USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -18.5! C(o=-33!,f=-35!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -14.4! (180deg=-9.15!) USER MOD Set 2.1: A 75 SER OG : rot 85:sc= -1.57 USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -4.9! (180deg=-4.89!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= -0.0185 USER MOD Set 3.2: A 92 THR OG1 : rot 145:sc= -0.39 USER MOD Set 4.1: A 25 THR OG1 : rot 160:sc= 1.04 USER MOD Set 4.2: A 37 THR OG1 : rot -20:sc= 1.84 USER MOD Set 5.1: A 19 HIS : no HE2:sc= 1.07 K(o=1.9,f=-3!) USER MOD Set 5.2: A 24 SER OG : rot -75:sc= 0.852 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 52:sc= 0.147 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 17 GLN : amide:sc= -0.412 K(o=-0.41,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -11! C(o=-11!,f=-7!) USER MOD Single : A 21 ASN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00173 X(o=-0.0017,f=-0.31) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 21:sc= 0.61 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -27:sc= 1.33 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -102:sc= -0.0908 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-12!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 1.15 (180deg=0.899) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 48:sc= 0.0594 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.15 (180deg=-2.15) USER MOD Single : A 105 HEM CMD :methyl -30:sc=-0.00368 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.632 1.777 -31.458 1.00 0.00 N ATOM 2 CA ALA A 1 33.273 2.007 -30.070 1.00 0.00 C ATOM 3 C ALA A 1 31.858 2.587 -30.003 1.00 0.00 C ATOM 4 O ALA A 1 31.642 3.746 -30.353 1.00 0.00 O ATOM 5 CB ALA A 1 34.310 2.924 -29.418 1.00 0.00 C ATOM 0 H1 ALA A 1 34.593 1.383 -31.507 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.961 1.107 -31.884 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.600 2.677 -31.979 1.00 0.00 H new ATOM 0 HA ALA A 1 33.272 1.069 -29.514 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.040 3.096 -28.376 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.292 2.454 -29.465 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.338 3.876 -29.948 1.00 0.00 H new ATOM 11 N GLU A 2 30.931 1.755 -29.550 1.00 0.00 N ATOM 12 CA GLU A 2 29.544 2.171 -29.433 1.00 0.00 C ATOM 13 C GLU A 2 28.698 1.035 -28.855 1.00 0.00 C ATOM 14 O GLU A 2 29.155 -0.103 -28.763 1.00 0.00 O ATOM 15 CB GLU A 2 28.995 2.631 -30.786 1.00 0.00 C ATOM 16 CG GLU A 2 28.960 1.474 -31.786 1.00 0.00 C ATOM 17 CD GLU A 2 28.875 1.992 -33.222 1.00 0.00 C ATOM 18 OE1 GLU A 2 29.954 2.225 -33.807 1.00 0.00 O ATOM 19 OE2 GLU A 2 27.731 2.146 -33.704 1.00 0.00 O ATOM 0 H GLU A 2 31.114 0.794 -29.260 1.00 0.00 H new ATOM 0 HA GLU A 2 29.494 3.019 -28.750 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.991 3.035 -30.657 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.615 3.437 -31.179 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.854 0.861 -31.669 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.104 0.833 -31.576 1.00 0.00 H new ATOM 26 N GLU A 3 27.475 1.385 -28.478 1.00 0.00 N ATOM 27 CA GLU A 3 26.560 0.410 -27.911 1.00 0.00 C ATOM 28 C GLU A 3 25.288 1.101 -27.416 1.00 0.00 C ATOM 29 O GLU A 3 25.268 2.318 -27.239 1.00 0.00 O ATOM 30 CB GLU A 3 27.229 -0.379 -26.783 1.00 0.00 C ATOM 31 CG GLU A 3 27.196 -1.881 -27.070 1.00 0.00 C ATOM 32 CD GLU A 3 27.397 -2.689 -25.786 1.00 0.00 C ATOM 33 OE1 GLU A 3 26.474 -2.652 -24.942 1.00 0.00 O ATOM 34 OE2 GLU A 3 28.468 -3.326 -25.677 1.00 0.00 O ATOM 0 H GLU A 3 27.098 2.330 -28.555 1.00 0.00 H new ATOM 0 HA GLU A 3 26.285 -0.298 -28.692 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.262 -0.050 -26.667 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.721 -0.174 -25.840 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.242 -2.147 -27.526 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.975 -2.135 -27.789 1.00 0.00 H new ATOM 41 N SER A 4 24.258 0.295 -27.208 1.00 0.00 N ATOM 42 CA SER A 4 22.984 0.814 -26.738 1.00 0.00 C ATOM 43 C SER A 4 21.986 -0.333 -26.558 1.00 0.00 C ATOM 44 O SER A 4 22.300 -1.486 -26.853 1.00 0.00 O ATOM 45 CB SER A 4 22.424 1.858 -27.705 1.00 0.00 C ATOM 46 OG SER A 4 22.076 1.288 -28.963 1.00 0.00 O ATOM 0 H SER A 4 24.279 -0.714 -27.356 1.00 0.00 H new ATOM 0 HA SER A 4 23.147 1.300 -25.776 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.544 2.326 -27.263 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.162 2.646 -27.856 1.00 0.00 H new ATOM 0 HG SER A 4 21.721 1.986 -29.552 1.00 0.00 H new ATOM 52 N SER A 5 20.806 0.025 -26.076 1.00 0.00 N ATOM 53 CA SER A 5 19.759 -0.960 -25.853 1.00 0.00 C ATOM 54 C SER A 5 18.427 -0.256 -25.587 1.00 0.00 C ATOM 55 O SER A 5 18.379 0.968 -25.476 1.00 0.00 O ATOM 56 CB SER A 5 20.114 -1.885 -24.687 1.00 0.00 C ATOM 57 OG SER A 5 20.520 -3.175 -25.134 1.00 0.00 O ATOM 0 H SER A 5 20.550 0.982 -25.833 1.00 0.00 H new ATOM 0 HA SER A 5 19.666 -1.571 -26.751 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.915 -1.436 -24.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.252 -1.985 -24.028 1.00 0.00 H new ATOM 0 HG SER A 5 21.222 -3.081 -25.811 1.00 0.00 H new ATOM 63 N LYS A 6 17.379 -1.060 -25.492 1.00 0.00 N ATOM 64 CA LYS A 6 16.049 -0.530 -25.240 1.00 0.00 C ATOM 65 C LYS A 6 15.017 -1.645 -25.425 1.00 0.00 C ATOM 66 O LYS A 6 15.379 -2.798 -25.653 1.00 0.00 O ATOM 67 CB LYS A 6 15.788 0.699 -26.114 1.00 0.00 C ATOM 68 CG LYS A 6 15.785 1.977 -25.276 1.00 0.00 C ATOM 69 CD LYS A 6 15.839 3.219 -26.167 1.00 0.00 C ATOM 70 CE LYS A 6 16.139 4.473 -25.344 1.00 0.00 C ATOM 71 NZ LYS A 6 16.373 5.633 -26.232 1.00 0.00 N ATOM 0 H LYS A 6 17.423 -2.075 -25.585 1.00 0.00 H new ATOM 0 HA LYS A 6 15.966 -0.185 -24.210 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.553 0.769 -26.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.830 0.591 -26.622 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.888 2.008 -24.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.639 1.974 -24.599 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.606 3.089 -26.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.888 3.340 -26.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.305 4.683 -24.674 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.016 4.304 -24.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.575 6.475 -25.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.183 5.436 -26.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.526 5.804 -26.810 1.00 0.00 H new ATOM 85 N ALA A 7 13.754 -1.261 -25.316 1.00 0.00 N ATOM 86 CA ALA A 7 12.667 -2.215 -25.467 1.00 0.00 C ATOM 87 C ALA A 7 12.650 -3.155 -24.262 1.00 0.00 C ATOM 88 O ALA A 7 12.959 -4.339 -24.389 1.00 0.00 O ATOM 89 CB ALA A 7 12.827 -2.965 -26.791 1.00 0.00 C ATOM 0 H ALA A 7 13.458 -0.304 -25.125 1.00 0.00 H new ATOM 0 HA ALA A 7 11.706 -1.702 -25.498 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.012 -3.680 -26.905 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.804 -2.254 -27.617 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.779 -3.496 -26.796 1.00 0.00 H new ATOM 95 N VAL A 8 12.283 -2.595 -23.118 1.00 0.00 N ATOM 96 CA VAL A 8 12.221 -3.369 -21.891 1.00 0.00 C ATOM 97 C VAL A 8 11.743 -4.786 -22.211 1.00 0.00 C ATOM 98 O VAL A 8 12.475 -5.754 -22.007 1.00 0.00 O ATOM 99 CB VAL A 8 11.333 -2.657 -20.866 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.434 -1.623 -21.547 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.506 -3.662 -20.065 1.00 0.00 C ATOM 0 H VAL A 8 12.025 -1.613 -23.016 1.00 0.00 H new ATOM 0 HA VAL A 8 13.211 -3.452 -21.442 1.00 0.00 H new ATOM 0 HB VAL A 8 11.982 -2.129 -20.168 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.813 -1.131 -20.798 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.052 -0.880 -22.051 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.796 -2.120 -22.277 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.885 -3.130 -19.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.870 -4.231 -20.742 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.173 -4.343 -19.536 1.00 0.00 H new ATOM 111 N LYS A 9 10.517 -4.866 -22.709 1.00 0.00 N ATOM 112 CA LYS A 9 9.933 -6.149 -23.059 1.00 0.00 C ATOM 113 C LYS A 9 9.474 -6.861 -21.785 1.00 0.00 C ATOM 114 O LYS A 9 8.309 -7.239 -21.667 1.00 0.00 O ATOM 115 CB LYS A 9 10.909 -6.969 -23.904 1.00 0.00 C ATOM 116 CG LYS A 9 10.307 -7.302 -25.271 1.00 0.00 C ATOM 117 CD LYS A 9 11.395 -7.384 -26.344 1.00 0.00 C ATOM 118 CE LYS A 9 10.781 -7.452 -27.744 1.00 0.00 C ATOM 119 NZ LYS A 9 11.303 -8.624 -28.481 1.00 0.00 N ATOM 0 H LYS A 9 9.912 -4.062 -22.878 1.00 0.00 H new ATOM 0 HA LYS A 9 9.049 -6.008 -23.681 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.837 -6.412 -24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.163 -7.891 -23.380 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.773 -8.251 -25.216 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.577 -6.541 -25.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.048 -6.515 -26.272 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.015 -8.264 -26.172 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.695 -7.516 -27.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.009 -6.538 -28.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.877 -8.656 -29.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.336 -8.547 -28.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.063 -9.494 -27.964 1.00 0.00 H new ATOM 133 N TYR A 10 10.412 -7.022 -20.865 1.00 0.00 N ATOM 134 CA TYR A 10 10.118 -7.681 -19.604 1.00 0.00 C ATOM 135 C TYR A 10 10.778 -6.946 -18.434 1.00 0.00 C ATOM 136 O TYR A 10 12.002 -6.924 -18.321 1.00 0.00 O ATOM 137 CB TYR A 10 10.719 -9.084 -19.712 1.00 0.00 C ATOM 138 CG TYR A 10 11.480 -9.337 -21.015 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.718 -8.760 -21.212 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.929 -10.141 -21.992 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.434 -8.998 -22.439 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.646 -10.379 -23.217 1.00 0.00 C ATOM 143 CZ TYR A 10 12.864 -9.795 -23.380 1.00 0.00 C ATOM 144 OH TYR A 10 13.540 -10.019 -24.539 1.00 0.00 O ATOM 0 H TYR A 10 11.377 -6.708 -20.967 1.00 0.00 H new ATOM 0 HA TYR A 10 9.044 -7.698 -19.421 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.395 -9.244 -18.872 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.919 -9.819 -19.622 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.149 -8.131 -20.447 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.960 -10.592 -21.837 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.403 -8.552 -22.607 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.227 -11.007 -23.989 1.00 0.00 H new ATOM 0 HH TYR A 10 13.012 -10.608 -25.117 1.00 0.00 H new ATOM 154 N TYR A 11 9.935 -6.364 -17.593 1.00 0.00 N ATOM 155 CA TYR A 11 10.420 -5.631 -16.436 1.00 0.00 C ATOM 156 C TYR A 11 9.835 -6.200 -15.142 1.00 0.00 C ATOM 157 O TYR A 11 8.929 -7.031 -15.179 1.00 0.00 O ATOM 158 CB TYR A 11 9.932 -4.193 -16.614 1.00 0.00 C ATOM 159 CG TYR A 11 11.023 -3.215 -17.058 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.131 -3.680 -17.734 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.896 -1.869 -16.783 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.159 -2.761 -18.153 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.923 -0.950 -17.200 1.00 0.00 C ATOM 164 CZ TYR A 11 13.002 -1.441 -17.865 1.00 0.00 C ATOM 165 OH TYR A 11 13.972 -0.572 -18.261 1.00 0.00 O ATOM 0 H TYR A 11 8.920 -6.385 -17.690 1.00 0.00 H new ATOM 0 HA TYR A 11 11.506 -5.698 -16.366 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.127 -4.182 -17.349 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.508 -3.845 -15.672 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.229 -4.734 -17.950 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.027 -1.505 -16.255 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.032 -3.112 -18.683 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.838 0.106 -16.989 1.00 0.00 H new ATOM 0 HH TYR A 11 13.727 0.337 -17.989 1.00 0.00 H new ATOM 175 N THR A 12 10.376 -5.727 -14.029 1.00 0.00 N ATOM 176 CA THR A 12 9.918 -6.178 -12.725 1.00 0.00 C ATOM 177 C THR A 12 9.095 -5.085 -12.041 1.00 0.00 C ATOM 178 O THR A 12 9.330 -3.898 -12.259 1.00 0.00 O ATOM 179 CB THR A 12 11.145 -6.609 -11.918 1.00 0.00 C ATOM 180 OG1 THR A 12 11.844 -5.392 -11.673 1.00 0.00 O ATOM 181 CG2 THR A 12 12.125 -7.445 -12.741 1.00 0.00 C ATOM 0 H THR A 12 11.126 -5.037 -14.003 1.00 0.00 H new ATOM 0 HA THR A 12 9.251 -7.035 -12.814 1.00 0.00 H new ATOM 0 HB THR A 12 10.824 -7.182 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.653 -5.579 -11.153 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.976 -7.724 -12.120 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.625 -8.346 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.473 -6.862 -13.594 1.00 0.00 H new ATOM 189 N LEU A 13 8.146 -5.526 -11.228 1.00 0.00 N ATOM 190 CA LEU A 13 7.284 -4.599 -10.513 1.00 0.00 C ATOM 191 C LEU A 13 8.127 -3.448 -9.962 1.00 0.00 C ATOM 192 O LEU A 13 7.689 -2.299 -9.959 1.00 0.00 O ATOM 193 CB LEU A 13 6.477 -5.337 -9.442 1.00 0.00 C ATOM 194 CG LEU A 13 5.046 -5.719 -9.827 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.254 -6.183 -8.602 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.349 -4.570 -10.558 1.00 0.00 C ATOM 0 H LEU A 13 7.955 -6.512 -11.048 1.00 0.00 H new ATOM 0 HA LEU A 13 6.550 -4.162 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.015 -6.246 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.438 -4.712 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 13 5.092 -6.560 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.241 -6.448 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.741 -7.053 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.215 -5.378 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.334 -4.868 -10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.314 -3.694 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.902 -4.328 -11.466 1.00 0.00 H new ATOM 208 N GLU A 14 9.323 -3.797 -9.509 1.00 0.00 N ATOM 209 CA GLU A 14 10.232 -2.806 -8.957 1.00 0.00 C ATOM 210 C GLU A 14 10.650 -1.808 -10.038 1.00 0.00 C ATOM 211 O GLU A 14 10.546 -0.598 -9.844 1.00 0.00 O ATOM 212 CB GLU A 14 11.455 -3.476 -8.327 1.00 0.00 C ATOM 213 CG GLU A 14 11.514 -3.205 -6.822 1.00 0.00 C ATOM 214 CD GLU A 14 11.116 -4.449 -6.025 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.926 -4.821 -6.111 1.00 0.00 O ATOM 216 OE2 GLU A 14 12.011 -5.001 -5.350 1.00 0.00 O ATOM 0 H GLU A 14 9.683 -4.751 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 14 9.710 -2.261 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.418 -4.551 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.363 -3.105 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.522 -2.897 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.848 -2.379 -6.571 1.00 0.00 H new ATOM 223 N GLU A 15 11.115 -2.352 -11.154 1.00 0.00 N ATOM 224 CA GLU A 15 11.548 -1.524 -12.266 1.00 0.00 C ATOM 225 C GLU A 15 10.452 -0.522 -12.641 1.00 0.00 C ATOM 226 O GLU A 15 10.744 0.620 -12.990 1.00 0.00 O ATOM 227 CB GLU A 15 11.941 -2.384 -13.469 1.00 0.00 C ATOM 228 CG GLU A 15 13.084 -3.335 -13.113 1.00 0.00 C ATOM 229 CD GLU A 15 14.383 -2.914 -13.803 1.00 0.00 C ATOM 230 OE1 GLU A 15 15.045 -2.002 -13.261 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.685 -3.514 -14.858 1.00 0.00 O ATOM 0 H GLU A 15 11.201 -3.356 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 15 12.432 -0.966 -11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.078 -2.958 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.242 -1.742 -14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.229 -3.346 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.823 -4.351 -13.410 1.00 0.00 H new ATOM 238 N ILE A 16 9.215 -0.988 -12.558 1.00 0.00 N ATOM 239 CA ILE A 16 8.075 -0.149 -12.884 1.00 0.00 C ATOM 240 C ILE A 16 7.808 0.814 -11.725 1.00 0.00 C ATOM 241 O ILE A 16 7.439 1.966 -11.943 1.00 0.00 O ATOM 242 CB ILE A 16 6.867 -1.009 -13.260 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.281 -2.169 -14.167 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.763 -0.157 -13.889 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.674 -3.488 -13.682 1.00 0.00 C ATOM 0 H ILE A 16 8.977 -1.937 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 16 8.289 0.460 -13.762 1.00 0.00 H new ATOM 0 HB ILE A 16 6.459 -1.443 -12.347 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.958 -1.970 -15.189 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.368 -2.250 -14.187 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.916 -0.792 -14.147 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.442 0.605 -13.179 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.144 0.324 -14.790 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.984 -4.296 -14.344 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.019 -3.696 -12.669 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.587 -3.412 -13.687 1.00 0.00 H new ATOM 257 N GLN A 17 8.005 0.304 -10.517 1.00 0.00 N ATOM 258 CA GLN A 17 7.790 1.104 -9.324 1.00 0.00 C ATOM 259 C GLN A 17 8.752 2.294 -9.301 1.00 0.00 C ATOM 260 O GLN A 17 8.394 3.378 -8.844 1.00 0.00 O ATOM 261 CB GLN A 17 7.940 0.255 -8.060 1.00 0.00 C ATOM 262 CG GLN A 17 6.920 0.668 -6.998 1.00 0.00 C ATOM 263 CD GLN A 17 7.616 1.243 -5.763 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.829 1.372 -5.705 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.785 1.579 -4.779 1.00 0.00 N ATOM 0 H GLN A 17 8.311 -0.653 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 17 6.770 1.487 -9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.807 -0.798 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.949 0.364 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.237 1.409 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.318 -0.195 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.780 1.445 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.153 1.970 -3.912 1.00 0.00 H new ATOM 274 N LYS A 18 9.955 2.052 -9.801 1.00 0.00 N ATOM 275 CA LYS A 18 10.970 3.089 -9.846 1.00 0.00 C ATOM 276 C LYS A 18 10.552 4.164 -10.852 1.00 0.00 C ATOM 277 O LYS A 18 10.894 5.335 -10.692 1.00 0.00 O ATOM 278 CB LYS A 18 12.345 2.482 -10.129 1.00 0.00 C ATOM 279 CG LYS A 18 12.688 1.398 -9.104 1.00 0.00 C ATOM 280 CD LYS A 18 13.318 2.007 -7.851 1.00 0.00 C ATOM 281 CE LYS A 18 14.664 2.661 -8.177 1.00 0.00 C ATOM 282 NZ LYS A 18 15.406 2.964 -6.932 1.00 0.00 N ATOM 0 H LYS A 18 10.249 1.151 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 18 11.058 3.578 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.359 2.056 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.104 3.264 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.785 0.851 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.376 0.678 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.643 2.749 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.459 1.233 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.255 1.997 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.502 3.578 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.316 3.407 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.847 3.615 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.576 2.083 -6.406 1.00 0.00 H new ATOM 296 N HIS A 19 9.822 3.725 -11.867 1.00 0.00 N ATOM 297 CA HIS A 19 9.356 4.635 -12.900 1.00 0.00 C ATOM 298 C HIS A 19 7.927 5.081 -12.583 1.00 0.00 C ATOM 299 O HIS A 19 6.968 4.388 -12.918 1.00 0.00 O ATOM 300 CB HIS A 19 9.484 3.996 -14.285 1.00 0.00 C ATOM 301 CG HIS A 19 10.887 4.023 -14.845 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.151 4.040 -16.204 1.00 0.00 N ATOM 303 CD2 HIS A 19 12.098 4.035 -14.217 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.464 4.061 -16.374 1.00 0.00 C ATOM 305 NE2 HIS A 19 13.050 4.057 -15.142 1.00 0.00 N ATOM 0 H HIS A 19 9.542 2.753 -11.996 1.00 0.00 H new ATOM 0 HA HIS A 19 9.984 5.526 -12.915 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.145 2.961 -14.230 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.818 4.513 -14.976 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.453 4.037 -16.948 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.256 4.028 -13.149 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.981 4.078 -17.322 1.00 0.00 H new ATOM 314 N ASN A 20 7.831 6.237 -11.944 1.00 0.00 N ATOM 315 CA ASN A 20 6.535 6.784 -11.578 1.00 0.00 C ATOM 316 C ASN A 20 6.615 8.312 -11.569 1.00 0.00 C ATOM 317 O ASN A 20 5.911 8.970 -10.804 1.00 0.00 O ATOM 318 CB ASN A 20 6.118 6.325 -10.179 1.00 0.00 C ATOM 319 CG ASN A 20 4.849 7.047 -9.722 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.617 7.263 -8.544 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.041 7.405 -10.716 1.00 0.00 N ATOM 0 H ASN A 20 8.629 6.810 -11.670 1.00 0.00 H new ATOM 0 HA ASN A 20 5.804 6.433 -12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.948 5.248 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.925 6.519 -9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.167 7.891 -10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.295 7.194 -11.681 1.00 0.00 H new ATOM 328 N ASN A 21 7.480 8.832 -12.428 1.00 0.00 N ATOM 329 CA ASN A 21 7.661 10.270 -12.530 1.00 0.00 C ATOM 330 C ASN A 21 7.032 10.769 -13.834 1.00 0.00 C ATOM 331 O ASN A 21 6.809 9.988 -14.756 1.00 0.00 O ATOM 332 CB ASN A 21 9.146 10.637 -12.550 1.00 0.00 C ATOM 333 CG ASN A 21 9.825 10.245 -11.236 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.578 10.814 -10.185 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.693 9.245 -11.354 1.00 0.00 N ATOM 0 H ASN A 21 8.063 8.283 -13.060 1.00 0.00 H new ATOM 0 HA ASN A 21 7.187 10.732 -11.664 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.638 10.133 -13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.257 11.709 -12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.199 8.910 -10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.853 8.813 -12.264 1.00 0.00 H new ATOM 342 N SER A 22 6.766 12.066 -13.865 1.00 0.00 N ATOM 343 CA SER A 22 6.168 12.679 -15.039 1.00 0.00 C ATOM 344 C SER A 22 7.134 12.592 -16.224 1.00 0.00 C ATOM 345 O SER A 22 6.767 12.912 -17.353 1.00 0.00 O ATOM 346 CB SER A 22 5.790 14.137 -14.769 1.00 0.00 C ATOM 347 OG SER A 22 6.885 15.021 -14.990 1.00 0.00 O ATOM 0 H SER A 22 6.953 12.710 -13.096 1.00 0.00 H new ATOM 0 HA SER A 22 5.255 12.135 -15.281 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.958 14.421 -15.414 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.445 14.238 -13.740 1.00 0.00 H new ATOM 0 HG SER A 22 6.604 15.942 -14.809 1.00 0.00 H new ATOM 353 N LYS A 23 8.349 12.156 -15.925 1.00 0.00 N ATOM 354 CA LYS A 23 9.370 12.023 -16.951 1.00 0.00 C ATOM 355 C LYS A 23 9.498 10.551 -17.347 1.00 0.00 C ATOM 356 O LYS A 23 9.969 10.238 -18.441 1.00 0.00 O ATOM 357 CB LYS A 23 10.684 12.651 -16.483 1.00 0.00 C ATOM 358 CG LYS A 23 11.284 11.861 -15.318 1.00 0.00 C ATOM 359 CD LYS A 23 11.795 12.801 -14.224 1.00 0.00 C ATOM 360 CE LYS A 23 13.314 12.685 -14.066 1.00 0.00 C ATOM 361 NZ LYS A 23 13.650 11.776 -12.949 1.00 0.00 N ATOM 0 H LYS A 23 8.650 11.890 -14.987 1.00 0.00 H new ATOM 0 HA LYS A 23 9.084 12.572 -17.848 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.393 12.680 -17.311 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.510 13.682 -16.176 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.532 11.190 -14.904 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.103 11.239 -15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.529 13.829 -14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.308 12.563 -13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.754 12.313 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.743 13.670 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.684 11.708 -12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.246 12.147 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.257 10.832 -13.139 1.00 0.00 H new ATOM 375 N SER A 24 9.070 9.686 -16.439 1.00 0.00 N ATOM 376 CA SER A 24 9.133 8.255 -16.681 1.00 0.00 C ATOM 377 C SER A 24 8.052 7.540 -15.869 1.00 0.00 C ATOM 378 O SER A 24 8.289 7.141 -14.728 1.00 0.00 O ATOM 379 CB SER A 24 10.514 7.696 -16.335 1.00 0.00 C ATOM 380 OG SER A 24 11.209 7.235 -17.489 1.00 0.00 O ATOM 0 H SER A 24 8.678 9.949 -15.535 1.00 0.00 H new ATOM 0 HA SER A 24 8.957 8.080 -17.742 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.104 8.468 -15.841 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.405 6.875 -15.626 1.00 0.00 H new ATOM 0 HG SER A 24 10.826 6.382 -17.782 1.00 0.00 H new ATOM 386 N THR A 25 6.888 7.398 -16.486 1.00 0.00 N ATOM 387 CA THR A 25 5.770 6.737 -15.834 1.00 0.00 C ATOM 388 C THR A 25 5.525 5.363 -16.459 1.00 0.00 C ATOM 389 O THR A 25 5.094 5.267 -17.606 1.00 0.00 O ATOM 390 CB THR A 25 4.558 7.668 -15.916 1.00 0.00 C ATOM 391 OG1 THR A 25 4.876 8.558 -16.983 1.00 0.00 O ATOM 392 CG2 THR A 25 4.437 8.580 -14.694 1.00 0.00 C ATOM 0 H THR A 25 6.695 7.730 -17.431 1.00 0.00 H new ATOM 0 HA THR A 25 5.981 6.547 -14.782 1.00 0.00 H new ATOM 0 HB THR A 25 3.650 7.074 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.054 8.973 -17.319 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.561 9.220 -14.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.333 7.972 -13.795 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.330 9.199 -14.612 1.00 0.00 H new ATOM 400 N TRP A 26 5.809 4.333 -15.675 1.00 0.00 N ATOM 401 CA TRP A 26 5.624 2.969 -16.138 1.00 0.00 C ATOM 402 C TRP A 26 4.590 2.298 -15.231 1.00 0.00 C ATOM 403 O TRP A 26 4.634 2.455 -14.012 1.00 0.00 O ATOM 404 CB TRP A 26 6.957 2.219 -16.181 1.00 0.00 C ATOM 405 CG TRP A 26 7.624 2.212 -17.558 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.727 1.193 -18.420 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.282 3.327 -18.199 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.398 1.566 -19.567 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.747 2.904 -19.428 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.477 4.646 -17.756 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.437 3.740 -20.314 1.00 0.00 C ATOM 412 CZ3 TRP A 26 9.168 5.469 -18.654 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.643 5.058 -19.894 1.00 0.00 C ATOM 0 H TRP A 26 6.166 4.416 -14.723 1.00 0.00 H new ATOM 0 HA TRP A 26 5.250 2.957 -17.162 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.639 2.670 -15.461 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.793 1.189 -15.863 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.334 0.203 -18.240 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.600 0.969 -20.369 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.122 4.997 -16.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.791 3.386 -21.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.344 6.494 -18.363 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.169 5.754 -20.531 1.00 0.00 H new ATOM 424 N LEU A 27 3.685 1.563 -15.861 1.00 0.00 N ATOM 425 CA LEU A 27 2.642 0.868 -15.126 1.00 0.00 C ATOM 426 C LEU A 27 2.347 -0.469 -15.809 1.00 0.00 C ATOM 427 O LEU A 27 2.860 -0.743 -16.894 1.00 0.00 O ATOM 428 CB LEU A 27 1.411 1.762 -14.969 1.00 0.00 C ATOM 429 CG LEU A 27 0.372 1.678 -16.089 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.049 1.622 -17.460 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.576 0.497 -15.869 1.00 0.00 C ATOM 0 H LEU A 27 3.653 1.434 -16.872 1.00 0.00 H new ATOM 0 HA LEU A 27 2.976 0.643 -14.113 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.922 1.511 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.746 2.796 -14.888 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.232 2.585 -16.065 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.289 1.563 -18.239 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.649 2.520 -17.606 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.692 0.743 -17.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.305 0.460 -16.679 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.004 -0.431 -15.853 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.096 0.620 -14.919 1.00 0.00 H new ATOM 443 N ILE A 28 1.524 -1.267 -15.145 1.00 0.00 N ATOM 444 CA ILE A 28 1.155 -2.569 -15.676 1.00 0.00 C ATOM 445 C ILE A 28 -0.333 -2.568 -16.027 1.00 0.00 C ATOM 446 O ILE A 28 -1.160 -2.096 -15.246 1.00 0.00 O ATOM 447 CB ILE A 28 1.556 -3.677 -14.701 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.565 -3.163 -13.670 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.077 -4.905 -15.449 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.992 -3.241 -14.216 1.00 0.00 C ATOM 0 H ILE A 28 1.102 -1.038 -14.245 1.00 0.00 H new ATOM 0 HA ILE A 28 1.700 -2.774 -16.597 1.00 0.00 H new ATOM 0 HB ILE A 28 0.666 -3.987 -14.154 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.328 -2.132 -13.406 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.489 -3.752 -12.756 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.355 -5.677 -14.732 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.298 -5.286 -16.109 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.950 -4.628 -16.040 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.690 -2.870 -13.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.234 -4.276 -14.456 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.071 -2.632 -15.117 1.00 0.00 H new ATOM 462 N LEU A 29 -0.632 -3.104 -17.201 1.00 0.00 N ATOM 463 CA LEU A 29 -2.007 -3.173 -17.665 1.00 0.00 C ATOM 464 C LEU A 29 -2.279 -4.563 -18.243 1.00 0.00 C ATOM 465 O LEU A 29 -1.652 -4.966 -19.221 1.00 0.00 O ATOM 466 CB LEU A 29 -2.299 -2.033 -18.645 1.00 0.00 C ATOM 467 CG LEU A 29 -3.682 -1.389 -18.531 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.131 -0.815 -19.876 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.701 -2.377 -17.961 1.00 0.00 C ATOM 0 H LEU A 29 0.055 -3.495 -17.845 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.696 -3.034 -16.832 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.546 -1.257 -18.504 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.179 -2.413 -19.660 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.615 -0.556 -17.831 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.117 -0.363 -19.768 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.419 -0.058 -20.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.178 -1.614 -20.615 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.676 -1.894 -17.890 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.773 -3.245 -18.617 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.382 -2.697 -16.969 1.00 0.00 H new ATOM 481 N HIS A 30 -3.213 -5.259 -17.610 1.00 0.00 N ATOM 482 CA HIS A 30 -3.574 -6.596 -18.048 1.00 0.00 C ATOM 483 C HIS A 30 -2.489 -7.586 -17.623 1.00 0.00 C ATOM 484 O HIS A 30 -2.791 -8.651 -17.085 1.00 0.00 O ATOM 485 CB HIS A 30 -3.842 -6.620 -19.555 1.00 0.00 C ATOM 486 CG HIS A 30 -4.664 -7.801 -20.013 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.230 -9.109 -19.895 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.898 -7.856 -20.592 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.167 -9.907 -20.381 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.201 -9.130 -20.814 1.00 0.00 N ATOM 0 H HIS A 30 -3.730 -4.922 -16.798 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.503 -6.901 -17.567 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.356 -5.701 -19.837 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.889 -6.627 -20.083 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.523 -7.008 -20.830 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.121 -10.985 -20.427 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.064 -9.471 -21.238 1.00 0.00 H new ATOM 499 N TYR A 31 -1.247 -7.202 -17.879 1.00 0.00 N ATOM 500 CA TYR A 31 -0.115 -8.042 -17.530 1.00 0.00 C ATOM 501 C TYR A 31 1.180 -7.498 -18.135 1.00 0.00 C ATOM 502 O TYR A 31 2.270 -7.945 -17.781 1.00 0.00 O ATOM 503 CB TYR A 31 -0.408 -9.417 -18.134 1.00 0.00 C ATOM 504 CG TYR A 31 -0.324 -10.569 -17.131 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.489 -10.459 -16.020 1.00 0.00 C ATOM 506 CD2 TYR A 31 -1.061 -11.718 -17.335 1.00 0.00 C ATOM 507 CE1 TYR A 31 0.569 -11.543 -15.075 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.980 -12.802 -16.390 1.00 0.00 C ATOM 509 CZ TYR A 31 -0.171 -12.662 -15.308 1.00 0.00 C ATOM 510 OH TYR A 31 -0.095 -13.686 -14.416 1.00 0.00 O ATOM 0 H TYR A 31 -1.000 -6.318 -18.325 1.00 0.00 H new ATOM 0 HA TYR A 31 0.015 -8.079 -16.448 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.405 -9.404 -18.574 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.296 -9.603 -18.945 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.065 -9.560 -15.860 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.698 -11.804 -18.203 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.201 -11.470 -14.202 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.550 -13.707 -16.539 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.676 -14.419 -14.709 1.00 0.00 H new ATOM 520 N LYS A 32 1.017 -6.541 -19.037 1.00 0.00 N ATOM 521 CA LYS A 32 2.160 -5.931 -19.695 1.00 0.00 C ATOM 522 C LYS A 32 2.444 -4.570 -19.056 1.00 0.00 C ATOM 523 O LYS A 32 1.681 -4.105 -18.211 1.00 0.00 O ATOM 524 CB LYS A 32 1.937 -5.866 -21.207 1.00 0.00 C ATOM 525 CG LYS A 32 1.505 -7.229 -21.757 1.00 0.00 C ATOM 526 CD LYS A 32 0.012 -7.237 -22.087 1.00 0.00 C ATOM 527 CE LYS A 32 -0.412 -8.586 -22.672 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.119 -8.396 -23.957 1.00 0.00 N ATOM 0 H LYS A 32 0.111 -6.173 -19.327 1.00 0.00 H new ATOM 0 HA LYS A 32 3.051 -6.542 -19.554 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.175 -5.120 -21.434 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.855 -5.545 -21.700 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.081 -7.463 -22.653 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.724 -8.007 -21.025 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.565 -7.030 -21.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.211 -6.442 -22.798 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.465 -9.215 -22.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.060 -9.107 -21.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.399 -9.322 -24.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.967 -7.814 -23.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.489 -7.919 -24.633 1.00 0.00 H new ATOM 542 N VAL A 33 3.545 -3.969 -19.485 1.00 0.00 N ATOM 543 CA VAL A 33 3.939 -2.671 -18.965 1.00 0.00 C ATOM 544 C VAL A 33 3.813 -1.623 -20.074 1.00 0.00 C ATOM 545 O VAL A 33 4.239 -1.855 -21.204 1.00 0.00 O ATOM 546 CB VAL A 33 5.349 -2.749 -18.375 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.422 -3.802 -17.268 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.384 -3.027 -19.466 1.00 0.00 C ATOM 0 H VAL A 33 4.176 -4.357 -20.186 1.00 0.00 H new ATOM 0 HA VAL A 33 3.278 -2.368 -18.153 1.00 0.00 H new ATOM 0 HB VAL A 33 5.582 -1.781 -17.932 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.434 -3.837 -16.866 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.724 -3.542 -16.472 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.160 -4.778 -17.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.378 -3.078 -19.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.155 -3.976 -19.951 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.358 -2.226 -20.205 1.00 0.00 H new ATOM 558 N TYR A 34 3.222 -0.494 -19.712 1.00 0.00 N ATOM 559 CA TYR A 34 3.035 0.590 -20.660 1.00 0.00 C ATOM 560 C TYR A 34 3.682 1.881 -20.156 1.00 0.00 C ATOM 561 O TYR A 34 3.820 2.081 -18.950 1.00 0.00 O ATOM 562 CB TYR A 34 1.523 0.801 -20.767 1.00 0.00 C ATOM 563 CG TYR A 34 0.735 -0.480 -21.048 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.750 -1.516 -20.136 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.007 -0.600 -22.215 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.008 -2.721 -20.401 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.735 -1.804 -22.480 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.697 -2.806 -21.560 1.00 0.00 C ATOM 569 OH TYR A 34 -1.398 -3.945 -21.810 1.00 0.00 O ATOM 0 H TYR A 34 2.866 -0.307 -18.775 1.00 0.00 H new ATOM 0 HA TYR A 34 3.493 0.343 -21.618 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.161 1.242 -19.838 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.322 1.521 -21.561 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.319 -1.423 -19.223 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.006 0.210 -22.929 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.011 -3.538 -19.695 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.309 -1.910 -23.389 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.563 -4.419 -20.968 1.00 0.00 H new ATOM 579 N ASP A 35 4.066 2.724 -21.103 1.00 0.00 N ATOM 580 CA ASP A 35 4.696 3.989 -20.771 1.00 0.00 C ATOM 581 C ASP A 35 3.634 5.090 -20.739 1.00 0.00 C ATOM 582 O ASP A 35 3.348 5.712 -21.761 1.00 0.00 O ATOM 583 CB ASP A 35 5.745 4.374 -21.815 1.00 0.00 C ATOM 584 CG ASP A 35 7.066 4.893 -21.244 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.089 5.167 -20.024 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.024 5.004 -22.039 1.00 0.00 O ATOM 0 H ASP A 35 3.952 2.555 -22.102 1.00 0.00 H new ATOM 0 HA ASP A 35 5.178 3.880 -19.800 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.953 3.504 -22.437 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.323 5.139 -22.467 1.00 0.00 H new ATOM 591 N LEU A 36 3.079 5.299 -19.554 1.00 0.00 N ATOM 592 CA LEU A 36 2.055 6.315 -19.376 1.00 0.00 C ATOM 593 C LEU A 36 2.623 7.679 -19.772 1.00 0.00 C ATOM 594 O LEU A 36 1.871 8.624 -20.005 1.00 0.00 O ATOM 595 CB LEU A 36 1.498 6.270 -17.952 1.00 0.00 C ATOM 596 CG LEU A 36 0.836 4.956 -17.531 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.114 5.110 -16.192 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.096 4.435 -18.628 1.00 0.00 C ATOM 0 H LEU A 36 3.319 4.782 -18.708 1.00 0.00 H new ATOM 0 HA LEU A 36 1.206 6.120 -20.031 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.311 6.482 -17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.768 7.072 -17.843 1.00 0.00 H new ATOM 0 HG LEU A 36 1.618 4.210 -17.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.348 4.162 -15.916 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.830 5.402 -15.424 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.656 5.876 -16.280 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.553 3.500 -18.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.875 5.172 -18.824 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.476 4.261 -19.539 1.00 0.00 H new ATOM 610 N THR A 37 3.944 7.741 -19.833 1.00 0.00 N ATOM 611 CA THR A 37 4.621 8.974 -20.197 1.00 0.00 C ATOM 612 C THR A 37 3.968 9.596 -21.433 1.00 0.00 C ATOM 613 O THR A 37 4.081 10.800 -21.658 1.00 0.00 O ATOM 614 CB THR A 37 6.107 8.659 -20.388 1.00 0.00 C ATOM 615 OG1 THR A 37 6.572 8.369 -19.072 1.00 0.00 O ATOM 616 CG2 THR A 37 6.915 9.888 -20.805 1.00 0.00 C ATOM 0 H THR A 37 4.565 6.956 -19.636 1.00 0.00 H new ATOM 0 HA THR A 37 4.531 9.722 -19.409 1.00 0.00 H new ATOM 0 HB THR A 37 6.219 7.877 -21.139 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.953 8.750 -18.415 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.962 9.611 -20.927 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.529 10.274 -21.749 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.831 10.657 -20.037 1.00 0.00 H new ATOM 624 N LYS A 38 3.300 8.748 -22.199 1.00 0.00 N ATOM 625 CA LYS A 38 2.628 9.200 -23.407 1.00 0.00 C ATOM 626 C LYS A 38 1.161 9.491 -23.090 1.00 0.00 C ATOM 627 O LYS A 38 0.575 10.420 -23.644 1.00 0.00 O ATOM 628 CB LYS A 38 2.826 8.191 -24.539 1.00 0.00 C ATOM 629 CG LYS A 38 4.279 8.177 -25.015 1.00 0.00 C ATOM 630 CD LYS A 38 4.462 7.217 -26.192 1.00 0.00 C ATOM 631 CE LYS A 38 5.324 7.849 -27.288 1.00 0.00 C ATOM 632 NZ LYS A 38 4.652 7.744 -28.602 1.00 0.00 N ATOM 0 H LYS A 38 3.209 7.750 -22.008 1.00 0.00 H new ATOM 0 HA LYS A 38 3.068 10.132 -23.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.542 7.196 -24.197 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.169 8.441 -25.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.578 9.182 -25.312 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.931 7.880 -24.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.928 6.295 -25.845 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.488 6.948 -26.601 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.512 8.896 -27.052 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.293 7.352 -27.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.251 8.178 -29.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.495 6.742 -28.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.738 8.238 -28.565 1.00 0.00 H new ATOM 646 N PHE A 39 0.607 8.679 -22.200 1.00 0.00 N ATOM 647 CA PHE A 39 -0.781 8.837 -21.804 1.00 0.00 C ATOM 648 C PHE A 39 -0.958 10.062 -20.904 1.00 0.00 C ATOM 649 O PHE A 39 -2.040 10.643 -20.845 1.00 0.00 O ATOM 650 CB PHE A 39 -1.168 7.582 -21.020 1.00 0.00 C ATOM 651 CG PHE A 39 -1.714 6.448 -21.889 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.827 6.644 -22.643 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.083 5.243 -21.908 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.334 5.592 -23.451 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.590 4.191 -22.716 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.705 4.386 -23.470 1.00 0.00 C ATOM 0 H PHE A 39 1.096 7.910 -21.742 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.407 8.974 -22.686 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.294 7.221 -20.477 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.918 7.848 -20.275 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.327 7.601 -22.628 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.198 5.087 -21.309 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.219 5.749 -24.050 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.089 3.234 -22.732 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.090 3.585 -24.083 1.00 0.00 H new ATOM 666 N LEU A 40 0.123 10.418 -20.224 1.00 0.00 N ATOM 667 CA LEU A 40 0.101 11.562 -19.330 1.00 0.00 C ATOM 668 C LEU A 40 -0.622 12.725 -20.014 1.00 0.00 C ATOM 669 O LEU A 40 -1.515 13.336 -19.431 1.00 0.00 O ATOM 670 CB LEU A 40 1.516 11.906 -18.864 1.00 0.00 C ATOM 671 CG LEU A 40 2.081 11.039 -17.737 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.334 11.674 -17.130 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.014 10.752 -16.679 1.00 0.00 C ATOM 0 H LEU A 40 1.019 9.934 -20.275 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.459 11.327 -18.425 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.186 11.835 -19.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.526 12.945 -18.536 1.00 0.00 H new ATOM 0 HG LEU A 40 2.380 10.081 -18.161 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.714 11.037 -16.332 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.096 11.784 -17.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.085 12.654 -16.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.442 10.134 -15.889 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.661 11.692 -16.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.178 10.226 -17.139 1.00 0.00 H new ATOM 685 N GLU A 41 -0.206 12.996 -21.242 1.00 0.00 N ATOM 686 CA GLU A 41 -0.801 14.075 -22.013 1.00 0.00 C ATOM 687 C GLU A 41 -2.271 13.769 -22.306 1.00 0.00 C ATOM 688 O GLU A 41 -3.151 14.565 -21.981 1.00 0.00 O ATOM 689 CB GLU A 41 -0.024 14.319 -23.307 1.00 0.00 C ATOM 690 CG GLU A 41 0.577 15.725 -23.331 1.00 0.00 C ATOM 691 CD GLU A 41 0.396 16.377 -24.703 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.257 15.612 -25.681 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.396 17.626 -24.742 1.00 0.00 O ATOM 0 H GLU A 41 0.536 12.487 -21.723 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.750 14.989 -21.421 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.770 13.579 -23.403 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.686 14.189 -24.163 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.102 16.340 -22.567 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.638 15.675 -23.086 1.00 0.00 H new ATOM 700 N GLU A 42 -2.492 12.614 -22.916 1.00 0.00 N ATOM 701 CA GLU A 42 -3.842 12.194 -23.256 1.00 0.00 C ATOM 702 C GLU A 42 -4.584 11.730 -22.002 1.00 0.00 C ATOM 703 O GLU A 42 -4.106 11.922 -20.886 1.00 0.00 O ATOM 704 CB GLU A 42 -3.821 11.095 -24.320 1.00 0.00 C ATOM 705 CG GLU A 42 -4.164 11.660 -25.699 1.00 0.00 C ATOM 706 CD GLU A 42 -5.488 11.089 -26.211 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.535 11.658 -25.833 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.423 10.097 -26.969 1.00 0.00 O ATOM 0 H GLU A 42 -1.760 11.956 -23.184 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.375 13.048 -23.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.835 10.630 -24.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.534 10.314 -24.055 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.229 12.747 -25.645 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.365 11.423 -26.402 1.00 0.00 H new ATOM 715 N HIS A 43 -5.743 11.128 -22.229 1.00 0.00 N ATOM 716 CA HIS A 43 -6.557 10.635 -21.131 1.00 0.00 C ATOM 717 C HIS A 43 -7.367 11.788 -20.533 1.00 0.00 C ATOM 718 O HIS A 43 -6.835 12.876 -20.315 1.00 0.00 O ATOM 719 CB HIS A 43 -5.692 9.918 -20.092 1.00 0.00 C ATOM 720 CG HIS A 43 -6.475 9.055 -19.131 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.397 9.572 -18.239 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.464 7.705 -18.935 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.911 8.571 -17.540 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.332 7.415 -17.973 1.00 0.00 N ATOM 0 H HIS A 43 -6.137 10.971 -23.157 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.265 9.894 -21.504 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.961 9.297 -20.609 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.133 10.662 -19.524 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.640 10.557 -18.137 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.853 6.993 -19.471 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.657 8.656 -16.764 1.00 0.00 H new ATOM 733 N PRO A 44 -8.671 11.503 -20.280 1.00 0.00 N ATOM 734 CA PRO A 44 -9.559 12.504 -19.713 1.00 0.00 C ATOM 735 C PRO A 44 -9.279 12.705 -18.223 1.00 0.00 C ATOM 736 O PRO A 44 -9.044 13.828 -17.778 1.00 0.00 O ATOM 737 CB PRO A 44 -10.962 11.987 -19.988 1.00 0.00 C ATOM 738 CG PRO A 44 -10.809 10.503 -20.281 1.00 0.00 C ATOM 739 CD PRO A 44 -9.335 10.225 -20.525 1.00 0.00 C ATOM 0 HA PRO A 44 -9.418 13.490 -20.156 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.614 12.151 -19.130 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.412 12.508 -20.833 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.176 9.909 -19.444 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.400 10.223 -21.153 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.962 9.450 -19.855 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.161 9.877 -21.543 1.00 0.00 H new ATOM 747 N GLY A 45 -9.308 11.599 -17.493 1.00 0.00 N ATOM 748 CA GLY A 45 -9.059 11.640 -16.061 1.00 0.00 C ATOM 749 C GLY A 45 -7.980 12.670 -15.723 1.00 0.00 C ATOM 750 O GLY A 45 -8.192 13.544 -14.882 1.00 0.00 O ATOM 0 H GLY A 45 -9.500 10.669 -17.866 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.981 11.887 -15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.748 10.655 -15.714 1.00 0.00 H new ATOM 754 N GLY A 46 -6.846 12.533 -16.392 1.00 0.00 N ATOM 755 CA GLY A 46 -5.732 13.440 -16.172 1.00 0.00 C ATOM 756 C GLY A 46 -4.421 12.669 -16.002 1.00 0.00 C ATOM 757 O GLY A 46 -4.432 11.487 -15.663 1.00 0.00 O ATOM 0 H GLY A 46 -6.674 11.807 -17.088 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.647 14.128 -17.013 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.920 14.044 -15.284 1.00 0.00 H new ATOM 761 N GLU A 47 -3.323 13.371 -16.245 1.00 0.00 N ATOM 762 CA GLU A 47 -2.008 12.766 -16.123 1.00 0.00 C ATOM 763 C GLU A 47 -1.967 11.823 -14.919 1.00 0.00 C ATOM 764 O GLU A 47 -1.576 10.663 -15.047 1.00 0.00 O ATOM 765 CB GLU A 47 -0.921 13.837 -16.018 1.00 0.00 C ATOM 766 CG GLU A 47 -0.903 14.724 -17.264 1.00 0.00 C ATOM 767 CD GLU A 47 -0.479 16.152 -16.915 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.296 16.846 -16.273 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.654 16.518 -17.298 1.00 0.00 O ATOM 0 H GLU A 47 -3.318 14.352 -16.525 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.812 12.183 -17.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.094 14.450 -15.133 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.052 13.362 -15.892 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.217 14.307 -18.001 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.893 14.736 -17.720 1.00 0.00 H new ATOM 776 N GLU A 48 -2.373 12.356 -13.776 1.00 0.00 N ATOM 777 CA GLU A 48 -2.388 11.576 -12.550 1.00 0.00 C ATOM 778 C GLU A 48 -3.063 10.225 -12.788 1.00 0.00 C ATOM 779 O GLU A 48 -2.533 9.184 -12.401 1.00 0.00 O ATOM 780 CB GLU A 48 -3.078 12.343 -11.420 1.00 0.00 C ATOM 781 CG GLU A 48 -2.253 12.284 -10.133 1.00 0.00 C ATOM 782 CD GLU A 48 -2.311 13.615 -9.382 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.934 14.634 -10.003 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.730 13.587 -8.206 1.00 0.00 O ATOM 0 H GLU A 48 -2.694 13.319 -13.673 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.357 11.396 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.222 13.382 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.067 11.922 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.628 11.485 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.217 12.042 -10.372 1.00 0.00 H new ATOM 791 N VAL A 49 -4.225 10.284 -13.423 1.00 0.00 N ATOM 792 CA VAL A 49 -4.980 9.078 -13.717 1.00 0.00 C ATOM 793 C VAL A 49 -4.012 7.963 -14.122 1.00 0.00 C ATOM 794 O VAL A 49 -4.286 6.786 -13.891 1.00 0.00 O ATOM 795 CB VAL A 49 -6.036 9.369 -14.785 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.432 9.300 -16.189 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.227 8.417 -14.653 1.00 0.00 C ATOM 0 H VAL A 49 -4.662 11.149 -13.742 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.517 8.738 -12.832 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.399 10.384 -14.627 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.205 9.511 -16.928 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.634 10.037 -16.278 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.027 8.303 -16.362 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.963 8.646 -15.424 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.886 7.389 -14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.682 8.538 -13.670 1.00 0.00 H new ATOM 807 N LEU A 50 -2.903 8.372 -14.719 1.00 0.00 N ATOM 808 CA LEU A 50 -1.895 7.423 -15.159 1.00 0.00 C ATOM 809 C LEU A 50 -0.668 7.534 -14.251 1.00 0.00 C ATOM 810 O LEU A 50 -0.079 6.523 -13.873 1.00 0.00 O ATOM 811 CB LEU A 50 -1.583 7.621 -16.643 1.00 0.00 C ATOM 812 CG LEU A 50 -2.793 7.734 -17.574 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.798 9.078 -18.306 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.848 6.552 -18.544 1.00 0.00 C ATOM 0 H LEU A 50 -2.680 9.349 -14.909 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.267 6.402 -15.070 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.982 8.524 -16.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.968 6.786 -16.979 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.698 7.696 -16.967 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.668 9.132 -18.961 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.840 9.888 -17.578 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.890 9.172 -18.901 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.716 6.655 -19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.941 6.535 -19.149 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.926 5.622 -17.980 1.00 0.00 H new ATOM 826 N ARG A 51 -0.319 8.771 -13.930 1.00 0.00 N ATOM 827 CA ARG A 51 0.828 9.026 -13.074 1.00 0.00 C ATOM 828 C ARG A 51 0.603 8.418 -11.689 1.00 0.00 C ATOM 829 O ARG A 51 1.470 7.719 -11.167 1.00 0.00 O ATOM 830 CB ARG A 51 1.082 10.529 -12.929 1.00 0.00 C ATOM 831 CG ARG A 51 2.579 10.824 -12.829 1.00 0.00 C ATOM 832 CD ARG A 51 3.042 10.827 -11.371 1.00 0.00 C ATOM 833 NE ARG A 51 3.795 12.069 -11.082 1.00 0.00 N ATOM 834 CZ ARG A 51 3.962 12.575 -9.853 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.432 11.951 -8.792 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.661 13.707 -9.684 1.00 0.00 N ATOM 0 H ARG A 51 -0.810 9.607 -14.247 1.00 0.00 H new ATOM 0 HA ARG A 51 1.699 8.564 -13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.660 11.057 -13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.574 10.903 -12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.139 10.076 -13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.794 11.791 -13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.181 10.751 -10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.671 9.958 -11.178 1.00 0.00 H new ATOM 0 HE ARG A 51 4.212 12.570 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.901 11.090 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.560 12.337 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.065 14.182 -10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.788 14.093 -8.748 1.00 0.00 H new ATOM 850 N GLU A 52 -0.566 8.704 -11.135 1.00 0.00 N ATOM 851 CA GLU A 52 -0.916 8.194 -9.820 1.00 0.00 C ATOM 852 C GLU A 52 -0.823 6.666 -9.802 1.00 0.00 C ATOM 853 O GLU A 52 -0.595 6.066 -8.752 1.00 0.00 O ATOM 854 CB GLU A 52 -2.310 8.664 -9.403 1.00 0.00 C ATOM 855 CG GLU A 52 -2.247 9.495 -8.119 1.00 0.00 C ATOM 856 CD GLU A 52 -2.155 8.593 -6.885 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.188 7.966 -6.564 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.056 8.553 -6.293 1.00 0.00 O ATOM 0 H GLU A 52 -1.283 9.282 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.204 8.590 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.752 9.257 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.958 7.801 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.383 10.159 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.132 10.127 -8.047 1.00 0.00 H new ATOM 865 N GLN A 53 -1.006 6.081 -10.977 1.00 0.00 N ATOM 866 CA GLN A 53 -0.946 4.635 -11.109 1.00 0.00 C ATOM 867 C GLN A 53 0.473 4.193 -11.476 1.00 0.00 C ATOM 868 O GLN A 53 0.892 3.092 -11.128 1.00 0.00 O ATOM 869 CB GLN A 53 -1.960 4.137 -12.143 1.00 0.00 C ATOM 870 CG GLN A 53 -1.617 4.655 -13.541 1.00 0.00 C ATOM 871 CD GLN A 53 -2.498 3.994 -14.602 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.175 2.954 -15.154 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.625 4.653 -14.856 1.00 0.00 N ATOM 0 H GLN A 53 -1.196 6.582 -11.845 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.207 4.191 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.974 3.047 -12.148 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.961 4.467 -11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.750 5.736 -13.575 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.568 4.456 -13.759 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.833 5.518 -14.357 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.281 4.293 -15.549 1.00 0.00 H new ATOM 882 N ALA A 54 1.172 5.077 -12.173 1.00 0.00 N ATOM 883 CA ALA A 54 2.534 4.792 -12.590 1.00 0.00 C ATOM 884 C ALA A 54 3.355 4.360 -11.373 1.00 0.00 C ATOM 885 O ALA A 54 3.360 5.041 -10.349 1.00 0.00 O ATOM 886 CB ALA A 54 3.123 6.021 -13.285 1.00 0.00 C ATOM 0 H ALA A 54 0.820 5.991 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 54 2.552 3.972 -13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.145 5.807 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.520 6.269 -14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.124 6.864 -12.594 1.00 0.00 H new ATOM 892 N GLY A 55 4.029 3.230 -11.526 1.00 0.00 N ATOM 893 CA GLY A 55 4.853 2.699 -10.453 1.00 0.00 C ATOM 894 C GLY A 55 4.356 1.321 -10.011 1.00 0.00 C ATOM 895 O GLY A 55 4.740 0.829 -8.951 1.00 0.00 O ATOM 0 H GLY A 55 4.022 2.667 -12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.888 2.626 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.838 3.384 -9.605 1.00 0.00 H new ATOM 899 N GLY A 56 3.509 0.737 -10.847 1.00 0.00 N ATOM 900 CA GLY A 56 2.955 -0.574 -10.555 1.00 0.00 C ATOM 901 C GLY A 56 1.783 -0.893 -11.485 1.00 0.00 C ATOM 902 O GLY A 56 1.451 -0.101 -12.366 1.00 0.00 O ATOM 0 H GLY A 56 3.193 1.148 -11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.729 -1.333 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.621 -0.609 -9.518 1.00 0.00 H new ATOM 906 N ASP A 57 1.188 -2.055 -11.258 1.00 0.00 N ATOM 907 CA ASP A 57 0.060 -2.490 -12.065 1.00 0.00 C ATOM 908 C ASP A 57 -1.130 -1.561 -11.810 1.00 0.00 C ATOM 909 O ASP A 57 -1.424 -1.223 -10.666 1.00 0.00 O ATOM 910 CB ASP A 57 -0.363 -3.913 -11.698 1.00 0.00 C ATOM 911 CG ASP A 57 -1.868 -4.182 -11.786 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.606 -3.528 -11.019 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.243 -5.037 -12.615 1.00 0.00 O ATOM 0 H ASP A 57 1.466 -2.709 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 57 0.362 -2.463 -13.112 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.155 -4.611 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.030 -4.125 -10.682 1.00 0.00 H new ATOM 918 N ALA A 58 -1.781 -1.176 -12.898 1.00 0.00 N ATOM 919 CA ALA A 58 -2.933 -0.294 -12.808 1.00 0.00 C ATOM 920 C ALA A 58 -4.186 -1.054 -13.246 1.00 0.00 C ATOM 921 O ALA A 58 -5.305 -0.587 -13.032 1.00 0.00 O ATOM 922 CB ALA A 58 -2.684 0.957 -13.651 1.00 0.00 C ATOM 0 H ALA A 58 -1.533 -1.458 -13.846 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.089 0.032 -11.780 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.548 1.619 -13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.800 1.476 -13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.527 0.670 -14.691 1.00 0.00 H new ATOM 928 N THR A 59 -3.958 -2.211 -13.849 1.00 0.00 N ATOM 929 CA THR A 59 -5.057 -3.039 -14.317 1.00 0.00 C ATOM 930 C THR A 59 -6.120 -3.184 -13.226 1.00 0.00 C ATOM 931 O THR A 59 -7.297 -2.912 -13.461 1.00 0.00 O ATOM 932 CB THR A 59 -4.475 -4.376 -14.780 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.179 -4.663 -15.986 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.849 -5.531 -13.848 1.00 0.00 C ATOM 0 H THR A 59 -3.029 -2.595 -14.024 1.00 0.00 H new ATOM 0 HA THR A 59 -5.567 -2.578 -15.163 1.00 0.00 H new ATOM 0 HB THR A 59 -3.390 -4.296 -14.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.059 -4.233 -15.961 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.411 -6.457 -14.222 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.469 -5.328 -12.847 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.934 -5.632 -13.811 1.00 0.00 H new ATOM 942 N GLU A 60 -5.667 -3.610 -12.057 1.00 0.00 N ATOM 943 CA GLU A 60 -6.565 -3.793 -10.929 1.00 0.00 C ATOM 944 C GLU A 60 -7.559 -2.632 -10.847 1.00 0.00 C ATOM 945 O GLU A 60 -8.677 -2.799 -10.363 1.00 0.00 O ATOM 946 CB GLU A 60 -5.782 -3.937 -9.623 1.00 0.00 C ATOM 947 CG GLU A 60 -4.768 -2.804 -9.463 1.00 0.00 C ATOM 948 CD GLU A 60 -3.566 -3.256 -8.631 1.00 0.00 C ATOM 949 OE1 GLU A 60 -3.505 -4.469 -8.333 1.00 0.00 O ATOM 950 OE2 GLU A 60 -2.735 -2.379 -8.311 1.00 0.00 O ATOM 0 H GLU A 60 -4.690 -3.834 -11.866 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.126 -4.715 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.472 -3.934 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.265 -4.897 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.431 -2.472 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.245 -1.949 -8.984 1.00 0.00 H new ATOM 957 N ASN A 61 -7.114 -1.479 -11.328 1.00 0.00 N ATOM 958 CA ASN A 61 -7.950 -0.292 -11.315 1.00 0.00 C ATOM 959 C ASN A 61 -8.687 -0.178 -12.651 1.00 0.00 C ATOM 960 O ASN A 61 -9.913 -0.076 -12.681 1.00 0.00 O ATOM 961 CB ASN A 61 -7.108 0.972 -11.132 1.00 0.00 C ATOM 962 CG ASN A 61 -7.635 1.817 -9.969 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.007 1.949 -8.931 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.817 2.380 -10.201 1.00 0.00 N ATOM 0 H ASN A 61 -6.186 -1.343 -11.729 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.651 -0.383 -10.485 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.069 0.698 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.123 1.560 -12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.253 2.964 -9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.288 2.228 -11.093 1.00 0.00 H new ATOM 971 N PHE A 62 -7.911 -0.201 -13.723 1.00 0.00 N ATOM 972 CA PHE A 62 -8.474 -0.100 -15.059 1.00 0.00 C ATOM 973 C PHE A 62 -9.682 -1.028 -15.214 1.00 0.00 C ATOM 974 O PHE A 62 -10.566 -0.771 -16.030 1.00 0.00 O ATOM 975 CB PHE A 62 -7.383 -0.536 -16.040 1.00 0.00 C ATOM 976 CG PHE A 62 -7.800 -1.677 -16.968 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.677 -2.969 -16.555 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.292 -1.404 -18.205 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.064 -4.029 -17.417 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.678 -2.464 -19.067 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.556 -3.755 -18.654 1.00 0.00 C ATOM 0 H PHE A 62 -6.895 -0.288 -13.694 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.805 0.921 -15.247 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.089 0.322 -16.645 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.503 -0.844 -15.475 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.285 -3.187 -15.572 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.389 -0.380 -18.533 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.967 -5.054 -17.089 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.068 -2.246 -20.050 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.850 -4.562 -19.309 1.00 0.00 H new ATOM 991 N GLU A 63 -9.680 -2.087 -14.419 1.00 0.00 N ATOM 992 CA GLU A 63 -10.764 -3.054 -14.459 1.00 0.00 C ATOM 993 C GLU A 63 -11.977 -2.524 -13.692 1.00 0.00 C ATOM 994 O GLU A 63 -13.111 -2.655 -14.149 1.00 0.00 O ATOM 995 CB GLU A 63 -10.314 -4.405 -13.903 1.00 0.00 C ATOM 996 CG GLU A 63 -9.894 -5.351 -15.031 1.00 0.00 C ATOM 997 CD GLU A 63 -10.921 -6.468 -15.222 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.887 -7.415 -14.406 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.716 -6.351 -16.178 1.00 0.00 O ATOM 0 H GLU A 63 -8.945 -2.297 -13.743 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.052 -3.203 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.480 -4.260 -13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.125 -4.854 -13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.785 -4.790 -15.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.920 -5.783 -14.804 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.696 -1.934 -12.539 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.750 -1.383 -11.704 1.00 0.00 C ATOM 1008 C ASP A 64 -13.472 -0.272 -12.469 1.00 0.00 C ATOM 1009 O ASP A 64 -14.636 0.019 -12.197 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.177 -0.778 -10.421 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.969 -1.088 -9.149 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.614 -2.158 -9.130 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.909 -0.249 -8.225 1.00 0.00 O ATOM 0 H ASP A 64 -10.754 -1.826 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.434 -2.192 -11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.156 -1.138 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.121 0.304 -10.541 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.751 0.319 -13.410 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.309 1.391 -14.217 1.00 0.00 C ATOM 1020 C VAL A 65 -13.829 0.815 -15.535 1.00 0.00 C ATOM 1021 O VAL A 65 -14.235 1.559 -16.426 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.265 2.492 -14.417 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.934 2.112 -13.765 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.077 2.806 -15.902 1.00 0.00 C ATOM 0 H VAL A 65 -11.785 0.076 -13.632 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.156 1.851 -13.707 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.632 3.394 -13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.210 2.912 -13.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.082 1.962 -12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.560 1.191 -14.212 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.330 3.592 -16.016 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.743 1.909 -16.424 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.024 3.141 -16.326 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.803 -0.508 -15.618 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.267 -1.193 -16.811 1.00 0.00 C ATOM 1036 C GLY A 66 -13.965 -0.373 -18.067 1.00 0.00 C ATOM 1037 O GLY A 66 -14.879 0.081 -18.752 1.00 0.00 O ATOM 0 H GLY A 66 -13.467 -1.123 -14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.786 -2.168 -16.885 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.340 -1.371 -16.738 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.676 -0.207 -18.330 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.241 0.550 -19.492 1.00 0.00 C ATOM 1043 C HIS A 67 -12.816 -0.081 -20.761 1.00 0.00 C ATOM 1044 O HIS A 67 -13.449 -1.135 -20.703 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.715 0.665 -19.525 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.186 1.962 -18.964 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -10.923 3.134 -18.959 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -8.985 2.261 -18.390 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -10.187 4.088 -18.404 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.988 3.545 -18.053 1.00 0.00 N ATOM 0 H HIS A 67 -11.920 -0.584 -17.759 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.623 1.569 -19.430 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.286 -0.164 -18.963 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.375 0.561 -20.555 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.870 3.245 -19.320 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.170 1.570 -18.236 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.486 5.115 -18.256 1.00 0.00 H new ATOM 1059 N SER A 68 -12.575 0.589 -21.879 1.00 0.00 N ATOM 1060 CA SER A 68 -13.061 0.107 -23.160 1.00 0.00 C ATOM 1061 C SER A 68 -11.939 -0.620 -23.904 1.00 0.00 C ATOM 1062 O SER A 68 -10.764 -0.295 -23.735 1.00 0.00 O ATOM 1063 CB SER A 68 -13.605 1.256 -24.011 1.00 0.00 C ATOM 1064 OG SER A 68 -12.573 1.923 -24.731 1.00 0.00 O ATOM 0 H SER A 68 -12.049 1.462 -21.924 1.00 0.00 H new ATOM 0 HA SER A 68 -13.878 -0.590 -22.976 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.344 0.869 -24.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.119 1.971 -23.369 1.00 0.00 H new ATOM 0 HG SER A 68 -12.345 2.761 -24.276 1.00 0.00 H new ATOM 1070 N THR A 69 -12.340 -1.589 -24.714 1.00 0.00 N ATOM 1071 CA THR A 69 -11.384 -2.363 -25.486 1.00 0.00 C ATOM 1072 C THR A 69 -10.503 -1.438 -26.328 1.00 0.00 C ATOM 1073 O THR A 69 -9.418 -1.828 -26.757 1.00 0.00 O ATOM 1074 CB THR A 69 -12.163 -3.383 -26.318 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.349 -4.485 -25.433 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.331 -3.963 -27.464 1.00 0.00 C ATOM 0 H THR A 69 -13.315 -1.855 -24.852 1.00 0.00 H new ATOM 0 HA THR A 69 -10.700 -2.907 -24.835 1.00 0.00 H new ATOM 0 HB THR A 69 -13.059 -2.912 -26.722 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.848 -5.193 -25.892 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.931 -4.681 -28.022 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.016 -3.158 -28.129 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.452 -4.463 -27.058 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.002 -0.230 -26.539 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.276 0.755 -27.323 1.00 0.00 C ATOM 1086 C ASP A 70 -9.120 1.311 -26.489 1.00 0.00 C ATOM 1087 O ASP A 70 -7.971 1.307 -26.931 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.181 1.925 -27.715 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.543 2.945 -28.661 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.857 2.496 -29.603 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.759 4.153 -28.420 1.00 0.00 O ATOM 0 H ASP A 70 -11.902 0.090 -26.180 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.911 0.265 -28.225 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.080 1.528 -28.186 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.497 2.441 -26.808 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.464 1.776 -25.297 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.469 2.336 -24.397 1.00 0.00 C ATOM 1098 C ALA A 71 -7.315 1.343 -24.239 1.00 0.00 C ATOM 1099 O ALA A 71 -6.148 1.727 -24.291 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.126 2.681 -23.059 1.00 0.00 C ATOM 0 H ALA A 71 -10.417 1.777 -24.933 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.058 3.259 -24.806 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.380 3.101 -22.385 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.920 3.410 -23.221 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.547 1.778 -22.617 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.681 0.084 -24.050 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.692 -0.968 -23.884 1.00 0.00 C ATOM 1108 C ARG A 72 -5.869 -1.127 -25.164 1.00 0.00 C ATOM 1109 O ARG A 72 -4.642 -1.210 -25.111 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.357 -2.302 -23.544 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.383 -2.133 -22.421 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.045 -3.470 -22.078 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.446 -3.247 -21.658 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.276 -4.221 -21.262 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.850 -5.491 -21.229 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.532 -3.926 -20.899 1.00 0.00 N ATOM 0 H ARG A 72 -8.650 -0.232 -24.008 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.039 -0.682 -23.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.846 -2.705 -24.431 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.598 -3.024 -23.243 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.895 -1.727 -21.535 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.144 -1.413 -22.724 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.017 -4.132 -22.944 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.492 -3.965 -21.280 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.802 -2.291 -21.671 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.894 -5.716 -21.505 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.482 -6.233 -20.928 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.856 -2.959 -20.924 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.163 -4.668 -20.598 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.576 -1.167 -26.284 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.926 -1.315 -27.575 1.00 0.00 C ATOM 1132 C GLU A 73 -4.937 -0.172 -27.807 1.00 0.00 C ATOM 1133 O GLU A 73 -3.827 -0.394 -28.288 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.957 -1.384 -28.703 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.775 -2.656 -29.535 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.899 -2.804 -30.563 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.770 -2.178 -31.638 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.859 -3.540 -30.250 1.00 0.00 O ATOM 0 H GLU A 73 -7.593 -1.099 -26.324 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.372 -2.254 -27.574 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.963 -1.360 -28.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.859 -0.508 -29.345 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.812 -2.627 -30.045 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.761 -3.526 -28.878 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.374 1.028 -27.452 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.541 2.208 -27.615 1.00 0.00 C ATOM 1147 C LEU A 74 -3.260 2.038 -26.796 1.00 0.00 C ATOM 1148 O LEU A 74 -2.175 2.391 -27.253 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.330 3.473 -27.269 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.894 4.209 -26.001 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.807 5.240 -26.312 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.094 4.838 -25.292 1.00 0.00 C ATOM 0 H LEU A 74 -6.295 1.208 -27.052 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.241 2.323 -28.657 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.258 4.164 -28.109 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.381 3.205 -27.166 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.461 3.481 -25.315 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.515 5.749 -25.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.940 4.737 -26.739 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.191 5.970 -27.025 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.756 5.355 -24.394 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.579 5.550 -25.960 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.804 4.058 -25.016 1.00 0.00 H new ATOM 1164 N SER A 75 -3.428 1.498 -25.597 1.00 0.00 N ATOM 1165 CA SER A 75 -2.299 1.278 -24.710 1.00 0.00 C ATOM 1166 C SER A 75 -1.306 0.310 -25.357 1.00 0.00 C ATOM 1167 O SER A 75 -0.113 0.350 -25.062 1.00 0.00 O ATOM 1168 CB SER A 75 -2.760 0.737 -23.354 1.00 0.00 C ATOM 1169 OG SER A 75 -4.119 0.308 -23.386 1.00 0.00 O ATOM 0 H SER A 75 -4.330 1.206 -25.220 1.00 0.00 H new ATOM 0 HA SER A 75 -1.806 2.235 -24.540 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.123 -0.097 -23.061 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.641 1.511 -22.595 1.00 0.00 H new ATOM 0 HG SER A 75 -4.164 -0.611 -23.723 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.836 -0.538 -26.228 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.011 -1.514 -26.919 1.00 0.00 C ATOM 1177 C LYS A 76 0.018 -0.784 -27.784 1.00 0.00 C ATOM 1178 O LYS A 76 0.992 -1.384 -28.236 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.886 -2.496 -27.701 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.005 -2.077 -29.168 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.935 -2.760 -30.022 1.00 0.00 C ATOM 1182 CE LYS A 76 -0.592 -1.914 -31.250 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.472 -2.270 -32.386 1.00 0.00 N ATOM 0 H LYS A 76 -2.826 -0.569 -26.470 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.454 -2.119 -26.203 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.460 -3.497 -27.639 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.878 -2.543 -27.251 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.995 -2.335 -29.544 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.905 -0.995 -29.250 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.037 -2.922 -29.425 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.289 -3.741 -30.339 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.704 -0.856 -31.013 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.451 -2.070 -31.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.226 -1.687 -33.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.345 -3.275 -32.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.464 -2.099 -32.124 1.00 0.00 H new ATOM 1197 N THR A 77 -0.232 0.501 -27.987 1.00 0.00 N ATOM 1198 CA THR A 77 0.661 1.319 -28.790 1.00 0.00 C ATOM 1199 C THR A 77 1.726 1.972 -27.907 1.00 0.00 C ATOM 1200 O THR A 77 2.767 2.404 -28.399 1.00 0.00 O ATOM 1201 CB THR A 77 -0.189 2.331 -29.563 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.648 2.735 -30.642 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.429 3.619 -28.773 1.00 0.00 C ATOM 0 H THR A 77 -1.040 0.996 -27.609 1.00 0.00 H new ATOM 0 HA THR A 77 1.208 0.713 -29.512 1.00 0.00 H new ATOM 0 HB THR A 77 -1.147 1.879 -29.819 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.174 3.390 -31.196 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.037 4.302 -29.367 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.949 3.385 -27.844 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.527 4.089 -28.545 1.00 0.00 H new ATOM 1211 N PHE A 78 1.430 2.021 -26.616 1.00 0.00 N ATOM 1212 CA PHE A 78 2.349 2.612 -25.659 1.00 0.00 C ATOM 1213 C PHE A 78 3.099 1.531 -24.878 1.00 0.00 C ATOM 1214 O PHE A 78 3.991 1.836 -24.088 1.00 0.00 O ATOM 1215 CB PHE A 78 1.508 3.438 -24.683 1.00 0.00 C ATOM 1216 CG PHE A 78 1.067 4.795 -25.236 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.084 5.020 -26.576 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.658 5.775 -24.386 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.675 6.280 -27.089 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.248 7.034 -24.898 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.265 7.260 -26.240 1.00 0.00 C ATOM 0 H PHE A 78 0.566 1.661 -26.211 1.00 0.00 H new ATOM 0 HA PHE A 78 3.086 3.223 -26.180 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.623 2.865 -24.407 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.082 3.598 -23.770 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.408 4.241 -27.251 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.645 5.595 -23.321 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.690 6.460 -28.154 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.077 7.812 -24.223 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.047 8.217 -26.631 1.00 0.00 H new ATOM 1231 N ILE A 79 2.710 0.289 -25.128 1.00 0.00 N ATOM 1232 CA ILE A 79 3.335 -0.840 -24.459 1.00 0.00 C ATOM 1233 C ILE A 79 4.841 -0.815 -24.725 1.00 0.00 C ATOM 1234 O ILE A 79 5.271 -0.754 -25.875 1.00 0.00 O ATOM 1235 CB ILE A 79 2.660 -2.148 -24.872 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.443 -2.439 -23.989 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.659 -3.306 -24.869 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.107 -3.933 -23.996 1.00 0.00 C ATOM 0 H ILE A 79 1.970 0.040 -25.784 1.00 0.00 H new ATOM 0 HA ILE A 79 3.200 -0.765 -23.380 1.00 0.00 H new ATOM 0 HB ILE A 79 2.298 -2.038 -25.894 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.643 -2.112 -22.969 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.586 -1.868 -24.345 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.153 -4.224 -25.166 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.465 -3.093 -25.571 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.072 -3.428 -23.868 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.239 -4.114 -23.362 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.884 -4.251 -25.015 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.958 -4.499 -23.617 1.00 0.00 H new ATOM 1250 N ILE A 80 5.602 -0.863 -23.641 1.00 0.00 N ATOM 1251 CA ILE A 80 7.052 -0.846 -23.742 1.00 0.00 C ATOM 1252 C ILE A 80 7.597 -2.239 -23.418 1.00 0.00 C ATOM 1253 O ILE A 80 8.702 -2.587 -23.830 1.00 0.00 O ATOM 1254 CB ILE A 80 7.637 0.262 -22.867 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.633 0.710 -21.803 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.130 1.434 -23.720 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.476 -0.352 -20.714 1.00 0.00 C ATOM 0 H ILE A 80 5.242 -0.914 -22.688 1.00 0.00 H new ATOM 0 HA ILE A 80 7.361 -0.611 -24.761 1.00 0.00 H new ATOM 0 HB ILE A 80 8.503 -0.141 -22.342 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.965 1.647 -21.356 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.667 0.904 -22.269 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.541 2.208 -23.072 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.903 1.086 -24.405 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.297 1.844 -24.291 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.757 -0.008 -19.971 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.120 -1.281 -21.160 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.439 -0.526 -20.234 1.00 0.00 H new ATOM 1269 N GLY A 81 6.795 -2.997 -22.685 1.00 0.00 N ATOM 1270 CA GLY A 81 7.184 -4.344 -22.301 1.00 0.00 C ATOM 1271 C GLY A 81 6.065 -5.035 -21.518 1.00 0.00 C ATOM 1272 O GLY A 81 4.887 -4.761 -21.740 1.00 0.00 O ATOM 0 H GLY A 81 5.878 -2.705 -22.347 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.422 -4.925 -23.192 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.088 -4.306 -21.694 1.00 0.00 H new ATOM 1276 N GLU A 82 6.476 -5.918 -20.620 1.00 0.00 N ATOM 1277 CA GLU A 82 5.522 -6.651 -19.803 1.00 0.00 C ATOM 1278 C GLU A 82 6.148 -7.016 -18.455 1.00 0.00 C ATOM 1279 O GLU A 82 7.364 -6.931 -18.288 1.00 0.00 O ATOM 1280 CB GLU A 82 5.022 -7.900 -20.532 1.00 0.00 C ATOM 1281 CG GLU A 82 4.995 -7.678 -22.045 1.00 0.00 C ATOM 1282 CD GLU A 82 4.494 -8.925 -22.774 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.834 -10.032 -22.304 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.780 -8.744 -23.785 1.00 0.00 O ATOM 0 H GLU A 82 7.455 -6.143 -20.440 1.00 0.00 H new ATOM 0 HA GLU A 82 4.661 -6.009 -19.619 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.668 -8.746 -20.297 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.022 -8.155 -20.180 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.350 -6.831 -22.280 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.995 -7.424 -22.397 1.00 0.00 H new ATOM 1291 N LEU A 83 5.290 -7.416 -17.529 1.00 0.00 N ATOM 1292 CA LEU A 83 5.744 -7.794 -16.202 1.00 0.00 C ATOM 1293 C LEU A 83 6.296 -9.221 -16.243 1.00 0.00 C ATOM 1294 O LEU A 83 5.583 -10.156 -16.601 1.00 0.00 O ATOM 1295 CB LEU A 83 4.624 -7.598 -15.177 1.00 0.00 C ATOM 1296 CG LEU A 83 5.003 -7.843 -13.715 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.504 -8.100 -13.573 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.533 -6.690 -12.827 1.00 0.00 C ATOM 0 H LEU A 83 4.282 -7.487 -17.671 1.00 0.00 H new ATOM 0 HA LEU A 83 6.559 -7.146 -15.879 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.249 -6.579 -15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.801 -8.265 -15.435 1.00 0.00 H new ATOM 0 HG LEU A 83 4.489 -8.742 -13.375 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.746 -8.271 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.780 -8.978 -14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.057 -7.234 -13.937 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.815 -6.889 -11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.999 -5.762 -13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.449 -6.596 -12.896 1.00 0.00 H new ATOM 1310 N HIS A 84 7.563 -9.342 -15.876 1.00 0.00 N ATOM 1311 CA HIS A 84 8.220 -10.636 -15.867 1.00 0.00 C ATOM 1312 C HIS A 84 7.586 -11.525 -14.794 1.00 0.00 C ATOM 1313 O HIS A 84 6.614 -11.133 -14.151 1.00 0.00 O ATOM 1314 CB HIS A 84 9.732 -10.479 -15.689 1.00 0.00 C ATOM 1315 CG HIS A 84 10.549 -11.154 -16.765 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.065 -11.388 -18.039 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.823 -11.642 -16.741 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.012 -11.990 -18.743 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.102 -12.147 -17.937 1.00 0.00 N ATOM 0 H HIS A 84 8.152 -8.563 -15.582 1.00 0.00 H new ATOM 0 HA HIS A 84 8.076 -11.127 -16.830 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.978 -9.417 -15.673 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.018 -10.887 -14.720 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.491 -11.621 -15.893 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.935 -12.302 -19.774 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.985 -12.580 -18.208 1.00 0.00 H new ATOM 1328 N PRO A 85 8.181 -12.739 -14.629 1.00 0.00 N ATOM 1329 CA PRO A 85 7.685 -13.686 -13.645 1.00 0.00 C ATOM 1330 C PRO A 85 8.079 -13.263 -12.229 1.00 0.00 C ATOM 1331 O PRO A 85 7.945 -14.039 -11.285 1.00 0.00 O ATOM 1332 CB PRO A 85 8.282 -15.024 -14.052 1.00 0.00 C ATOM 1333 CG PRO A 85 9.452 -14.697 -14.965 1.00 0.00 C ATOM 1334 CD PRO A 85 9.333 -13.237 -15.372 1.00 0.00 C ATOM 0 HA PRO A 85 6.596 -13.739 -13.624 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.613 -15.586 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.545 -15.640 -14.567 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.397 -14.874 -14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.441 -15.340 -15.845 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.236 -12.681 -15.121 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.185 -13.136 -16.447 1.00 0.00 H new ATOM 1342 N ASP A 86 8.555 -12.030 -12.125 1.00 0.00 N ATOM 1343 CA ASP A 86 8.969 -11.494 -10.840 1.00 0.00 C ATOM 1344 C ASP A 86 7.731 -11.076 -10.044 1.00 0.00 C ATOM 1345 O ASP A 86 7.756 -11.059 -8.814 1.00 0.00 O ATOM 1346 CB ASP A 86 9.856 -10.260 -11.017 1.00 0.00 C ATOM 1347 CG ASP A 86 9.668 -9.170 -9.960 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.161 -9.384 -8.830 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.034 -8.149 -10.302 1.00 0.00 O ATOM 0 H ASP A 86 8.663 -11.388 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 86 9.530 -12.269 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.899 -10.577 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.662 -9.830 -11.999 1.00 0.00 H new ATOM 1354 N ASP A 87 6.678 -10.749 -10.778 1.00 0.00 N ATOM 1355 CA ASP A 87 5.432 -10.333 -10.156 1.00 0.00 C ATOM 1356 C ASP A 87 4.306 -10.387 -11.190 1.00 0.00 C ATOM 1357 O ASP A 87 3.785 -9.352 -11.601 1.00 0.00 O ATOM 1358 CB ASP A 87 5.530 -8.896 -9.638 1.00 0.00 C ATOM 1359 CG ASP A 87 6.086 -8.755 -8.220 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.274 -8.875 -7.277 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.310 -8.532 -8.111 1.00 0.00 O ATOM 0 H ASP A 87 6.662 -10.764 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 87 5.230 -11.005 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.161 -8.323 -10.318 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.538 -8.446 -9.669 1.00 0.00 H new ATOM 1366 N ARG A 88 3.967 -11.606 -11.584 1.00 0.00 N ATOM 1367 CA ARG A 88 2.912 -11.811 -12.563 1.00 0.00 C ATOM 1368 C ARG A 88 1.554 -11.916 -11.866 1.00 0.00 C ATOM 1369 O ARG A 88 0.755 -10.982 -11.914 1.00 0.00 O ATOM 1370 CB ARG A 88 3.159 -13.080 -13.380 1.00 0.00 C ATOM 1371 CG ARG A 88 4.492 -13.001 -14.129 1.00 0.00 C ATOM 1372 CD ARG A 88 4.334 -12.251 -15.452 1.00 0.00 C ATOM 1373 NE ARG A 88 3.323 -12.925 -16.298 1.00 0.00 N ATOM 1374 CZ ARG A 88 2.980 -12.516 -17.527 1.00 0.00 C ATOM 1375 NH1 ARG A 88 3.564 -11.434 -18.062 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.053 -13.189 -18.222 1.00 0.00 N ATOM 0 H ARG A 88 4.404 -12.462 -11.243 1.00 0.00 H new ATOM 0 HA ARG A 88 2.912 -10.954 -13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.160 -13.947 -12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.346 -13.222 -14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.233 -12.498 -13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.866 -14.007 -14.320 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.033 -11.221 -15.262 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.290 -12.212 -15.974 1.00 0.00 H new ATOM 0 HE ARG A 88 2.859 -13.752 -15.922 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.270 -10.922 -17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.302 -11.123 -18.998 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.609 -14.012 -17.815 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.792 -12.878 -19.158 1.00 0.00 H new ATOM 1390 N SER A 89 1.335 -13.060 -11.236 1.00 0.00 N ATOM 1391 CA SER A 89 0.087 -13.299 -10.531 1.00 0.00 C ATOM 1392 C SER A 89 -0.044 -12.330 -9.355 1.00 0.00 C ATOM 1393 O SER A 89 -1.088 -12.271 -8.708 1.00 0.00 O ATOM 1394 CB SER A 89 0.001 -14.746 -10.040 1.00 0.00 C ATOM 1395 OG SER A 89 -1.263 -15.334 -10.334 1.00 0.00 O ATOM 0 H SER A 89 2.001 -13.832 -11.199 1.00 0.00 H new ATOM 0 HA SER A 89 -0.736 -13.130 -11.225 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.792 -15.335 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.173 -14.775 -8.964 1.00 0.00 H new ATOM 0 HG SER A 89 -1.278 -16.258 -10.007 1.00 0.00 H new ATOM 1401 N LYS A 90 1.033 -11.595 -9.113 1.00 0.00 N ATOM 1402 CA LYS A 90 1.052 -10.632 -8.025 1.00 0.00 C ATOM 1403 C LYS A 90 0.205 -9.417 -8.411 1.00 0.00 C ATOM 1404 O LYS A 90 -0.243 -8.667 -7.544 1.00 0.00 O ATOM 1405 CB LYS A 90 2.491 -10.282 -7.645 1.00 0.00 C ATOM 1406 CG LYS A 90 3.131 -11.406 -6.828 1.00 0.00 C ATOM 1407 CD LYS A 90 3.611 -10.892 -5.469 1.00 0.00 C ATOM 1408 CE LYS A 90 3.236 -11.868 -4.351 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.024 -11.585 -3.131 1.00 0.00 N ATOM 0 H LYS A 90 1.898 -11.647 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 90 0.605 -11.061 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.076 -10.105 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.504 -9.356 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.410 -12.210 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.972 -11.827 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.692 -10.754 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.169 -9.916 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.172 -11.786 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.416 -12.892 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.758 -12.256 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.038 -11.685 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.831 -10.614 -2.811 1.00 0.00 H new ATOM 1423 N ILE A 91 0.011 -9.260 -9.712 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.774 -8.149 -10.223 1.00 0.00 C ATOM 1425 C ILE A 91 -1.852 -8.685 -11.169 1.00 0.00 C ATOM 1426 O ILE A 91 -2.966 -8.164 -11.204 1.00 0.00 O ATOM 1427 CB ILE A 91 0.136 -7.098 -10.862 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.489 -7.479 -12.301 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.384 -6.863 -10.008 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.458 -6.467 -12.914 1.00 0.00 C ATOM 0 H ILE A 91 0.384 -9.884 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.288 -7.639 -9.408 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.408 -6.155 -10.904 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.936 -8.473 -12.319 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.419 -7.528 -12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.014 -6.112 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.088 -6.514 -9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.940 -7.795 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.693 -6.761 -13.937 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.998 -5.479 -12.917 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.375 -6.439 -12.325 1.00 0.00 H new ATOM 1442 N THR A 92 -1.483 -9.718 -11.911 1.00 0.00 N ATOM 1443 CA THR A 92 -2.403 -10.328 -12.855 1.00 0.00 C ATOM 1444 C THR A 92 -3.851 -10.101 -12.411 1.00 0.00 C ATOM 1445 O THR A 92 -4.175 -10.262 -11.235 1.00 0.00 O ATOM 1446 CB THR A 92 -2.034 -11.807 -12.985 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.507 -12.170 -14.280 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.835 -12.699 -12.034 1.00 0.00 C ATOM 0 H THR A 92 -0.559 -10.148 -11.878 1.00 0.00 H new ATOM 0 HA THR A 92 -2.321 -9.869 -13.840 1.00 0.00 H new ATOM 0 HB THR A 92 -0.969 -11.932 -12.789 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.895 -12.822 -14.681 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.533 -13.738 -12.168 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.645 -12.396 -11.004 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.899 -12.599 -12.251 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.681 -9.733 -13.374 1.00 0.00 N ATOM 1457 CA LYS A 93 -6.084 -9.481 -13.098 1.00 0.00 C ATOM 1458 C LYS A 93 -6.618 -10.569 -12.165 1.00 0.00 C ATOM 1459 O LYS A 93 -6.898 -11.686 -12.602 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.873 -9.349 -14.404 1.00 0.00 C ATOM 1461 CG LYS A 93 -8.311 -8.903 -14.133 1.00 0.00 C ATOM 1462 CD LYS A 93 -9.309 -9.983 -14.554 1.00 0.00 C ATOM 1463 CE LYS A 93 -10.584 -9.910 -13.713 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.856 -11.215 -13.069 1.00 0.00 N ATOM 0 H LYS A 93 -4.408 -9.603 -14.348 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.206 -8.529 -12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.382 -8.629 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.878 -10.304 -14.928 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.434 -8.683 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.518 -7.981 -14.676 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.557 -9.862 -15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.853 -10.967 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.481 -9.137 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.427 -9.626 -14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.876 -11.306 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.548 -11.984 -13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.336 -11.274 -12.170 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.749 -10.198 -10.864 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.245 -11.130 -9.865 1.00 0.00 C ATOM 1480 C PRO A 94 -8.757 -11.322 -9.996 1.00 0.00 C ATOM 1481 O PRO A 94 -9.344 -10.966 -11.018 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.837 -10.528 -8.529 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.540 -9.063 -8.805 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.429 -8.885 -10.310 1.00 0.00 C ATOM 0 HA PRO A 94 -6.829 -12.131 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.635 -10.633 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.961 -11.034 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.332 -8.431 -8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.613 -8.763 -8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.121 -8.124 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.427 -8.567 -10.598 1.00 0.00 H new ATOM 1492 N SER A 95 -9.344 -11.885 -8.950 1.00 0.00 N ATOM 1493 CA SER A 95 -10.776 -12.128 -8.937 1.00 0.00 C ATOM 1494 C SER A 95 -11.483 -11.045 -8.119 1.00 0.00 C ATOM 1495 O SER A 95 -11.362 -11.007 -6.895 1.00 0.00 O ATOM 1496 CB SER A 95 -11.093 -13.513 -8.370 1.00 0.00 C ATOM 1497 OG SER A 95 -12.450 -13.885 -8.595 1.00 0.00 O ATOM 0 H SER A 95 -8.854 -12.180 -8.106 1.00 0.00 H new ATOM 0 HA SER A 95 -11.139 -12.093 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.434 -14.251 -8.827 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.887 -13.522 -7.300 1.00 0.00 H new ATOM 0 HG SER A 95 -12.612 -14.776 -8.220 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.206 -10.190 -8.829 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.932 -9.110 -8.185 1.00 0.00 C ATOM 1505 C GLU A 96 -13.748 -9.647 -7.006 1.00 0.00 C ATOM 1506 O GLU A 96 -13.981 -10.850 -6.905 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.831 -8.381 -9.186 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.406 -6.918 -9.339 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.088 -6.809 -10.108 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -11.247 -7.714 -9.925 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -11.951 -5.820 -10.861 1.00 0.00 O ATOM 0 H GLU A 96 -12.304 -10.224 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.209 -8.389 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.784 -8.880 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.868 -8.430 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.184 -6.362 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.296 -6.462 -8.355 1.00 0.00 H new ATOM 1518 N SER A 97 -14.157 -8.728 -6.144 1.00 0.00 N ATOM 1519 CA SER A 97 -14.941 -9.093 -4.978 1.00 0.00 C ATOM 1520 C SER A 97 -15.623 -7.854 -4.395 1.00 0.00 C ATOM 1521 O SER A 97 -15.315 -6.730 -4.787 1.00 0.00 O ATOM 1522 CB SER A 97 -14.067 -9.764 -3.915 1.00 0.00 C ATOM 1523 OG SER A 97 -14.286 -11.171 -3.854 1.00 0.00 O ATOM 0 H SER A 97 -13.960 -7.731 -6.230 1.00 0.00 H new ATOM 0 HA SER A 97 -15.703 -9.807 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.017 -9.570 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.277 -9.322 -2.941 1.00 0.00 H new ATOM 0 HG SER A 97 -14.268 -11.544 -4.760 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.539 -8.101 -3.470 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.268 -7.020 -2.832 1.00 0.00 C ATOM 1531 C ILE A 98 -17.151 -7.158 -1.312 1.00 0.00 C ATOM 1532 O ILE A 98 -16.844 -8.236 -0.806 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.713 -6.976 -3.336 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.359 -5.622 -3.034 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -19.527 -8.139 -2.764 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -20.441 -5.290 -4.063 1.00 0.00 C ATOM 0 H ILE A 98 -16.792 -9.035 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.832 -6.058 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.701 -7.092 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -19.795 -5.637 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.597 -4.843 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -20.550 -8.085 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -19.078 -9.083 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -19.534 -8.078 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -20.884 -4.323 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.997 -5.251 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -21.213 -6.059 -4.040 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.401 -6.051 -0.628 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.327 -6.036 0.823 1.00 0.00 C ATOM 1550 C ILE A 99 -18.494 -5.218 1.380 1.00 0.00 C ATOM 1551 O ILE A 99 -19.419 -4.873 0.648 1.00 0.00 O ATOM 1552 CB ILE A 99 -15.955 -5.541 1.283 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -15.880 -4.013 1.243 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -14.835 -6.190 0.468 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -16.283 -3.480 -0.133 1.00 0.00 C ATOM 0 H ILE A 99 -17.655 -5.159 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.426 -7.046 1.221 1.00 0.00 H new ATOM 0 HB ILE A 99 -15.815 -5.843 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -16.536 -3.593 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.867 -3.689 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -13.871 -5.820 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -14.875 -7.272 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -14.960 -5.941 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -16.221 -2.392 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -15.610 -3.883 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -17.305 -3.785 -0.356 1.00 0.00 H new ATOM 1567 N THR A 100 -18.412 -4.935 2.671 1.00 0.00 N ATOM 1568 CA THR A 100 -19.451 -4.164 3.336 1.00 0.00 C ATOM 1569 C THR A 100 -18.828 -3.122 4.267 1.00 0.00 C ATOM 1570 O THR A 100 -17.607 -3.023 4.365 1.00 0.00 O ATOM 1571 CB THR A 100 -20.379 -5.145 4.055 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.544 -5.761 5.032 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.819 -6.303 3.156 1.00 0.00 C ATOM 0 H THR A 100 -17.643 -5.225 3.275 1.00 0.00 H new ATOM 0 HA THR A 100 -20.045 -3.598 2.619 1.00 0.00 H new ATOM 0 HB THR A 100 -21.259 -4.613 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.067 -6.412 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.476 -6.969 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 100 -21.353 -5.910 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.942 -6.856 2.820 1.00 0.00 H new ATOM 1581 N THR A 101 -19.698 -2.371 4.926 1.00 0.00 N ATOM 1582 CA THR A 101 -19.249 -1.339 5.846 1.00 0.00 C ATOM 1583 C THR A 101 -20.361 -0.989 6.838 1.00 0.00 C ATOM 1584 O THR A 101 -21.508 -1.394 6.658 1.00 0.00 O ATOM 1585 CB THR A 101 -18.773 -0.144 5.020 1.00 0.00 C ATOM 1586 OG1 THR A 101 -18.213 0.744 5.984 1.00 0.00 O ATOM 1587 CG2 THR A 101 -19.933 0.648 4.413 1.00 0.00 C ATOM 0 H THR A 101 -20.711 -2.456 4.841 1.00 0.00 H new ATOM 0 HA THR A 101 -18.413 -1.686 6.453 1.00 0.00 H new ATOM 0 HB THR A 101 -18.116 -0.493 4.223 1.00 0.00 H new ATOM 0 HG1 THR A 101 -17.878 1.547 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 101 -19.540 1.485 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 101 -20.514 -0.002 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 101 -20.573 1.025 5.211 1.00 0.00 H new ATOM 1595 N ILE A 102 -19.982 -0.239 7.863 1.00 0.00 N ATOM 1596 CA ILE A 102 -20.930 0.170 8.882 1.00 0.00 C ATOM 1597 C ILE A 102 -21.033 1.698 8.895 1.00 0.00 C ATOM 1598 O ILE A 102 -20.203 2.382 8.299 1.00 0.00 O ATOM 1599 CB ILE A 102 -20.556 -0.431 10.237 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -21.741 -0.391 11.203 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -19.318 0.256 10.819 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -21.629 -1.494 12.257 1.00 0.00 C ATOM 0 H ILE A 102 -19.029 0.096 8.008 1.00 0.00 H new ATOM 0 HA ILE A 102 -21.923 -0.216 8.652 1.00 0.00 H new ATOM 0 HB ILE A 102 -20.301 -1.480 10.085 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -21.782 0.582 11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -22.671 -0.508 10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.074 -0.190 11.783 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -18.477 0.130 10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -19.520 1.319 10.952 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -22.485 -1.442 12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -21.613 -2.467 11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -20.710 -1.360 12.827 1.00 0.00 H new ATOM 1614 N ASP A 103 -22.055 2.185 9.581 1.00 0.00 N ATOM 1615 CA ASP A 103 -22.276 3.618 9.679 1.00 0.00 C ATOM 1616 C ASP A 103 -22.241 4.036 11.150 1.00 0.00 C ATOM 1617 O ASP A 103 -22.321 3.192 12.040 1.00 0.00 O ATOM 1618 CB ASP A 103 -23.642 4.006 9.111 1.00 0.00 C ATOM 1619 CG ASP A 103 -23.598 4.812 7.811 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -22.680 4.542 7.006 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -24.481 5.682 7.652 1.00 0.00 O ATOM 0 H ASP A 103 -22.740 1.613 10.075 1.00 0.00 H new ATOM 0 HA ASP A 103 -21.493 4.118 9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.218 3.097 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -24.179 4.585 9.862 1.00 0.00 H new ATOM 1626 N SER A 104 -22.118 5.339 11.360 1.00 0.00 N ATOM 1627 CA SER A 104 -22.070 5.878 12.707 1.00 0.00 C ATOM 1628 C SER A 104 -23.359 6.647 13.009 1.00 0.00 C ATOM 1629 O SER A 104 -24.432 6.277 12.537 1.00 0.00 O ATOM 1630 CB SER A 104 -20.854 6.787 12.894 1.00 0.00 C ATOM 1631 OG SER A 104 -20.805 7.823 11.918 1.00 0.00 O ATOM 0 H SER A 104 -22.050 6.036 10.619 1.00 0.00 H new ATOM 0 HA SER A 104 -21.978 5.046 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 104 -20.882 7.229 13.890 1.00 0.00 H new ATOM 0 HB3 SER A 104 -19.944 6.191 12.835 1.00 0.00 H new ATOM 0 HG SER A 104 -20.015 8.382 12.074 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.067 5.445 -17.742 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.634 7.350 -18.862 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.074 4.869 -20.985 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.616 3.356 -16.600 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.907 6.173 -14.509 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.738 5.993 -19.533 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.864 6.705 -19.822 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.092 6.739 -21.279 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.044 6.103 -21.895 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.200 5.651 -20.813 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.811 5.902 -23.391 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.306 7.332 -21.962 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.539 6.463 -21.760 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.215 4.984 -21.758 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.858 4.231 -22.513 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.350 4.553 -20.972 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.644 4.379 -18.593 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.348 4.260 -19.963 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.215 3.376 -20.182 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.851 2.898 -18.938 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.715 3.551 -17.980 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.649 2.978 -21.544 1.00 0.00 C HETATM 1660 CAB HEM A 105 -4.008 1.818 -18.586 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.738 1.509 -19.016 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.403 4.881 -15.948 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.396 3.967 -15.662 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.237 3.749 -14.208 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.177 4.551 -13.627 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.870 5.270 -14.704 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.225 2.763 -13.570 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.451 4.699 -12.259 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.438 4.785 -11.319 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.504 6.509 -16.852 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.682 6.751 -15.485 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.747 7.692 -15.254 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.190 8.052 -16.471 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.464 7.278 -17.472 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.304 8.154 -13.914 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.182 9.146 -16.772 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.581 8.581 -16.835 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.330 9.054 -18.060 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.661 9.355 -19.069 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.581 9.108 -18.020 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.771 5.850 -23.905 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.262 4.974 -23.552 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.234 6.738 -23.785 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.580 2.787 -21.452 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.813 3.786 -22.257 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.149 2.076 -21.897 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.920 3.136 -12.592 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.350 2.673 -14.213 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.693 1.785 -13.455 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.198 7.354 -13.181 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.358 8.406 -14.026 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.755 9.032 -13.575 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.233 0.623 -18.631 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.237 2.150 -19.741 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.683 4.900 -10.263 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.396 4.738 -11.635 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.260 6.672 -22.550 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.015 6.728 -20.816 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.108 7.442 -23.028 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.495 8.331 -21.568 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.130 8.873 -15.940 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.532 7.492 -16.838 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.932 9.623 -17.720 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.128 9.917 -16.003 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.443 7.968 -19.222 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.727 4.717 -21.996 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.862 2.667 -16.248 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.126 6.448 -13.488 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.430 1.122 -17.861 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.488 4.748 -11.928 1.00 0.00 H new