USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1079 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 110 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.9) USER MOD Set 1.2: A 114 GLN : amide:sc= -0.0189 X(o=-1.8,f=-1.7) USER MOD Set 2.1: A 92 SER OG : rot -28:sc= 0.18 USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 99 HIS : +bothHN:sc= -0.0745! C(o=-2.1!,f=-7.3!) USER MOD Set 3.2: A 105 GLN : amide:sc= -2.07! X(o=-2.1!,f=-1.8) USER MOD Set 4.1: A 73 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.2: A 86 LYS NZ :NH3+ -164:sc= 2.43 (180deg=0.663) USER MOD Single : A 1 SER N :NH3+ 162:sc= 1.33 (180deg=0.833) USER MOD Single : A 1 SER OG : rot 180:sc= 0.032 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= 0.628 (180deg=0.278) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 1.18 (180deg=1.05) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.123 K(o=0.12,f=-1.8) USER MOD Single : A 29 THR OG1 : rot 11:sc= 0.186 USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.855) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.914 K(o=0.91,f=-1.3) USER MOD Single : A 47 CYS SG : rot 51:sc= -3.07! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= 1.19 (180deg=0.215) USER MOD Single : A 53 SER OG : rot 81:sc= 0.113 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.056) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.454 F(o=-2.8!,f=0.45) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.991) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.008 (180deg=-0.164) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.41) USER MOD Single : A 72 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.2) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 1.1 (180deg=1.05) USER MOD Single : A 80 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 85 THR OG1 : rot 51:sc= 0.776 USER MOD Single : A 90 THR OG1 : rot 7:sc= 1.22 USER MOD Single : A 91 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000445 USER MOD Single : A 106 SER OG : rot 72:sc= 0.419 USER MOD Single : A 109 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 MET CE :methyl -163:sc= -1.13 (180deg=-2.17!) USER MOD Single : A 116 SER OG : rot 180:sc=0.000555 USER MOD Single : A 117 TYR OH : rot 35:sc= 0.533 USER MOD Single : A 118 THR OG1 : rot -139:sc= 0.626 USER MOD Single : A 122 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.182) USER MOD Single : A 123 SER OG : rot -90:sc= 0.934 USER MOD Single : A 126 TYR OH : rot 10:sc= 0.83 USER MOD Single : A 130 MET CE :methyl 142:sc= -1.59 (180deg=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.261 -6.642 -10.127 1.00 0.00 N ATOM 2 CA SER A 1 -13.654 -7.686 -11.095 1.00 0.00 C ATOM 3 C SER A 1 -15.085 -8.168 -10.817 1.00 0.00 C ATOM 4 O SER A 1 -16.013 -7.848 -11.561 1.00 0.00 O ATOM 5 CB SER A 1 -12.669 -8.858 -11.010 1.00 0.00 C ATOM 6 OG SER A 1 -11.328 -8.395 -11.019 1.00 0.00 O ATOM 0 H1 SER A 1 -12.226 -6.544 -10.123 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.693 -5.736 -10.399 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.587 -6.909 -9.176 1.00 0.00 H new ATOM 0 HA SER A 1 -13.627 -7.267 -12.101 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.855 -9.429 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.830 -9.535 -11.849 1.00 0.00 H new ATOM 0 HG SER A 1 -10.718 -9.160 -10.962 1.00 0.00 H new ATOM 14 N MET A 2 -15.253 -8.928 -9.734 1.00 0.00 N ATOM 15 CA MET A 2 -16.555 -9.449 -9.329 1.00 0.00 C ATOM 16 C MET A 2 -16.610 -9.572 -7.805 1.00 0.00 C ATOM 17 O MET A 2 -16.012 -10.481 -7.222 1.00 0.00 O ATOM 18 CB MET A 2 -16.815 -10.815 -9.982 1.00 0.00 C ATOM 19 CG MET A 2 -18.144 -11.449 -9.583 1.00 0.00 C ATOM 20 SD MET A 2 -18.410 -13.051 -10.374 1.00 0.00 S ATOM 21 CE MET A 2 -20.010 -13.507 -9.706 1.00 0.00 C ATOM 0 H MET A 2 -14.489 -9.198 -9.114 1.00 0.00 H new ATOM 0 HA MET A 2 -17.330 -8.758 -9.660 1.00 0.00 H new ATOM 0 HB2 MET A 2 -16.790 -10.699 -11.066 1.00 0.00 H new ATOM 0 HB3 MET A 2 -16.005 -11.494 -9.715 1.00 0.00 H new ATOM 0 HG2 MET A 2 -18.174 -11.572 -8.500 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.959 -10.776 -9.850 1.00 0.00 H new ATOM 0 HE1 MET A 2 -20.308 -14.477 -10.105 1.00 0.00 H new ATOM 0 HE2 MET A 2 -19.947 -13.565 -8.619 1.00 0.00 H new ATOM 0 HE3 MET A 2 -20.749 -12.757 -9.987 1.00 0.00 H new ATOM 31 N VAL A 3 -17.313 -8.644 -7.163 1.00 0.00 N ATOM 32 CA VAL A 3 -17.415 -8.616 -5.706 1.00 0.00 C ATOM 33 C VAL A 3 -18.877 -8.606 -5.260 1.00 0.00 C ATOM 34 O VAL A 3 -19.738 -8.039 -5.933 1.00 0.00 O ATOM 35 CB VAL A 3 -16.676 -7.383 -5.112 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.091 -6.098 -5.827 1.00 0.00 C ATOM 37 CG2 VAL A 3 -16.929 -7.261 -3.610 1.00 0.00 C ATOM 0 H VAL A 3 -17.824 -7.896 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 3 -16.938 -9.521 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.608 -7.533 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.559 -5.252 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.845 -6.175 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.165 -5.949 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.400 -6.391 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -17.998 -7.147 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.570 -8.158 -3.106 1.00 0.00 H new ATOM 47 N SER A 4 -19.141 -9.251 -4.130 1.00 0.00 N ATOM 48 CA SER A 4 -20.470 -9.286 -3.534 1.00 0.00 C ATOM 49 C SER A 4 -20.451 -8.551 -2.188 1.00 0.00 C ATOM 50 O SER A 4 -19.394 -8.438 -1.563 1.00 0.00 O ATOM 51 CB SER A 4 -20.905 -10.746 -3.351 1.00 0.00 C ATOM 52 OG SER A 4 -20.862 -11.447 -4.587 1.00 0.00 O ATOM 0 H SER A 4 -18.437 -9.766 -3.600 1.00 0.00 H new ATOM 0 HA SER A 4 -21.184 -8.787 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.253 -11.236 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.916 -10.780 -2.944 1.00 0.00 H new ATOM 0 HG SER A 4 -21.141 -12.376 -4.446 1.00 0.00 H new ATOM 58 N PRO A 5 -21.614 -8.039 -1.722 1.00 0.00 N ATOM 59 CA PRO A 5 -21.708 -7.284 -0.458 1.00 0.00 C ATOM 60 C PRO A 5 -21.028 -8.002 0.713 1.00 0.00 C ATOM 61 O PRO A 5 -20.409 -7.370 1.571 1.00 0.00 O ATOM 62 CB PRO A 5 -23.220 -7.179 -0.227 1.00 0.00 C ATOM 63 CG PRO A 5 -23.811 -7.221 -1.595 1.00 0.00 C ATOM 64 CD PRO A 5 -22.928 -8.143 -2.396 1.00 0.00 C ATOM 0 HA PRO A 5 -21.202 -6.321 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -23.585 -8.001 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -23.479 -6.255 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.837 -7.589 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -23.841 -6.226 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.304 -9.166 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -22.869 -7.835 -3.440 1.00 0.00 H new ATOM 72 N GLU A 6 -21.146 -9.325 0.732 1.00 0.00 N ATOM 73 CA GLU A 6 -20.541 -10.152 1.776 1.00 0.00 C ATOM 74 C GLU A 6 -19.013 -10.063 1.725 1.00 0.00 C ATOM 75 O GLU A 6 -18.340 -10.063 2.757 1.00 0.00 O ATOM 76 CB GLU A 6 -21.007 -11.611 1.630 1.00 0.00 C ATOM 77 CG GLU A 6 -22.474 -11.842 2.000 1.00 0.00 C ATOM 78 CD GLU A 6 -23.432 -10.885 1.304 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.461 -10.864 0.054 1.00 0.00 O ATOM 80 OE2 GLU A 6 -24.162 -10.149 2.004 1.00 0.00 O ATOM 0 H GLU A 6 -21.661 -9.855 0.029 1.00 0.00 H new ATOM 0 HA GLU A 6 -20.865 -9.777 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.850 -11.929 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.381 -12.245 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.748 -12.866 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.589 -11.739 3.079 1.00 0.00 H new ATOM 87 N GLU A 7 -18.470 -9.975 0.518 1.00 0.00 N ATOM 88 CA GLU A 7 -17.034 -9.793 0.334 1.00 0.00 C ATOM 89 C GLU A 7 -16.635 -8.398 0.821 1.00 0.00 C ATOM 90 O GLU A 7 -15.575 -8.210 1.415 1.00 0.00 O ATOM 91 CB GLU A 7 -16.669 -9.982 -1.146 1.00 0.00 C ATOM 92 CG GLU A 7 -15.185 -9.820 -1.467 1.00 0.00 C ATOM 93 CD GLU A 7 -14.298 -10.846 -0.774 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.646 -12.049 -0.792 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.235 -10.461 -0.243 1.00 0.00 O ATOM 0 H GLU A 7 -19.002 -10.027 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.490 -10.537 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.987 -10.976 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.235 -9.264 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.044 -9.899 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.865 -8.819 -1.176 1.00 0.00 H new ATOM 102 N ALA A 8 -17.523 -7.432 0.596 1.00 0.00 N ATOM 103 CA ALA A 8 -17.290 -6.050 1.002 1.00 0.00 C ATOM 104 C ALA A 8 -17.241 -5.918 2.526 1.00 0.00 C ATOM 105 O ALA A 8 -16.397 -5.199 3.067 1.00 0.00 O ATOM 106 CB ALA A 8 -18.363 -5.137 0.413 1.00 0.00 C ATOM 0 H ALA A 8 -18.418 -7.584 0.130 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.319 -5.742 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.177 -4.109 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.335 -5.198 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.344 -5.452 0.769 1.00 0.00 H new ATOM 112 N VAL A 9 -18.140 -6.617 3.225 1.00 0.00 N ATOM 113 CA VAL A 9 -18.154 -6.577 4.689 1.00 0.00 C ATOM 114 C VAL A 9 -16.940 -7.316 5.251 1.00 0.00 C ATOM 115 O VAL A 9 -16.511 -7.063 6.380 1.00 0.00 O ATOM 116 CB VAL A 9 -19.460 -7.157 5.299 1.00 0.00 C ATOM 117 CG1 VAL A 9 -20.685 -6.433 4.745 1.00 0.00 C ATOM 118 CG2 VAL A 9 -19.567 -8.662 5.069 1.00 0.00 C ATOM 0 H VAL A 9 -18.858 -7.209 2.808 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.110 -5.526 4.973 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.422 -6.992 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.588 -6.856 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.623 -5.373 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -20.720 -6.553 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.493 -9.032 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.567 -8.867 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.718 -9.163 5.535 1.00 0.00 H new ATOM 128 N LYS A 10 -16.386 -8.231 4.454 1.00 0.00 N ATOM 129 CA LYS A 10 -15.121 -8.877 4.796 1.00 0.00 C ATOM 130 C LYS A 10 -13.990 -7.856 4.752 1.00 0.00 C ATOM 131 O LYS A 10 -13.102 -7.854 5.605 1.00 0.00 O ATOM 132 CB LYS A 10 -14.838 -10.058 3.850 1.00 0.00 C ATOM 133 CG LYS A 10 -15.674 -11.295 4.162 1.00 0.00 C ATOM 134 CD LYS A 10 -15.369 -11.818 5.561 1.00 0.00 C ATOM 135 CE LYS A 10 -16.314 -12.927 5.993 1.00 0.00 C ATOM 136 NZ LYS A 10 -16.041 -13.351 7.389 1.00 0.00 N ATOM 0 H LYS A 10 -16.793 -8.540 3.571 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.190 -9.275 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.032 -9.747 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.781 -10.318 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.734 -11.052 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.469 -12.072 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.344 -12.188 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.431 -10.995 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.345 -12.583 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.208 -13.781 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.902 -13.764 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.280 -14.060 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.749 -12.526 7.952 1.00 0.00 H new ATOM 150 N TRP A 11 -14.040 -6.970 3.771 1.00 0.00 N ATOM 151 CA TRP A 11 -13.077 -5.878 3.682 1.00 0.00 C ATOM 152 C TRP A 11 -13.213 -4.971 4.904 1.00 0.00 C ATOM 153 O TRP A 11 -12.252 -4.325 5.328 1.00 0.00 O ATOM 154 CB TRP A 11 -13.297 -5.078 2.394 1.00 0.00 C ATOM 155 CG TRP A 11 -13.206 -5.912 1.149 1.00 0.00 C ATOM 156 CD1 TRP A 11 -12.696 -7.175 1.040 1.00 0.00 C ATOM 157 CD2 TRP A 11 -13.623 -5.533 -0.166 1.00 0.00 C ATOM 158 NE1 TRP A 11 -12.783 -7.609 -0.256 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.344 -6.617 -1.019 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.208 -4.384 -0.705 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -13.629 -6.585 -2.379 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.489 -4.353 -2.057 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.200 -5.447 -2.881 1.00 0.00 C ATOM 0 H TRP A 11 -14.735 -6.983 3.025 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.069 -6.292 3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.278 -4.604 2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.558 -4.279 2.341 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -12.284 -7.748 1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -12.480 -8.521 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.436 -3.536 -0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -13.408 -7.428 -3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -14.939 -3.470 -2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.432 -5.392 -3.934 1.00 0.00 H new ATOM 174 N GLY A 12 -14.419 -4.952 5.470 1.00 0.00 N ATOM 175 CA GLY A 12 -14.695 -4.156 6.652 1.00 0.00 C ATOM 176 C GLY A 12 -14.060 -4.725 7.910 1.00 0.00 C ATOM 177 O GLY A 12 -13.682 -3.976 8.812 1.00 0.00 O ATOM 0 H GLY A 12 -15.219 -5.482 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.330 -3.141 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.774 -4.088 6.794 1.00 0.00 H new ATOM 181 N GLU A 13 -13.934 -6.052 7.982 1.00 0.00 N ATOM 182 CA GLU A 13 -13.355 -6.690 9.166 1.00 0.00 C ATOM 183 C GLU A 13 -11.825 -6.674 9.110 1.00 0.00 C ATOM 184 O GLU A 13 -11.166 -6.760 10.147 1.00 0.00 O ATOM 185 CB GLU A 13 -13.871 -8.133 9.346 1.00 0.00 C ATOM 186 CG GLU A 13 -13.539 -9.069 8.191 1.00 0.00 C ATOM 187 CD GLU A 13 -13.966 -10.511 8.435 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.181 -10.762 8.607 1.00 0.00 O ATOM 189 OE2 GLU A 13 -13.095 -11.405 8.419 1.00 0.00 O ATOM 0 H GLU A 13 -14.220 -6.698 7.246 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.675 -6.109 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.450 -8.544 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.953 -8.105 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.024 -8.703 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.465 -9.042 8.010 1.00 0.00 H new ATOM 196 N SER A 14 -11.255 -6.564 7.906 1.00 0.00 N ATOM 197 CA SER A 14 -9.797 -6.548 7.749 1.00 0.00 C ATOM 198 C SER A 14 -9.358 -5.768 6.500 1.00 0.00 C ATOM 199 O SER A 14 -9.519 -6.238 5.368 1.00 0.00 O ATOM 200 CB SER A 14 -9.253 -7.984 7.687 1.00 0.00 C ATOM 201 OG SER A 14 -9.580 -8.712 8.861 1.00 0.00 O ATOM 0 H SER A 14 -11.776 -6.485 7.032 1.00 0.00 H new ATOM 0 HA SER A 14 -9.384 -6.038 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.664 -8.493 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.171 -7.960 7.562 1.00 0.00 H new ATOM 0 HG SER A 14 -9.222 -9.622 8.792 1.00 0.00 H new ATOM 207 N PHE A 15 -8.785 -4.580 6.725 1.00 0.00 N ATOM 208 CA PHE A 15 -8.222 -3.752 5.650 1.00 0.00 C ATOM 209 C PHE A 15 -7.214 -4.559 4.820 1.00 0.00 C ATOM 210 O PHE A 15 -7.013 -4.295 3.632 1.00 0.00 O ATOM 211 CB PHE A 15 -7.553 -2.501 6.258 1.00 0.00 C ATOM 212 CG PHE A 15 -6.916 -1.562 5.257 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.658 -1.011 4.224 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.576 -1.213 5.364 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.080 -0.137 3.322 1.00 0.00 C ATOM 216 CE2 PHE A 15 -4.993 -0.343 4.462 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.746 0.196 3.440 1.00 0.00 C ATOM 0 H PHE A 15 -8.698 -4.166 7.653 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.025 -3.435 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.301 -1.948 6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.790 -2.824 6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.702 -1.268 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.981 -1.628 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.673 0.285 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.949 -0.085 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.293 0.877 2.734 1.00 0.00 H new ATOM 227 N ASP A 16 -6.598 -5.554 5.456 1.00 0.00 N ATOM 228 CA ASP A 16 -5.653 -6.444 4.780 1.00 0.00 C ATOM 229 C ASP A 16 -6.313 -7.170 3.612 1.00 0.00 C ATOM 230 O ASP A 16 -5.832 -7.101 2.480 1.00 0.00 O ATOM 231 CB ASP A 16 -5.075 -7.474 5.761 1.00 0.00 C ATOM 232 CG ASP A 16 -4.229 -8.534 5.061 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.087 -8.222 4.668 1.00 0.00 O ATOM 234 OD2 ASP A 16 -4.713 -9.677 4.889 1.00 0.00 O ATOM 0 H ASP A 16 -6.737 -5.766 6.444 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.844 -5.823 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.466 -6.961 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.891 -7.960 6.296 1.00 0.00 H new ATOM 239 N LYS A 17 -7.430 -7.850 3.878 1.00 0.00 N ATOM 240 CA LYS A 17 -8.078 -8.665 2.849 1.00 0.00 C ATOM 241 C LYS A 17 -8.736 -7.777 1.796 1.00 0.00 C ATOM 242 O LYS A 17 -8.998 -8.222 0.677 1.00 0.00 O ATOM 243 CB LYS A 17 -9.083 -9.657 3.456 1.00 0.00 C ATOM 244 CG LYS A 17 -10.227 -9.018 4.233 1.00 0.00 C ATOM 245 CD LYS A 17 -11.147 -10.074 4.848 1.00 0.00 C ATOM 246 CE LYS A 17 -10.398 -10.997 5.805 1.00 0.00 C ATOM 247 NZ LYS A 17 -11.285 -12.032 6.395 1.00 0.00 N ATOM 0 H LYS A 17 -7.899 -7.853 4.784 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.306 -9.258 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.503 -10.263 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.546 -10.335 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.823 -8.383 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.804 -8.374 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.959 -9.581 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.601 -10.666 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.580 -11.482 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.952 -10.405 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.715 -12.850 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.779 -11.636 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.983 -12.336 5.687 1.00 0.00 H new ATOM 261 N LEU A 18 -8.990 -6.519 2.157 1.00 0.00 N ATOM 262 CA LEU A 18 -9.408 -5.512 1.182 1.00 0.00 C ATOM 263 C LEU A 18 -8.333 -5.376 0.104 1.00 0.00 C ATOM 264 O LEU A 18 -8.617 -5.427 -1.091 1.00 0.00 O ATOM 265 CB LEU A 18 -9.643 -4.157 1.879 1.00 0.00 C ATOM 266 CG LEU A 18 -9.899 -2.952 0.949 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.144 -3.165 0.099 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.023 -1.662 1.755 1.00 0.00 C ATOM 0 H LEU A 18 -8.914 -6.174 3.114 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.344 -5.825 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.495 -4.260 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.774 -3.934 2.498 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.043 -2.864 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.297 -2.299 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.017 -4.056 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.010 -3.292 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.203 -0.826 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.854 -1.749 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.100 -1.489 2.308 1.00 0.00 H new ATOM 280 N LEU A 19 -7.092 -5.233 0.550 1.00 0.00 N ATOM 281 CA LEU A 19 -5.945 -5.080 -0.346 1.00 0.00 C ATOM 282 C LEU A 19 -5.538 -6.427 -0.949 1.00 0.00 C ATOM 283 O LEU A 19 -4.984 -6.487 -2.048 1.00 0.00 O ATOM 284 CB LEU A 19 -4.766 -4.465 0.427 1.00 0.00 C ATOM 285 CG LEU A 19 -4.833 -2.939 0.679 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.268 -2.453 0.859 1.00 0.00 C ATOM 287 CD2 LEU A 19 -4.005 -2.572 1.906 1.00 0.00 C ATOM 0 H LEU A 19 -6.849 -5.219 1.540 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.227 -4.417 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.689 -4.968 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.848 -4.682 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.422 -2.445 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.269 -1.377 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.843 -2.675 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.719 -2.959 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.060 -1.496 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.396 -3.095 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.967 -2.862 1.744 1.00 0.00 H new ATOM 299 N SER A 20 -5.822 -7.502 -0.219 1.00 0.00 N ATOM 300 CA SER A 20 -5.459 -8.851 -0.644 1.00 0.00 C ATOM 301 C SER A 20 -6.385 -9.327 -1.770 1.00 0.00 C ATOM 302 O SER A 20 -6.014 -10.188 -2.577 1.00 0.00 O ATOM 303 CB SER A 20 -5.523 -9.806 0.560 1.00 0.00 C ATOM 304 OG SER A 20 -4.913 -11.059 0.279 1.00 0.00 O ATOM 0 H SER A 20 -6.307 -7.464 0.678 1.00 0.00 H new ATOM 0 HA SER A 20 -4.440 -8.843 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.028 -9.345 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.564 -9.965 0.842 1.00 0.00 H new ATOM 0 HG SER A 20 -4.973 -11.636 1.069 1.00 0.00 H new ATOM 310 N HIS A 21 -7.591 -8.763 -1.822 1.00 0.00 N ATOM 311 CA HIS A 21 -8.549 -9.093 -2.873 1.00 0.00 C ATOM 312 C HIS A 21 -8.380 -8.109 -4.029 1.00 0.00 C ATOM 313 O HIS A 21 -8.415 -6.896 -3.814 1.00 0.00 O ATOM 314 CB HIS A 21 -9.997 -9.033 -2.336 1.00 0.00 C ATOM 315 CG HIS A 21 -10.848 -10.200 -2.745 1.00 0.00 C ATOM 316 ND1 HIS A 21 -11.751 -10.157 -3.787 1.00 0.00 N ATOM 317 CD2 HIS A 21 -10.942 -11.448 -2.226 1.00 0.00 C ATOM 318 CE1 HIS A 21 -12.361 -11.321 -3.886 1.00 0.00 C ATOM 319 NE2 HIS A 21 -11.888 -12.121 -2.954 1.00 0.00 N ATOM 0 H HIS A 21 -7.927 -8.075 -1.148 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.359 -10.109 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.968 -8.981 -1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.466 -8.114 -2.687 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -11.920 -9.350 -4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.377 -11.840 -1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.121 -11.576 -4.610 1.00 0.00 H new ATOM 328 N ARG A 22 -8.195 -8.627 -5.244 1.00 0.00 N ATOM 329 CA ARG A 22 -8.035 -7.781 -6.430 1.00 0.00 C ATOM 330 C ARG A 22 -9.169 -6.764 -6.520 1.00 0.00 C ATOM 331 O ARG A 22 -8.949 -5.609 -6.869 1.00 0.00 O ATOM 332 CB ARG A 22 -7.994 -8.638 -7.707 1.00 0.00 C ATOM 333 CG ARG A 22 -8.066 -7.824 -8.999 1.00 0.00 C ATOM 334 CD ARG A 22 -7.998 -8.709 -10.240 1.00 0.00 C ATOM 335 NE ARG A 22 -6.653 -9.252 -10.460 1.00 0.00 N ATOM 336 CZ ARG A 22 -6.391 -10.531 -10.741 1.00 0.00 C ATOM 337 NH1 ARG A 22 -7.373 -11.424 -10.784 1.00 0.00 N ATOM 338 NH2 ARG A 22 -5.145 -10.913 -10.976 1.00 0.00 N ATOM 0 H ARG A 22 -8.152 -9.628 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.090 -7.246 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.076 -9.226 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.824 -9.344 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.993 -7.250 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.246 -7.106 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.707 -9.530 -10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.302 -8.132 -11.113 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.864 -8.609 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.334 -11.134 -10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.166 -12.399 -10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.387 -10.231 -10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.943 -11.889 -11.191 1.00 0.00 H new ATOM 352 N ASP A 23 -10.378 -7.209 -6.189 1.00 0.00 N ATOM 353 CA ASP A 23 -11.562 -6.348 -6.209 1.00 0.00 C ATOM 354 C ASP A 23 -11.415 -5.194 -5.229 1.00 0.00 C ATOM 355 O ASP A 23 -11.796 -4.061 -5.525 1.00 0.00 O ATOM 356 CB ASP A 23 -12.812 -7.153 -5.854 1.00 0.00 C ATOM 357 CG ASP A 23 -12.986 -8.355 -6.750 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.519 -8.196 -7.861 1.00 0.00 O ATOM 359 OD2 ASP A 23 -12.564 -9.458 -6.353 1.00 0.00 O ATOM 0 H ASP A 23 -10.567 -8.169 -5.901 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.661 -5.945 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.749 -7.481 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.690 -6.512 -5.933 1.00 0.00 H new ATOM 364 N GLY A 24 -10.863 -5.493 -4.060 1.00 0.00 N ATOM 365 CA GLY A 24 -10.683 -4.478 -3.042 1.00 0.00 C ATOM 366 C GLY A 24 -9.653 -3.457 -3.455 1.00 0.00 C ATOM 367 O GLY A 24 -9.893 -2.254 -3.377 1.00 0.00 O ATOM 0 H GLY A 24 -10.536 -6.423 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.634 -3.980 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.376 -4.949 -2.108 1.00 0.00 H new ATOM 371 N LEU A 25 -8.505 -3.947 -3.909 1.00 0.00 N ATOM 372 CA LEU A 25 -7.450 -3.096 -4.447 1.00 0.00 C ATOM 373 C LEU A 25 -7.983 -2.282 -5.628 1.00 0.00 C ATOM 374 O LEU A 25 -7.656 -1.105 -5.787 1.00 0.00 O ATOM 375 CB LEU A 25 -6.248 -3.973 -4.857 1.00 0.00 C ATOM 376 CG LEU A 25 -5.067 -3.254 -5.550 1.00 0.00 C ATOM 377 CD1 LEU A 25 -3.755 -3.991 -5.280 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.297 -3.145 -7.060 1.00 0.00 C ATOM 0 H LEU A 25 -8.280 -4.942 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.117 -2.390 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.868 -4.468 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.610 -4.755 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.003 -2.248 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.936 -3.470 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.569 -4.021 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.823 -5.008 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.451 -2.635 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.395 -4.143 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.209 -2.579 -7.249 1.00 0.00 H new ATOM 390 N GLU A 26 -8.820 -2.925 -6.435 1.00 0.00 N ATOM 391 CA GLU A 26 -9.439 -2.301 -7.602 1.00 0.00 C ATOM 392 C GLU A 26 -10.305 -1.114 -7.175 1.00 0.00 C ATOM 393 O GLU A 26 -10.155 0.002 -7.683 1.00 0.00 O ATOM 394 CB GLU A 26 -10.282 -3.356 -8.338 1.00 0.00 C ATOM 395 CG GLU A 26 -10.956 -2.875 -9.618 1.00 0.00 C ATOM 396 CD GLU A 26 -11.807 -3.966 -10.257 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.252 -4.813 -10.993 1.00 0.00 O ATOM 398 OE2 GLU A 26 -13.031 -4.001 -10.014 1.00 0.00 O ATOM 0 H GLU A 26 -9.090 -3.899 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.667 -1.924 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.642 -4.204 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.051 -3.722 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.581 -2.010 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.196 -2.546 -10.327 1.00 0.00 H new ATOM 405 N ALA A 27 -11.194 -1.359 -6.218 1.00 0.00 N ATOM 406 CA ALA A 27 -12.080 -0.324 -5.701 1.00 0.00 C ATOM 407 C ALA A 27 -11.295 0.721 -4.911 1.00 0.00 C ATOM 408 O ALA A 27 -11.631 1.907 -4.918 1.00 0.00 O ATOM 409 CB ALA A 27 -13.168 -0.946 -4.830 1.00 0.00 C ATOM 0 H ALA A 27 -11.320 -2.273 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.552 0.176 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.823 -0.162 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.751 -1.650 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.708 -1.471 -3.993 1.00 0.00 H new ATOM 415 N PHE A 28 -10.234 0.277 -4.249 1.00 0.00 N ATOM 416 CA PHE A 28 -9.439 1.147 -3.390 1.00 0.00 C ATOM 417 C PHE A 28 -8.582 2.102 -4.222 1.00 0.00 C ATOM 418 O PHE A 28 -8.414 3.264 -3.856 1.00 0.00 O ATOM 419 CB PHE A 28 -8.556 0.311 -2.450 1.00 0.00 C ATOM 420 CG PHE A 28 -7.857 1.122 -1.383 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.565 1.608 -0.291 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.499 1.397 -1.472 1.00 0.00 C ATOM 423 CE1 PHE A 28 -7.932 2.352 0.686 1.00 0.00 C ATOM 424 CE2 PHE A 28 -5.863 2.140 -0.495 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.579 2.617 0.585 1.00 0.00 C ATOM 0 H PHE A 28 -9.902 -0.687 -4.291 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.122 1.745 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.172 -0.449 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.807 -0.214 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.622 1.402 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.933 1.026 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.494 2.727 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.806 2.347 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.083 3.196 1.350 1.00 0.00 H new ATOM 435 N THR A 29 -8.051 1.621 -5.347 1.00 0.00 N ATOM 436 CA THR A 29 -7.198 2.452 -6.192 1.00 0.00 C ATOM 437 C THR A 29 -8.026 3.525 -6.902 1.00 0.00 C ATOM 438 O THR A 29 -7.631 4.687 -6.932 1.00 0.00 O ATOM 439 CB THR A 29 -6.384 1.624 -7.229 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.484 2.479 -7.957 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.290 0.896 -8.216 1.00 0.00 C ATOM 0 H THR A 29 -8.195 0.671 -5.690 1.00 0.00 H new ATOM 0 HA THR A 29 -6.476 2.931 -5.531 1.00 0.00 H new ATOM 0 HB THR A 29 -5.819 0.879 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.454 3.361 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.680 0.331 -8.921 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.944 0.213 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.894 1.623 -8.760 1.00 0.00 H new ATOM 449 N ARG A 30 -9.188 3.148 -7.449 1.00 0.00 N ATOM 450 CA ARG A 30 -10.052 4.120 -8.125 1.00 0.00 C ATOM 451 C ARG A 30 -10.568 5.158 -7.128 1.00 0.00 C ATOM 452 O ARG A 30 -10.774 6.321 -7.477 1.00 0.00 O ATOM 453 CB ARG A 30 -11.234 3.435 -8.831 1.00 0.00 C ATOM 454 CG ARG A 30 -12.125 2.612 -7.904 1.00 0.00 C ATOM 455 CD ARG A 30 -13.466 2.274 -8.547 1.00 0.00 C ATOM 456 NE ARG A 30 -14.308 3.464 -8.702 1.00 0.00 N ATOM 457 CZ ARG A 30 -15.621 3.435 -8.940 1.00 0.00 C ATOM 458 NH1 ARG A 30 -16.251 2.276 -9.095 1.00 0.00 N ATOM 459 NH2 ARG A 30 -16.302 4.568 -9.026 1.00 0.00 N ATOM 0 H ARG A 30 -9.546 2.193 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.452 4.619 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.842 4.197 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.847 2.785 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.611 1.690 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.296 3.165 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.297 1.818 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.987 1.537 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.860 4.377 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.731 1.401 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.255 2.261 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.823 5.461 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.305 4.547 -9.208 1.00 0.00 H new ATOM 473 N PHE A 31 -10.773 4.725 -5.887 1.00 0.00 N ATOM 474 CA PHE A 31 -11.209 5.617 -4.819 1.00 0.00 C ATOM 475 C PHE A 31 -10.081 6.575 -4.438 1.00 0.00 C ATOM 476 O PHE A 31 -10.240 7.793 -4.489 1.00 0.00 O ATOM 477 CB PHE A 31 -11.649 4.797 -3.596 1.00 0.00 C ATOM 478 CG PHE A 31 -11.982 5.635 -2.385 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.196 6.301 -2.297 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.077 5.758 -1.337 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.498 7.071 -1.190 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.377 6.527 -0.231 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.588 7.184 -0.158 1.00 0.00 C ATOM 0 H PHE A 31 -10.643 3.756 -5.596 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.058 6.203 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.522 4.202 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.855 4.098 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.912 6.217 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.128 5.246 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.446 7.585 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.665 6.614 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.824 7.787 0.707 1.00 0.00 H new ATOM 493 N LEU A 32 -8.935 6.007 -4.085 1.00 0.00 N ATOM 494 CA LEU A 32 -7.780 6.780 -3.629 1.00 0.00 C ATOM 495 C LEU A 32 -7.208 7.636 -4.766 1.00 0.00 C ATOM 496 O LEU A 32 -6.455 8.589 -4.535 1.00 0.00 O ATOM 497 CB LEU A 32 -6.717 5.817 -3.073 1.00 0.00 C ATOM 498 CG LEU A 32 -5.499 6.469 -2.398 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.937 7.449 -1.315 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.580 5.399 -1.807 1.00 0.00 C ATOM 0 H LEU A 32 -8.777 5.000 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.094 7.462 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.197 5.157 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.361 5.190 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.947 7.024 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.058 7.897 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.552 8.232 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.515 6.920 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.723 5.877 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.128 4.818 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.233 4.738 -2.601 1.00 0.00 H new ATOM 512 N LYS A 33 -7.591 7.302 -5.997 1.00 0.00 N ATOM 513 CA LYS A 33 -7.147 8.039 -7.178 1.00 0.00 C ATOM 514 C LYS A 33 -7.779 9.434 -7.215 1.00 0.00 C ATOM 515 O LYS A 33 -7.275 10.329 -7.891 1.00 0.00 O ATOM 516 CB LYS A 33 -7.504 7.261 -8.456 1.00 0.00 C ATOM 517 CG LYS A 33 -6.822 7.784 -9.719 1.00 0.00 C ATOM 518 CD LYS A 33 -7.286 7.039 -10.970 1.00 0.00 C ATOM 519 CE LYS A 33 -7.035 5.535 -10.878 1.00 0.00 C ATOM 520 NZ LYS A 33 -5.590 5.204 -10.733 1.00 0.00 N ATOM 0 H LYS A 33 -8.212 6.520 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.064 8.153 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.234 6.214 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.584 7.295 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.033 8.847 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.742 7.682 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.350 7.218 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.767 7.439 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.584 5.130 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.427 5.049 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.377 4.337 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.015 5.988 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.367 5.055 -9.728 1.00 0.00 H new ATOM 534 N THR A 34 -8.869 9.619 -6.462 1.00 0.00 N ATOM 535 CA THR A 34 -9.582 10.902 -6.421 1.00 0.00 C ATOM 536 C THR A 34 -8.647 12.043 -6.006 1.00 0.00 C ATOM 537 O THR A 34 -8.872 13.208 -6.350 1.00 0.00 O ATOM 538 CB THR A 34 -10.790 10.854 -5.445 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.599 12.031 -5.600 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.333 10.745 -3.990 1.00 0.00 C ATOM 0 H THR A 34 -9.278 8.895 -5.871 1.00 0.00 H new ATOM 0 HA THR A 34 -9.951 11.087 -7.430 1.00 0.00 H new ATOM 0 HB THR A 34 -11.374 9.967 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.358 11.990 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.205 10.714 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.749 9.834 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.719 11.609 -3.736 1.00 0.00 H new ATOM 548 N GLU A 35 -7.603 11.695 -5.259 1.00 0.00 N ATOM 549 CA GLU A 35 -6.613 12.664 -4.794 1.00 0.00 C ATOM 550 C GLU A 35 -5.210 12.239 -5.223 1.00 0.00 C ATOM 551 O GLU A 35 -4.213 12.851 -4.830 1.00 0.00 O ATOM 552 CB GLU A 35 -6.718 12.821 -3.269 1.00 0.00 C ATOM 553 CG GLU A 35 -6.756 11.496 -2.510 1.00 0.00 C ATOM 554 CD GLU A 35 -7.298 11.649 -1.095 1.00 0.00 C ATOM 555 OE1 GLU A 35 -8.537 11.684 -0.928 1.00 0.00 O ATOM 556 OE2 GLU A 35 -6.498 11.730 -0.140 1.00 0.00 O ATOM 0 H GLU A 35 -7.419 10.737 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.813 13.634 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.870 13.407 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.618 13.389 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.375 10.785 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.751 11.077 -2.467 1.00 0.00 H new ATOM 563 N PHE A 36 -5.155 11.199 -6.059 1.00 0.00 N ATOM 564 CA PHE A 36 -3.903 10.697 -6.629 1.00 0.00 C ATOM 565 C PHE A 36 -2.870 10.396 -5.541 1.00 0.00 C ATOM 566 O PHE A 36 -1.682 10.681 -5.701 1.00 0.00 O ATOM 567 CB PHE A 36 -3.341 11.705 -7.645 1.00 0.00 C ATOM 568 CG PHE A 36 -4.289 12.006 -8.781 1.00 0.00 C ATOM 569 CD1 PHE A 36 -4.406 11.134 -9.855 1.00 0.00 C ATOM 570 CD2 PHE A 36 -5.064 13.159 -8.774 1.00 0.00 C ATOM 571 CE1 PHE A 36 -5.275 11.404 -10.895 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.932 13.434 -9.813 1.00 0.00 C ATOM 573 CZ PHE A 36 -6.038 12.556 -10.875 1.00 0.00 C ATOM 0 H PHE A 36 -5.980 10.680 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.120 9.760 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.099 12.634 -7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.409 11.316 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.810 10.233 -9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.987 13.849 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.358 10.715 -11.723 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.528 14.335 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.716 12.770 -11.688 1.00 0.00 H new ATOM 583 N SER A 37 -3.329 9.805 -4.441 1.00 0.00 N ATOM 584 CA SER A 37 -2.449 9.453 -3.329 1.00 0.00 C ATOM 585 C SER A 37 -2.232 7.938 -3.261 1.00 0.00 C ATOM 586 O SER A 37 -1.824 7.402 -2.227 1.00 0.00 O ATOM 587 CB SER A 37 -3.043 9.975 -2.015 1.00 0.00 C ATOM 588 OG SER A 37 -3.219 11.383 -2.070 1.00 0.00 O ATOM 0 H SER A 37 -4.308 9.559 -4.295 1.00 0.00 H new ATOM 0 HA SER A 37 -1.477 9.920 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.001 9.491 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.385 9.718 -1.185 1.00 0.00 H new ATOM 0 HG SER A 37 -3.600 11.698 -1.224 1.00 0.00 H new ATOM 594 N GLU A 38 -2.477 7.255 -4.380 1.00 0.00 N ATOM 595 CA GLU A 38 -2.283 5.804 -4.462 1.00 0.00 C ATOM 596 C GLU A 38 -0.795 5.444 -4.404 1.00 0.00 C ATOM 597 O GLU A 38 -0.432 4.268 -4.316 1.00 0.00 O ATOM 598 CB GLU A 38 -2.952 5.235 -5.724 1.00 0.00 C ATOM 599 CG GLU A 38 -2.704 6.054 -6.985 1.00 0.00 C ATOM 600 CD GLU A 38 -3.379 5.469 -8.214 1.00 0.00 C ATOM 601 OE1 GLU A 38 -4.608 5.242 -8.177 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.688 5.244 -9.232 1.00 0.00 O ATOM 0 H GLU A 38 -2.811 7.683 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.763 5.347 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.591 4.220 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.026 5.168 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.065 7.071 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.631 6.120 -7.163 1.00 0.00 H new ATOM 609 N GLU A 39 0.051 6.475 -4.438 1.00 0.00 N ATOM 610 CA GLU A 39 1.492 6.336 -4.203 1.00 0.00 C ATOM 611 C GLU A 39 1.769 5.398 -3.026 1.00 0.00 C ATOM 612 O GLU A 39 2.707 4.603 -3.053 1.00 0.00 O ATOM 613 CB GLU A 39 2.093 7.718 -3.897 1.00 0.00 C ATOM 614 CG GLU A 39 1.430 8.417 -2.705 1.00 0.00 C ATOM 615 CD GLU A 39 2.054 9.758 -2.361 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.927 10.698 -3.175 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.667 9.878 -1.279 1.00 0.00 O ATOM 0 H GLU A 39 -0.243 7.433 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 39 1.947 5.914 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.159 7.607 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.998 8.351 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.372 8.563 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.488 7.765 -1.834 1.00 0.00 H new ATOM 624 N ASN A 40 0.927 5.504 -2.005 1.00 0.00 N ATOM 625 CA ASN A 40 1.086 4.750 -0.768 1.00 0.00 C ATOM 626 C ASN A 40 0.935 3.245 -1.003 1.00 0.00 C ATOM 627 O ASN A 40 1.849 2.452 -0.711 1.00 0.00 O ATOM 628 CB ASN A 40 0.053 5.233 0.262 1.00 0.00 C ATOM 629 CG ASN A 40 0.345 6.635 0.775 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.085 6.810 1.739 1.00 0.00 O ATOM 631 ND2 ASN A 40 -0.247 7.642 0.147 1.00 0.00 N ATOM 0 H ASN A 40 0.112 6.117 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 40 2.093 4.923 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.939 5.215 -0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.033 4.540 1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.094 8.600 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.856 7.458 -0.651 1.00 0.00 H new ATOM 638 N ILE A 41 -0.214 2.849 -1.539 1.00 0.00 N ATOM 639 CA ILE A 41 -0.491 1.439 -1.766 1.00 0.00 C ATOM 640 C ILE A 41 0.543 0.856 -2.731 1.00 0.00 C ATOM 641 O ILE A 41 1.057 -0.239 -2.510 1.00 0.00 O ATOM 642 CB ILE A 41 -1.940 1.203 -2.290 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.295 -0.294 -2.235 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.124 1.755 -3.704 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.680 -0.624 -2.758 1.00 0.00 C ATOM 0 H ILE A 41 -0.963 3.481 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.416 0.923 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.623 1.746 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.558 -0.852 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.217 -0.637 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.146 1.572 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.929 2.827 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.429 1.259 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.850 -1.698 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.428 -0.096 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.758 -0.315 -3.800 1.00 0.00 H new ATOM 657 N GLU A 42 0.886 1.625 -3.770 1.00 0.00 N ATOM 658 CA GLU A 42 1.891 1.206 -4.747 1.00 0.00 C ATOM 659 C GLU A 42 3.276 1.137 -4.107 1.00 0.00 C ATOM 660 O GLU A 42 4.113 0.328 -4.513 1.00 0.00 O ATOM 661 CB GLU A 42 1.919 2.156 -5.951 1.00 0.00 C ATOM 662 CG GLU A 42 0.638 2.147 -6.775 1.00 0.00 C ATOM 663 CD GLU A 42 0.717 3.067 -7.985 1.00 0.00 C ATOM 664 OE1 GLU A 42 0.806 4.298 -7.800 1.00 0.00 O ATOM 665 OE2 GLU A 42 0.724 2.559 -9.129 1.00 0.00 O ATOM 0 H GLU A 42 0.480 2.542 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 42 1.616 0.211 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.104 3.170 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.756 1.886 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.432 1.130 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.198 2.452 -6.145 1.00 0.00 H new ATOM 672 N PHE A 43 3.505 1.983 -3.103 1.00 0.00 N ATOM 673 CA PHE A 43 4.778 2.014 -2.388 1.00 0.00 C ATOM 674 C PHE A 43 5.126 0.629 -1.854 1.00 0.00 C ATOM 675 O PHE A 43 6.153 0.047 -2.228 1.00 0.00 O ATOM 676 CB PHE A 43 4.727 3.029 -1.233 1.00 0.00 C ATOM 677 CG PHE A 43 5.948 3.015 -0.344 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.097 3.696 -0.709 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.944 2.316 0.856 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.216 3.682 0.101 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.059 2.298 1.668 1.00 0.00 C ATOM 682 CZ PHE A 43 8.196 2.982 1.290 1.00 0.00 C ATOM 0 H PHE A 43 2.820 2.659 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 43 5.553 2.323 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.605 4.029 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.846 2.826 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.119 4.245 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.056 1.780 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.105 4.218 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.042 1.749 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.070 2.970 1.924 1.00 0.00 H new ATOM 692 N TRP A 44 4.274 0.082 -0.989 1.00 0.00 N ATOM 693 CA TRP A 44 4.573 -1.232 -0.422 1.00 0.00 C ATOM 694 C TRP A 44 4.221 -2.357 -1.393 1.00 0.00 C ATOM 695 O TRP A 44 4.658 -3.492 -1.210 1.00 0.00 O ATOM 696 CB TRP A 44 3.941 -1.444 0.963 1.00 0.00 C ATOM 697 CG TRP A 44 2.461 -1.228 1.048 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.832 -0.170 1.635 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.426 -2.096 0.570 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.475 -0.326 1.555 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.199 -1.494 0.895 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.418 -3.319 -0.109 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.019 -2.074 0.569 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.206 -3.894 -0.432 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.000 -3.269 -0.096 1.00 0.00 C ATOM 0 H TRP A 44 3.403 0.508 -0.674 1.00 0.00 H new ATOM 0 HA TRP A 44 5.651 -1.263 -0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.159 -2.461 1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.428 -0.772 1.670 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.332 0.669 2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.219 0.323 1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.345 -3.805 -0.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.952 -1.597 0.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.188 -4.840 -0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.934 -3.739 -0.367 1.00 0.00 H new ATOM 716 N ILE A 45 3.449 -2.043 -2.434 1.00 0.00 N ATOM 717 CA ILE A 45 3.258 -2.979 -3.547 1.00 0.00 C ATOM 718 C ILE A 45 4.603 -3.225 -4.232 1.00 0.00 C ATOM 719 O ILE A 45 4.925 -4.351 -4.622 1.00 0.00 O ATOM 720 CB ILE A 45 2.207 -2.461 -4.574 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.780 -2.722 -4.058 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.404 -3.090 -5.955 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.310 -2.195 -4.973 1.00 0.00 C ATOM 0 H ILE A 45 2.950 -1.159 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 45 2.871 -3.915 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 45 2.352 -1.386 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.643 -3.795 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.670 -2.263 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.651 -2.703 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.398 -2.843 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.303 -4.173 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.286 -2.417 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.200 -1.116 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.228 -2.672 -5.949 1.00 0.00 H new ATOM 735 N ALA A 46 5.398 -2.162 -4.348 1.00 0.00 N ATOM 736 CA ALA A 46 6.756 -2.273 -4.866 1.00 0.00 C ATOM 737 C ALA A 46 7.612 -3.090 -3.905 1.00 0.00 C ATOM 738 O ALA A 46 8.471 -3.869 -4.324 1.00 0.00 O ATOM 739 CB ALA A 46 7.359 -0.890 -5.088 1.00 0.00 C ATOM 0 H ALA A 46 5.122 -1.215 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 46 6.727 -2.785 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.373 -0.993 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.751 -0.339 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.385 -0.348 -4.143 1.00 0.00 H new ATOM 745 N CYS A 47 7.358 -2.918 -2.610 1.00 0.00 N ATOM 746 CA CYS A 47 8.051 -3.691 -1.582 1.00 0.00 C ATOM 747 C CYS A 47 7.765 -5.188 -1.744 1.00 0.00 C ATOM 748 O CYS A 47 8.611 -6.025 -1.427 1.00 0.00 O ATOM 749 CB CYS A 47 7.640 -3.214 -0.186 1.00 0.00 C ATOM 750 SG CYS A 47 7.945 -1.455 0.108 1.00 0.00 S ATOM 0 H CYS A 47 6.677 -2.250 -2.247 1.00 0.00 H new ATOM 0 HA CYS A 47 9.123 -3.534 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.579 -3.418 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.181 -3.796 0.560 1.00 0.00 H new ATOM 0 HG CYS A 47 7.427 -0.757 -0.859 1.00 0.00 H new ATOM 756 N GLU A 48 6.573 -5.520 -2.247 1.00 0.00 N ATOM 757 CA GLU A 48 6.214 -6.914 -2.521 1.00 0.00 C ATOM 758 C GLU A 48 6.953 -7.407 -3.768 1.00 0.00 C ATOM 759 O GLU A 48 7.404 -8.555 -3.827 1.00 0.00 O ATOM 760 CB GLU A 48 4.696 -7.067 -2.703 1.00 0.00 C ATOM 761 CG GLU A 48 3.870 -6.528 -1.539 1.00 0.00 C ATOM 762 CD GLU A 48 4.141 -7.256 -0.231 1.00 0.00 C ATOM 763 OE1 GLU A 48 5.046 -6.837 0.516 1.00 0.00 O ATOM 764 OE2 GLU A 48 3.441 -8.248 0.064 1.00 0.00 O ATOM 0 H GLU A 48 5.842 -4.845 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 48 6.512 -7.521 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.397 -6.552 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.462 -8.123 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.084 -5.467 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.811 -6.612 -1.783 1.00 0.00 H new ATOM 771 N ASP A 49 7.080 -6.520 -4.758 1.00 0.00 N ATOM 772 CA ASP A 49 7.864 -6.798 -5.969 1.00 0.00 C ATOM 773 C ASP A 49 9.307 -7.136 -5.589 1.00 0.00 C ATOM 774 O ASP A 49 9.956 -7.987 -6.212 1.00 0.00 O ATOM 775 CB ASP A 49 7.826 -5.581 -6.911 1.00 0.00 C ATOM 776 CG ASP A 49 8.738 -5.724 -8.123 1.00 0.00 C ATOM 777 OD1 ASP A 49 8.446 -6.565 -9.001 1.00 0.00 O ATOM 778 OD2 ASP A 49 9.738 -4.984 -8.218 1.00 0.00 O ATOM 0 H ASP A 49 6.648 -5.596 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 49 7.430 -7.653 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.802 -5.427 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.113 -4.690 -6.353 1.00 0.00 H new ATOM 783 N PHE A 50 9.785 -6.457 -4.554 1.00 0.00 N ATOM 784 CA PHE A 50 11.093 -6.716 -3.962 1.00 0.00 C ATOM 785 C PHE A 50 11.073 -8.033 -3.177 1.00 0.00 C ATOM 786 O PHE A 50 11.967 -8.865 -3.317 1.00 0.00 O ATOM 787 CB PHE A 50 11.466 -5.536 -3.049 1.00 0.00 C ATOM 788 CG PHE A 50 12.631 -5.782 -2.124 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.932 -5.781 -2.601 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.420 -5.999 -0.770 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.996 -5.993 -1.749 1.00 0.00 C ATOM 792 CE2 PHE A 50 13.481 -6.210 0.084 1.00 0.00 C ATOM 793 CZ PHE A 50 14.772 -6.207 -0.405 1.00 0.00 C ATOM 0 H PHE A 50 9.271 -5.704 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 50 11.842 -6.812 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.695 -4.673 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.595 -5.273 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.115 -5.612 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.413 -6.003 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.005 -5.991 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.302 -6.378 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.604 -6.372 0.263 1.00 0.00 H new ATOM 803 N LYS A 51 10.019 -8.215 -2.384 1.00 0.00 N ATOM 804 CA LYS A 51 9.864 -9.379 -1.505 1.00 0.00 C ATOM 805 C LYS A 51 9.979 -10.704 -2.262 1.00 0.00 C ATOM 806 O LYS A 51 10.550 -11.671 -1.753 1.00 0.00 O ATOM 807 CB LYS A 51 8.513 -9.275 -0.761 1.00 0.00 C ATOM 808 CG LYS A 51 7.968 -10.587 -0.174 1.00 0.00 C ATOM 809 CD LYS A 51 7.015 -11.294 -1.142 1.00 0.00 C ATOM 810 CE LYS A 51 6.358 -12.523 -0.518 1.00 0.00 C ATOM 811 NZ LYS A 51 7.337 -13.606 -0.227 1.00 0.00 N ATOM 0 H LYS A 51 9.242 -7.556 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 51 10.681 -9.373 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.621 -8.554 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.771 -8.872 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.799 -11.250 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.447 -10.378 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.242 -10.595 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.564 -11.593 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.856 -12.233 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.591 -12.903 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.842 -14.417 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.798 -13.903 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.056 -13.255 0.438 1.00 0.00 H new ATOM 825 N LYS A 52 9.434 -10.747 -3.472 1.00 0.00 N ATOM 826 CA LYS A 52 9.412 -11.983 -4.257 1.00 0.00 C ATOM 827 C LYS A 52 10.808 -12.314 -4.788 1.00 0.00 C ATOM 828 O LYS A 52 11.105 -13.463 -5.123 1.00 0.00 O ATOM 829 CB LYS A 52 8.421 -11.866 -5.427 1.00 0.00 C ATOM 830 CG LYS A 52 8.941 -11.032 -6.595 1.00 0.00 C ATOM 831 CD LYS A 52 7.923 -10.931 -7.726 1.00 0.00 C ATOM 832 CE LYS A 52 8.552 -10.365 -8.994 1.00 0.00 C ATOM 833 NZ LYS A 52 9.214 -9.055 -8.754 1.00 0.00 N ATOM 0 H LYS A 52 9.002 -9.946 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 52 9.087 -12.790 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.178 -12.866 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.493 -11.425 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.191 -10.031 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.861 -11.475 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.509 -11.918 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.094 -10.296 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.283 -11.074 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.784 -10.248 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.718 -8.313 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.183 -8.831 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.204 -9.104 -9.068 1.00 0.00 H new ATOM 847 N SER A 53 11.660 -11.297 -4.855 1.00 0.00 N ATOM 848 CA SER A 53 13.004 -11.451 -5.391 1.00 0.00 C ATOM 849 C SER A 53 13.933 -12.030 -4.326 1.00 0.00 C ATOM 850 O SER A 53 14.736 -11.317 -3.729 1.00 0.00 O ATOM 851 CB SER A 53 13.519 -10.096 -5.894 1.00 0.00 C ATOM 852 OG SER A 53 12.615 -9.529 -6.835 1.00 0.00 O ATOM 0 H SER A 53 11.440 -10.352 -4.542 1.00 0.00 H new ATOM 0 HA SER A 53 12.981 -12.145 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.648 -9.416 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.499 -10.223 -6.355 1.00 0.00 H new ATOM 0 HG SER A 53 11.876 -9.095 -6.359 1.00 0.00 H new ATOM 858 N LYS A 54 13.797 -13.333 -4.085 1.00 0.00 N ATOM 859 CA LYS A 54 14.554 -14.017 -3.036 1.00 0.00 C ATOM 860 C LYS A 54 16.027 -14.192 -3.415 1.00 0.00 C ATOM 861 O LYS A 54 16.831 -14.665 -2.606 1.00 0.00 O ATOM 862 CB LYS A 54 13.895 -15.375 -2.708 1.00 0.00 C ATOM 863 CG LYS A 54 13.612 -16.272 -3.920 1.00 0.00 C ATOM 864 CD LYS A 54 14.871 -16.950 -4.459 1.00 0.00 C ATOM 865 CE LYS A 54 14.563 -17.866 -5.637 1.00 0.00 C ATOM 866 NZ LYS A 54 15.779 -18.568 -6.127 1.00 0.00 N ATOM 0 H LYS A 54 13.165 -13.941 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 54 14.532 -13.392 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.541 -15.917 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.956 -15.189 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.885 -17.035 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.159 -15.674 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.589 -16.190 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.341 -17.528 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.815 -18.601 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.130 -17.281 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.527 -19.181 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.484 -17.868 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.178 -19.147 -5.361 1.00 0.00 H new ATOM 880 N GLY A 55 16.372 -13.828 -4.646 1.00 0.00 N ATOM 881 CA GLY A 55 17.750 -13.911 -5.095 1.00 0.00 C ATOM 882 C GLY A 55 18.621 -12.824 -4.485 1.00 0.00 C ATOM 883 O GLY A 55 18.292 -11.641 -4.601 1.00 0.00 O ATOM 0 H GLY A 55 15.718 -13.475 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.157 -14.888 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.781 -13.832 -6.182 1.00 0.00 H new ATOM 887 N PRO A 56 19.747 -13.195 -3.836 1.00 0.00 N ATOM 888 CA PRO A 56 20.634 -12.237 -3.156 1.00 0.00 C ATOM 889 C PRO A 56 20.973 -11.023 -4.023 1.00 0.00 C ATOM 890 O PRO A 56 20.893 -9.881 -3.571 1.00 0.00 O ATOM 891 CB PRO A 56 21.891 -13.068 -2.868 1.00 0.00 C ATOM 892 CG PRO A 56 21.388 -14.466 -2.737 1.00 0.00 C ATOM 893 CD PRO A 56 20.242 -14.584 -3.710 1.00 0.00 C ATOM 0 HA PRO A 56 20.170 -11.814 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.618 -12.981 -3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.386 -12.737 -1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.172 -15.187 -2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.058 -14.669 -1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 56 20.571 -14.981 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 56 19.467 -15.253 -3.337 1.00 0.00 H new ATOM 901 N GLN A 57 21.334 -11.280 -5.277 1.00 0.00 N ATOM 902 CA GLN A 57 21.698 -10.211 -6.207 1.00 0.00 C ATOM 903 C GLN A 57 20.508 -9.286 -6.456 1.00 0.00 C ATOM 904 O GLN A 57 20.650 -8.061 -6.471 1.00 0.00 O ATOM 905 CB GLN A 57 22.191 -10.799 -7.535 1.00 0.00 C ATOM 906 CG GLN A 57 23.397 -11.720 -7.392 1.00 0.00 C ATOM 907 CD GLN A 57 23.872 -12.271 -8.726 1.00 0.00 C ATOM 908 OE1 GLN A 57 23.412 -13.321 -9.174 1.00 0.00 O ATOM 909 NE2 GLN A 57 24.788 -11.569 -9.370 1.00 0.00 N ATOM 0 H GLN A 57 21.383 -12.218 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 57 22.504 -9.631 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.376 -11.353 -8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 57 22.448 -9.982 -8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 57 24.212 -11.174 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 57 23.141 -12.548 -6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 57 25.145 -10.703 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.138 -11.893 -10.272 1.00 0.00 H new ATOM 918 N GLN A 58 19.333 -9.887 -6.623 1.00 0.00 N ATOM 919 CA GLN A 58 18.115 -9.139 -6.922 1.00 0.00 C ATOM 920 C GLN A 58 17.755 -8.217 -5.764 1.00 0.00 C ATOM 921 O GLN A 58 17.280 -7.103 -5.976 1.00 0.00 O ATOM 922 CB GLN A 58 16.950 -10.096 -7.209 1.00 0.00 C ATOM 923 CG GLN A 58 17.198 -11.040 -8.378 1.00 0.00 C ATOM 924 CD GLN A 58 17.498 -10.310 -9.677 1.00 0.00 C ATOM 925 OE1 GLN A 58 18.656 -10.039 -10.000 1.00 0.00 O ATOM 926 NE2 GLN A 58 16.457 -9.986 -10.428 1.00 0.00 N ATOM 0 H GLN A 58 19.198 -10.896 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 58 18.299 -8.534 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.749 -10.686 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.054 -9.510 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 58 18.033 -11.698 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.323 -11.674 -8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.514 -10.229 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.598 -9.494 -11.310 1.00 0.00 H new ATOM 935 N ILE A 59 17.995 -8.693 -4.545 1.00 0.00 N ATOM 936 CA ILE A 59 17.722 -7.922 -3.334 1.00 0.00 C ATOM 937 C ILE A 59 18.364 -6.534 -3.402 1.00 0.00 C ATOM 938 O ILE A 59 17.681 -5.516 -3.288 1.00 0.00 O ATOM 939 CB ILE A 59 18.232 -8.668 -2.071 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.410 -9.945 -1.824 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.194 -7.757 -0.844 1.00 0.00 C ATOM 942 CD1 ILE A 59 15.950 -9.683 -1.511 1.00 0.00 C ATOM 0 H ILE A 59 18.382 -9.620 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 59 16.641 -7.805 -3.265 1.00 0.00 H new ATOM 0 HB ILE A 59 19.269 -8.956 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.474 -10.583 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.855 -10.498 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.556 -8.304 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.829 -6.888 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.170 -7.429 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.437 -10.631 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.875 -9.072 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.487 -9.158 -2.347 1.00 0.00 H new ATOM 954 N HIS A 60 19.676 -6.504 -3.620 1.00 0.00 N ATOM 955 CA HIS A 60 20.427 -5.246 -3.615 1.00 0.00 C ATOM 956 C HIS A 60 19.948 -4.318 -4.735 1.00 0.00 C ATOM 957 O HIS A 60 19.842 -3.104 -4.547 1.00 0.00 O ATOM 958 CB HIS A 60 21.935 -5.512 -3.754 1.00 0.00 C ATOM 959 CG HIS A 60 22.521 -6.299 -2.615 1.00 0.00 C ATOM 960 ND1 HIS A 60 22.459 -7.622 -2.327 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.284 -5.732 -1.615 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 23.173 -7.824 -1.174 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.660 -6.671 -0.766 1.00 0.00 N flip ATOM 0 H HIS A 60 20.242 -7.333 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 60 20.247 -4.753 -2.660 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.115 -6.049 -4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.457 -4.558 -3.830 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.971 -8.336 -2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.535 -4.684 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.313 -8.775 -0.681 1.00 0.00 H new ATOM 972 N LEU A 61 19.646 -4.903 -5.893 1.00 0.00 N ATOM 973 CA LEU A 61 19.215 -4.134 -7.063 1.00 0.00 C ATOM 974 C LEU A 61 17.824 -3.533 -6.843 1.00 0.00 C ATOM 975 O LEU A 61 17.635 -2.319 -6.954 1.00 0.00 O ATOM 976 CB LEU A 61 19.217 -5.026 -8.315 1.00 0.00 C ATOM 977 CG LEU A 61 20.576 -5.648 -8.678 1.00 0.00 C ATOM 978 CD1 LEU A 61 20.452 -6.539 -9.912 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.631 -4.561 -8.898 1.00 0.00 C ATOM 0 H LEU A 61 19.692 -5.910 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 61 19.919 -3.315 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.496 -5.830 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.869 -4.435 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 61 20.898 -6.269 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.425 -6.968 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.741 -7.341 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.101 -5.945 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 61 22.584 -5.025 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.316 -3.907 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.746 -3.975 -7.986 1.00 0.00 H new ATOM 991 N LYS A 62 16.862 -4.392 -6.517 1.00 0.00 N ATOM 992 CA LYS A 62 15.476 -3.975 -6.313 1.00 0.00 C ATOM 993 C LYS A 62 15.373 -2.950 -5.187 1.00 0.00 C ATOM 994 O LYS A 62 14.619 -1.978 -5.284 1.00 0.00 O ATOM 995 CB LYS A 62 14.592 -5.195 -6.000 1.00 0.00 C ATOM 996 CG LYS A 62 14.403 -6.171 -7.168 1.00 0.00 C ATOM 997 CD LYS A 62 13.174 -5.843 -8.022 1.00 0.00 C ATOM 998 CE LYS A 62 13.289 -4.505 -8.746 1.00 0.00 C ATOM 999 NZ LYS A 62 12.068 -4.195 -9.534 1.00 0.00 N ATOM 0 H LYS A 62 17.019 -5.391 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 62 15.124 -3.508 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.028 -5.736 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.612 -4.843 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.293 -6.154 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.309 -7.184 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.027 -6.635 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.289 -5.830 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.463 -3.712 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.154 -4.524 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.072 -3.189 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.052 -4.780 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.224 -4.398 -8.961 1.00 0.00 H new ATOM 1013 N ALA A 63 16.143 -3.171 -4.124 1.00 0.00 N ATOM 1014 CA ALA A 63 16.165 -2.259 -2.985 1.00 0.00 C ATOM 1015 C ALA A 63 16.564 -0.853 -3.425 1.00 0.00 C ATOM 1016 O ALA A 63 15.914 0.128 -3.059 1.00 0.00 O ATOM 1017 CB ALA A 63 17.118 -2.772 -1.909 1.00 0.00 C ATOM 0 H ALA A 63 16.761 -3.977 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 63 15.160 -2.213 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.122 -2.080 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.789 -3.754 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.124 -2.849 -2.321 1.00 0.00 H new ATOM 1023 N LYS A 64 17.626 -0.765 -4.228 1.00 0.00 N ATOM 1024 CA LYS A 64 18.120 0.522 -4.717 1.00 0.00 C ATOM 1025 C LYS A 64 17.098 1.177 -5.653 1.00 0.00 C ATOM 1026 O LYS A 64 16.987 2.407 -5.708 1.00 0.00 O ATOM 1027 CB LYS A 64 19.472 0.348 -5.432 1.00 0.00 C ATOM 1028 CG LYS A 64 20.068 1.658 -5.956 1.00 0.00 C ATOM 1029 CD LYS A 64 20.325 2.670 -4.835 1.00 0.00 C ATOM 1030 CE LYS A 64 21.481 2.254 -3.932 1.00 0.00 C ATOM 1031 NZ LYS A 64 22.785 2.271 -4.649 1.00 0.00 N ATOM 0 H LYS A 64 18.160 -1.571 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 64 18.266 1.177 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.180 -0.112 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.345 -0.342 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.004 1.447 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.390 2.095 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.541 3.645 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.421 2.782 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.530 2.925 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.295 1.253 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.561 2.200 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.830 1.466 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.876 3.159 -5.183 1.00 0.00 H new ATOM 1045 N ALA A 65 16.352 0.351 -6.384 1.00 0.00 N ATOM 1046 CA ALA A 65 15.305 0.844 -7.277 1.00 0.00 C ATOM 1047 C ALA A 65 14.230 1.578 -6.477 1.00 0.00 C ATOM 1048 O ALA A 65 13.984 2.773 -6.688 1.00 0.00 O ATOM 1049 CB ALA A 65 14.698 -0.309 -8.072 1.00 0.00 C ATOM 0 H ALA A 65 16.453 -0.664 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 65 15.747 1.548 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.920 0.074 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.475 -0.789 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.265 -1.036 -7.385 1.00 0.00 H new ATOM 1055 N ILE A 66 13.618 0.858 -5.538 1.00 0.00 N ATOM 1056 CA ILE A 66 12.592 1.422 -4.662 1.00 0.00 C ATOM 1057 C ILE A 66 13.162 2.590 -3.861 1.00 0.00 C ATOM 1058 O ILE A 66 12.474 3.579 -3.592 1.00 0.00 O ATOM 1059 CB ILE A 66 12.046 0.351 -3.681 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.498 -0.859 -4.456 1.00 0.00 C ATOM 1061 CG2 ILE A 66 10.969 0.942 -2.769 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.022 -1.987 -3.565 1.00 0.00 C ATOM 0 H ILE A 66 13.818 -0.127 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 66 11.775 1.773 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 66 12.870 0.014 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.671 -0.532 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.275 -1.236 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.603 0.171 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.393 1.763 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.143 1.314 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.649 -2.805 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.851 -2.342 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.222 -1.627 -2.918 1.00 0.00 H new ATOM 1074 N TYR A 67 14.433 2.464 -3.496 1.00 0.00 N ATOM 1075 CA TYR A 67 15.131 3.481 -2.723 1.00 0.00 C ATOM 1076 C TYR A 67 15.033 4.846 -3.402 1.00 0.00 C ATOM 1077 O TYR A 67 14.416 5.771 -2.871 1.00 0.00 O ATOM 1078 CB TYR A 67 16.601 3.073 -2.544 1.00 0.00 C ATOM 1079 CG TYR A 67 17.414 3.998 -1.655 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.322 3.921 -0.270 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.289 4.935 -2.200 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.072 4.747 0.542 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.041 5.767 -1.392 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.930 5.669 -0.022 1.00 0.00 C ATOM 1085 OH TYR A 67 19.685 6.488 0.786 1.00 0.00 O ATOM 0 H TYR A 67 15.007 1.654 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 67 14.660 3.562 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.636 2.067 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.073 3.027 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.652 3.202 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.381 5.013 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.988 4.672 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.712 6.490 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 67 20.236 7.078 0.230 1.00 0.00 H new ATOM 1095 N GLU A 68 15.601 4.948 -4.599 1.00 0.00 N ATOM 1096 CA GLU A 68 15.716 6.231 -5.288 1.00 0.00 C ATOM 1097 C GLU A 68 14.407 6.643 -5.964 1.00 0.00 C ATOM 1098 O GLU A 68 14.286 7.768 -6.449 1.00 0.00 O ATOM 1099 CB GLU A 68 16.851 6.180 -6.317 1.00 0.00 C ATOM 1100 CG GLU A 68 18.208 5.840 -5.712 1.00 0.00 C ATOM 1101 CD GLU A 68 19.344 5.961 -6.713 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.628 4.977 -7.428 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.960 7.045 -6.790 1.00 0.00 O ATOM 0 H GLU A 68 15.990 4.158 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 68 15.944 6.985 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.606 5.440 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.918 7.145 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.401 6.502 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.182 4.823 -5.320 1.00 0.00 H new ATOM 1110 N LYS A 69 13.433 5.736 -6.015 1.00 0.00 N ATOM 1111 CA LYS A 69 12.147 6.040 -6.648 1.00 0.00 C ATOM 1112 C LYS A 69 11.090 6.439 -5.615 1.00 0.00 C ATOM 1113 O LYS A 69 10.229 7.279 -5.893 1.00 0.00 O ATOM 1114 CB LYS A 69 11.657 4.838 -7.473 1.00 0.00 C ATOM 1115 CG LYS A 69 10.331 5.075 -8.198 1.00 0.00 C ATOM 1116 CD LYS A 69 10.403 6.258 -9.166 1.00 0.00 C ATOM 1117 CE LYS A 69 9.076 6.478 -9.888 1.00 0.00 C ATOM 1118 NZ LYS A 69 9.136 7.631 -10.825 1.00 0.00 N ATOM 0 H LYS A 69 13.506 4.794 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 69 12.300 6.890 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.420 4.581 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.549 3.978 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.054 4.175 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.545 5.256 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.673 7.161 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.191 6.082 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.809 5.576 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.288 6.648 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.461 7.482 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.891 8.505 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.098 7.714 -11.212 1.00 0.00 H new ATOM 1132 N PHE A 70 11.161 5.852 -4.421 1.00 0.00 N ATOM 1133 CA PHE A 70 10.119 6.051 -3.410 1.00 0.00 C ATOM 1134 C PHE A 70 10.694 6.488 -2.059 1.00 0.00 C ATOM 1135 O PHE A 70 10.156 7.392 -1.417 1.00 0.00 O ATOM 1136 CB PHE A 70 9.300 4.763 -3.230 1.00 0.00 C ATOM 1137 CG PHE A 70 8.582 4.305 -4.479 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.533 5.048 -5.005 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.949 3.130 -5.121 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.868 4.629 -6.143 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.288 2.709 -6.260 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.247 3.458 -6.772 1.00 0.00 C ATOM 0 H PHE A 70 11.922 5.239 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 70 9.474 6.853 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.965 3.967 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.566 4.920 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.233 5.965 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.761 2.537 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.053 5.216 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.586 1.794 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.730 3.130 -7.662 1.00 0.00 H new ATOM 1152 N ILE A 71 11.782 5.846 -1.627 1.00 0.00 N ATOM 1153 CA ILE A 71 12.334 6.092 -0.292 1.00 0.00 C ATOM 1154 C ILE A 71 12.914 7.504 -0.185 1.00 0.00 C ATOM 1155 O ILE A 71 12.748 8.184 0.836 1.00 0.00 O ATOM 1156 CB ILE A 71 13.426 5.051 0.075 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.844 3.626 0.037 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.034 5.350 1.448 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.697 3.401 1.000 1.00 0.00 C ATOM 0 H ILE A 71 12.295 5.157 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 71 11.510 5.993 0.414 1.00 0.00 H new ATOM 0 HB ILE A 71 14.223 5.121 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.502 3.412 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.638 2.914 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.796 4.605 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.487 6.341 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.252 5.317 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.344 2.374 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.037 3.581 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.883 4.086 0.763 1.00 0.00 H new ATOM 1171 N GLN A 72 13.592 7.940 -1.244 1.00 0.00 N ATOM 1172 CA GLN A 72 14.163 9.280 -1.293 1.00 0.00 C ATOM 1173 C GLN A 72 13.070 10.331 -1.167 1.00 0.00 C ATOM 1174 O GLN A 72 11.971 10.174 -1.700 1.00 0.00 O ATOM 1175 CB GLN A 72 14.948 9.487 -2.594 1.00 0.00 C ATOM 1176 CG GLN A 72 16.212 8.648 -2.679 1.00 0.00 C ATOM 1177 CD GLN A 72 17.297 9.114 -1.727 1.00 0.00 C ATOM 1178 OE1 GLN A 72 17.351 8.697 -0.570 1.00 0.00 O ATOM 1179 NE2 GLN A 72 18.182 9.966 -2.217 1.00 0.00 N ATOM 0 H GLN A 72 13.759 7.382 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 72 14.849 9.388 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.304 9.246 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.214 10.540 -2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.967 7.608 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.594 8.678 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.101 10.287 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.946 10.302 -1.630 1.00 0.00 H new ATOM 1188 N THR A 73 13.378 11.393 -0.446 1.00 0.00 N ATOM 1189 CA THR A 73 12.442 12.477 -0.222 1.00 0.00 C ATOM 1190 C THR A 73 12.158 13.219 -1.528 1.00 0.00 C ATOM 1191 O THR A 73 11.008 13.363 -1.942 1.00 0.00 O ATOM 1192 CB THR A 73 13.022 13.447 0.820 1.00 0.00 C ATOM 1193 OG1 THR A 73 13.257 12.744 2.053 1.00 0.00 O ATOM 1194 CG2 THR A 73 12.093 14.633 1.065 1.00 0.00 C ATOM 0 H THR A 73 14.285 11.528 0.001 1.00 0.00 H new ATOM 0 HA THR A 73 11.504 12.064 0.149 1.00 0.00 H new ATOM 0 HB THR A 73 13.962 13.839 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.628 13.362 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.537 15.296 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.946 15.179 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.131 14.273 1.430 1.00 0.00 H new ATOM 1202 N ASP A 74 13.224 13.652 -2.190 1.00 0.00 N ATOM 1203 CA ASP A 74 13.116 14.388 -3.450 1.00 0.00 C ATOM 1204 C ASP A 74 13.101 13.423 -4.639 1.00 0.00 C ATOM 1205 O ASP A 74 13.494 13.782 -5.753 1.00 0.00 O ATOM 1206 CB ASP A 74 14.277 15.388 -3.577 1.00 0.00 C ATOM 1207 CG ASP A 74 15.641 14.719 -3.543 1.00 0.00 C ATOM 1208 OD1 ASP A 74 16.028 14.202 -2.474 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.337 14.705 -4.580 1.00 0.00 O ATOM 0 H ASP A 74 14.183 13.506 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 74 12.177 14.941 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.173 15.941 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.214 16.115 -2.767 1.00 0.00 H new ATOM 1214 N ALA A 75 12.616 12.208 -4.394 1.00 0.00 N ATOM 1215 CA ALA A 75 12.500 11.182 -5.428 1.00 0.00 C ATOM 1216 C ALA A 75 11.545 11.628 -6.539 1.00 0.00 C ATOM 1217 O ALA A 75 10.725 12.525 -6.329 1.00 0.00 O ATOM 1218 CB ALA A 75 12.009 9.878 -4.808 1.00 0.00 C ATOM 0 H ALA A 75 12.293 11.907 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 75 13.484 11.025 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.924 9.116 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.718 9.546 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.034 10.038 -4.348 1.00 0.00 H new ATOM 1224 N PRO A 76 11.636 11.011 -7.736 1.00 0.00 N ATOM 1225 CA PRO A 76 10.723 11.292 -8.859 1.00 0.00 C ATOM 1226 C PRO A 76 9.312 10.725 -8.626 1.00 0.00 C ATOM 1227 O PRO A 76 8.736 10.079 -9.508 1.00 0.00 O ATOM 1228 CB PRO A 76 11.401 10.600 -10.063 1.00 0.00 C ATOM 1229 CG PRO A 76 12.774 10.235 -9.595 1.00 0.00 C ATOM 1230 CD PRO A 76 12.658 10.022 -8.115 1.00 0.00 C ATOM 0 HA PRO A 76 10.573 12.362 -9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.844 9.715 -10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.445 11.266 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.130 9.333 -10.093 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.488 11.027 -9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.349 9.005 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.604 10.198 -7.603 1.00 0.00 H new ATOM 1238 N LYS A 77 8.771 10.989 -7.438 1.00 0.00 N ATOM 1239 CA LYS A 77 7.427 10.570 -7.051 1.00 0.00 C ATOM 1240 C LYS A 77 7.160 11.080 -5.635 1.00 0.00 C ATOM 1241 O LYS A 77 6.223 11.846 -5.407 1.00 0.00 O ATOM 1242 CB LYS A 77 7.277 9.029 -7.106 1.00 0.00 C ATOM 1243 CG LYS A 77 5.834 8.500 -7.248 1.00 0.00 C ATOM 1244 CD LYS A 77 4.901 8.932 -6.103 1.00 0.00 C ATOM 1245 CE LYS A 77 4.074 10.173 -6.459 1.00 0.00 C ATOM 1246 NZ LYS A 77 3.579 10.889 -5.247 1.00 0.00 N ATOM 0 H LYS A 77 9.261 11.507 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 77 6.702 10.988 -7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.865 8.655 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.711 8.608 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.420 8.849 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.858 7.411 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.229 8.110 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.495 9.138 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.681 10.852 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.225 9.877 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.220 11.826 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.813 10.339 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.358 11.001 -4.568 1.00 0.00 H new ATOM 1260 N GLU A 78 8.013 10.648 -4.701 1.00 0.00 N ATOM 1261 CA GLU A 78 7.885 10.986 -3.279 1.00 0.00 C ATOM 1262 C GLU A 78 6.673 10.285 -2.662 1.00 0.00 C ATOM 1263 O GLU A 78 5.554 10.389 -3.172 1.00 0.00 O ATOM 1264 CB GLU A 78 7.783 12.508 -3.062 1.00 0.00 C ATOM 1265 CG GLU A 78 7.709 12.914 -1.592 1.00 0.00 C ATOM 1266 CD GLU A 78 7.485 14.407 -1.394 1.00 0.00 C ATOM 1267 OE1 GLU A 78 8.443 15.188 -1.564 1.00 0.00 O ATOM 1268 OE2 GLU A 78 6.356 14.805 -1.037 1.00 0.00 O ATOM 0 H GLU A 78 8.814 10.052 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 78 8.789 10.635 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.647 12.990 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.898 12.881 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.900 12.365 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.634 12.622 -1.094 1.00 0.00 H new ATOM 1275 N VAL A 79 6.908 9.562 -1.569 1.00 0.00 N ATOM 1276 CA VAL A 79 5.838 8.886 -0.837 1.00 0.00 C ATOM 1277 C VAL A 79 5.796 9.387 0.603 1.00 0.00 C ATOM 1278 O VAL A 79 6.843 9.573 1.235 1.00 0.00 O ATOM 1279 CB VAL A 79 6.023 7.346 -0.834 1.00 0.00 C ATOM 1280 CG1 VAL A 79 4.869 6.657 -0.102 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.157 6.815 -2.260 1.00 0.00 C ATOM 0 H VAL A 79 7.836 9.429 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 79 4.901 9.116 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 79 6.944 7.117 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.023 5.578 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.832 7.007 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.929 6.895 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.286 5.733 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.258 7.060 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.023 7.272 -2.739 1.00 0.00 H new ATOM 1291 N ASN A 80 4.592 9.610 1.115 1.00 0.00 N ATOM 1292 CA ASN A 80 4.412 10.082 2.485 1.00 0.00 C ATOM 1293 C ASN A 80 4.655 8.956 3.491 1.00 0.00 C ATOM 1294 O ASN A 80 3.734 8.252 3.903 1.00 0.00 O ATOM 1295 CB ASN A 80 3.017 10.697 2.667 1.00 0.00 C ATOM 1296 CG ASN A 80 2.895 12.047 1.977 1.00 0.00 C ATOM 1297 OD1 ASN A 80 3.148 13.091 2.585 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.534 12.038 0.702 1.00 0.00 N ATOM 0 H ASN A 80 3.722 9.471 0.601 1.00 0.00 H new ATOM 0 HA ASN A 80 5.151 10.860 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.266 10.016 2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.808 10.813 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.457 12.915 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.333 11.154 0.235 1.00 0.00 H new ATOM 1305 N LEU A 81 5.922 8.785 3.850 1.00 0.00 N ATOM 1306 CA LEU A 81 6.353 7.786 4.824 1.00 0.00 C ATOM 1307 C LEU A 81 7.162 8.456 5.937 1.00 0.00 C ATOM 1308 O LEU A 81 7.782 9.502 5.720 1.00 0.00 O ATOM 1309 CB LEU A 81 7.183 6.697 4.113 1.00 0.00 C ATOM 1310 CG LEU A 81 8.054 5.798 5.012 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.189 4.841 5.821 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.082 5.032 4.180 1.00 0.00 C ATOM 0 H LEU A 81 6.688 9.341 3.470 1.00 0.00 H new ATOM 0 HA LEU A 81 5.480 7.315 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.500 6.059 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.833 7.184 3.386 1.00 0.00 H new ATOM 0 HG LEU A 81 8.593 6.438 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.826 4.217 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.507 5.411 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.615 4.209 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.685 4.404 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.567 4.406 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.728 5.739 3.659 1.00 0.00 H new ATOM 1324 N ASP A 82 7.125 7.857 7.124 1.00 0.00 N ATOM 1325 CA ASP A 82 7.856 8.361 8.290 1.00 0.00 C ATOM 1326 C ASP A 82 9.358 8.465 8.006 1.00 0.00 C ATOM 1327 O ASP A 82 9.962 7.546 7.442 1.00 0.00 O ATOM 1328 CB ASP A 82 7.602 7.445 9.496 1.00 0.00 C ATOM 1329 CG ASP A 82 8.490 7.766 10.688 1.00 0.00 C ATOM 1330 OD1 ASP A 82 8.387 8.888 11.227 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.294 6.896 11.088 1.00 0.00 O ATOM 0 H ASP A 82 6.589 7.009 7.308 1.00 0.00 H new ATOM 0 HA ASP A 82 7.493 9.364 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.557 7.530 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.765 6.409 9.198 1.00 0.00 H new ATOM 1336 N PHE A 83 9.953 9.585 8.414 1.00 0.00 N ATOM 1337 CA PHE A 83 11.360 9.865 8.138 1.00 0.00 C ATOM 1338 C PHE A 83 12.270 8.907 8.902 1.00 0.00 C ATOM 1339 O PHE A 83 13.244 8.390 8.353 1.00 0.00 O ATOM 1340 CB PHE A 83 11.698 11.319 8.498 1.00 0.00 C ATOM 1341 CG PHE A 83 10.834 12.327 7.782 1.00 0.00 C ATOM 1342 CD1 PHE A 83 11.073 12.649 6.453 1.00 0.00 C ATOM 1343 CD2 PHE A 83 9.774 12.945 8.436 1.00 0.00 C ATOM 1344 CE1 PHE A 83 10.277 13.566 5.793 1.00 0.00 C ATOM 1345 CE2 PHE A 83 8.976 13.862 7.778 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.228 14.173 6.457 1.00 0.00 C ATOM 0 H PHE A 83 9.478 10.318 8.941 1.00 0.00 H new ATOM 0 HA PHE A 83 11.529 9.718 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.587 11.455 9.574 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.744 11.512 8.258 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.891 12.177 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.572 12.706 9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.475 13.808 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.156 14.335 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.606 14.890 5.943 1.00 0.00 H new ATOM 1356 N HIS A 84 11.939 8.659 10.165 1.00 0.00 N ATOM 1357 CA HIS A 84 12.709 7.731 10.990 1.00 0.00 C ATOM 1358 C HIS A 84 12.734 6.344 10.349 1.00 0.00 C ATOM 1359 O HIS A 84 13.709 5.602 10.481 1.00 0.00 O ATOM 1360 CB HIS A 84 12.127 7.652 12.408 1.00 0.00 C ATOM 1361 CG HIS A 84 12.827 6.653 13.285 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.959 6.950 14.010 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.559 5.347 13.528 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.359 5.872 14.657 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.526 4.887 14.383 1.00 0.00 N ATOM 0 H HIS A 84 11.144 9.086 10.640 1.00 0.00 H new ATOM 0 HA HIS A 84 13.731 8.103 11.059 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.186 8.636 12.872 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.070 7.392 12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.737 4.775 13.123 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.223 5.807 15.302 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.591 3.937 14.748 1.00 0.00 H new ATOM 1374 N THR A 85 11.656 6.005 9.651 1.00 0.00 N ATOM 1375 CA THR A 85 11.567 4.727 8.961 1.00 0.00 C ATOM 1376 C THR A 85 12.572 4.662 7.809 1.00 0.00 C ATOM 1377 O THR A 85 13.299 3.677 7.671 1.00 0.00 O ATOM 1378 CB THR A 85 10.137 4.475 8.431 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.196 4.605 9.505 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.015 3.087 7.812 1.00 0.00 C ATOM 0 H THR A 85 10.833 6.598 9.549 1.00 0.00 H new ATOM 0 HA THR A 85 11.807 3.946 9.682 1.00 0.00 H new ATOM 0 HB THR A 85 9.924 5.214 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.348 5.453 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.998 2.939 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.714 2.996 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.245 2.332 8.564 1.00 0.00 H new ATOM 1388 N LYS A 86 12.636 5.725 6.996 1.00 0.00 N ATOM 1389 CA LYS A 86 13.561 5.743 5.860 1.00 0.00 C ATOM 1390 C LYS A 86 15.004 5.835 6.355 1.00 0.00 C ATOM 1391 O LYS A 86 15.927 5.409 5.667 1.00 0.00 O ATOM 1392 CB LYS A 86 13.250 6.886 4.870 1.00 0.00 C ATOM 1393 CG LYS A 86 13.556 8.291 5.386 1.00 0.00 C ATOM 1394 CD LYS A 86 13.492 9.334 4.267 1.00 0.00 C ATOM 1395 CE LYS A 86 12.094 9.458 3.665 1.00 0.00 C ATOM 1396 NZ LYS A 86 12.089 10.305 2.438 1.00 0.00 N ATOM 0 H LYS A 86 12.070 6.567 7.101 1.00 0.00 H new ATOM 0 HA LYS A 86 13.429 4.807 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.820 6.719 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.195 6.836 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.845 8.554 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.547 8.304 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.803 10.302 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.200 9.065 3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.714 8.466 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.417 9.886 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.113 10.588 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.668 11.154 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.483 9.764 1.641 1.00 0.00 H new ATOM 1410 N GLU A 87 15.184 6.385 7.558 1.00 0.00 N ATOM 1411 CA GLU A 87 16.495 6.431 8.207 1.00 0.00 C ATOM 1412 C GLU A 87 17.034 5.011 8.393 1.00 0.00 C ATOM 1413 O GLU A 87 18.153 4.688 7.980 1.00 0.00 O ATOM 1414 CB GLU A 87 16.380 7.145 9.565 1.00 0.00 C ATOM 1415 CG GLU A 87 17.675 7.188 10.376 1.00 0.00 C ATOM 1416 CD GLU A 87 18.774 7.995 9.705 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.721 9.242 9.761 1.00 0.00 O ATOM 1418 OE2 GLU A 87 19.698 7.392 9.120 1.00 0.00 O ATOM 0 H GLU A 87 14.433 6.807 8.105 1.00 0.00 H new ATOM 0 HA GLU A 87 17.189 6.987 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.040 8.166 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.612 6.647 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.468 7.614 11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.028 6.170 10.539 1.00 0.00 H new ATOM 1425 N VAL A 88 16.217 4.155 9.001 1.00 0.00 N ATOM 1426 CA VAL A 88 16.584 2.759 9.204 1.00 0.00 C ATOM 1427 C VAL A 88 16.849 2.085 7.855 1.00 0.00 C ATOM 1428 O VAL A 88 17.791 1.303 7.709 1.00 0.00 O ATOM 1429 CB VAL A 88 15.476 1.990 9.972 1.00 0.00 C ATOM 1430 CG1 VAL A 88 15.852 0.518 10.156 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.200 2.654 11.322 1.00 0.00 C ATOM 0 H VAL A 88 15.296 4.405 9.361 1.00 0.00 H new ATOM 0 HA VAL A 88 17.492 2.734 9.806 1.00 0.00 H new ATOM 0 HB VAL A 88 14.563 2.028 9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.057 0.004 10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.986 0.052 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.781 0.448 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.421 2.101 11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.111 2.653 11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.872 3.681 11.162 1.00 0.00 H new ATOM 1441 N ILE A 89 16.028 2.428 6.864 1.00 0.00 N ATOM 1442 CA ILE A 89 16.168 1.883 5.515 1.00 0.00 C ATOM 1443 C ILE A 89 17.503 2.300 4.889 1.00 0.00 C ATOM 1444 O ILE A 89 18.199 1.474 4.300 1.00 0.00 O ATOM 1445 CB ILE A 89 14.995 2.326 4.597 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.660 1.790 5.147 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.217 1.852 3.159 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.443 2.241 4.366 1.00 0.00 C ATOM 0 H ILE A 89 15.255 3.085 6.971 1.00 0.00 H new ATOM 0 HA ILE A 89 16.144 0.797 5.604 1.00 0.00 H new ATOM 0 HB ILE A 89 14.957 3.415 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 89 13.692 0.700 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.552 2.110 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.382 2.175 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.143 2.279 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.284 0.764 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.544 1.821 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.383 3.329 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.525 1.898 3.335 1.00 0.00 H new ATOM 1460 N THR A 90 17.875 3.570 5.045 1.00 0.00 N ATOM 1461 CA THR A 90 19.120 4.079 4.469 1.00 0.00 C ATOM 1462 C THR A 90 20.338 3.408 5.109 1.00 0.00 C ATOM 1463 O THR A 90 21.410 3.345 4.510 1.00 0.00 O ATOM 1464 CB THR A 90 19.230 5.622 4.603 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.012 6.029 5.960 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.223 6.330 3.702 1.00 0.00 C ATOM 0 H THR A 90 17.335 4.263 5.563 1.00 0.00 H new ATOM 0 HA THR A 90 19.102 3.834 3.407 1.00 0.00 H new ATOM 0 HB THR A 90 20.237 5.902 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.942 5.236 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.326 7.409 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.410 6.058 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.213 6.029 3.979 1.00 0.00 H new ATOM 1474 N ASN A 91 20.162 2.900 6.327 1.00 0.00 N ATOM 1475 CA ASN A 91 21.225 2.159 7.010 1.00 0.00 C ATOM 1476 C ASN A 91 21.190 0.678 6.628 1.00 0.00 C ATOM 1477 O ASN A 91 22.193 -0.027 6.752 1.00 0.00 O ATOM 1478 CB ASN A 91 21.107 2.313 8.536 1.00 0.00 C ATOM 1479 CG ASN A 91 21.597 3.666 9.031 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.782 3.835 9.327 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.696 4.630 9.138 1.00 0.00 N ATOM 0 H ASN A 91 19.297 2.986 6.861 1.00 0.00 H new ATOM 0 HA ASN A 91 22.179 2.578 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.066 2.178 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.681 1.524 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.973 5.552 9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.725 4.451 8.883 1.00 0.00 H new ATOM 1488 N SER A 92 20.036 0.212 6.160 1.00 0.00 N ATOM 1489 CA SER A 92 19.853 -1.196 5.813 1.00 0.00 C ATOM 1490 C SER A 92 19.989 -1.419 4.304 1.00 0.00 C ATOM 1491 O SER A 92 20.057 -2.561 3.847 1.00 0.00 O ATOM 1492 CB SER A 92 18.475 -1.678 6.297 1.00 0.00 C ATOM 1493 OG SER A 92 18.306 -3.072 6.087 1.00 0.00 O ATOM 0 H SER A 92 19.209 0.791 6.011 1.00 0.00 H new ATOM 0 HA SER A 92 20.633 -1.773 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.362 -1.453 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.692 -1.132 5.770 1.00 0.00 H new ATOM 0 HG SER A 92 18.842 -3.354 5.316 1.00 0.00 H new ATOM 1499 N ILE A 93 20.048 -0.326 3.539 1.00 0.00 N ATOM 1500 CA ILE A 93 20.087 -0.396 2.074 1.00 0.00 C ATOM 1501 C ILE A 93 21.285 -1.215 1.578 1.00 0.00 C ATOM 1502 O ILE A 93 21.245 -1.797 0.493 1.00 0.00 O ATOM 1503 CB ILE A 93 20.128 1.026 1.444 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.974 0.960 -0.087 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.421 1.749 1.820 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.657 0.367 -0.547 1.00 0.00 C ATOM 0 H ILE A 93 20.070 0.623 3.911 1.00 0.00 H new ATOM 0 HA ILE A 93 19.172 -0.897 1.758 1.00 0.00 H new ATOM 0 HB ILE A 93 19.287 1.591 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.071 1.966 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.791 0.368 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.428 2.741 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.483 1.843 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.276 1.179 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.624 0.355 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.565 -0.651 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.833 0.971 -0.166 1.00 0.00 H new ATOM 1518 N THR A 94 22.343 -1.265 2.384 1.00 0.00 N ATOM 1519 CA THR A 94 23.549 -2.007 2.029 1.00 0.00 C ATOM 1520 C THR A 94 23.255 -3.505 1.892 1.00 0.00 C ATOM 1521 O THR A 94 23.699 -4.146 0.935 1.00 0.00 O ATOM 1522 CB THR A 94 24.680 -1.775 3.068 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.838 -2.558 2.737 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.220 -2.114 4.484 1.00 0.00 C ATOM 0 H THR A 94 22.389 -0.799 3.290 1.00 0.00 H new ATOM 0 HA THR A 94 23.889 -1.632 1.064 1.00 0.00 H new ATOM 0 HB THR A 94 24.938 -0.716 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.541 -2.399 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.037 -1.940 5.184 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.372 -1.483 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 94 23.922 -3.161 4.529 1.00 0.00 H new ATOM 1532 N GLN A 95 22.498 -4.051 2.844 1.00 0.00 N ATOM 1533 CA GLN A 95 22.132 -5.468 2.844 1.00 0.00 C ATOM 1534 C GLN A 95 20.758 -5.650 3.486 1.00 0.00 C ATOM 1535 O GLN A 95 20.655 -5.981 4.667 1.00 0.00 O ATOM 1536 CB GLN A 95 23.176 -6.320 3.593 1.00 0.00 C ATOM 1537 CG GLN A 95 24.521 -6.434 2.882 1.00 0.00 C ATOM 1538 CD GLN A 95 25.491 -7.348 3.605 1.00 0.00 C ATOM 1539 OE1 GLN A 95 25.520 -8.554 3.365 1.00 0.00 O ATOM 1540 NE2 GLN A 95 26.296 -6.782 4.488 1.00 0.00 N ATOM 0 H GLN A 95 22.122 -3.526 3.634 1.00 0.00 H new ATOM 0 HA GLN A 95 22.100 -5.807 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.336 -5.890 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.771 -7.321 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.362 -6.808 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 95 24.963 -5.442 2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 95 26.241 -5.778 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 95 26.972 -7.349 4.999 1.00 0.00 H new ATOM 1549 N PRO A 96 19.681 -5.386 2.727 1.00 0.00 N ATOM 1550 CA PRO A 96 18.315 -5.539 3.220 1.00 0.00 C ATOM 1551 C PRO A 96 17.810 -6.978 3.081 1.00 0.00 C ATOM 1552 O PRO A 96 18.302 -7.741 2.247 1.00 0.00 O ATOM 1553 CB PRO A 96 17.528 -4.589 2.314 1.00 0.00 C ATOM 1554 CG PRO A 96 18.257 -4.617 1.010 1.00 0.00 C ATOM 1555 CD PRO A 96 19.709 -4.902 1.330 1.00 0.00 C ATOM 0 HA PRO A 96 18.220 -5.316 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.495 -4.918 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.497 -3.581 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.847 -5.385 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.155 -3.665 0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.126 -5.651 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.323 -4.007 1.230 1.00 0.00 H new ATOM 1563 N THR A 97 16.846 -7.344 3.920 1.00 0.00 N ATOM 1564 CA THR A 97 16.204 -8.653 3.843 1.00 0.00 C ATOM 1565 C THR A 97 14.990 -8.598 2.910 1.00 0.00 C ATOM 1566 O THR A 97 14.556 -7.510 2.519 1.00 0.00 O ATOM 1567 CB THR A 97 15.772 -9.142 5.247 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.026 -8.115 5.918 1.00 0.00 O ATOM 1569 CG2 THR A 97 16.986 -9.523 6.093 1.00 0.00 C ATOM 0 H THR A 97 16.490 -6.748 4.667 1.00 0.00 H new ATOM 0 HA THR A 97 16.929 -9.361 3.441 1.00 0.00 H new ATOM 0 HB THR A 97 15.146 -10.025 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.755 -8.433 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.654 -9.863 7.074 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.537 -10.323 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.635 -8.655 6.210 1.00 0.00 H new ATOM 1577 N LEU A 98 14.435 -9.769 2.579 1.00 0.00 N ATOM 1578 CA LEU A 98 13.329 -9.883 1.617 1.00 0.00 C ATOM 1579 C LEU A 98 12.154 -8.970 1.981 1.00 0.00 C ATOM 1580 O LEU A 98 11.399 -8.544 1.110 1.00 0.00 O ATOM 1581 CB LEU A 98 12.852 -11.343 1.512 1.00 0.00 C ATOM 1582 CG LEU A 98 13.710 -12.268 0.621 1.00 0.00 C ATOM 1583 CD1 LEU A 98 15.172 -12.263 1.053 1.00 0.00 C ATOM 1584 CD2 LEU A 98 13.155 -13.691 0.634 1.00 0.00 C ATOM 0 H LEU A 98 14.737 -10.662 2.968 1.00 0.00 H new ATOM 0 HA LEU A 98 13.711 -9.560 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 98 12.817 -11.767 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.831 -11.345 1.129 1.00 0.00 H new ATOM 0 HG LEU A 98 13.663 -11.882 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.745 -12.925 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 98 15.569 -11.250 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.248 -12.610 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 98 13.772 -14.328 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.164 -14.076 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.132 -13.686 0.257 1.00 0.00 H new ATOM 1596 N HIS A 99 11.994 -8.675 3.266 1.00 0.00 N ATOM 1597 CA HIS A 99 10.940 -7.765 3.704 1.00 0.00 C ATOM 1598 C HIS A 99 11.514 -6.712 4.645 1.00 0.00 C ATOM 1599 O HIS A 99 10.921 -6.387 5.672 1.00 0.00 O ATOM 1600 CB HIS A 99 9.784 -8.541 4.373 1.00 0.00 C ATOM 1601 CG HIS A 99 8.435 -8.166 3.836 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.328 -7.925 4.627 1.00 0.00 N ATOM 1603 CD2 HIS A 99 8.017 -8.005 2.559 1.00 0.00 C ATOM 1604 CE1 HIS A 99 6.295 -7.635 3.855 1.00 0.00 C ATOM 1605 NE2 HIS A 99 6.690 -7.678 2.601 1.00 0.00 N ATOM 0 H HIS A 99 12.574 -9.048 4.017 1.00 0.00 H new ATOM 0 HA HIS A 99 10.532 -7.258 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.941 -9.610 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.805 -8.357 5.447 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.311 -7.965 5.646 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.621 -8.115 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.297 -7.402 4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.100 -7.496 1.789 1.00 0.00 H new ATOM 1614 N SER A 100 12.671 -6.172 4.270 1.00 0.00 N ATOM 1615 CA SER A 100 13.313 -5.099 5.028 1.00 0.00 C ATOM 1616 C SER A 100 12.372 -3.897 5.157 1.00 0.00 C ATOM 1617 O SER A 100 12.339 -3.219 6.187 1.00 0.00 O ATOM 1618 CB SER A 100 14.619 -4.679 4.339 1.00 0.00 C ATOM 1619 OG SER A 100 15.305 -3.687 5.083 1.00 0.00 O ATOM 0 H SER A 100 13.187 -6.462 3.439 1.00 0.00 H new ATOM 0 HA SER A 100 13.542 -5.466 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.262 -5.550 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.399 -4.299 3.341 1.00 0.00 H new ATOM 0 HG SER A 100 16.132 -3.443 4.618 1.00 0.00 H new ATOM 1625 N PHE A 101 11.578 -3.672 4.114 1.00 0.00 N ATOM 1626 CA PHE A 101 10.650 -2.544 4.068 1.00 0.00 C ATOM 1627 C PHE A 101 9.354 -2.856 4.824 1.00 0.00 C ATOM 1628 O PHE A 101 8.365 -2.140 4.681 1.00 0.00 O ATOM 1629 CB PHE A 101 10.329 -2.190 2.608 1.00 0.00 C ATOM 1630 CG PHE A 101 11.541 -1.818 1.787 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.262 -2.790 1.106 1.00 0.00 C ATOM 1632 CD2 PHE A 101 11.957 -0.497 1.695 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.370 -2.453 0.352 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.066 -0.156 0.941 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.772 -1.134 0.268 1.00 0.00 C ATOM 0 H PHE A 101 11.559 -4.261 3.282 1.00 0.00 H new ATOM 0 HA PHE A 101 11.129 -1.694 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.832 -3.039 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.623 -1.359 2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.953 -3.823 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.409 0.273 2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.921 -3.220 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.380 0.876 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.636 -0.868 -0.323 1.00 0.00 H new ATOM 1645 N ASP A 102 9.367 -3.916 5.638 1.00 0.00 N ATOM 1646 CA ASP A 102 8.179 -4.331 6.394 1.00 0.00 C ATOM 1647 C ASP A 102 7.688 -3.192 7.290 1.00 0.00 C ATOM 1648 O ASP A 102 6.490 -2.913 7.357 1.00 0.00 O ATOM 1649 CB ASP A 102 8.487 -5.576 7.242 1.00 0.00 C ATOM 1650 CG ASP A 102 7.242 -6.203 7.860 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.740 -5.675 8.873 1.00 0.00 O ATOM 1652 OD2 ASP A 102 6.765 -7.235 7.337 1.00 0.00 O ATOM 0 H ASP A 102 10.187 -4.503 5.791 1.00 0.00 H new ATOM 0 HA ASP A 102 7.391 -4.580 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.989 -6.317 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.182 -5.304 8.037 1.00 0.00 H new ATOM 1657 N ALA A 103 8.626 -2.530 7.969 1.00 0.00 N ATOM 1658 CA ALA A 103 8.302 -1.386 8.820 1.00 0.00 C ATOM 1659 C ALA A 103 7.659 -0.268 8.002 1.00 0.00 C ATOM 1660 O ALA A 103 6.671 0.338 8.420 1.00 0.00 O ATOM 1661 CB ALA A 103 9.554 -0.879 9.531 1.00 0.00 C ATOM 0 H ALA A 103 9.618 -2.768 7.945 1.00 0.00 H new ATOM 0 HA ALA A 103 7.585 -1.712 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.295 -0.027 10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.968 -1.675 10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.293 -0.572 8.791 1.00 0.00 H new ATOM 1667 N ALA A 104 8.222 -0.015 6.822 1.00 0.00 N ATOM 1668 CA ALA A 104 7.702 1.008 5.922 1.00 0.00 C ATOM 1669 C ALA A 104 6.294 0.640 5.465 1.00 0.00 C ATOM 1670 O ALA A 104 5.417 1.500 5.346 1.00 0.00 O ATOM 1671 CB ALA A 104 8.635 1.181 4.727 1.00 0.00 C ATOM 0 H ALA A 104 9.042 -0.508 6.467 1.00 0.00 H new ATOM 0 HA ALA A 104 7.651 1.957 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.236 1.947 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.622 1.482 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.714 0.237 4.187 1.00 0.00 H new ATOM 1677 N GLN A 105 6.086 -0.651 5.237 1.00 0.00 N ATOM 1678 CA GLN A 105 4.789 -1.166 4.833 1.00 0.00 C ATOM 1679 C GLN A 105 3.763 -0.931 5.938 1.00 0.00 C ATOM 1680 O GLN A 105 2.654 -0.473 5.672 1.00 0.00 O ATOM 1681 CB GLN A 105 4.897 -2.660 4.494 1.00 0.00 C ATOM 1682 CG GLN A 105 3.583 -3.296 4.052 1.00 0.00 C ATOM 1683 CD GLN A 105 3.773 -4.703 3.510 1.00 0.00 C ATOM 1684 OE1 GLN A 105 3.712 -5.684 4.250 1.00 0.00 O ATOM 1685 NE2 GLN A 105 4.009 -4.809 2.212 1.00 0.00 N ATOM 0 H GLN A 105 6.809 -1.365 5.327 1.00 0.00 H new ATOM 0 HA GLN A 105 4.457 -0.636 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.635 -2.789 3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.270 -3.194 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.895 -3.325 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.121 -2.674 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.052 -3.971 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.148 -5.728 1.792 1.00 0.00 H new ATOM 1694 N SER A 106 4.155 -1.225 7.178 1.00 0.00 N ATOM 1695 CA SER A 106 3.294 -1.001 8.337 1.00 0.00 C ATOM 1696 C SER A 106 2.886 0.474 8.421 1.00 0.00 C ATOM 1697 O SER A 106 1.708 0.793 8.591 1.00 0.00 O ATOM 1698 CB SER A 106 4.019 -1.428 9.620 1.00 0.00 C ATOM 1699 OG SER A 106 4.435 -2.784 9.545 1.00 0.00 O ATOM 0 H SER A 106 5.067 -1.620 7.405 1.00 0.00 H new ATOM 0 HA SER A 106 2.392 -1.603 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.886 -0.787 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.358 -1.294 10.477 1.00 0.00 H new ATOM 0 HG SER A 106 5.186 -2.862 8.920 1.00 0.00 H new ATOM 1705 N ARG A 107 3.876 1.361 8.273 1.00 0.00 N ATOM 1706 CA ARG A 107 3.645 2.806 8.291 1.00 0.00 C ATOM 1707 C ARG A 107 2.557 3.197 7.295 1.00 0.00 C ATOM 1708 O ARG A 107 1.499 3.700 7.677 1.00 0.00 O ATOM 1709 CB ARG A 107 4.935 3.562 7.952 1.00 0.00 C ATOM 1710 CG ARG A 107 6.012 3.506 9.032 1.00 0.00 C ATOM 1711 CD ARG A 107 5.560 4.180 10.325 1.00 0.00 C ATOM 1712 NE ARG A 107 6.698 4.668 11.107 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.639 4.996 12.398 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.522 4.814 13.091 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.706 5.513 12.993 1.00 0.00 N ATOM 0 H ARG A 107 4.852 1.098 8.138 1.00 0.00 H new ATOM 0 HA ARG A 107 3.320 3.076 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.346 3.155 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.688 4.606 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.268 2.466 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.917 3.992 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.897 5.012 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.984 3.473 10.922 1.00 0.00 H new ATOM 0 HE ARG A 107 7.596 4.763 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.698 4.420 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.487 5.068 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.565 5.658 12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.667 5.766 13.980 1.00 0.00 H new ATOM 1729 N VAL A 108 2.831 2.943 6.024 1.00 0.00 N ATOM 1730 CA VAL A 108 1.938 3.328 4.935 1.00 0.00 C ATOM 1731 C VAL A 108 0.562 2.667 5.078 1.00 0.00 C ATOM 1732 O VAL A 108 -0.475 3.309 4.886 1.00 0.00 O ATOM 1733 CB VAL A 108 2.563 2.946 3.575 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.594 3.216 2.436 1.00 0.00 C ATOM 1735 CG2 VAL A 108 3.876 3.700 3.360 1.00 0.00 C ATOM 0 H VAL A 108 3.678 2.465 5.716 1.00 0.00 H new ATOM 0 HA VAL A 108 1.802 4.408 4.982 1.00 0.00 H new ATOM 0 HB VAL A 108 2.777 1.877 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.058 2.939 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.688 2.628 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.340 4.276 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.303 3.419 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.686 4.773 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.576 3.446 4.156 1.00 0.00 H new ATOM 1745 N TYR A 109 0.570 1.389 5.434 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.652 0.597 5.579 1.00 0.00 C ATOM 1747 C TYR A 109 -1.615 1.247 6.577 1.00 0.00 C ATOM 1748 O TYR A 109 -2.785 1.479 6.261 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.272 -0.827 6.020 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.433 -1.757 6.346 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.980 -1.804 7.628 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.960 -2.611 5.380 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -3.017 -2.666 7.931 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.994 -3.479 5.681 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.519 -3.503 6.957 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.545 -4.372 7.260 1.00 0.00 O ATOM 0 H TYR A 109 1.424 0.868 5.632 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.170 0.551 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.323 -1.284 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.368 -0.755 6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.587 -1.156 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.554 -2.595 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.433 -2.684 8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.389 -4.136 4.920 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.103 -3.986 7.967 1.00 0.00 H new ATOM 1766 N GLN A 110 -1.117 1.565 7.773 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.965 2.128 8.825 1.00 0.00 C ATOM 1768 C GLN A 110 -2.332 3.584 8.528 1.00 0.00 C ATOM 1769 O GLN A 110 -3.351 4.083 9.016 1.00 0.00 O ATOM 1770 CB GLN A 110 -1.298 1.983 10.208 1.00 0.00 C ATOM 1771 CG GLN A 110 0.041 2.703 10.365 1.00 0.00 C ATOM 1772 CD GLN A 110 -0.094 4.184 10.688 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -1.054 4.616 11.327 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.873 4.970 10.246 1.00 0.00 N ATOM 0 H GLN A 110 -0.139 1.444 8.036 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.894 1.559 8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.985 2.359 10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -1.148 0.923 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.613 2.219 11.156 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.613 2.592 9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.652 4.574 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.840 5.973 10.431 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.505 4.259 7.724 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.798 5.627 7.291 1.00 0.00 C ATOM 1785 C LEU A 111 -3.010 5.639 6.364 1.00 0.00 C ATOM 1786 O LEU A 111 -3.946 6.420 6.557 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.586 6.256 6.580 1.00 0.00 C ATOM 1788 CG LEU A 111 0.583 6.663 7.494 1.00 0.00 C ATOM 1789 CD1 LEU A 111 1.759 7.184 6.669 1.00 0.00 C ATOM 1790 CD2 LEU A 111 0.132 7.710 8.513 1.00 0.00 C ATOM 0 H LEU A 111 -0.630 3.881 7.361 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.019 6.221 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.215 5.548 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.924 7.139 6.037 1.00 0.00 H new ATOM 0 HG LEU A 111 0.914 5.778 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.574 7.466 7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.100 6.404 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.443 8.054 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.973 7.984 9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.230 8.595 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.669 7.298 9.127 1.00 0.00 H new ATOM 1802 N MET A 112 -2.994 4.757 5.364 1.00 0.00 N ATOM 1803 CA MET A 112 -4.113 4.639 4.432 1.00 0.00 C ATOM 1804 C MET A 112 -5.355 4.167 5.172 1.00 0.00 C ATOM 1805 O MET A 112 -6.467 4.593 4.875 1.00 0.00 O ATOM 1806 CB MET A 112 -3.790 3.662 3.291 1.00 0.00 C ATOM 1807 CG MET A 112 -2.596 4.065 2.439 1.00 0.00 C ATOM 1808 SD MET A 112 -2.399 3.009 0.987 1.00 0.00 S ATOM 1809 CE MET A 112 -2.396 1.383 1.742 1.00 0.00 C ATOM 0 H MET A 112 -2.221 4.117 5.180 1.00 0.00 H new ATOM 0 HA MET A 112 -4.294 5.622 3.998 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.602 2.676 3.716 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.666 3.571 2.648 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.714 5.100 2.119 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.690 4.020 3.043 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.988 0.656 1.039 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.782 1.401 2.643 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.416 1.101 2.004 1.00 0.00 H new ATOM 1819 N GLU A 113 -5.153 3.288 6.144 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.249 2.755 6.942 1.00 0.00 C ATOM 1821 C GLU A 113 -7.048 3.893 7.592 1.00 0.00 C ATOM 1822 O GLU A 113 -8.201 4.151 7.229 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.703 1.796 8.009 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.777 1.122 8.857 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.192 0.177 9.896 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.760 0.660 10.966 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -6.160 -1.050 9.648 1.00 0.00 O ATOM 0 H GLU A 113 -4.234 2.927 6.400 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.923 2.202 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.108 1.026 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.031 2.347 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.371 1.886 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.454 0.568 8.207 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.396 4.614 8.500 1.00 0.00 N ATOM 1835 CA GLN A 114 -7.061 5.619 9.333 1.00 0.00 C ATOM 1836 C GLN A 114 -7.674 6.765 8.517 1.00 0.00 C ATOM 1837 O GLN A 114 -8.496 7.525 9.037 1.00 0.00 O ATOM 1838 CB GLN A 114 -6.073 6.195 10.355 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.853 6.857 9.725 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.910 7.448 10.758 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -4.039 8.613 11.132 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.958 6.655 11.225 1.00 0.00 N ATOM 0 H GLN A 114 -5.396 4.521 8.681 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.879 5.108 9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.591 6.926 10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.740 5.395 11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.315 6.123 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.181 7.644 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.884 5.695 10.890 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.299 7.005 11.920 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.284 6.907 7.251 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.761 8.030 6.439 1.00 0.00 C ATOM 1853 C ASP A 115 -8.485 7.560 5.179 1.00 0.00 C ATOM 1854 O ASP A 115 -9.671 7.840 4.989 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.593 8.945 6.059 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.062 10.215 5.366 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.533 11.137 6.067 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -6.963 10.297 4.127 1.00 0.00 O ATOM 0 H ASP A 115 -6.649 6.270 6.769 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.477 8.586 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.033 9.208 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.910 8.406 5.403 1.00 0.00 H new ATOM 1863 N SER A 116 -7.766 6.855 4.319 1.00 0.00 N ATOM 1864 CA SER A 116 -8.314 6.399 3.047 1.00 0.00 C ATOM 1865 C SER A 116 -9.384 5.324 3.267 1.00 0.00 C ATOM 1866 O SER A 116 -10.420 5.323 2.602 1.00 0.00 O ATOM 1867 CB SER A 116 -7.185 5.848 2.166 1.00 0.00 C ATOM 1868 OG SER A 116 -6.027 6.665 2.250 1.00 0.00 O ATOM 0 H SER A 116 -6.796 6.584 4.479 1.00 0.00 H new ATOM 0 HA SER A 116 -8.783 7.246 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.940 4.832 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.521 5.793 1.131 1.00 0.00 H new ATOM 0 HG SER A 116 -5.321 6.292 1.681 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.144 4.436 4.231 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.014 3.285 4.457 1.00 0.00 C ATOM 1876 C TYR A 117 -11.277 3.694 5.208 1.00 0.00 C ATOM 1877 O TYR A 117 -12.363 3.192 4.924 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.238 2.201 5.213 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.074 1.041 5.721 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.778 0.219 4.848 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.142 0.762 7.083 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.525 -0.843 5.318 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.882 -0.299 7.557 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.570 -1.097 6.673 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.303 -2.159 7.146 1.00 0.00 O ATOM 0 H TYR A 117 -8.351 4.493 4.870 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.331 2.881 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.462 1.808 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.734 2.663 6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.740 0.414 3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.605 1.388 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.071 -1.471 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.922 -0.503 8.617 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.257 -2.899 6.506 1.00 0.00 H new ATOM 1895 N THR A 118 -11.135 4.614 6.157 1.00 0.00 N ATOM 1896 CA THR A 118 -12.285 5.138 6.885 1.00 0.00 C ATOM 1897 C THR A 118 -13.252 5.823 5.918 1.00 0.00 C ATOM 1898 O THR A 118 -14.458 5.549 5.916 1.00 0.00 O ATOM 1899 CB THR A 118 -11.841 6.125 7.991 1.00 0.00 C ATOM 1900 OG1 THR A 118 -10.918 7.080 7.451 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.188 5.386 9.157 1.00 0.00 C ATOM 0 H THR A 118 -10.239 5.011 6.439 1.00 0.00 H new ATOM 0 HA THR A 118 -12.795 4.302 7.364 1.00 0.00 H new ATOM 0 HB THR A 118 -12.727 6.640 8.361 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.193 7.233 8.092 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.886 6.104 9.919 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.900 4.680 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.311 4.845 8.800 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.706 6.695 5.071 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.498 7.360 4.041 1.00 0.00 C ATOM 1911 C ARG A 119 -14.027 6.337 3.031 1.00 0.00 C ATOM 1912 O ARG A 119 -15.141 6.475 2.525 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.676 8.456 3.339 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.395 9.667 4.231 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.756 10.827 3.462 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.344 10.595 3.146 1.00 0.00 N ATOM 1917 CZ ARG A 119 -9.710 11.145 2.104 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.370 11.886 1.222 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -8.411 10.958 1.941 1.00 0.00 N ATOM 0 H ARG A 119 -11.720 6.956 5.079 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.352 7.840 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.729 8.032 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -13.210 8.786 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.327 10.005 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.735 9.369 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.308 10.990 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -11.846 11.740 4.051 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.812 9.976 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.372 12.041 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.875 12.300 0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.889 10.393 2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.931 11.379 1.145 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.231 5.298 2.768 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.632 4.221 1.861 1.00 0.00 C ATOM 1935 C PHE A 120 -14.880 3.513 2.385 1.00 0.00 C ATOM 1936 O PHE A 120 -15.751 3.126 1.612 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.486 3.212 1.678 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.813 2.068 0.747 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.747 2.236 -0.630 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.183 0.827 1.248 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.042 1.192 -1.484 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.480 -0.220 0.397 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.409 -0.038 -0.970 1.00 0.00 C ATOM 0 H PHE A 120 -12.302 5.180 3.172 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.864 4.662 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.611 3.738 1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.214 2.807 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.462 3.195 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.239 0.678 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.986 1.336 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.767 -1.180 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.640 -0.856 -1.637 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.962 3.348 3.702 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.133 2.732 4.326 1.00 0.00 C ATOM 1955 C LEU A 121 -17.375 3.585 4.095 1.00 0.00 C ATOM 1956 O LEU A 121 -18.441 3.078 3.750 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.920 2.556 5.836 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.804 1.586 6.245 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.667 1.559 7.764 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.071 0.183 5.697 1.00 0.00 C ATOM 0 H LEU A 121 -14.234 3.631 4.358 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.274 1.753 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.704 3.532 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.855 2.211 6.278 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.865 1.936 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.873 0.868 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.424 2.558 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.607 1.232 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.266 -0.486 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.018 -0.187 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.120 0.221 4.609 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.224 4.891 4.287 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.359 5.808 4.227 1.00 0.00 C ATOM 1974 C LYS A 122 -18.548 6.384 2.820 1.00 0.00 C ATOM 1975 O LYS A 122 -19.406 7.242 2.601 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.171 6.935 5.261 1.00 0.00 C ATOM 1977 CG LYS A 122 -19.441 7.728 5.557 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.592 6.805 5.948 1.00 0.00 C ATOM 1979 CE LYS A 122 -21.848 7.579 6.321 1.00 0.00 C ATOM 1980 NZ LYS A 122 -22.261 8.527 5.252 1.00 0.00 N ATOM 0 H LYS A 122 -16.329 5.339 4.485 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.263 5.249 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.801 6.502 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.404 7.620 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.250 8.437 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.721 8.311 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.814 6.133 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.287 6.183 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -22.660 6.879 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -21.672 8.130 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -23.212 8.893 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -21.587 9.318 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.274 8.034 4.337 1.00 0.00 H new ATOM 1994 N SER A 123 -17.754 5.908 1.867 1.00 0.00 N ATOM 1995 CA SER A 123 -17.865 6.368 0.486 1.00 0.00 C ATOM 1996 C SER A 123 -19.170 5.883 -0.148 1.00 0.00 C ATOM 1997 O SER A 123 -19.603 4.751 0.085 1.00 0.00 O ATOM 1998 CB SER A 123 -16.675 5.873 -0.340 1.00 0.00 C ATOM 1999 OG SER A 123 -16.719 4.466 -0.507 1.00 0.00 O ATOM 0 H SER A 123 -17.030 5.207 2.023 1.00 0.00 H new ATOM 0 HA SER A 123 -17.865 7.458 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.679 6.358 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.744 6.155 0.152 1.00 0.00 H new ATOM 0 HG SER A 123 -16.241 4.034 0.231 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.787 6.745 -0.951 1.00 0.00 N ATOM 2006 CA ASP A 124 -21.012 6.406 -1.677 1.00 0.00 C ATOM 2007 C ASP A 124 -20.810 5.160 -2.545 1.00 0.00 C ATOM 2008 O ASP A 124 -21.730 4.363 -2.725 1.00 0.00 O ATOM 2009 CB ASP A 124 -21.454 7.598 -2.539 1.00 0.00 C ATOM 2010 CG ASP A 124 -22.613 7.269 -3.470 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -23.719 6.964 -2.977 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -22.426 7.336 -4.705 1.00 0.00 O ATOM 0 H ASP A 124 -19.455 7.695 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.794 6.183 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.743 8.422 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.607 7.943 -3.132 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.591 4.987 -3.057 1.00 0.00 N ATOM 2018 CA ILE A 125 -19.265 3.834 -3.895 1.00 0.00 C ATOM 2019 C ILE A 125 -19.348 2.541 -3.074 1.00 0.00 C ATOM 2020 O ILE A 125 -19.805 1.508 -3.571 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.862 3.998 -4.567 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.599 2.915 -5.643 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.745 4.003 -3.523 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.094 1.583 -5.112 1.00 0.00 C ATOM 0 H ILE A 125 -18.814 5.630 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.999 3.774 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.866 4.964 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -18.523 2.741 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.871 3.303 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.782 4.118 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.897 4.831 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.758 3.063 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -16.941 0.894 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -16.150 1.734 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -17.828 1.164 -4.424 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.937 2.603 -1.805 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.033 1.445 -0.917 1.00 0.00 C ATOM 2038 C TYR A 126 -20.486 1.231 -0.498 1.00 0.00 C ATOM 2039 O TYR A 126 -20.955 0.096 -0.392 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.143 1.620 0.320 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.099 0.391 1.216 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.305 -0.703 0.889 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.860 0.322 2.380 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.268 -1.825 1.696 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.829 -0.798 3.189 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.031 -1.868 2.843 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.002 -2.988 3.643 1.00 0.00 O ATOM 0 H TYR A 126 -18.538 3.436 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.683 0.567 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.130 1.861 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.504 2.470 0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.707 -0.676 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.485 1.158 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.644 -2.665 1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.427 -0.835 4.088 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.282 -3.583 3.346 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.197 2.333 -0.270 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.622 2.279 0.050 1.00 0.00 C ATOM 2059 C LEU A 127 -23.396 1.655 -1.114 1.00 0.00 C ATOM 2060 O LEU A 127 -24.447 1.034 -0.922 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.159 3.685 0.371 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.521 4.370 1.594 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.097 5.771 1.793 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.710 3.521 2.850 1.00 0.00 C ATOM 0 H LEU A 127 -20.809 3.276 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.760 1.656 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -23.008 4.321 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.235 3.617 0.534 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.451 4.468 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -22.632 6.236 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -22.897 6.375 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -24.173 5.703 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -22.252 4.024 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.775 3.384 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.239 2.549 2.706 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.858 1.823 -2.321 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.399 1.174 -3.515 1.00 0.00 C ATOM 2078 C ASP A 128 -23.150 -0.332 -3.452 1.00 0.00 C ATOM 2079 O ASP A 128 -24.024 -1.133 -3.789 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.758 1.762 -4.782 1.00 0.00 C ATOM 2081 CG ASP A 128 -23.224 1.070 -6.057 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -24.246 1.499 -6.636 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -22.567 0.099 -6.493 1.00 0.00 O ATOM 0 H ASP A 128 -22.041 2.408 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.473 1.354 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.995 2.824 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.674 1.681 -4.706 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.949 -0.706 -3.007 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.576 -2.115 -2.856 1.00 0.00 C ATOM 2090 C LEU A 129 -22.459 -2.795 -1.811 1.00 0.00 C ATOM 2091 O LEU A 129 -22.643 -4.014 -1.836 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.097 -2.246 -2.462 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.087 -1.716 -3.494 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.658 -1.850 -2.970 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -19.243 -2.447 -4.829 1.00 0.00 C ATOM 0 H LEU A 129 -21.214 -0.049 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.725 -2.609 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -19.941 -1.716 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.881 -3.298 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 129 -19.292 -0.658 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.960 -1.469 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.553 -1.277 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.440 -2.899 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.519 -2.057 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -19.070 -3.513 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -20.252 -2.293 -5.213 1.00 0.00 H new ATOM 2107 N MET A 130 -22.984 -1.998 -0.884 1.00 0.00 N ATOM 2108 CA MET A 130 -23.927 -2.493 0.114 1.00 0.00 C ATOM 2109 C MET A 130 -25.313 -2.656 -0.504 1.00 0.00 C ATOM 2110 O MET A 130 -25.905 -3.735 -0.439 1.00 0.00 O ATOM 2111 CB MET A 130 -23.998 -1.542 1.321 1.00 0.00 C ATOM 2112 CG MET A 130 -22.730 -1.488 2.177 1.00 0.00 C ATOM 2113 SD MET A 130 -22.418 -3.015 3.104 1.00 0.00 S ATOM 2114 CE MET A 130 -21.533 -4.008 1.900 1.00 0.00 C ATOM 0 H MET A 130 -22.771 -1.004 -0.804 1.00 0.00 H new ATOM 0 HA MET A 130 -23.575 -3.464 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.218 -0.537 0.960 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.833 -1.844 1.954 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.875 -1.282 1.533 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.809 -0.657 2.878 1.00 0.00 H new ATOM 0 HE1 MET A 130 -20.748 -4.573 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.225 -4.698 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.087 -3.357 1.148 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.819 -1.573 -1.108 1.00 0.00 N ATOM 2125 CA GLU A 131 -27.154 -1.565 -1.715 1.00 0.00 C ATOM 2126 C GLU A 131 -28.195 -2.013 -0.680 1.00 0.00 C ATOM 2127 O GLU A 131 -29.171 -2.698 -0.993 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.168 -2.467 -2.970 1.00 0.00 C ATOM 2129 CG GLU A 131 -28.456 -2.396 -3.793 1.00 0.00 C ATOM 2130 CD GLU A 131 -28.816 -0.980 -4.216 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -28.266 -0.492 -5.225 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -29.663 -0.350 -3.548 1.00 0.00 O ATOM 0 H GLU A 131 -25.320 -0.687 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 131 -27.410 -0.554 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -26.329 -2.191 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -27.007 -3.500 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -28.347 -3.018 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -29.276 -2.814 -3.210 1.00 0.00 H new ATOM 2139 N GLY A 132 -27.976 -1.589 0.561 1.00 0.00 N ATOM 2140 CA GLY A 132 -28.800 -2.022 1.673 1.00 0.00 C ATOM 2141 C GLY A 132 -28.090 -3.084 2.482 1.00 0.00 C ATOM 2142 O GLY A 132 -27.715 -2.850 3.631 1.00 0.00 O ATOM 0 H GLY A 132 -27.230 -0.943 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -29.037 -1.170 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -29.746 -2.414 1.300 1.00 0.00 H new ATOM 2146 N ARG A 133 -27.890 -4.240 1.850 1.00 0.00 N ATOM 2147 CA ARG A 133 -27.126 -5.352 2.424 1.00 0.00 C ATOM 2148 C ARG A 133 -27.770 -5.862 3.726 1.00 0.00 C ATOM 2149 O ARG A 133 -27.779 -5.161 4.740 1.00 0.00 O ATOM 2150 CB ARG A 133 -25.658 -4.923 2.649 1.00 0.00 C ATOM 2151 CG ARG A 133 -24.680 -6.081 2.873 1.00 0.00 C ATOM 2152 CD ARG A 133 -24.609 -6.516 4.329 1.00 0.00 C ATOM 2153 NE ARG A 133 -23.965 -5.509 5.177 1.00 0.00 N ATOM 2154 CZ ARG A 133 -23.959 -5.554 6.510 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -24.660 -6.485 7.146 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -23.281 -4.648 7.206 1.00 0.00 N ATOM 0 H ARG A 133 -28.256 -4.435 0.918 1.00 0.00 H new ATOM 0 HA ARG A 133 -27.138 -6.182 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -25.326 -4.347 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -25.616 -4.258 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -24.981 -6.930 2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -23.687 -5.782 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -25.616 -6.709 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -24.058 -7.454 4.400 1.00 0.00 H new ATOM 0 HE ARG A 133 -23.494 -4.728 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -25.203 -7.166 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -24.655 -6.519 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -22.763 -3.915 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -23.278 -4.685 8.225 1.00 0.00 H new ATOM 2170 N PRO A 134 -28.319 -7.100 3.708 1.00 0.00 N ATOM 2171 CA PRO A 134 -28.963 -7.712 4.887 1.00 0.00 C ATOM 2172 C PRO A 134 -28.081 -7.663 6.140 1.00 0.00 C ATOM 2173 O PRO A 134 -26.854 -7.568 6.041 1.00 0.00 O ATOM 2174 CB PRO A 134 -29.197 -9.165 4.447 1.00 0.00 C ATOM 2175 CG PRO A 134 -29.310 -9.090 2.962 1.00 0.00 C ATOM 2176 CD PRO A 134 -28.365 -7.996 2.534 1.00 0.00 C ATOM 0 HA PRO A 134 -29.873 -7.183 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -28.372 -9.810 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -30.103 -9.574 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -29.042 -10.041 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -30.332 -8.865 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -27.378 -8.390 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -28.728 -7.477 1.647 1.00 0.00 H new TER 2184 PRO A 134