USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=31 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= 0.729 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.489 K(o=1.2,f=0.13) USER MOD Set 2.1: A 55 SER OG : rot -170:sc= 0.677 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -156:sc= 3.14 (180deg=1.96) USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0.725 USER MOD Set 3.2: A 7 LYS NZ :NH3+ -164:sc= 1.6 (180deg=1.09) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0198) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.22 (180deg=0.817) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -16:sc= 1.76 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 130:sc= 0.736 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0.671 (180deg=0.578) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -176:sc= 0 (180deg=-0.021) USER MOD Single : A 38 MET CE :methyl 158:sc= -1.51 (180deg=-2.9!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 SER OG : rot 180:sc= 0.676 USER MOD Single : A 43 MET CE :methyl -157:sc=-0.00119 (180deg=-0.163) USER MOD Single : A 47 LYS NZ :NH3+ -119:sc= 0.413 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.39) 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= -0.245 F(o=-1.7,f=-0.25) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 82 GLN : amide:sc= 1.08 K(o=1.1,f=-0.64) USER MOD Single : A 83 GLN : amide:sc= 0.704 K(o=0.7,f=-0.08) USER MOD Single : A 84 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.552) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.03) USER MOD Single : A 99 GLN : amide:sc= 0.402 K(o=0.4,f=-0.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 151:sc= 2.39 (180deg=1.76) USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 2.05 (180deg=2.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.075 2.784 16.999 1.00 0.00 N ATOM 2 CA MET A 1 10.196 2.617 18.472 1.00 0.00 C ATOM 3 C MET A 1 8.930 1.976 19.044 1.00 0.00 C ATOM 4 O MET A 1 8.968 0.806 19.425 1.00 0.00 O ATOM 5 CB MET A 1 10.565 3.922 19.208 1.00 0.00 C ATOM 6 CG MET A 1 11.996 4.393 18.902 1.00 0.00 C ATOM 7 SD MET A 1 12.496 5.935 19.723 1.00 0.00 S ATOM 8 CE MET A 1 12.624 5.386 21.449 1.00 0.00 C ATOM 0 H1 MET A 1 11.018 2.943 16.589 1.00 0.00 H new ATOM 0 H2 MET A 1 9.658 1.926 16.585 1.00 0.00 H new ATOM 0 H3 MET A 1 9.465 3.600 16.791 1.00 0.00 H new ATOM 0 HA MET A 1 11.034 1.942 18.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.861 4.705 18.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.459 3.771 20.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.691 3.604 19.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.095 4.525 17.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.009 6.201 22.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.639 5.093 21.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.302 4.534 21.511 1.00 0.00 H new ATOM 20 N ALA A 2 7.801 2.697 19.079 1.00 0.00 N ATOM 21 CA ALA A 2 6.476 2.113 19.316 1.00 0.00 C ATOM 22 C ALA A 2 5.902 1.549 18.000 1.00 0.00 C ATOM 23 O ALA A 2 5.949 2.216 16.963 1.00 0.00 O ATOM 24 CB ALA A 2 5.565 3.173 19.947 1.00 0.00 C ATOM 0 H ALA A 2 7.783 3.708 18.943 1.00 0.00 H new ATOM 0 HA ALA A 2 6.549 1.278 20.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.579 2.745 20.126 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.993 3.505 20.893 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.475 4.024 19.272 1.00 0.00 H new ATOM 30 N GLU A 3 5.368 0.325 18.033 1.00 0.00 N ATOM 31 CA GLU A 3 4.940 -0.435 16.844 1.00 0.00 C ATOM 32 C GLU A 3 3.477 -0.908 16.947 1.00 0.00 C ATOM 33 O GLU A 3 2.933 -1.054 18.047 1.00 0.00 O ATOM 34 CB GLU A 3 5.871 -1.644 16.618 1.00 0.00 C ATOM 35 CG GLU A 3 7.381 -1.345 16.614 1.00 0.00 C ATOM 36 CD GLU A 3 7.815 -0.271 15.596 1.00 0.00 C ATOM 37 OE1 GLU A 3 7.339 -0.288 14.435 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.676 0.576 15.945 1.00 0.00 O ATOM 0 H GLU A 3 5.216 -0.181 18.905 1.00 0.00 H new ATOM 0 HA GLU A 3 5.005 0.240 15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.670 -2.382 17.395 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.610 -2.105 15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.678 -1.023 17.612 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.921 -2.268 16.403 1.00 0.00 H new ATOM 45 N SER A 4 2.843 -1.177 15.800 1.00 0.00 N ATOM 46 CA SER A 4 1.472 -1.708 15.706 1.00 0.00 C ATOM 47 C SER A 4 1.307 -2.653 14.506 1.00 0.00 C ATOM 48 O SER A 4 1.748 -2.345 13.394 1.00 0.00 O ATOM 49 CB SER A 4 0.449 -0.562 15.651 1.00 0.00 C ATOM 50 OG SER A 4 0.720 0.342 14.587 1.00 0.00 O ATOM 0 H SER A 4 3.276 -1.029 14.888 1.00 0.00 H new ATOM 0 HA SER A 4 1.284 -2.294 16.605 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.552 -0.975 15.530 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.458 -0.022 16.598 1.00 0.00 H new ATOM 0 HG SER A 4 0.048 1.055 14.584 1.00 0.00 H new ATOM 56 N SER A 5 0.652 -3.800 14.723 1.00 0.00 N ATOM 57 CA SER A 5 0.643 -4.934 13.773 1.00 0.00 C ATOM 58 C SER A 5 -0.716 -5.618 13.598 1.00 0.00 C ATOM 59 O SER A 5 -0.787 -6.752 13.118 1.00 0.00 O ATOM 60 CB SER A 5 1.718 -5.965 14.158 1.00 0.00 C ATOM 61 OG SER A 5 2.986 -5.355 14.361 1.00 0.00 O ATOM 0 H SER A 5 0.107 -3.975 15.567 1.00 0.00 H new ATOM 0 HA SER A 5 0.871 -4.497 12.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.415 -6.484 15.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.798 -6.717 13.373 1.00 0.00 H new ATOM 0 HG SER A 5 3.643 -6.040 14.605 1.00 0.00 H new ATOM 67 N ASP A 6 -1.802 -4.940 13.974 1.00 0.00 N ATOM 68 CA ASP A 6 -3.161 -5.500 13.998 1.00 0.00 C ATOM 69 C ASP A 6 -4.024 -5.110 12.774 1.00 0.00 C ATOM 70 O ASP A 6 -5.257 -5.120 12.826 1.00 0.00 O ATOM 71 CB ASP A 6 -3.809 -5.171 15.356 1.00 0.00 C ATOM 72 CG ASP A 6 -5.070 -6.006 15.656 1.00 0.00 C ATOM 73 OD1 ASP A 6 -5.033 -7.250 15.494 1.00 0.00 O ATOM 74 OD2 ASP A 6 -6.085 -5.427 16.117 1.00 0.00 O ATOM 0 H ASP A 6 -1.764 -3.967 14.277 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.092 -6.584 13.903 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.078 -5.335 16.147 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.070 -4.113 15.378 1.00 0.00 H new ATOM 79 N LYS A 7 -3.372 -4.732 11.666 1.00 0.00 N ATOM 80 CA LYS A 7 -3.978 -4.256 10.413 1.00 0.00 C ATOM 81 C LYS A 7 -3.135 -4.721 9.232 1.00 0.00 C ATOM 82 O LYS A 7 -1.999 -4.293 9.052 1.00 0.00 O ATOM 83 CB LYS A 7 -4.218 -2.731 10.400 1.00 0.00 C ATOM 84 CG LYS A 7 -3.440 -1.895 11.425 1.00 0.00 C ATOM 85 CD LYS A 7 -1.914 -1.893 11.233 1.00 0.00 C ATOM 86 CE LYS A 7 -1.310 -0.902 12.235 1.00 0.00 C ATOM 87 NZ LYS A 7 0.092 -0.536 11.914 1.00 0.00 N ATOM 0 H LYS A 7 -2.353 -4.751 11.616 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.971 -4.696 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.976 -2.358 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.282 -2.554 10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.799 -0.867 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.666 -2.269 12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.509 -2.892 11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.659 -1.606 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.920 0.001 12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.347 -1.336 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.534 -0.094 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.623 -1.391 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.102 0.134 11.119 1.00 0.00 H new ATOM 101 N LEU A 8 -3.695 -5.651 8.468 1.00 0.00 N ATOM 102 CA LEU A 8 -2.995 -6.491 7.498 1.00 0.00 C ATOM 103 C LEU A 8 -2.603 -5.783 6.195 1.00 0.00 C ATOM 104 O LEU A 8 -1.814 -6.353 5.444 1.00 0.00 O ATOM 105 CB LEU A 8 -3.766 -7.816 7.283 1.00 0.00 C ATOM 106 CG LEU A 8 -5.301 -7.745 7.128 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.762 -6.815 6.011 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.852 -9.141 6.835 1.00 0.00 C ATOM 0 H LEU A 8 -4.694 -5.851 8.508 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.026 -6.733 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.362 -8.296 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.545 -8.471 8.126 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.679 -7.346 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.851 -6.817 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.409 -5.803 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.356 -7.159 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.935 -9.089 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.412 -9.520 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.602 -9.811 7.658 1.00 0.00 H new ATOM 120 N TYR A 9 -3.060 -4.549 5.963 1.00 0.00 N ATOM 121 CA TYR A 9 -2.666 -3.714 4.836 1.00 0.00 C ATOM 122 C TYR A 9 -2.147 -2.361 5.338 1.00 0.00 C ATOM 123 O TYR A 9 -2.539 -1.861 6.396 1.00 0.00 O ATOM 124 CB TYR A 9 -3.836 -3.540 3.855 1.00 0.00 C ATOM 125 CG TYR A 9 -4.472 -4.813 3.316 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.676 -5.890 2.888 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.872 -4.904 3.210 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.264 -7.050 2.344 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.469 -6.060 2.669 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.667 -7.137 2.230 1.00 0.00 C ATOM 131 OH TYR A 9 -6.247 -8.257 1.716 1.00 0.00 O ATOM 0 H TYR A 9 -3.736 -4.094 6.577 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.857 -4.207 4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.611 -2.956 4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.485 -2.950 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.601 -5.828 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.491 -4.085 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.642 -7.870 2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.544 -6.123 2.590 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.611 -8.714 1.127 1.00 0.00 H new ATOM 141 N ARG A 10 -1.256 -1.757 4.558 1.00 0.00 N ATOM 142 CA ARG A 10 -0.558 -0.501 4.847 1.00 0.00 C ATOM 143 C ARG A 10 -0.476 0.325 3.564 1.00 0.00 C ATOM 144 O ARG A 10 -0.322 -0.254 2.492 1.00 0.00 O ATOM 145 CB ARG A 10 0.824 -0.862 5.432 1.00 0.00 C ATOM 146 CG ARG A 10 1.852 0.274 5.598 1.00 0.00 C ATOM 147 CD ARG A 10 1.499 1.189 6.774 1.00 0.00 C ATOM 148 NE ARG A 10 2.316 2.416 6.812 1.00 0.00 N ATOM 149 CZ ARG A 10 2.076 3.470 7.573 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.182 3.482 8.521 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.747 4.563 7.396 1.00 0.00 N ATOM 0 H ARG A 10 -0.984 -2.149 3.657 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.084 0.111 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.666 -1.316 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.269 -1.626 4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.843 -0.152 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.897 0.861 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.446 1.462 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.632 0.641 7.707 1.00 0.00 H new ATOM 0 HE ARG A 10 3.132 2.455 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.624 2.648 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.040 4.325 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.461 4.611 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.562 5.376 7.983 1.00 0.00 H new ATOM 165 N VAL A 11 -0.570 1.648 3.656 1.00 0.00 N ATOM 166 CA VAL A 11 -0.334 2.608 2.564 1.00 0.00 C ATOM 167 C VAL A 11 0.348 3.868 3.101 1.00 0.00 C ATOM 168 O VAL A 11 0.053 4.301 4.214 1.00 0.00 O ATOM 169 CB VAL A 11 -1.656 2.930 1.839 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.568 3.895 2.606 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.423 3.561 0.463 1.00 0.00 C ATOM 0 H VAL A 11 -0.824 2.109 4.530 1.00 0.00 H new ATOM 0 HA VAL A 11 0.339 2.160 1.832 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.141 1.957 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.477 4.071 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.828 3.460 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.048 4.840 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.383 3.770 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.866 4.491 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.854 2.872 -0.161 1.00 0.00 H new ATOM 181 N GLU A 12 1.264 4.467 2.341 1.00 0.00 N ATOM 182 CA GLU A 12 1.892 5.745 2.707 1.00 0.00 C ATOM 183 C GLU A 12 2.517 6.488 1.525 1.00 0.00 C ATOM 184 O GLU A 12 2.947 5.890 0.535 1.00 0.00 O ATOM 185 CB GLU A 12 2.962 5.545 3.805 1.00 0.00 C ATOM 186 CG GLU A 12 4.145 4.669 3.363 1.00 0.00 C ATOM 187 CD GLU A 12 5.227 4.530 4.443 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.868 4.319 5.628 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.432 4.604 4.092 1.00 0.00 O ATOM 0 H GLU A 12 1.594 4.084 1.455 1.00 0.00 H new ATOM 0 HA GLU A 12 1.078 6.365 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.339 6.520 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.493 5.093 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.776 3.678 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.590 5.096 2.464 1.00 0.00 H new ATOM 196 N TYR A 13 2.649 7.804 1.693 1.00 0.00 N ATOM 197 CA TYR A 13 3.642 8.601 0.982 1.00 0.00 C ATOM 198 C TYR A 13 5.036 8.306 1.558 1.00 0.00 C ATOM 199 O TYR A 13 5.250 8.377 2.771 1.00 0.00 O ATOM 200 CB TYR A 13 3.296 10.092 1.112 1.00 0.00 C ATOM 201 CG TYR A 13 1.942 10.548 0.581 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.256 9.828 -0.420 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.395 11.753 1.065 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.068 10.342 -0.976 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.193 12.255 0.531 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.463 11.562 -0.508 1.00 0.00 C ATOM 207 OH TYR A 13 -1.599 12.073 -1.047 1.00 0.00 O ATOM 0 H TYR A 13 2.066 8.347 2.330 1.00 0.00 H new ATOM 0 HA TYR A 13 3.641 8.341 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.351 10.360 2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.069 10.663 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.643 8.879 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.901 12.295 1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.437 9.801 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.227 13.172 0.917 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.785 11.629 -1.901 1.00 0.00 H new ATOM 217 N ALA A 14 5.989 7.967 0.692 1.00 0.00 N ATOM 218 CA ALA A 14 7.337 7.559 1.073 1.00 0.00 C ATOM 219 C ALA A 14 8.162 8.731 1.643 1.00 0.00 C ATOM 220 O ALA A 14 8.599 9.613 0.899 1.00 0.00 O ATOM 221 CB ALA A 14 7.993 6.946 -0.167 1.00 0.00 C ATOM 0 H ALA A 14 5.840 7.969 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 14 7.292 6.826 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.006 6.627 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.412 6.085 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.029 7.688 -0.964 1.00 0.00 H new ATOM 227 N LYS A 15 8.422 8.712 2.957 1.00 0.00 N ATOM 228 CA LYS A 15 9.254 9.711 3.659 1.00 0.00 C ATOM 229 C LYS A 15 10.746 9.592 3.312 1.00 0.00 C ATOM 230 O LYS A 15 11.457 10.597 3.291 1.00 0.00 O ATOM 231 CB LYS A 15 8.991 9.576 5.174 1.00 0.00 C ATOM 232 CG LYS A 15 9.698 10.612 6.067 1.00 0.00 C ATOM 233 CD LYS A 15 9.287 12.062 5.768 1.00 0.00 C ATOM 234 CE LYS A 15 9.950 13.010 6.775 1.00 0.00 C ATOM 235 NZ LYS A 15 9.569 14.426 6.529 1.00 0.00 N ATOM 0 H LYS A 15 8.055 7.990 3.578 1.00 0.00 H new ATOM 0 HA LYS A 15 8.972 10.710 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.917 9.647 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.299 8.580 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.480 10.389 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.776 10.515 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.582 12.331 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.203 12.160 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.661 12.726 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.033 12.908 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.036 15.038 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.867 14.704 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.537 14.528 6.614 1.00 0.00 H new ATOM 249 N SER A 16 11.208 8.379 3.005 1.00 0.00 N ATOM 250 CA SER A 16 12.548 8.074 2.479 1.00 0.00 C ATOM 251 C SER A 16 12.529 6.772 1.662 1.00 0.00 C ATOM 252 O SER A 16 11.645 5.927 1.837 1.00 0.00 O ATOM 253 CB SER A 16 13.554 7.998 3.636 1.00 0.00 C ATOM 254 OG SER A 16 14.884 7.955 3.139 1.00 0.00 O ATOM 0 H SER A 16 10.636 7.542 3.120 1.00 0.00 H new ATOM 0 HA SER A 16 12.859 8.874 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.432 8.862 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.356 7.112 4.239 1.00 0.00 H new ATOM 0 HG SER A 16 15.427 8.628 3.599 1.00 0.00 H new ATOM 260 N GLY A 17 13.492 6.591 0.754 1.00 0.00 N ATOM 261 CA GLY A 17 13.559 5.493 -0.227 1.00 0.00 C ATOM 262 C GLY A 17 14.082 4.152 0.316 1.00 0.00 C ATOM 263 O GLY A 17 14.866 3.483 -0.360 1.00 0.00 O ATOM 0 H GLY A 17 14.282 7.231 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.562 5.335 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.198 5.805 -1.053 1.00 0.00 H new ATOM 267 N ARG A 18 13.711 3.779 1.549 1.00 0.00 N ATOM 268 CA ARG A 18 14.272 2.617 2.280 1.00 0.00 C ATOM 269 C ARG A 18 13.629 1.269 1.925 1.00 0.00 C ATOM 270 O ARG A 18 14.229 0.224 2.187 1.00 0.00 O ATOM 271 CB ARG A 18 14.183 2.856 3.802 1.00 0.00 C ATOM 272 CG ARG A 18 14.719 4.210 4.294 1.00 0.00 C ATOM 273 CD ARG A 18 16.171 4.493 3.889 1.00 0.00 C ATOM 274 NE ARG A 18 16.546 5.868 4.265 1.00 0.00 N ATOM 275 CZ ARG A 18 17.411 6.268 5.179 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.118 5.439 5.894 1.00 0.00 N ATOM 277 NH2 ARG A 18 17.573 7.541 5.391 1.00 0.00 N ATOM 0 H ARG A 18 13.001 4.281 2.082 1.00 0.00 H new ATOM 0 HA ARG A 18 15.312 2.544 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.140 2.766 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.732 2.062 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.083 5.004 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.643 4.246 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.837 3.781 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.289 4.357 2.814 1.00 0.00 H new ATOM 0 HE ARG A 18 16.074 6.611 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.015 4.433 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.774 5.796 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.034 8.220 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.239 7.860 6.095 1.00 0.00 H new ATOM 291 N ALA A 19 12.420 1.280 1.363 1.00 0.00 N ATOM 292 CA ALA A 19 11.635 0.083 1.066 1.00 0.00 C ATOM 293 C ALA A 19 11.939 -0.503 -0.330 1.00 0.00 C ATOM 294 O ALA A 19 12.225 0.231 -1.278 1.00 0.00 O ATOM 295 CB ALA A 19 10.152 0.421 1.247 1.00 0.00 C ATOM 0 H ALA A 19 11.948 2.144 1.095 1.00 0.00 H new ATOM 0 HA ALA A 19 11.915 -0.707 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.549 -0.460 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.974 0.738 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.877 1.226 0.566 1.00 0.00 H new ATOM 301 N SER A 20 11.813 -1.829 -0.458 1.00 0.00 N ATOM 302 CA SER A 20 12.087 -2.589 -1.692 1.00 0.00 C ATOM 303 C SER A 20 10.911 -3.498 -2.043 1.00 0.00 C ATOM 304 O SER A 20 10.320 -4.118 -1.152 1.00 0.00 O ATOM 305 CB SER A 20 13.362 -3.432 -1.557 1.00 0.00 C ATOM 306 OG SER A 20 14.489 -2.616 -1.281 1.00 0.00 O ATOM 0 H SER A 20 11.509 -2.423 0.313 1.00 0.00 H new ATOM 0 HA SER A 20 12.231 -1.864 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.235 -4.163 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.531 -3.991 -2.477 1.00 0.00 H new ATOM 0 HG SER A 20 15.287 -3.178 -1.198 1.00 0.00 H new ATOM 312 N CYS A 21 10.583 -3.589 -3.332 1.00 0.00 N ATOM 313 CA CYS A 21 9.390 -4.273 -3.825 1.00 0.00 C ATOM 314 C CYS A 21 9.524 -5.802 -3.782 1.00 0.00 C ATOM 315 O CYS A 21 10.584 -6.369 -4.072 1.00 0.00 O ATOM 316 CB CYS A 21 9.101 -3.744 -5.226 1.00 0.00 C ATOM 317 SG CYS A 21 7.458 -4.264 -5.845 1.00 0.00 S ATOM 0 H CYS A 21 11.150 -3.182 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 21 8.545 -4.059 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.155 -2.655 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.872 -4.097 -5.911 1.00 0.00 H new ATOM 322 N LYS A 22 8.423 -6.463 -3.420 1.00 0.00 N ATOM 323 CA LYS A 22 8.328 -7.922 -3.226 1.00 0.00 C ATOM 324 C LYS A 22 7.657 -8.645 -4.401 1.00 0.00 C ATOM 325 O LYS A 22 7.632 -9.877 -4.424 1.00 0.00 O ATOM 326 CB LYS A 22 7.584 -8.200 -1.905 1.00 0.00 C ATOM 327 CG LYS A 22 8.164 -7.493 -0.680 1.00 0.00 C ATOM 328 CD LYS A 22 9.428 -8.197 -0.185 1.00 0.00 C ATOM 329 CE LYS A 22 9.995 -7.475 1.037 1.00 0.00 C ATOM 330 NZ LYS A 22 10.781 -6.269 0.661 1.00 0.00 N ATOM 0 H LYS A 22 7.538 -5.986 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 22 9.341 -8.322 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.543 -7.900 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.587 -9.275 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.395 -6.457 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.421 -7.471 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.200 -9.232 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.174 -8.221 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.178 -7.183 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.630 -8.160 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.944 -5.684 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.695 -6.561 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.254 -5.717 -0.046 1.00 0.00 H new ATOM 344 N LYS A 23 7.115 -7.888 -5.366 1.00 0.00 N ATOM 345 CA LYS A 23 6.368 -8.399 -6.534 1.00 0.00 C ATOM 346 C LYS A 23 7.099 -8.169 -7.860 1.00 0.00 C ATOM 347 O LYS A 23 7.221 -9.118 -8.637 1.00 0.00 O ATOM 348 CB LYS A 23 4.948 -7.806 -6.517 1.00 0.00 C ATOM 349 CG LYS A 23 4.046 -8.208 -7.696 1.00 0.00 C ATOM 350 CD LYS A 23 3.846 -9.726 -7.835 1.00 0.00 C ATOM 351 CE LYS A 23 2.862 -10.014 -8.973 1.00 0.00 C ATOM 352 NZ LYS A 23 2.649 -11.472 -9.168 1.00 0.00 N ATOM 0 H LYS A 23 7.184 -6.870 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 23 6.294 -9.484 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.459 -8.106 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.028 -6.719 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.073 -7.732 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.477 -7.822 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.801 -10.212 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.468 -10.140 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.908 -9.534 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.238 -9.576 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.977 -11.624 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.555 -11.927 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.266 -11.887 -8.295 1.00 0.00 H new ATOM 366 N CYS A 24 7.615 -6.958 -8.103 1.00 0.00 N ATOM 367 CA CYS A 24 8.404 -6.636 -9.304 1.00 0.00 C ATOM 368 C CYS A 24 9.932 -6.536 -9.061 1.00 0.00 C ATOM 369 O CYS A 24 10.700 -6.321 -10.004 1.00 0.00 O ATOM 370 CB CYS A 24 7.776 -5.447 -10.053 1.00 0.00 C ATOM 371 SG CYS A 24 8.283 -3.819 -9.385 1.00 0.00 S ATOM 0 H CYS A 24 7.498 -6.167 -7.469 1.00 0.00 H new ATOM 0 HA CYS A 24 8.346 -7.492 -9.976 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.054 -5.502 -11.106 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.690 -5.529 -10.005 1.00 0.00 H new ATOM 376 N SER A 25 10.379 -6.759 -7.818 1.00 0.00 N ATOM 377 CA SER A 25 11.794 -6.828 -7.396 1.00 0.00 C ATOM 378 C SER A 25 12.630 -5.566 -7.690 1.00 0.00 C ATOM 379 O SER A 25 13.859 -5.623 -7.804 1.00 0.00 O ATOM 380 CB SER A 25 12.466 -8.113 -7.906 1.00 0.00 C ATOM 381 OG SER A 25 11.737 -9.264 -7.496 1.00 0.00 O ATOM 0 H SER A 25 9.737 -6.904 -7.038 1.00 0.00 H new ATOM 0 HA SER A 25 11.764 -6.867 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.531 -8.087 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.486 -8.170 -7.527 1.00 0.00 H new ATOM 0 HG SER A 25 12.181 -10.070 -7.833 1.00 0.00 H new ATOM 387 N GLU A 26 11.970 -4.412 -7.804 1.00 0.00 N ATOM 388 CA GLU A 26 12.573 -3.076 -7.905 1.00 0.00 C ATOM 389 C GLU A 26 12.590 -2.375 -6.525 1.00 0.00 C ATOM 390 O GLU A 26 12.359 -3.006 -5.491 1.00 0.00 O ATOM 391 CB GLU A 26 11.824 -2.281 -8.996 1.00 0.00 C ATOM 392 CG GLU A 26 12.037 -2.807 -10.424 1.00 0.00 C ATOM 393 CD GLU A 26 13.395 -2.370 -10.994 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.444 -2.916 -10.574 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.422 -1.457 -11.852 1.00 0.00 O ATOM 0 H GLU A 26 10.951 -4.379 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 26 13.619 -3.145 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.757 -2.296 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.144 -1.240 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.976 -3.895 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.237 -2.443 -11.069 1.00 0.00 H new ATOM 402 N SER A 27 12.888 -1.074 -6.477 1.00 0.00 N ATOM 403 CA SER A 27 12.984 -0.282 -5.239 1.00 0.00 C ATOM 404 C SER A 27 12.001 0.884 -5.227 1.00 0.00 C ATOM 405 O SER A 27 11.565 1.354 -6.283 1.00 0.00 O ATOM 406 CB SER A 27 14.415 0.186 -5.028 1.00 0.00 C ATOM 407 OG SER A 27 14.571 0.752 -3.740 1.00 0.00 O ATOM 0 H SER A 27 13.074 -0.525 -7.316 1.00 0.00 H new ATOM 0 HA SER A 27 12.705 -0.925 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.099 -0.654 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.678 0.921 -5.788 1.00 0.00 H new ATOM 0 HG SER A 27 15.498 1.046 -3.622 1.00 0.00 H new ATOM 413 N ILE A 28 11.587 1.294 -4.028 1.00 0.00 N ATOM 414 CA ILE A 28 10.413 2.145 -3.818 1.00 0.00 C ATOM 415 C ILE A 28 10.851 3.534 -3.295 1.00 0.00 C ATOM 416 O ILE A 28 11.113 3.680 -2.093 1.00 0.00 O ATOM 417 CB ILE A 28 9.401 1.447 -2.878 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.104 -0.034 -3.239 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.091 2.251 -2.913 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.375 -0.801 -2.128 1.00 0.00 C ATOM 0 H ILE A 28 12.064 1.041 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 28 9.903 2.304 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 28 9.849 1.424 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.501 -0.064 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.043 -0.540 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.358 1.781 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.280 3.270 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.705 2.274 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.200 -1.828 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.986 -0.802 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.420 -0.319 -1.919 1.00 0.00 H new ATOM 432 N PRO A 29 10.918 4.565 -4.161 1.00 0.00 N ATOM 433 CA PRO A 29 11.589 5.834 -3.867 1.00 0.00 C ATOM 434 C PRO A 29 10.784 6.789 -2.974 1.00 0.00 C ATOM 435 O PRO A 29 9.557 6.706 -2.887 1.00 0.00 O ATOM 436 CB PRO A 29 11.879 6.463 -5.233 1.00 0.00 C ATOM 437 CG PRO A 29 10.715 5.966 -6.085 1.00 0.00 C ATOM 438 CD PRO A 29 10.520 4.545 -5.564 1.00 0.00 C ATOM 0 HA PRO A 29 12.491 5.644 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.906 7.551 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.840 6.139 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.822 6.576 -5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.953 5.981 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.481 4.232 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.125 3.837 -6.130 1.00 0.00 H new ATOM 446 N LYS A 30 11.499 7.731 -2.342 1.00 0.00 N ATOM 447 CA LYS A 30 10.950 8.902 -1.635 1.00 0.00 C ATOM 448 C LYS A 30 9.977 9.709 -2.513 1.00 0.00 C ATOM 449 O LYS A 30 10.142 9.776 -3.732 1.00 0.00 O ATOM 450 CB LYS A 30 12.143 9.767 -1.182 1.00 0.00 C ATOM 451 CG LYS A 30 11.749 10.934 -0.263 1.00 0.00 C ATOM 452 CD LYS A 30 12.972 11.672 0.299 1.00 0.00 C ATOM 453 CE LYS A 30 13.720 12.459 -0.787 1.00 0.00 C ATOM 454 NZ LYS A 30 14.862 13.226 -0.220 1.00 0.00 N ATOM 0 H LYS A 30 12.518 7.698 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 30 10.366 8.572 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.862 9.134 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.647 10.165 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.127 11.636 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.145 10.556 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.653 12.355 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.650 10.952 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.086 11.771 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.031 13.144 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.344 13.745 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.509 13.900 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.532 12.570 0.229 1.00 0.00 H new ATOM 468 N ASP A 31 8.993 10.352 -1.884 1.00 0.00 N ATOM 469 CA ASP A 31 7.964 11.189 -2.529 1.00 0.00 C ATOM 470 C ASP A 31 7.148 10.446 -3.616 1.00 0.00 C ATOM 471 O ASP A 31 6.817 10.988 -4.673 1.00 0.00 O ATOM 472 CB ASP A 31 8.575 12.535 -2.968 1.00 0.00 C ATOM 473 CG ASP A 31 7.516 13.588 -3.352 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.508 13.739 -2.618 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.716 14.311 -4.360 1.00 0.00 O ATOM 0 H ASP A 31 8.881 10.306 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 31 7.199 11.424 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.191 12.928 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.235 12.366 -3.819 1.00 0.00 H new ATOM 480 N SER A 32 6.829 9.178 -3.339 1.00 0.00 N ATOM 481 CA SER A 32 5.961 8.299 -4.137 1.00 0.00 C ATOM 482 C SER A 32 5.014 7.511 -3.220 1.00 0.00 C ATOM 483 O SER A 32 5.209 7.480 -2.003 1.00 0.00 O ATOM 484 CB SER A 32 6.821 7.361 -4.992 1.00 0.00 C ATOM 485 OG SER A 32 6.015 6.721 -5.968 1.00 0.00 O ATOM 0 H SER A 32 7.188 8.709 -2.507 1.00 0.00 H new ATOM 0 HA SER A 32 5.348 8.904 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.617 7.925 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.301 6.615 -4.358 1.00 0.00 H new ATOM 0 HG SER A 32 6.571 6.125 -6.512 1.00 0.00 H new ATOM 491 N LEU A 33 3.973 6.885 -3.776 1.00 0.00 N ATOM 492 CA LEU A 33 2.972 6.122 -3.030 1.00 0.00 C ATOM 493 C LEU A 33 3.358 4.634 -2.974 1.00 0.00 C ATOM 494 O LEU A 33 3.643 4.013 -4.003 1.00 0.00 O ATOM 495 CB LEU A 33 1.590 6.359 -3.669 1.00 0.00 C ATOM 496 CG LEU A 33 0.421 5.736 -2.887 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.117 6.471 -1.584 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.854 5.795 -3.719 1.00 0.00 C ATOM 0 H LEU A 33 3.800 6.896 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 33 2.927 6.462 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.422 7.432 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.595 5.952 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 33 0.726 4.713 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.717 5.985 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.996 6.448 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.145 7.506 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.676 5.352 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.091 6.834 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.709 5.242 -4.647 1.00 0.00 H new ATOM 510 N ARG A 34 3.327 4.050 -1.772 1.00 0.00 N ATOM 511 CA ARG A 34 3.657 2.643 -1.503 1.00 0.00 C ATOM 512 C ARG A 34 2.600 1.979 -0.626 1.00 0.00 C ATOM 513 O ARG A 34 1.881 2.659 0.103 1.00 0.00 O ATOM 514 CB ARG A 34 5.081 2.531 -0.924 1.00 0.00 C ATOM 515 CG ARG A 34 5.273 3.103 0.488 1.00 0.00 C ATOM 516 CD ARG A 34 6.583 2.641 1.147 1.00 0.00 C ATOM 517 NE ARG A 34 7.796 3.223 0.534 1.00 0.00 N ATOM 518 CZ ARG A 34 8.757 3.891 1.152 1.00 0.00 C ATOM 519 NH1 ARG A 34 8.659 4.326 2.377 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.875 4.155 0.537 1.00 0.00 N ATOM 0 H ARG A 34 3.063 4.560 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 34 3.649 2.092 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.367 1.479 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.769 3.040 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.261 4.192 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.432 2.803 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.559 2.904 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.644 1.554 1.090 1.00 0.00 H new ATOM 0 HE ARG A 34 7.904 3.096 -0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.807 4.157 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.434 4.836 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.013 3.847 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.612 4.670 1.018 1.00 0.00 H new ATOM 534 N MET A 35 2.532 0.654 -0.687 1.00 0.00 N ATOM 535 CA MET A 35 1.664 -0.198 0.131 1.00 0.00 C ATOM 536 C MET A 35 2.465 -1.319 0.795 1.00 0.00 C ATOM 537 O MET A 35 3.565 -1.635 0.357 1.00 0.00 O ATOM 538 CB MET A 35 0.485 -0.744 -0.696 1.00 0.00 C ATOM 539 CG MET A 35 -0.550 0.348 -0.984 1.00 0.00 C ATOM 540 SD MET A 35 -2.064 -0.166 -1.845 1.00 0.00 S ATOM 541 CE MET A 35 -2.989 -0.918 -0.473 1.00 0.00 C ATOM 0 H MET A 35 3.105 0.116 -1.337 1.00 0.00 H new ATOM 0 HA MET A 35 1.241 0.413 0.929 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.856 -1.152 -1.636 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.010 -1.564 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.836 0.803 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.068 1.125 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.916 -1.348 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.386 -1.702 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.220 -0.156 0.271 1.00 0.00 H new ATOM 551 N ALA A 36 1.948 -1.895 1.877 1.00 0.00 N ATOM 552 CA ALA A 36 2.596 -2.990 2.609 1.00 0.00 C ATOM 553 C ALA A 36 1.583 -4.001 3.167 1.00 0.00 C ATOM 554 O ALA A 36 0.383 -3.720 3.217 1.00 0.00 O ATOM 555 CB ALA A 36 3.519 -2.425 3.702 1.00 0.00 C ATOM 0 H ALA A 36 1.054 -1.613 2.279 1.00 0.00 H new ATOM 0 HA ALA A 36 3.211 -3.549 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.994 -3.247 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.285 -1.800 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.933 -1.827 4.400 1.00 0.00 H new ATOM 561 N ILE A 37 2.070 -5.168 3.602 1.00 0.00 N ATOM 562 CA ILE A 37 1.254 -6.253 4.164 1.00 0.00 C ATOM 563 C ILE A 37 1.871 -6.770 5.462 1.00 0.00 C ATOM 564 O ILE A 37 3.088 -6.934 5.521 1.00 0.00 O ATOM 565 CB ILE A 37 1.093 -7.353 3.088 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.214 -7.093 2.319 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.127 -8.786 3.636 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.344 -7.863 1.005 1.00 0.00 C ATOM 0 H ILE A 37 3.065 -5.391 3.573 1.00 0.00 H new ATOM 0 HA ILE A 37 0.260 -5.892 4.429 1.00 0.00 H new ATOM 0 HB ILE A 37 1.958 -7.289 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.056 -7.352 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.290 -6.026 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.007 -9.493 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.082 -8.964 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.316 -8.921 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.295 -7.618 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.474 -7.587 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.304 -8.934 1.205 1.00 0.00 H new ATOM 580 N MET A 38 1.062 -7.076 6.484 1.00 0.00 N ATOM 581 CA MET A 38 1.573 -7.734 7.695 1.00 0.00 C ATOM 582 C MET A 38 1.704 -9.249 7.517 1.00 0.00 C ATOM 583 O MET A 38 0.739 -9.927 7.159 1.00 0.00 O ATOM 584 CB MET A 38 0.708 -7.430 8.928 1.00 0.00 C ATOM 585 CG MET A 38 0.594 -5.950 9.315 1.00 0.00 C ATOM 586 SD MET A 38 1.926 -5.228 10.317 1.00 0.00 S ATOM 587 CE MET A 38 3.347 -5.342 9.209 1.00 0.00 C ATOM 0 H MET A 38 0.061 -6.881 6.498 1.00 0.00 H new ATOM 0 HA MET A 38 2.567 -7.319 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.295 -7.818 8.749 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.115 -7.978 9.778 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.515 -5.369 8.396 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.342 -5.817 9.858 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.102 -4.616 9.510 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.768 -6.346 9.260 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.030 -5.133 8.187 1.00 0.00 H new ATOM 597 N VAL A 39 2.881 -9.787 7.849 1.00 0.00 N ATOM 598 CA VAL A 39 3.131 -11.238 7.948 1.00 0.00 C ATOM 599 C VAL A 39 4.065 -11.569 9.114 1.00 0.00 C ATOM 600 O VAL A 39 4.934 -10.778 9.474 1.00 0.00 O ATOM 601 CB VAL A 39 3.653 -11.792 6.605 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.001 -11.194 6.198 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.746 -13.320 6.572 1.00 0.00 C ATOM 0 H VAL A 39 3.704 -9.222 8.061 1.00 0.00 H new ATOM 0 HA VAL A 39 2.184 -11.734 8.161 1.00 0.00 H new ATOM 0 HB VAL A 39 2.901 -11.483 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.316 -11.622 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.904 -10.113 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.745 -11.420 6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.120 -13.641 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.427 -13.660 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.758 -13.748 6.740 1.00 0.00 H new ATOM 613 N GLN A 40 3.887 -12.742 9.722 1.00 0.00 N ATOM 614 CA GLN A 40 4.791 -13.294 10.738 1.00 0.00 C ATOM 615 C GLN A 40 6.116 -13.753 10.100 1.00 0.00 C ATOM 616 O GLN A 40 6.122 -14.502 9.121 1.00 0.00 O ATOM 617 CB GLN A 40 4.085 -14.413 11.525 1.00 0.00 C ATOM 618 CG GLN A 40 3.320 -15.424 10.645 1.00 0.00 C ATOM 619 CD GLN A 40 2.728 -16.600 11.429 1.00 0.00 C ATOM 620 OE1 GLN A 40 2.799 -16.700 12.648 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.108 -17.547 10.754 1.00 0.00 N ATOM 0 H GLN A 40 3.094 -13.350 9.519 1.00 0.00 H new ATOM 0 HA GLN A 40 5.049 -12.514 11.454 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.828 -14.951 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.387 -13.961 12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.515 -14.904 10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.995 -15.811 9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.036 -17.486 9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.700 -18.341 11.247 1.00 0.00 H new ATOM 630 N SER A 41 7.248 -13.282 10.627 1.00 0.00 N ATOM 631 CA SER A 41 8.550 -13.411 9.964 1.00 0.00 C ATOM 632 C SER A 41 9.234 -14.766 10.173 1.00 0.00 C ATOM 633 O SER A 41 9.315 -15.246 11.308 1.00 0.00 O ATOM 634 CB SER A 41 9.483 -12.291 10.408 1.00 0.00 C ATOM 635 OG SER A 41 10.688 -12.354 9.661 1.00 0.00 O ATOM 0 H SER A 41 7.289 -12.800 11.525 1.00 0.00 H new ATOM 0 HA SER A 41 8.342 -13.336 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.002 -11.324 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.698 -12.383 11.473 1.00 0.00 H new ATOM 0 HG SER A 41 11.287 -11.633 9.945 1.00 0.00 H new ATOM 641 N PRO A 42 9.824 -15.346 9.109 1.00 0.00 N ATOM 642 CA PRO A 42 10.772 -16.447 9.235 1.00 0.00 C ATOM 643 C PRO A 42 12.132 -16.041 9.843 1.00 0.00 C ATOM 644 O PRO A 42 12.887 -16.913 10.278 1.00 0.00 O ATOM 645 CB PRO A 42 10.953 -17.007 7.817 1.00 0.00 C ATOM 646 CG PRO A 42 9.733 -16.502 7.048 1.00 0.00 C ATOM 647 CD PRO A 42 9.452 -15.160 7.716 1.00 0.00 C ATOM 0 HA PRO A 42 10.377 -17.186 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.880 -16.654 7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.996 -18.096 7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.942 -16.390 5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.887 -17.184 7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.033 -14.361 7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.402 -14.885 7.622 1.00 0.00 H new ATOM 655 N MET A 43 12.463 -14.741 9.853 1.00 0.00 N ATOM 656 CA MET A 43 13.780 -14.198 10.240 1.00 0.00 C ATOM 657 C MET A 43 13.762 -13.352 11.528 1.00 0.00 C ATOM 658 O MET A 43 14.805 -13.180 12.163 1.00 0.00 O ATOM 659 CB MET A 43 14.341 -13.359 9.082 1.00 0.00 C ATOM 660 CG MET A 43 14.717 -14.221 7.866 1.00 0.00 C ATOM 661 SD MET A 43 14.427 -13.422 6.266 1.00 0.00 S ATOM 662 CE MET A 43 12.616 -13.527 6.253 1.00 0.00 C ATOM 0 H MET A 43 11.802 -14.012 9.584 1.00 0.00 H new ATOM 0 HA MET A 43 14.416 -15.057 10.453 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.602 -12.616 8.783 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.221 -12.814 9.424 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.771 -14.490 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.147 -15.149 7.904 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.256 -13.476 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.303 -14.470 6.701 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.199 -12.698 6.825 1.00 0.00 H new ATOM 672 N PHE A 44 12.597 -12.824 11.918 1.00 0.00 N ATOM 673 CA PHE A 44 12.393 -11.933 13.069 1.00 0.00 C ATOM 674 C PHE A 44 11.364 -12.504 14.065 1.00 0.00 C ATOM 675 O PHE A 44 10.513 -13.323 13.717 1.00 0.00 O ATOM 676 CB PHE A 44 12.010 -10.533 12.554 1.00 0.00 C ATOM 677 CG PHE A 44 11.723 -9.512 13.639 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.779 -8.978 14.403 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.397 -9.126 13.915 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.508 -8.066 15.440 1.00 0.00 C ATOM 681 CE2 PHE A 44 10.127 -8.213 14.950 1.00 0.00 C ATOM 682 CZ PHE A 44 11.182 -7.685 15.715 1.00 0.00 C ATOM 0 H PHE A 44 11.729 -13.014 11.417 1.00 0.00 H new ATOM 0 HA PHE A 44 13.322 -11.852 13.633 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.819 -10.158 11.927 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.129 -10.624 11.918 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.798 -9.269 14.193 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.585 -9.532 13.330 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.319 -7.658 16.025 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.109 -7.917 15.157 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.975 -6.988 16.513 1.00 0.00 H new ATOM 692 N ASP A 45 11.434 -12.059 15.320 1.00 0.00 N ATOM 693 CA ASP A 45 10.628 -12.556 16.447 1.00 0.00 C ATOM 694 C ASP A 45 9.287 -11.801 16.581 1.00 0.00 C ATOM 695 O ASP A 45 8.956 -11.249 17.635 1.00 0.00 O ATOM 696 CB ASP A 45 11.494 -12.540 17.720 1.00 0.00 C ATOM 697 CG ASP A 45 10.816 -13.225 18.924 1.00 0.00 C ATOM 698 OD1 ASP A 45 10.171 -14.286 18.745 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.970 -12.731 20.069 1.00 0.00 O ATOM 0 H ASP A 45 12.076 -11.315 15.595 1.00 0.00 H new ATOM 0 HA ASP A 45 10.330 -13.588 16.265 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.442 -13.037 17.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.726 -11.507 17.981 1.00 0.00 H new ATOM 704 N GLY A 46 8.526 -11.721 15.485 1.00 0.00 N ATOM 705 CA GLY A 46 7.283 -10.959 15.398 1.00 0.00 C ATOM 706 C GLY A 46 6.785 -10.777 13.963 1.00 0.00 C ATOM 707 O GLY A 46 7.117 -11.548 13.056 1.00 0.00 O ATOM 0 H GLY A 46 8.766 -12.197 14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.513 -11.465 15.981 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.433 -9.979 15.850 1.00 0.00 H new ATOM 711 N LYS A 47 5.976 -9.735 13.767 1.00 0.00 N ATOM 712 CA LYS A 47 5.310 -9.383 12.506 1.00 0.00 C ATOM 713 C LYS A 47 6.117 -8.314 11.765 1.00 0.00 C ATOM 714 O LYS A 47 6.645 -7.392 12.390 1.00 0.00 O ATOM 715 CB LYS A 47 3.875 -8.918 12.811 1.00 0.00 C ATOM 716 CG LYS A 47 3.010 -10.003 13.496 1.00 0.00 C ATOM 717 CD LYS A 47 2.173 -10.851 12.527 1.00 0.00 C ATOM 718 CE LYS A 47 1.039 -10.070 11.844 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.063 -9.716 12.784 1.00 0.00 N ATOM 0 H LYS A 47 5.755 -9.080 14.517 1.00 0.00 H new ATOM 0 HA LYS A 47 5.255 -10.253 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.915 -8.037 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.394 -8.614 11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.662 -10.663 14.067 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.341 -9.521 14.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.829 -11.266 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.746 -11.693 13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.444 -9.158 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.635 -10.665 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.949 -10.157 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.169 -10.061 13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.180 -8.683 12.809 1.00 0.00 H new ATOM 733 N VAL A 48 6.209 -8.435 10.442 1.00 0.00 N ATOM 734 CA VAL A 48 7.012 -7.564 9.564 1.00 0.00 C ATOM 735 C VAL A 48 6.209 -7.090 8.342 1.00 0.00 C ATOM 736 O VAL A 48 5.370 -7.848 7.842 1.00 0.00 O ATOM 737 CB VAL A 48 8.318 -8.253 9.111 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.249 -8.512 10.305 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.090 -9.565 8.347 1.00 0.00 C ATOM 0 H VAL A 48 5.713 -9.163 9.928 1.00 0.00 H new ATOM 0 HA VAL A 48 7.278 -6.689 10.156 1.00 0.00 H new ATOM 0 HB VAL A 48 8.787 -7.555 8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.161 -8.998 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.502 -7.565 10.781 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.746 -9.157 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.052 -9.991 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.556 -10.269 8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.500 -9.367 7.452 1.00 0.00 H new ATOM 749 N PRO A 49 6.431 -5.856 7.847 1.00 0.00 N ATOM 750 CA PRO A 49 5.743 -5.335 6.669 1.00 0.00 C ATOM 751 C PRO A 49 6.414 -5.780 5.359 1.00 0.00 C ATOM 752 O PRO A 49 7.622 -5.619 5.174 1.00 0.00 O ATOM 753 CB PRO A 49 5.767 -3.811 6.829 1.00 0.00 C ATOM 754 CG PRO A 49 7.073 -3.564 7.586 1.00 0.00 C ATOM 755 CD PRO A 49 7.216 -4.799 8.476 1.00 0.00 C ATOM 0 HA PRO A 49 4.725 -5.719 6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.758 -3.304 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.903 -3.450 7.387 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.918 -3.462 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.027 -2.649 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.262 -5.093 8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.855 -4.595 9.484 1.00 0.00 H new ATOM 763 N HIS A 50 5.625 -6.300 4.416 1.00 0.00 N ATOM 764 CA HIS A 50 6.056 -6.580 3.038 1.00 0.00 C ATOM 765 C HIS A 50 5.665 -5.417 2.145 1.00 0.00 C ATOM 766 O HIS A 50 4.508 -5.334 1.755 1.00 0.00 O ATOM 767 CB HIS A 50 5.462 -7.915 2.547 1.00 0.00 C ATOM 768 CG HIS A 50 6.228 -9.124 3.024 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.338 -10.342 2.348 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.948 -9.193 4.177 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.122 -11.117 3.119 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.521 -10.445 4.214 1.00 0.00 N ATOM 0 H HIS A 50 4.650 -6.544 4.589 1.00 0.00 H new ATOM 0 HA HIS A 50 7.140 -6.685 3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.429 -7.991 2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.440 -7.915 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.050 -8.416 4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.393 -12.137 2.891 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.139 -10.800 4.943 1.00 0.00 H new ATOM 780 N TRP A 51 6.603 -4.508 1.859 1.00 0.00 N ATOM 781 CA TRP A 51 6.347 -3.315 1.051 1.00 0.00 C ATOM 782 C TRP A 51 6.315 -3.643 -0.446 1.00 0.00 C ATOM 783 O TRP A 51 7.104 -4.443 -0.942 1.00 0.00 O ATOM 784 CB TRP A 51 7.411 -2.246 1.316 1.00 0.00 C ATOM 785 CG TRP A 51 7.520 -1.772 2.732 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.436 -2.204 3.628 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.700 -0.785 3.436 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.239 -1.565 4.835 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.168 -0.701 4.781 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.592 0.026 3.089 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.565 0.126 5.738 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.981 0.865 4.047 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.470 0.918 5.364 1.00 0.00 C ATOM 0 H TRP A 51 7.567 -4.581 2.185 1.00 0.00 H new ATOM 0 HA TRP A 51 5.368 -2.933 1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.380 -2.641 1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.201 -1.386 0.680 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.204 -2.937 3.429 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.815 -1.714 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.209 0.003 2.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.939 0.153 6.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.132 1.470 3.766 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.002 1.569 6.088 1.00 0.00 H new ATOM 804 N TYR A 52 5.454 -2.956 -1.183 1.00 0.00 N ATOM 805 CA TYR A 52 5.405 -2.956 -2.637 1.00 0.00 C ATOM 806 C TYR A 52 5.064 -1.536 -3.132 1.00 0.00 C ATOM 807 O TYR A 52 4.576 -0.691 -2.372 1.00 0.00 O ATOM 808 CB TYR A 52 4.397 -3.992 -3.182 1.00 0.00 C ATOM 809 CG TYR A 52 4.092 -5.280 -2.420 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.356 -5.270 -1.214 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.430 -6.513 -3.009 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.004 -6.485 -0.583 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.062 -7.725 -2.396 1.00 0.00 C ATOM 814 CZ TYR A 52 3.361 -7.715 -1.174 1.00 0.00 C ATOM 815 OH TYR A 52 3.033 -8.897 -0.580 1.00 0.00 O ATOM 0 H TYR A 52 4.741 -2.358 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 52 6.384 -3.248 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.449 -3.472 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.746 -4.284 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.061 -4.330 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.977 -6.529 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.462 -6.472 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.317 -8.665 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 52 3.358 -9.641 -1.129 1.00 0.00 H new ATOM 825 N HIS A 53 5.279 -1.261 -4.422 1.00 0.00 N ATOM 826 CA HIS A 53 4.702 -0.072 -5.075 1.00 0.00 C ATOM 827 C HIS A 53 3.164 -0.085 -4.962 1.00 0.00 C ATOM 828 O HIS A 53 2.566 -1.153 -4.807 1.00 0.00 O ATOM 829 CB HIS A 53 5.125 -0.002 -6.554 1.00 0.00 C ATOM 830 CG HIS A 53 6.619 0.003 -6.781 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.424 -1.060 -7.214 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.417 1.093 -6.577 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.678 -0.584 -7.235 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.707 0.704 -6.863 1.00 0.00 N ATOM 0 H HIS A 53 5.847 -1.842 -5.038 1.00 0.00 H new ATOM 0 HA HIS A 53 5.083 0.813 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.693 -0.852 -7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.700 0.898 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.097 2.073 -6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.547 -1.161 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.538 1.292 -6.802 1.00 0.00 H new ATOM 842 N PHE A 54 2.508 1.078 -5.077 1.00 0.00 N ATOM 843 CA PHE A 54 1.040 1.167 -5.004 1.00 0.00 C ATOM 844 C PHE A 54 0.336 0.169 -5.947 1.00 0.00 C ATOM 845 O PHE A 54 -0.597 -0.514 -5.528 1.00 0.00 O ATOM 846 CB PHE A 54 0.572 2.596 -5.325 1.00 0.00 C ATOM 847 CG PHE A 54 -0.908 2.679 -5.681 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.896 2.471 -4.697 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.294 2.848 -7.027 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.254 2.410 -5.063 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.652 2.791 -7.389 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.630 2.564 -6.407 1.00 0.00 C ATOM 0 H PHE A 54 2.972 1.975 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 54 0.762 0.906 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.769 3.237 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.161 2.986 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.611 2.358 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.543 3.022 -7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.008 2.244 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.942 2.922 -8.421 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.672 2.508 -6.686 1.00 0.00 H new ATOM 862 N SER A 55 0.787 0.051 -7.202 1.00 0.00 N ATOM 863 CA SER A 55 0.164 -0.821 -8.204 1.00 0.00 C ATOM 864 C SER A 55 0.494 -2.297 -7.962 1.00 0.00 C ATOM 865 O SER A 55 -0.355 -3.162 -8.175 1.00 0.00 O ATOM 866 CB SER A 55 0.568 -0.370 -9.612 1.00 0.00 C ATOM 867 OG SER A 55 1.980 -0.384 -9.770 1.00 0.00 O ATOM 0 H SER A 55 1.598 0.560 -7.552 1.00 0.00 H new ATOM 0 HA SER A 55 -0.918 -0.731 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.110 -1.026 -10.352 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.188 0.635 -9.798 1.00 0.00 H new ATOM 0 HG SER A 55 2.219 0.054 -10.614 1.00 0.00 H new ATOM 873 N CYS A 56 1.703 -2.590 -7.476 1.00 0.00 N ATOM 874 CA CYS A 56 2.204 -3.935 -7.219 1.00 0.00 C ATOM 875 C CYS A 56 1.383 -4.709 -6.171 1.00 0.00 C ATOM 876 O CYS A 56 1.163 -5.908 -6.328 1.00 0.00 O ATOM 877 CB CYS A 56 3.673 -3.825 -6.814 1.00 0.00 C ATOM 878 SG CYS A 56 4.675 -3.270 -8.237 1.00 0.00 S ATOM 0 H CYS A 56 2.383 -1.866 -7.243 1.00 0.00 H new ATOM 0 HA CYS A 56 2.103 -4.520 -8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.779 -3.122 -5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.034 -4.790 -6.459 1.00 0.00 H new ATOM 883 N PHE A 57 0.865 -4.028 -5.148 1.00 0.00 N ATOM 884 CA PHE A 57 -0.084 -4.586 -4.178 1.00 0.00 C ATOM 885 C PHE A 57 -1.279 -5.262 -4.877 1.00 0.00 C ATOM 886 O PHE A 57 -1.654 -6.390 -4.550 1.00 0.00 O ATOM 887 CB PHE A 57 -0.555 -3.454 -3.262 1.00 0.00 C ATOM 888 CG PHE A 57 -1.586 -3.892 -2.242 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.934 -4.016 -2.625 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.199 -4.207 -0.927 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.891 -4.474 -1.709 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.167 -4.629 0.002 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.510 -4.772 -0.391 1.00 0.00 C ATOM 0 H PHE A 57 1.097 -3.052 -4.965 1.00 0.00 H new ATOM 0 HA PHE A 57 0.412 -5.360 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.306 -3.037 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.976 -2.655 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.233 -3.757 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.163 -4.125 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.919 -4.597 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.878 -4.844 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.248 -5.111 0.321 1.00 0.00 H new ATOM 903 N TRP A 58 -1.850 -4.602 -5.889 1.00 0.00 N ATOM 904 CA TRP A 58 -2.987 -5.119 -6.655 1.00 0.00 C ATOM 905 C TRP A 58 -2.565 -6.177 -7.689 1.00 0.00 C ATOM 906 O TRP A 58 -3.374 -7.039 -8.037 1.00 0.00 O ATOM 907 CB TRP A 58 -3.746 -3.951 -7.294 1.00 0.00 C ATOM 908 CG TRP A 58 -4.046 -2.803 -6.369 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.317 -1.668 -6.311 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.065 -2.660 -5.323 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.767 -0.861 -5.290 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.846 -1.419 -4.642 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.148 -3.448 -4.868 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.647 -0.992 -3.573 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.958 -3.027 -3.799 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.703 -1.807 -3.150 1.00 0.00 C ATOM 0 H TRP A 58 -1.532 -3.685 -6.202 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.659 -5.636 -5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.164 -3.577 -8.136 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.686 -4.327 -7.699 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.497 -1.427 -6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.353 0.038 -5.044 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.357 -4.391 -5.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.452 -0.049 -3.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.782 -3.645 -3.474 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.324 -1.497 -2.322 1.00 0.00 H new ATOM 927 N LYS A 59 -1.289 -6.196 -8.113 1.00 0.00 N ATOM 928 CA LYS A 59 -0.699 -7.283 -8.925 1.00 0.00 C ATOM 929 C LYS A 59 -0.534 -8.580 -8.121 1.00 0.00 C ATOM 930 O LYS A 59 -0.511 -9.657 -8.715 1.00 0.00 O ATOM 931 CB LYS A 59 0.652 -6.865 -9.532 1.00 0.00 C ATOM 932 CG LYS A 59 0.524 -5.703 -10.525 1.00 0.00 C ATOM 933 CD LYS A 59 1.899 -5.110 -10.886 1.00 0.00 C ATOM 934 CE LYS A 59 1.766 -3.587 -10.957 1.00 0.00 C ATOM 935 NZ LYS A 59 3.068 -2.897 -10.784 1.00 0.00 N ATOM 0 H LYS A 59 -0.628 -5.449 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.401 -7.476 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.332 -6.578 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.098 -7.721 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.028 -6.051 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.107 -4.925 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.641 -5.391 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.243 -5.505 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.334 -3.307 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.074 -3.249 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.905 -1.930 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.648 -3.418 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.564 -2.858 -11.697 1.00 0.00 H new ATOM 949 N VAL A 60 -0.459 -8.503 -6.785 1.00 0.00 N ATOM 950 CA VAL A 60 -0.525 -9.693 -5.900 1.00 0.00 C ATOM 951 C VAL A 60 -1.957 -10.270 -5.821 1.00 0.00 C ATOM 952 O VAL A 60 -2.139 -11.436 -5.470 1.00 0.00 O ATOM 953 CB VAL A 60 0.067 -9.381 -4.506 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.067 -10.577 -3.542 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.530 -8.937 -4.613 1.00 0.00 C ATOM 0 H VAL A 60 -0.351 -7.623 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 60 0.094 -10.474 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.582 -8.597 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.498 -10.275 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.956 -10.919 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.659 -11.387 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.919 -8.724 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.119 -9.732 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.594 -8.039 -5.227 1.00 0.00 H new ATOM 965 N GLY A 61 -2.976 -9.499 -6.224 1.00 0.00 N ATOM 966 CA GLY A 61 -4.363 -9.960 -6.373 1.00 0.00 C ATOM 967 C GLY A 61 -5.254 -9.788 -5.135 1.00 0.00 C ATOM 968 O GLY A 61 -6.325 -10.395 -5.068 1.00 0.00 O ATOM 0 H GLY A 61 -2.856 -8.514 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.819 -9.422 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.349 -11.015 -6.645 1.00 0.00 H new ATOM 972 N HIS A 62 -4.839 -8.978 -4.154 1.00 0.00 N ATOM 973 CA HIS A 62 -5.666 -8.626 -2.989 1.00 0.00 C ATOM 974 C HIS A 62 -6.829 -7.694 -3.367 1.00 0.00 C ATOM 975 O HIS A 62 -6.678 -6.802 -4.204 1.00 0.00 O ATOM 976 CB HIS A 62 -4.803 -7.985 -1.891 1.00 0.00 C ATOM 977 CG HIS A 62 -3.890 -8.966 -1.202 1.00 0.00 C ATOM 978 ND1 HIS A 62 -4.249 -9.803 -0.140 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.582 -9.187 -1.517 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.145 -10.509 0.158 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.135 -10.168 -0.660 1.00 0.00 N ATOM 0 H HIS A 62 -3.916 -8.545 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.099 -9.551 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.203 -7.187 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.455 -7.523 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.009 -8.691 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.079 -11.247 0.944 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.197 -10.568 -0.648 1.00 0.00 H new ATOM 989 N SER A 63 -7.968 -7.872 -2.690 1.00 0.00 N ATOM 990 CA SER A 63 -9.145 -6.992 -2.751 1.00 0.00 C ATOM 991 C SER A 63 -9.562 -6.608 -1.333 1.00 0.00 C ATOM 992 O SER A 63 -9.720 -7.471 -0.469 1.00 0.00 O ATOM 993 CB SER A 63 -10.314 -7.665 -3.481 1.00 0.00 C ATOM 994 OG SER A 63 -10.006 -7.868 -4.852 1.00 0.00 O ATOM 0 H SER A 63 -8.103 -8.663 -2.060 1.00 0.00 H new ATOM 0 HA SER A 63 -8.877 -6.098 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.540 -8.621 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.207 -7.047 -3.393 1.00 0.00 H new ATOM 0 HG SER A 63 -10.765 -8.300 -5.297 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.723 -5.309 -1.089 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.858 -4.697 0.238 1.00 0.00 C ATOM 1002 C ILE A 64 -11.318 -4.283 0.415 1.00 0.00 C ATOM 1003 O ILE A 64 -11.905 -3.661 -0.475 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.870 -3.515 0.372 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.437 -3.862 -0.101 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.855 -3.005 1.816 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.423 -2.735 0.128 1.00 0.00 C ATOM 0 H ILE A 64 -9.765 -4.621 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.603 -5.398 1.033 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.227 -2.726 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.098 -4.756 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.463 -4.105 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.156 -2.173 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.854 -2.670 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.544 -3.809 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.442 -3.050 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.738 -1.846 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.367 -2.507 1.192 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.925 -4.682 1.535 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.391 -4.720 1.701 1.00 0.00 C ATOM 1021 C ARG A 65 -13.916 -3.680 2.699 1.00 0.00 C ATOM 1022 O ARG A 65 -15.094 -3.327 2.653 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.883 -6.163 1.974 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.042 -6.993 2.964 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.841 -7.704 2.306 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.680 -7.723 3.211 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.492 -8.257 3.016 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.122 -8.806 1.900 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.623 -8.196 3.975 1.00 0.00 N ATOM 0 H ARG A 65 -11.415 -4.991 2.362 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.834 -4.417 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.904 -6.111 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.921 -6.697 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.677 -6.339 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.682 -7.739 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.118 -8.725 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.576 -7.196 1.379 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.814 -7.260 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.767 -8.841 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.186 -9.203 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.866 -7.742 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.696 -8.602 3.850 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.034 -3.135 3.538 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.257 -1.932 4.351 1.00 0.00 C ATOM 1045 C HIS A 66 -11.948 -1.127 4.467 1.00 0.00 C ATOM 1046 O HIS A 66 -11.318 -1.099 5.524 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.965 -2.250 5.692 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.437 -3.347 6.600 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.916 -4.554 6.228 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.562 -3.346 7.995 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.675 -5.267 7.378 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.073 -4.524 8.420 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.106 -3.534 3.678 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.967 -1.277 3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.980 -1.329 6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -15.001 -2.496 5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.970 -2.556 8.608 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.241 -6.254 7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.013 -4.811 9.397 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.485 -0.493 3.368 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.111 0.002 3.250 1.00 0.00 C ATOM 1062 C PRO A 67 -9.727 1.105 4.240 1.00 0.00 C ATOM 1063 O PRO A 67 -8.570 1.165 4.647 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.957 0.473 1.794 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.392 0.749 1.351 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.180 -0.322 2.098 1.00 0.00 C ATOM 0 HA PRO A 67 -9.424 -0.804 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.337 1.367 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.486 -0.290 1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.715 1.754 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.508 0.659 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.214 -0.013 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.207 -1.255 1.535 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.671 1.926 4.702 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.403 2.944 5.728 1.00 0.00 C ATOM 1076 C ASP A 68 -10.099 2.320 7.110 1.00 0.00 C ATOM 1077 O ASP A 68 -9.494 2.961 7.972 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.611 3.892 5.780 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.489 4.983 6.860 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.687 5.930 6.683 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.234 4.919 7.868 1.00 0.00 O ATOM 0 H ASP A 68 -11.639 1.908 4.380 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.505 3.501 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.732 4.367 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.513 3.309 5.964 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.484 1.053 7.304 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.244 0.256 8.514 1.00 0.00 C ATOM 1088 C VAL A 69 -9.015 -0.646 8.344 1.00 0.00 C ATOM 1089 O VAL A 69 -8.215 -0.792 9.268 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.484 -0.602 8.852 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.360 -1.247 10.237 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.787 0.211 8.822 1.00 0.00 C ATOM 0 H VAL A 69 -10.994 0.532 6.591 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.055 0.946 9.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.525 -1.371 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.249 -1.843 10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.479 -1.889 10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.263 -0.468 10.994 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.627 -0.439 9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.729 1.019 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.931 0.631 7.827 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.852 -1.248 7.162 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.834 -2.280 6.903 1.00 0.00 C ATOM 1104 C GLU A 70 -6.488 -1.725 6.439 1.00 0.00 C ATOM 1105 O GLU A 70 -5.453 -2.309 6.761 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.340 -3.280 5.847 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.593 -4.043 6.276 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.010 -5.075 5.218 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.500 -4.696 4.124 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.884 -6.292 5.495 1.00 0.00 O ATOM 0 H GLU A 70 -9.427 -1.033 6.348 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.670 -2.769 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.551 -2.743 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.547 -3.995 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.407 -4.547 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.409 -3.340 6.443 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.496 -0.616 5.697 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.294 0.049 5.187 1.00 0.00 C ATOM 1119 C VAL A 71 -4.834 1.090 6.194 1.00 0.00 C ATOM 1120 O VAL A 71 -5.312 2.222 6.249 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.496 0.630 3.788 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.123 1.025 3.263 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.061 -0.422 2.832 1.00 0.00 C ATOM 0 H VAL A 71 -7.359 -0.144 5.427 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.505 -0.694 5.071 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.187 1.471 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.223 1.446 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.680 1.768 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.481 0.145 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.195 0.019 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.369 -1.261 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.023 -0.774 3.205 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.865 0.687 7.001 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.153 1.566 7.913 1.00 0.00 C ATOM 1135 C ASP A 72 -2.310 2.603 7.153 1.00 0.00 C ATOM 1136 O ASP A 72 -1.763 2.319 6.091 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.318 0.673 8.820 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.425 1.477 9.768 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.956 2.283 10.561 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.186 1.287 9.720 1.00 0.00 O ATOM 0 H ASP A 72 -3.546 -0.281 7.040 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.845 2.156 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.979 0.033 9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.697 0.018 8.209 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.222 3.821 7.678 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.486 4.937 7.068 1.00 0.00 C ATOM 1147 C GLY A 73 -2.256 5.682 5.972 1.00 0.00 C ATOM 1148 O GLY A 73 -1.811 6.728 5.510 1.00 0.00 O ATOM 0 H GLY A 73 -2.669 4.071 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.214 5.646 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.556 4.555 6.646 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.465 5.229 5.624 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.426 5.943 4.769 1.00 0.00 C ATOM 1154 C PHE A 74 -4.798 7.330 5.335 1.00 0.00 C ATOM 1155 O PHE A 74 -5.106 8.251 4.579 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.652 5.023 4.648 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.805 5.539 3.815 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.850 5.274 2.434 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.868 6.227 4.433 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.949 5.709 1.673 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.961 6.669 3.668 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.991 6.422 2.288 1.00 0.00 C ATOM 0 H PHE A 74 -3.816 4.325 5.939 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.993 6.151 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.325 4.073 4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.023 4.815 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.042 4.737 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.843 6.415 5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.992 5.495 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.775 7.197 4.142 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.819 6.782 1.695 1.00 0.00 H new ATOM 1172 N SER A 75 -4.700 7.515 6.653 1.00 0.00 N ATOM 1173 CA SER A 75 -4.790 8.811 7.345 1.00 0.00 C ATOM 1174 C SER A 75 -3.639 9.783 7.032 1.00 0.00 C ATOM 1175 O SER A 75 -3.796 10.992 7.211 1.00 0.00 O ATOM 1176 CB SER A 75 -4.823 8.562 8.857 1.00 0.00 C ATOM 1177 OG SER A 75 -3.785 7.667 9.242 1.00 0.00 O ATOM 0 H SER A 75 -4.550 6.738 7.297 1.00 0.00 H new ATOM 0 HA SER A 75 -5.701 9.287 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.711 9.507 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.791 8.149 9.142 1.00 0.00 H new ATOM 0 HG SER A 75 -3.821 7.522 10.210 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.491 9.288 6.557 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.301 10.090 6.227 1.00 0.00 C ATOM 1185 C GLU A 76 -1.310 10.603 4.771 1.00 0.00 C ATOM 1186 O GLU A 76 -0.562 11.526 4.439 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.011 9.294 6.520 1.00 0.00 C ATOM 1188 CG GLU A 76 0.070 8.758 7.961 1.00 0.00 C ATOM 1189 CD GLU A 76 1.411 8.047 8.235 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.458 8.734 8.331 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.429 6.799 8.382 1.00 0.00 O ATOM 0 H GLU A 76 -2.357 8.291 6.386 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.327 10.971 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.054 8.456 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.851 9.933 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.054 9.583 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.752 8.064 8.137 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.177 10.043 3.915 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.451 10.487 2.537 1.00 0.00 C ATOM 1200 C LEU A 77 -3.224 11.824 2.513 1.00 0.00 C ATOM 1201 O LEU A 77 -3.674 12.329 3.547 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.249 9.379 1.803 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.440 8.219 1.190 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.399 7.592 2.113 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.403 7.129 0.715 1.00 0.00 C ATOM 0 H LEU A 77 -2.734 9.229 4.175 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.503 10.659 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.966 8.956 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.824 9.849 1.005 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.878 8.660 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.885 6.787 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.675 8.350 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.892 7.191 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.835 6.306 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.984 6.762 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.077 7.541 -0.036 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.411 12.405 1.321 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.368 13.498 1.062 1.00 0.00 C ATOM 1219 C ARG A 78 -5.570 13.028 0.253 1.00 0.00 C ATOM 1220 O ARG A 78 -5.597 11.909 -0.265 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.658 14.721 0.444 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.635 15.355 1.400 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.263 15.882 2.704 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.218 16.302 3.660 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.477 15.504 4.411 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.694 14.221 4.486 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -0.482 15.981 5.100 1.00 0.00 N ATOM 0 H ARG A 78 -2.892 12.125 0.489 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.773 13.823 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.154 14.418 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.403 15.467 0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.872 14.617 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.132 16.176 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.918 16.724 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.882 15.106 3.154 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.052 17.304 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.457 13.801 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.101 13.637 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.268 16.978 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.084 15.358 5.676 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.595 13.881 0.211 1.00 0.00 N ATOM 1242 CA TRP A 79 -7.960 13.497 -0.151 1.00 0.00 C ATOM 1243 C TRP A 79 -8.058 12.806 -1.522 1.00 0.00 C ATOM 1244 O TRP A 79 -8.808 11.843 -1.657 1.00 0.00 O ATOM 1245 CB TRP A 79 -8.900 14.715 -0.023 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.801 15.002 -1.190 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.091 14.618 -1.318 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.480 15.731 -2.414 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.588 15.056 -2.532 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.635 15.747 -3.251 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.320 16.369 -2.904 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.642 16.376 -4.507 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.314 17.003 -4.160 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.471 17.008 -4.962 1.00 0.00 C ATOM 0 H TRP A 79 -6.498 14.872 0.431 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.289 12.737 0.557 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.523 14.572 0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.288 15.599 0.159 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.648 14.055 -0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.541 14.889 -2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.422 16.370 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.535 16.374 -5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.416 17.489 -4.511 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.459 17.496 -5.925 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.268 13.229 -2.514 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.304 12.678 -3.876 1.00 0.00 C ATOM 1267 C ASP A 80 -6.783 11.230 -3.959 1.00 0.00 C ATOM 1268 O ASP A 80 -7.306 10.425 -4.730 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.497 13.596 -4.804 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.600 13.165 -6.278 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.702 13.275 -6.868 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.570 12.750 -6.862 1.00 0.00 O ATOM 0 H ASP A 80 -6.578 13.971 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.347 12.639 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.855 14.620 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.451 13.591 -4.498 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.807 10.859 -3.124 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.332 9.483 -3.016 1.00 0.00 C ATOM 1279 C ASP A 81 -6.229 8.665 -2.089 1.00 0.00 C ATOM 1280 O ASP A 81 -6.445 7.484 -2.340 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.869 9.408 -2.579 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.922 9.923 -3.668 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.819 9.263 -4.729 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.260 10.962 -3.440 1.00 0.00 O ATOM 0 H ASP A 81 -5.325 11.510 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.386 9.047 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.731 9.994 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.615 8.376 -2.335 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.848 9.287 -1.083 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.930 8.649 -0.334 1.00 0.00 C ATOM 1291 C GLN A 82 -9.115 8.289 -1.249 1.00 0.00 C ATOM 1292 O GLN A 82 -9.705 7.224 -1.076 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.353 9.537 0.844 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.277 9.551 1.942 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.562 10.548 3.066 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.381 11.453 2.966 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -6.873 10.442 4.179 1.00 0.00 N ATOM 0 H GLN A 82 -6.618 10.230 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.562 7.708 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.531 10.553 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.294 9.174 1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.191 8.551 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.313 9.790 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.186 9.696 4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.025 11.106 4.938 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.411 9.087 -2.286 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.412 8.721 -3.294 1.00 0.00 C ATOM 1308 C GLN A 83 -9.931 7.563 -4.182 1.00 0.00 C ATOM 1309 O GLN A 83 -10.706 6.645 -4.440 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.831 9.907 -4.191 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.387 11.173 -3.516 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.163 10.920 -2.225 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.317 10.510 -2.226 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.556 11.144 -1.079 1.00 0.00 N ATOM 0 H GLN A 83 -8.969 9.992 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.286 8.403 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.963 10.200 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.585 9.545 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.558 11.847 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.040 11.687 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.595 11.486 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.047 10.976 -0.201 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.667 7.557 -4.633 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.156 6.595 -5.611 1.00 0.00 C ATOM 1325 C LYS A 84 -7.852 5.256 -4.975 1.00 0.00 C ATOM 1326 O LYS A 84 -8.089 4.235 -5.603 1.00 0.00 O ATOM 1327 CB LYS A 84 -6.983 7.201 -6.402 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.579 7.123 -5.793 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.801 5.897 -6.276 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.331 5.920 -5.837 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.581 7.073 -6.402 1.00 0.00 N ATOM 0 H LYS A 84 -7.966 8.230 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.937 6.384 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.951 6.712 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.210 8.252 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.024 8.026 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.658 7.095 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.277 4.995 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.851 5.845 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.282 5.958 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.849 4.992 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.618 6.771 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.068 7.420 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.532 7.835 -5.696 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.398 5.235 -3.722 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.150 3.983 -2.990 1.00 0.00 C ATOM 1347 C VAL A 85 -8.476 3.302 -2.631 1.00 0.00 C ATOM 1348 O VAL A 85 -8.606 2.094 -2.833 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.248 4.234 -1.762 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.097 3.013 -0.839 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.846 4.656 -2.227 1.00 0.00 C ATOM 0 H VAL A 85 -7.191 6.077 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.606 3.293 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.740 5.020 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.449 3.269 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.077 2.717 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.658 2.187 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.212 4.832 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.412 3.865 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.918 5.571 -2.815 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.506 4.065 -2.225 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.868 3.527 -2.038 1.00 0.00 C ATOM 1363 C LYS A 86 -11.492 3.071 -3.363 1.00 0.00 C ATOM 1364 O LYS A 86 -12.017 1.961 -3.432 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.772 4.545 -1.321 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.368 4.749 0.150 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.288 5.735 0.888 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.685 5.152 1.122 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.584 6.127 1.795 1.00 0.00 N ATOM 0 H LYS A 86 -9.422 5.060 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.781 2.645 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.726 5.500 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.807 4.205 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.386 3.788 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.342 5.114 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.841 6.000 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.371 6.655 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.120 4.855 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.606 4.251 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.520 5.696 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.182 6.391 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.680 6.977 1.203 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.364 3.859 -4.439 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.833 3.485 -5.790 1.00 0.00 C ATOM 1385 C LYS A 87 -11.129 2.233 -6.303 1.00 0.00 C ATOM 1386 O LYS A 87 -11.790 1.353 -6.836 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.688 4.687 -6.744 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.268 4.463 -8.155 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.242 3.929 -9.173 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.872 3.641 -10.545 1.00 0.00 C ATOM 1391 NZ LYS A 87 -12.304 4.878 -11.251 1.00 0.00 N ATOM 0 H LYS A 87 -10.930 4.781 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.891 3.228 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.180 5.550 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.631 4.935 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.099 3.761 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.675 5.404 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.439 4.656 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.791 3.016 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.153 3.106 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.731 2.983 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.721 4.626 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.011 5.377 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.482 5.496 -11.402 1.00 0.00 H new ATOM 1405 N THR A 88 -9.820 2.102 -6.094 1.00 0.00 N ATOM 1406 CA THR A 88 -9.039 0.928 -6.516 1.00 0.00 C ATOM 1407 C THR A 88 -9.413 -0.335 -5.729 1.00 0.00 C ATOM 1408 O THR A 88 -9.449 -1.427 -6.301 1.00 0.00 O ATOM 1409 CB THR A 88 -7.533 1.207 -6.431 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.211 2.322 -7.231 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.726 0.066 -7.024 1.00 0.00 C ATOM 0 H THR A 88 -9.261 2.813 -5.622 1.00 0.00 H new ATOM 0 HA THR A 88 -9.292 0.737 -7.559 1.00 0.00 H new ATOM 0 HB THR A 88 -7.302 1.355 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.603 3.130 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.663 0.295 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.939 -0.853 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.996 -0.064 -8.072 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.780 -0.197 -4.453 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.281 -1.295 -3.635 1.00 0.00 C ATOM 1421 C ALA A 89 -11.685 -1.729 -4.085 1.00 0.00 C ATOM 1422 O ALA A 89 -11.957 -2.925 -4.199 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.260 -0.836 -2.177 1.00 0.00 C ATOM 0 H ALA A 89 -9.736 0.693 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.647 -2.174 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.630 -1.638 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.239 -0.585 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.896 0.042 -2.063 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.546 -0.769 -4.443 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.868 -1.042 -5.024 1.00 0.00 C ATOM 1431 C GLU A 90 -13.776 -1.645 -6.439 1.00 0.00 C ATOM 1432 O GLU A 90 -14.599 -2.478 -6.824 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.708 0.247 -5.056 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.187 0.706 -3.672 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.343 -0.171 -3.148 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.522 0.123 -3.462 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.084 -1.157 -2.416 1.00 0.00 O ATOM 0 H GLU A 90 -12.345 0.225 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.352 -1.782 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.118 1.044 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.575 0.089 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.355 0.670 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.514 1.744 -3.726 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.745 -1.262 -7.193 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.413 -1.771 -8.522 1.00 0.00 C ATOM 1446 C ALA A 91 -11.789 -3.186 -8.504 1.00 0.00 C ATOM 1447 O ALA A 91 -11.672 -3.819 -9.557 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.478 -0.741 -9.176 1.00 0.00 C ATOM 0 H ALA A 91 -12.086 -0.552 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.329 -1.892 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.203 -1.081 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.988 0.220 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.579 -0.630 -8.570 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.387 -3.692 -7.330 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.704 -4.983 -7.176 1.00 0.00 C ATOM 1456 C GLY A 92 -9.281 -5.000 -7.754 1.00 0.00 C ATOM 1457 O GLY A 92 -8.820 -6.043 -8.225 1.00 0.00 O ATOM 0 H GLY A 92 -11.530 -3.206 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.660 -5.237 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.295 -5.758 -7.665 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.604 -3.847 -7.766 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.288 -3.636 -8.363 1.00 0.00 C ATOM 1463 C GLY A 93 -7.292 -2.621 -9.509 1.00 0.00 C ATOM 1464 O GLY A 93 -8.289 -2.425 -10.207 1.00 0.00 O ATOM 0 H GLY A 93 -8.978 -2.999 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.598 -3.297 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.909 -4.589 -8.733 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.150 -1.952 -9.681 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.943 -0.878 -10.671 1.00 0.00 C ATOM 1470 C VAL A 94 -5.876 -1.418 -12.108 1.00 0.00 C ATOM 1471 O VAL A 94 -5.341 -2.500 -12.362 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.733 -0.001 -10.281 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.402 -0.762 -10.238 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.572 1.221 -11.191 1.00 0.00 C ATOM 0 H VAL A 94 -5.318 -2.143 -9.123 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.817 -0.227 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.967 0.328 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.601 -0.078 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.466 -1.567 -9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.191 -1.183 -11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.707 1.801 -10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.428 0.892 -12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.467 1.840 -11.130 1.00 0.00 H new ATOM 1484 N THR A 95 -6.433 -0.666 -13.061 1.00 0.00 N ATOM 1485 CA THR A 95 -6.569 -1.069 -14.474 1.00 0.00 C ATOM 1486 C THR A 95 -5.239 -1.160 -15.208 1.00 0.00 C ATOM 1487 O THR A 95 -4.989 -2.157 -15.888 1.00 0.00 O ATOM 1488 CB THR A 95 -7.521 -0.123 -15.227 1.00 0.00 C ATOM 1489 OG1 THR A 95 -7.152 1.224 -14.996 1.00 0.00 O ATOM 1490 CG2 THR A 95 -8.967 -0.289 -14.760 1.00 0.00 C ATOM 0 H THR A 95 -6.812 0.262 -12.873 1.00 0.00 H new ATOM 0 HA THR A 95 -6.991 -2.074 -14.457 1.00 0.00 H new ATOM 0 HB THR A 95 -7.447 -0.375 -16.285 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.762 1.818 -15.481 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.609 0.395 -15.314 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.291 -1.315 -14.937 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.033 -0.066 -13.695 1.00 0.00 H new ATOM 1498 N GLY A 96 -4.361 -0.171 -15.041 1.00 0.00 N ATOM 1499 CA GLY A 96 -3.046 -0.168 -15.674 1.00 0.00 C ATOM 1500 C GLY A 96 -1.998 -0.989 -14.911 1.00 0.00 C ATOM 1501 O GLY A 96 -1.934 -0.938 -13.681 1.00 0.00 O ATOM 0 H GLY A 96 -4.543 0.649 -14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.138 -0.562 -16.686 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.696 0.861 -15.762 1.00 0.00 H new ATOM 1505 N LYS A 97 -1.163 -1.732 -15.650 1.00 0.00 N ATOM 1506 CA LYS A 97 -0.029 -2.537 -15.148 1.00 0.00 C ATOM 1507 C LYS A 97 1.311 -2.051 -15.725 1.00 0.00 C ATOM 1508 O LYS A 97 1.350 -1.401 -16.773 1.00 0.00 O ATOM 1509 CB LYS A 97 -0.263 -4.035 -15.457 1.00 0.00 C ATOM 1510 CG LYS A 97 -0.702 -4.870 -14.241 1.00 0.00 C ATOM 1511 CD LYS A 97 -2.077 -4.542 -13.638 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.205 -4.691 -14.668 1.00 0.00 C ATOM 1513 NZ LYS A 97 -4.542 -4.653 -14.026 1.00 0.00 N ATOM 0 H LYS A 97 -1.260 -1.795 -16.663 1.00 0.00 H new ATOM 0 HA LYS A 97 0.026 -2.410 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.022 -4.120 -16.235 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.656 -4.459 -15.862 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.700 -5.921 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.049 -4.753 -13.459 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.269 -5.202 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.070 -3.523 -13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.132 -3.892 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.086 -5.632 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.280 -4.688 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.645 -5.470 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.639 -3.774 -13.479 1.00 0.00 H new ATOM 1527 N GLY A 98 2.409 -2.386 -15.045 1.00 0.00 N ATOM 1528 CA GLY A 98 3.780 -2.034 -15.435 1.00 0.00 C ATOM 1529 C GLY A 98 4.819 -2.310 -14.340 1.00 0.00 C ATOM 1530 O GLY A 98 4.481 -2.795 -13.256 1.00 0.00 O ATOM 0 H GLY A 98 2.370 -2.926 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.050 -2.595 -16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.814 -0.977 -15.699 1.00 0.00 H new ATOM 1534 N GLN A 99 6.079 -1.975 -14.625 1.00 0.00 N ATOM 1535 CA GLN A 99 7.231 -2.091 -13.719 1.00 0.00 C ATOM 1536 C GLN A 99 8.027 -0.773 -13.706 1.00 0.00 C ATOM 1537 O GLN A 99 8.333 -0.213 -14.762 1.00 0.00 O ATOM 1538 CB GLN A 99 8.098 -3.281 -14.167 1.00 0.00 C ATOM 1539 CG GLN A 99 9.302 -3.547 -13.247 1.00 0.00 C ATOM 1540 CD GLN A 99 10.129 -4.754 -13.696 1.00 0.00 C ATOM 1541 OE1 GLN A 99 10.318 -5.018 -14.878 1.00 0.00 O ATOM 1542 NE2 GLN A 99 10.674 -5.536 -12.790 1.00 0.00 N ATOM 0 H GLN A 99 6.340 -1.597 -15.536 1.00 0.00 H new ATOM 0 HA GLN A 99 6.894 -2.274 -12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.478 -4.176 -14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.458 -3.096 -15.179 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.939 -2.663 -13.223 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.948 -3.712 -12.229 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.535 -5.342 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.236 -6.337 -13.079 1.00 0.00 H new ATOM 1551 N ASP A 100 8.362 -0.276 -12.514 1.00 0.00 N ATOM 1552 CA ASP A 100 9.106 0.973 -12.290 1.00 0.00 C ATOM 1553 C ASP A 100 9.814 0.955 -10.918 1.00 0.00 C ATOM 1554 O ASP A 100 9.457 0.167 -10.042 1.00 0.00 O ATOM 1555 CB ASP A 100 8.128 2.162 -12.388 1.00 0.00 C ATOM 1556 CG ASP A 100 8.823 3.536 -12.329 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.953 3.673 -12.857 1.00 0.00 O ATOM 1558 OD2 ASP A 100 8.235 4.485 -11.758 1.00 0.00 O ATOM 0 H ASP A 100 8.115 -0.747 -11.643 1.00 0.00 H new ATOM 0 HA ASP A 100 9.878 1.075 -13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.569 2.086 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.404 2.095 -11.576 1.00 0.00 H new ATOM 1563 N GLY A 101 10.804 1.828 -10.720 1.00 0.00 N ATOM 1564 CA GLY A 101 11.507 2.019 -9.446 1.00 0.00 C ATOM 1565 C GLY A 101 12.938 2.534 -9.611 1.00 0.00 C ATOM 1566 O GLY A 101 13.525 2.447 -10.694 1.00 0.00 O ATOM 0 H GLY A 101 11.149 2.439 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.945 2.722 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.530 1.072 -8.907 1.00 0.00 H new ATOM 1570 N ILE A 102 13.520 3.056 -8.528 1.00 0.00 N ATOM 1571 CA ILE A 102 14.917 3.522 -8.487 1.00 0.00 C ATOM 1572 C ILE A 102 15.551 3.306 -7.103 1.00 0.00 C ATOM 1573 O ILE A 102 14.896 3.447 -6.070 1.00 0.00 O ATOM 1574 CB ILE A 102 15.031 4.985 -8.994 1.00 0.00 C ATOM 1575 CG1 ILE A 102 16.484 5.490 -9.134 1.00 0.00 C ATOM 1576 CG2 ILE A 102 14.251 5.979 -8.119 1.00 0.00 C ATOM 1577 CD1 ILE A 102 17.343 4.648 -10.086 1.00 0.00 C ATOM 0 H ILE A 102 13.031 3.170 -7.640 1.00 0.00 H new ATOM 0 HA ILE A 102 15.500 2.910 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 102 14.587 4.946 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.468 6.520 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 102 16.952 5.499 -8.150 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.367 6.986 -8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.195 5.709 -8.115 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.638 5.948 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 102 18.349 5.064 -10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.391 3.622 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.900 4.659 -11.082 1.00 0.00 H new ATOM 1589 N GLY A 103 16.831 2.931 -7.104 1.00 0.00 N ATOM 1590 CA GLY A 103 17.634 2.549 -5.940 1.00 0.00 C ATOM 1591 C GLY A 103 19.049 2.159 -6.384 1.00 0.00 C ATOM 1592 O GLY A 103 19.673 2.885 -7.163 1.00 0.00 O ATOM 0 H GLY A 103 17.368 2.883 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.681 3.377 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 103 17.163 1.714 -5.422 1.00 0.00 H new ATOM 1596 N SER A 104 19.542 0.992 -5.958 1.00 0.00 N ATOM 1597 CA SER A 104 20.818 0.422 -6.429 1.00 0.00 C ATOM 1598 C SER A 104 20.682 -0.161 -7.851 1.00 0.00 C ATOM 1599 O SER A 104 20.521 -1.369 -8.048 1.00 0.00 O ATOM 1600 CB SER A 104 21.349 -0.598 -5.413 1.00 0.00 C ATOM 1601 OG SER A 104 22.705 -0.909 -5.701 1.00 0.00 O ATOM 0 H SER A 104 19.066 0.408 -5.271 1.00 0.00 H new ATOM 0 HA SER A 104 21.557 1.220 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.266 -0.195 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.745 -1.504 -5.445 1.00 0.00 H new ATOM 0 HG SER A 104 23.037 -1.559 -5.048 1.00 0.00 H new ATOM 1607 N LYS A 105 20.687 0.733 -8.852 1.00 0.00 N ATOM 1608 CA LYS A 105 20.484 0.445 -10.289 1.00 0.00 C ATOM 1609 C LYS A 105 21.734 0.701 -11.158 1.00 0.00 C ATOM 1610 O LYS A 105 21.735 0.376 -12.345 1.00 0.00 O ATOM 1611 CB LYS A 105 19.221 1.211 -10.745 1.00 0.00 C ATOM 1612 CG LYS A 105 18.811 0.959 -12.208 1.00 0.00 C ATOM 1613 CD LYS A 105 17.376 1.401 -12.533 1.00 0.00 C ATOM 1614 CE LYS A 105 16.351 0.386 -12.014 1.00 0.00 C ATOM 1615 NZ LYS A 105 14.971 0.735 -12.430 1.00 0.00 N ATOM 0 H LYS A 105 20.840 1.726 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 105 20.322 -0.624 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 105 18.390 0.934 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.391 2.279 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.502 1.487 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.912 -0.104 -12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 105 17.183 2.377 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 105 17.264 1.516 -13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 105 16.603 -0.607 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 105 16.402 0.341 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 14.404 -0.133 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.542 1.361 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.998 1.222 -13.349 1.00 0.00 H new ATOM 1629 N ALA A 106 22.819 1.226 -10.577 1.00 0.00 N ATOM 1630 CA ALA A 106 24.076 1.516 -11.285 1.00 0.00 C ATOM 1631 C ALA A 106 24.706 0.264 -11.943 1.00 0.00 C ATOM 1632 O ALA A 106 25.293 0.355 -13.023 1.00 0.00 O ATOM 1633 CB ALA A 106 25.043 2.171 -10.291 1.00 0.00 C ATOM 0 H ALA A 106 22.851 1.466 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 106 23.861 2.194 -12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.984 2.396 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.605 3.094 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.229 1.489 -9.461 1.00 0.00 H new ATOM 1639 N GLU A 107 24.529 -0.910 -11.328 1.00 0.00 N ATOM 1640 CA GLU A 107 24.711 -2.227 -11.951 1.00 0.00 C ATOM 1641 C GLU A 107 23.718 -3.231 -11.333 1.00 0.00 C ATOM 1642 O GLU A 107 23.638 -3.346 -10.104 1.00 0.00 O ATOM 1643 CB GLU A 107 26.171 -2.693 -11.778 1.00 0.00 C ATOM 1644 CG GLU A 107 26.498 -4.013 -12.491 1.00 0.00 C ATOM 1645 CD GLU A 107 26.393 -3.890 -14.023 1.00 0.00 C ATOM 1646 OE1 GLU A 107 25.274 -4.052 -14.570 1.00 0.00 O ATOM 1647 OE2 GLU A 107 27.425 -3.635 -14.692 1.00 0.00 O ATOM 0 H GLU A 107 24.246 -0.973 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 107 24.507 -2.163 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.836 -1.915 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.381 -2.806 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.506 -4.329 -12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.817 -4.790 -12.143 1.00 0.00 H new ATOM 1654 N LYS A 108 22.947 -3.938 -12.171 1.00 0.00 N ATOM 1655 CA LYS A 108 21.911 -4.908 -11.765 1.00 0.00 C ATOM 1656 C LYS A 108 21.701 -5.996 -12.830 1.00 0.00 C ATOM 1657 O LYS A 108 21.874 -7.190 -12.497 1.00 0.00 O ATOM 1658 CB LYS A 108 20.606 -4.155 -11.430 1.00 0.00 C ATOM 1659 CG LYS A 108 19.540 -5.083 -10.822 1.00 0.00 C ATOM 1660 CD LYS A 108 18.322 -4.291 -10.326 1.00 0.00 C ATOM 1661 CE LYS A 108 17.286 -5.246 -9.718 1.00 0.00 C ATOM 1662 NZ LYS A 108 16.151 -4.507 -9.111 1.00 0.00 N ATOM 1663 OXT LYS A 108 21.384 -5.654 -13.994 1.00 0.00 O ATOM 0 H LYS A 108 23.027 -3.850 -13.184 1.00 0.00 H new ATOM 0 HA LYS A 108 22.246 -5.430 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 108 20.824 -3.347 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 108 20.211 -3.695 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.222 -5.812 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 108 19.973 -5.643 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.633 -3.558 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.877 -3.737 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.912 -5.918 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.764 -5.867 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.488 -5.182 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.509 -3.860 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.660 -3.960 -9.847 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.928 -2.943 -7.698 1.00 0.00 ZN