USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 33:sc= 1.14 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -119:sc= -0.113 (180deg=-0.644) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= -1.94 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.97! C(o=-3!,f=-3.9!) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= 0 F(o=-4,f=-3) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.091 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 103:sc= 0.0453 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 159:sc= 0.716 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.253) USER MOD Single : A 14 THR OG1 : rot -110:sc= -3.8! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 143:sc= 0.624 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 60:sc= 0.431 USER MOD Single : A 31 THR OG1 : rot -114:sc= 0.589 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.24 USER MOD Single : A 40 THR OG1 : rot -50:sc= -0.503 USER MOD Single : A 41 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.046) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -10.5! C(o=-10!,f=-14!) USER MOD Single : A 56 MET CE :methyl 142:sc=-0.000563 (180deg=-0.969) USER MOD Single : A 60 ASN : amide:sc= 0.628 K(o=0.63,f=-2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -3:sc= 0.934 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -10.7! C(o=-11!,f=-10!) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0.298 (180deg=0.291) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-2.7!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -0.0487 (180deg=-0.357) USER MOD Single : A 99 ASN : amide:sc= 0.0418 X(o=0.042,f=0) USER MOD Single : A 102 THR OG1 : rot 98:sc= -0.364 USER MOD Single : A 106 MET CE :methyl -147:sc= -7.16! (180deg=-9.2!) USER MOD Single : A 119 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 121 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.95) USER MOD Single : A 124 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.5) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -155:sc= -1.5 (180deg=-3.37!) USER MOD Single : A 133 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.019) USER MOD Single : A 134 THR OG1 : rot 70:sc= 0.212 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.563 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.955 -11.917 12.630 1.00 0.00 N ATOM 2 CA GLY A 1 19.984 -11.043 13.162 1.00 0.00 C ATOM 3 C GLY A 1 21.022 -10.669 12.123 1.00 0.00 C ATOM 4 O GLY A 1 20.919 -11.067 10.962 1.00 0.00 O ATOM 0 H1 GLY A 1 18.046 -11.413 12.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.209 -12.205 11.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.871 -12.761 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.521 -10.136 13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.476 -11.535 14.001 1.00 0.00 H new ATOM 8 N SER A 2 22.023 -9.900 12.539 1.00 0.00 N ATOM 9 CA SER A 2 23.081 -9.468 11.633 1.00 0.00 C ATOM 10 C SER A 2 24.290 -8.959 12.414 1.00 0.00 C ATOM 11 O SER A 2 24.149 -8.393 13.498 1.00 0.00 O ATOM 12 CB SER A 2 22.565 -8.372 10.699 1.00 0.00 C ATOM 13 OG SER A 2 23.344 -8.301 9.517 1.00 0.00 O ATOM 0 H SER A 2 22.124 -9.564 13.497 1.00 0.00 H new ATOM 0 HA SER A 2 23.390 -10.327 11.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.524 -8.570 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.589 -7.411 11.213 1.00 0.00 H new ATOM 0 HG SER A 2 22.993 -7.594 8.936 1.00 0.00 H new ATOM 19 N SER A 3 25.477 -9.166 11.854 1.00 0.00 N ATOM 20 CA SER A 3 26.712 -8.732 12.498 1.00 0.00 C ATOM 21 C SER A 3 26.711 -7.222 12.714 1.00 0.00 C ATOM 22 O SER A 3 26.984 -6.740 13.812 1.00 0.00 O ATOM 23 CB SER A 3 27.922 -9.138 11.655 1.00 0.00 C ATOM 24 OG SER A 3 28.310 -10.473 11.928 1.00 0.00 O ATOM 0 H SER A 3 25.610 -9.631 10.956 1.00 0.00 H new ATOM 0 HA SER A 3 26.776 -9.220 13.471 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.683 -9.035 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.754 -8.465 11.860 1.00 0.00 H new ATOM 0 HG SER A 3 29.084 -10.708 11.375 1.00 0.00 H new ATOM 30 N GLY A 4 26.401 -6.480 11.655 1.00 0.00 N ATOM 31 CA GLY A 4 26.370 -5.032 11.748 1.00 0.00 C ATOM 32 C GLY A 4 26.351 -4.364 10.387 1.00 0.00 C ATOM 33 O GLY A 4 27.354 -3.800 9.951 1.00 0.00 O ATOM 0 H GLY A 4 26.171 -6.856 10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.489 -4.726 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.241 -4.688 12.306 1.00 0.00 H new ATOM 37 N SER A 5 25.206 -4.429 9.714 1.00 0.00 N ATOM 38 CA SER A 5 25.062 -3.830 8.392 1.00 0.00 C ATOM 39 C SER A 5 24.978 -2.310 8.491 1.00 0.00 C ATOM 40 O SER A 5 24.342 -1.770 9.395 1.00 0.00 O ATOM 41 CB SER A 5 23.814 -4.377 7.695 1.00 0.00 C ATOM 42 OG SER A 5 22.645 -4.092 8.443 1.00 0.00 O ATOM 0 H SER A 5 24.365 -4.890 10.062 1.00 0.00 H new ATOM 0 HA SER A 5 25.942 -4.090 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.728 -3.940 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.911 -5.455 7.562 1.00 0.00 H new ATOM 0 HG SER A 5 22.166 -3.344 8.029 1.00 0.00 H new ATOM 48 N SER A 6 25.625 -1.626 7.553 1.00 0.00 N ATOM 49 CA SER A 6 25.628 -0.168 7.534 1.00 0.00 C ATOM 50 C SER A 6 24.225 0.375 7.285 1.00 0.00 C ATOM 51 O SER A 6 23.671 1.100 8.110 1.00 0.00 O ATOM 52 CB SER A 6 26.586 0.348 6.459 1.00 0.00 C ATOM 53 OG SER A 6 27.913 0.424 6.951 1.00 0.00 O ATOM 0 H SER A 6 26.154 -2.058 6.796 1.00 0.00 H new ATOM 0 HA SER A 6 25.966 0.182 8.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.554 -0.312 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.263 1.333 6.122 1.00 0.00 H new ATOM 0 HG SER A 6 28.506 0.755 6.244 1.00 0.00 H new ATOM 59 N GLY A 7 23.654 0.018 6.138 1.00 0.00 N ATOM 60 CA GLY A 7 22.320 0.477 5.798 1.00 0.00 C ATOM 61 C GLY A 7 21.250 -0.537 6.149 1.00 0.00 C ATOM 62 O GLY A 7 21.549 -1.601 6.694 1.00 0.00 O ATOM 0 H GLY A 7 24.092 -0.581 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.116 1.411 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.275 0.693 4.731 1.00 0.00 H new ATOM 66 N ILE A 8 20.001 -0.209 5.838 1.00 0.00 N ATOM 67 CA ILE A 8 18.884 -1.100 6.125 1.00 0.00 C ATOM 68 C ILE A 8 18.361 -1.754 4.850 1.00 0.00 C ATOM 69 O ILE A 8 18.214 -1.113 3.809 1.00 0.00 O ATOM 70 CB ILE A 8 17.729 -0.351 6.815 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.884 -0.419 8.335 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.389 -0.932 6.387 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.572 -0.318 9.082 1.00 0.00 C ATOM 0 H ILE A 8 19.737 0.667 5.387 1.00 0.00 H new ATOM 0 HA ILE A 8 19.260 -1.870 6.798 1.00 0.00 H new ATOM 0 HB ILE A 8 17.762 0.695 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.373 -1.356 8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.541 0.387 8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.583 -0.392 6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.279 -0.836 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.344 -1.985 6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.759 -0.373 10.154 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.091 0.631 8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.920 -1.139 8.784 1.00 0.00 H new ATOM 85 N PRO A 9 18.071 -3.061 4.932 1.00 0.00 N ATOM 86 CA PRO A 9 17.557 -3.830 3.795 1.00 0.00 C ATOM 87 C PRO A 9 16.061 -3.625 3.584 1.00 0.00 C ATOM 88 O PRO A 9 15.310 -3.428 4.540 1.00 0.00 O ATOM 89 CB PRO A 9 17.848 -5.281 4.187 1.00 0.00 C ATOM 90 CG PRO A 9 17.847 -5.278 5.677 1.00 0.00 C ATOM 91 CD PRO A 9 18.222 -3.888 6.140 1.00 0.00 C ATOM 0 HA PRO A 9 18.020 -3.527 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.090 -5.957 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.808 -5.613 3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.864 -5.555 6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.556 -6.012 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.570 -3.545 6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.242 -3.856 6.522 1.00 0.00 H new ATOM 99 N THR A 10 15.632 -3.673 2.327 1.00 0.00 N ATOM 100 CA THR A 10 14.226 -3.492 1.991 1.00 0.00 C ATOM 101 C THR A 10 13.783 -4.485 0.922 1.00 0.00 C ATOM 102 O THR A 10 14.592 -5.258 0.407 1.00 0.00 O ATOM 103 CB THR A 10 13.947 -2.061 1.494 1.00 0.00 C ATOM 104 OG1 THR A 10 14.630 -1.830 0.257 1.00 0.00 O ATOM 105 CG2 THR A 10 14.391 -1.034 2.524 1.00 0.00 C ATOM 0 H THR A 10 16.239 -3.836 1.524 1.00 0.00 H new ATOM 0 HA THR A 10 13.658 -3.669 2.904 1.00 0.00 H new ATOM 0 HB THR A 10 12.873 -1.957 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.446 -0.919 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.184 -0.031 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.847 -1.194 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.461 -1.140 2.706 1.00 0.00 H new ATOM 113 N CYS A 11 12.497 -4.457 0.592 1.00 0.00 N ATOM 114 CA CYS A 11 11.947 -5.356 -0.417 1.00 0.00 C ATOM 115 C CYS A 11 10.757 -4.715 -1.124 1.00 0.00 C ATOM 116 O CYS A 11 10.387 -3.577 -0.835 1.00 0.00 O ATOM 117 CB CYS A 11 11.523 -6.678 0.224 1.00 0.00 C ATOM 118 SG CYS A 11 12.823 -7.934 0.253 1.00 0.00 S ATOM 0 H CYS A 11 11.816 -3.822 1.008 1.00 0.00 H new ATOM 0 HA CYS A 11 12.724 -5.552 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.196 -6.486 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.663 -7.073 -0.317 1.00 0.00 H new ATOM 0 HG CYS A 11 12.555 -8.815 1.171 1.00 0.00 H new ATOM 124 N LYS A 12 10.162 -5.453 -2.055 1.00 0.00 N ATOM 125 CA LYS A 12 9.014 -4.959 -2.806 1.00 0.00 C ATOM 126 C LYS A 12 7.724 -5.611 -2.319 1.00 0.00 C ATOM 127 O LYS A 12 7.726 -6.762 -1.882 1.00 0.00 O ATOM 128 CB LYS A 12 9.202 -5.228 -4.301 1.00 0.00 C ATOM 129 CG LYS A 12 7.934 -5.040 -5.116 1.00 0.00 C ATOM 130 CD LYS A 12 8.111 -5.533 -6.543 1.00 0.00 C ATOM 131 CE LYS A 12 7.630 -6.968 -6.700 1.00 0.00 C ATOM 132 NZ LYS A 12 8.734 -7.948 -6.505 1.00 0.00 N ATOM 0 H LYS A 12 10.456 -6.396 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 12 8.940 -3.884 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.974 -4.563 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.563 -6.248 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.113 -5.579 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.659 -3.985 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.558 -4.886 -7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.162 -5.467 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.837 -7.166 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.199 -7.100 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.452 -8.871 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.587 -7.612 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.935 -8.047 -5.489 1.00 0.00 H new ATOM 146 N ILE A 13 6.625 -4.869 -2.399 1.00 0.00 N ATOM 147 CA ILE A 13 5.328 -5.377 -1.969 1.00 0.00 C ATOM 148 C ILE A 13 4.267 -5.153 -3.041 1.00 0.00 C ATOM 149 O ILE A 13 3.373 -4.322 -2.882 1.00 0.00 O ATOM 150 CB ILE A 13 4.868 -4.710 -0.660 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.873 -4.987 0.460 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.483 -5.206 -0.271 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.051 -6.458 0.762 1.00 0.00 C ATOM 0 H ILE A 13 6.607 -3.914 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 13 5.449 -6.447 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 13 4.816 -3.633 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.838 -4.562 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.546 -4.476 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.172 -4.725 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.774 -4.962 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.510 -6.286 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.777 -6.579 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.096 -6.885 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.408 -6.972 -0.130 1.00 0.00 H new ATOM 165 N THR A 14 4.370 -5.903 -4.135 1.00 0.00 N ATOM 166 CA THR A 14 3.419 -5.787 -5.233 1.00 0.00 C ATOM 167 C THR A 14 2.203 -6.677 -5.004 1.00 0.00 C ATOM 168 O THR A 14 2.313 -7.904 -4.984 1.00 0.00 O ATOM 169 CB THR A 14 4.068 -6.161 -6.579 1.00 0.00 C ATOM 170 OG1 THR A 14 5.377 -5.588 -6.669 1.00 0.00 O ATOM 171 CG2 THR A 14 3.217 -5.678 -7.744 1.00 0.00 C ATOM 0 H THR A 14 5.103 -6.597 -4.283 1.00 0.00 H new ATOM 0 HA THR A 14 3.101 -4.745 -5.267 1.00 0.00 H new ATOM 0 HB THR A 14 4.143 -7.247 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.375 -4.872 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.696 -5.954 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.231 -6.139 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.113 -4.594 -7.694 1.00 0.00 H new ATOM 179 N LEU A 15 1.043 -6.052 -4.832 1.00 0.00 N ATOM 180 CA LEU A 15 -0.196 -6.788 -4.604 1.00 0.00 C ATOM 181 C LEU A 15 -1.243 -6.429 -5.653 1.00 0.00 C ATOM 182 O LEU A 15 -1.424 -5.259 -5.991 1.00 0.00 O ATOM 183 CB LEU A 15 -0.738 -6.493 -3.204 1.00 0.00 C ATOM 184 CG LEU A 15 0.267 -6.608 -2.058 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.134 -5.704 -0.903 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.380 -8.053 -1.591 1.00 0.00 C ATOM 0 H LEU A 15 0.935 -5.038 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 15 0.023 -7.853 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.149 -5.483 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.565 -7.175 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 15 1.243 -6.286 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.593 -5.800 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.164 -4.669 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.120 -5.994 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.100 -8.116 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.593 -8.401 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.715 -8.678 -2.419 1.00 0.00 H new ATOM 198 N LYS A 16 -1.932 -7.443 -6.165 1.00 0.00 N ATOM 199 CA LYS A 16 -2.964 -7.236 -7.174 1.00 0.00 C ATOM 200 C LYS A 16 -4.257 -7.943 -6.782 1.00 0.00 C ATOM 201 O LYS A 16 -4.349 -9.169 -6.849 1.00 0.00 O ATOM 202 CB LYS A 16 -2.485 -7.744 -8.536 1.00 0.00 C ATOM 203 CG LYS A 16 -1.731 -6.701 -9.343 1.00 0.00 C ATOM 204 CD LYS A 16 -1.212 -7.275 -10.650 1.00 0.00 C ATOM 205 CE LYS A 16 0.062 -8.080 -10.439 1.00 0.00 C ATOM 206 NZ LYS A 16 1.199 -7.216 -10.015 1.00 0.00 N ATOM 0 H LYS A 16 -1.794 -8.418 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.161 -6.166 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.841 -8.610 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.346 -8.084 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.388 -5.856 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.896 -6.319 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.976 -7.911 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.019 -6.465 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.113 -8.846 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.323 -8.596 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.961 -7.273 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.875 -6.231 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.556 -7.540 -9.093 1.00 0.00 H new ATOM 220 N GLU A 17 -5.254 -7.163 -6.375 1.00 0.00 N ATOM 221 CA GLU A 17 -6.542 -7.717 -5.974 1.00 0.00 C ATOM 222 C GLU A 17 -7.677 -7.094 -6.782 1.00 0.00 C ATOM 223 O GLU A 17 -7.560 -5.974 -7.279 1.00 0.00 O ATOM 224 CB GLU A 17 -6.778 -7.485 -4.480 1.00 0.00 C ATOM 225 CG GLU A 17 -7.652 -8.545 -3.831 1.00 0.00 C ATOM 226 CD GLU A 17 -7.209 -9.955 -4.170 1.00 0.00 C ATOM 227 OE1 GLU A 17 -5.993 -10.166 -4.355 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.080 -10.847 -4.249 1.00 0.00 O ATOM 0 H GLU A 17 -5.194 -6.147 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.525 -8.789 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.816 -7.456 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.242 -6.508 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.634 -8.413 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.684 -8.406 -4.152 1.00 0.00 H new ATOM 235 N THR A 18 -8.777 -7.830 -6.909 1.00 0.00 N ATOM 236 CA THR A 18 -9.933 -7.353 -7.658 1.00 0.00 C ATOM 237 C THR A 18 -11.059 -6.932 -6.721 1.00 0.00 C ATOM 238 O THR A 18 -11.375 -7.633 -5.759 1.00 0.00 O ATOM 239 CB THR A 18 -10.460 -8.430 -8.624 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.366 -9.063 -9.297 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.408 -7.823 -9.647 1.00 0.00 C ATOM 0 H THR A 18 -8.891 -8.759 -6.503 1.00 0.00 H new ATOM 0 HA THR A 18 -9.602 -6.489 -8.235 1.00 0.00 H new ATOM 0 HB THR A 18 -11.006 -9.172 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.710 -9.748 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.767 -8.603 -10.318 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.255 -7.368 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.882 -7.062 -10.224 1.00 0.00 H new ATOM 249 N PHE A 19 -11.661 -5.782 -7.006 1.00 0.00 N ATOM 250 CA PHE A 19 -12.753 -5.267 -6.188 1.00 0.00 C ATOM 251 C PHE A 19 -14.069 -5.290 -6.960 1.00 0.00 C ATOM 252 O PHE A 19 -14.108 -4.986 -8.153 1.00 0.00 O ATOM 253 CB PHE A 19 -12.444 -3.841 -5.727 1.00 0.00 C ATOM 254 CG PHE A 19 -11.329 -3.763 -4.725 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.016 -3.982 -5.111 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.592 -3.472 -3.396 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.988 -3.912 -4.191 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.568 -3.400 -2.471 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.264 -3.619 -2.869 1.00 0.00 C ATOM 0 H PHE A 19 -11.411 -5.189 -7.797 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.854 -5.911 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.184 -3.235 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.344 -3.405 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.794 -4.210 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.610 -3.299 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.969 -4.086 -4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.787 -3.173 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.461 -3.561 -2.149 1.00 0.00 H new ATOM 269 N LEU A 20 -15.145 -5.654 -6.272 1.00 0.00 N ATOM 270 CA LEU A 20 -16.465 -5.718 -6.891 1.00 0.00 C ATOM 271 C LEU A 20 -17.096 -4.332 -6.973 1.00 0.00 C ATOM 272 O LEU A 20 -18.299 -4.172 -6.761 1.00 0.00 O ATOM 273 CB LEU A 20 -17.375 -6.661 -6.102 1.00 0.00 C ATOM 274 CG LEU A 20 -17.090 -8.155 -6.257 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.437 -8.622 -7.662 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.633 -8.456 -5.937 1.00 0.00 C ATOM 0 H LEU A 20 -15.130 -5.910 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.346 -6.102 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.301 -6.405 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.406 -6.475 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.716 -8.700 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.227 -9.688 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.495 -8.442 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.838 -8.071 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.448 -9.524 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.989 -7.900 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.417 -8.159 -4.911 1.00 0.00 H new ATOM 288 N THR A 21 -16.277 -3.332 -7.283 1.00 0.00 N ATOM 289 CA THR A 21 -16.755 -1.959 -7.394 1.00 0.00 C ATOM 290 C THR A 21 -16.054 -1.223 -8.529 1.00 0.00 C ATOM 291 O THR A 21 -15.042 -1.689 -9.052 1.00 0.00 O ATOM 292 CB THR A 21 -16.539 -1.182 -6.082 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.464 -0.092 -6.000 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.115 -0.653 -5.995 1.00 0.00 C ATOM 0 H THR A 21 -15.279 -3.447 -7.462 1.00 0.00 H new ATOM 0 HA THR A 21 -17.823 -2.012 -7.605 1.00 0.00 H new ATOM 0 HB THR A 21 -16.708 -1.865 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.757 0.019 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.986 -0.108 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.414 -1.487 -6.028 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.923 0.015 -6.834 1.00 0.00 H new ATOM 302 N SER A 22 -16.598 -0.070 -8.906 1.00 0.00 N ATOM 303 CA SER A 22 -16.025 0.730 -9.982 1.00 0.00 C ATOM 304 C SER A 22 -14.857 1.569 -9.473 1.00 0.00 C ATOM 305 O SER A 22 -14.805 1.965 -8.308 1.00 0.00 O ATOM 306 CB SER A 22 -17.093 1.640 -10.593 1.00 0.00 C ATOM 307 OG SER A 22 -18.163 0.881 -11.130 1.00 0.00 O ATOM 0 H SER A 22 -17.435 0.331 -8.482 1.00 0.00 H new ATOM 0 HA SER A 22 -15.654 0.050 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.473 2.322 -9.832 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.648 2.253 -11.377 1.00 0.00 H new ATOM 0 HG SER A 22 -18.833 1.485 -11.513 1.00 0.00 H new ATOM 313 N PRO A 23 -13.896 1.848 -10.366 1.00 0.00 N ATOM 314 CA PRO A 23 -12.711 2.643 -10.032 1.00 0.00 C ATOM 315 C PRO A 23 -13.064 3.927 -9.289 1.00 0.00 C ATOM 316 O PRO A 23 -12.654 4.125 -8.146 1.00 0.00 O ATOM 317 CB PRO A 23 -12.103 2.966 -11.399 1.00 0.00 C ATOM 318 CG PRO A 23 -12.563 1.862 -12.288 1.00 0.00 C ATOM 319 CD PRO A 23 -13.893 1.408 -11.772 1.00 0.00 C ATOM 0 HA PRO A 23 -12.035 2.106 -9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.442 3.936 -11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.015 3.007 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.647 2.207 -13.319 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.847 1.040 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.713 1.856 -12.333 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.005 0.327 -11.853 1.00 0.00 H new ATOM 327 N GLU A 24 -13.828 4.794 -9.946 1.00 0.00 N ATOM 328 CA GLU A 24 -14.235 6.059 -9.347 1.00 0.00 C ATOM 329 C GLU A 24 -14.605 5.871 -7.878 1.00 0.00 C ATOM 330 O GLU A 24 -14.324 6.730 -7.042 1.00 0.00 O ATOM 331 CB GLU A 24 -15.421 6.652 -10.110 1.00 0.00 C ATOM 332 CG GLU A 24 -16.359 7.470 -9.238 1.00 0.00 C ATOM 333 CD GLU A 24 -17.083 8.553 -10.015 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.558 8.264 -11.133 1.00 0.00 O ATOM 335 OE2 GLU A 24 -17.175 9.688 -9.503 1.00 0.00 O ATOM 0 H GLU A 24 -14.177 4.643 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.392 6.748 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.045 7.283 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.984 5.843 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.092 6.807 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.790 7.927 -8.429 1.00 0.00 H new ATOM 342 N GLU A 25 -15.236 4.742 -7.572 1.00 0.00 N ATOM 343 CA GLU A 25 -15.645 4.442 -6.205 1.00 0.00 C ATOM 344 C GLU A 25 -14.429 4.240 -5.306 1.00 0.00 C ATOM 345 O GLU A 25 -14.153 5.054 -4.423 1.00 0.00 O ATOM 346 CB GLU A 25 -16.528 3.192 -6.176 1.00 0.00 C ATOM 347 CG GLU A 25 -17.553 3.198 -5.055 1.00 0.00 C ATOM 348 CD GLU A 25 -18.828 3.926 -5.434 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.802 5.173 -5.496 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.851 3.250 -5.669 1.00 0.00 O ATOM 0 H GLU A 25 -15.475 4.020 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.217 5.291 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.046 3.101 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.894 2.312 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.793 2.170 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.119 3.669 -4.173 1.00 0.00 H new ATOM 357 N LEU A 26 -13.705 3.150 -5.534 1.00 0.00 N ATOM 358 CA LEU A 26 -12.519 2.839 -4.745 1.00 0.00 C ATOM 359 C LEU A 26 -11.525 3.996 -4.777 1.00 0.00 C ATOM 360 O LEU A 26 -10.674 4.122 -3.896 1.00 0.00 O ATOM 361 CB LEU A 26 -11.853 1.565 -5.268 1.00 0.00 C ATOM 362 CG LEU A 26 -10.895 0.864 -4.304 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.641 0.377 -3.071 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.194 -0.295 -4.998 1.00 0.00 C ATOM 0 H LEU A 26 -13.919 2.466 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.831 2.680 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.635 0.859 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.305 1.812 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.139 1.582 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.944 -0.119 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.096 1.227 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.419 -0.326 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.516 -0.782 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.936 -1.014 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.627 0.080 -5.850 1.00 0.00 H new ATOM 376 N TYR A 27 -11.640 4.839 -5.797 1.00 0.00 N ATOM 377 CA TYR A 27 -10.752 5.986 -5.945 1.00 0.00 C ATOM 378 C TYR A 27 -10.924 6.961 -4.784 1.00 0.00 C ATOM 379 O TYR A 27 -10.090 7.841 -4.570 1.00 0.00 O ATOM 380 CB TYR A 27 -11.023 6.701 -7.270 1.00 0.00 C ATOM 381 CG TYR A 27 -10.049 7.819 -7.565 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.683 7.643 -7.381 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.494 9.051 -8.027 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.789 8.661 -7.649 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.607 10.075 -8.299 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.256 9.875 -8.108 1.00 0.00 C ATOM 387 OH TYR A 27 -7.370 10.893 -8.377 1.00 0.00 O ATOM 0 H TYR A 27 -12.340 4.750 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.725 5.621 -5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.984 5.973 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.035 7.107 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.314 6.694 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.552 9.211 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.730 8.507 -7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.970 11.026 -8.659 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.741 10.605 -9.071 1.00 0.00 H new ATOM 397 N ARG A 28 -12.010 6.796 -4.037 1.00 0.00 N ATOM 398 CA ARG A 28 -12.293 7.661 -2.898 1.00 0.00 C ATOM 399 C ARG A 28 -11.858 7.000 -1.593 1.00 0.00 C ATOM 400 O ARG A 28 -11.160 7.607 -0.780 1.00 0.00 O ATOM 401 CB ARG A 28 -13.785 7.993 -2.841 1.00 0.00 C ATOM 402 CG ARG A 28 -14.429 8.142 -4.209 1.00 0.00 C ATOM 403 CD ARG A 28 -15.900 7.759 -4.178 1.00 0.00 C ATOM 404 NE ARG A 28 -16.757 8.900 -3.868 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.012 8.785 -3.449 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.553 7.585 -3.289 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.728 9.871 -3.188 1.00 0.00 N ATOM 0 H ARG A 28 -12.709 6.071 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.727 8.584 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.302 7.208 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.921 8.919 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.328 9.172 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.904 7.515 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.186 7.343 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.055 6.977 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.370 9.837 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.005 6.748 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.517 7.499 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.315 10.796 -3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.692 9.781 -2.866 1.00 0.00 H new ATOM 421 N VAL A 29 -12.276 5.753 -1.398 1.00 0.00 N ATOM 422 CA VAL A 29 -11.929 5.010 -0.193 1.00 0.00 C ATOM 423 C VAL A 29 -10.454 5.183 0.154 1.00 0.00 C ATOM 424 O VAL A 29 -10.048 4.992 1.300 1.00 0.00 O ATOM 425 CB VAL A 29 -12.235 3.509 -0.351 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.834 2.747 0.902 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.709 3.297 -0.665 1.00 0.00 C ATOM 0 H VAL A 29 -12.856 5.236 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.539 5.414 0.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.649 3.122 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.058 1.688 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.766 2.873 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.391 3.133 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.908 2.231 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.315 3.699 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.961 3.809 -1.594 1.00 0.00 H new ATOM 437 N PHE A 30 -9.656 5.546 -0.845 1.00 0.00 N ATOM 438 CA PHE A 30 -8.225 5.744 -0.646 1.00 0.00 C ATOM 439 C PHE A 30 -7.882 7.230 -0.608 1.00 0.00 C ATOM 440 O PHE A 30 -6.879 7.633 -0.018 1.00 0.00 O ATOM 441 CB PHE A 30 -7.433 5.054 -1.759 1.00 0.00 C ATOM 442 CG PHE A 30 -7.309 3.569 -1.574 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.374 2.730 -1.859 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.126 3.011 -1.115 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.263 1.363 -1.690 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.009 1.645 -0.945 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.079 0.819 -1.231 1.00 0.00 C ATOM 0 H PHE A 30 -9.976 5.709 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.952 5.301 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.916 5.254 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.435 5.491 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.302 3.149 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.286 3.651 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.101 0.721 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.081 1.223 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.990 -0.249 -1.096 1.00 0.00 H new ATOM 457 N THR A 31 -8.721 8.042 -1.244 1.00 0.00 N ATOM 458 CA THR A 31 -8.507 9.483 -1.286 1.00 0.00 C ATOM 459 C THR A 31 -9.554 10.218 -0.457 1.00 0.00 C ATOM 460 O THR A 31 -9.827 11.397 -0.685 1.00 0.00 O ATOM 461 CB THR A 31 -8.546 10.015 -2.731 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.887 9.974 -3.232 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.637 9.195 -3.634 1.00 0.00 C ATOM 0 H THR A 31 -9.556 7.725 -1.737 1.00 0.00 H new ATOM 0 HA THR A 31 -7.519 9.668 -0.865 1.00 0.00 H new ATOM 0 HB THR A 31 -8.192 11.046 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.942 9.327 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.681 9.589 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.612 9.252 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.966 8.156 -3.634 1.00 0.00 H new ATOM 471 N THR A 32 -10.139 9.515 0.508 1.00 0.00 N ATOM 472 CA THR A 32 -11.156 10.101 1.371 1.00 0.00 C ATOM 473 C THR A 32 -10.978 9.650 2.817 1.00 0.00 C ATOM 474 O THR A 32 -11.272 8.505 3.159 1.00 0.00 O ATOM 475 CB THR A 32 -12.575 9.729 0.901 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.711 9.992 -0.500 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.625 10.513 1.673 1.00 0.00 C ATOM 0 H THR A 32 -9.925 8.539 0.711 1.00 0.00 H new ATOM 0 HA THR A 32 -11.034 11.183 1.313 1.00 0.00 H new ATOM 0 HB THR A 32 -12.728 8.666 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.597 10.373 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.619 10.233 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.538 10.288 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.472 11.580 1.514 1.00 0.00 H new ATOM 485 N GLN A 33 -10.496 10.558 3.659 1.00 0.00 N ATOM 486 CA GLN A 33 -10.279 10.251 5.068 1.00 0.00 C ATOM 487 C GLN A 33 -11.456 9.471 5.643 1.00 0.00 C ATOM 488 O GLN A 33 -11.312 8.314 6.038 1.00 0.00 O ATOM 489 CB GLN A 33 -10.068 11.540 5.866 1.00 0.00 C ATOM 490 CG GLN A 33 -9.912 11.312 7.360 1.00 0.00 C ATOM 491 CD GLN A 33 -9.516 12.572 8.105 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.207 13.596 7.495 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.524 12.503 9.431 1.00 0.00 N ATOM 0 H GLN A 33 -10.249 11.511 3.391 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.385 9.633 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.180 12.049 5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.914 12.206 5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.850 10.934 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.159 10.542 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.787 11.633 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.267 13.320 9.986 1.00 0.00 H new ATOM 502 N GLU A 34 -12.620 10.112 5.688 1.00 0.00 N ATOM 503 CA GLU A 34 -13.821 9.477 6.217 1.00 0.00 C ATOM 504 C GLU A 34 -13.900 8.016 5.782 1.00 0.00 C ATOM 505 O GLU A 34 -13.885 7.107 6.614 1.00 0.00 O ATOM 506 CB GLU A 34 -15.069 10.227 5.749 1.00 0.00 C ATOM 507 CG GLU A 34 -16.371 9.581 6.194 1.00 0.00 C ATOM 508 CD GLU A 34 -16.849 10.096 7.538 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.598 11.281 7.842 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.473 9.314 8.285 1.00 0.00 O ATOM 0 H GLU A 34 -12.756 11.070 5.365 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.771 9.513 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.032 11.248 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.058 10.290 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.139 9.767 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.236 8.501 6.250 1.00 0.00 H new ATOM 517 N LEU A 35 -13.986 7.798 4.475 1.00 0.00 N ATOM 518 CA LEU A 35 -14.068 6.448 3.928 1.00 0.00 C ATOM 519 C LEU A 35 -13.010 5.543 4.551 1.00 0.00 C ATOM 520 O LEU A 35 -13.250 4.357 4.782 1.00 0.00 O ATOM 521 CB LEU A 35 -13.897 6.481 2.408 1.00 0.00 C ATOM 522 CG LEU A 35 -14.890 7.353 1.639 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.693 7.192 0.140 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.319 7.006 2.031 1.00 0.00 C ATOM 0 H LEU A 35 -14.001 8.539 3.774 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.052 6.044 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.889 6.829 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.973 5.461 2.032 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.706 8.395 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.409 7.820 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.679 7.491 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.850 6.150 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.012 7.636 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.515 5.959 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.454 7.174 3.099 1.00 0.00 H new ATOM 536 N VAL A 36 -11.839 6.110 4.823 1.00 0.00 N ATOM 537 CA VAL A 36 -10.745 5.355 5.422 1.00 0.00 C ATOM 538 C VAL A 36 -11.090 4.922 6.843 1.00 0.00 C ATOM 539 O VAL A 36 -10.893 3.766 7.214 1.00 0.00 O ATOM 540 CB VAL A 36 -9.444 6.179 5.450 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.274 5.315 5.896 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.174 6.793 4.085 1.00 0.00 C ATOM 0 H VAL A 36 -11.624 7.090 4.638 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.593 4.471 4.802 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.562 6.988 6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.364 5.914 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.468 4.927 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.151 4.483 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.251 7.372 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.076 6.001 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.002 7.447 3.810 1.00 0.00 H new ATOM 552 N GLN A 37 -11.606 5.859 7.632 1.00 0.00 N ATOM 553 CA GLN A 37 -11.978 5.574 9.013 1.00 0.00 C ATOM 554 C GLN A 37 -13.150 4.599 9.071 1.00 0.00 C ATOM 555 O GLN A 37 -13.562 4.173 10.149 1.00 0.00 O ATOM 556 CB GLN A 37 -12.339 6.868 9.744 1.00 0.00 C ATOM 557 CG GLN A 37 -11.153 7.536 10.420 1.00 0.00 C ATOM 558 CD GLN A 37 -11.482 8.921 10.940 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.496 9.903 10.046 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.722 9.108 12.134 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.776 6.821 7.339 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.121 5.114 9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.782 7.566 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.100 6.652 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.813 6.913 11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.327 7.605 9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.700 8.325 12.787 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.942 10.046 12.469 1.00 0.00 H new ATOM 569 N ALA A 38 -13.682 4.252 7.903 1.00 0.00 N ATOM 570 CA ALA A 38 -14.805 3.326 7.821 1.00 0.00 C ATOM 571 C ALA A 38 -14.322 1.881 7.754 1.00 0.00 C ATOM 572 O ALA A 38 -14.899 0.994 8.382 1.00 0.00 O ATOM 573 CB ALA A 38 -15.671 3.653 6.613 1.00 0.00 C ATOM 0 H ALA A 38 -13.353 4.598 7.001 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.404 3.439 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.506 2.954 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.054 4.669 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.074 3.570 5.705 1.00 0.00 H new ATOM 579 N PHE A 39 -13.262 1.652 6.986 1.00 0.00 N ATOM 580 CA PHE A 39 -12.702 0.314 6.835 1.00 0.00 C ATOM 581 C PHE A 39 -11.515 0.112 7.773 1.00 0.00 C ATOM 582 O PHE A 39 -10.999 -0.998 7.910 1.00 0.00 O ATOM 583 CB PHE A 39 -12.268 0.080 5.387 1.00 0.00 C ATOM 584 CG PHE A 39 -10.964 0.738 5.038 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.766 0.219 5.501 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.936 1.875 4.246 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.564 0.823 5.182 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.738 2.483 3.924 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.550 1.955 4.391 1.00 0.00 C ATOM 0 H PHE A 39 -12.774 2.376 6.459 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.476 -0.408 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.183 -0.992 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.044 0.453 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.771 -0.667 6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.862 2.291 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.637 0.410 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.730 3.370 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.612 2.427 4.138 1.00 0.00 H new ATOM 599 N THR A 40 -11.086 1.193 8.416 1.00 0.00 N ATOM 600 CA THR A 40 -9.959 1.136 9.339 1.00 0.00 C ATOM 601 C THR A 40 -10.429 1.226 10.786 1.00 0.00 C ATOM 602 O THR A 40 -9.699 0.865 11.710 1.00 0.00 O ATOM 603 CB THR A 40 -8.952 2.269 9.066 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.569 3.540 9.300 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.439 2.205 7.635 1.00 0.00 C ATOM 0 H THR A 40 -11.502 2.119 8.315 1.00 0.00 H new ATOM 0 HA THR A 40 -9.467 0.177 9.179 1.00 0.00 H new ATOM 0 HB THR A 40 -8.107 2.145 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.425 3.581 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.729 3.015 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.944 1.248 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.276 2.306 6.944 1.00 0.00 H new ATOM 613 N HIS A 41 -11.652 1.710 10.977 1.00 0.00 N ATOM 614 CA HIS A 41 -12.220 1.846 12.314 1.00 0.00 C ATOM 615 C HIS A 41 -11.175 2.365 13.298 1.00 0.00 C ATOM 616 O HIS A 41 -11.076 1.881 14.425 1.00 0.00 O ATOM 617 CB HIS A 41 -12.770 0.504 12.797 1.00 0.00 C ATOM 618 CG HIS A 41 -13.535 -0.242 11.747 1.00 0.00 C ATOM 619 ND1 HIS A 41 -14.912 -0.260 11.691 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.107 -0.997 10.709 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.299 -0.996 10.664 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.222 -1.455 10.051 1.00 0.00 N ATOM 0 H HIS A 41 -12.269 2.014 10.224 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.036 2.567 12.263 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.942 -0.116 13.141 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.419 0.674 13.656 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.079 -1.201 10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.321 -1.189 10.375 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.219 -2.052 9.224 1.00 0.00 H new ATOM 631 N ALA A 42 -10.397 3.350 12.863 1.00 0.00 N ATOM 632 CA ALA A 42 -9.361 3.934 13.705 1.00 0.00 C ATOM 633 C ALA A 42 -9.043 5.362 13.274 1.00 0.00 C ATOM 634 O ALA A 42 -9.196 5.733 12.110 1.00 0.00 O ATOM 635 CB ALA A 42 -8.104 3.077 13.667 1.00 0.00 C ATOM 0 H ALA A 42 -10.465 3.761 11.932 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.735 3.966 14.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.339 3.525 14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.335 2.076 14.031 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.737 3.015 12.643 1.00 0.00 H new ATOM 641 N PRO A 43 -8.589 6.183 14.232 1.00 0.00 N ATOM 642 CA PRO A 43 -8.240 7.584 13.974 1.00 0.00 C ATOM 643 C PRO A 43 -7.353 7.743 12.744 1.00 0.00 C ATOM 644 O PRO A 43 -6.127 7.701 12.841 1.00 0.00 O ATOM 645 CB PRO A 43 -7.481 7.998 15.238 1.00 0.00 C ATOM 646 CG PRO A 43 -7.999 7.096 16.304 1.00 0.00 C ATOM 647 CD PRO A 43 -8.381 5.809 15.641 1.00 0.00 C ATOM 0 HA PRO A 43 -9.121 8.193 13.770 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.405 7.882 15.109 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.661 9.045 15.483 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.240 6.926 17.068 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.859 7.543 16.803 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.597 5.059 15.743 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.285 5.387 16.080 1.00 0.00 H new ATOM 655 N ALA A 44 -7.982 7.927 11.587 1.00 0.00 N ATOM 656 CA ALA A 44 -7.249 8.096 10.338 1.00 0.00 C ATOM 657 C ALA A 44 -7.424 9.506 9.785 1.00 0.00 C ATOM 658 O ALA A 44 -8.518 10.070 9.828 1.00 0.00 O ATOM 659 CB ALA A 44 -7.705 7.065 9.316 1.00 0.00 C ATOM 0 H ALA A 44 -8.997 7.963 11.489 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.189 7.944 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.150 7.202 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.522 6.063 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.770 7.190 9.123 1.00 0.00 H new ATOM 665 N THR A 45 -6.339 10.072 9.266 1.00 0.00 N ATOM 666 CA THR A 45 -6.373 11.417 8.706 1.00 0.00 C ATOM 667 C THR A 45 -5.837 11.432 7.279 1.00 0.00 C ATOM 668 O THR A 45 -4.625 11.431 7.060 1.00 0.00 O ATOM 669 CB THR A 45 -5.552 12.402 9.561 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.102 12.481 10.881 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.538 13.785 8.928 1.00 0.00 C ATOM 0 H THR A 45 -5.426 9.620 9.222 1.00 0.00 H new ATOM 0 HA THR A 45 -7.416 11.732 8.703 1.00 0.00 H new ATOM 0 HB THR A 45 -4.527 12.035 9.617 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.574 13.107 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.953 14.463 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.092 13.726 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.559 14.158 8.846 1.00 0.00 H new ATOM 679 N LEU A 46 -6.747 11.447 6.311 1.00 0.00 N ATOM 680 CA LEU A 46 -6.365 11.463 4.903 1.00 0.00 C ATOM 681 C LEU A 46 -6.633 12.831 4.282 1.00 0.00 C ATOM 682 O LEU A 46 -7.653 13.460 4.561 1.00 0.00 O ATOM 683 CB LEU A 46 -7.129 10.383 4.135 1.00 0.00 C ATOM 684 CG LEU A 46 -6.466 9.875 2.854 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.750 8.394 2.658 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.945 10.675 1.652 1.00 0.00 C ATOM 0 H LEU A 46 -7.754 11.448 6.475 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.296 11.258 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.286 9.534 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.114 10.774 3.880 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.388 10.009 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.271 8.050 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.357 7.833 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.826 8.236 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.463 10.300 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.026 10.574 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.690 11.726 1.789 1.00 0.00 H new ATOM 698 N GLU A 47 -5.711 13.282 3.438 1.00 0.00 N ATOM 699 CA GLU A 47 -5.849 14.575 2.777 1.00 0.00 C ATOM 700 C GLU A 47 -5.582 14.451 1.279 1.00 0.00 C ATOM 701 O GLU A 47 -4.432 14.463 0.840 1.00 0.00 O ATOM 702 CB GLU A 47 -4.890 15.594 3.394 1.00 0.00 C ATOM 703 CG GLU A 47 -5.177 15.892 4.856 1.00 0.00 C ATOM 704 CD GLU A 47 -6.226 16.972 5.036 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.095 17.110 4.150 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.178 17.680 6.064 1.00 0.00 O ATOM 0 H GLU A 47 -4.861 12.772 3.196 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.873 14.919 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.869 15.222 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.944 16.522 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.512 14.980 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.255 16.201 5.348 1.00 0.00 H new ATOM 713 N ALA A 48 -6.652 14.330 0.501 1.00 0.00 N ATOM 714 CA ALA A 48 -6.534 14.206 -0.946 1.00 0.00 C ATOM 715 C ALA A 48 -5.898 15.451 -1.555 1.00 0.00 C ATOM 716 O ALA A 48 -6.579 16.442 -1.818 1.00 0.00 O ATOM 717 CB ALA A 48 -7.900 13.952 -1.567 1.00 0.00 C ATOM 0 H ALA A 48 -7.611 14.315 0.849 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.885 13.357 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.797 13.861 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.317 13.029 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.566 14.783 -1.334 1.00 0.00 H new ATOM 723 N ASP A 49 -4.589 15.393 -1.774 1.00 0.00 N ATOM 724 CA ASP A 49 -3.860 16.516 -2.352 1.00 0.00 C ATOM 725 C ASP A 49 -2.404 16.142 -2.614 1.00 0.00 C ATOM 726 O ASP A 49 -1.812 15.357 -1.873 1.00 0.00 O ATOM 727 CB ASP A 49 -3.929 17.729 -1.422 1.00 0.00 C ATOM 728 CG ASP A 49 -5.136 18.604 -1.700 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.323 19.002 -2.869 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.892 18.891 -0.749 1.00 0.00 O ATOM 0 H ASP A 49 -4.011 14.580 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.328 16.770 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.962 17.388 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.021 18.321 -1.534 1.00 0.00 H new ATOM 735 N ARG A 50 -1.835 16.709 -3.672 1.00 0.00 N ATOM 736 CA ARG A 50 -0.449 16.434 -4.033 1.00 0.00 C ATOM 737 C ARG A 50 0.497 16.842 -2.908 1.00 0.00 C ATOM 738 O ARG A 50 0.853 18.013 -2.776 1.00 0.00 O ATOM 739 CB ARG A 50 -0.078 17.173 -5.320 1.00 0.00 C ATOM 740 CG ARG A 50 -0.559 16.477 -6.583 1.00 0.00 C ATOM 741 CD ARG A 50 0.145 17.016 -7.818 1.00 0.00 C ATOM 742 NE ARG A 50 -0.460 18.256 -8.296 1.00 0.00 N ATOM 743 CZ ARG A 50 0.180 19.143 -9.051 1.00 0.00 C ATOM 744 NH1 ARG A 50 1.437 18.927 -9.412 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.439 20.248 -9.446 1.00 0.00 N ATOM 0 H ARG A 50 -2.312 17.362 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.349 15.361 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.499 18.178 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.005 17.283 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.380 15.405 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.635 16.613 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.196 17.191 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.111 16.268 -8.610 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.427 18.452 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.916 18.078 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.926 19.610 -9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.406 20.417 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.052 20.929 -10.025 1.00 0.00 H new ATOM 759 N GLY A 51 0.901 15.868 -2.098 1.00 0.00 N ATOM 760 CA GLY A 51 1.802 16.146 -0.995 1.00 0.00 C ATOM 761 C GLY A 51 1.120 16.028 0.354 1.00 0.00 C ATOM 762 O GLY A 51 1.766 16.134 1.395 1.00 0.00 O ATOM 0 H GLY A 51 0.620 14.891 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.644 15.455 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.209 17.151 -1.106 1.00 0.00 H new ATOM 766 N GLY A 52 -0.191 15.808 0.335 1.00 0.00 N ATOM 767 CA GLY A 52 -0.940 15.680 1.572 1.00 0.00 C ATOM 768 C GLY A 52 -0.432 14.548 2.443 1.00 0.00 C ATOM 769 O GLY A 52 0.497 13.833 2.066 1.00 0.00 O ATOM 0 H GLY A 52 -0.748 15.716 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.881 16.616 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.992 15.512 1.341 1.00 0.00 H new ATOM 773 N LYS A 53 -1.041 14.385 3.613 1.00 0.00 N ATOM 774 CA LYS A 53 -0.646 13.332 4.541 1.00 0.00 C ATOM 775 C LYS A 53 -1.821 12.410 4.851 1.00 0.00 C ATOM 776 O LYS A 53 -2.925 12.872 5.139 1.00 0.00 O ATOM 777 CB LYS A 53 -0.107 13.942 5.837 1.00 0.00 C ATOM 778 CG LYS A 53 1.392 14.184 5.819 1.00 0.00 C ATOM 779 CD LYS A 53 1.790 15.135 4.703 1.00 0.00 C ATOM 780 CE LYS A 53 3.142 15.778 4.974 1.00 0.00 C ATOM 781 NZ LYS A 53 4.259 14.805 4.818 1.00 0.00 N ATOM 0 H LYS A 53 -1.810 14.969 3.941 1.00 0.00 H new ATOM 0 HA LYS A 53 0.140 12.743 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.617 14.887 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.350 13.280 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.707 14.595 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.913 13.235 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.826 14.593 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.032 15.911 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.290 16.614 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.154 16.186 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.163 15.281 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.131 14.020 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.263 14.434 3.846 1.00 0.00 H new ATOM 795 N PHE A 54 -1.575 11.106 4.790 1.00 0.00 N ATOM 796 CA PHE A 54 -2.613 10.119 5.065 1.00 0.00 C ATOM 797 C PHE A 54 -2.211 9.215 6.226 1.00 0.00 C ATOM 798 O PHE A 54 -1.239 8.464 6.136 1.00 0.00 O ATOM 799 CB PHE A 54 -2.887 9.275 3.818 1.00 0.00 C ATOM 800 CG PHE A 54 -1.855 8.211 3.576 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.971 6.966 4.173 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.768 8.456 2.753 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.023 5.984 3.953 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.183 7.478 2.529 1.00 0.00 C ATOM 805 CZ PHE A 54 0.056 6.241 3.130 1.00 0.00 C ATOM 0 H PHE A 54 -0.666 10.708 4.553 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.522 10.653 5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.866 8.805 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.933 9.930 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.812 6.760 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.662 9.422 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.126 5.018 4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.025 7.681 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.799 5.476 2.957 1.00 0.00 H new ATOM 815 N HIS A 55 -2.966 9.294 7.318 1.00 0.00 N ATOM 816 CA HIS A 55 -2.689 8.483 8.499 1.00 0.00 C ATOM 817 C HIS A 55 -3.837 7.518 8.777 1.00 0.00 C ATOM 818 O HIS A 55 -5.007 7.883 8.669 1.00 0.00 O ATOM 819 CB HIS A 55 -2.455 9.380 9.715 1.00 0.00 C ATOM 820 CG HIS A 55 -1.404 8.861 10.648 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.866 7.595 10.547 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.791 9.446 11.703 1.00 0.00 C ATOM 823 CE1 HIS A 55 0.032 7.423 11.501 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.097 8.532 12.216 1.00 0.00 N ATOM 0 H HIS A 55 -3.773 9.911 7.409 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.788 7.901 8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.167 10.374 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.392 9.490 10.261 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.121 6.900 9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.967 10.445 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.614 6.528 11.668 1.00 0.00 H new ATOM 833 N MET A 56 -3.494 6.285 9.133 1.00 0.00 N ATOM 834 CA MET A 56 -4.497 5.267 9.427 1.00 0.00 C ATOM 835 C MET A 56 -4.005 4.317 10.514 1.00 0.00 C ATOM 836 O MET A 56 -2.873 4.429 10.985 1.00 0.00 O ATOM 837 CB MET A 56 -4.841 4.480 8.161 1.00 0.00 C ATOM 838 CG MET A 56 -3.714 4.445 7.142 1.00 0.00 C ATOM 839 SD MET A 56 -3.688 2.915 6.187 1.00 0.00 S ATOM 840 CE MET A 56 -5.342 2.918 5.500 1.00 0.00 C ATOM 0 H MET A 56 -2.530 5.966 9.225 1.00 0.00 H new ATOM 0 HA MET A 56 -5.394 5.769 9.788 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.101 3.458 8.438 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.724 4.920 7.698 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.817 5.291 6.463 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.760 4.564 7.656 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.313 2.538 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.989 2.283 6.105 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.733 3.936 5.497 1.00 0.00 H new ATOM 850 N VAL A 57 -4.863 3.381 10.908 1.00 0.00 N ATOM 851 CA VAL A 57 -4.515 2.410 11.938 1.00 0.00 C ATOM 852 C VAL A 57 -4.197 3.101 13.260 1.00 0.00 C ATOM 853 O VAL A 57 -3.172 2.827 13.884 1.00 0.00 O ATOM 854 CB VAL A 57 -3.307 1.552 11.517 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.124 0.382 12.471 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.475 1.063 10.086 1.00 0.00 C ATOM 0 H VAL A 57 -5.804 3.275 10.529 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.383 1.763 12.068 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.410 2.170 11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.266 -0.212 12.157 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.955 0.758 13.480 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.019 -0.240 12.460 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.613 0.458 9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.380 0.461 10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.552 1.919 9.416 1.00 0.00 H new ATOM 866 N ASP A 58 -5.083 3.998 13.680 1.00 0.00 N ATOM 867 CA ASP A 58 -4.898 4.728 14.928 1.00 0.00 C ATOM 868 C ASP A 58 -3.613 5.549 14.893 1.00 0.00 C ATOM 869 O ASP A 58 -3.032 5.857 15.933 1.00 0.00 O ATOM 870 CB ASP A 58 -4.866 3.759 16.111 1.00 0.00 C ATOM 871 CG ASP A 58 -5.363 4.394 17.395 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.043 5.578 17.633 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.071 3.709 18.160 1.00 0.00 O ATOM 0 H ASP A 58 -5.936 4.237 13.174 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.740 5.410 15.049 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.479 2.888 15.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.846 3.402 16.257 1.00 0.00 H new ATOM 878 N GLY A 59 -3.173 5.899 13.688 1.00 0.00 N ATOM 879 CA GLY A 59 -1.959 6.680 13.539 1.00 0.00 C ATOM 880 C GLY A 59 -0.713 5.817 13.527 1.00 0.00 C ATOM 881 O GLY A 59 0.363 6.264 13.923 1.00 0.00 O ATOM 0 H GLY A 59 -3.636 5.655 12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.010 7.252 12.613 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.891 7.400 14.355 1.00 0.00 H new ATOM 885 N ASN A 60 -0.858 4.577 13.073 1.00 0.00 N ATOM 886 CA ASN A 60 0.265 3.648 13.014 1.00 0.00 C ATOM 887 C ASN A 60 0.870 3.615 11.614 1.00 0.00 C ATOM 888 O ASN A 60 2.018 3.208 11.431 1.00 0.00 O ATOM 889 CB ASN A 60 -0.186 2.244 13.420 1.00 0.00 C ATOM 890 CG ASN A 60 -0.045 2.000 14.910 1.00 0.00 C ATOM 891 OD1 ASN A 60 1.056 1.780 15.414 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.165 2.038 15.624 1.00 0.00 N ATOM 0 H ASN A 60 -1.742 4.192 12.740 1.00 0.00 H new ATOM 0 HA ASN A 60 1.027 3.993 13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.226 2.101 13.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.402 1.505 12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.133 1.881 16.631 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.057 2.224 15.165 1.00 0.00 H new ATOM 899 N VAL A 61 0.091 4.047 10.628 1.00 0.00 N ATOM 900 CA VAL A 61 0.549 4.069 9.244 1.00 0.00 C ATOM 901 C VAL A 61 0.323 5.438 8.611 1.00 0.00 C ATOM 902 O VAL A 61 -0.815 5.879 8.454 1.00 0.00 O ATOM 903 CB VAL A 61 -0.167 3.000 8.398 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.231 3.121 6.935 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.139 1.607 8.929 1.00 0.00 C ATOM 0 H VAL A 61 -0.861 4.387 10.762 1.00 0.00 H new ATOM 0 HA VAL A 61 1.617 3.852 9.262 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.242 3.164 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.285 2.357 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.044 4.108 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.308 2.984 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.375 0.864 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.214 1.430 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.202 1.528 9.961 1.00 0.00 H new ATOM 915 N SER A 62 1.415 6.104 8.250 1.00 0.00 N ATOM 916 CA SER A 62 1.336 7.425 7.637 1.00 0.00 C ATOM 917 C SER A 62 2.048 7.441 6.287 1.00 0.00 C ATOM 918 O SER A 62 2.641 6.445 5.874 1.00 0.00 O ATOM 919 CB SER A 62 1.949 8.477 8.562 1.00 0.00 C ATOM 920 OG SER A 62 3.359 8.346 8.620 1.00 0.00 O ATOM 0 H SER A 62 2.364 5.751 8.371 1.00 0.00 H new ATOM 0 HA SER A 62 0.284 7.662 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.688 9.474 8.208 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.530 8.374 9.563 1.00 0.00 H new ATOM 0 HG SER A 62 3.727 9.031 9.216 1.00 0.00 H new ATOM 926 N GLY A 63 1.983 8.580 5.605 1.00 0.00 N ATOM 927 CA GLY A 63 2.625 8.706 4.309 1.00 0.00 C ATOM 928 C GLY A 63 2.434 10.080 3.698 1.00 0.00 C ATOM 929 O GLY A 63 2.081 11.031 4.394 1.00 0.00 O ATOM 0 H GLY A 63 1.498 9.418 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.691 8.503 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.222 7.952 3.633 1.00 0.00 H new ATOM 933 N GLU A 64 2.669 10.184 2.394 1.00 0.00 N ATOM 934 CA GLU A 64 2.522 11.453 1.691 1.00 0.00 C ATOM 935 C GLU A 64 2.173 11.224 0.223 1.00 0.00 C ATOM 936 O GLU A 64 2.726 10.338 -0.428 1.00 0.00 O ATOM 937 CB GLU A 64 3.810 12.272 1.799 1.00 0.00 C ATOM 938 CG GLU A 64 4.793 12.013 0.669 1.00 0.00 C ATOM 939 CD GLU A 64 5.975 12.962 0.696 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.458 13.277 1.804 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.417 13.390 -0.391 1.00 0.00 O ATOM 0 H GLU A 64 2.962 9.406 1.803 1.00 0.00 H new ATOM 0 HA GLU A 64 1.707 12.007 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.556 13.332 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.295 12.048 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.154 10.987 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.277 12.109 -0.286 1.00 0.00 H new ATOM 948 N PHE A 65 1.251 12.031 -0.292 1.00 0.00 N ATOM 949 CA PHE A 65 0.826 11.916 -1.682 1.00 0.00 C ATOM 950 C PHE A 65 1.830 12.587 -2.615 1.00 0.00 C ATOM 951 O PHE A 65 2.121 13.776 -2.482 1.00 0.00 O ATOM 952 CB PHE A 65 -0.557 12.544 -1.868 1.00 0.00 C ATOM 953 CG PHE A 65 -1.681 11.674 -1.381 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.498 10.823 -0.303 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.919 11.706 -2.003 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.530 10.021 0.147 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.954 10.907 -1.556 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.759 10.062 -0.481 1.00 0.00 C ATOM 0 H PHE A 65 0.784 12.771 0.232 1.00 0.00 H new ATOM 0 HA PHE A 65 0.774 10.857 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.589 13.496 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.709 12.762 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.538 10.786 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.077 12.362 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.375 9.363 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.915 10.943 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.566 9.435 -0.132 1.00 0.00 H new ATOM 968 N THR A 66 2.358 11.815 -3.559 1.00 0.00 N ATOM 969 CA THR A 66 3.331 12.332 -4.513 1.00 0.00 C ATOM 970 C THR A 66 2.694 12.562 -5.879 1.00 0.00 C ATOM 971 O THR A 66 3.062 13.490 -6.598 1.00 0.00 O ATOM 972 CB THR A 66 4.526 11.373 -4.673 1.00 0.00 C ATOM 973 OG1 THR A 66 4.062 10.066 -5.030 1.00 0.00 O ATOM 974 CG2 THR A 66 5.333 11.295 -3.385 1.00 0.00 C ATOM 0 H THR A 66 2.128 10.829 -3.683 1.00 0.00 H new ATOM 0 HA THR A 66 3.687 13.283 -4.116 1.00 0.00 H new ATOM 0 HB THR A 66 5.169 11.758 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.082 10.060 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.171 10.612 -3.522 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.710 12.286 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.697 10.931 -2.578 1.00 0.00 H new ATOM 982 N ASP A 67 1.736 11.711 -6.230 1.00 0.00 N ATOM 983 CA ASP A 67 1.045 11.823 -7.510 1.00 0.00 C ATOM 984 C ASP A 67 -0.426 11.445 -7.368 1.00 0.00 C ATOM 985 O ASP A 67 -0.775 10.541 -6.607 1.00 0.00 O ATOM 986 CB ASP A 67 1.716 10.931 -8.555 1.00 0.00 C ATOM 987 CG ASP A 67 1.570 11.477 -9.962 1.00 0.00 C ATOM 988 OD1 ASP A 67 1.586 12.715 -10.122 1.00 0.00 O ATOM 989 OD2 ASP A 67 1.441 10.666 -10.902 1.00 0.00 O ATOM 0 H ASP A 67 1.420 10.936 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 67 1.104 12.861 -7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.775 10.829 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.282 9.932 -8.509 1.00 0.00 H new ATOM 994 N LEU A 68 -1.284 12.142 -8.105 1.00 0.00 N ATOM 995 CA LEU A 68 -2.718 11.880 -8.061 1.00 0.00 C ATOM 996 C LEU A 68 -3.349 12.070 -9.437 1.00 0.00 C ATOM 997 O LEU A 68 -3.460 13.192 -9.930 1.00 0.00 O ATOM 998 CB LEU A 68 -3.395 12.803 -7.045 1.00 0.00 C ATOM 999 CG LEU A 68 -2.962 12.630 -5.589 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.452 13.795 -4.745 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.479 11.311 -5.032 1.00 0.00 C ATOM 0 H LEU A 68 -1.012 12.892 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.863 10.844 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.206 13.835 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.472 12.647 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.873 12.615 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.134 13.655 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.033 14.725 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.540 13.842 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.161 11.205 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.568 11.297 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.079 10.486 -5.621 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.762 10.966 -10.051 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.385 11.011 -11.368 1.00 0.00 C ATOM 1015 C VAL A 69 -5.855 10.614 -11.295 1.00 0.00 C ATOM 1016 O VAL A 69 -6.237 9.679 -10.590 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.663 10.082 -12.362 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.157 10.329 -13.779 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.156 10.275 -12.273 1.00 0.00 C ATOM 0 H VAL A 69 -3.676 10.029 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.307 12.040 -11.720 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.891 9.049 -12.098 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.636 9.664 -14.467 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.229 10.136 -13.830 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.961 11.365 -14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.662 9.611 -12.982 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.907 11.309 -12.510 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.819 10.043 -11.263 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.701 11.339 -12.041 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.144 11.081 -12.078 1.00 0.00 C ATOM 1031 C PRO A 70 -8.463 9.604 -12.287 1.00 0.00 C ATOM 1032 O PRO A 70 -8.199 9.047 -13.352 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.621 11.905 -13.277 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.623 13.004 -13.402 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.316 12.468 -12.905 1.00 0.00 C ATOM 0 HA PRO A 70 -8.630 11.347 -11.139 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.659 11.300 -14.183 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.624 12.298 -13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.537 13.330 -14.438 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.930 13.872 -12.819 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.679 12.142 -13.727 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.759 13.224 -12.351 1.00 0.00 H new ATOM 1043 N GLU A 71 -9.033 8.977 -11.263 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.387 7.564 -11.335 1.00 0.00 C ATOM 1045 C GLU A 71 -8.438 6.812 -12.264 1.00 0.00 C ATOM 1046 O GLU A 71 -8.871 6.045 -13.124 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.829 7.401 -11.821 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.810 8.344 -11.144 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.168 8.357 -11.818 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.438 7.444 -12.626 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.960 9.280 -11.538 1.00 0.00 O ATOM 0 H GLU A 71 -9.259 9.424 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.298 7.142 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.862 7.568 -12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.148 6.373 -11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.929 8.050 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.398 9.353 -11.146 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.141 7.038 -12.083 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.129 6.382 -12.903 1.00 0.00 C ATOM 1060 C LYS A 72 -5.112 5.652 -12.031 1.00 0.00 C ATOM 1061 O LYS A 72 -4.934 4.440 -12.150 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.416 7.408 -13.787 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.147 7.705 -15.085 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.176 8.001 -16.216 1.00 0.00 C ATOM 1065 CE LYS A 72 -5.673 7.437 -17.538 1.00 0.00 C ATOM 1066 NZ LYS A 72 -6.813 8.224 -18.083 1.00 0.00 N ATOM 0 H LYS A 72 -6.766 7.670 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.629 5.650 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.295 8.336 -13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.415 7.043 -14.019 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.772 6.854 -15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.812 8.557 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.039 9.079 -16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.201 7.575 -15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.857 7.432 -18.260 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.981 6.401 -17.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.123 7.808 -18.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.602 8.208 -17.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.512 9.207 -18.241 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.448 6.398 -11.154 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.450 5.821 -10.260 1.00 0.00 C ATOM 1082 C HIS A 73 -3.095 6.795 -9.141 1.00 0.00 C ATOM 1083 O HIS A 73 -3.360 7.993 -9.241 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.192 5.443 -11.042 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.070 6.422 -10.881 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.252 6.042 -10.789 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.079 7.773 -10.798 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.008 7.117 -10.654 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.225 8.181 -10.657 1.00 0.00 N ATOM 0 H HIS A 73 -4.583 7.403 -11.043 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.875 4.922 -9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.854 4.459 -10.717 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.443 5.361 -12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.949 8.411 -10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.084 7.125 -10.558 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.538 9.148 -10.569 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.494 6.273 -8.077 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.102 7.097 -6.940 1.00 0.00 C ATOM 1100 C ILE A 74 -0.753 6.657 -6.382 1.00 0.00 C ATOM 1101 O ILE A 74 -0.545 5.480 -6.087 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.154 7.041 -5.816 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.517 7.496 -6.341 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.718 7.903 -4.641 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.655 7.220 -5.383 1.00 0.00 C ATOM 0 H ILE A 74 -2.268 5.283 -7.979 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.025 8.122 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.244 6.011 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.479 8.565 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.719 6.994 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.471 7.854 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.766 7.538 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.604 8.936 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.591 7.568 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.719 6.149 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.476 7.744 -4.444 1.00 0.00 H new ATOM 1117 N VAL A 75 0.161 7.611 -6.237 1.00 0.00 N ATOM 1118 CA VAL A 75 1.489 7.324 -5.711 1.00 0.00 C ATOM 1119 C VAL A 75 1.738 8.074 -4.407 1.00 0.00 C ATOM 1120 O VAL A 75 1.683 9.303 -4.366 1.00 0.00 O ATOM 1121 CB VAL A 75 2.588 7.698 -6.723 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.922 7.093 -6.313 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.197 7.249 -8.123 1.00 0.00 C ATOM 0 H VAL A 75 0.005 8.590 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 75 1.529 6.251 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 75 2.696 8.783 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.685 7.369 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.205 7.469 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.833 6.007 -6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.985 7.521 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.059 6.168 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.266 7.736 -8.415 1.00 0.00 H new ATOM 1133 N MET A 76 2.013 7.326 -3.343 1.00 0.00 N ATOM 1134 CA MET A 76 2.273 7.921 -2.038 1.00 0.00 C ATOM 1135 C MET A 76 3.255 7.071 -1.238 1.00 0.00 C ATOM 1136 O MET A 76 3.626 5.974 -1.656 1.00 0.00 O ATOM 1137 CB MET A 76 0.966 8.081 -1.258 1.00 0.00 C ATOM 1138 CG MET A 76 0.440 6.778 -0.680 1.00 0.00 C ATOM 1139 SD MET A 76 -1.323 6.845 -0.308 1.00 0.00 S ATOM 1140 CE MET A 76 -1.858 5.245 -0.910 1.00 0.00 C ATOM 0 H MET A 76 2.061 6.307 -3.359 1.00 0.00 H new ATOM 0 HA MET A 76 2.717 8.904 -2.196 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.121 8.792 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.210 8.508 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.628 5.970 -1.387 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.991 6.540 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.931 5.136 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.640 5.166 -1.975 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.329 4.458 -0.372 1.00 0.00 H new ATOM 1150 N LYS A 77 3.673 7.584 -0.086 1.00 0.00 N ATOM 1151 CA LYS A 77 4.611 6.872 0.773 1.00 0.00 C ATOM 1152 C LYS A 77 3.871 6.042 1.818 1.00 0.00 C ATOM 1153 O LYS A 77 2.758 6.383 2.219 1.00 0.00 O ATOM 1154 CB LYS A 77 5.552 7.861 1.466 1.00 0.00 C ATOM 1155 CG LYS A 77 6.683 8.348 0.577 1.00 0.00 C ATOM 1156 CD LYS A 77 7.744 9.086 1.377 1.00 0.00 C ATOM 1157 CE LYS A 77 7.425 10.569 1.491 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.579 11.344 2.024 1.00 0.00 N ATOM 0 H LYS A 77 3.377 8.491 0.274 1.00 0.00 H new ATOM 0 HA LYS A 77 5.197 6.198 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.975 8.720 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.975 7.387 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.137 7.499 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.283 9.007 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.818 8.651 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.716 8.957 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.148 10.957 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.563 10.706 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.296 12.334 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.882 10.936 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.367 11.304 1.346 1.00 0.00 H new ATOM 1172 N TRP A 78 4.496 4.955 2.254 1.00 0.00 N ATOM 1173 CA TRP A 78 3.896 4.078 3.253 1.00 0.00 C ATOM 1174 C TRP A 78 4.934 3.627 4.275 1.00 0.00 C ATOM 1175 O TRP A 78 6.086 3.363 3.929 1.00 0.00 O ATOM 1176 CB TRP A 78 3.264 2.860 2.578 1.00 0.00 C ATOM 1177 CG TRP A 78 2.190 2.215 3.402 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.841 2.380 3.264 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.376 1.306 4.492 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.178 1.627 4.202 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.096 0.958 4.967 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.498 0.749 5.111 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.911 0.081 6.033 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.313 -0.121 6.169 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.027 -0.449 6.621 1.00 0.00 C ATOM 0 H TRP A 78 5.418 4.659 1.932 1.00 0.00 H new ATOM 0 HA TRP A 78 3.120 4.639 3.774 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.844 3.162 1.619 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.042 2.126 2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.366 3.010 2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.835 1.575 4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.493 0.994 4.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.079 -0.172 6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.174 -0.555 6.656 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.915 -1.133 7.449 1.00 0.00 H new ATOM 1196 N ARG A 79 4.520 3.540 5.535 1.00 0.00 N ATOM 1197 CA ARG A 79 5.415 3.122 6.607 1.00 0.00 C ATOM 1198 C ARG A 79 4.643 2.905 7.905 1.00 0.00 C ATOM 1199 O ARG A 79 3.492 3.323 8.033 1.00 0.00 O ATOM 1200 CB ARG A 79 6.512 4.166 6.821 1.00 0.00 C ATOM 1201 CG ARG A 79 5.990 5.504 7.318 1.00 0.00 C ATOM 1202 CD ARG A 79 7.022 6.220 8.176 1.00 0.00 C ATOM 1203 NE ARG A 79 7.151 5.613 9.498 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.621 6.258 10.560 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.003 7.523 10.456 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.708 5.637 11.730 1.00 0.00 N ATOM 0 H ARG A 79 3.570 3.754 5.838 1.00 0.00 H new ATOM 0 HA ARG A 79 5.875 2.178 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.236 3.779 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.044 4.319 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.724 6.131 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.079 5.349 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.988 6.201 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.740 7.267 8.284 1.00 0.00 H new ATOM 0 HE ARG A 79 6.865 4.641 9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.936 8.004 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.363 8.016 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.414 4.664 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.069 6.133 12.545 1.00 0.00 H new ATOM 1220 N PHE A 80 5.286 2.250 8.867 1.00 0.00 N ATOM 1221 CA PHE A 80 4.660 1.976 10.155 1.00 0.00 C ATOM 1222 C PHE A 80 5.156 2.952 11.218 1.00 0.00 C ATOM 1223 O PHE A 80 6.198 3.587 11.058 1.00 0.00 O ATOM 1224 CB PHE A 80 4.949 0.539 10.591 1.00 0.00 C ATOM 1225 CG PHE A 80 3.866 -0.431 10.216 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.535 -0.130 10.454 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.179 -1.645 9.625 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.535 -1.020 10.110 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.183 -2.539 9.277 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.860 -2.227 9.521 1.00 0.00 C ATOM 0 H PHE A 80 6.240 1.899 8.779 1.00 0.00 H new ATOM 0 HA PHE A 80 3.583 2.104 10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.888 0.214 10.143 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.087 0.517 11.672 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.275 0.812 10.914 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.212 -1.896 9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.501 -0.772 10.301 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.440 -3.481 8.815 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.081 -2.925 9.252 1.00 0.00 H new ATOM 1240 N LYS A 81 4.400 3.067 12.305 1.00 0.00 N ATOM 1241 CA LYS A 81 4.761 3.964 13.397 1.00 0.00 C ATOM 1242 C LYS A 81 5.946 3.414 14.184 1.00 0.00 C ATOM 1243 O LYS A 81 6.416 4.039 15.135 1.00 0.00 O ATOM 1244 CB LYS A 81 3.566 4.170 14.331 1.00 0.00 C ATOM 1245 CG LYS A 81 3.933 4.818 15.655 1.00 0.00 C ATOM 1246 CD LYS A 81 4.284 3.779 16.706 1.00 0.00 C ATOM 1247 CE LYS A 81 3.055 3.342 17.489 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.714 4.307 18.570 1.00 0.00 N ATOM 0 H LYS A 81 3.533 2.550 12.453 1.00 0.00 H new ATOM 0 HA LYS A 81 5.048 4.923 12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.824 4.789 13.827 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.097 3.205 14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.779 5.490 15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.099 5.426 16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.738 2.912 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.026 4.189 17.391 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.208 3.243 16.810 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.232 2.358 17.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.871 3.973 19.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.512 4.383 19.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.520 5.240 18.154 1.00 0.00 H new ATOM 1262 N SER A 82 6.425 2.241 13.781 1.00 0.00 N ATOM 1263 CA SER A 82 7.554 1.606 14.451 1.00 0.00 C ATOM 1264 C SER A 82 8.728 1.436 13.492 1.00 0.00 C ATOM 1265 O SER A 82 9.690 0.727 13.791 1.00 0.00 O ATOM 1266 CB SER A 82 7.140 0.246 15.016 1.00 0.00 C ATOM 1267 OG SER A 82 6.744 -0.637 13.981 1.00 0.00 O ATOM 0 H SER A 82 6.049 1.712 12.994 1.00 0.00 H new ATOM 0 HA SER A 82 7.868 2.251 15.272 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.971 -0.189 15.571 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.319 0.376 15.721 1.00 0.00 H new ATOM 0 HG SER A 82 6.486 -1.500 14.368 1.00 0.00 H new ATOM 1273 N TRP A 83 8.643 2.090 12.340 1.00 0.00 N ATOM 1274 CA TRP A 83 9.698 2.011 11.336 1.00 0.00 C ATOM 1275 C TRP A 83 10.817 3.000 11.643 1.00 0.00 C ATOM 1276 O TRP A 83 10.620 4.002 12.332 1.00 0.00 O ATOM 1277 CB TRP A 83 9.127 2.285 9.944 1.00 0.00 C ATOM 1278 CG TRP A 83 8.529 1.072 9.297 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.176 -0.095 9.913 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.217 0.906 7.910 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.663 -0.976 8.992 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.676 -0.386 7.756 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.338 1.724 6.783 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.261 -0.876 6.521 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.926 1.235 5.558 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.392 -0.054 5.435 1.00 0.00 C ATOM 0 H TRP A 83 7.854 2.681 12.077 1.00 0.00 H new ATOM 0 HA TRP A 83 10.113 1.003 11.359 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.365 3.061 10.018 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.919 2.676 9.305 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.284 -0.296 10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.327 -1.917 9.196 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.746 2.720 6.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.850 -1.870 6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.017 1.858 4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.077 -0.406 4.464 1.00 0.00 H new ATOM 1297 N PRO A 84 12.019 2.715 11.122 1.00 0.00 N ATOM 1298 CA PRO A 84 13.193 3.569 11.328 1.00 0.00 C ATOM 1299 C PRO A 84 12.926 5.022 10.951 1.00 0.00 C ATOM 1300 O PRO A 84 11.911 5.335 10.330 1.00 0.00 O ATOM 1301 CB PRO A 84 14.243 2.959 10.396 1.00 0.00 C ATOM 1302 CG PRO A 84 13.837 1.533 10.249 1.00 0.00 C ATOM 1303 CD PRO A 84 12.326 1.539 10.292 1.00 0.00 C ATOM 0 HA PRO A 84 13.497 3.598 12.374 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.260 3.467 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.244 3.044 10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.202 1.116 9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.250 0.922 11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.895 1.626 9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.932 0.622 10.731 1.00 0.00 H new ATOM 1311 N GLU A 85 13.845 5.905 11.331 1.00 0.00 N ATOM 1312 CA GLU A 85 13.707 7.326 11.032 1.00 0.00 C ATOM 1313 C GLU A 85 13.830 7.581 9.533 1.00 0.00 C ATOM 1314 O GLU A 85 14.650 6.967 8.853 1.00 0.00 O ATOM 1315 CB GLU A 85 14.765 8.134 11.787 1.00 0.00 C ATOM 1316 CG GLU A 85 14.787 9.607 11.414 1.00 0.00 C ATOM 1317 CD GLU A 85 16.023 10.320 11.926 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.350 10.155 13.120 1.00 0.00 O ATOM 1319 OE2 GLU A 85 16.663 11.043 11.134 1.00 0.00 O ATOM 0 H GLU A 85 14.691 5.662 11.846 1.00 0.00 H new ATOM 0 HA GLU A 85 12.717 7.645 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.585 8.042 12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.747 7.704 11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.739 9.704 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.899 10.093 11.817 1.00 0.00 H new ATOM 1326 N GLY A 86 13.006 8.493 9.024 1.00 0.00 N ATOM 1327 CA GLY A 86 13.038 8.814 7.609 1.00 0.00 C ATOM 1328 C GLY A 86 13.115 7.577 6.736 1.00 0.00 C ATOM 1329 O GLY A 86 14.003 7.458 5.891 1.00 0.00 O ATOM 0 H GLY A 86 12.317 9.015 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.146 9.384 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.896 9.454 7.404 1.00 0.00 H new ATOM 1333 N HIS A 87 12.183 6.651 6.940 1.00 0.00 N ATOM 1334 CA HIS A 87 12.150 5.416 6.165 1.00 0.00 C ATOM 1335 C HIS A 87 10.731 5.108 5.694 1.00 0.00 C ATOM 1336 O HIS A 87 9.926 4.549 6.440 1.00 0.00 O ATOM 1337 CB HIS A 87 12.687 4.252 6.998 1.00 0.00 C ATOM 1338 CG HIS A 87 13.093 3.066 6.178 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.408 2.721 5.953 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.347 2.141 5.530 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.454 1.636 5.200 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.216 1.264 4.930 1.00 0.00 N ATOM 0 H HIS A 87 11.441 6.733 7.635 1.00 0.00 H new ATOM 0 HA HIS A 87 12.784 5.549 5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.545 4.595 7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.924 3.945 7.713 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.219 3.225 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.268 2.100 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.351 1.138 4.863 1.00 0.00 H new ATOM 1351 N PHE A 88 10.432 5.476 4.453 1.00 0.00 N ATOM 1352 CA PHE A 88 9.110 5.241 3.884 1.00 0.00 C ATOM 1353 C PHE A 88 9.199 4.335 2.659 1.00 0.00 C ATOM 1354 O PHE A 88 10.288 4.046 2.166 1.00 0.00 O ATOM 1355 CB PHE A 88 8.451 6.568 3.503 1.00 0.00 C ATOM 1356 CG PHE A 88 8.087 7.418 4.687 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.072 7.980 5.483 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.759 7.654 5.004 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.740 8.762 6.573 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.421 8.436 6.093 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.413 8.990 6.879 1.00 0.00 C ATOM 0 H PHE A 88 11.087 5.938 3.822 1.00 0.00 H new ATOM 0 HA PHE A 88 8.500 4.745 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.127 7.128 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.552 6.364 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.112 7.805 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.979 7.222 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.518 9.194 7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.382 8.614 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.151 9.600 7.731 1.00 0.00 H new ATOM 1371 N ALA A 89 8.044 3.890 2.175 1.00 0.00 N ATOM 1372 CA ALA A 89 7.990 3.018 1.008 1.00 0.00 C ATOM 1373 C ALA A 89 7.143 3.635 -0.100 1.00 0.00 C ATOM 1374 O ALA A 89 6.038 4.121 0.146 1.00 0.00 O ATOM 1375 CB ALA A 89 7.444 1.652 1.394 1.00 0.00 C ATOM 0 H ALA A 89 7.133 4.119 2.573 1.00 0.00 H new ATOM 0 HA ALA A 89 9.005 2.897 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.409 1.012 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.092 1.200 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.439 1.764 1.801 1.00 0.00 H new ATOM 1381 N THR A 90 7.666 3.614 -1.322 1.00 0.00 N ATOM 1382 CA THR A 90 6.959 4.173 -2.466 1.00 0.00 C ATOM 1383 C THR A 90 5.875 3.221 -2.961 1.00 0.00 C ATOM 1384 O THR A 90 6.172 2.157 -3.506 1.00 0.00 O ATOM 1385 CB THR A 90 7.923 4.482 -3.627 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.073 5.180 -3.136 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.234 5.317 -4.695 1.00 0.00 C ATOM 0 H THR A 90 8.578 3.215 -1.544 1.00 0.00 H new ATOM 0 HA THR A 90 6.498 5.102 -2.129 1.00 0.00 H new ATOM 0 HB THR A 90 8.235 3.537 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.682 5.371 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.935 5.522 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.377 4.770 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.896 6.258 -4.260 1.00 0.00 H new ATOM 1395 N ILE A 91 4.620 3.610 -2.768 1.00 0.00 N ATOM 1396 CA ILE A 91 3.492 2.791 -3.197 1.00 0.00 C ATOM 1397 C ILE A 91 2.735 3.455 -4.342 1.00 0.00 C ATOM 1398 O ILE A 91 2.288 4.597 -4.226 1.00 0.00 O ATOM 1399 CB ILE A 91 2.516 2.525 -2.036 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.055 1.415 -1.132 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.141 2.157 -2.574 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.410 1.726 -0.535 1.00 0.00 C ATOM 0 H ILE A 91 4.358 4.487 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 91 3.903 1.841 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 91 2.421 3.435 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.344 1.237 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.123 0.491 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.462 1.972 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.756 2.977 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.218 1.258 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.730 0.895 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.135 1.875 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.343 2.632 0.067 1.00 0.00 H new ATOM 1414 N THR A 92 2.591 2.732 -5.448 1.00 0.00 N ATOM 1415 CA THR A 92 1.887 3.250 -6.614 1.00 0.00 C ATOM 1416 C THR A 92 0.679 2.385 -6.955 1.00 0.00 C ATOM 1417 O THR A 92 0.813 1.332 -7.580 1.00 0.00 O ATOM 1418 CB THR A 92 2.813 3.326 -7.842 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.888 4.238 -7.589 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.042 3.772 -9.075 1.00 0.00 C ATOM 0 H THR A 92 2.953 1.785 -5.561 1.00 0.00 H new ATOM 0 HA THR A 92 1.551 4.255 -6.360 1.00 0.00 H new ATOM 0 HB THR A 92 3.217 2.331 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.473 4.279 -8.374 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.717 3.818 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.243 3.060 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.612 4.758 -8.898 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.501 2.836 -6.544 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.734 2.103 -6.807 1.00 0.00 C ATOM 1430 C LEU A 93 -2.288 2.447 -8.186 1.00 0.00 C ATOM 1431 O LEU A 93 -1.981 3.499 -8.746 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.777 2.417 -5.733 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.496 1.853 -4.340 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.333 2.574 -3.294 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.770 0.356 -4.305 1.00 0.00 C ATOM 0 H LEU A 93 -0.630 3.706 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.506 1.037 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.872 3.500 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.742 2.037 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.443 2.015 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.120 2.159 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.089 3.636 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.391 2.444 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.565 -0.028 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.814 0.171 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.128 -0.148 -5.027 1.00 0.00 H new ATOM 1447 N THR A 94 -3.110 1.553 -8.728 1.00 0.00 N ATOM 1448 CA THR A 94 -3.708 1.762 -10.041 1.00 0.00 C ATOM 1449 C THR A 94 -5.125 1.204 -10.094 1.00 0.00 C ATOM 1450 O THR A 94 -5.388 0.101 -9.615 1.00 0.00 O ATOM 1451 CB THR A 94 -2.868 1.104 -11.152 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.482 1.121 -10.793 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.063 1.826 -12.477 1.00 0.00 C ATOM 0 H THR A 94 -3.377 0.677 -8.278 1.00 0.00 H new ATOM 0 HA THR A 94 -3.737 2.839 -10.207 1.00 0.00 H new ATOM 0 HB THR A 94 -3.201 0.072 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.955 0.700 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.460 1.344 -13.246 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.114 1.786 -12.762 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.754 2.866 -12.373 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.037 1.974 -10.679 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.430 1.556 -10.794 1.00 0.00 C ATOM 1463 C PHE A 95 -7.764 1.168 -12.232 1.00 0.00 C ATOM 1464 O PHE A 95 -7.630 1.976 -13.151 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.361 2.677 -10.328 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.058 3.169 -8.941 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.978 4.006 -8.709 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.854 2.795 -7.870 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.697 4.459 -7.434 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.578 3.246 -6.593 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.499 4.080 -6.375 1.00 0.00 C ATOM 0 H PHE A 95 -5.837 2.890 -11.081 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.575 0.684 -10.157 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.289 3.512 -11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.391 2.321 -10.362 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.349 4.308 -9.534 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.700 2.144 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.851 5.109 -7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.205 2.947 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.283 4.435 -5.378 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.198 -0.074 -12.417 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.552 -0.569 -13.741 1.00 0.00 C ATOM 1483 C ILE A 96 -10.047 -0.854 -13.841 1.00 0.00 C ATOM 1484 O ILE A 96 -10.702 -1.144 -12.840 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.773 -1.851 -14.089 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.271 -1.629 -13.899 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -8.073 -2.282 -15.517 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.466 -2.910 -13.902 1.00 0.00 C ATOM 0 H ILE A 96 -8.313 -0.756 -11.667 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.286 0.214 -14.451 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.092 -2.646 -13.415 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.905 -0.977 -14.692 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.105 -1.107 -12.956 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.515 -3.189 -15.748 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.140 -2.476 -15.622 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.779 -1.490 -16.206 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.410 -2.677 -13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.805 -3.555 -13.091 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.602 -3.423 -14.854 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.580 -0.770 -15.055 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.998 -1.021 -15.287 1.00 0.00 C ATOM 1502 C ASP A 97 -12.208 -2.381 -15.945 1.00 0.00 C ATOM 1503 O ASP A 97 -11.583 -2.696 -16.958 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.596 0.081 -16.161 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.867 -0.361 -16.861 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.765 -1.073 -17.882 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.962 0.005 -16.387 1.00 0.00 O ATOM 0 H ASP A 97 -10.052 -0.530 -15.894 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.505 -1.023 -14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.809 0.954 -15.544 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.862 0.388 -16.906 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.092 -3.185 -15.363 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.386 -4.511 -15.892 1.00 0.00 C ATOM 1514 C LYS A 98 -14.873 -4.659 -16.194 1.00 0.00 C ATOM 1515 O LYS A 98 -15.365 -5.765 -16.410 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.946 -5.588 -14.898 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.523 -5.412 -14.400 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.526 -6.131 -15.293 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.285 -6.550 -14.520 1.00 0.00 C ATOM 1520 NZ LYS A 98 -9.585 -7.623 -13.531 1.00 0.00 N ATOM 0 H LYS A 98 -13.618 -2.940 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.831 -4.635 -16.822 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.624 -5.581 -14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.038 -6.566 -15.371 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.279 -4.350 -14.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.443 -5.794 -13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.997 -7.011 -15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.239 -5.479 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.524 -6.901 -15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.870 -5.685 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.714 -8.146 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.962 -7.197 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.290 -8.276 -13.930 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.584 -3.536 -16.208 1.00 0.00 N ATOM 1535 CA ASN A 99 -17.016 -3.541 -16.485 1.00 0.00 C ATOM 1536 C ASN A 99 -17.798 -4.093 -15.297 1.00 0.00 C ATOM 1537 O ASN A 99 -18.644 -4.972 -15.451 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.312 -4.372 -17.735 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.526 -3.866 -18.491 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.415 -2.993 -19.352 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.692 -4.415 -18.173 1.00 0.00 N ATOM 0 H ASN A 99 -15.192 -2.611 -16.031 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.331 -2.512 -16.658 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.444 -4.355 -18.394 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.473 -5.411 -17.448 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.543 -4.116 -18.649 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.737 -5.136 -17.453 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.507 -3.569 -14.109 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.191 -4.021 -12.912 1.00 0.00 C ATOM 1550 C GLY A 100 -17.255 -4.165 -11.729 1.00 0.00 C ATOM 1551 O GLY A 100 -17.666 -4.000 -10.581 1.00 0.00 O ATOM 0 H GLY A 100 -16.810 -2.840 -13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.983 -3.315 -12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.670 -4.980 -13.111 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.993 -4.475 -12.009 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.997 -4.644 -10.957 1.00 0.00 C ATOM 1557 C GLU A 101 -13.786 -3.750 -11.206 1.00 0.00 C ATOM 1558 O GLU A 101 -13.622 -3.194 -12.293 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.556 -6.106 -10.871 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.707 -7.095 -10.952 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.286 -8.510 -10.606 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.660 -8.699 -9.542 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.582 -9.428 -11.399 1.00 0.00 O ATOM 0 H GLU A 101 -15.636 -4.614 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.453 -4.354 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.853 -6.313 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.020 -6.261 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.500 -6.780 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.124 -7.080 -11.959 1.00 0.00 H new ATOM 1570 N THR A 102 -12.939 -3.614 -10.191 1.00 0.00 N ATOM 1571 CA THR A 102 -11.744 -2.787 -10.298 1.00 0.00 C ATOM 1572 C THR A 102 -10.515 -3.526 -9.780 1.00 0.00 C ATOM 1573 O THR A 102 -10.475 -3.947 -8.624 1.00 0.00 O ATOM 1574 CB THR A 102 -11.902 -1.468 -9.518 1.00 0.00 C ATOM 1575 OG1 THR A 102 -13.015 -0.726 -10.030 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.638 -0.627 -9.615 1.00 0.00 C ATOM 0 H THR A 102 -13.059 -4.066 -9.285 1.00 0.00 H new ATOM 0 HA THR A 102 -11.610 -2.562 -11.356 1.00 0.00 H new ATOM 0 HB THR A 102 -12.079 -1.710 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.799 -0.880 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.774 0.299 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.798 -1.183 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.435 -0.394 -10.660 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.515 -3.679 -10.642 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.285 -4.368 -10.270 1.00 0.00 C ATOM 1586 C GLU A 103 -7.249 -3.382 -9.735 1.00 0.00 C ATOM 1587 O GLU A 103 -6.657 -2.614 -10.495 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.713 -5.124 -11.471 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.692 -6.184 -11.094 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.649 -6.399 -12.173 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.015 -6.886 -13.264 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.467 -6.081 -11.927 1.00 0.00 O ATOM 0 H GLU A 103 -9.532 -3.335 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.524 -5.082 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.531 -5.597 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.249 -4.410 -12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.197 -5.893 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.206 -7.125 -10.898 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.037 -3.410 -8.425 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.073 -2.519 -7.787 1.00 0.00 C ATOM 1601 C LEU A 104 -4.671 -3.119 -7.820 1.00 0.00 C ATOM 1602 O LEU A 104 -4.375 -4.069 -7.094 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.487 -2.239 -6.341 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.689 -1.158 -5.612 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.975 0.211 -6.209 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.009 -1.170 -4.124 1.00 0.00 C ATOM 0 H LEU A 104 -7.519 -4.039 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.059 -1.581 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.539 -1.953 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.405 -3.167 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.627 -1.372 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.398 0.968 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.694 0.214 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.038 0.434 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.432 -0.394 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.073 -0.982 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.752 -2.143 -3.704 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.814 -2.558 -8.665 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.442 -3.037 -8.792 1.00 0.00 C ATOM 1620 C CYS A 105 -1.492 -2.197 -7.945 1.00 0.00 C ATOM 1621 O CYS A 105 -1.005 -1.157 -8.387 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.002 -3.005 -10.256 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.513 -3.972 -10.601 1.00 0.00 S ATOM 0 H CYS A 105 -4.044 -1.771 -9.272 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.408 -4.065 -8.432 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.816 -3.378 -10.877 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.826 -1.970 -10.549 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.222 -3.884 -11.865 1.00 0.00 H new ATOM 1629 N MET A 106 -1.234 -2.655 -6.724 1.00 0.00 N ATOM 1630 CA MET A 106 -0.343 -1.945 -5.814 1.00 0.00 C ATOM 1631 C MET A 106 1.113 -2.320 -6.075 1.00 0.00 C ATOM 1632 O MET A 106 1.432 -3.489 -6.288 1.00 0.00 O ATOM 1633 CB MET A 106 -0.709 -2.255 -4.361 1.00 0.00 C ATOM 1634 CG MET A 106 0.078 -1.438 -3.349 1.00 0.00 C ATOM 1635 SD MET A 106 1.784 -1.996 -3.181 1.00 0.00 S ATOM 1636 CE MET A 106 1.755 -2.682 -1.527 1.00 0.00 C ATOM 0 H MET A 106 -1.629 -3.514 -6.342 1.00 0.00 H new ATOM 0 HA MET A 106 -0.462 -0.876 -5.991 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.773 -2.071 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.540 -3.315 -4.170 1.00 0.00 H new ATOM 0 HG2 MET A 106 0.071 -0.390 -3.649 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.416 -1.495 -2.379 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.725 -2.530 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.983 -2.185 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.540 -3.749 -1.579 1.00 0.00 H new ATOM 1646 N GLU A 107 1.989 -1.321 -6.059 1.00 0.00 N ATOM 1647 CA GLU A 107 3.410 -1.548 -6.296 1.00 0.00 C ATOM 1648 C GLU A 107 4.258 -0.821 -5.256 1.00 0.00 C ATOM 1649 O GLU A 107 4.522 0.374 -5.380 1.00 0.00 O ATOM 1650 CB GLU A 107 3.797 -1.082 -7.701 1.00 0.00 C ATOM 1651 CG GLU A 107 5.056 -1.742 -8.236 1.00 0.00 C ATOM 1652 CD GLU A 107 5.808 -0.858 -9.212 1.00 0.00 C ATOM 1653 OE1 GLU A 107 6.548 0.037 -8.754 1.00 0.00 O ATOM 1654 OE2 GLU A 107 5.657 -1.063 -10.435 1.00 0.00 O ATOM 0 H GLU A 107 1.740 -0.347 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 107 3.599 -2.618 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.972 -1.287 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.940 -0.001 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.711 -1.996 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.790 -2.677 -8.729 1.00 0.00 H new ATOM 1661 N GLY A 108 4.681 -1.552 -4.229 1.00 0.00 N ATOM 1662 CA GLY A 108 5.494 -0.961 -3.182 1.00 0.00 C ATOM 1663 C GLY A 108 6.960 -1.320 -3.314 1.00 0.00 C ATOM 1664 O GLY A 108 7.302 -2.472 -3.582 1.00 0.00 O ATOM 0 H GLY A 108 4.475 -2.543 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.385 0.123 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.128 -1.293 -2.211 1.00 0.00 H new ATOM 1668 N ARG A 109 7.829 -0.332 -3.126 1.00 0.00 N ATOM 1669 CA ARG A 109 9.267 -0.550 -3.228 1.00 0.00 C ATOM 1670 C ARG A 109 10.014 0.244 -2.161 1.00 0.00 C ATOM 1671 O ARG A 109 10.092 1.470 -2.225 1.00 0.00 O ATOM 1672 CB ARG A 109 9.767 -0.152 -4.618 1.00 0.00 C ATOM 1673 CG ARG A 109 9.387 1.264 -5.020 1.00 0.00 C ATOM 1674 CD ARG A 109 9.227 1.392 -6.526 1.00 0.00 C ATOM 1675 NE ARG A 109 9.501 2.748 -6.993 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.723 3.208 -7.238 1.00 0.00 C ATOM 1677 NH1 ARG A 109 11.778 2.425 -7.063 1.00 0.00 N ATOM 1678 NH2 ARG A 109 10.891 4.455 -7.660 1.00 0.00 N ATOM 0 H ARG A 109 7.562 0.627 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 109 9.461 -1.611 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.852 -0.250 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.365 -0.849 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.455 1.545 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.152 1.959 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.902 0.695 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.213 1.110 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 109 8.711 3.376 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.653 1.466 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.715 2.782 -7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.082 5.061 -7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.829 4.808 -7.848 1.00 0.00 H new ATOM 1692 N GLY A 110 10.563 -0.465 -1.179 1.00 0.00 N ATOM 1693 CA GLY A 110 11.296 0.190 -0.111 1.00 0.00 C ATOM 1694 C GLY A 110 10.892 -0.312 1.262 1.00 0.00 C ATOM 1695 O GLY A 110 11.315 0.238 2.279 1.00 0.00 O ATOM 0 H GLY A 110 10.513 -1.481 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.364 0.027 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.128 1.266 -0.165 1.00 0.00 H new ATOM 1699 N ILE A 111 10.071 -1.356 1.290 1.00 0.00 N ATOM 1700 CA ILE A 111 9.610 -1.930 2.548 1.00 0.00 C ATOM 1701 C ILE A 111 10.741 -2.660 3.267 1.00 0.00 C ATOM 1702 O ILE A 111 11.331 -3.607 2.746 1.00 0.00 O ATOM 1703 CB ILE A 111 8.442 -2.909 2.326 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.145 -2.140 2.067 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.288 -3.831 3.527 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.923 -1.803 0.610 1.00 0.00 C ATOM 0 H ILE A 111 9.712 -1.821 0.457 1.00 0.00 H new ATOM 0 HA ILE A 111 9.266 -1.100 3.165 1.00 0.00 H new ATOM 0 HB ILE A 111 8.661 -3.520 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.303 -2.732 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.157 -1.217 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.459 -4.517 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.207 -4.401 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.088 -3.237 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.985 -1.258 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.745 -1.185 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.878 -2.723 0.027 1.00 0.00 H new ATOM 1718 N PRO A 112 11.050 -2.211 4.492 1.00 0.00 N ATOM 1719 CA PRO A 112 12.110 -2.809 5.310 1.00 0.00 C ATOM 1720 C PRO A 112 12.013 -4.329 5.364 1.00 0.00 C ATOM 1721 O PRO A 112 10.985 -4.882 5.755 1.00 0.00 O ATOM 1722 CB PRO A 112 11.869 -2.208 6.697 1.00 0.00 C ATOM 1723 CG PRO A 112 11.178 -0.914 6.435 1.00 0.00 C ATOM 1724 CD PRO A 112 10.387 -1.087 5.175 1.00 0.00 C ATOM 0 HA PRO A 112 13.101 -2.602 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.256 -2.866 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.807 -2.055 7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.525 -0.650 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.901 -0.105 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.341 -1.309 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.404 -0.183 4.566 1.00 0.00 H new ATOM 1732 N ALA A 113 13.090 -5.000 4.968 1.00 0.00 N ATOM 1733 CA ALA A 113 13.127 -6.458 4.974 1.00 0.00 C ATOM 1734 C ALA A 113 12.677 -7.013 6.322 1.00 0.00 C ATOM 1735 O ALA A 113 11.869 -7.938 6.401 1.00 0.00 O ATOM 1736 CB ALA A 113 14.526 -6.952 4.638 1.00 0.00 C ATOM 0 H ALA A 113 13.948 -4.558 4.639 1.00 0.00 H new ATOM 0 HA ALA A 113 12.434 -6.818 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.539 -8.042 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.811 -6.593 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.232 -6.575 5.378 1.00 0.00 H new ATOM 1742 N PRO A 114 13.213 -6.437 7.408 1.00 0.00 N ATOM 1743 CA PRO A 114 12.881 -6.858 8.772 1.00 0.00 C ATOM 1744 C PRO A 114 11.380 -6.826 9.041 1.00 0.00 C ATOM 1745 O PRO A 114 10.855 -7.658 9.779 1.00 0.00 O ATOM 1746 CB PRO A 114 13.603 -5.830 9.647 1.00 0.00 C ATOM 1747 CG PRO A 114 14.725 -5.335 8.801 1.00 0.00 C ATOM 1748 CD PRO A 114 14.183 -5.329 7.389 1.00 0.00 C ATOM 0 HA PRO A 114 13.182 -7.888 8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.936 -5.017 9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.971 -6.282 10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.038 -4.337 9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.598 -5.983 8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.708 -4.380 7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.970 -5.493 6.653 1.00 0.00 H new ATOM 1756 N GLU A 115 10.696 -5.860 8.435 1.00 0.00 N ATOM 1757 CA GLU A 115 9.255 -5.720 8.610 1.00 0.00 C ATOM 1758 C GLU A 115 8.513 -6.098 7.332 1.00 0.00 C ATOM 1759 O GLU A 115 7.316 -5.846 7.200 1.00 0.00 O ATOM 1760 CB GLU A 115 8.905 -4.285 9.011 1.00 0.00 C ATOM 1761 CG GLU A 115 9.639 -3.803 10.250 1.00 0.00 C ATOM 1762 CD GLU A 115 8.903 -4.140 11.533 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.802 -5.340 11.861 1.00 0.00 O ATOM 1764 OE2 GLU A 115 8.429 -3.202 12.207 1.00 0.00 O ATOM 0 H GLU A 115 11.116 -5.164 7.819 1.00 0.00 H new ATOM 0 HA GLU A 115 8.943 -6.398 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.135 -3.618 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.831 -4.217 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.632 -4.252 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.778 -2.724 10.188 1.00 0.00 H new ATOM 1771 N GLU A 116 9.233 -6.705 6.394 1.00 0.00 N ATOM 1772 CA GLU A 116 8.643 -7.117 5.126 1.00 0.00 C ATOM 1773 C GLU A 116 7.347 -7.890 5.354 1.00 0.00 C ATOM 1774 O GLU A 116 6.262 -7.413 5.024 1.00 0.00 O ATOM 1775 CB GLU A 116 9.630 -7.978 4.334 1.00 0.00 C ATOM 1776 CG GLU A 116 9.029 -8.599 3.084 1.00 0.00 C ATOM 1777 CD GLU A 116 10.026 -9.445 2.316 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.244 -9.243 2.505 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.589 -10.309 1.528 1.00 0.00 O ATOM 0 H GLU A 116 10.225 -6.922 6.488 1.00 0.00 H new ATOM 0 HA GLU A 116 8.414 -6.219 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.486 -7.366 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.006 -8.772 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.175 -9.215 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.653 -7.808 2.435 1.00 0.00 H new ATOM 1786 N GLU A 117 7.470 -9.086 5.921 1.00 0.00 N ATOM 1787 CA GLU A 117 6.309 -9.926 6.193 1.00 0.00 C ATOM 1788 C GLU A 117 5.229 -9.139 6.929 1.00 0.00 C ATOM 1789 O GLU A 117 4.122 -8.960 6.422 1.00 0.00 O ATOM 1790 CB GLU A 117 6.718 -11.148 7.018 1.00 0.00 C ATOM 1791 CG GLU A 117 5.542 -11.997 7.470 1.00 0.00 C ATOM 1792 CD GLU A 117 5.948 -13.414 7.827 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.396 -13.631 8.972 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.819 -14.304 6.961 1.00 0.00 O ATOM 0 H GLU A 117 8.361 -9.495 6.201 1.00 0.00 H new ATOM 0 HA GLU A 117 5.903 -10.261 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.395 -11.765 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.273 -10.815 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.072 -11.529 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.794 -12.026 6.678 1.00 0.00 H new ATOM 1801 N ARG A 118 5.560 -8.671 8.128 1.00 0.00 N ATOM 1802 CA ARG A 118 4.619 -7.905 8.936 1.00 0.00 C ATOM 1803 C ARG A 118 3.812 -6.945 8.067 1.00 0.00 C ATOM 1804 O ARG A 118 2.583 -6.909 8.137 1.00 0.00 O ATOM 1805 CB ARG A 118 5.363 -7.124 10.021 1.00 0.00 C ATOM 1806 CG ARG A 118 4.457 -6.244 10.867 1.00 0.00 C ATOM 1807 CD ARG A 118 5.196 -5.019 11.383 1.00 0.00 C ATOM 1808 NE ARG A 118 4.530 -4.424 12.539 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.727 -4.828 13.789 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.568 -5.822 14.043 1.00 0.00 N ATOM 1811 NH2 ARG A 118 4.084 -4.238 14.787 1.00 0.00 N ATOM 0 H ARG A 118 6.473 -8.809 8.561 1.00 0.00 H new ATOM 0 HA ARG A 118 3.931 -8.606 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.883 -7.827 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.125 -6.502 9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.597 -5.929 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.071 -6.819 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.214 -5.298 11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.270 -4.278 10.587 1.00 0.00 H new ATOM 0 HE ARG A 118 3.878 -3.656 12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.065 -6.278 13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.718 -6.131 15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.437 -3.473 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.236 -4.549 15.746 1.00 0.00 H new ATOM 1825 N THR A 119 4.511 -6.168 7.246 1.00 0.00 N ATOM 1826 CA THR A 119 3.861 -5.207 6.364 1.00 0.00 C ATOM 1827 C THR A 119 2.763 -5.871 5.541 1.00 0.00 C ATOM 1828 O THR A 119 1.577 -5.628 5.760 1.00 0.00 O ATOM 1829 CB THR A 119 4.873 -4.545 5.410 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.905 -3.898 6.163 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.185 -3.532 4.508 1.00 0.00 C ATOM 0 H THR A 119 5.528 -6.186 7.174 1.00 0.00 H new ATOM 0 HA THR A 119 3.420 -4.441 7.002 1.00 0.00 H new ATOM 0 HB THR A 119 5.312 -5.323 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.582 -4.557 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.920 -3.078 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.420 -4.033 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.721 -2.758 5.118 1.00 0.00 H new ATOM 1839 N ARG A 120 3.167 -6.711 4.594 1.00 0.00 N ATOM 1840 CA ARG A 120 2.217 -7.411 3.737 1.00 0.00 C ATOM 1841 C ARG A 120 1.187 -8.166 4.572 1.00 0.00 C ATOM 1842 O ARG A 120 0.074 -8.425 4.115 1.00 0.00 O ATOM 1843 CB ARG A 120 2.951 -8.382 2.812 1.00 0.00 C ATOM 1844 CG ARG A 120 2.215 -8.658 1.511 1.00 0.00 C ATOM 1845 CD ARG A 120 3.152 -9.203 0.445 1.00 0.00 C ATOM 1846 NE ARG A 120 2.458 -10.070 -0.503 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.932 -10.372 -1.707 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.097 -9.880 -2.106 1.00 0.00 N ATOM 1849 NH2 ARG A 120 2.242 -11.168 -2.513 1.00 0.00 N ATOM 0 H ARG A 120 4.146 -6.924 4.401 1.00 0.00 H new ATOM 0 HA ARG A 120 1.696 -6.669 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.937 -7.977 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.107 -9.324 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.412 -9.373 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.750 -7.739 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.612 -8.373 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.959 -9.760 0.922 1.00 0.00 H new ATOM 0 HE ARG A 120 1.560 -10.466 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.631 -9.269 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.459 -10.113 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.346 -11.549 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.607 -11.399 -3.437 1.00 0.00 H new ATOM 1863 N GLN A 121 1.567 -8.517 5.796 1.00 0.00 N ATOM 1864 CA GLN A 121 0.676 -9.244 6.693 1.00 0.00 C ATOM 1865 C GLN A 121 -0.423 -8.331 7.226 1.00 0.00 C ATOM 1866 O GLN A 121 -1.570 -8.749 7.381 1.00 0.00 O ATOM 1867 CB GLN A 121 1.468 -9.842 7.857 1.00 0.00 C ATOM 1868 CG GLN A 121 2.294 -11.058 7.470 1.00 0.00 C ATOM 1869 CD GLN A 121 1.436 -12.240 7.061 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.303 -12.387 7.520 1.00 0.00 O ATOM 1871 NE2 GLN A 121 1.974 -13.089 6.194 1.00 0.00 N ATOM 0 H GLN A 121 2.485 -8.310 6.189 1.00 0.00 H new ATOM 0 HA GLN A 121 0.210 -10.051 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.130 -9.078 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.776 -10.121 8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.959 -10.794 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.926 -11.346 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.917 -12.927 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.445 -13.903 5.882 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.065 -7.082 7.506 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.033 -6.130 8.019 1.00 0.00 C ATOM 1882 C GLY A 122 -1.329 -5.016 7.034 1.00 0.00 C ATOM 1883 O GLY A 122 -1.705 -3.913 7.430 1.00 0.00 O ATOM 0 H GLY A 122 0.878 -6.712 7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.959 -6.652 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.658 -5.700 8.948 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.157 -5.304 5.749 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.407 -4.316 4.705 1.00 0.00 C ATOM 1889 C TRP A 123 -2.814 -4.468 4.138 1.00 0.00 C ATOM 1890 O TRP A 123 -3.666 -3.601 4.328 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.374 -4.456 3.585 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.043 -3.155 2.918 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.927 -2.268 3.287 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.684 -2.596 1.766 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.928 -1.191 2.434 1.00 0.00 N ATOM 1896 CE2 TRP A 123 -0.050 -1.368 1.492 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.729 -3.013 0.938 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.429 -0.556 0.427 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.105 -2.206 -0.118 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.456 -0.989 -0.367 1.00 0.00 C ATOM 0 H TRP A 123 -0.846 -6.212 5.405 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.320 -3.324 5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.539 -4.889 3.994 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.751 -5.154 2.838 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.595 -2.394 4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.556 -0.389 2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.234 -3.950 1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.070 0.382 0.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.913 -2.518 -0.763 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.773 -0.381 -1.202 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.050 -5.575 3.441 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.355 -5.839 2.846 1.00 0.00 C ATOM 1913 C GLN A 124 -5.413 -6.044 3.924 1.00 0.00 C ATOM 1914 O GLN A 124 -6.583 -5.712 3.731 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.286 -7.070 1.941 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.456 -6.857 0.686 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.672 -8.093 0.288 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.925 -8.693 -0.757 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.713 -8.479 1.122 1.00 0.00 N ATOM 0 H GLN A 124 -2.355 -6.303 3.275 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.636 -4.972 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.868 -7.903 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.298 -7.356 1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.113 -6.568 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.765 -6.030 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.538 -7.951 1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.152 -9.303 0.907 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.995 -6.593 5.060 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.908 -6.844 6.169 1.00 0.00 C ATOM 1930 C ARG A 125 -6.732 -5.600 6.487 1.00 0.00 C ATOM 1931 O ARG A 125 -7.840 -5.695 7.015 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.129 -7.284 7.410 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.916 -8.786 7.495 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.825 -9.255 8.938 1.00 0.00 C ATOM 1935 NE ARG A 125 -6.136 -9.582 9.492 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.411 -9.562 10.791 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.471 -9.234 11.666 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.629 -9.872 11.218 1.00 0.00 N ATOM 0 H ARG A 125 -4.030 -6.872 5.237 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.588 -7.643 5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.159 -6.787 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.662 -6.950 8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.737 -9.300 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.002 -9.056 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.179 -10.131 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.360 -8.477 9.543 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.882 -9.840 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.533 -8.996 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.685 -9.219 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.355 -10.126 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.839 -9.856 12.216 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.183 -4.435 6.162 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.866 -3.172 6.416 1.00 0.00 C ATOM 1954 C TYR A 126 -7.161 -2.440 5.110 1.00 0.00 C ATOM 1955 O TYR A 126 -8.218 -1.829 4.953 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.019 -2.285 7.330 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.225 -3.059 8.358 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.780 -4.147 9.019 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.918 -2.702 8.667 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.059 -4.856 9.959 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.188 -3.406 9.605 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.763 -4.482 10.249 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.040 -5.187 11.184 1.00 0.00 O ATOM 0 H TYR A 126 -5.268 -4.339 5.722 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.812 -3.393 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.333 -1.699 6.719 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.671 -1.579 7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.794 -4.444 8.794 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.465 -1.860 8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.507 -5.699 10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.173 -3.116 9.833 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.146 -4.795 11.269 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.219 -2.508 4.176 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.375 -1.851 2.884 1.00 0.00 C ATOM 1975 C TYR A 127 -7.566 -2.425 2.121 1.00 0.00 C ATOM 1976 O TYR A 127 -8.566 -1.741 1.903 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.101 -2.005 2.052 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.223 -0.774 2.056 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.871 -0.150 3.247 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.744 -0.235 0.868 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.070 0.975 3.255 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.941 0.890 0.867 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.607 1.491 2.063 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.808 2.611 2.066 1.00 0.00 O ATOM 0 H TYR A 127 -5.339 -3.012 4.290 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.558 -0.792 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.528 -2.851 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.375 -2.242 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.230 -0.552 4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.004 -0.703 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.808 1.448 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.577 1.296 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.252 2.614 2.873 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.450 -3.686 1.719 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.515 -4.354 0.981 1.00 0.00 C ATOM 1996 C PHE A 128 -9.443 -5.109 1.929 1.00 0.00 C ATOM 1997 O PHE A 128 -10.600 -4.732 2.111 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.924 -5.319 -0.048 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.725 -4.769 -0.767 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.496 -3.403 -0.813 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.829 -5.617 -1.397 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.394 -2.893 -1.474 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.725 -5.112 -2.058 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.508 -3.749 -2.098 1.00 0.00 C ATOM 0 H PHE A 128 -6.629 -4.266 1.892 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.096 -3.592 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.644 -6.245 0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.692 -5.572 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.186 -2.729 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.995 -6.684 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.226 -1.826 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -4.032 -5.784 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.647 -3.353 -2.616 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.926 -6.177 2.528 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.708 -6.986 3.455 1.00 0.00 C ATOM 2016 C GLU A 129 -10.672 -6.116 4.256 1.00 0.00 C ATOM 2017 O GLU A 129 -11.767 -6.549 4.612 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.784 -7.750 4.405 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.698 -8.540 3.694 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.049 -9.576 4.591 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -7.665 -9.945 5.613 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -5.925 -10.018 4.271 1.00 0.00 O ATOM 0 H GLU A 129 -7.969 -6.502 2.388 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.289 -7.701 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.317 -7.043 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.382 -8.433 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.126 -9.036 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.935 -7.853 3.327 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.256 -4.884 4.536 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.093 -3.972 5.293 1.00 0.00 C ATOM 2031 C GLY A 130 -12.227 -3.402 4.464 1.00 0.00 C ATOM 2032 O GLY A 130 -13.375 -3.370 4.910 1.00 0.00 O ATOM 0 H GLY A 130 -9.354 -4.502 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.505 -4.494 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.481 -3.155 5.676 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.906 -2.951 3.257 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.907 -2.379 2.365 1.00 0.00 C ATOM 2038 C ILE A 131 -13.804 -3.463 1.778 1.00 0.00 C ATOM 2039 O ILE A 131 -15.030 -3.392 1.877 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.252 -1.592 1.214 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.307 -0.525 1.770 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.317 -0.957 0.333 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.369 0.051 0.732 1.00 0.00 C ATOM 0 H ILE A 131 -10.961 -2.970 2.874 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.510 -1.697 2.964 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.670 -2.284 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.898 0.283 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.719 -0.958 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.838 -0.405 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.954 -1.736 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.923 -0.275 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.729 0.801 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.752 -0.746 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.949 0.514 -0.066 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.186 -4.469 1.169 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.927 -5.572 0.568 1.00 0.00 C ATOM 2057 C LYS A 132 -15.114 -5.969 1.440 1.00 0.00 C ATOM 2058 O LYS A 132 -16.180 -6.315 0.932 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.008 -6.778 0.360 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.119 -6.661 -0.866 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.107 -7.792 -0.931 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.531 -7.945 -2.330 1.00 0.00 C ATOM 2063 NZ LYS A 132 -9.877 -6.693 -2.801 1.00 0.00 N ATOM 0 H LYS A 132 -12.173 -4.543 1.078 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.304 -5.239 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.381 -6.903 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.617 -7.678 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.735 -6.671 -1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.596 -5.705 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.300 -7.601 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.582 -8.725 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -9.805 -8.758 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -11.327 -8.222 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.878 -6.671 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.399 -5.870 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -8.897 -6.662 -2.455 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.922 -5.913 2.754 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.978 -6.266 3.695 1.00 0.00 C ATOM 2079 C GLN A 133 -16.746 -5.026 4.142 1.00 0.00 C ATOM 2080 O GLN A 133 -17.977 -5.012 4.143 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.388 -6.981 4.912 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.585 -8.222 4.559 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.607 -9.264 5.659 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -13.559 -9.697 6.141 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.803 -9.674 6.063 1.00 0.00 N ATOM 0 H GLN A 133 -14.046 -5.627 3.191 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.671 -6.938 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.747 -6.287 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.198 -7.262 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -14.982 -8.658 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.553 -7.936 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.645 -9.289 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.880 -10.375 6.800 1.00 0.00 H new ATOM 2094 N THR A 134 -16.011 -3.986 4.522 1.00 0.00 N ATOM 2095 CA THR A 134 -16.622 -2.742 4.972 1.00 0.00 C ATOM 2096 C THR A 134 -17.566 -2.179 3.915 1.00 0.00 C ATOM 2097 O THR A 134 -18.758 -1.999 4.165 1.00 0.00 O ATOM 2098 CB THR A 134 -15.557 -1.682 5.310 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.811 -2.087 6.463 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.202 -0.328 5.566 1.00 0.00 C ATOM 0 H THR A 134 -14.991 -3.981 4.527 1.00 0.00 H new ATOM 0 HA THR A 134 -17.188 -2.977 5.873 1.00 0.00 H new ATOM 0 HB THR A 134 -14.885 -1.590 4.457 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.239 -2.849 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.430 0.404 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.744 -0.009 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.895 -0.408 6.403 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.025 -1.902 2.733 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.819 -1.358 1.638 1.00 0.00 C ATOM 2110 C PHE A 135 -18.512 -2.475 0.862 1.00 0.00 C ATOM 2111 O PHE A 135 -19.518 -2.249 0.192 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.934 -0.540 0.695 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.404 0.721 1.314 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.500 0.668 2.362 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.811 1.961 0.848 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.012 1.827 2.934 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.326 3.124 1.415 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.424 3.057 2.459 1.00 0.00 C ATOM 0 H PHE A 135 -16.040 -2.045 2.509 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.582 -0.707 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.096 -1.156 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.506 -0.285 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.173 -0.291 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.516 2.019 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.309 1.771 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.652 4.084 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.042 3.964 2.903 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.963 -3.683 0.958 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.540 -4.817 0.260 1.00 0.00 C ATOM 2130 C GLY A 136 -17.963 -4.997 -1.130 1.00 0.00 C ATOM 2131 O GLY A 136 -18.622 -5.539 -2.018 1.00 0.00 O ATOM 0 H GLY A 136 -17.130 -3.896 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.369 -5.723 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.619 -4.684 0.188 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.730 -4.540 -1.321 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.066 -4.650 -2.614 1.00 0.00 C ATOM 2137 C TYR A 137 -15.260 -5.942 -2.705 1.00 0.00 C ATOM 2138 O TYR A 137 -14.233 -6.001 -3.380 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.150 -3.447 -2.845 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.865 -2.118 -2.765 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.241 -2.035 -2.941 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.166 -0.944 -2.515 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.899 -0.822 -2.870 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.815 0.273 -2.440 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.182 0.329 -2.619 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.832 1.539 -2.547 1.00 0.00 O ATOM 0 H TYR A 137 -16.171 -4.090 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.834 -4.667 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.349 -3.464 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.682 -3.540 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.806 -2.934 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.096 -0.983 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.969 -0.776 -3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.256 1.176 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.182 2.249 -2.363 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.735 -6.978 -2.019 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.048 -8.256 -2.035 1.00 0.00 C ATOM 2158 C GLY A 138 -15.844 -9.334 -2.744 1.00 0.00 C ATOM 2159 O GLY A 138 -17.043 -9.179 -2.974 1.00 0.00 O ATOM 0 H GLY A 138 -16.583 -6.954 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.082 -8.140 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.849 -8.571 -1.011 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.176 -10.428 -3.093 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.828 -11.536 -3.780 1.00 0.00 C ATOM 2165 C ALA A 139 -15.709 -12.826 -2.977 1.00 0.00 C ATOM 2166 O ALA A 139 -14.627 -13.402 -2.866 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.235 -11.719 -5.169 1.00 0.00 C ATOM 0 H ALA A 139 -14.183 -10.571 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.887 -11.297 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.732 -12.550 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.379 -10.807 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.169 -11.931 -5.085 1.00 0.00 H new ATOM 2173 N SER A 140 -16.828 -13.276 -2.419 1.00 0.00 N ATOM 2174 CA SER A 140 -16.848 -14.497 -1.622 1.00 0.00 C ATOM 2175 C SER A 140 -16.166 -15.642 -2.365 1.00 0.00 C ATOM 2176 O SER A 140 -16.281 -15.761 -3.584 1.00 0.00 O ATOM 2177 CB SER A 140 -18.288 -14.883 -1.277 1.00 0.00 C ATOM 2178 OG SER A 140 -19.001 -15.279 -2.436 1.00 0.00 O ATOM 0 H SER A 140 -17.733 -12.813 -2.504 1.00 0.00 H new ATOM 0 HA SER A 140 -16.299 -14.308 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 140 -18.286 -15.697 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 140 -18.792 -14.038 -0.807 1.00 0.00 H new ATOM 0 HG SER A 140 -19.918 -15.522 -2.189 1.00 0.00 H new ATOM 2184 N GLY A 141 -15.455 -16.483 -1.620 1.00 0.00 N ATOM 2185 CA GLY A 141 -14.765 -17.608 -2.224 1.00 0.00 C ATOM 2186 C GLY A 141 -14.596 -18.768 -1.264 1.00 0.00 C ATOM 2187 O GLY A 141 -14.381 -18.584 -0.066 1.00 0.00 O ATOM 0 H GLY A 141 -15.345 -16.405 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -15.321 -17.943 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.785 -17.284 -2.573 1.00 0.00 H new ATOM 2191 N PRO A 142 -14.696 -19.997 -1.792 1.00 0.00 N ATOM 2192 CA PRO A 142 -14.558 -21.217 -0.990 1.00 0.00 C ATOM 2193 C PRO A 142 -13.332 -21.178 -0.083 1.00 0.00 C ATOM 2194 O PRO A 142 -13.426 -21.448 1.114 1.00 0.00 O ATOM 2195 CB PRO A 142 -14.409 -22.318 -2.043 1.00 0.00 C ATOM 2196 CG PRO A 142 -15.119 -21.793 -3.243 1.00 0.00 C ATOM 2197 CD PRO A 142 -14.952 -20.291 -3.212 1.00 0.00 C ATOM 0 HA PRO A 142 -15.404 -21.362 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -13.360 -22.519 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -14.849 -23.255 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -14.699 -22.212 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -16.174 -22.067 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -14.125 -19.967 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -15.846 -19.781 -3.572 1.00 0.00 H new ATOM 2205 N SER A 143 -12.184 -20.840 -0.661 1.00 0.00 N ATOM 2206 CA SER A 143 -10.939 -20.769 0.095 1.00 0.00 C ATOM 2207 C SER A 143 -10.283 -19.402 -0.066 1.00 0.00 C ATOM 2208 O SER A 143 -10.269 -18.832 -1.157 1.00 0.00 O ATOM 2209 CB SER A 143 -9.977 -21.867 -0.363 1.00 0.00 C ATOM 2210 OG SER A 143 -9.770 -21.812 -1.764 1.00 0.00 O ATOM 0 H SER A 143 -12.090 -20.611 -1.651 1.00 0.00 H new ATOM 0 HA SER A 143 -11.173 -20.918 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 143 -9.023 -21.758 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 143 -10.378 -22.843 -0.089 1.00 0.00 H new ATOM 0 HG SER A 143 -9.150 -22.523 -2.031 1.00 0.00 H new ATOM 2216 N SER A 144 -9.740 -18.880 1.029 1.00 0.00 N ATOM 2217 CA SER A 144 -9.084 -17.578 1.012 1.00 0.00 C ATOM 2218 C SER A 144 -7.991 -17.534 -0.051 1.00 0.00 C ATOM 2219 O SER A 144 -8.007 -16.682 -0.939 1.00 0.00 O ATOM 2220 CB SER A 144 -8.488 -17.265 2.386 1.00 0.00 C ATOM 2221 OG SER A 144 -9.454 -16.672 3.237 1.00 0.00 O ATOM 0 H SER A 144 -9.741 -19.339 1.940 1.00 0.00 H new ATOM 0 HA SER A 144 -9.833 -16.825 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 144 -8.112 -18.182 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 144 -7.637 -16.593 2.273 1.00 0.00 H new ATOM 0 HG SER A 144 -9.049 -16.483 4.109 1.00 0.00 H new ATOM 2227 N GLY A 145 -7.041 -18.459 0.046 1.00 0.00 N ATOM 2228 CA GLY A 145 -5.953 -18.509 -0.912 1.00 0.00 C ATOM 2229 C GLY A 145 -4.664 -17.937 -0.356 1.00 0.00 C ATOM 2230 O GLY A 145 -4.632 -17.441 0.770 1.00 0.00 O ATOM 0 H GLY A 145 -7.006 -19.175 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -5.787 -19.543 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -6.236 -17.956 -1.808 1.00 0.00 H new TER 2234 GLY A 145