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 16 SER OG : rot 180:sc= 0.0547 USER MOD Set 1.2: A 104 SER OG : rot -139:sc= 0.0478 USER MOD Set 2.1: A 83 GLN : amide:sc= 0.914 K(o=2,f=-3.6) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0) USER MOD Set 3.1: A 9 TYR OH : rot -25:sc= 0.251 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.103 X(o=0.35,f=0.12) USER MOD Set 4.1: A 5 SER OG : rot -160:sc= 0.684 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -171:sc= 1.46 (180deg=0.985) USER MOD Set 5.1: A 4 SER OG : rot 180:sc= 0.0855 USER MOD Set 5.2: A 7 LYS NZ :NH3+ -155:sc= 2.29 (180deg=2.09) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0159 (180deg=0) USER MOD Single : A 13 TYR OH : rot 1:sc= 1.85 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0044) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.01 (180deg=1.01) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -170:sc= -0.0128 (180deg=-0.191) USER MOD Single : A 38 MET CE :methyl 157:sc= -1.71 (180deg=-3.26!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 SER OG : rot 130:sc= 0.385 USER MOD Single : A 43 MET CE :methyl 154:sc= -0.128 (180deg=-0.716) USER MOD Single : A 50 HIS : no HD1:sc=-0.00936 K(o=-0.0094,f=-0.63) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 78:sc= 0.255 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 1.41 (180deg=0.775) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0462 F(o=-0.72,f=-0.046) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 82 GLN : amide:sc= 1.05 K(o=1.1,f=-0.36) USER MOD Single : A 84 LYS NZ :NH3+ 131:sc= 1.3 (180deg=0.341) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.13) USER MOD Single : A 88 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.412 K(o=0.41,f=-3.3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= 1.2 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.340 4.423 24.343 1.00 0.00 N ATOM 2 CA MET A 1 0.837 4.222 22.959 1.00 0.00 C ATOM 3 C MET A 1 1.990 3.840 22.028 1.00 0.00 C ATOM 4 O MET A 1 3.078 4.412 22.124 1.00 0.00 O ATOM 5 CB MET A 1 0.061 5.463 22.463 1.00 0.00 C ATOM 6 CG MET A 1 -0.643 5.283 21.109 1.00 0.00 C ATOM 7 SD MET A 1 0.397 5.505 19.634 1.00 0.00 S ATOM 8 CE MET A 1 -0.800 5.063 18.346 1.00 0.00 C ATOM 0 H1 MET A 1 0.803 5.187 24.800 1.00 0.00 H new ATOM 0 H2 MET A 1 1.222 3.544 24.886 1.00 0.00 H new ATOM 0 H3 MET A 1 2.348 4.679 24.312 1.00 0.00 H new ATOM 0 HA MET A 1 0.128 3.394 22.957 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.684 5.731 23.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.754 6.301 22.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.076 4.283 21.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.471 5.990 21.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.328 5.144 17.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.140 4.039 18.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.653 5.740 18.395 1.00 0.00 H new ATOM 20 N ALA A 2 1.767 2.869 21.135 1.00 0.00 N ATOM 21 CA ALA A 2 2.725 2.413 20.120 1.00 0.00 C ATOM 22 C ALA A 2 2.019 1.993 18.812 1.00 0.00 C ATOM 23 O ALA A 2 0.807 1.763 18.789 1.00 0.00 O ATOM 24 CB ALA A 2 3.544 1.255 20.710 1.00 0.00 C ATOM 0 H ALA A 2 0.883 2.361 21.097 1.00 0.00 H new ATOM 0 HA ALA A 2 3.389 3.237 19.857 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.262 0.903 19.969 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.077 1.600 21.596 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.875 0.439 20.984 1.00 0.00 H new ATOM 30 N GLU A 3 2.781 1.863 17.721 1.00 0.00 N ATOM 31 CA GLU A 3 2.292 1.355 16.429 1.00 0.00 C ATOM 32 C GLU A 3 1.828 -0.113 16.544 1.00 0.00 C ATOM 33 O GLU A 3 2.558 -0.968 17.058 1.00 0.00 O ATOM 34 CB GLU A 3 3.401 1.524 15.373 1.00 0.00 C ATOM 35 CG GLU A 3 2.971 1.113 13.958 1.00 0.00 C ATOM 36 CD GLU A 3 4.107 1.338 12.940 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.141 0.629 13.008 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.968 2.210 12.047 1.00 0.00 O ATOM 0 H GLU A 3 3.770 2.111 17.708 1.00 0.00 H new ATOM 0 HA GLU A 3 1.420 1.931 16.119 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.721 2.566 15.358 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.266 0.929 15.668 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.680 0.063 13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.094 1.688 13.661 1.00 0.00 H new ATOM 45 N SER A 4 0.616 -0.411 16.061 1.00 0.00 N ATOM 46 CA SER A 4 -0.038 -1.728 16.160 1.00 0.00 C ATOM 47 C SER A 4 -0.178 -2.431 14.804 1.00 0.00 C ATOM 48 O SER A 4 -0.336 -1.781 13.766 1.00 0.00 O ATOM 49 CB SER A 4 -1.402 -1.578 16.847 1.00 0.00 C ATOM 50 OG SER A 4 -2.262 -0.735 16.093 1.00 0.00 O ATOM 0 H SER A 4 0.042 0.278 15.574 1.00 0.00 H new ATOM 0 HA SER A 4 0.606 -2.368 16.764 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.862 -2.559 16.967 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.266 -1.165 17.846 1.00 0.00 H new ATOM 0 HG SER A 4 -3.125 -0.656 16.550 1.00 0.00 H new ATOM 56 N SER A 5 -0.169 -3.769 14.811 1.00 0.00 N ATOM 57 CA SER A 5 -0.243 -4.628 13.612 1.00 0.00 C ATOM 58 C SER A 5 -1.550 -5.410 13.483 1.00 0.00 C ATOM 59 O SER A 5 -1.608 -6.435 12.806 1.00 0.00 O ATOM 60 CB SER A 5 1.004 -5.517 13.495 1.00 0.00 C ATOM 61 OG SER A 5 1.052 -6.489 14.533 1.00 0.00 O ATOM 0 H SER A 5 -0.108 -4.306 15.676 1.00 0.00 H new ATOM 0 HA SER A 5 -0.252 -3.957 12.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.006 -6.017 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.899 -4.897 13.535 1.00 0.00 H new ATOM 0 HG SER A 5 1.970 -6.818 14.631 1.00 0.00 H new ATOM 67 N ASP A 6 -2.633 -4.916 14.086 1.00 0.00 N ATOM 68 CA ASP A 6 -3.966 -5.530 14.011 1.00 0.00 C ATOM 69 C ASP A 6 -4.714 -5.215 12.690 1.00 0.00 C ATOM 70 O ASP A 6 -5.919 -4.951 12.673 1.00 0.00 O ATOM 71 CB ASP A 6 -4.753 -5.186 15.288 1.00 0.00 C ATOM 72 CG ASP A 6 -6.033 -6.029 15.461 1.00 0.00 C ATOM 73 OD1 ASP A 6 -5.992 -7.261 15.219 1.00 0.00 O ATOM 74 OD2 ASP A 6 -7.071 -5.475 15.895 1.00 0.00 O ATOM 0 H ASP A 6 -2.611 -4.066 14.649 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.855 -6.614 13.974 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.109 -5.334 16.155 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.022 -4.130 15.268 1.00 0.00 H new ATOM 79 N LYS A 7 -3.970 -5.202 11.575 1.00 0.00 N ATOM 80 CA LYS A 7 -4.391 -4.925 10.200 1.00 0.00 C ATOM 81 C LYS A 7 -3.790 -5.988 9.279 1.00 0.00 C ATOM 82 O LYS A 7 -3.001 -6.830 9.711 1.00 0.00 O ATOM 83 CB LYS A 7 -3.963 -3.503 9.777 1.00 0.00 C ATOM 84 CG LYS A 7 -4.401 -2.389 10.745 1.00 0.00 C ATOM 85 CD LYS A 7 -3.264 -2.002 11.701 1.00 0.00 C ATOM 86 CE LYS A 7 -3.737 -0.968 12.729 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.609 -0.136 13.214 1.00 0.00 N ATOM 0 H LYS A 7 -2.971 -5.403 11.620 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.478 -4.967 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.877 -3.478 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.375 -3.292 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.715 -1.513 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.265 -2.723 11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.899 -2.891 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.427 -1.597 11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.497 -0.328 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.205 -1.477 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.833 0.236 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.747 -0.716 13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.455 0.656 12.558 1.00 0.00 H new ATOM 101 N LEU A 8 -4.128 -5.919 7.998 1.00 0.00 N ATOM 102 CA LEU A 8 -3.495 -6.713 6.943 1.00 0.00 C ATOM 103 C LEU A 8 -2.645 -5.856 6.019 1.00 0.00 C ATOM 104 O LEU A 8 -1.740 -6.383 5.378 1.00 0.00 O ATOM 105 CB LEU A 8 -4.594 -7.371 6.096 1.00 0.00 C ATOM 106 CG LEU A 8 -5.590 -8.262 6.847 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.702 -8.632 5.872 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.920 -9.522 7.387 1.00 0.00 C ATOM 0 H LEU A 8 -4.862 -5.300 7.653 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.853 -7.452 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.153 -6.584 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.116 -7.970 5.321 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.988 -7.722 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.430 -9.268 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.194 -7.725 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.278 -9.168 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.657 -10.129 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.502 -10.095 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.122 -9.243 8.075 1.00 0.00 H new ATOM 120 N TYR A 9 -2.941 -4.559 5.932 1.00 0.00 N ATOM 121 CA TYR A 9 -2.503 -3.706 4.836 1.00 0.00 C ATOM 122 C TYR A 9 -2.018 -2.360 5.376 1.00 0.00 C ATOM 123 O TYR A 9 -2.467 -1.888 6.421 1.00 0.00 O ATOM 124 CB TYR A 9 -3.650 -3.535 3.821 1.00 0.00 C ATOM 125 CG TYR A 9 -4.298 -4.813 3.308 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.508 -5.879 2.846 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.700 -4.937 3.296 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.103 -7.077 2.402 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.304 -6.131 2.859 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.507 -7.212 2.418 1.00 0.00 C ATOM 131 OH TYR A 9 -6.089 -8.378 2.021 1.00 0.00 O ATOM 0 H TYR A 9 -3.499 -4.069 6.631 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.664 -4.173 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.424 -2.921 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.268 -2.979 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.433 -5.779 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.315 -4.112 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.485 -7.890 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.380 -6.222 2.861 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.488 -8.852 1.409 1.00 0.00 H new ATOM 141 N ARG A 10 -1.101 -1.733 4.644 1.00 0.00 N ATOM 142 CA ARG A 10 -0.496 -0.428 4.929 1.00 0.00 C ATOM 143 C ARG A 10 -0.474 0.393 3.638 1.00 0.00 C ATOM 144 O ARG A 10 -0.285 -0.183 2.572 1.00 0.00 O ATOM 145 CB ARG A 10 0.898 -0.662 5.559 1.00 0.00 C ATOM 146 CG ARG A 10 1.937 0.476 5.470 1.00 0.00 C ATOM 147 CD ARG A 10 1.559 1.754 6.237 1.00 0.00 C ATOM 148 NE ARG A 10 1.633 1.592 7.702 1.00 0.00 N ATOM 149 CZ ARG A 10 2.602 1.939 8.532 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.709 2.529 8.184 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.438 1.689 9.793 1.00 0.00 N ATOM 0 H ARG A 10 -0.737 -2.144 3.784 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.072 0.150 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.752 -0.898 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.331 -1.546 5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.890 0.109 5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.088 0.730 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.223 2.563 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.547 2.051 5.961 1.00 0.00 H new ATOM 0 HE ARG A 10 0.822 1.150 8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.879 2.758 7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.406 2.762 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.582 1.238 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.165 1.943 10.462 1.00 0.00 H new ATOM 165 N VAL A 11 -0.653 1.709 3.720 1.00 0.00 N ATOM 166 CA VAL A 11 -0.421 2.677 2.632 1.00 0.00 C ATOM 167 C VAL A 11 0.226 3.951 3.180 1.00 0.00 C ATOM 168 O VAL A 11 -0.071 4.364 4.301 1.00 0.00 O ATOM 169 CB VAL A 11 -1.736 2.973 1.890 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.659 3.943 2.640 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.483 3.590 0.509 1.00 0.00 C ATOM 0 H VAL A 11 -0.977 2.156 4.578 1.00 0.00 H new ATOM 0 HA VAL A 11 0.272 2.244 1.911 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.220 2.000 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.566 4.105 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.921 3.520 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.146 4.894 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.436 3.784 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.936 4.526 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.897 2.899 -0.096 1.00 0.00 H new ATOM 181 N GLU A 12 1.128 4.567 2.417 1.00 0.00 N ATOM 182 CA GLU A 12 1.836 5.791 2.799 1.00 0.00 C ATOM 183 C GLU A 12 2.593 6.387 1.610 1.00 0.00 C ATOM 184 O GLU A 12 2.907 5.706 0.630 1.00 0.00 O ATOM 185 CB GLU A 12 2.834 5.522 3.948 1.00 0.00 C ATOM 186 CG GLU A 12 3.847 4.411 3.639 1.00 0.00 C ATOM 187 CD GLU A 12 4.848 4.234 4.787 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.415 3.942 5.927 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.070 4.349 4.531 1.00 0.00 O ATOM 0 H GLU A 12 1.394 4.222 1.495 1.00 0.00 H new ATOM 0 HA GLU A 12 1.082 6.502 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.374 6.442 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.277 5.254 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.320 3.473 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.383 4.650 2.720 1.00 0.00 H new ATOM 196 N TYR A 13 2.945 7.663 1.731 1.00 0.00 N ATOM 197 CA TYR A 13 3.958 8.284 0.887 1.00 0.00 C ATOM 198 C TYR A 13 5.372 7.882 1.337 1.00 0.00 C ATOM 199 O TYR A 13 5.673 7.830 2.533 1.00 0.00 O ATOM 200 CB TYR A 13 3.766 9.799 0.905 1.00 0.00 C ATOM 201 CG TYR A 13 2.347 10.250 0.604 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.740 9.900 -0.618 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.636 11.011 1.550 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.460 10.395 -0.935 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.353 11.502 1.240 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.230 11.212 -0.013 1.00 0.00 C ATOM 207 OH TYR A 13 -1.456 11.712 -0.317 1.00 0.00 O ATOM 0 H TYR A 13 2.535 8.296 2.418 1.00 0.00 H new ATOM 0 HA TYR A 13 3.843 7.931 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.056 10.179 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.441 10.248 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.256 9.252 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.075 11.219 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.006 10.150 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.185 12.100 1.960 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.728 11.396 -1.204 1.00 0.00 H new ATOM 217 N ALA A 14 6.257 7.620 0.377 1.00 0.00 N ATOM 218 CA ALA A 14 7.638 7.215 0.601 1.00 0.00 C ATOM 219 C ALA A 14 8.516 8.409 1.018 1.00 0.00 C ATOM 220 O ALA A 14 9.168 9.041 0.180 1.00 0.00 O ATOM 221 CB ALA A 14 8.135 6.507 -0.668 1.00 0.00 C ATOM 0 H ALA A 14 6.021 7.687 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 14 7.702 6.517 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.169 6.192 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.513 5.633 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.076 7.192 -1.514 1.00 0.00 H new ATOM 227 N LYS A 15 8.559 8.705 2.325 1.00 0.00 N ATOM 228 CA LYS A 15 9.366 9.797 2.908 1.00 0.00 C ATOM 229 C LYS A 15 10.857 9.633 2.589 1.00 0.00 C ATOM 230 O LYS A 15 11.536 10.615 2.288 1.00 0.00 O ATOM 231 CB LYS A 15 9.091 9.851 4.425 1.00 0.00 C ATOM 232 CG LYS A 15 9.810 10.979 5.187 1.00 0.00 C ATOM 233 CD LYS A 15 9.406 12.388 4.719 1.00 0.00 C ATOM 234 CE LYS A 15 10.088 13.498 5.535 1.00 0.00 C ATOM 235 NZ LYS A 15 9.574 13.583 6.929 1.00 0.00 N ATOM 0 H LYS A 15 8.026 8.186 3.022 1.00 0.00 H new ATOM 0 HA LYS A 15 9.075 10.748 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.017 9.959 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.382 8.897 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.595 10.882 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.887 10.859 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.663 12.505 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.324 12.497 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.163 13.318 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.936 14.455 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.042 14.368 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.547 13.748 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.773 12.692 7.427 1.00 0.00 H new ATOM 249 N SER A 16 11.337 8.389 2.548 1.00 0.00 N ATOM 250 CA SER A 16 12.539 7.998 1.805 1.00 0.00 C ATOM 251 C SER A 16 12.409 6.584 1.226 1.00 0.00 C ATOM 252 O SER A 16 11.704 5.724 1.765 1.00 0.00 O ATOM 253 CB SER A 16 13.792 8.145 2.668 1.00 0.00 C ATOM 254 OG SER A 16 14.928 8.111 1.818 1.00 0.00 O ATOM 0 H SER A 16 10.895 7.611 3.038 1.00 0.00 H new ATOM 0 HA SER A 16 12.642 8.679 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.762 9.082 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.843 7.341 3.402 1.00 0.00 H new ATOM 0 HG SER A 16 15.742 8.206 2.356 1.00 0.00 H new ATOM 260 N GLY A 17 13.077 6.347 0.100 1.00 0.00 N ATOM 261 CA GLY A 17 12.998 5.126 -0.711 1.00 0.00 C ATOM 262 C GLY A 17 13.916 3.992 -0.244 1.00 0.00 C ATOM 263 O GLY A 17 14.717 3.485 -1.030 1.00 0.00 O ATOM 0 H GLY A 17 13.721 7.033 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.968 4.768 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.245 5.374 -1.743 1.00 0.00 H new ATOM 267 N ARG A 18 13.843 3.618 1.042 1.00 0.00 N ATOM 268 CA ARG A 18 14.608 2.493 1.631 1.00 0.00 C ATOM 269 C ARG A 18 13.886 1.138 1.523 1.00 0.00 C ATOM 270 O ARG A 18 14.521 0.097 1.691 1.00 0.00 O ATOM 271 CB ARG A 18 14.989 2.804 3.095 1.00 0.00 C ATOM 272 CG ARG A 18 16.231 3.700 3.260 1.00 0.00 C ATOM 273 CD ARG A 18 16.017 5.139 2.779 1.00 0.00 C ATOM 274 NE ARG A 18 17.175 6.004 3.078 1.00 0.00 N ATOM 275 CZ ARG A 18 18.197 6.263 2.280 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.409 5.626 1.166 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.057 7.191 2.576 1.00 0.00 N ATOM 0 H ARG A 18 13.244 4.092 1.718 1.00 0.00 H new ATOM 0 HA ARG A 18 15.518 2.395 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.142 3.287 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.164 1.864 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.520 3.716 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.062 3.261 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.834 5.138 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.126 5.550 3.253 1.00 0.00 H new ATOM 0 HE ARG A 18 17.188 6.448 3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.771 4.887 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.214 5.866 0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.949 7.732 3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.840 7.379 1.950 1.00 0.00 H new ATOM 291 N ALA A 19 12.581 1.142 1.241 1.00 0.00 N ATOM 292 CA ALA A 19 11.771 -0.064 1.065 1.00 0.00 C ATOM 293 C ALA A 19 12.005 -0.734 -0.305 1.00 0.00 C ATOM 294 O ALA A 19 12.274 -0.066 -1.307 1.00 0.00 O ATOM 295 CB ALA A 19 10.298 0.297 1.285 1.00 0.00 C ATOM 0 H ALA A 19 12.047 2.003 1.126 1.00 0.00 H new ATOM 0 HA ALA A 19 12.074 -0.805 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.682 -0.593 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.166 0.687 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.997 1.054 0.561 1.00 0.00 H new ATOM 301 N SER A 20 11.842 -2.057 -0.352 1.00 0.00 N ATOM 302 CA SER A 20 12.029 -2.887 -1.552 1.00 0.00 C ATOM 303 C SER A 20 10.713 -3.541 -1.967 1.00 0.00 C ATOM 304 O SER A 20 10.004 -4.087 -1.119 1.00 0.00 O ATOM 305 CB SER A 20 13.096 -3.963 -1.325 1.00 0.00 C ATOM 306 OG SER A 20 14.342 -3.375 -0.984 1.00 0.00 O ATOM 0 H SER A 20 11.568 -2.601 0.466 1.00 0.00 H new ATOM 0 HA SER A 20 12.368 -2.231 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.777 -4.636 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.208 -4.566 -2.226 1.00 0.00 H new ATOM 0 HG SER A 20 15.008 -4.080 -0.842 1.00 0.00 H new ATOM 312 N CYS A 21 10.395 -3.499 -3.262 1.00 0.00 N ATOM 313 CA CYS A 21 9.154 -4.047 -3.802 1.00 0.00 C ATOM 314 C CYS A 21 9.216 -5.580 -3.897 1.00 0.00 C ATOM 315 O CYS A 21 10.064 -6.149 -4.592 1.00 0.00 O ATOM 316 CB CYS A 21 8.892 -3.383 -5.152 1.00 0.00 C ATOM 317 SG CYS A 21 7.261 -3.863 -5.827 1.00 0.00 S ATOM 0 H CYS A 21 10.998 -3.080 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 21 8.320 -3.830 -3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.937 -2.300 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.676 -3.664 -5.856 1.00 0.00 H new ATOM 322 N LYS A 22 8.306 -6.262 -3.196 1.00 0.00 N ATOM 323 CA LYS A 22 8.276 -7.735 -3.084 1.00 0.00 C ATOM 324 C LYS A 22 7.689 -8.436 -4.318 1.00 0.00 C ATOM 325 O LYS A 22 7.755 -9.664 -4.406 1.00 0.00 O ATOM 326 CB LYS A 22 7.503 -8.131 -1.811 1.00 0.00 C ATOM 327 CG LYS A 22 8.029 -7.494 -0.518 1.00 0.00 C ATOM 328 CD LYS A 22 9.379 -8.042 -0.046 1.00 0.00 C ATOM 329 CE LYS A 22 9.288 -9.515 0.381 1.00 0.00 C ATOM 330 NZ LYS A 22 10.588 -10.018 0.896 1.00 0.00 N ATOM 0 H LYS A 22 7.554 -5.805 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 22 9.310 -8.074 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.456 -7.854 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.535 -9.215 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.120 -6.418 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.293 -7.644 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.111 -7.942 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.740 -7.444 0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.524 -9.624 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.973 -10.122 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.489 -11.015 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.311 -9.937 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.876 -9.455 1.722 1.00 0.00 H new ATOM 344 N LYS A 23 7.112 -7.673 -5.256 1.00 0.00 N ATOM 345 CA LYS A 23 6.415 -8.183 -6.456 1.00 0.00 C ATOM 346 C LYS A 23 7.228 -8.029 -7.746 1.00 0.00 C ATOM 347 O LYS A 23 7.383 -9.019 -8.463 1.00 0.00 O ATOM 348 CB LYS A 23 5.016 -7.545 -6.546 1.00 0.00 C ATOM 349 CG LYS A 23 4.167 -7.979 -7.753 1.00 0.00 C ATOM 350 CD LYS A 23 3.914 -9.496 -7.812 1.00 0.00 C ATOM 351 CE LYS A 23 2.988 -9.824 -8.988 1.00 0.00 C ATOM 352 NZ LYS A 23 2.766 -11.287 -9.132 1.00 0.00 N ATOM 0 H LYS A 23 7.114 -6.654 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 23 6.298 -9.261 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.468 -7.783 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.131 -6.461 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.209 -7.460 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.667 -7.666 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.859 -10.027 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.465 -9.835 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.030 -9.324 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.418 -9.430 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.134 -11.465 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.677 -11.762 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.331 -11.659 -8.264 1.00 0.00 H new ATOM 366 N CYS A 24 7.758 -6.833 -8.032 1.00 0.00 N ATOM 367 CA CYS A 24 8.580 -6.573 -9.228 1.00 0.00 C ATOM 368 C CYS A 24 10.109 -6.558 -8.966 1.00 0.00 C ATOM 369 O CYS A 24 10.903 -6.467 -9.908 1.00 0.00 O ATOM 370 CB CYS A 24 8.029 -5.364 -10.007 1.00 0.00 C ATOM 371 SG CYS A 24 8.491 -3.747 -9.282 1.00 0.00 S ATOM 0 H CYS A 24 7.630 -6.013 -7.440 1.00 0.00 H new ATOM 0 HA CYS A 24 8.482 -7.434 -9.889 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.392 -5.409 -11.034 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.942 -5.436 -10.050 1.00 0.00 H new ATOM 376 N SER A 25 10.523 -6.741 -7.705 1.00 0.00 N ATOM 377 CA SER A 25 11.921 -6.900 -7.254 1.00 0.00 C ATOM 378 C SER A 25 12.848 -5.698 -7.523 1.00 0.00 C ATOM 379 O SER A 25 14.073 -5.841 -7.548 1.00 0.00 O ATOM 380 CB SER A 25 12.521 -8.233 -7.735 1.00 0.00 C ATOM 381 OG SER A 25 11.704 -9.332 -7.350 1.00 0.00 O ATOM 0 H SER A 25 9.862 -6.785 -6.929 1.00 0.00 H new ATOM 0 HA SER A 25 11.859 -6.929 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.627 -8.217 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.521 -8.356 -7.319 1.00 0.00 H new ATOM 0 HG SER A 25 12.107 -10.167 -7.669 1.00 0.00 H new ATOM 387 N GLU A 26 12.280 -4.501 -7.683 1.00 0.00 N ATOM 388 CA GLU A 26 12.998 -3.215 -7.673 1.00 0.00 C ATOM 389 C GLU A 26 12.880 -2.540 -6.289 1.00 0.00 C ATOM 390 O GLU A 26 12.253 -3.086 -5.378 1.00 0.00 O ATOM 391 CB GLU A 26 12.473 -2.305 -8.801 1.00 0.00 C ATOM 392 CG GLU A 26 12.558 -2.912 -10.215 1.00 0.00 C ATOM 393 CD GLU A 26 13.977 -3.370 -10.621 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.974 -2.695 -10.267 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.107 -4.391 -11.340 1.00 0.00 O ATOM 0 H GLU A 26 11.276 -4.391 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 26 14.057 -3.396 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.433 -2.053 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.036 -1.372 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.882 -3.765 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.205 -2.175 -10.937 1.00 0.00 H new ATOM 402 N SER A 27 13.459 -1.349 -6.104 1.00 0.00 N ATOM 403 CA SER A 27 13.373 -0.603 -4.836 1.00 0.00 C ATOM 404 C SER A 27 12.497 0.638 -4.975 1.00 0.00 C ATOM 405 O SER A 27 12.562 1.361 -5.971 1.00 0.00 O ATOM 406 CB SER A 27 14.745 -0.253 -4.262 1.00 0.00 C ATOM 407 OG SER A 27 15.620 -1.372 -4.278 1.00 0.00 O ATOM 0 H SER A 27 14.000 -0.872 -6.825 1.00 0.00 H new ATOM 0 HA SER A 27 12.897 -1.271 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.184 0.561 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.631 0.106 -3.239 1.00 0.00 H new ATOM 0 HG SER A 27 16.489 -1.113 -3.906 1.00 0.00 H new ATOM 413 N ILE A 28 11.653 0.890 -3.980 1.00 0.00 N ATOM 414 CA ILE A 28 10.536 1.832 -4.097 1.00 0.00 C ATOM 415 C ILE A 28 11.067 3.278 -4.020 1.00 0.00 C ATOM 416 O ILE A 28 11.785 3.597 -3.069 1.00 0.00 O ATOM 417 CB ILE A 28 9.471 1.518 -3.022 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.956 0.064 -3.167 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.297 2.510 -3.109 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.041 -0.393 -2.027 1.00 0.00 C ATOM 0 H ILE A 28 11.721 0.447 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 28 10.047 1.724 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 28 9.940 1.623 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.416 -0.026 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.812 -0.609 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.560 2.269 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.665 3.524 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.834 2.440 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.724 -1.421 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.582 -0.338 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.165 0.254 -1.982 1.00 0.00 H new ATOM 432 N PRO A 29 10.755 4.160 -4.991 1.00 0.00 N ATOM 433 CA PRO A 29 11.329 5.502 -5.052 1.00 0.00 C ATOM 434 C PRO A 29 10.813 6.439 -3.952 1.00 0.00 C ATOM 435 O PRO A 29 9.639 6.396 -3.575 1.00 0.00 O ATOM 436 CB PRO A 29 11.009 6.034 -6.452 1.00 0.00 C ATOM 437 CG PRO A 29 9.736 5.280 -6.832 1.00 0.00 C ATOM 438 CD PRO A 29 9.933 3.921 -6.166 1.00 0.00 C ATOM 0 HA PRO A 29 12.403 5.457 -4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.851 7.112 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.819 5.834 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.843 5.784 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.628 5.188 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.975 3.481 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.420 3.221 -6.846 1.00 0.00 H new ATOM 446 N LYS A 30 11.688 7.340 -3.491 1.00 0.00 N ATOM 447 CA LYS A 30 11.345 8.500 -2.648 1.00 0.00 C ATOM 448 C LYS A 30 10.284 9.387 -3.325 1.00 0.00 C ATOM 449 O LYS A 30 10.279 9.537 -4.548 1.00 0.00 O ATOM 450 CB LYS A 30 12.646 9.274 -2.358 1.00 0.00 C ATOM 451 CG LYS A 30 12.479 10.504 -1.449 1.00 0.00 C ATOM 452 CD LYS A 30 13.847 11.151 -1.178 1.00 0.00 C ATOM 453 CE LYS A 30 13.745 12.428 -0.334 1.00 0.00 C ATOM 454 NZ LYS A 30 13.593 12.143 1.118 1.00 0.00 N ATOM 0 H LYS A 30 12.685 7.284 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 30 10.903 8.168 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.361 8.593 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.079 9.596 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.813 11.227 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.014 10.210 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.488 10.433 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.327 11.386 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.637 13.035 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.895 13.018 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.512 13.038 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.737 11.573 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.424 11.618 1.458 1.00 0.00 H new ATOM 468 N ASP A 31 9.412 9.999 -2.521 1.00 0.00 N ATOM 469 CA ASP A 31 8.325 10.896 -2.951 1.00 0.00 C ATOM 470 C ASP A 31 7.351 10.255 -3.969 1.00 0.00 C ATOM 471 O ASP A 31 6.995 10.840 -4.997 1.00 0.00 O ATOM 472 CB ASP A 31 8.899 12.266 -3.363 1.00 0.00 C ATOM 473 CG ASP A 31 7.816 13.348 -3.543 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.886 13.428 -2.705 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.924 14.163 -4.492 1.00 0.00 O ATOM 0 H ASP A 31 9.441 9.881 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 31 7.675 11.077 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.612 12.596 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.452 12.156 -4.296 1.00 0.00 H new ATOM 480 N SER A 32 6.923 9.023 -3.673 1.00 0.00 N ATOM 481 CA SER A 32 5.911 8.247 -4.409 1.00 0.00 C ATOM 482 C SER A 32 4.968 7.527 -3.430 1.00 0.00 C ATOM 483 O SER A 32 5.207 7.539 -2.222 1.00 0.00 O ATOM 484 CB SER A 32 6.608 7.259 -5.349 1.00 0.00 C ATOM 485 OG SER A 32 5.672 6.714 -6.266 1.00 0.00 O ATOM 0 H SER A 32 7.291 8.510 -2.872 1.00 0.00 H new ATOM 0 HA SER A 32 5.302 8.922 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.408 7.763 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.070 6.459 -4.770 1.00 0.00 H new ATOM 0 HG SER A 32 6.128 6.085 -6.864 1.00 0.00 H new ATOM 491 N LEU A 33 3.890 6.909 -3.915 1.00 0.00 N ATOM 492 CA LEU A 33 2.903 6.196 -3.098 1.00 0.00 C ATOM 493 C LEU A 33 3.248 4.698 -3.021 1.00 0.00 C ATOM 494 O LEU A 33 3.529 4.063 -4.044 1.00 0.00 O ATOM 495 CB LEU A 33 1.500 6.466 -3.676 1.00 0.00 C ATOM 496 CG LEU A 33 0.339 5.909 -2.831 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.156 6.658 -1.512 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.975 6.031 -3.601 1.00 0.00 C ATOM 0 H LEU A 33 3.672 6.889 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 33 2.918 6.559 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.368 7.542 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.444 6.034 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 33 0.591 4.870 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.676 6.222 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.067 6.579 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.054 7.708 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.790 5.635 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.168 7.080 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.906 5.466 -4.531 1.00 0.00 H new ATOM 510 N ARG A 34 3.204 4.120 -1.816 1.00 0.00 N ATOM 511 CA ARG A 34 3.537 2.714 -1.544 1.00 0.00 C ATOM 512 C ARG A 34 2.542 2.065 -0.591 1.00 0.00 C ATOM 513 O ARG A 34 1.871 2.744 0.184 1.00 0.00 O ATOM 514 CB ARG A 34 4.996 2.589 -1.067 1.00 0.00 C ATOM 515 CG ARG A 34 5.327 3.200 0.308 1.00 0.00 C ATOM 516 CD ARG A 34 6.805 2.944 0.644 1.00 0.00 C ATOM 517 NE ARG A 34 7.210 3.561 1.924 1.00 0.00 N ATOM 518 CZ ARG A 34 8.399 4.028 2.253 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.418 4.025 1.439 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.568 4.546 3.428 1.00 0.00 N ATOM 0 H ARG A 34 2.928 4.631 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 34 3.453 2.156 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.257 1.531 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.639 3.058 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.126 4.271 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.688 2.762 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.983 1.870 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.430 3.336 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 34 6.485 3.634 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.317 3.649 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.316 4.399 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.788 4.588 4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.481 4.911 3.698 1.00 0.00 H new ATOM 534 N MET A 35 2.464 0.742 -0.663 1.00 0.00 N ATOM 535 CA MET A 35 1.632 -0.118 0.174 1.00 0.00 C ATOM 536 C MET A 35 2.464 -1.231 0.809 1.00 0.00 C ATOM 537 O MET A 35 3.568 -1.523 0.358 1.00 0.00 O ATOM 538 CB MET A 35 0.443 -0.681 -0.627 1.00 0.00 C ATOM 539 CG MET A 35 -0.605 0.401 -0.909 1.00 0.00 C ATOM 540 SD MET A 35 -2.118 -0.130 -1.760 1.00 0.00 S ATOM 541 CE MET A 35 -2.989 -0.955 -0.397 1.00 0.00 C ATOM 0 H MET A 35 3.008 0.210 -1.343 1.00 0.00 H new ATOM 0 HA MET A 35 1.223 0.486 0.984 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.801 -1.097 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.017 -1.499 -0.072 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.890 0.854 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.135 1.182 -1.507 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.853 -1.491 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.316 -1.660 0.091 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.321 -0.210 0.326 1.00 0.00 H new ATOM 551 N ALA A 36 1.957 -1.833 1.881 1.00 0.00 N ATOM 552 CA ALA A 36 2.604 -2.951 2.565 1.00 0.00 C ATOM 553 C ALA A 36 1.586 -3.984 3.072 1.00 0.00 C ATOM 554 O ALA A 36 0.390 -3.691 3.146 1.00 0.00 O ATOM 555 CB ALA A 36 3.514 -2.418 3.682 1.00 0.00 C ATOM 0 H ALA A 36 1.072 -1.555 2.306 1.00 0.00 H new ATOM 0 HA ALA A 36 3.228 -3.485 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.995 -3.254 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.276 -1.768 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.918 -1.853 4.398 1.00 0.00 H new ATOM 561 N ILE A 37 2.060 -5.178 3.443 1.00 0.00 N ATOM 562 CA ILE A 37 1.240 -6.276 3.977 1.00 0.00 C ATOM 563 C ILE A 37 1.768 -6.774 5.317 1.00 0.00 C ATOM 564 O ILE A 37 2.974 -6.937 5.479 1.00 0.00 O ATOM 565 CB ILE A 37 1.117 -7.397 2.916 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.211 -7.179 2.174 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.196 -8.825 3.473 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.370 -7.973 0.878 1.00 0.00 C ATOM 0 H ILE A 37 3.050 -5.416 3.379 1.00 0.00 H new ATOM 0 HA ILE A 37 0.236 -5.905 4.183 1.00 0.00 H new ATOM 0 HB ILE A 37 1.978 -7.321 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.030 -7.440 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.311 -6.118 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.100 -9.540 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.155 -8.969 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.389 -8.982 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.339 -7.750 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.423 -7.697 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.307 -9.039 1.095 1.00 0.00 H new ATOM 580 N MET A 38 0.874 -7.058 6.265 1.00 0.00 N ATOM 581 CA MET A 38 1.235 -7.581 7.582 1.00 0.00 C ATOM 582 C MET A 38 1.388 -9.103 7.572 1.00 0.00 C ATOM 583 O MET A 38 0.432 -9.831 7.300 1.00 0.00 O ATOM 584 CB MET A 38 0.218 -7.124 8.646 1.00 0.00 C ATOM 585 CG MET A 38 0.051 -5.600 8.792 1.00 0.00 C ATOM 586 SD MET A 38 1.234 -4.728 9.863 1.00 0.00 S ATOM 587 CE MET A 38 2.786 -5.073 9.004 1.00 0.00 C ATOM 0 H MET A 38 -0.130 -6.930 6.138 1.00 0.00 H new ATOM 0 HA MET A 38 2.210 -7.169 7.844 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.753 -7.557 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.519 -7.533 9.610 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.108 -5.158 7.797 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.953 -5.406 9.170 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.523 -4.313 9.265 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.156 -6.054 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.617 -5.060 7.927 1.00 0.00 H new ATOM 597 N VAL A 39 2.585 -9.580 7.927 1.00 0.00 N ATOM 598 CA VAL A 39 2.868 -11.010 8.161 1.00 0.00 C ATOM 599 C VAL A 39 3.716 -11.224 9.417 1.00 0.00 C ATOM 600 O VAL A 39 4.594 -10.427 9.738 1.00 0.00 O ATOM 601 CB VAL A 39 3.491 -11.665 6.910 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.855 -11.081 6.538 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.618 -13.188 7.035 1.00 0.00 C ATOM 0 H VAL A 39 3.399 -8.981 8.063 1.00 0.00 H new ATOM 0 HA VAL A 39 1.918 -11.512 8.345 1.00 0.00 H new ATOM 0 HB VAL A 39 2.787 -11.434 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.237 -11.585 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.751 -10.015 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.550 -11.225 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.062 -13.592 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.252 -13.431 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.630 -13.625 7.181 1.00 0.00 H new ATOM 613 N GLN A 40 3.449 -12.310 10.140 1.00 0.00 N ATOM 614 CA GLN A 40 4.236 -12.766 11.292 1.00 0.00 C ATOM 615 C GLN A 40 5.583 -13.357 10.840 1.00 0.00 C ATOM 616 O GLN A 40 5.628 -14.240 9.980 1.00 0.00 O ATOM 617 CB GLN A 40 3.414 -13.751 12.148 1.00 0.00 C ATOM 618 CG GLN A 40 2.554 -14.742 11.337 1.00 0.00 C ATOM 619 CD GLN A 40 1.887 -15.825 12.192 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.968 -15.860 13.415 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.187 -16.758 11.580 1.00 0.00 N ATOM 0 H GLN A 40 2.655 -12.918 9.937 1.00 0.00 H new ATOM 0 HA GLN A 40 4.469 -11.908 11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.096 -14.317 12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.762 -13.181 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.782 -14.187 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.180 -15.221 10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.105 -16.750 10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.727 -17.489 12.123 1.00 0.00 H new ATOM 630 N SER A 41 6.689 -12.863 11.404 1.00 0.00 N ATOM 631 CA SER A 41 8.041 -13.201 10.955 1.00 0.00 C ATOM 632 C SER A 41 8.592 -14.485 11.577 1.00 0.00 C ATOM 633 O SER A 41 8.390 -14.729 12.772 1.00 0.00 O ATOM 634 CB SER A 41 9.011 -12.065 11.262 1.00 0.00 C ATOM 635 OG SER A 41 10.237 -12.292 10.599 1.00 0.00 O ATOM 0 H SER A 41 6.670 -12.213 12.190 1.00 0.00 H new ATOM 0 HA SER A 41 7.955 -13.361 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.585 -11.114 10.943 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.176 -11.995 12.337 1.00 0.00 H new ATOM 0 HG SER A 41 10.498 -11.485 10.108 1.00 0.00 H new ATOM 641 N PRO A 42 9.371 -15.265 10.807 1.00 0.00 N ATOM 642 CA PRO A 42 10.211 -16.320 11.344 1.00 0.00 C ATOM 643 C PRO A 42 11.546 -15.806 11.928 1.00 0.00 C ATOM 644 O PRO A 42 12.247 -16.585 12.579 1.00 0.00 O ATOM 645 CB PRO A 42 10.408 -17.290 10.176 1.00 0.00 C ATOM 646 CG PRO A 42 10.409 -16.366 8.958 1.00 0.00 C ATOM 647 CD PRO A 42 9.426 -15.262 9.352 1.00 0.00 C ATOM 0 HA PRO A 42 9.741 -16.803 12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.343 -17.843 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.606 -18.026 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.403 -15.966 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.087 -16.888 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.758 -14.294 8.977 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.440 -15.448 8.925 1.00 0.00 H new ATOM 655 N MET A 43 11.911 -14.527 11.720 1.00 0.00 N ATOM 656 CA MET A 43 13.182 -13.936 12.191 1.00 0.00 C ATOM 657 C MET A 43 13.041 -12.762 13.177 1.00 0.00 C ATOM 658 O MET A 43 13.957 -12.504 13.959 1.00 0.00 O ATOM 659 CB MET A 43 14.064 -13.559 10.998 1.00 0.00 C ATOM 660 CG MET A 43 13.671 -12.273 10.260 1.00 0.00 C ATOM 661 SD MET A 43 14.070 -12.269 8.491 1.00 0.00 S ATOM 662 CE MET A 43 12.902 -13.550 7.954 1.00 0.00 C ATOM 0 H MET A 43 11.324 -13.864 11.213 1.00 0.00 H new ATOM 0 HA MET A 43 13.663 -14.718 12.778 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.091 -13.456 11.347 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.051 -14.384 10.285 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.599 -12.115 10.378 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.172 -11.429 10.734 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.647 -13.393 6.906 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.359 -14.532 8.073 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.998 -13.495 8.560 1.00 0.00 H new ATOM 672 N PHE A 44 11.903 -12.063 13.154 1.00 0.00 N ATOM 673 CA PHE A 44 11.567 -10.947 14.045 1.00 0.00 C ATOM 674 C PHE A 44 10.532 -11.377 15.100 1.00 0.00 C ATOM 675 O PHE A 44 9.717 -12.271 14.870 1.00 0.00 O ATOM 676 CB PHE A 44 11.114 -9.750 13.192 1.00 0.00 C ATOM 677 CG PHE A 44 10.671 -8.526 13.971 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.627 -7.645 14.511 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.299 -8.264 14.149 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.209 -6.508 15.227 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.882 -7.127 14.863 1.00 0.00 C ATOM 682 CZ PHE A 44 9.839 -6.248 15.404 1.00 0.00 C ATOM 0 H PHE A 44 11.159 -12.267 12.487 1.00 0.00 H new ATOM 0 HA PHE A 44 12.445 -10.636 14.612 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.934 -9.464 12.534 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.291 -10.071 12.554 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.680 -7.842 14.376 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.564 -8.939 13.735 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.943 -5.833 15.642 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.829 -6.928 14.996 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.521 -5.375 15.954 1.00 0.00 H new ATOM 692 N ASP A 45 10.550 -10.736 16.267 1.00 0.00 N ATOM 693 CA ASP A 45 9.746 -11.079 17.453 1.00 0.00 C ATOM 694 C ASP A 45 8.310 -10.502 17.413 1.00 0.00 C ATOM 695 O ASP A 45 7.793 -9.971 18.401 1.00 0.00 O ATOM 696 CB ASP A 45 10.535 -10.764 18.738 1.00 0.00 C ATOM 697 CG ASP A 45 10.854 -9.269 18.937 1.00 0.00 C ATOM 698 OD1 ASP A 45 11.620 -8.702 18.120 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.398 -8.672 19.943 1.00 0.00 O ATOM 0 H ASP A 45 11.150 -9.926 16.425 1.00 0.00 H new ATOM 0 HA ASP A 45 9.573 -12.155 17.449 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.965 -11.119 19.596 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.470 -11.324 18.723 1.00 0.00 H new ATOM 704 N GLY A 46 7.665 -10.594 16.248 1.00 0.00 N ATOM 705 CA GLY A 46 6.331 -10.062 15.961 1.00 0.00 C ATOM 706 C GLY A 46 6.034 -10.039 14.463 1.00 0.00 C ATOM 707 O GLY A 46 6.490 -10.910 13.712 1.00 0.00 O ATOM 0 H GLY A 46 8.078 -11.063 15.442 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.582 -10.668 16.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.250 -9.052 16.362 1.00 0.00 H new ATOM 711 N LYS A 47 5.265 -9.038 14.020 1.00 0.00 N ATOM 712 CA LYS A 47 4.814 -8.902 12.627 1.00 0.00 C ATOM 713 C LYS A 47 5.525 -7.766 11.899 1.00 0.00 C ATOM 714 O LYS A 47 5.901 -6.760 12.503 1.00 0.00 O ATOM 715 CB LYS A 47 3.283 -8.798 12.540 1.00 0.00 C ATOM 716 CG LYS A 47 2.593 -9.901 13.370 1.00 0.00 C ATOM 717 CD LYS A 47 1.354 -10.505 12.704 1.00 0.00 C ATOM 718 CE LYS A 47 0.254 -9.505 12.330 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.323 -8.823 13.517 1.00 0.00 N ATOM 0 H LYS A 47 4.933 -8.288 14.626 1.00 0.00 H new ATOM 0 HA LYS A 47 5.097 -9.815 12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.963 -7.819 12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.971 -8.876 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.312 -10.697 13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.307 -9.487 14.337 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.667 -11.029 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.930 -11.252 13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.663 -8.758 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.539 -10.026 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.159 -8.275 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.600 -9.533 14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.386 -8.183 13.928 1.00 0.00 H new ATOM 733 N VAL A 48 5.713 -7.954 10.596 1.00 0.00 N ATOM 734 CA VAL A 48 6.547 -7.119 9.723 1.00 0.00 C ATOM 735 C VAL A 48 5.812 -6.738 8.429 1.00 0.00 C ATOM 736 O VAL A 48 4.997 -7.529 7.941 1.00 0.00 O ATOM 737 CB VAL A 48 7.880 -7.817 9.391 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.751 -7.979 10.645 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.713 -9.202 8.746 1.00 0.00 C ATOM 0 H VAL A 48 5.271 -8.724 10.094 1.00 0.00 H new ATOM 0 HA VAL A 48 6.762 -6.202 10.272 1.00 0.00 H new ATOM 0 HB VAL A 48 8.361 -7.161 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.684 -8.475 10.378 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.969 -6.997 11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.219 -8.580 11.382 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.695 -9.629 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.167 -9.856 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.159 -9.104 7.812 1.00 0.00 H new ATOM 749 N PRO A 49 6.078 -5.546 7.856 1.00 0.00 N ATOM 750 CA PRO A 49 5.465 -5.108 6.606 1.00 0.00 C ATOM 751 C PRO A 49 6.209 -5.631 5.364 1.00 0.00 C ATOM 752 O PRO A 49 7.427 -5.484 5.241 1.00 0.00 O ATOM 753 CB PRO A 49 5.476 -3.578 6.673 1.00 0.00 C ATOM 754 CG PRO A 49 6.730 -3.271 7.492 1.00 0.00 C ATOM 755 CD PRO A 49 6.822 -4.447 8.463 1.00 0.00 C ATOM 0 HA PRO A 49 4.456 -5.506 6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.525 -3.132 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.577 -3.190 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.615 -3.203 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.642 -2.321 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.861 -4.729 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.401 -4.183 9.433 1.00 0.00 H new ATOM 763 N HIS A 50 5.472 -6.200 4.406 1.00 0.00 N ATOM 764 CA HIS A 50 5.959 -6.556 3.064 1.00 0.00 C ATOM 765 C HIS A 50 5.588 -5.453 2.085 1.00 0.00 C ATOM 766 O HIS A 50 4.426 -5.355 1.713 1.00 0.00 O ATOM 767 CB HIS A 50 5.378 -7.916 2.638 1.00 0.00 C ATOM 768 CG HIS A 50 6.137 -9.093 3.193 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.310 -10.320 2.548 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.778 -9.132 4.396 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.043 -11.073 3.386 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.358 -10.378 4.493 1.00 0.00 N ATOM 0 H HIS A 50 4.489 -6.434 4.544 1.00 0.00 H new ATOM 0 HA HIS A 50 7.045 -6.651 3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.340 -7.977 2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.375 -7.976 1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.822 -8.341 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.338 -12.094 3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.927 -10.715 5.270 1.00 0.00 H new ATOM 780 N TRP A 51 6.548 -4.604 1.717 1.00 0.00 N ATOM 781 CA TRP A 51 6.325 -3.401 0.914 1.00 0.00 C ATOM 782 C TRP A 51 6.172 -3.697 -0.581 1.00 0.00 C ATOM 783 O TRP A 51 6.832 -4.570 -1.139 1.00 0.00 O ATOM 784 CB TRP A 51 7.490 -2.431 1.122 1.00 0.00 C ATOM 785 CG TRP A 51 7.652 -1.940 2.522 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.542 -2.401 3.430 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.883 -0.901 3.198 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.371 -1.728 4.623 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.337 -0.819 4.549 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.833 -0.041 2.810 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.751 0.046 5.483 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.239 0.832 3.742 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.689 0.867 5.074 1.00 0.00 C ATOM 0 H TRP A 51 7.526 -4.737 1.975 1.00 0.00 H new ATOM 0 HA TRP A 51 5.386 -2.961 1.250 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.413 -2.923 0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.352 -1.573 0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.273 -3.175 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.939 -1.884 5.456 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.482 -0.053 1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.111 0.080 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.432 1.479 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.215 1.528 5.785 1.00 0.00 H new ATOM 804 N TYR A 52 5.360 -2.907 -1.267 1.00 0.00 N ATOM 805 CA TYR A 52 5.288 -2.889 -2.721 1.00 0.00 C ATOM 806 C TYR A 52 4.928 -1.478 -3.217 1.00 0.00 C ATOM 807 O TYR A 52 4.381 -0.659 -2.469 1.00 0.00 O ATOM 808 CB TYR A 52 4.310 -3.953 -3.265 1.00 0.00 C ATOM 809 CG TYR A 52 3.976 -5.209 -2.465 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.200 -5.158 -1.287 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.358 -6.461 -2.982 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.837 -6.349 -0.622 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.983 -7.652 -2.334 1.00 0.00 C ATOM 814 CZ TYR A 52 3.237 -7.600 -1.141 1.00 0.00 C ATOM 815 OH TYR A 52 2.918 -8.760 -0.505 1.00 0.00 O ATOM 0 H TYR A 52 4.721 -2.249 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 52 6.272 -3.149 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.367 -3.444 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.704 -4.284 -4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.883 -4.204 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.946 -6.508 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.253 -6.303 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.267 -8.606 -2.752 1.00 0.00 H new ATOM 0 HH TYR A 52 3.277 -9.519 -1.010 1.00 0.00 H new ATOM 825 N HIS A 53 5.200 -1.183 -4.494 1.00 0.00 N ATOM 826 CA HIS A 53 4.624 0.000 -5.162 1.00 0.00 C ATOM 827 C HIS A 53 3.085 -0.019 -5.048 1.00 0.00 C ATOM 828 O HIS A 53 2.482 -1.093 -4.968 1.00 0.00 O ATOM 829 CB HIS A 53 5.017 0.051 -6.651 1.00 0.00 C ATOM 830 CG HIS A 53 6.494 0.163 -6.965 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.324 -0.827 -7.502 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.212 1.322 -6.883 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.513 -0.248 -7.725 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.474 1.044 -7.366 1.00 0.00 N ATOM 0 H HIS A 53 5.813 -1.742 -5.087 1.00 0.00 H new ATOM 0 HA HIS A 53 5.022 0.884 -4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.634 -0.848 -7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.508 0.900 -7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.860 2.273 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.377 -0.750 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.245 1.707 -7.438 1.00 0.00 H new ATOM 842 N PHE A 54 2.431 1.149 -5.087 1.00 0.00 N ATOM 843 CA PHE A 54 0.966 1.243 -4.974 1.00 0.00 C ATOM 844 C PHE A 54 0.219 0.334 -5.975 1.00 0.00 C ATOM 845 O PHE A 54 -0.734 -0.336 -5.590 1.00 0.00 O ATOM 846 CB PHE A 54 0.523 2.703 -5.143 1.00 0.00 C ATOM 847 CG PHE A 54 -0.967 2.867 -5.405 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.909 2.603 -4.390 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.416 3.210 -6.696 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.286 2.667 -4.670 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.791 3.284 -6.970 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.727 3.009 -5.958 1.00 0.00 C ATOM 0 H PHE A 54 2.896 2.050 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 54 0.700 0.887 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.788 3.259 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.079 3.148 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.573 2.351 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.700 3.417 -7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.005 2.453 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.130 3.553 -7.960 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.784 3.061 -6.171 1.00 0.00 H new ATOM 862 N SER A 55 0.663 0.266 -7.239 1.00 0.00 N ATOM 863 CA SER A 55 0.032 -0.576 -8.270 1.00 0.00 C ATOM 864 C SER A 55 0.412 -2.056 -8.106 1.00 0.00 C ATOM 865 O SER A 55 -0.435 -2.940 -8.271 1.00 0.00 O ATOM 866 CB SER A 55 0.409 -0.054 -9.663 1.00 0.00 C ATOM 867 OG SER A 55 -0.318 -0.718 -10.681 1.00 0.00 O ATOM 0 H SER A 55 1.469 0.792 -7.576 1.00 0.00 H new ATOM 0 HA SER A 55 -1.050 -0.516 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.215 1.017 -9.716 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.477 -0.193 -9.828 1.00 0.00 H new ATOM 0 HG SER A 55 -1.229 -0.359 -10.720 1.00 0.00 H new ATOM 873 N CYS A 56 1.659 -2.331 -7.697 1.00 0.00 N ATOM 874 CA CYS A 56 2.166 -3.680 -7.476 1.00 0.00 C ATOM 875 C CYS A 56 1.366 -4.463 -6.415 1.00 0.00 C ATOM 876 O CYS A 56 1.159 -5.660 -6.588 1.00 0.00 O ATOM 877 CB CYS A 56 3.650 -3.627 -7.102 1.00 0.00 C ATOM 878 SG CYS A 56 4.712 -3.175 -8.528 1.00 0.00 S ATOM 0 H CYS A 56 2.350 -1.605 -7.509 1.00 0.00 H new ATOM 0 HA CYS A 56 2.043 -4.223 -8.413 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.795 -2.903 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.960 -4.598 -6.715 1.00 0.00 H new ATOM 883 N PHE A 57 0.873 -3.804 -5.360 1.00 0.00 N ATOM 884 CA PHE A 57 -0.012 -4.393 -4.341 1.00 0.00 C ATOM 885 C PHE A 57 -1.209 -5.131 -4.969 1.00 0.00 C ATOM 886 O PHE A 57 -1.468 -6.298 -4.666 1.00 0.00 O ATOM 887 CB PHE A 57 -0.497 -3.283 -3.401 1.00 0.00 C ATOM 888 CG PHE A 57 -1.476 -3.766 -2.347 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.837 -3.923 -2.674 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.032 -4.088 -1.052 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.744 -4.425 -1.729 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.952 -4.544 -0.090 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.303 -4.728 -0.433 1.00 0.00 C ATOM 0 H PHE A 57 1.082 -2.821 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 57 0.555 -5.136 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.365 -2.835 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.970 -2.498 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.185 -3.655 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.012 -3.986 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.779 -4.578 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.619 -4.753 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.001 -5.103 0.301 1.00 0.00 H new ATOM 903 N TRP A 58 -1.919 -4.469 -5.886 1.00 0.00 N ATOM 904 CA TRP A 58 -3.100 -5.025 -6.556 1.00 0.00 C ATOM 905 C TRP A 58 -2.710 -6.096 -7.586 1.00 0.00 C ATOM 906 O TRP A 58 -3.437 -7.068 -7.786 1.00 0.00 O ATOM 907 CB TRP A 58 -3.903 -3.886 -7.188 1.00 0.00 C ATOM 908 CG TRP A 58 -4.162 -2.736 -6.260 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.437 -1.597 -6.221 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.148 -2.610 -5.189 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.858 -0.805 -5.173 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.916 -1.376 -4.501 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.203 -3.421 -4.715 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.695 -0.967 -3.409 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.986 -3.020 -3.619 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.734 -1.798 -2.969 1.00 0.00 C ATOM 0 H TRP A 58 -1.689 -3.522 -6.188 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.728 -5.526 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.367 -3.520 -8.064 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.857 -4.279 -7.539 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.644 -1.344 -6.909 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.438 0.091 -4.927 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.411 -4.362 -5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.497 -0.027 -2.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.788 -3.655 -3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.343 -1.500 -2.129 1.00 0.00 H new ATOM 927 N LYS A 59 -1.511 -5.968 -8.171 1.00 0.00 N ATOM 928 CA LYS A 59 -0.873 -6.938 -9.071 1.00 0.00 C ATOM 929 C LYS A 59 -0.439 -8.231 -8.355 1.00 0.00 C ATOM 930 O LYS A 59 -0.293 -9.257 -9.020 1.00 0.00 O ATOM 931 CB LYS A 59 0.294 -6.204 -9.750 1.00 0.00 C ATOM 932 CG LYS A 59 0.944 -6.929 -10.934 1.00 0.00 C ATOM 933 CD LYS A 59 1.949 -6.014 -11.660 1.00 0.00 C ATOM 934 CE LYS A 59 3.129 -5.607 -10.760 1.00 0.00 C ATOM 935 NZ LYS A 59 3.766 -4.342 -11.204 1.00 0.00 N ATOM 0 H LYS A 59 -0.930 -5.143 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.586 -7.289 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.064 -5.234 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.062 -6.012 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.453 -7.826 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.173 -7.255 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.330 -6.526 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.435 -5.118 -12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.778 -5.494 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.873 -6.404 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.388 -3.984 -10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.327 -4.518 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.030 -3.637 -11.410 1.00 0.00 H new ATOM 949 N VAL A 60 -0.305 -8.239 -7.018 1.00 0.00 N ATOM 950 CA VAL A 60 -0.201 -9.497 -6.232 1.00 0.00 C ATOM 951 C VAL A 60 -1.511 -10.312 -6.289 1.00 0.00 C ATOM 952 O VAL A 60 -1.491 -11.534 -6.138 1.00 0.00 O ATOM 953 CB VAL A 60 0.174 -9.249 -4.749 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.581 -10.544 -4.026 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.352 -8.291 -4.570 1.00 0.00 C ATOM 0 H VAL A 60 -0.265 -7.392 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 60 0.604 -10.066 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.734 -8.819 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.835 -10.318 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.249 -11.251 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.446 -10.982 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.559 -8.164 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.233 -8.701 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.105 -7.325 -5.010 1.00 0.00 H new ATOM 965 N GLY A 61 -2.650 -9.653 -6.531 1.00 0.00 N ATOM 966 CA GLY A 61 -3.995 -10.244 -6.498 1.00 0.00 C ATOM 967 C GLY A 61 -4.751 -10.028 -5.178 1.00 0.00 C ATOM 968 O GLY A 61 -5.829 -10.599 -4.996 1.00 0.00 O ATOM 0 H GLY A 61 -2.662 -8.660 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.584 -9.823 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.913 -11.315 -6.684 1.00 0.00 H new ATOM 972 N HIS A 62 -4.219 -9.211 -4.258 1.00 0.00 N ATOM 973 CA HIS A 62 -4.924 -8.800 -3.034 1.00 0.00 C ATOM 974 C HIS A 62 -6.071 -7.821 -3.325 1.00 0.00 C ATOM 975 O HIS A 62 -6.040 -7.056 -4.292 1.00 0.00 O ATOM 976 CB HIS A 62 -3.944 -8.233 -1.994 1.00 0.00 C ATOM 977 CG HIS A 62 -3.312 -9.318 -1.157 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.876 -9.877 -0.006 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.132 -9.949 -1.421 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.014 -10.826 0.401 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.962 -10.893 -0.434 1.00 0.00 N ATOM 0 H HIS A 62 -3.283 -8.814 -4.342 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.379 -9.695 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.163 -7.668 -2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.471 -7.535 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.462 -9.747 -2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.148 -11.446 1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.173 -11.534 -0.350 1.00 0.00 H new ATOM 989 N SER A 63 -7.087 -7.855 -2.462 1.00 0.00 N ATOM 990 CA SER A 63 -8.299 -7.030 -2.520 1.00 0.00 C ATOM 991 C SER A 63 -8.745 -6.641 -1.105 1.00 0.00 C ATOM 992 O SER A 63 -8.406 -7.319 -0.133 1.00 0.00 O ATOM 993 CB SER A 63 -9.409 -7.779 -3.263 1.00 0.00 C ATOM 994 OG SER A 63 -10.504 -6.912 -3.503 1.00 0.00 O ATOM 0 H SER A 63 -7.089 -8.489 -1.663 1.00 0.00 H new ATOM 0 HA SER A 63 -8.081 -6.113 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.028 -8.166 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.736 -8.637 -2.675 1.00 0.00 H new ATOM 0 HG SER A 63 -11.208 -7.399 -3.980 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.460 -5.523 -0.978 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.737 -4.834 0.292 1.00 0.00 C ATOM 1002 C ILE A 64 -11.225 -4.445 0.323 1.00 0.00 C ATOM 1003 O ILE A 64 -11.746 -3.909 -0.659 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.786 -3.619 0.455 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.322 -3.922 0.040 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.815 -3.119 1.903 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.334 -2.780 0.299 1.00 0.00 C ATOM 0 H ILE A 64 -9.878 -5.053 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.546 -5.488 1.143 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.154 -2.848 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.982 -4.807 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.303 -4.167 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.144 -2.266 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.829 -2.817 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.492 -3.918 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.337 -3.082 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.644 -1.897 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.318 -2.547 1.364 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.923 -4.749 1.425 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.401 -4.678 1.546 1.00 0.00 C ATOM 1021 C ARG A 65 -13.894 -3.638 2.558 1.00 0.00 C ATOM 1022 O ARG A 65 -15.016 -3.149 2.432 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.018 -6.075 1.797 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.262 -6.985 2.785 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.190 -7.838 2.084 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.927 -7.875 2.839 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.854 -8.580 2.543 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.811 -9.445 1.569 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.786 -8.398 3.248 1.00 0.00 N ATOM 0 H ARG A 65 -11.471 -5.060 2.285 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.760 -4.323 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.035 -5.939 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.092 -6.594 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.791 -6.372 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.972 -7.640 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.564 -8.854 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.004 -7.437 1.087 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.877 -7.296 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.636 -9.604 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.952 -9.963 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.788 -7.722 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.941 -8.930 3.041 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.047 -3.249 3.510 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.234 -2.089 4.391 1.00 0.00 C ATOM 1045 C HIS A 66 -11.907 -1.329 4.540 1.00 0.00 C ATOM 1046 O HIS A 66 -11.311 -1.317 5.615 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.958 -2.455 5.710 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.433 -3.577 6.589 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.928 -4.778 6.182 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.560 -3.617 7.983 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.699 -5.531 7.308 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.091 -4.815 8.371 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.178 -3.749 3.699 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.927 -1.385 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.988 -1.553 6.322 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.989 -2.701 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.956 -2.840 8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.277 -6.525 7.332 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.040 -5.134 9.338 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.404 -0.698 3.456 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.049 -0.144 3.407 1.00 0.00 C ATOM 1062 C PRO A 67 -9.766 0.958 4.433 1.00 0.00 C ATOM 1063 O PRO A 67 -8.627 1.097 4.869 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.858 0.374 1.972 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.286 0.601 1.483 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.049 -0.530 2.160 1.00 0.00 C ATOM 0 HA PRO A 67 -9.338 -0.926 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.276 1.295 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.331 -0.350 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.665 1.580 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.357 0.545 0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.104 -0.281 2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.999 -1.447 1.573 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.788 1.686 4.886 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.663 2.686 5.953 1.00 0.00 C ATOM 1076 C ASP A 68 -10.264 2.055 7.305 1.00 0.00 C ATOM 1077 O ASP A 68 -9.679 2.714 8.166 1.00 0.00 O ATOM 1078 CB ASP A 68 -12.013 3.414 6.037 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.976 4.739 6.812 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.105 4.734 8.057 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.907 5.798 6.142 1.00 0.00 O ATOM 0 H ASP A 68 -11.736 1.599 4.520 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.860 3.387 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.369 3.609 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.739 2.752 6.509 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.539 0.755 7.457 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.218 -0.078 8.620 1.00 0.00 C ATOM 1088 C VAL A 69 -8.974 -0.942 8.369 1.00 0.00 C ATOM 1089 O VAL A 69 -8.141 -1.111 9.260 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.420 -0.982 8.974 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.214 -1.701 10.312 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.739 -0.197 9.053 1.00 0.00 C ATOM 0 H VAL A 69 -11.019 0.226 6.729 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.004 0.588 9.456 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.483 -1.711 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.080 -2.327 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.321 -2.324 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.094 -0.964 11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.553 -0.877 9.305 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.659 0.573 9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.942 0.271 8.090 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.838 -1.493 7.158 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.817 -2.507 6.831 1.00 0.00 C ATOM 1104 C GLU A 70 -6.477 -1.921 6.378 1.00 0.00 C ATOM 1105 O GLU A 70 -5.442 -2.553 6.590 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.325 -3.460 5.730 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.563 -4.285 6.087 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.952 -5.218 4.924 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.634 -4.782 3.966 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.592 -6.417 4.961 1.00 0.00 O ATOM 0 H GLU A 70 -9.435 -1.249 6.368 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.644 -3.042 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.547 -2.872 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.518 -4.144 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.367 -4.875 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.395 -3.620 6.319 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.488 -0.736 5.768 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.295 -0.013 5.316 1.00 0.00 C ATOM 1119 C VAL A 71 -4.856 0.961 6.400 1.00 0.00 C ATOM 1120 O VAL A 71 -5.376 2.064 6.566 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.512 0.655 3.958 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.156 1.141 3.471 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.021 -0.357 2.928 1.00 0.00 C ATOM 0 H VAL A 71 -7.354 -0.235 5.568 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.484 -0.723 5.155 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.238 1.461 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.270 1.625 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.747 1.854 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.478 0.293 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.168 0.142 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.290 -1.157 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.968 -0.777 3.268 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.850 0.526 7.139 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.087 1.320 8.086 1.00 0.00 C ATOM 1135 C ASP A 72 -2.280 2.421 7.367 1.00 0.00 C ATOM 1136 O ASP A 72 -1.836 2.235 6.237 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.215 0.323 8.842 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.435 0.969 9.982 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.060 1.405 10.975 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.191 1.021 9.881 1.00 0.00 O ATOM 0 H ASP A 72 -3.527 -0.440 7.092 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.724 1.865 8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.843 -0.473 9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.516 -0.142 8.147 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.128 3.599 7.971 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.405 4.742 7.388 1.00 0.00 C ATOM 1147 C GLY A 73 -2.205 5.556 6.360 1.00 0.00 C ATOM 1148 O GLY A 73 -1.812 6.669 6.017 1.00 0.00 O ATOM 0 H GLY A 73 -2.509 3.795 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.095 5.407 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.497 4.374 6.911 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.381 5.073 5.944 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.364 5.782 5.107 1.00 0.00 C ATOM 1154 C PHE A 74 -4.792 7.141 5.698 1.00 0.00 C ATOM 1155 O PHE A 74 -5.127 8.067 4.959 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.565 4.832 4.980 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.769 5.350 4.221 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.795 6.023 4.912 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -6.894 5.103 2.842 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.938 6.461 4.223 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.045 5.529 2.158 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.060 6.214 2.847 1.00 0.00 C ATOM 0 H PHE A 74 -3.691 4.133 6.192 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.927 6.026 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.225 3.918 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.889 4.558 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.703 6.203 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.108 4.588 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.720 6.986 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.150 5.330 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.937 6.552 2.316 1.00 0.00 H new ATOM 1172 N SER A 75 -4.719 7.297 7.021 1.00 0.00 N ATOM 1173 CA SER A 75 -4.914 8.563 7.744 1.00 0.00 C ATOM 1174 C SER A 75 -3.901 9.663 7.377 1.00 0.00 C ATOM 1175 O SER A 75 -4.197 10.847 7.551 1.00 0.00 O ATOM 1176 CB SER A 75 -4.834 8.293 9.251 1.00 0.00 C ATOM 1177 OG SER A 75 -3.717 7.467 9.564 1.00 0.00 O ATOM 0 H SER A 75 -4.515 6.517 7.646 1.00 0.00 H new ATOM 0 HA SER A 75 -5.894 8.938 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.754 9.237 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.752 7.811 9.587 1.00 0.00 H new ATOM 0 HG SER A 75 -3.687 7.311 10.531 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.730 9.303 6.844 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.667 10.239 6.449 1.00 0.00 C ATOM 1185 C GLU A 76 -1.828 10.767 5.008 1.00 0.00 C ATOM 1186 O GLU A 76 -1.171 11.740 4.625 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.291 9.563 6.611 1.00 0.00 C ATOM 1188 CG GLU A 76 0.001 9.034 8.024 1.00 0.00 C ATOM 1189 CD GLU A 76 0.143 10.180 9.047 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.231 10.802 9.116 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -0.823 10.467 9.795 1.00 0.00 O ATOM 0 H GLU A 76 -2.486 8.328 6.670 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.744 11.103 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.223 8.734 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.485 10.278 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.802 8.366 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.918 8.444 8.009 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.691 10.139 4.200 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.930 10.482 2.793 1.00 0.00 C ATOM 1200 C LEU A 77 -3.817 11.731 2.646 1.00 0.00 C ATOM 1201 O LEU A 77 -4.698 11.992 3.471 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.557 9.280 2.059 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.581 8.205 1.549 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.601 7.668 2.592 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.400 7.038 0.994 1.00 0.00 C ATOM 0 H LEU A 77 -3.260 9.354 4.517 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.968 10.719 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.270 8.803 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.125 9.657 1.208 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.965 8.689 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.958 6.917 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.990 8.486 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.156 7.217 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.727 6.263 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.029 6.627 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.028 7.391 0.176 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.631 12.473 1.546 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.562 13.524 1.098 1.00 0.00 C ATOM 1219 C ARG A 78 -5.885 12.939 0.613 1.00 0.00 C ATOM 1220 O ARG A 78 -5.966 11.768 0.241 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.914 14.392 -0.003 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.951 15.449 0.555 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.706 16.530 1.347 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.819 17.644 1.738 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.018 17.706 2.788 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.907 16.729 3.644 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.300 18.771 3.003 1.00 0.00 N ATOM 0 H ARG A 78 -2.823 12.361 0.934 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.780 14.157 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.374 13.747 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.698 14.889 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.215 14.969 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.402 15.912 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.528 16.915 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.146 16.086 2.240 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.825 18.461 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.450 15.875 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.277 16.818 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.354 19.561 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.683 18.815 3.814 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.912 13.787 0.572 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.271 13.410 0.172 1.00 0.00 C ATOM 1243 C TRP A 79 -8.313 12.707 -1.200 1.00 0.00 C ATOM 1244 O TRP A 79 -8.965 11.677 -1.337 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.188 14.646 0.257 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.222 14.792 -0.817 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.493 14.332 -0.787 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.064 15.445 -2.111 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.128 14.652 -1.976 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.286 15.328 -2.836 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.996 16.115 -2.743 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.438 15.846 -4.131 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.133 16.634 -4.044 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.350 16.500 -4.739 1.00 0.00 C ATOM 0 H TRP A 79 -6.823 14.773 0.820 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.649 12.662 0.869 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.698 14.625 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.560 15.537 0.248 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.944 13.798 0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.097 14.417 -2.189 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.058 16.232 -2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.377 15.744 -4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.300 17.138 -4.512 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.449 16.899 -5.738 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.550 13.182 -2.189 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.501 12.597 -3.539 1.00 0.00 C ATOM 1267 C ASP A 80 -6.898 11.176 -3.570 1.00 0.00 C ATOM 1268 O ASP A 80 -7.282 10.347 -4.393 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.704 13.540 -4.452 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.721 13.081 -5.921 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.798 13.133 -6.562 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.647 12.706 -6.452 1.00 0.00 O ATOM 0 H ASP A 80 -6.941 13.992 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.526 12.490 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.118 14.546 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.673 13.595 -4.103 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.977 10.874 -2.651 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.336 9.564 -2.518 1.00 0.00 C ATOM 1279 C ASP A 81 -6.177 8.627 -1.653 1.00 0.00 C ATOM 1280 O ASP A 81 -6.305 7.456 -1.988 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.913 9.698 -1.961 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.916 10.129 -3.039 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.741 9.373 -4.025 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.281 11.198 -2.875 1.00 0.00 O ATOM 0 H ASP A 81 -5.649 11.551 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.264 9.126 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.908 10.426 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.598 8.745 -1.536 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.833 9.134 -0.606 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.856 8.387 0.128 1.00 0.00 C ATOM 1291 C GLN A 82 -8.991 7.946 -0.804 1.00 0.00 C ATOM 1292 O GLN A 82 -9.358 6.770 -0.818 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.396 9.241 1.284 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.399 9.278 2.448 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.882 10.105 3.640 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.822 10.889 3.575 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.250 9.967 4.784 1.00 0.00 N ATOM 0 H GLN A 82 -6.670 10.073 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.401 7.486 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.590 10.255 0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.348 8.835 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.202 8.258 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.453 9.686 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.465 9.320 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.544 10.507 5.598 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.486 8.851 -1.653 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.490 8.543 -2.673 1.00 0.00 C ATOM 1308 C GLN A 83 -9.989 7.501 -3.678 1.00 0.00 C ATOM 1309 O GLN A 83 -10.717 6.561 -3.978 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.904 9.832 -3.404 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.773 10.759 -2.538 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.204 10.258 -2.319 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.679 9.295 -2.910 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -13.961 10.898 -1.453 1.00 0.00 N ATOM 0 H GLN A 83 -9.197 9.829 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.356 8.115 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.009 10.369 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.452 9.570 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.293 10.887 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.812 11.743 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.590 11.703 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.919 10.589 -1.287 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.746 7.595 -4.165 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.194 6.697 -5.177 1.00 0.00 C ATOM 1325 C LYS A 84 -7.848 5.342 -4.572 1.00 0.00 C ATOM 1326 O LYS A 84 -8.092 4.338 -5.226 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.007 7.407 -5.843 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.256 6.548 -6.879 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.781 6.417 -6.489 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.036 7.705 -6.873 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.680 7.782 -6.277 1.00 0.00 N ATOM 0 H LYS A 84 -8.087 8.311 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.929 6.475 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.367 8.312 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.305 7.720 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.712 5.560 -6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.340 7.001 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.691 6.237 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.334 5.561 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.955 7.763 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.620 8.567 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.990 8.031 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.669 8.508 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.429 6.861 -5.865 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.389 5.267 -3.323 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.172 3.982 -2.630 1.00 0.00 C ATOM 1347 C VAL A 85 -8.513 3.285 -2.377 1.00 0.00 C ATOM 1348 O VAL A 85 -8.638 2.097 -2.667 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.357 4.159 -1.328 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.304 2.890 -0.459 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.903 4.539 -1.632 1.00 0.00 C ATOM 0 H VAL A 85 -7.156 6.085 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.574 3.342 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.877 4.948 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.716 3.087 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.316 2.602 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.842 2.081 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.355 4.657 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.439 3.754 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.880 5.477 -2.186 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.550 4.018 -1.939 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.913 3.474 -1.789 1.00 0.00 C ATOM 1363 C LYS A 86 -11.516 3.036 -3.130 1.00 0.00 C ATOM 1364 O LYS A 86 -12.020 1.917 -3.228 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.819 4.478 -1.054 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.482 4.540 0.445 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.493 5.386 1.231 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.298 5.148 2.733 1.00 0.00 C ATOM 1369 NZ LYS A 86 -12.948 6.195 3.566 1.00 0.00 N ATOM 0 H LYS A 86 -9.469 5.001 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.842 2.573 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.703 5.467 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.863 4.192 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.461 3.530 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.483 4.957 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.358 6.442 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.509 5.122 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.705 4.173 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.232 5.120 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.702 6.046 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.617 7.134 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.980 6.139 3.451 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.396 3.842 -4.192 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.886 3.480 -5.540 1.00 0.00 C ATOM 1385 C LYS A 87 -11.088 2.327 -6.148 1.00 0.00 C ATOM 1386 O LYS A 87 -11.683 1.449 -6.761 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.930 4.701 -6.482 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.291 5.422 -6.491 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.681 6.093 -5.165 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.075 6.718 -5.267 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.473 7.358 -3.988 1.00 0.00 N ATOM 0 H LYS A 87 -10.959 4.762 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.911 3.130 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.155 5.408 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.693 4.377 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.278 6.180 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.065 4.702 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.664 5.358 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.950 6.861 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.086 7.459 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.802 5.951 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.383 7.845 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.567 6.631 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.748 8.047 -3.704 1.00 0.00 H new ATOM 1405 N THR A 88 -9.778 2.253 -5.917 1.00 0.00 N ATOM 1406 CA THR A 88 -8.921 1.141 -6.350 1.00 0.00 C ATOM 1407 C THR A 88 -9.235 -0.158 -5.597 1.00 0.00 C ATOM 1408 O THR A 88 -9.180 -1.231 -6.198 1.00 0.00 O ATOM 1409 CB THR A 88 -7.431 1.518 -6.292 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.219 2.645 -7.111 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.549 0.429 -6.884 1.00 0.00 C ATOM 0 H THR A 88 -9.268 2.978 -5.413 1.00 0.00 H new ATOM 0 HA THR A 88 -9.151 0.944 -7.397 1.00 0.00 H new ATOM 0 HB THR A 88 -7.183 1.686 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.610 3.437 -6.686 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.504 0.734 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.689 -0.497 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.820 0.268 -7.927 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.669 -0.083 -4.334 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.159 -1.226 -3.569 1.00 0.00 C ATOM 1421 C ALA A 89 -11.513 -1.722 -4.103 1.00 0.00 C ATOM 1422 O ALA A 89 -11.719 -2.928 -4.240 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.247 -0.826 -2.093 1.00 0.00 C ATOM 0 H ALA A 89 -9.688 0.791 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.464 -2.059 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.612 -1.670 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.259 -0.537 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.933 0.014 -1.984 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.406 -0.804 -4.490 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.673 -1.153 -5.147 1.00 0.00 C ATOM 1431 C GLU A 90 -13.467 -1.724 -6.564 1.00 0.00 C ATOM 1432 O GLU A 90 -14.192 -2.624 -6.994 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.613 0.064 -5.201 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.152 0.460 -3.821 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.130 1.646 -3.933 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.681 2.818 -3.933 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.362 1.413 -4.017 1.00 0.00 O ATOM 0 H GLU A 90 -12.273 0.199 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.131 -1.936 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.080 0.910 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.450 -0.158 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.657 -0.392 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.323 0.727 -3.165 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.454 -1.224 -7.277 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.072 -1.626 -8.629 1.00 0.00 C ATOM 1446 C ALA A 91 -11.235 -2.926 -8.685 1.00 0.00 C ATOM 1447 O ALA A 91 -11.143 -3.556 -9.741 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.314 -0.439 -9.239 1.00 0.00 C ATOM 0 H ALA A 91 -11.849 -0.491 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.969 -1.868 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.004 -0.688 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.965 0.435 -9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.434 -0.220 -8.635 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.624 -3.332 -7.565 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.717 -4.484 -7.479 1.00 0.00 C ATOM 1456 C GLY A 92 -8.345 -4.259 -8.137 1.00 0.00 C ATOM 1457 O GLY A 92 -7.721 -5.224 -8.586 1.00 0.00 O ATOM 0 H GLY A 92 -10.750 -2.857 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.567 -4.736 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.195 -5.344 -7.948 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.887 -3.005 -8.234 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.643 -2.601 -8.892 1.00 0.00 C ATOM 1463 C GLY A 93 -6.828 -1.541 -9.981 1.00 0.00 C ATOM 1464 O GLY A 93 -7.877 -1.445 -10.623 1.00 0.00 O ATOM 0 H GLY A 93 -8.395 -2.213 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.954 -2.217 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.175 -3.481 -9.333 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.779 -0.740 -10.176 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.675 0.310 -11.207 1.00 0.00 C ATOM 1470 C VAL A 94 -4.258 0.377 -11.793 1.00 0.00 C ATOM 1471 O VAL A 94 -3.270 0.094 -11.107 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.144 1.677 -10.651 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.118 2.352 -9.732 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -6.511 2.657 -11.771 1.00 0.00 C ATOM 0 H VAL A 94 -4.940 -0.803 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.343 0.049 -12.028 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.028 1.440 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.515 3.304 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.915 1.706 -8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.194 2.526 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.834 3.603 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.641 2.828 -12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.319 2.238 -12.370 1.00 0.00 H new ATOM 1484 N THR A 95 -4.159 0.757 -13.069 1.00 0.00 N ATOM 1485 CA THR A 95 -2.907 0.901 -13.836 1.00 0.00 C ATOM 1486 C THR A 95 -2.942 2.160 -14.719 1.00 0.00 C ATOM 1487 O THR A 95 -4.012 2.716 -14.991 1.00 0.00 O ATOM 1488 CB THR A 95 -2.631 -0.344 -14.703 1.00 0.00 C ATOM 1489 OG1 THR A 95 -3.703 -0.587 -15.593 1.00 0.00 O ATOM 1490 CG2 THR A 95 -2.432 -1.610 -13.864 1.00 0.00 C ATOM 0 H THR A 95 -4.983 0.984 -13.626 1.00 0.00 H new ATOM 0 HA THR A 95 -2.096 1.002 -13.114 1.00 0.00 H new ATOM 0 HB THR A 95 -1.713 -0.127 -15.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.506 -1.380 -16.134 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.241 -2.457 -14.523 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.583 -1.473 -13.194 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.330 -1.802 -13.277 1.00 0.00 H new ATOM 1498 N GLY A 96 -1.774 2.639 -15.160 1.00 0.00 N ATOM 1499 CA GLY A 96 -1.644 3.855 -15.975 1.00 0.00 C ATOM 1500 C GLY A 96 -0.199 4.196 -16.360 1.00 0.00 C ATOM 1501 O GLY A 96 0.702 3.360 -16.236 1.00 0.00 O ATOM 0 H GLY A 96 -0.881 2.189 -14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.233 3.735 -16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.071 4.695 -15.427 1.00 0.00 H new ATOM 1505 N LYS A 97 0.013 5.428 -16.841 1.00 0.00 N ATOM 1506 CA LYS A 97 1.298 5.946 -17.355 1.00 0.00 C ATOM 1507 C LYS A 97 1.766 7.192 -16.588 1.00 0.00 C ATOM 1508 O LYS A 97 0.948 7.944 -16.053 1.00 0.00 O ATOM 1509 CB LYS A 97 1.184 6.239 -18.866 1.00 0.00 C ATOM 1510 CG LYS A 97 0.769 5.004 -19.686 1.00 0.00 C ATOM 1511 CD LYS A 97 0.784 5.307 -21.191 1.00 0.00 C ATOM 1512 CE LYS A 97 0.334 4.096 -22.022 1.00 0.00 C ATOM 1513 NZ LYS A 97 -1.136 3.872 -21.953 1.00 0.00 N ATOM 0 H LYS A 97 -0.733 6.123 -16.887 1.00 0.00 H new ATOM 0 HA LYS A 97 2.054 5.176 -17.199 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.456 7.034 -19.023 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.142 6.607 -19.233 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.447 4.177 -19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.229 4.684 -19.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.129 6.153 -21.398 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.789 5.601 -21.492 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.627 4.243 -23.061 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.851 3.204 -21.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.388 3.044 -22.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.416 3.704 -20.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.632 4.711 -22.315 1.00 0.00 H new ATOM 1527 N GLY A 98 3.081 7.415 -16.551 1.00 0.00 N ATOM 1528 CA GLY A 98 3.717 8.542 -15.857 1.00 0.00 C ATOM 1529 C GLY A 98 5.242 8.411 -15.754 1.00 0.00 C ATOM 1530 O GLY A 98 5.858 7.585 -16.434 1.00 0.00 O ATOM 0 H GLY A 98 3.752 6.802 -17.014 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.474 9.466 -16.381 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.298 8.625 -14.854 1.00 0.00 H new ATOM 1534 N GLN A 99 5.851 9.228 -14.892 1.00 0.00 N ATOM 1535 CA GLN A 99 7.289 9.215 -14.590 1.00 0.00 C ATOM 1536 C GLN A 99 7.721 7.932 -13.848 1.00 0.00 C ATOM 1537 O GLN A 99 6.910 7.253 -13.211 1.00 0.00 O ATOM 1538 CB GLN A 99 7.676 10.471 -13.780 1.00 0.00 C ATOM 1539 CG GLN A 99 7.512 11.804 -14.541 1.00 0.00 C ATOM 1540 CD GLN A 99 6.081 12.344 -14.642 1.00 0.00 C ATOM 1541 OE1 GLN A 99 5.135 11.867 -14.027 1.00 0.00 O ATOM 1542 NE2 GLN A 99 5.863 13.380 -15.425 1.00 0.00 N ATOM 0 H GLN A 99 5.343 9.940 -14.367 1.00 0.00 H new ATOM 0 HA GLN A 99 7.822 9.225 -15.541 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.067 10.506 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.714 10.376 -13.461 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.131 12.557 -14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.903 11.675 -15.550 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.634 13.795 -15.948 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.923 13.767 -15.509 1.00 0.00 H new ATOM 1551 N ASP A 100 9.017 7.607 -13.916 1.00 0.00 N ATOM 1552 CA ASP A 100 9.624 6.392 -13.348 1.00 0.00 C ATOM 1553 C ASP A 100 10.915 6.701 -12.559 1.00 0.00 C ATOM 1554 O ASP A 100 11.631 7.660 -12.865 1.00 0.00 O ATOM 1555 CB ASP A 100 9.881 5.396 -14.491 1.00 0.00 C ATOM 1556 CG ASP A 100 10.443 4.055 -13.993 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.773 3.393 -13.166 1.00 0.00 O ATOM 1558 OD2 ASP A 100 11.554 3.663 -14.425 1.00 0.00 O ATOM 0 H ASP A 100 9.699 8.203 -14.385 1.00 0.00 H new ATOM 0 HA ASP A 100 8.935 5.952 -12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.950 5.218 -15.029 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.580 5.837 -15.202 1.00 0.00 H new ATOM 1563 N GLY A 101 11.220 5.886 -11.544 1.00 0.00 N ATOM 1564 CA GLY A 101 12.403 6.025 -10.683 1.00 0.00 C ATOM 1565 C GLY A 101 12.594 4.843 -9.723 1.00 0.00 C ATOM 1566 O GLY A 101 11.740 3.957 -9.633 1.00 0.00 O ATOM 0 H GLY A 101 10.636 5.089 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.290 6.124 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.317 6.945 -10.104 1.00 0.00 H new ATOM 1570 N ILE A 102 13.720 4.831 -9.002 1.00 0.00 N ATOM 1571 CA ILE A 102 14.129 3.741 -8.099 1.00 0.00 C ATOM 1572 C ILE A 102 14.795 4.272 -6.814 1.00 0.00 C ATOM 1573 O ILE A 102 15.643 5.165 -6.864 1.00 0.00 O ATOM 1574 CB ILE A 102 15.024 2.732 -8.868 1.00 0.00 C ATOM 1575 CG1 ILE A 102 15.260 1.453 -8.036 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.353 3.351 -9.348 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.038 0.353 -8.766 1.00 0.00 C ATOM 0 H ILE A 102 14.392 5.598 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 102 13.237 3.211 -7.764 1.00 0.00 H new ATOM 0 HB ILE A 102 14.478 2.454 -9.770 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.800 1.720 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.294 1.053 -7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.935 2.597 -9.878 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.145 4.186 -10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.920 3.708 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.157 -0.507 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.491 0.052 -9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.020 0.730 -9.051 1.00 0.00 H new ATOM 1589 N GLY A 103 14.428 3.692 -5.667 1.00 0.00 N ATOM 1590 CA GLY A 103 15.122 3.845 -4.379 1.00 0.00 C ATOM 1591 C GLY A 103 15.320 5.283 -3.860 1.00 0.00 C ATOM 1592 O GLY A 103 14.471 6.162 -4.032 1.00 0.00 O ATOM 0 H GLY A 103 13.613 3.082 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.567 3.286 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.103 3.377 -4.464 1.00 0.00 H new ATOM 1596 N SER A 104 16.447 5.507 -3.177 1.00 0.00 N ATOM 1597 CA SER A 104 16.873 6.799 -2.612 1.00 0.00 C ATOM 1598 C SER A 104 18.404 6.863 -2.445 1.00 0.00 C ATOM 1599 O SER A 104 19.102 5.858 -2.619 1.00 0.00 O ATOM 1600 CB SER A 104 16.159 7.014 -1.274 1.00 0.00 C ATOM 1601 OG SER A 104 16.371 8.317 -0.766 1.00 0.00 O ATOM 0 H SER A 104 17.119 4.762 -2.993 1.00 0.00 H new ATOM 0 HA SER A 104 16.599 7.599 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 104 15.090 6.844 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.515 6.280 -0.551 1.00 0.00 H new ATOM 0 HG SER A 104 16.519 8.271 0.202 1.00 0.00 H new ATOM 1607 N LYS A 105 18.939 8.048 -2.121 1.00 0.00 N ATOM 1608 CA LYS A 105 20.383 8.350 -2.044 1.00 0.00 C ATOM 1609 C LYS A 105 21.100 7.573 -0.926 1.00 0.00 C ATOM 1610 O LYS A 105 20.503 7.254 0.106 1.00 0.00 O ATOM 1611 CB LYS A 105 20.550 9.878 -1.911 1.00 0.00 C ATOM 1612 CG LYS A 105 22.001 10.360 -2.075 1.00 0.00 C ATOM 1613 CD LYS A 105 22.079 11.892 -2.105 1.00 0.00 C ATOM 1614 CE LYS A 105 23.537 12.341 -2.274 1.00 0.00 C ATOM 1615 NZ LYS A 105 23.652 13.822 -2.323 1.00 0.00 N ATOM 0 H LYS A 105 18.359 8.857 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 105 20.868 8.012 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.927 10.369 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.181 10.191 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.608 9.979 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.419 9.954 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.474 12.279 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.668 12.303 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.135 11.956 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.946 11.913 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.651 14.089 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.102 14.187 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.284 14.228 -1.439 1.00 0.00 H new ATOM 1629 N ALA A 106 22.388 7.292 -1.115 1.00 0.00 N ATOM 1630 CA ALA A 106 23.284 6.667 -0.151 1.00 0.00 C ATOM 1631 C ALA A 106 24.706 7.231 -0.331 1.00 0.00 C ATOM 1632 O ALA A 106 25.166 7.471 -1.450 1.00 0.00 O ATOM 1633 CB ALA A 106 23.245 5.144 -0.335 1.00 0.00 C ATOM 0 H ALA A 106 22.858 7.507 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 106 22.964 6.891 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 106 23.914 4.673 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 106 22.229 4.784 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 106 23.564 4.891 -1.346 1.00 0.00 H new ATOM 1639 N GLU A 107 25.398 7.450 0.784 1.00 0.00 N ATOM 1640 CA GLU A 107 26.740 8.057 0.837 1.00 0.00 C ATOM 1641 C GLU A 107 27.844 7.144 0.260 1.00 0.00 C ATOM 1642 O GLU A 107 28.781 7.631 -0.380 1.00 0.00 O ATOM 1643 CB GLU A 107 27.046 8.414 2.302 1.00 0.00 C ATOM 1644 CG GLU A 107 28.317 9.257 2.474 1.00 0.00 C ATOM 1645 CD GLU A 107 28.658 9.431 3.963 1.00 0.00 C ATOM 1646 OE1 GLU A 107 29.360 8.551 4.520 1.00 0.00 O ATOM 1647 OE2 GLU A 107 28.236 10.438 4.582 1.00 0.00 O ATOM 0 H GLU A 107 25.037 7.206 1.706 1.00 0.00 H new ATOM 0 HA GLU A 107 26.736 8.948 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.199 8.959 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 107 27.149 7.494 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 107 29.149 8.778 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 107 28.176 10.234 2.012 1.00 0.00 H new ATOM 1654 N LYS A 108 27.726 5.825 0.480 1.00 0.00 N ATOM 1655 CA LYS A 108 28.713 4.792 0.111 1.00 0.00 C ATOM 1656 C LYS A 108 28.064 3.626 -0.649 1.00 0.00 C ATOM 1657 O LYS A 108 27.025 3.104 -0.182 1.00 0.00 O ATOM 1658 CB LYS A 108 29.460 4.291 1.363 1.00 0.00 C ATOM 1659 CG LYS A 108 30.248 5.386 2.105 1.00 0.00 C ATOM 1660 CD LYS A 108 31.138 4.762 3.192 1.00 0.00 C ATOM 1661 CE LYS A 108 31.975 5.800 3.955 1.00 0.00 C ATOM 1662 NZ LYS A 108 31.192 6.534 4.983 1.00 0.00 N ATOM 1663 OXT LYS A 108 28.600 3.242 -1.712 1.00 0.00 O ATOM 0 H LYS A 108 26.906 5.430 0.940 1.00 0.00 H new ATOM 0 HA LYS A 108 29.436 5.250 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 108 28.739 3.848 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.149 3.499 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.863 5.943 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.557 6.098 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 108 30.511 4.219 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 108 31.805 4.033 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.815 5.299 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.393 6.514 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 31.842 6.998 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 30.599 7.252 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 30.586 5.866 5.500 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.921 -2.756 -7.857 1.00 0.00 ZN