USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -25:sc= 0.636 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.276 K(o=0.91,f=0.12) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.972) USER MOD Set 3.1: A 41 SER OG : rot 150:sc= 0.376 USER MOD Set 3.2: A 43 MET CE :methyl -121:sc= 0 (180deg=-0.145) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0173 (180deg=-0.0104) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 72:sc= 0.944 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.742) USER MOD Single : A 13 TYR OH : rot 24:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 2.42 (180deg=2.28) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 1.05 (180deg=1.02) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -177:sc= -0.0536 (180deg=-0.0735) USER MOD Single : A 38 MET CE :methyl -164:sc= -1.47 (180deg=-1.97) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 0.952 (180deg=0.501) USER MOD Single : A 50 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.23) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0615 F(o=-0.71,f=-0.061) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.04 K(o=1,f=-0.41) USER MOD Single : A 83 GLN : amide:sc= 0.821 K(o=0.82,f=-0.46) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.03) USER MOD Single : A 86 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.876) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.996) USER MOD Single : A 88 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.346 K(o=0.35,f=-3.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.176 -1.112 25.389 1.00 0.00 N ATOM 2 CA MET A 1 -0.715 -1.824 24.166 1.00 0.00 C ATOM 3 C MET A 1 0.391 -1.026 23.472 1.00 0.00 C ATOM 4 O MET A 1 0.386 0.205 23.522 1.00 0.00 O ATOM 5 CB MET A 1 -1.863 -2.112 23.173 1.00 0.00 C ATOM 6 CG MET A 1 -3.037 -2.901 23.772 1.00 0.00 C ATOM 7 SD MET A 1 -2.592 -4.439 24.630 1.00 0.00 S ATOM 8 CE MET A 1 -4.246 -5.007 25.113 1.00 0.00 C ATOM 0 H1 MET A 1 -1.084 -1.741 26.212 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.595 -0.262 25.536 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.172 -0.835 25.275 1.00 0.00 H new ATOM 0 HA MET A 1 -0.324 -2.788 24.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.238 -1.165 22.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.463 -2.668 22.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.566 -2.255 24.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.736 -3.142 22.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.163 -5.949 25.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.715 -4.259 25.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.855 -5.155 24.221 1.00 0.00 H new ATOM 20 N ALA A 2 1.339 -1.712 22.826 1.00 0.00 N ATOM 21 CA ALA A 2 2.487 -1.106 22.129 1.00 0.00 C ATOM 22 C ALA A 2 2.892 -1.831 20.822 1.00 0.00 C ATOM 23 O ALA A 2 3.807 -1.388 20.123 1.00 0.00 O ATOM 24 CB ALA A 2 3.661 -1.055 23.120 1.00 0.00 C ATOM 0 H ALA A 2 1.333 -2.730 22.770 1.00 0.00 H new ATOM 0 HA ALA A 2 2.196 -0.106 21.806 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.529 -0.610 22.633 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.382 -0.453 23.984 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.906 -2.066 23.446 1.00 0.00 H new ATOM 30 N GLU A 3 2.240 -2.950 20.485 1.00 0.00 N ATOM 31 CA GLU A 3 2.614 -3.833 19.372 1.00 0.00 C ATOM 32 C GLU A 3 2.308 -3.231 17.988 1.00 0.00 C ATOM 33 O GLU A 3 3.066 -3.453 17.042 1.00 0.00 O ATOM 34 CB GLU A 3 1.907 -5.195 19.526 1.00 0.00 C ATOM 35 CG GLU A 3 2.181 -5.913 20.861 1.00 0.00 C ATOM 36 CD GLU A 3 1.088 -5.651 21.921 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.975 -4.503 22.418 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.344 -6.599 22.271 1.00 0.00 O ATOM 0 H GLU A 3 1.417 -3.275 20.991 1.00 0.00 H new ATOM 0 HA GLU A 3 3.695 -3.962 19.421 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.832 -5.045 19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.218 -5.845 18.708 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.256 -6.986 20.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.145 -5.587 21.252 1.00 0.00 H new ATOM 45 N SER A 4 1.227 -2.447 17.876 1.00 0.00 N ATOM 46 CA SER A 4 0.869 -1.606 16.713 1.00 0.00 C ATOM 47 C SER A 4 0.901 -2.309 15.340 1.00 0.00 C ATOM 48 O SER A 4 1.184 -1.679 14.317 1.00 0.00 O ATOM 49 CB SER A 4 1.695 -0.310 16.730 1.00 0.00 C ATOM 50 OG SER A 4 1.471 0.408 17.938 1.00 0.00 O ATOM 0 H SER A 4 0.541 -2.375 18.628 1.00 0.00 H new ATOM 0 HA SER A 4 -0.187 -1.367 16.835 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.755 -0.546 16.631 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.426 0.311 15.876 1.00 0.00 H new ATOM 0 HG SER A 4 2.005 1.230 17.934 1.00 0.00 H new ATOM 56 N SER A 5 0.607 -3.615 15.303 1.00 0.00 N ATOM 57 CA SER A 5 0.775 -4.498 14.130 1.00 0.00 C ATOM 58 C SER A 5 -0.445 -5.389 13.876 1.00 0.00 C ATOM 59 O SER A 5 -0.321 -6.550 13.475 1.00 0.00 O ATOM 60 CB SER A 5 2.060 -5.329 14.251 1.00 0.00 C ATOM 61 OG SER A 5 3.209 -4.515 14.412 1.00 0.00 O ATOM 0 H SER A 5 0.233 -4.108 16.114 1.00 0.00 H new ATOM 0 HA SER A 5 0.865 -3.850 13.258 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.974 -6.006 15.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.176 -5.947 13.361 1.00 0.00 H new ATOM 0 HG SER A 5 3.207 -4.120 15.309 1.00 0.00 H new ATOM 67 N ASP A 6 -1.636 -4.840 14.117 1.00 0.00 N ATOM 68 CA ASP A 6 -2.911 -5.566 14.137 1.00 0.00 C ATOM 69 C ASP A 6 -3.830 -5.226 12.939 1.00 0.00 C ATOM 70 O ASP A 6 -5.058 -5.331 13.020 1.00 0.00 O ATOM 71 CB ASP A 6 -3.584 -5.365 15.506 1.00 0.00 C ATOM 72 CG ASP A 6 -2.700 -5.862 16.663 1.00 0.00 C ATOM 73 OD1 ASP A 6 -2.767 -7.071 16.996 1.00 0.00 O ATOM 74 OD2 ASP A 6 -1.941 -5.049 17.242 1.00 0.00 O ATOM 0 H ASP A 6 -1.746 -3.845 14.310 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.707 -6.629 14.009 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.806 -4.308 15.649 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.536 -5.896 15.523 1.00 0.00 H new ATOM 79 N LYS A 7 -3.230 -4.792 11.823 1.00 0.00 N ATOM 80 CA LYS A 7 -3.873 -4.343 10.581 1.00 0.00 C ATOM 81 C LYS A 7 -3.057 -4.850 9.400 1.00 0.00 C ATOM 82 O LYS A 7 -1.860 -4.593 9.307 1.00 0.00 O ATOM 83 CB LYS A 7 -4.093 -2.815 10.551 1.00 0.00 C ATOM 84 CG LYS A 7 -3.188 -1.969 11.460 1.00 0.00 C ATOM 85 CD LYS A 7 -1.695 -2.017 11.097 1.00 0.00 C ATOM 86 CE LYS A 7 -0.909 -1.070 12.011 1.00 0.00 C ATOM 87 NZ LYS A 7 0.469 -0.829 11.514 1.00 0.00 N ATOM 0 H LYS A 7 -2.213 -4.742 11.760 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.876 -4.766 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.960 -2.472 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.130 -2.615 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.525 -0.933 11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.310 -2.308 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.318 -3.034 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.555 -1.731 10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.437 -0.120 12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.863 -1.491 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.091 -0.596 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.821 -1.685 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.461 -0.037 10.840 1.00 0.00 H new ATOM 101 N LEU A 8 -3.693 -5.633 8.537 1.00 0.00 N ATOM 102 CA LEU A 8 -3.025 -6.479 7.545 1.00 0.00 C ATOM 103 C LEU A 8 -2.570 -5.739 6.277 1.00 0.00 C ATOM 104 O LEU A 8 -1.773 -6.303 5.530 1.00 0.00 O ATOM 105 CB LEU A 8 -3.843 -7.765 7.287 1.00 0.00 C ATOM 106 CG LEU A 8 -5.369 -7.633 7.112 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.751 -6.697 5.975 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.979 -9.004 6.824 1.00 0.00 C ATOM 0 H LEU A 8 -4.710 -5.702 8.503 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.075 -6.792 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.444 -8.239 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.661 -8.448 8.117 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.753 -7.217 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.837 -6.642 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.351 -5.703 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.339 -7.075 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.057 -8.904 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.546 -9.410 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.769 -9.677 7.655 1.00 0.00 H new ATOM 120 N TYR A 9 -2.979 -4.480 6.077 1.00 0.00 N ATOM 121 CA TYR A 9 -2.569 -3.635 4.955 1.00 0.00 C ATOM 122 C TYR A 9 -2.065 -2.273 5.457 1.00 0.00 C ATOM 123 O TYR A 9 -2.443 -1.807 6.533 1.00 0.00 O ATOM 124 CB TYR A 9 -3.735 -3.456 3.963 1.00 0.00 C ATOM 125 CG TYR A 9 -4.350 -4.716 3.369 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.535 -5.777 2.934 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.747 -4.812 3.213 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.100 -6.931 2.357 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.322 -5.968 2.644 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.499 -7.029 2.210 1.00 0.00 C ATOM 131 OH TYR A 9 -6.055 -8.149 1.667 1.00 0.00 O ATOM 0 H TYR A 9 -3.624 -4.010 6.712 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.748 -4.127 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.526 -2.902 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.385 -2.832 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.463 -5.706 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.381 -3.997 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.463 -7.739 2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.395 -6.041 2.540 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.401 -8.589 1.084 1.00 0.00 H new ATOM 141 N ARG A 10 -1.227 -1.609 4.659 1.00 0.00 N ATOM 142 CA ARG A 10 -0.695 -0.259 4.890 1.00 0.00 C ATOM 143 C ARG A 10 -0.616 0.488 3.554 1.00 0.00 C ATOM 144 O ARG A 10 -0.370 -0.136 2.528 1.00 0.00 O ATOM 145 CB ARG A 10 0.639 -0.358 5.679 1.00 0.00 C ATOM 146 CG ARG A 10 1.739 0.696 5.417 1.00 0.00 C ATOM 147 CD ARG A 10 1.434 2.131 5.873 1.00 0.00 C ATOM 148 NE ARG A 10 1.433 2.348 7.334 1.00 0.00 N ATOM 149 CZ ARG A 10 1.512 3.547 7.892 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.057 4.583 7.325 1.00 0.00 N ATOM 151 NH2 ARG A 10 1.003 3.764 9.061 1.00 0.00 N ATOM 0 H ARG A 10 -0.882 -2.016 3.790 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.356 0.338 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.397 -0.326 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.068 -1.340 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.652 0.367 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.946 0.715 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.169 2.800 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.459 2.419 5.480 1.00 0.00 H new ATOM 0 HE ARG A 10 1.368 1.533 7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.459 4.501 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.083 5.478 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.536 3.008 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.069 4.691 9.482 1.00 0.00 H new ATOM 165 N VAL A 11 -0.828 1.802 3.557 1.00 0.00 N ATOM 166 CA VAL A 11 -0.591 2.737 2.442 1.00 0.00 C ATOM 167 C VAL A 11 0.045 4.029 2.953 1.00 0.00 C ATOM 168 O VAL A 11 -0.258 4.466 4.061 1.00 0.00 O ATOM 169 CB VAL A 11 -1.914 3.018 1.714 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.845 3.981 2.469 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.679 3.622 0.322 1.00 0.00 C ATOM 0 H VAL A 11 -1.191 2.278 4.383 1.00 0.00 H new ATOM 0 HA VAL A 11 0.104 2.285 1.735 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.392 2.041 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.758 4.131 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.095 3.558 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.343 4.938 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.638 3.807 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.135 4.562 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.096 2.927 -0.282 1.00 0.00 H new ATOM 181 N GLU A 12 0.933 4.644 2.176 1.00 0.00 N ATOM 182 CA GLU A 12 1.567 5.921 2.517 1.00 0.00 C ATOM 183 C GLU A 12 2.312 6.539 1.327 1.00 0.00 C ATOM 184 O GLU A 12 2.653 5.849 0.364 1.00 0.00 O ATOM 185 CB GLU A 12 2.571 5.728 3.672 1.00 0.00 C ATOM 186 CG GLU A 12 3.710 4.748 3.351 1.00 0.00 C ATOM 187 CD GLU A 12 4.731 4.684 4.489 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.319 4.773 5.671 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.943 4.575 4.196 1.00 0.00 O ATOM 0 H GLU A 12 1.239 4.267 1.279 1.00 0.00 H new ATOM 0 HA GLU A 12 0.765 6.597 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.000 6.695 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.034 5.370 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.298 3.755 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.207 5.055 2.431 1.00 0.00 H new ATOM 196 N TYR A 13 2.678 7.816 1.450 1.00 0.00 N ATOM 197 CA TYR A 13 3.857 8.341 0.757 1.00 0.00 C ATOM 198 C TYR A 13 5.139 7.929 1.499 1.00 0.00 C ATOM 199 O TYR A 13 5.202 7.965 2.731 1.00 0.00 O ATOM 200 CB TYR A 13 3.762 9.859 0.577 1.00 0.00 C ATOM 201 CG TYR A 13 2.824 10.268 -0.542 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.430 10.193 -0.357 1.00 0.00 C ATOM 203 CD2 TYR A 13 3.347 10.700 -1.775 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.554 10.576 -1.391 1.00 0.00 C ATOM 205 CE2 TYR A 13 2.477 11.079 -2.815 1.00 0.00 C ATOM 206 CZ TYR A 13 1.080 11.028 -2.626 1.00 0.00 C ATOM 207 OH TYR A 13 0.263 11.429 -3.635 1.00 0.00 O ATOM 0 H TYR A 13 2.180 8.501 2.018 1.00 0.00 H new ATOM 0 HA TYR A 13 3.896 7.906 -0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.423 10.309 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.756 10.258 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.031 9.840 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.416 10.741 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.515 10.525 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.880 11.410 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.600 11.709 -3.265 1.00 0.00 H new ATOM 217 N ALA A 14 6.158 7.526 0.741 1.00 0.00 N ATOM 218 CA ALA A 14 7.398 6.949 1.246 1.00 0.00 C ATOM 219 C ALA A 14 8.258 7.941 2.050 1.00 0.00 C ATOM 220 O ALA A 14 8.672 8.981 1.526 1.00 0.00 O ATOM 221 CB ALA A 14 8.173 6.398 0.042 1.00 0.00 C ATOM 0 H ALA A 14 6.140 7.596 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 14 7.150 6.158 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.110 5.957 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.575 5.637 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.386 7.208 -0.655 1.00 0.00 H new ATOM 227 N LYS A 15 8.597 7.580 3.296 1.00 0.00 N ATOM 228 CA LYS A 15 9.463 8.382 4.187 1.00 0.00 C ATOM 229 C LYS A 15 10.902 8.451 3.667 1.00 0.00 C ATOM 230 O LYS A 15 11.513 9.519 3.678 1.00 0.00 O ATOM 231 CB LYS A 15 9.439 7.823 5.627 1.00 0.00 C ATOM 232 CG LYS A 15 8.211 8.227 6.462 1.00 0.00 C ATOM 233 CD LYS A 15 6.884 7.669 5.934 1.00 0.00 C ATOM 234 CE LYS A 15 5.736 7.985 6.896 1.00 0.00 C ATOM 235 NZ LYS A 15 4.459 7.470 6.353 1.00 0.00 N ATOM 0 H LYS A 15 8.275 6.712 3.724 1.00 0.00 H new ATOM 0 HA LYS A 15 9.064 9.396 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.485 6.735 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.338 8.157 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.354 7.886 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.148 9.315 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.670 8.095 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.966 6.590 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.933 7.536 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.666 9.062 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.671 7.806 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.333 7.812 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.475 6.430 6.356 1.00 0.00 H new ATOM 249 N SER A 16 11.428 7.328 3.172 1.00 0.00 N ATOM 250 CA SER A 16 12.730 7.232 2.501 1.00 0.00 C ATOM 251 C SER A 16 12.760 6.099 1.471 1.00 0.00 C ATOM 252 O SER A 16 12.000 5.127 1.567 1.00 0.00 O ATOM 253 CB SER A 16 13.857 7.060 3.526 1.00 0.00 C ATOM 254 OG SER A 16 15.085 7.406 2.909 1.00 0.00 O ATOM 0 H SER A 16 10.945 6.431 3.228 1.00 0.00 H new ATOM 0 HA SER A 16 12.887 8.167 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.678 7.694 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.890 6.031 3.883 1.00 0.00 H new ATOM 0 HG SER A 16 15.816 7.302 3.554 1.00 0.00 H new ATOM 260 N GLY A 17 13.655 6.216 0.487 1.00 0.00 N ATOM 261 CA GLY A 17 13.820 5.294 -0.643 1.00 0.00 C ATOM 262 C GLY A 17 14.637 4.045 -0.298 1.00 0.00 C ATOM 263 O GLY A 17 15.647 3.766 -0.949 1.00 0.00 O ATOM 0 H GLY A 17 14.316 6.992 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.836 4.988 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.306 5.821 -1.464 1.00 0.00 H new ATOM 267 N ARG A 18 14.273 3.356 0.791 1.00 0.00 N ATOM 268 CA ARG A 18 14.976 2.171 1.337 1.00 0.00 C ATOM 269 C ARG A 18 14.133 0.885 1.332 1.00 0.00 C ATOM 270 O ARG A 18 14.670 -0.192 1.593 1.00 0.00 O ATOM 271 CB ARG A 18 15.529 2.488 2.746 1.00 0.00 C ATOM 272 CG ARG A 18 16.925 3.134 2.730 1.00 0.00 C ATOM 273 CD ARG A 18 16.944 4.623 2.355 1.00 0.00 C ATOM 274 NE ARG A 18 18.316 5.085 2.074 1.00 0.00 N ATOM 275 CZ ARG A 18 18.959 5.018 0.919 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.410 4.549 -0.166 1.00 0.00 N ATOM 277 NH2 ARG A 18 20.192 5.425 0.840 1.00 0.00 N ATOM 0 H ARG A 18 13.453 3.611 1.341 1.00 0.00 H new ATOM 0 HA ARG A 18 15.807 1.961 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.835 3.155 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.571 1.566 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.375 3.017 3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.554 2.589 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.315 4.788 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.519 5.211 3.168 1.00 0.00 H new ATOM 0 HE ARG A 18 18.824 5.501 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.447 4.215 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.944 4.516 -1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.661 5.795 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.690 5.374 -0.049 1.00 0.00 H new ATOM 291 N ALA A 19 12.842 0.973 1.006 1.00 0.00 N ATOM 292 CA ALA A 19 11.966 -0.183 0.825 1.00 0.00 C ATOM 293 C ALA A 19 12.191 -0.848 -0.547 1.00 0.00 C ATOM 294 O ALA A 19 12.507 -0.177 -1.534 1.00 0.00 O ATOM 295 CB ALA A 19 10.513 0.259 1.022 1.00 0.00 C ATOM 0 H ALA A 19 12.369 1.865 0.858 1.00 0.00 H new ATOM 0 HA ALA A 19 12.204 -0.941 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.851 -0.597 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.388 0.661 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.264 1.027 0.290 1.00 0.00 H new ATOM 301 N SER A 20 11.981 -2.163 -0.621 1.00 0.00 N ATOM 302 CA SER A 20 12.114 -2.963 -1.844 1.00 0.00 C ATOM 303 C SER A 20 10.782 -3.618 -2.194 1.00 0.00 C ATOM 304 O SER A 20 10.090 -4.142 -1.318 1.00 0.00 O ATOM 305 CB SER A 20 13.254 -3.982 -1.735 1.00 0.00 C ATOM 306 OG SER A 20 13.099 -4.842 -0.615 1.00 0.00 O ATOM 0 H SER A 20 11.706 -2.718 0.189 1.00 0.00 H new ATOM 0 HA SER A 20 12.382 -2.296 -2.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.294 -4.579 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.205 -3.454 -1.657 1.00 0.00 H new ATOM 0 HG SER A 20 13.845 -5.476 -0.584 1.00 0.00 H new ATOM 312 N CYS A 21 10.407 -3.557 -3.472 1.00 0.00 N ATOM 313 CA CYS A 21 9.122 -4.047 -3.954 1.00 0.00 C ATOM 314 C CYS A 21 9.128 -5.583 -4.034 1.00 0.00 C ATOM 315 O CYS A 21 9.872 -6.177 -4.823 1.00 0.00 O ATOM 316 CB CYS A 21 8.844 -3.386 -5.298 1.00 0.00 C ATOM 317 SG CYS A 21 7.180 -3.834 -5.904 1.00 0.00 S ATOM 0 H CYS A 21 10.995 -3.162 -4.206 1.00 0.00 H new ATOM 0 HA CYS A 21 8.319 -3.786 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.922 -2.303 -5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.596 -3.695 -6.024 1.00 0.00 H new ATOM 322 N LYS A 22 8.297 -6.244 -3.220 1.00 0.00 N ATOM 323 CA LYS A 22 8.280 -7.718 -3.111 1.00 0.00 C ATOM 324 C LYS A 22 7.612 -8.420 -4.310 1.00 0.00 C ATOM 325 O LYS A 22 7.620 -9.651 -4.370 1.00 0.00 O ATOM 326 CB LYS A 22 7.652 -8.171 -1.776 1.00 0.00 C ATOM 327 CG LYS A 22 8.075 -7.384 -0.525 1.00 0.00 C ATOM 328 CD LYS A 22 9.569 -7.426 -0.173 1.00 0.00 C ATOM 329 CE LYS A 22 10.035 -8.843 0.185 1.00 0.00 C ATOM 330 NZ LYS A 22 11.475 -8.861 0.556 1.00 0.00 N ATOM 0 H LYS A 22 7.617 -5.780 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 22 9.324 -8.031 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.568 -8.109 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.899 -9.221 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.784 -6.342 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.511 -7.765 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.151 -7.055 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.763 -6.758 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.439 -9.226 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.867 -9.508 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.760 -9.833 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.044 -8.518 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.629 -8.245 1.379 1.00 0.00 H new ATOM 344 N LYS A 23 7.039 -7.658 -5.257 1.00 0.00 N ATOM 345 CA LYS A 23 6.341 -8.161 -6.458 1.00 0.00 C ATOM 346 C LYS A 23 7.189 -8.036 -7.726 1.00 0.00 C ATOM 347 O LYS A 23 7.433 -9.055 -8.377 1.00 0.00 O ATOM 348 CB LYS A 23 4.975 -7.462 -6.583 1.00 0.00 C ATOM 349 CG LYS A 23 4.169 -7.772 -7.858 1.00 0.00 C ATOM 350 CD LYS A 23 3.873 -9.266 -8.067 1.00 0.00 C ATOM 351 CE LYS A 23 2.962 -9.445 -9.285 1.00 0.00 C ATOM 352 NZ LYS A 23 2.632 -10.875 -9.529 1.00 0.00 N ATOM 0 H LYS A 23 7.048 -6.639 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 23 6.171 -9.231 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.369 -7.736 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.135 -6.385 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.225 -7.228 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.718 -7.397 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.804 -9.814 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.395 -9.680 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.041 -8.881 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.450 -9.030 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.014 -10.951 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.508 -11.410 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.143 -11.265 -8.698 1.00 0.00 H new ATOM 366 N CYS A 24 7.643 -6.824 -8.070 1.00 0.00 N ATOM 367 CA CYS A 24 8.428 -6.579 -9.294 1.00 0.00 C ATOM 368 C CYS A 24 9.964 -6.584 -9.085 1.00 0.00 C ATOM 369 O CYS A 24 10.727 -6.495 -10.051 1.00 0.00 O ATOM 370 CB CYS A 24 7.862 -5.371 -10.064 1.00 0.00 C ATOM 371 SG CYS A 24 8.344 -3.749 -9.362 1.00 0.00 S ATOM 0 H CYS A 24 7.479 -5.986 -7.512 1.00 0.00 H new ATOM 0 HA CYS A 24 8.300 -7.442 -9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.199 -5.422 -11.099 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.774 -5.440 -10.080 1.00 0.00 H new ATOM 376 N SER A 25 10.418 -6.774 -7.837 1.00 0.00 N ATOM 377 CA SER A 25 11.829 -6.905 -7.422 1.00 0.00 C ATOM 378 C SER A 25 12.715 -5.674 -7.691 1.00 0.00 C ATOM 379 O SER A 25 13.946 -5.767 -7.664 1.00 0.00 O ATOM 380 CB SER A 25 12.455 -8.211 -7.941 1.00 0.00 C ATOM 381 OG SER A 25 11.684 -9.341 -7.547 1.00 0.00 O ATOM 0 H SER A 25 9.779 -6.845 -7.045 1.00 0.00 H new ATOM 0 HA SER A 25 11.793 -6.958 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.526 -8.177 -9.028 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.471 -8.308 -7.558 1.00 0.00 H new ATOM 0 HG SER A 25 12.102 -10.158 -7.891 1.00 0.00 H new ATOM 387 N GLU A 26 12.102 -4.509 -7.910 1.00 0.00 N ATOM 388 CA GLU A 26 12.765 -3.196 -7.933 1.00 0.00 C ATOM 389 C GLU A 26 12.758 -2.573 -6.518 1.00 0.00 C ATOM 390 O GLU A 26 12.320 -3.205 -5.552 1.00 0.00 O ATOM 391 CB GLU A 26 12.067 -2.287 -8.968 1.00 0.00 C ATOM 392 CG GLU A 26 12.043 -2.814 -10.416 1.00 0.00 C ATOM 393 CD GLU A 26 13.412 -2.738 -11.124 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.372 -3.432 -10.709 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.532 -2.000 -12.134 1.00 0.00 O ATOM 0 H GLU A 26 11.099 -4.447 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 26 13.807 -3.310 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.039 -2.122 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.562 -1.316 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.703 -3.850 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.314 -2.242 -10.990 1.00 0.00 H new ATOM 402 N SER A 27 13.220 -1.327 -6.370 1.00 0.00 N ATOM 403 CA SER A 27 13.201 -0.601 -5.089 1.00 0.00 C ATOM 404 C SER A 27 12.362 0.672 -5.164 1.00 0.00 C ATOM 405 O SER A 27 12.298 1.333 -6.201 1.00 0.00 O ATOM 406 CB SER A 27 14.604 -0.318 -4.560 1.00 0.00 C ATOM 407 OG SER A 27 15.360 -1.516 -4.451 1.00 0.00 O ATOM 0 H SER A 27 13.620 -0.788 -7.138 1.00 0.00 H new ATOM 0 HA SER A 27 12.720 -1.263 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.114 0.378 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.538 0.164 -3.585 1.00 0.00 H new ATOM 0 HG SER A 27 16.256 -1.308 -4.112 1.00 0.00 H new ATOM 413 N ILE A 28 11.683 1.010 -4.071 1.00 0.00 N ATOM 414 CA ILE A 28 10.633 2.036 -4.046 1.00 0.00 C ATOM 415 C ILE A 28 11.256 3.406 -3.698 1.00 0.00 C ATOM 416 O ILE A 28 11.968 3.494 -2.694 1.00 0.00 O ATOM 417 CB ILE A 28 9.511 1.620 -3.065 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.003 0.179 -3.333 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.340 2.617 -3.158 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.028 -0.343 -2.273 1.00 0.00 C ATOM 0 H ILE A 28 11.846 0.575 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 28 10.174 2.130 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 28 9.931 1.635 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.514 0.152 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.859 -0.493 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.553 2.319 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.691 3.616 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.946 2.622 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.718 -1.356 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.518 -0.350 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.152 0.305 -2.233 1.00 0.00 H new ATOM 432 N PRO A 29 11.028 4.475 -4.490 1.00 0.00 N ATOM 433 CA PRO A 29 11.628 5.794 -4.261 1.00 0.00 C ATOM 434 C PRO A 29 10.981 6.574 -3.100 1.00 0.00 C ATOM 435 O PRO A 29 9.821 6.354 -2.747 1.00 0.00 O ATOM 436 CB PRO A 29 11.485 6.539 -5.593 1.00 0.00 C ATOM 437 CG PRO A 29 10.214 5.941 -6.189 1.00 0.00 C ATOM 438 CD PRO A 29 10.261 4.485 -5.731 1.00 0.00 C ATOM 0 HA PRO A 29 12.669 5.689 -3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.393 7.615 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.348 6.378 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.321 6.449 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.204 6.020 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.256 4.094 -5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.732 3.854 -6.485 1.00 0.00 H new ATOM 446 N LYS A 30 11.734 7.531 -2.537 1.00 0.00 N ATOM 447 CA LYS A 30 11.272 8.513 -1.533 1.00 0.00 C ATOM 448 C LYS A 30 10.154 9.410 -2.093 1.00 0.00 C ATOM 449 O LYS A 30 10.144 9.718 -3.286 1.00 0.00 O ATOM 450 CB LYS A 30 12.491 9.346 -1.084 1.00 0.00 C ATOM 451 CG LYS A 30 12.208 10.357 0.043 1.00 0.00 C ATOM 452 CD LYS A 30 13.498 11.093 0.438 1.00 0.00 C ATOM 453 CE LYS A 30 13.261 12.180 1.498 1.00 0.00 C ATOM 454 NZ LYS A 30 13.193 11.630 2.878 1.00 0.00 N ATOM 0 H LYS A 30 12.719 7.650 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 30 10.844 7.991 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.275 8.665 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.881 9.886 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.457 11.076 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.797 9.840 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.221 10.371 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.939 11.547 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.063 12.916 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.332 12.704 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.915 12.383 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.491 10.863 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.125 11.258 3.150 1.00 0.00 H new ATOM 468 N ASP A 31 9.244 9.858 -1.225 1.00 0.00 N ATOM 469 CA ASP A 31 8.146 10.790 -1.541 1.00 0.00 C ATOM 470 C ASP A 31 7.258 10.337 -2.726 1.00 0.00 C ATOM 471 O ASP A 31 6.842 11.133 -3.572 1.00 0.00 O ATOM 472 CB ASP A 31 8.697 12.225 -1.651 1.00 0.00 C ATOM 473 CG ASP A 31 7.596 13.303 -1.663 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.643 13.212 -0.851 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.710 14.279 -2.444 1.00 0.00 O ATOM 0 H ASP A 31 9.247 9.574 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 31 7.440 10.781 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.370 12.413 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.289 12.310 -2.562 1.00 0.00 H new ATOM 480 N SER A 32 6.977 9.030 -2.787 1.00 0.00 N ATOM 481 CA SER A 32 6.113 8.375 -3.776 1.00 0.00 C ATOM 482 C SER A 32 5.169 7.386 -3.084 1.00 0.00 C ATOM 483 O SER A 32 5.417 6.975 -1.948 1.00 0.00 O ATOM 484 CB SER A 32 6.966 7.677 -4.836 1.00 0.00 C ATOM 485 OG SER A 32 6.148 7.263 -5.918 1.00 0.00 O ATOM 0 H SER A 32 7.365 8.368 -2.115 1.00 0.00 H new ATOM 0 HA SER A 32 5.503 9.129 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.742 8.353 -5.194 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.471 6.815 -4.400 1.00 0.00 H new ATOM 0 HG SER A 32 6.700 6.818 -6.594 1.00 0.00 H new ATOM 491 N LEU A 33 4.066 7.024 -3.737 1.00 0.00 N ATOM 492 CA LEU A 33 2.959 6.286 -3.134 1.00 0.00 C ATOM 493 C LEU A 33 3.258 4.777 -3.102 1.00 0.00 C ATOM 494 O LEU A 33 3.559 4.170 -4.136 1.00 0.00 O ATOM 495 CB LEU A 33 1.667 6.629 -3.899 1.00 0.00 C ATOM 496 CG LEU A 33 0.389 6.027 -3.288 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.013 6.660 -1.952 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.792 6.227 -4.235 1.00 0.00 C ATOM 0 H LEU A 33 3.914 7.241 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 33 2.826 6.582 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.560 7.713 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.764 6.279 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 33 0.603 4.970 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.896 6.194 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.823 6.511 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.157 7.728 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.690 5.797 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.946 7.293 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.584 5.734 -5.185 1.00 0.00 H new ATOM 510 N ARG A 34 3.149 4.167 -1.919 1.00 0.00 N ATOM 511 CA ARG A 34 3.447 2.751 -1.672 1.00 0.00 C ATOM 512 C ARG A 34 2.445 2.112 -0.717 1.00 0.00 C ATOM 513 O ARG A 34 1.777 2.799 0.055 1.00 0.00 O ATOM 514 CB ARG A 34 4.909 2.590 -1.210 1.00 0.00 C ATOM 515 CG ARG A 34 5.269 3.203 0.157 1.00 0.00 C ATOM 516 CD ARG A 34 6.745 2.911 0.478 1.00 0.00 C ATOM 517 NE ARG A 34 7.146 3.414 1.807 1.00 0.00 N ATOM 518 CZ ARG A 34 8.369 3.642 2.249 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.432 3.508 1.507 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.523 4.062 3.466 1.00 0.00 N ATOM 0 H ARG A 34 2.842 4.659 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 34 3.338 2.205 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.142 1.526 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.557 3.036 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.095 4.279 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.628 2.787 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.917 1.836 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.376 3.367 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 34 6.388 3.608 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.341 3.214 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.355 3.697 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.708 4.210 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.459 4.244 3.828 1.00 0.00 H new ATOM 534 N MET A 35 2.355 0.791 -0.781 1.00 0.00 N ATOM 535 CA MET A 35 1.510 -0.060 0.056 1.00 0.00 C ATOM 536 C MET A 35 2.335 -1.169 0.704 1.00 0.00 C ATOM 537 O MET A 35 3.435 -1.477 0.254 1.00 0.00 O ATOM 538 CB MET A 35 0.328 -0.625 -0.752 1.00 0.00 C ATOM 539 CG MET A 35 -0.714 0.457 -1.042 1.00 0.00 C ATOM 540 SD MET A 35 -2.215 -0.071 -1.913 1.00 0.00 S ATOM 541 CE MET A 35 -3.107 -0.888 -0.557 1.00 0.00 C ATOM 0 H MET A 35 2.898 0.251 -1.455 1.00 0.00 H new ATOM 0 HA MET A 35 1.093 0.550 0.858 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.693 -1.043 -1.690 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.136 -1.441 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.011 0.907 -0.094 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.237 1.240 -1.631 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.033 -1.318 -0.938 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.485 -1.679 -0.137 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.338 -0.158 0.219 1.00 0.00 H new ATOM 551 N ALA A 36 1.834 -1.745 1.790 1.00 0.00 N ATOM 552 CA ALA A 36 2.504 -2.815 2.519 1.00 0.00 C ATOM 553 C ALA A 36 1.522 -3.818 3.132 1.00 0.00 C ATOM 554 O ALA A 36 0.322 -3.552 3.218 1.00 0.00 O ATOM 555 CB ALA A 36 3.432 -2.203 3.567 1.00 0.00 C ATOM 0 H ALA A 36 0.937 -1.478 2.195 1.00 0.00 H new ATOM 0 HA ALA A 36 3.099 -3.394 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.936 -2.999 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.174 -1.576 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.848 -1.597 4.260 1.00 0.00 H new ATOM 561 N ILE A 37 2.047 -4.967 3.569 1.00 0.00 N ATOM 562 CA ILE A 37 1.278 -6.053 4.184 1.00 0.00 C ATOM 563 C ILE A 37 1.895 -6.455 5.518 1.00 0.00 C ATOM 564 O ILE A 37 3.114 -6.578 5.613 1.00 0.00 O ATOM 565 CB ILE A 37 1.173 -7.218 3.174 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.165 -7.072 2.429 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.323 -8.612 3.795 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.293 -7.929 1.172 1.00 0.00 C ATOM 0 H ILE A 37 3.044 -5.173 3.503 1.00 0.00 H new ATOM 0 HA ILE A 37 0.264 -5.727 4.417 1.00 0.00 H new ATOM 0 HB ILE A 37 2.016 -7.146 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.975 -7.329 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.300 -6.026 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.236 -9.369 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.299 -8.694 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.541 -8.765 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.268 -7.760 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.492 -7.658 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.194 -8.982 1.438 1.00 0.00 H new ATOM 580 N MET A 38 1.069 -6.685 6.540 1.00 0.00 N ATOM 581 CA MET A 38 1.533 -7.077 7.872 1.00 0.00 C ATOM 582 C MET A 38 1.553 -8.601 8.042 1.00 0.00 C ATOM 583 O MET A 38 0.500 -9.240 8.095 1.00 0.00 O ATOM 584 CB MET A 38 0.669 -6.359 8.923 1.00 0.00 C ATOM 585 CG MET A 38 1.350 -6.170 10.280 1.00 0.00 C ATOM 586 SD MET A 38 2.183 -4.573 10.509 1.00 0.00 S ATOM 587 CE MET A 38 3.437 -4.684 9.211 1.00 0.00 C ATOM 0 H MET A 38 0.055 -6.604 6.467 1.00 0.00 H new ATOM 0 HA MET A 38 2.569 -6.767 8.011 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.384 -5.381 8.534 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.251 -6.926 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.602 -6.287 11.064 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.082 -6.966 10.416 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.208 -3.933 9.385 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.887 -5.677 9.224 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.973 -4.509 8.241 1.00 0.00 H new ATOM 597 N VAL A 39 2.752 -9.182 8.154 1.00 0.00 N ATOM 598 CA VAL A 39 2.966 -10.640 8.285 1.00 0.00 C ATOM 599 C VAL A 39 3.976 -10.974 9.383 1.00 0.00 C ATOM 600 O VAL A 39 4.892 -10.203 9.652 1.00 0.00 O ATOM 601 CB VAL A 39 3.365 -11.252 6.926 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.711 -10.737 6.409 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.382 -12.784 6.930 1.00 0.00 C ATOM 0 H VAL A 39 3.621 -8.649 8.157 1.00 0.00 H new ATOM 0 HA VAL A 39 2.022 -11.091 8.591 1.00 0.00 H new ATOM 0 HB VAL A 39 2.579 -10.920 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.935 -11.204 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.663 -9.655 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.495 -10.984 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.671 -13.147 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.099 -13.138 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.389 -13.158 7.178 1.00 0.00 H new ATOM 613 N GLN A 40 3.817 -12.126 10.033 1.00 0.00 N ATOM 614 CA GLN A 40 4.776 -12.666 11.007 1.00 0.00 C ATOM 615 C GLN A 40 6.049 -13.170 10.308 1.00 0.00 C ATOM 616 O GLN A 40 5.982 -13.927 9.336 1.00 0.00 O ATOM 617 CB GLN A 40 4.110 -13.744 11.882 1.00 0.00 C ATOM 618 CG GLN A 40 3.219 -14.729 11.097 1.00 0.00 C ATOM 619 CD GLN A 40 2.702 -15.902 11.936 1.00 0.00 C ATOM 620 OE1 GLN A 40 2.914 -16.013 13.138 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.992 -16.832 11.333 1.00 0.00 N ATOM 0 H GLN A 40 3.003 -12.725 9.897 1.00 0.00 H new ATOM 0 HA GLN A 40 5.088 -11.863 11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.886 -14.307 12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.507 -13.255 12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.368 -14.186 10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.785 -15.121 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.803 -16.761 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.631 -17.624 11.865 1.00 0.00 H new ATOM 630 N SER A 41 7.220 -12.733 10.781 1.00 0.00 N ATOM 631 CA SER A 41 8.486 -12.935 10.071 1.00 0.00 C ATOM 632 C SER A 41 9.123 -14.305 10.293 1.00 0.00 C ATOM 633 O SER A 41 9.204 -14.773 11.434 1.00 0.00 O ATOM 634 CB SER A 41 9.500 -11.866 10.454 1.00 0.00 C ATOM 635 OG SER A 41 10.576 -11.901 9.539 1.00 0.00 O ATOM 0 H SER A 41 7.317 -12.231 11.664 1.00 0.00 H new ATOM 0 HA SER A 41 8.223 -12.867 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.031 -10.882 10.445 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.862 -12.037 11.468 1.00 0.00 H new ATOM 0 HG SER A 41 10.958 -11.003 9.449 1.00 0.00 H new ATOM 641 N PRO A 42 9.703 -14.902 9.235 1.00 0.00 N ATOM 642 CA PRO A 42 10.650 -15.998 9.367 1.00 0.00 C ATOM 643 C PRO A 42 11.984 -15.609 10.041 1.00 0.00 C ATOM 644 O PRO A 42 12.726 -16.502 10.457 1.00 0.00 O ATOM 645 CB PRO A 42 10.882 -16.520 7.942 1.00 0.00 C ATOM 646 CG PRO A 42 9.654 -16.046 7.165 1.00 0.00 C ATOM 647 CD PRO A 42 9.330 -14.718 7.843 1.00 0.00 C ATOM 0 HA PRO A 42 10.235 -16.756 10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.802 -16.120 7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.969 -17.606 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.869 -15.919 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.828 -16.753 7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.888 -13.898 7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.272 -14.475 7.747 1.00 0.00 H new ATOM 655 N MET A 43 12.311 -14.307 10.136 1.00 0.00 N ATOM 656 CA MET A 43 13.628 -13.804 10.580 1.00 0.00 C ATOM 657 C MET A 43 13.603 -12.732 11.691 1.00 0.00 C ATOM 658 O MET A 43 14.653 -12.199 12.058 1.00 0.00 O ATOM 659 CB MET A 43 14.435 -13.344 9.358 1.00 0.00 C ATOM 660 CG MET A 43 14.014 -11.982 8.786 1.00 0.00 C ATOM 661 SD MET A 43 14.007 -11.896 6.975 1.00 0.00 S ATOM 662 CE MET A 43 12.553 -12.936 6.661 1.00 0.00 C ATOM 0 H MET A 43 11.657 -13.560 9.903 1.00 0.00 H new ATOM 0 HA MET A 43 14.120 -14.647 11.066 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.489 -13.297 9.632 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.342 -14.096 8.574 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.016 -11.741 9.152 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.688 -11.217 9.171 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.840 -13.786 6.042 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.152 -13.297 7.608 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.792 -12.351 6.144 1.00 0.00 H new ATOM 672 N PHE A 44 12.424 -12.408 12.227 1.00 0.00 N ATOM 673 CA PHE A 44 12.215 -11.411 13.287 1.00 0.00 C ATOM 674 C PHE A 44 11.168 -11.891 14.310 1.00 0.00 C ATOM 675 O PHE A 44 10.299 -12.709 14.003 1.00 0.00 O ATOM 676 CB PHE A 44 11.847 -10.055 12.657 1.00 0.00 C ATOM 677 CG PHE A 44 11.534 -8.954 13.653 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.572 -8.347 14.384 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.200 -8.562 13.880 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.277 -7.355 15.338 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.905 -7.569 14.830 1.00 0.00 C ATOM 682 CZ PHE A 44 10.945 -6.967 15.561 1.00 0.00 C ATOM 0 H PHE A 44 11.554 -12.848 11.925 1.00 0.00 H new ATOM 0 HA PHE A 44 13.143 -11.281 13.844 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.672 -9.729 12.024 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.983 -10.195 12.008 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.597 -8.643 14.213 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.401 -9.026 13.322 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.075 -6.892 15.899 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.881 -7.269 14.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.720 -6.206 16.294 1.00 0.00 H new ATOM 692 N ASP A 45 11.246 -11.376 15.536 1.00 0.00 N ATOM 693 CA ASP A 45 10.475 -11.823 16.707 1.00 0.00 C ATOM 694 C ASP A 45 9.101 -11.125 16.813 1.00 0.00 C ATOM 695 O ASP A 45 8.707 -10.627 17.873 1.00 0.00 O ATOM 696 CB ASP A 45 11.336 -11.674 17.975 1.00 0.00 C ATOM 697 CG ASP A 45 12.595 -12.556 17.928 1.00 0.00 C ATOM 698 OD1 ASP A 45 12.478 -13.789 18.129 1.00 0.00 O ATOM 699 OD2 ASP A 45 13.708 -12.021 17.705 1.00 0.00 O ATOM 0 H ASP A 45 11.874 -10.602 15.755 1.00 0.00 H new ATOM 0 HA ASP A 45 10.235 -12.880 16.588 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.629 -10.631 18.093 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.741 -11.939 18.849 1.00 0.00 H new ATOM 704 N GLY A 46 8.374 -11.043 15.694 1.00 0.00 N ATOM 705 CA GLY A 46 7.122 -10.307 15.570 1.00 0.00 C ATOM 706 C GLY A 46 6.693 -10.128 14.114 1.00 0.00 C ATOM 707 O GLY A 46 6.994 -10.953 13.243 1.00 0.00 O ATOM 0 H GLY A 46 8.653 -11.502 14.827 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.339 -10.834 16.115 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.231 -9.328 16.037 1.00 0.00 H new ATOM 711 N LYS A 47 5.979 -9.032 13.856 1.00 0.00 N ATOM 712 CA LYS A 47 5.337 -8.706 12.580 1.00 0.00 C ATOM 713 C LYS A 47 6.188 -7.705 11.793 1.00 0.00 C ATOM 714 O LYS A 47 6.785 -6.798 12.377 1.00 0.00 O ATOM 715 CB LYS A 47 3.924 -8.166 12.863 1.00 0.00 C ATOM 716 CG LYS A 47 3.012 -9.148 13.634 1.00 0.00 C ATOM 717 CD LYS A 47 2.328 -10.215 12.769 1.00 0.00 C ATOM 718 CE LYS A 47 1.254 -9.683 11.808 1.00 0.00 C ATOM 719 NZ LYS A 47 0.028 -9.215 12.515 1.00 0.00 N ATOM 0 H LYS A 47 5.825 -8.313 14.563 1.00 0.00 H new ATOM 0 HA LYS A 47 5.251 -9.600 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.008 -7.242 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.448 -7.913 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.607 -9.648 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.243 -8.575 14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.091 -10.732 12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.871 -10.955 13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.669 -8.860 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.984 -10.468 11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.795 -9.317 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.117 -9.785 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.140 -8.215 12.779 1.00 0.00 H new ATOM 733 N VAL A 48 6.234 -7.866 10.472 1.00 0.00 N ATOM 734 CA VAL A 48 7.046 -7.067 9.542 1.00 0.00 C ATOM 735 C VAL A 48 6.228 -6.606 8.323 1.00 0.00 C ATOM 736 O VAL A 48 5.356 -7.353 7.865 1.00 0.00 O ATOM 737 CB VAL A 48 8.306 -7.830 9.079 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.284 -8.039 10.246 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.008 -9.189 8.430 1.00 0.00 C ATOM 0 H VAL A 48 5.687 -8.584 9.996 1.00 0.00 H new ATOM 0 HA VAL A 48 7.367 -6.183 10.093 1.00 0.00 H new ATOM 0 HB VAL A 48 8.755 -7.197 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.162 -8.579 9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.589 -7.071 10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.795 -8.616 11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.943 -9.663 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.489 -9.828 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.379 -9.043 7.552 1.00 0.00 H new ATOM 749 N PRO A 49 6.468 -5.391 7.789 1.00 0.00 N ATOM 750 CA PRO A 49 5.776 -4.884 6.605 1.00 0.00 C ATOM 751 C PRO A 49 6.418 -5.389 5.302 1.00 0.00 C ATOM 752 O PRO A 49 7.621 -5.235 5.082 1.00 0.00 O ATOM 753 CB PRO A 49 5.856 -3.357 6.713 1.00 0.00 C ATOM 754 CG PRO A 49 7.175 -3.126 7.452 1.00 0.00 C ATOM 755 CD PRO A 49 7.291 -4.339 8.377 1.00 0.00 C ATOM 0 HA PRO A 49 4.745 -5.235 6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.857 -2.884 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.009 -2.948 7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.016 -3.068 6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.160 -2.193 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.328 -4.662 8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.947 -4.094 9.382 1.00 0.00 H new ATOM 763 N HIS A 50 5.611 -5.957 4.403 1.00 0.00 N ATOM 764 CA HIS A 50 6.013 -6.318 3.035 1.00 0.00 C ATOM 765 C HIS A 50 5.625 -5.199 2.083 1.00 0.00 C ATOM 766 O HIS A 50 4.467 -5.122 1.699 1.00 0.00 O ATOM 767 CB HIS A 50 5.392 -7.669 2.632 1.00 0.00 C ATOM 768 CG HIS A 50 6.104 -8.871 3.206 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.115 -10.152 2.648 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.846 -8.885 4.349 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.861 -10.906 3.473 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.329 -10.166 4.494 1.00 0.00 N ATOM 0 H HIS A 50 4.638 -6.185 4.607 1.00 0.00 H new ATOM 0 HA HIS A 50 7.095 -6.440 2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.351 -7.689 2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.390 -7.746 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.021 -8.052 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.057 -11.959 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.936 -10.496 5.245 1.00 0.00 H new ATOM 780 N TRP A 51 6.568 -4.317 1.747 1.00 0.00 N ATOM 781 CA TRP A 51 6.333 -3.125 0.927 1.00 0.00 C ATOM 782 C TRP A 51 6.245 -3.451 -0.571 1.00 0.00 C ATOM 783 O TRP A 51 7.045 -4.209 -1.109 1.00 0.00 O ATOM 784 CB TRP A 51 7.464 -2.113 1.150 1.00 0.00 C ATOM 785 CG TRP A 51 7.556 -1.537 2.528 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.416 -1.919 3.498 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.740 -0.477 3.112 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.181 -1.181 4.642 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.124 -0.311 4.475 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.682 0.328 2.638 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.465 0.576 5.338 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.000 1.206 3.501 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.387 1.331 4.848 1.00 0.00 C ATOM 0 H TRP A 51 7.539 -4.413 2.044 1.00 0.00 H new ATOM 0 HA TRP A 51 5.375 -2.708 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.412 -2.597 0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.339 -1.294 0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.171 -2.684 3.395 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.722 -1.269 5.503 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.392 0.269 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.782 0.677 6.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.172 1.789 3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.856 2.006 5.503 1.00 0.00 H new ATOM 804 N TYR A 52 5.328 -2.809 -1.280 1.00 0.00 N ATOM 805 CA TYR A 52 5.240 -2.841 -2.736 1.00 0.00 C ATOM 806 C TYR A 52 4.852 -1.447 -3.264 1.00 0.00 C ATOM 807 O TYR A 52 4.307 -0.619 -2.526 1.00 0.00 O ATOM 808 CB TYR A 52 4.258 -3.926 -3.229 1.00 0.00 C ATOM 809 CG TYR A 52 4.017 -5.198 -2.420 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.266 -5.182 -1.223 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.431 -6.433 -2.955 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.958 -6.391 -0.558 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.104 -7.640 -2.309 1.00 0.00 C ATOM 814 CZ TYR A 52 3.378 -7.623 -1.102 1.00 0.00 C ATOM 815 OH TYR A 52 3.090 -8.798 -0.478 1.00 0.00 O ATOM 0 H TYR A 52 4.604 -2.235 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 52 6.220 -3.107 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.289 -3.443 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.596 -4.236 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.926 -4.242 -0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.005 -6.454 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.401 -6.371 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.411 -8.582 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 52 3.458 -9.543 -0.998 1.00 0.00 H new ATOM 825 N HIS A 53 5.100 -1.172 -4.550 1.00 0.00 N ATOM 826 CA HIS A 53 4.523 0.011 -5.219 1.00 0.00 C ATOM 827 C HIS A 53 2.984 0.011 -5.104 1.00 0.00 C ATOM 828 O HIS A 53 2.369 -1.047 -4.940 1.00 0.00 O ATOM 829 CB HIS A 53 4.915 0.066 -6.707 1.00 0.00 C ATOM 830 CG HIS A 53 6.391 0.177 -7.012 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.218 -0.810 -7.557 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.121 1.325 -6.884 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.419 -0.237 -7.740 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.389 1.046 -7.347 1.00 0.00 N ATOM 0 H HIS A 53 5.693 -1.746 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 53 4.927 0.889 -4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.533 -0.831 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.408 0.917 -7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.771 2.270 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.286 -0.738 -8.146 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.170 1.701 -7.384 1.00 0.00 H new ATOM 842 N PHE A 54 2.349 1.183 -5.242 1.00 0.00 N ATOM 843 CA PHE A 54 0.884 1.316 -5.185 1.00 0.00 C ATOM 844 C PHE A 54 0.150 0.316 -6.100 1.00 0.00 C ATOM 845 O PHE A 54 -0.800 -0.322 -5.656 1.00 0.00 O ATOM 846 CB PHE A 54 0.478 2.754 -5.548 1.00 0.00 C ATOM 847 CG PHE A 54 -1.000 2.905 -5.878 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.973 2.908 -4.857 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.408 2.950 -7.226 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.342 2.938 -5.188 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.775 2.967 -7.554 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.738 2.943 -6.534 1.00 0.00 C ATOM 0 H PHE A 54 2.835 2.066 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 54 0.584 1.085 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.725 3.413 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.068 3.084 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.668 2.887 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.667 2.972 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.087 2.957 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.083 2.998 -8.589 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.788 2.928 -6.786 1.00 0.00 H new ATOM 862 N SER A 55 0.595 0.144 -7.353 1.00 0.00 N ATOM 863 CA SER A 55 -0.031 -0.768 -8.318 1.00 0.00 C ATOM 864 C SER A 55 0.334 -2.230 -8.046 1.00 0.00 C ATOM 865 O SER A 55 -0.514 -3.114 -8.173 1.00 0.00 O ATOM 866 CB SER A 55 0.356 -0.367 -9.746 1.00 0.00 C ATOM 867 OG SER A 55 1.767 -0.352 -9.898 1.00 0.00 O ATOM 0 H SER A 55 1.405 0.638 -7.727 1.00 0.00 H new ATOM 0 HA SER A 55 -1.112 -0.683 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.084 -1.066 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.050 0.618 -9.975 1.00 0.00 H new ATOM 0 HG SER A 55 1.994 -0.096 -10.816 1.00 0.00 H new ATOM 873 N CYS A 56 1.575 -2.488 -7.621 1.00 0.00 N ATOM 874 CA CYS A 56 2.105 -3.816 -7.346 1.00 0.00 C ATOM 875 C CYS A 56 1.318 -4.587 -6.274 1.00 0.00 C ATOM 876 O CYS A 56 1.085 -5.781 -6.444 1.00 0.00 O ATOM 877 CB CYS A 56 3.589 -3.679 -7.013 1.00 0.00 C ATOM 878 SG CYS A 56 4.566 -3.187 -8.492 1.00 0.00 S ATOM 0 H CYS A 56 2.257 -1.748 -7.455 1.00 0.00 H new ATOM 0 HA CYS A 56 1.987 -4.430 -8.239 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.720 -2.937 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.965 -4.625 -6.625 1.00 0.00 H new ATOM 883 N PHE A 57 0.811 -3.909 -5.243 1.00 0.00 N ATOM 884 CA PHE A 57 -0.107 -4.485 -4.252 1.00 0.00 C ATOM 885 C PHE A 57 -1.310 -5.192 -4.909 1.00 0.00 C ATOM 886 O PHE A 57 -1.662 -6.316 -4.544 1.00 0.00 O ATOM 887 CB PHE A 57 -0.575 -3.359 -3.325 1.00 0.00 C ATOM 888 CG PHE A 57 -1.581 -3.810 -2.288 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.936 -3.946 -2.645 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.168 -4.127 -0.981 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.874 -4.401 -1.706 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.113 -4.554 -0.032 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.465 -4.694 -0.395 1.00 0.00 C ATOM 0 H PHE A 57 1.029 -2.928 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 57 0.421 -5.251 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.291 -2.933 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.016 -2.564 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.255 -3.699 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.127 -4.042 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.908 -4.526 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.801 -4.775 0.978 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.188 -5.027 0.335 1.00 0.00 H new ATOM 903 N TRP A 58 -1.923 -4.563 -5.915 1.00 0.00 N ATOM 904 CA TRP A 58 -3.086 -5.108 -6.624 1.00 0.00 C ATOM 905 C TRP A 58 -2.683 -6.152 -7.677 1.00 0.00 C ATOM 906 O TRP A 58 -3.461 -7.065 -7.960 1.00 0.00 O ATOM 907 CB TRP A 58 -3.906 -3.967 -7.235 1.00 0.00 C ATOM 908 CG TRP A 58 -4.183 -2.817 -6.307 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.437 -1.696 -6.245 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.212 -2.659 -5.277 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.881 -0.883 -5.223 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.979 -1.423 -4.592 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.319 -3.427 -4.850 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.793 -0.981 -3.538 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -7.134 -2.994 -3.789 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.866 -1.782 -3.131 1.00 0.00 C ATOM 0 H TRP A 58 -1.624 -3.653 -6.264 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.711 -5.633 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.379 -3.589 -8.111 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.857 -4.369 -7.585 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.610 -1.467 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.450 0.006 -4.967 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.542 -4.360 -5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.595 -0.039 -3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.973 -3.598 -3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.490 -1.467 -2.308 1.00 0.00 H new ATOM 927 N LYS A 59 -1.444 -6.092 -8.193 1.00 0.00 N ATOM 928 CA LYS A 59 -0.857 -7.120 -9.076 1.00 0.00 C ATOM 929 C LYS A 59 -0.474 -8.396 -8.312 1.00 0.00 C ATOM 930 O LYS A 59 -0.331 -9.449 -8.933 1.00 0.00 O ATOM 931 CB LYS A 59 0.336 -6.545 -9.866 1.00 0.00 C ATOM 932 CG LYS A 59 -0.076 -5.438 -10.861 1.00 0.00 C ATOM 933 CD LYS A 59 1.101 -4.830 -11.649 1.00 0.00 C ATOM 934 CE LYS A 59 2.083 -4.150 -10.692 1.00 0.00 C ATOM 935 NZ LYS A 59 3.175 -3.398 -11.352 1.00 0.00 N ATOM 0 H LYS A 59 -0.810 -5.315 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.625 -7.412 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.068 -6.142 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.826 -7.352 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.798 -5.849 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.582 -4.643 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.612 -5.610 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.728 -4.106 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.528 -3.467 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.523 -4.909 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.889 -3.131 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.616 -3.994 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.788 -2.540 -11.794 1.00 0.00 H new ATOM 949 N VAL A 60 -0.357 -8.342 -6.978 1.00 0.00 N ATOM 950 CA VAL A 60 -0.282 -9.548 -6.115 1.00 0.00 C ATOM 951 C VAL A 60 -1.653 -10.249 -5.998 1.00 0.00 C ATOM 952 O VAL A 60 -1.716 -11.435 -5.668 1.00 0.00 O ATOM 953 CB VAL A 60 0.316 -9.188 -4.735 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.380 -10.354 -3.739 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.754 -8.682 -4.870 1.00 0.00 C ATOM 0 H VAL A 60 -0.311 -7.465 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 60 0.389 -10.267 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.367 -8.428 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.813 -10.008 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.626 -10.732 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.998 -11.151 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.148 -8.437 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.371 -9.457 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.769 -7.791 -5.498 1.00 0.00 H new ATOM 965 N GLY A 61 -2.751 -9.561 -6.336 1.00 0.00 N ATOM 966 CA GLY A 61 -4.111 -10.116 -6.394 1.00 0.00 C ATOM 967 C GLY A 61 -4.981 -9.860 -5.155 1.00 0.00 C ATOM 968 O GLY A 61 -6.059 -10.449 -5.037 1.00 0.00 O ATOM 0 H GLY A 61 -2.717 -8.572 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.618 -9.700 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.039 -11.192 -6.550 1.00 0.00 H new ATOM 972 N HIS A 62 -4.547 -8.993 -4.233 1.00 0.00 N ATOM 973 CA HIS A 62 -5.350 -8.573 -3.072 1.00 0.00 C ATOM 974 C HIS A 62 -6.523 -7.667 -3.476 1.00 0.00 C ATOM 975 O HIS A 62 -6.438 -6.902 -4.440 1.00 0.00 O ATOM 976 CB HIS A 62 -4.462 -7.886 -2.023 1.00 0.00 C ATOM 977 CG HIS A 62 -3.543 -8.847 -1.316 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.885 -9.641 -0.215 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.253 -9.108 -1.667 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.787 -10.363 0.069 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.798 -10.073 -0.796 1.00 0.00 N ATOM 0 H HIS A 62 -3.625 -8.559 -4.269 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.780 -9.472 -2.631 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.867 -7.112 -2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.095 -7.388 -1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.696 -8.649 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.710 -11.075 0.877 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.870 -10.496 -0.805 1.00 0.00 H new ATOM 989 N SER A 63 -7.612 -7.735 -2.706 1.00 0.00 N ATOM 990 CA SER A 63 -8.793 -6.869 -2.824 1.00 0.00 C ATOM 991 C SER A 63 -9.335 -6.547 -1.430 1.00 0.00 C ATOM 992 O SER A 63 -9.406 -7.426 -0.566 1.00 0.00 O ATOM 993 CB SER A 63 -9.867 -7.542 -3.678 1.00 0.00 C ATOM 994 OG SER A 63 -10.906 -6.617 -3.949 1.00 0.00 O ATOM 0 H SER A 63 -7.701 -8.419 -1.955 1.00 0.00 H new ATOM 0 HA SER A 63 -8.506 -5.939 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.433 -7.900 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.267 -8.412 -3.158 1.00 0.00 H new ATOM 0 HG SER A 63 -11.593 -7.049 -4.498 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.674 -5.281 -1.189 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.822 -4.707 0.155 1.00 0.00 C ATOM 1002 C ILE A 64 -11.293 -4.358 0.387 1.00 0.00 C ATOM 1003 O ILE A 64 -11.899 -3.604 -0.377 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.871 -3.502 0.339 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.430 -3.810 -0.130 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.870 -3.062 1.808 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.447 -2.659 0.108 1.00 0.00 C ATOM 0 H ILE A 64 -9.858 -4.610 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.532 -5.434 0.914 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.243 -2.692 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.070 -4.698 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.446 -4.048 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.198 -2.213 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.879 -2.773 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.532 -3.887 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.457 -2.947 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.783 -1.775 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.401 -2.435 1.174 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.879 -4.945 1.434 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.338 -4.986 1.654 1.00 0.00 C ATOM 1021 C ARG A 65 -13.861 -3.817 2.502 1.00 0.00 C ATOM 1022 O ARG A 65 -15.035 -3.459 2.405 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.774 -6.376 2.181 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.829 -7.035 3.207 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.707 -7.864 2.548 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.512 -7.919 3.406 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.290 -8.301 3.094 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -8.924 -8.681 1.907 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.376 -8.266 4.012 1.00 0.00 N ATOM 0 H ARG A 65 -11.349 -5.415 2.168 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.816 -4.845 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.760 -6.278 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.881 -7.049 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.382 -6.261 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.410 -7.680 3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.065 -8.875 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.446 -7.427 1.584 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.648 -7.621 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.602 -8.696 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.959 -8.964 1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.610 -7.948 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.423 -8.557 3.794 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.978 -3.195 3.281 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.184 -1.934 4.013 1.00 0.00 C ATOM 1045 C HIS A 66 -11.828 -1.235 4.235 1.00 0.00 C ATOM 1046 O HIS A 66 -11.201 -1.406 5.284 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.993 -2.142 5.317 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.669 -3.306 6.236 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.665 -4.220 6.106 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -14.410 -3.633 7.378 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.779 -5.100 7.160 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.830 -4.724 7.907 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.043 -3.575 3.431 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.800 -1.269 3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.899 -1.229 5.905 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -15.042 -2.234 5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -15.276 -3.112 7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.135 -5.945 7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.143 -5.198 8.754 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.314 -0.483 3.241 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.930 -0.010 3.255 1.00 0.00 C ATOM 1062 C PRO A 67 -9.627 1.017 4.348 1.00 0.00 C ATOM 1063 O PRO A 67 -8.528 1.008 4.887 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.662 0.552 1.852 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.055 0.933 1.363 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.940 -0.151 1.969 1.00 0.00 C ATOM 0 HA PRO A 67 -9.264 -0.838 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.995 1.414 1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.195 -0.189 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.344 1.927 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.113 0.939 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.960 0.207 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.997 -1.023 1.318 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.593 1.836 4.764 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.414 2.763 5.889 1.00 0.00 C ATOM 1076 C ASP A 68 -10.352 2.053 7.260 1.00 0.00 C ATOM 1077 O ASP A 68 -10.006 2.679 8.265 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.465 3.881 5.825 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.903 3.350 5.834 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.430 3.076 4.729 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.504 3.219 6.925 1.00 0.00 O ATOM 0 H ASP A 68 -11.518 1.878 4.336 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.433 3.227 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.326 4.552 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.306 4.470 4.922 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.649 0.745 7.300 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.478 -0.128 8.471 1.00 0.00 C ATOM 1088 C VAL A 69 -9.160 -0.913 8.393 1.00 0.00 C ATOM 1089 O VAL A 69 -8.438 -1.009 9.384 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.678 -1.089 8.625 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.579 -1.934 9.901 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -13.010 -0.329 8.668 1.00 0.00 C ATOM 0 H VAL A 69 -11.027 0.250 6.492 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.437 0.509 9.354 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.647 -1.740 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.443 -2.595 9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.667 -2.531 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.556 -1.278 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.830 -1.038 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.010 0.358 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.138 0.234 7.743 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.831 -1.469 7.221 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.709 -2.415 7.053 1.00 0.00 C ATOM 1104 C GLU A 70 -6.387 -1.793 6.592 1.00 0.00 C ATOM 1105 O GLU A 70 -5.326 -2.306 6.948 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.105 -3.511 6.051 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.204 -4.435 6.583 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.602 -5.500 5.544 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -9.908 -5.151 4.380 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.648 -6.703 5.895 1.00 0.00 O ATOM 0 H GLU A 70 -9.335 -1.278 6.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.525 -2.812 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.445 -3.045 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.225 -4.105 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.859 -4.925 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.079 -3.843 6.852 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.440 -0.712 5.814 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.275 0.019 5.303 1.00 0.00 C ATOM 1119 C VAL A 71 -4.860 1.069 6.323 1.00 0.00 C ATOM 1120 O VAL A 71 -5.371 2.187 6.383 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.531 0.600 3.912 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.202 1.092 3.367 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.035 -0.478 2.947 1.00 0.00 C ATOM 0 H VAL A 71 -7.325 -0.305 5.510 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.443 -0.672 5.171 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.275 1.392 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.350 1.514 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.798 1.858 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.502 0.258 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.208 -0.036 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.289 -1.268 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.967 -0.898 3.325 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.886 0.687 7.132 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.149 1.587 8.005 1.00 0.00 C ATOM 1135 C ASP A 72 -2.399 2.657 7.190 1.00 0.00 C ATOM 1136 O ASP A 72 -1.941 2.410 6.079 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.233 0.705 8.847 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.257 1.500 9.711 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.686 2.415 10.444 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.038 1.216 9.637 1.00 0.00 O ATOM 0 H ASP A 72 -3.578 -0.283 7.202 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.808 2.157 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.842 0.070 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.669 0.045 8.188 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.312 3.881 7.701 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.694 5.011 6.995 1.00 0.00 C ATOM 1147 C GLY A 73 -2.567 5.636 5.898 1.00 0.00 C ATOM 1148 O GLY A 73 -2.188 6.654 5.323 1.00 0.00 O ATOM 0 H GLY A 73 -2.670 4.124 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.441 5.782 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.758 4.675 6.548 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.784 5.131 5.671 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.805 5.803 4.853 1.00 0.00 C ATOM 1154 C PHE A 74 -5.100 7.226 5.369 1.00 0.00 C ATOM 1155 O PHE A 74 -5.314 8.148 4.582 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.055 4.912 4.858 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.239 5.425 4.065 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.318 5.183 2.680 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.290 6.097 4.721 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.451 5.596 1.960 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.421 6.512 3.997 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.506 6.251 2.620 1.00 0.00 C ATOM 0 H PHE A 74 -4.093 4.237 6.052 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.449 5.934 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.780 3.932 4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.370 4.768 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.508 4.680 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.226 6.293 5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.512 5.410 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.224 7.031 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.383 6.554 2.067 1.00 0.00 H new ATOM 1172 N SER A 75 -5.003 7.437 6.684 1.00 0.00 N ATOM 1173 CA SER A 75 -5.112 8.749 7.350 1.00 0.00 C ATOM 1174 C SER A 75 -3.892 9.670 7.146 1.00 0.00 C ATOM 1175 O SER A 75 -3.967 10.861 7.447 1.00 0.00 O ATOM 1176 CB SER A 75 -5.342 8.548 8.854 1.00 0.00 C ATOM 1177 OG SER A 75 -6.454 7.693 9.084 1.00 0.00 O ATOM 0 H SER A 75 -4.841 6.675 7.343 1.00 0.00 H new ATOM 0 HA SER A 75 -5.959 9.250 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.449 8.121 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.514 9.512 9.332 1.00 0.00 H new ATOM 0 HG SER A 75 -6.583 7.576 10.048 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.770 9.148 6.636 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.547 9.906 6.310 1.00 0.00 C ATOM 1185 C GLU A 76 -1.546 10.418 4.849 1.00 0.00 C ATOM 1186 O GLU A 76 -0.714 11.253 4.484 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.292 9.048 6.593 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.165 8.569 8.053 1.00 0.00 C ATOM 1189 CD GLU A 76 0.956 7.525 8.241 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.029 7.620 7.602 1.00 0.00 O ATOM 1191 OE2 GLU A 76 0.779 6.558 9.019 1.00 0.00 O ATOM 0 H GLU A 76 -2.681 8.153 6.430 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.527 10.786 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.307 8.177 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.595 9.627 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.031 9.426 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.114 8.139 8.374 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.481 9.942 4.014 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.707 10.398 2.636 1.00 0.00 C ATOM 1200 C LEU A 77 -3.528 11.702 2.567 1.00 0.00 C ATOM 1201 O LEU A 77 -4.266 12.046 3.495 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.455 9.303 1.852 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.730 7.966 1.644 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.662 7.046 0.850 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.417 8.117 0.884 1.00 0.00 C ATOM 0 H LEU A 77 -3.125 9.201 4.291 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.728 10.597 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.394 9.101 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.710 9.705 0.871 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.486 7.556 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.173 6.086 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.585 6.892 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.893 7.504 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.950 7.139 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.613 8.545 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.748 8.775 1.440 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.472 12.379 1.411 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.450 13.409 1.009 1.00 0.00 C ATOM 1219 C ARG A 78 -5.765 12.790 0.534 1.00 0.00 C ATOM 1220 O ARG A 78 -5.806 11.640 0.095 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.851 14.329 -0.076 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.971 15.445 0.507 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.816 16.509 1.228 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.976 17.607 1.751 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.587 18.698 1.113 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.911 18.938 -0.126 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.849 19.583 1.720 1.00 0.00 N ATOM 0 H ARG A 78 -2.739 12.227 0.718 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.676 14.011 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.259 13.730 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.660 14.776 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.252 15.016 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.398 15.914 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.558 16.914 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.363 16.045 2.049 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.660 17.512 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.486 18.271 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.590 19.793 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.570 19.435 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.550 20.424 1.226 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.831 13.592 0.561 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.183 13.197 0.147 1.00 0.00 C ATOM 1243 C TRP A 79 -8.237 12.604 -1.276 1.00 0.00 C ATOM 1244 O TRP A 79 -8.969 11.643 -1.517 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.135 14.398 0.321 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.193 14.566 -0.728 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.436 14.033 -0.718 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.080 15.291 -1.989 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.097 14.381 -1.883 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.305 15.154 -2.708 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.049 16.033 -2.601 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.499 15.734 -3.971 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.226 16.608 -3.873 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.448 16.464 -4.558 1.00 0.00 C ATOM 0 H TRP A 79 -6.779 14.560 0.879 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.512 12.384 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.626 14.308 1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.536 15.308 0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.849 13.429 0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.052 14.101 -2.105 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.109 16.162 -2.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.442 15.622 -4.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.419 17.164 -4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.579 16.913 -5.532 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.421 13.113 -2.206 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.392 12.633 -3.594 1.00 0.00 C ATOM 1267 C ASP A 80 -6.772 11.229 -3.742 1.00 0.00 C ATOM 1268 O ASP A 80 -7.155 10.467 -4.628 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.684 13.650 -4.495 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.880 13.308 -5.984 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.041 13.076 -6.404 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.878 13.296 -6.740 1.00 0.00 O ATOM 0 H ASP A 80 -6.762 13.869 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.429 12.535 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.072 14.649 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.620 13.668 -4.261 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.834 10.862 -2.866 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.242 9.528 -2.820 1.00 0.00 C ATOM 1279 C ASP A 81 -6.116 8.578 -2.003 1.00 0.00 C ATOM 1280 O ASP A 81 -6.283 7.435 -2.413 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.807 9.596 -2.291 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.870 10.251 -3.310 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.660 9.655 -4.393 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.332 11.344 -3.020 1.00 0.00 O ATOM 0 H ASP A 81 -5.460 11.495 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.194 9.127 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.787 10.161 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.453 8.591 -2.062 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.766 9.048 -0.930 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.795 8.291 -0.214 1.00 0.00 C ATOM 1291 C GLN A 82 -8.924 7.854 -1.153 1.00 0.00 C ATOM 1292 O GLN A 82 -9.198 6.661 -1.254 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.377 9.138 0.929 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.418 9.266 2.116 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.951 10.163 3.233 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.908 10.917 3.091 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.336 10.135 4.393 1.00 0.00 N ATOM 0 H GLN A 82 -6.589 9.971 -0.534 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.324 7.397 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.618 10.132 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.311 8.690 1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.218 8.274 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.466 9.664 1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.538 9.515 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.656 10.733 5.155 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.526 8.772 -1.919 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.635 8.419 -2.816 1.00 0.00 C ATOM 1308 C GLN A 83 -10.202 7.500 -3.969 1.00 0.00 C ATOM 1309 O GLN A 83 -10.996 6.678 -4.417 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.379 9.678 -3.301 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.612 10.542 -4.319 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.324 11.855 -4.662 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.471 12.101 -4.307 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.694 12.757 -5.387 1.00 0.00 N ATOM 0 H GLN A 83 -9.267 9.758 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.344 7.831 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.325 9.372 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.621 10.294 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.623 10.767 -3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.464 9.968 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.738 12.584 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.162 13.628 -5.636 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.935 7.558 -4.401 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.345 6.715 -5.436 1.00 0.00 C ATOM 1325 C LYS A 84 -8.007 5.339 -4.872 1.00 0.00 C ATOM 1326 O LYS A 84 -8.264 4.347 -5.543 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.151 7.496 -6.011 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.275 6.754 -7.027 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.125 5.967 -6.377 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.125 6.786 -5.546 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.467 7.868 -6.324 1.00 0.00 N ATOM 0 H LYS A 84 -8.267 8.227 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.033 6.503 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.531 8.401 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.519 7.812 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.898 6.067 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.860 7.473 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.556 5.199 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.575 5.452 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.644 7.224 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.362 6.118 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.923 8.477 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.826 7.449 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.191 8.436 -6.810 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.523 5.249 -3.631 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.318 3.961 -2.932 1.00 0.00 C ATOM 1347 C VAL A 85 -8.666 3.275 -2.688 1.00 0.00 C ATOM 1348 O VAL A 85 -8.798 2.090 -2.985 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.524 4.146 -1.616 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.522 2.903 -0.711 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.053 4.469 -1.909 1.00 0.00 C ATOM 0 H VAL A 85 -7.260 6.063 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.716 3.315 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.032 4.962 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.946 3.110 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.546 2.651 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.072 2.065 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.514 4.595 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.607 3.652 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.991 5.390 -2.489 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.699 4.013 -2.254 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.061 3.470 -2.107 1.00 0.00 C ATOM 1363 C LYS A 86 -11.661 3.045 -3.451 1.00 0.00 C ATOM 1364 O LYS A 86 -12.178 1.933 -3.540 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.989 4.439 -1.351 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.544 4.640 0.112 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.669 5.019 1.092 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.682 3.878 1.238 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.586 4.066 2.402 1.00 0.00 N ATOM 0 H LYS A 86 -9.617 4.996 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.974 2.569 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.002 5.402 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.009 4.054 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.073 3.721 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.782 5.419 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.242 5.257 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.176 5.917 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.277 3.806 0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.148 2.934 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.506 3.625 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.166 3.622 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.720 5.082 2.577 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.516 3.839 -4.520 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.989 3.442 -5.864 1.00 0.00 C ATOM 1385 C LYS A 87 -11.214 2.246 -6.417 1.00 0.00 C ATOM 1386 O LYS A 87 -11.825 1.367 -7.015 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.999 4.629 -6.849 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.393 5.271 -6.986 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.946 5.886 -5.687 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.399 6.362 -5.819 1.00 0.00 C ATOM 1391 NZ LYS A 87 -16.342 5.233 -6.021 1.00 0.00 N ATOM 0 H LYS A 87 -11.077 4.759 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.024 3.120 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.287 5.383 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.662 4.287 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.347 6.048 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.093 4.515 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.883 5.149 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.319 6.728 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.682 6.914 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.478 7.054 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.312 5.550 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.283 4.903 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.093 4.453 -5.379 1.00 0.00 H new ATOM 1405 N THR A 88 -9.913 2.140 -6.150 1.00 0.00 N ATOM 1406 CA THR A 88 -9.093 0.980 -6.528 1.00 0.00 C ATOM 1407 C THR A 88 -9.476 -0.279 -5.741 1.00 0.00 C ATOM 1408 O THR A 88 -9.467 -1.375 -6.302 1.00 0.00 O ATOM 1409 CB THR A 88 -7.598 1.287 -6.380 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.273 2.432 -7.136 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.744 0.172 -6.964 1.00 0.00 C ATOM 0 H THR A 88 -9.388 2.864 -5.659 1.00 0.00 H new ATOM 0 HA THR A 88 -9.296 0.776 -7.579 1.00 0.00 H new ATOM 0 HB THR A 88 -7.406 1.414 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.556 3.235 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.689 0.420 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.959 -0.761 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.971 0.057 -8.024 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.903 -0.140 -4.482 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.397 -1.237 -3.659 1.00 0.00 C ATOM 1421 C ALA A 89 -11.785 -1.706 -4.127 1.00 0.00 C ATOM 1422 O ALA A 89 -12.040 -2.909 -4.195 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.403 -0.775 -2.201 1.00 0.00 C ATOM 0 H ALA A 89 -9.913 0.759 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.742 -2.103 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.770 -1.581 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.390 -0.508 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.054 0.093 -2.097 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.655 -0.775 -4.541 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.937 -1.104 -5.181 1.00 0.00 C ATOM 1431 C GLU A 90 -13.750 -1.761 -6.561 1.00 0.00 C ATOM 1432 O GLU A 90 -14.497 -2.667 -6.936 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.817 0.149 -5.322 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.359 0.656 -3.981 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.301 1.856 -4.188 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.820 2.969 -4.514 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.537 1.699 -4.036 1.00 0.00 O ATOM 0 H GLU A 90 -12.491 0.227 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.433 -1.824 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.238 0.941 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.653 -0.074 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.893 -0.147 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.530 0.946 -3.335 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.726 -1.329 -7.302 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.345 -1.840 -8.616 1.00 0.00 C ATOM 1446 C ALA A 91 -11.596 -3.193 -8.569 1.00 0.00 C ATOM 1447 O ALA A 91 -11.504 -3.883 -9.588 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.500 -0.745 -9.282 1.00 0.00 C ATOM 0 H ALA A 91 -12.113 -0.578 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.244 -2.059 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.188 -1.078 -10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.092 0.165 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.619 -0.544 -8.672 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.062 -3.584 -7.404 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.227 -4.779 -7.231 1.00 0.00 C ATOM 1456 C GLY A 92 -8.843 -4.666 -7.890 1.00 0.00 C ATOM 1457 O GLY A 92 -8.303 -5.672 -8.356 1.00 0.00 O ATOM 0 H GLY A 92 -11.202 -3.066 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.098 -4.970 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.749 -5.640 -7.648 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.288 -3.450 -7.972 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.051 -3.119 -8.677 1.00 0.00 C ATOM 1463 C GLY A 93 -7.264 -2.208 -9.890 1.00 0.00 C ATOM 1464 O GLY A 93 -8.321 -2.212 -10.525 1.00 0.00 O ATOM 0 H GLY A 93 -8.711 -2.636 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.366 -2.632 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.571 -4.041 -9.005 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.234 -1.421 -10.204 1.00 0.00 N ATOM 1469 CA VAL A 94 -6.176 -0.513 -11.366 1.00 0.00 C ATOM 1470 C VAL A 94 -4.777 -0.490 -11.998 1.00 0.00 C ATOM 1471 O VAL A 94 -3.766 -0.602 -11.301 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.665 0.902 -10.978 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.650 1.709 -10.159 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -7.060 1.726 -12.210 1.00 0.00 C ATOM 0 H VAL A 94 -5.384 -1.392 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.853 -0.896 -12.129 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.537 0.722 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.067 2.689 -9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.428 1.180 -9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.733 1.832 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.398 2.713 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.198 1.831 -12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.865 1.220 -12.743 1.00 0.00 H new ATOM 1484 N THR A 95 -4.721 -0.335 -13.323 1.00 0.00 N ATOM 1485 CA THR A 95 -3.492 -0.218 -14.132 1.00 0.00 C ATOM 1486 C THR A 95 -3.668 0.811 -15.259 1.00 0.00 C ATOM 1487 O THR A 95 -4.790 1.105 -15.683 1.00 0.00 O ATOM 1488 CB THR A 95 -3.062 -1.573 -14.733 1.00 0.00 C ATOM 1489 OG1 THR A 95 -4.107 -2.147 -15.493 1.00 0.00 O ATOM 1490 CG2 THR A 95 -2.657 -2.590 -13.663 1.00 0.00 C ATOM 0 H THR A 95 -5.566 -0.285 -13.893 1.00 0.00 H new ATOM 0 HA THR A 95 -2.706 0.120 -13.456 1.00 0.00 H new ATOM 0 HB THR A 95 -2.200 -1.353 -15.363 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.809 -3.004 -15.864 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.364 -3.524 -14.142 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.818 -2.198 -13.088 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.500 -2.772 -12.997 1.00 0.00 H new ATOM 1498 N GLY A 96 -2.561 1.384 -15.747 1.00 0.00 N ATOM 1499 CA GLY A 96 -2.558 2.392 -16.816 1.00 0.00 C ATOM 1500 C GLY A 96 -1.194 3.062 -17.029 1.00 0.00 C ATOM 1501 O GLY A 96 -0.213 2.737 -16.352 1.00 0.00 O ATOM 0 H GLY A 96 -1.627 1.157 -15.405 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.871 1.921 -17.748 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.297 3.159 -16.582 1.00 0.00 H new ATOM 1505 N LYS A 97 -1.134 4.011 -17.973 1.00 0.00 N ATOM 1506 CA LYS A 97 0.063 4.819 -18.277 1.00 0.00 C ATOM 1507 C LYS A 97 0.301 5.913 -17.224 1.00 0.00 C ATOM 1508 O LYS A 97 -0.647 6.426 -16.622 1.00 0.00 O ATOM 1509 CB LYS A 97 -0.045 5.426 -19.690 1.00 0.00 C ATOM 1510 CG LYS A 97 -0.072 4.352 -20.792 1.00 0.00 C ATOM 1511 CD LYS A 97 -0.045 4.943 -22.211 1.00 0.00 C ATOM 1512 CE LYS A 97 -1.306 5.762 -22.526 1.00 0.00 C ATOM 1513 NZ LYS A 97 -1.289 6.274 -23.922 1.00 0.00 N ATOM 0 H LYS A 97 -1.933 4.246 -18.562 1.00 0.00 H new ATOM 0 HA LYS A 97 0.927 4.155 -18.247 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.950 6.031 -19.754 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.798 6.095 -19.860 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.783 3.688 -20.665 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.968 3.743 -20.676 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.834 5.577 -22.321 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.052 4.135 -22.937 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.190 5.143 -22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.381 6.599 -21.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.154 6.822 -24.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.458 6.884 -24.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.243 5.474 -24.585 1.00 0.00 H new ATOM 1527 N GLY A 98 1.565 6.291 -17.024 1.00 0.00 N ATOM 1528 CA GLY A 98 1.984 7.330 -16.074 1.00 0.00 C ATOM 1529 C GLY A 98 3.504 7.426 -15.900 1.00 0.00 C ATOM 1530 O GLY A 98 4.270 6.721 -16.563 1.00 0.00 O ATOM 0 H GLY A 98 2.347 5.874 -17.529 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.604 8.294 -16.412 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.528 7.129 -15.105 1.00 0.00 H new ATOM 1534 N GLN A 99 3.941 8.309 -14.999 1.00 0.00 N ATOM 1535 CA GLN A 99 5.349 8.516 -14.633 1.00 0.00 C ATOM 1536 C GLN A 99 5.924 7.329 -13.832 1.00 0.00 C ATOM 1537 O GLN A 99 5.185 6.554 -13.215 1.00 0.00 O ATOM 1538 CB GLN A 99 5.507 9.833 -13.845 1.00 0.00 C ATOM 1539 CG GLN A 99 5.154 11.108 -14.639 1.00 0.00 C ATOM 1540 CD GLN A 99 3.658 11.417 -14.772 1.00 0.00 C ATOM 1541 OE1 GLN A 99 2.785 10.802 -14.171 1.00 0.00 O ATOM 1542 NE2 GLN A 99 3.296 12.399 -15.572 1.00 0.00 N ATOM 0 H GLN A 99 3.306 8.921 -14.486 1.00 0.00 H new ATOM 0 HA GLN A 99 5.922 8.583 -15.558 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.875 9.787 -12.958 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.537 9.911 -13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.640 11.958 -14.160 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.578 11.020 -15.639 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.003 12.927 -16.084 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.309 12.632 -15.680 1.00 0.00 H new ATOM 1551 N ASP A 100 7.255 7.199 -13.817 1.00 0.00 N ATOM 1552 CA ASP A 100 8.001 6.117 -13.155 1.00 0.00 C ATOM 1553 C ASP A 100 9.208 6.628 -12.339 1.00 0.00 C ATOM 1554 O ASP A 100 9.697 7.743 -12.547 1.00 0.00 O ATOM 1555 CB ASP A 100 8.429 5.068 -14.196 1.00 0.00 C ATOM 1556 CG ASP A 100 9.557 5.561 -15.122 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.268 6.269 -16.119 1.00 0.00 O ATOM 1558 OD2 ASP A 100 10.738 5.222 -14.868 1.00 0.00 O ATOM 0 H ASP A 100 7.868 7.869 -14.283 1.00 0.00 H new ATOM 0 HA ASP A 100 7.332 5.652 -12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.759 4.166 -13.680 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.565 4.792 -14.801 1.00 0.00 H new ATOM 1563 N GLY A 101 9.694 5.800 -11.408 1.00 0.00 N ATOM 1564 CA GLY A 101 10.856 6.080 -10.557 1.00 0.00 C ATOM 1565 C GLY A 101 11.299 4.861 -9.739 1.00 0.00 C ATOM 1566 O GLY A 101 10.549 3.892 -9.592 1.00 0.00 O ATOM 0 H GLY A 101 9.277 4.888 -11.220 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.685 6.415 -11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.616 6.899 -9.879 1.00 0.00 H new ATOM 1570 N ILE A 102 12.527 4.903 -9.211 1.00 0.00 N ATOM 1571 CA ILE A 102 13.164 3.798 -8.475 1.00 0.00 C ATOM 1572 C ILE A 102 14.048 4.320 -7.326 1.00 0.00 C ATOM 1573 O ILE A 102 14.694 5.363 -7.448 1.00 0.00 O ATOM 1574 CB ILE A 102 13.936 2.889 -9.468 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.205 1.499 -8.854 1.00 0.00 C ATOM 1576 CG2 ILE A 102 15.218 3.556 -10.002 1.00 0.00 C ATOM 1577 CD1 ILE A 102 14.917 0.516 -9.790 1.00 0.00 C ATOM 0 H ILE A 102 13.124 5.727 -9.284 1.00 0.00 H new ATOM 0 HA ILE A 102 12.394 3.191 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 102 13.296 2.741 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.807 1.624 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.255 1.063 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.720 2.878 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 102 14.959 4.478 -10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 102 15.883 3.784 -9.169 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.065 -0.434 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.309 0.356 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.884 0.926 -10.080 1.00 0.00 H new ATOM 1589 N GLY A 103 14.078 3.596 -6.204 1.00 0.00 N ATOM 1590 CA GLY A 103 15.026 3.825 -5.104 1.00 0.00 C ATOM 1591 C GLY A 103 16.460 3.413 -5.473 1.00 0.00 C ATOM 1592 O GLY A 103 16.666 2.544 -6.324 1.00 0.00 O ATOM 0 H GLY A 103 13.436 2.823 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.013 4.880 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.704 3.264 -4.227 1.00 0.00 H new ATOM 1596 N SER A 104 17.459 4.028 -4.835 1.00 0.00 N ATOM 1597 CA SER A 104 18.890 3.774 -5.087 1.00 0.00 C ATOM 1598 C SER A 104 19.722 3.838 -3.800 1.00 0.00 C ATOM 1599 O SER A 104 19.329 4.485 -2.824 1.00 0.00 O ATOM 1600 CB SER A 104 19.420 4.772 -6.124 1.00 0.00 C ATOM 1601 OG SER A 104 20.719 4.391 -6.548 1.00 0.00 O ATOM 0 H SER A 104 17.298 4.731 -4.114 1.00 0.00 H new ATOM 0 HA SER A 104 18.986 2.761 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.746 4.811 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.448 5.774 -5.695 1.00 0.00 H new ATOM 0 HG SER A 104 21.048 5.033 -7.211 1.00 0.00 H new ATOM 1607 N LYS A 105 20.877 3.159 -3.780 1.00 0.00 N ATOM 1608 CA LYS A 105 21.746 3.029 -2.599 1.00 0.00 C ATOM 1609 C LYS A 105 22.425 4.356 -2.236 1.00 0.00 C ATOM 1610 O LYS A 105 22.165 4.898 -1.160 1.00 0.00 O ATOM 1611 CB LYS A 105 22.745 1.877 -2.827 1.00 0.00 C ATOM 1612 CG LYS A 105 23.593 1.576 -1.579 1.00 0.00 C ATOM 1613 CD LYS A 105 24.631 0.466 -1.812 1.00 0.00 C ATOM 1614 CE LYS A 105 23.983 -0.897 -2.099 1.00 0.00 C ATOM 1615 NZ LYS A 105 25.005 -1.963 -2.266 1.00 0.00 N ATOM 0 H LYS A 105 21.242 2.674 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 105 21.137 2.778 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 105 22.199 0.979 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.404 2.131 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.106 2.486 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.935 1.284 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 105 25.272 0.743 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 105 25.271 0.382 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.311 -1.161 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.376 -0.829 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.533 -2.869 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.631 -1.723 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.568 -2.044 -1.395 1.00 0.00 H new ATOM 1629 N ALA A 106 23.269 4.876 -3.127 1.00 0.00 N ATOM 1630 CA ALA A 106 24.084 6.070 -2.954 1.00 0.00 C ATOM 1631 C ALA A 106 24.409 6.693 -4.333 1.00 0.00 C ATOM 1632 O ALA A 106 23.808 6.357 -5.358 1.00 0.00 O ATOM 1633 CB ALA A 106 25.351 5.647 -2.184 1.00 0.00 C ATOM 0 H ALA A 106 23.407 4.447 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 106 23.559 6.839 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.992 6.516 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 106 25.067 5.232 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.891 4.894 -2.758 1.00 0.00 H new ATOM 1639 N GLU A 107 25.379 7.602 -4.356 1.00 0.00 N ATOM 1640 CA GLU A 107 25.919 8.240 -5.568 1.00 0.00 C ATOM 1641 C GLU A 107 26.755 7.266 -6.428 1.00 0.00 C ATOM 1642 O GLU A 107 27.308 6.282 -5.919 1.00 0.00 O ATOM 1643 CB GLU A 107 26.761 9.472 -5.190 1.00 0.00 C ATOM 1644 CG GLU A 107 25.934 10.575 -4.515 1.00 0.00 C ATOM 1645 CD GLU A 107 26.805 11.810 -4.213 1.00 0.00 C ATOM 1646 OE1 GLU A 107 27.425 11.871 -3.123 1.00 0.00 O ATOM 1647 OE2 GLU A 107 26.874 12.735 -5.060 1.00 0.00 O ATOM 0 H GLU A 107 25.832 7.932 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 107 25.067 8.551 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.564 9.165 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 107 27.231 9.874 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 107 25.104 10.860 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.501 10.195 -3.589 1.00 0.00 H new ATOM 1654 N LYS A 108 26.863 7.556 -7.733 1.00 0.00 N ATOM 1655 CA LYS A 108 27.602 6.768 -8.742 1.00 0.00 C ATOM 1656 C LYS A 108 28.525 7.651 -9.594 1.00 0.00 C ATOM 1657 O LYS A 108 28.073 8.717 -10.071 1.00 0.00 O ATOM 1658 CB LYS A 108 26.618 5.982 -9.631 1.00 0.00 C ATOM 1659 CG LYS A 108 25.816 4.922 -8.853 1.00 0.00 C ATOM 1660 CD LYS A 108 24.953 4.036 -9.765 1.00 0.00 C ATOM 1661 CE LYS A 108 23.858 4.835 -10.484 1.00 0.00 C ATOM 1662 NZ LYS A 108 23.002 3.958 -11.326 1.00 0.00 N ATOM 1663 OXT LYS A 108 29.705 7.271 -9.775 1.00 0.00 O ATOM 0 H LYS A 108 26.420 8.382 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 108 28.238 6.060 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 108 25.926 6.680 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 108 27.172 5.494 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.506 4.293 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 108 25.174 5.420 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.590 3.550 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.493 3.246 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 108 23.240 5.349 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 108 24.317 5.603 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.274 4.532 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.588 3.486 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 22.545 3.241 -10.727 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.796 -2.736 -7.927 1.00 0.00 ZN