USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ -175:sc= 0.0556 (180deg=-0.283) USER MOD Set 1.2: A 29 GLN : amide:sc= 0.178 K(o=0.23,f=-1.8!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 177:sc= 0.2 (180deg=-0.0985) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0.241 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.224 (180deg=-0.98) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.38 (180deg=0.191) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 150:sc= -0.733 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -117:sc= 0.389 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-3!) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -1.1! (180deg=-1.8!) USER MOD Single : A 35 ASN : amide:sc= -5.23! C(o=-5.2!,f=-7.2!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0639 (180deg=-0.431) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= 0.615 (180deg=-0.263) USER MOD Single : A 45 LYS NZ :NH3+ -99:sc= 1.25 (180deg=0.0615) USER MOD Single : A 47 LYS NZ :NH3+ -118:sc= 0.331 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0.0722 (180deg=-0.134) USER MOD Single : A 60 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.11) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.664 3.109 9.956 1.00 0.00 N ATOM 2 CA MET A 1 -12.518 2.207 9.710 1.00 0.00 C ATOM 3 C MET A 1 -11.884 2.514 8.364 1.00 0.00 C ATOM 4 O MET A 1 -12.463 2.222 7.318 1.00 0.00 O ATOM 5 CB MET A 1 -12.945 0.734 9.742 1.00 0.00 C ATOM 6 CG MET A 1 -13.500 0.268 11.081 1.00 0.00 C ATOM 7 SD MET A 1 -15.179 0.848 11.388 1.00 0.00 S ATOM 8 CE MET A 1 -16.069 0.018 10.071 1.00 0.00 C ATOM 0 H1 MET A 1 -14.444 2.571 10.385 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.373 3.872 10.601 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.982 3.520 9.055 1.00 0.00 H new ATOM 0 HA MET A 1 -11.793 2.376 10.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.700 0.571 8.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.087 0.114 9.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.486 -0.821 11.114 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.848 0.620 11.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.117 -0.087 10.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.994 0.605 9.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.637 -0.969 9.906 1.00 0.00 H new ATOM 20 N ALA A 2 -10.705 3.115 8.385 1.00 0.00 N ATOM 21 CA ALA A 2 -9.981 3.382 7.152 1.00 0.00 C ATOM 22 C ALA A 2 -8.752 2.492 7.052 1.00 0.00 C ATOM 23 O ALA A 2 -8.460 1.932 5.998 1.00 0.00 O ATOM 24 CB ALA A 2 -9.588 4.850 7.052 1.00 0.00 C ATOM 0 H ALA A 2 -10.232 3.425 9.234 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.644 3.155 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.048 5.020 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.485 5.469 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.949 5.114 7.895 1.00 0.00 H new ATOM 30 N SER A 3 -8.030 2.396 8.171 1.00 0.00 N ATOM 31 CA SER A 3 -6.854 1.531 8.307 1.00 0.00 C ATOM 32 C SER A 3 -5.685 2.001 7.442 1.00 0.00 C ATOM 33 O SER A 3 -4.575 1.485 7.560 1.00 0.00 O ATOM 34 CB SER A 3 -7.215 0.080 7.979 1.00 0.00 C ATOM 35 OG SER A 3 -8.283 -0.370 8.800 1.00 0.00 O ATOM 0 H SER A 3 -8.247 2.922 9.018 1.00 0.00 H new ATOM 0 HA SER A 3 -6.529 1.591 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.498 -0.001 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.344 -0.559 8.125 1.00 0.00 H new ATOM 0 HG SER A 3 -8.500 -1.299 8.574 1.00 0.00 H new ATOM 41 N TYR A 4 -5.933 3.002 6.602 1.00 0.00 N ATOM 42 CA TYR A 4 -4.929 3.511 5.675 1.00 0.00 C ATOM 43 C TYR A 4 -3.687 4.020 6.404 1.00 0.00 C ATOM 44 O TYR A 4 -2.566 3.866 5.915 1.00 0.00 O ATOM 45 CB TYR A 4 -5.537 4.615 4.801 1.00 0.00 C ATOM 46 CG TYR A 4 -4.517 5.431 4.039 1.00 0.00 C ATOM 47 CD1 TYR A 4 -3.715 4.847 3.070 1.00 0.00 C ATOM 48 CD2 TYR A 4 -4.360 6.786 4.290 1.00 0.00 C ATOM 49 CE1 TYR A 4 -2.784 5.591 2.376 1.00 0.00 C ATOM 50 CE2 TYR A 4 -3.431 7.536 3.597 1.00 0.00 C ATOM 51 CZ TYR A 4 -2.645 6.932 2.643 1.00 0.00 C ATOM 52 OH TYR A 4 -1.715 7.672 1.954 1.00 0.00 O ATOM 0 H TYR A 4 -6.832 3.481 6.545 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.610 2.686 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.228 4.162 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.122 5.283 5.433 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.821 3.794 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.974 7.262 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.166 5.121 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.322 8.591 3.803 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.026 8.598 1.876 1.00 0.00 H new ATOM 62 N TYR A 5 -3.895 4.607 7.575 1.00 0.00 N ATOM 63 CA TYR A 5 -2.795 5.088 8.401 1.00 0.00 C ATOM 64 C TYR A 5 -1.827 3.948 8.706 1.00 0.00 C ATOM 65 O TYR A 5 -0.609 4.116 8.653 1.00 0.00 O ATOM 66 CB TYR A 5 -3.352 5.682 9.700 1.00 0.00 C ATOM 67 CG TYR A 5 -2.298 6.064 10.716 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.459 7.151 10.508 1.00 0.00 C ATOM 69 CD2 TYR A 5 -2.141 5.331 11.886 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.497 7.499 11.437 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.182 5.672 12.818 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.362 6.754 12.589 1.00 0.00 C ATOM 73 OH TYR A 5 0.595 7.094 13.516 1.00 0.00 O ATOM 0 H TYR A 5 -4.820 4.762 7.976 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.251 5.863 7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.942 6.566 9.457 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.031 4.960 10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.560 7.734 9.605 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.780 4.480 12.069 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.145 8.349 11.262 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.075 5.093 13.723 1.00 0.00 H new ATOM 0 HH TYR A 5 0.557 6.469 14.270 1.00 0.00 H new ATOM 83 N GLU A 6 -2.387 2.791 9.020 1.00 0.00 N ATOM 84 CA GLU A 6 -1.595 1.617 9.341 1.00 0.00 C ATOM 85 C GLU A 6 -0.967 0.995 8.096 1.00 0.00 C ATOM 86 O GLU A 6 0.213 0.643 8.094 1.00 0.00 O ATOM 87 CB GLU A 6 -2.475 0.579 10.027 1.00 0.00 C ATOM 88 CG GLU A 6 -3.007 1.040 11.365 1.00 0.00 C ATOM 89 CD GLU A 6 -1.917 1.176 12.402 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.082 0.254 12.515 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.875 2.214 13.091 1.00 0.00 O ATOM 0 H GLU A 6 -3.395 2.640 9.059 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.790 1.934 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.313 0.335 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.902 -0.338 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.510 1.999 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.755 0.331 11.719 1.00 0.00 H new ATOM 98 N ILE A 7 -1.772 0.868 7.044 1.00 0.00 N ATOM 99 CA ILE A 7 -1.405 0.063 5.882 1.00 0.00 C ATOM 100 C ILE A 7 -0.321 0.696 5.003 1.00 0.00 C ATOM 101 O ILE A 7 0.581 -0.004 4.537 1.00 0.00 O ATOM 102 CB ILE A 7 -2.650 -0.287 5.018 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.314 0.968 4.449 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.665 -1.055 5.846 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.999 1.230 2.996 1.00 0.00 C ATOM 0 H ILE A 7 -2.686 1.314 6.973 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.979 -0.852 6.295 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.306 -0.902 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.394 0.878 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.001 1.830 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.532 -1.294 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.214 -1.978 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.979 -0.445 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.508 2.137 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.923 1.354 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.338 0.388 2.393 1.00 0.00 H new ATOM 117 N LEU A 8 -0.387 2.003 4.777 1.00 0.00 N ATOM 118 CA LEU A 8 0.465 2.616 3.770 1.00 0.00 C ATOM 119 C LEU A 8 1.663 3.328 4.382 1.00 0.00 C ATOM 120 O LEU A 8 2.607 2.695 4.852 1.00 0.00 O ATOM 121 CB LEU A 8 -0.341 3.588 2.909 1.00 0.00 C ATOM 122 CG LEU A 8 0.014 3.625 1.416 1.00 0.00 C ATOM 123 CD1 LEU A 8 1.492 3.918 1.197 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.381 2.320 0.741 1.00 0.00 C ATOM 0 H LEU A 8 -1.009 2.646 5.267 1.00 0.00 H new ATOM 0 HA LEU A 8 0.850 1.811 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.397 3.335 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.216 4.591 3.316 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.552 4.438 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.705 3.936 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.740 4.886 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.091 3.142 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.122 2.365 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.151 1.492 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.455 2.167 0.845 1.00 0.00 H new ATOM 136 N ASP A 9 1.603 4.654 4.381 1.00 0.00 N ATOM 137 CA ASP A 9 2.749 5.472 4.760 1.00 0.00 C ATOM 138 C ASP A 9 2.308 6.673 5.585 1.00 0.00 C ATOM 139 O ASP A 9 3.002 7.095 6.507 1.00 0.00 O ATOM 140 CB ASP A 9 3.492 5.936 3.498 1.00 0.00 C ATOM 141 CG ASP A 9 4.837 6.575 3.788 1.00 0.00 C ATOM 142 OD1 ASP A 9 5.761 5.848 4.210 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.985 7.798 3.572 1.00 0.00 O ATOM 0 H ASP A 9 0.772 5.186 4.122 1.00 0.00 H new ATOM 0 HA ASP A 9 3.421 4.871 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.640 5.081 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.868 6.650 2.960 1.00 0.00 H new ATOM 148 N VAL A 10 1.146 7.219 5.253 1.00 0.00 N ATOM 149 CA VAL A 10 0.628 8.386 5.964 1.00 0.00 C ATOM 150 C VAL A 10 -0.823 8.178 6.413 1.00 0.00 C ATOM 151 O VAL A 10 -1.503 7.269 5.934 1.00 0.00 O ATOM 152 CB VAL A 10 0.722 9.669 5.103 1.00 0.00 C ATOM 153 CG1 VAL A 10 2.175 10.034 4.842 1.00 0.00 C ATOM 154 CG2 VAL A 10 -0.030 9.501 3.794 1.00 0.00 C ATOM 0 H VAL A 10 0.546 6.878 4.502 1.00 0.00 H new ATOM 0 HA VAL A 10 1.254 8.510 6.848 1.00 0.00 H new ATOM 0 HB VAL A 10 0.257 10.483 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.220 10.938 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.682 10.208 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.666 9.217 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.051 10.416 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.398 8.671 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.080 9.295 4.001 1.00 0.00 H new ATOM 164 N PRO A 11 -1.290 8.997 7.378 1.00 0.00 N ATOM 165 CA PRO A 11 -2.687 8.989 7.849 1.00 0.00 C ATOM 166 C PRO A 11 -3.688 9.349 6.758 1.00 0.00 C ATOM 167 O PRO A 11 -3.331 9.964 5.752 1.00 0.00 O ATOM 168 CB PRO A 11 -2.718 10.085 8.920 1.00 0.00 C ATOM 169 CG PRO A 11 -1.499 10.907 8.687 1.00 0.00 C ATOM 170 CD PRO A 11 -0.476 9.979 8.111 1.00 0.00 C ATOM 0 HA PRO A 11 -2.968 7.996 8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.621 10.690 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.715 9.655 9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.708 11.729 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.144 11.349 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.216 10.502 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.122 9.506 8.889 1.00 0.00 H new ATOM 178 N ARG A 12 -4.955 8.991 6.968 1.00 0.00 N ATOM 179 CA ARG A 12 -5.993 9.374 6.028 1.00 0.00 C ATOM 180 C ARG A 12 -6.392 10.826 6.285 1.00 0.00 C ATOM 181 O ARG A 12 -7.023 11.159 7.286 1.00 0.00 O ATOM 182 CB ARG A 12 -7.215 8.428 6.063 1.00 0.00 C ATOM 183 CG ARG A 12 -8.140 8.568 7.268 1.00 0.00 C ATOM 184 CD ARG A 12 -7.632 7.811 8.486 1.00 0.00 C ATOM 185 NE ARG A 12 -6.858 8.651 9.396 1.00 0.00 N ATOM 186 CZ ARG A 12 -6.537 8.286 10.639 1.00 0.00 C ATOM 187 NH1 ARG A 12 -6.955 7.118 11.114 1.00 0.00 N ATOM 188 NH2 ARG A 12 -5.836 9.103 11.413 1.00 0.00 N ATOM 0 H ARG A 12 -5.278 8.446 7.768 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.588 9.284 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.802 8.593 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.854 7.400 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.247 9.623 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.132 8.201 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.480 7.387 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.014 6.976 8.157 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.547 9.564 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.520 6.502 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.711 6.837 12.064 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.541 10.013 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.592 8.822 12.363 1.00 0.00 H new ATOM 202 N SER A 13 -5.964 11.675 5.381 1.00 0.00 N ATOM 203 CA SER A 13 -6.136 13.114 5.495 1.00 0.00 C ATOM 204 C SER A 13 -5.589 13.740 4.227 1.00 0.00 C ATOM 205 O SER A 13 -6.139 14.701 3.692 1.00 0.00 O ATOM 206 CB SER A 13 -5.391 13.647 6.728 1.00 0.00 C ATOM 207 OG SER A 13 -5.678 15.017 6.973 1.00 0.00 O ATOM 0 H SER A 13 -5.479 11.387 4.531 1.00 0.00 H new ATOM 0 HA SER A 13 -7.190 13.365 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.668 13.057 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.318 13.521 6.585 1.00 0.00 H new ATOM 0 HG SER A 13 -5.186 15.317 7.766 1.00 0.00 H new ATOM 213 N ALA A 14 -4.506 13.151 3.745 1.00 0.00 N ATOM 214 CA ALA A 14 -3.929 13.522 2.475 1.00 0.00 C ATOM 215 C ALA A 14 -4.812 13.024 1.332 1.00 0.00 C ATOM 216 O ALA A 14 -5.455 11.976 1.443 1.00 0.00 O ATOM 217 CB ALA A 14 -2.536 12.933 2.378 1.00 0.00 C ATOM 0 H ALA A 14 -4.007 12.404 4.227 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.864 14.607 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.091 13.207 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.920 13.320 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.594 11.847 2.453 1.00 0.00 H new ATOM 223 N SER A 15 -4.869 13.797 0.254 1.00 0.00 N ATOM 224 CA SER A 15 -5.711 13.466 -0.890 1.00 0.00 C ATOM 225 C SER A 15 -5.197 12.225 -1.612 1.00 0.00 C ATOM 226 O SER A 15 -4.054 11.816 -1.407 1.00 0.00 O ATOM 227 CB SER A 15 -5.775 14.652 -1.861 1.00 0.00 C ATOM 228 OG SER A 15 -6.665 14.394 -2.936 1.00 0.00 O ATOM 0 H SER A 15 -4.339 14.662 0.148 1.00 0.00 H new ATOM 0 HA SER A 15 -6.714 13.252 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.098 15.545 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.779 14.858 -2.253 1.00 0.00 H new ATOM 0 HG SER A 15 -6.165 14.384 -3.779 1.00 0.00 H new ATOM 234 N ALA A 16 -6.033 11.660 -2.479 1.00 0.00 N ATOM 235 CA ALA A 16 -5.701 10.440 -3.224 1.00 0.00 C ATOM 236 C ALA A 16 -4.356 10.560 -3.942 1.00 0.00 C ATOM 237 O ALA A 16 -3.642 9.571 -4.126 1.00 0.00 O ATOM 238 CB ALA A 16 -6.802 10.118 -4.218 1.00 0.00 C ATOM 0 H ALA A 16 -6.960 12.031 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.617 9.626 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.545 9.211 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.741 9.966 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.913 10.945 -4.919 1.00 0.00 H new ATOM 244 N ASP A 17 -4.015 11.782 -4.325 1.00 0.00 N ATOM 245 CA ASP A 17 -2.755 12.065 -5.003 1.00 0.00 C ATOM 246 C ASP A 17 -1.580 11.634 -4.141 1.00 0.00 C ATOM 247 O ASP A 17 -0.625 11.024 -4.624 1.00 0.00 O ATOM 248 CB ASP A 17 -2.629 13.563 -5.260 1.00 0.00 C ATOM 249 CG ASP A 17 -3.826 14.147 -5.971 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.838 14.429 -5.292 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.761 14.338 -7.201 1.00 0.00 O ATOM 0 H ASP A 17 -4.601 12.604 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.746 11.515 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.492 14.078 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.735 13.749 -5.855 1.00 0.00 H new ATOM 256 N ASP A 18 -1.666 11.965 -2.864 1.00 0.00 N ATOM 257 CA ASP A 18 -0.618 11.649 -1.902 1.00 0.00 C ATOM 258 C ASP A 18 -0.556 10.149 -1.667 1.00 0.00 C ATOM 259 O ASP A 18 0.513 9.596 -1.465 1.00 0.00 O ATOM 260 CB ASP A 18 -0.875 12.358 -0.580 1.00 0.00 C ATOM 261 CG ASP A 18 0.391 12.555 0.241 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.841 11.605 0.916 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.937 13.681 0.224 1.00 0.00 O ATOM 0 H ASP A 18 -2.462 12.460 -2.463 1.00 0.00 H new ATOM 0 HA ASP A 18 0.333 11.991 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.330 13.329 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.594 11.781 0.002 1.00 0.00 H new ATOM 268 N ILE A 19 -1.717 9.501 -1.697 1.00 0.00 N ATOM 269 CA ILE A 19 -1.794 8.043 -1.553 1.00 0.00 C ATOM 270 C ILE A 19 -0.958 7.349 -2.630 1.00 0.00 C ATOM 271 O ILE A 19 -0.162 6.454 -2.331 1.00 0.00 O ATOM 272 CB ILE A 19 -3.258 7.524 -1.630 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.975 7.711 -0.296 1.00 0.00 C ATOM 274 CG2 ILE A 19 -3.313 6.063 -2.055 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.427 9.123 -0.056 1.00 0.00 C ATOM 0 H ILE A 19 -2.620 9.959 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.397 7.804 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.770 8.116 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.840 7.049 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.309 7.408 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.352 5.735 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.857 5.953 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.770 5.453 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.929 9.185 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.563 9.787 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.118 9.423 -0.844 1.00 0.00 H new ATOM 287 N LYS A 20 -1.126 7.777 -3.877 1.00 0.00 N ATOM 288 CA LYS A 20 -0.355 7.217 -4.981 1.00 0.00 C ATOM 289 C LYS A 20 1.124 7.563 -4.818 1.00 0.00 C ATOM 290 O LYS A 20 2.003 6.743 -5.092 1.00 0.00 O ATOM 291 CB LYS A 20 -0.880 7.744 -6.322 1.00 0.00 C ATOM 292 CG LYS A 20 -0.155 7.174 -7.534 1.00 0.00 C ATOM 293 CD LYS A 20 -0.670 7.779 -8.832 1.00 0.00 C ATOM 294 CE LYS A 20 -2.101 7.358 -9.132 1.00 0.00 C ATOM 295 NZ LYS A 20 -2.205 5.908 -9.462 1.00 0.00 N ATOM 0 H LYS A 20 -1.786 8.506 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.465 6.133 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.942 7.511 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.791 8.830 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.914 7.365 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.284 6.092 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.618 8.866 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.023 7.475 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.731 7.579 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.484 7.947 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.203 5.656 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.666 5.710 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.818 5.345 -8.678 1.00 0.00 H new ATOM 309 N LYS A 21 1.384 8.778 -4.351 1.00 0.00 N ATOM 310 CA LYS A 21 2.742 9.250 -4.143 1.00 0.00 C ATOM 311 C LYS A 21 3.398 8.514 -2.973 1.00 0.00 C ATOM 312 O LYS A 21 4.598 8.246 -2.997 1.00 0.00 O ATOM 313 CB LYS A 21 2.740 10.762 -3.901 1.00 0.00 C ATOM 314 CG LYS A 21 3.833 11.489 -4.662 1.00 0.00 C ATOM 315 CD LYS A 21 5.205 11.189 -4.092 1.00 0.00 C ATOM 316 CE LYS A 21 6.269 11.272 -5.163 1.00 0.00 C ATOM 317 NZ LYS A 21 7.638 11.361 -4.593 1.00 0.00 N ATOM 0 H LYS A 21 0.663 9.458 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 21 3.326 9.041 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.771 11.169 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.859 10.953 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.803 11.196 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.650 12.563 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.433 11.895 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.208 10.193 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.202 10.395 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.082 12.143 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.333 11.416 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.712 12.212 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.829 10.518 -4.015 1.00 0.00 H new ATOM 331 N ALA A 22 2.609 8.195 -1.950 1.00 0.00 N ATOM 332 CA ALA A 22 3.094 7.431 -0.807 1.00 0.00 C ATOM 333 C ALA A 22 3.517 6.035 -1.241 1.00 0.00 C ATOM 334 O ALA A 22 4.490 5.480 -0.728 1.00 0.00 O ATOM 335 CB ALA A 22 2.043 7.367 0.300 1.00 0.00 C ATOM 0 H ALA A 22 1.625 8.457 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 22 3.967 7.943 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.433 6.791 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.804 8.377 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.142 6.887 -0.081 1.00 0.00 H new ATOM 341 N TYR A 23 2.788 5.481 -2.198 1.00 0.00 N ATOM 342 CA TYR A 23 3.160 4.216 -2.805 1.00 0.00 C ATOM 343 C TYR A 23 4.486 4.356 -3.541 1.00 0.00 C ATOM 344 O TYR A 23 5.396 3.552 -3.354 1.00 0.00 O ATOM 345 CB TYR A 23 2.044 3.733 -3.746 1.00 0.00 C ATOM 346 CG TYR A 23 2.518 2.847 -4.882 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.822 1.510 -4.671 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.662 3.357 -6.168 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.258 0.706 -5.706 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.097 2.560 -7.208 1.00 0.00 C ATOM 351 CZ TYR A 23 3.395 1.235 -6.972 1.00 0.00 C ATOM 352 OH TYR A 23 3.830 0.433 -8.005 1.00 0.00 O ATOM 0 H TYR A 23 1.932 5.891 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 23 3.289 3.467 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.304 3.187 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.539 4.603 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.716 1.091 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.429 4.395 -6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.491 -0.333 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.203 2.972 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 23 3.871 0.958 -8.832 1.00 0.00 H new ATOM 362 N ARG A 24 4.600 5.404 -4.350 1.00 0.00 N ATOM 363 CA ARG A 24 5.809 5.633 -5.130 1.00 0.00 C ATOM 364 C ARG A 24 7.007 5.908 -4.229 1.00 0.00 C ATOM 365 O ARG A 24 8.089 5.370 -4.450 1.00 0.00 O ATOM 366 CB ARG A 24 5.620 6.789 -6.115 1.00 0.00 C ATOM 367 CG ARG A 24 4.575 6.516 -7.175 1.00 0.00 C ATOM 368 CD ARG A 24 4.391 7.724 -8.068 1.00 0.00 C ATOM 369 NE ARG A 24 5.577 7.985 -8.882 1.00 0.00 N ATOM 370 CZ ARG A 24 5.623 8.877 -9.870 1.00 0.00 C ATOM 371 NH1 ARG A 24 4.538 9.565 -10.204 1.00 0.00 N ATOM 372 NH2 ARG A 24 6.760 9.081 -10.525 1.00 0.00 N ATOM 0 H ARG A 24 3.872 6.106 -4.482 1.00 0.00 H new ATOM 0 HA ARG A 24 6.005 4.722 -5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.339 7.685 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.572 7.001 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.874 5.656 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.627 6.260 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.531 7.567 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.171 8.598 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 24 6.422 7.451 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.663 9.412 -9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.580 10.247 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.596 8.555 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.797 9.764 -11.282 1.00 0.00 H new ATOM 386 N ARG A 25 6.813 6.726 -3.200 1.00 0.00 N ATOM 387 CA ARG A 25 7.909 7.087 -2.311 1.00 0.00 C ATOM 388 C ARG A 25 8.405 5.860 -1.551 1.00 0.00 C ATOM 389 O ARG A 25 9.609 5.673 -1.376 1.00 0.00 O ATOM 390 CB ARG A 25 7.501 8.210 -1.335 1.00 0.00 C ATOM 391 CG ARG A 25 6.572 7.768 -0.214 1.00 0.00 C ATOM 392 CD ARG A 25 6.292 8.889 0.779 1.00 0.00 C ATOM 393 NE ARG A 25 5.395 9.909 0.244 1.00 0.00 N ATOM 394 CZ ARG A 25 4.215 10.217 0.788 1.00 0.00 C ATOM 395 NH1 ARG A 25 3.820 9.623 1.913 1.00 0.00 N ATOM 396 NH2 ARG A 25 3.437 11.134 0.224 1.00 0.00 N ATOM 0 H ARG A 25 5.915 7.148 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 25 8.725 7.469 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.403 8.637 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.015 9.005 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.631 7.420 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.016 6.923 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.855 8.466 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.234 9.356 1.068 1.00 0.00 H new ATOM 0 HE ARG A 25 5.686 10.415 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.420 8.930 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.918 9.861 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.740 11.606 -0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.536 11.366 0.643 1.00 0.00 H new ATOM 410 N LYS A 26 7.475 5.017 -1.124 1.00 0.00 N ATOM 411 CA LYS A 26 7.818 3.800 -0.417 1.00 0.00 C ATOM 412 C LYS A 26 8.442 2.786 -1.368 1.00 0.00 C ATOM 413 O LYS A 26 9.340 2.036 -0.991 1.00 0.00 O ATOM 414 CB LYS A 26 6.572 3.230 0.245 1.00 0.00 C ATOM 415 CG LYS A 26 6.822 1.967 1.036 1.00 0.00 C ATOM 416 CD LYS A 26 5.595 1.591 1.837 1.00 0.00 C ATOM 417 CE LYS A 26 5.280 2.636 2.903 1.00 0.00 C ATOM 418 NZ LYS A 26 6.408 2.828 3.856 1.00 0.00 N ATOM 0 H LYS A 26 6.474 5.158 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 26 8.554 4.028 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.147 3.984 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.826 3.024 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.085 1.154 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.670 2.112 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.741 1.484 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.752 0.622 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.049 3.586 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.389 2.333 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.118 3.483 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.669 1.912 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.226 3.223 3.350 1.00 0.00 H new ATOM 432 N ALA A 27 7.949 2.770 -2.597 1.00 0.00 N ATOM 433 CA ALA A 27 8.526 1.943 -3.652 1.00 0.00 C ATOM 434 C ALA A 27 10.017 2.225 -3.821 1.00 0.00 C ATOM 435 O ALA A 27 10.816 1.303 -3.940 1.00 0.00 O ATOM 436 CB ALA A 27 7.798 2.174 -4.966 1.00 0.00 C ATOM 0 H ALA A 27 7.145 3.324 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 27 8.408 0.899 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.241 1.550 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.746 1.916 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.885 3.223 -5.251 1.00 0.00 H new ATOM 442 N LEU A 28 10.382 3.506 -3.835 1.00 0.00 N ATOM 443 CA LEU A 28 11.788 3.909 -3.902 1.00 0.00 C ATOM 444 C LEU A 28 12.499 3.618 -2.581 1.00 0.00 C ATOM 445 O LEU A 28 13.684 3.275 -2.560 1.00 0.00 O ATOM 446 CB LEU A 28 11.915 5.393 -4.268 1.00 0.00 C ATOM 447 CG LEU A 28 11.913 5.705 -5.767 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.559 5.392 -6.378 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.282 7.161 -6.004 1.00 0.00 C ATOM 0 H LEU A 28 9.724 4.284 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 28 12.269 3.323 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.094 5.936 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.839 5.778 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 28 12.659 5.075 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.579 5.621 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.332 4.335 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.792 5.995 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.277 7.368 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.558 7.806 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.277 7.354 -5.602 1.00 0.00 H new ATOM 461 N GLN A 29 11.762 3.771 -1.490 1.00 0.00 N ATOM 462 CA GLN A 29 12.268 3.519 -0.141 1.00 0.00 C ATOM 463 C GLN A 29 12.692 2.056 0.033 1.00 0.00 C ATOM 464 O GLN A 29 13.679 1.764 0.712 1.00 0.00 O ATOM 465 CB GLN A 29 11.174 3.888 0.867 1.00 0.00 C ATOM 466 CG GLN A 29 11.465 3.509 2.308 1.00 0.00 C ATOM 467 CD GLN A 29 10.308 3.856 3.229 1.00 0.00 C ATOM 468 OE1 GLN A 29 9.386 3.059 3.425 1.00 0.00 O ATOM 469 NE2 GLN A 29 10.340 5.050 3.794 1.00 0.00 N ATOM 0 H GLN A 29 10.789 4.076 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 29 13.154 4.131 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.006 4.964 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.245 3.406 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.669 2.440 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.364 4.025 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.119 5.682 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.586 5.340 4.416 1.00 0.00 H new ATOM 478 N TRP A 30 11.948 1.147 -0.583 1.00 0.00 N ATOM 479 CA TRP A 30 12.260 -0.279 -0.516 1.00 0.00 C ATOM 480 C TRP A 30 12.710 -0.800 -1.877 1.00 0.00 C ATOM 481 O TRP A 30 12.663 -1.999 -2.151 1.00 0.00 O ATOM 482 CB TRP A 30 11.060 -1.078 -0.008 1.00 0.00 C ATOM 483 CG TRP A 30 10.689 -0.750 1.403 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.766 0.165 1.816 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.235 -1.335 2.590 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.705 0.187 3.187 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.597 -0.725 3.686 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.202 -2.313 2.834 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.892 -1.062 5.002 1.00 0.00 C ATOM 490 CZ3 TRP A 30 12.495 -2.649 4.142 1.00 0.00 C ATOM 491 CH2 TRP A 30 11.842 -2.024 5.211 1.00 0.00 C ATOM 0 H TRP A 30 11.121 1.370 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 30 13.080 -0.409 0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.204 -0.887 -0.656 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.283 -2.142 -0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 30 9.170 0.782 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.095 0.785 3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.712 -2.798 2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.390 -0.582 5.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.239 -3.405 4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.094 -2.307 6.222 1.00 0.00 H new ATOM 502 N HIS A 31 13.123 0.117 -2.735 1.00 0.00 N ATOM 503 CA HIS A 31 13.611 -0.232 -4.062 1.00 0.00 C ATOM 504 C HIS A 31 14.984 -0.888 -3.921 1.00 0.00 C ATOM 505 O HIS A 31 15.756 -0.525 -3.042 1.00 0.00 O ATOM 506 CB HIS A 31 13.689 1.041 -4.922 1.00 0.00 C ATOM 507 CG HIS A 31 13.741 0.799 -6.399 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.626 0.505 -7.154 1.00 0.00 N ATOM 509 CD2 HIS A 31 14.783 0.800 -7.262 1.00 0.00 C ATOM 510 CE1 HIS A 31 12.982 0.333 -8.412 1.00 0.00 C ATOM 511 NE2 HIS A 31 14.287 0.506 -8.506 1.00 0.00 N ATOM 0 H HIS A 31 13.131 1.117 -2.536 1.00 0.00 H new ATOM 0 HA HIS A 31 12.935 -0.934 -4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.824 1.666 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.574 1.607 -4.629 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.816 0.996 -7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.317 0.091 -9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.836 0.433 -9.363 1.00 0.00 H new ATOM 520 N PRO A 32 15.293 -1.878 -4.788 1.00 0.00 N ATOM 521 CA PRO A 32 16.523 -2.690 -4.705 1.00 0.00 C ATOM 522 C PRO A 32 17.801 -1.861 -4.670 1.00 0.00 C ATOM 523 O PRO A 32 18.809 -2.288 -4.111 1.00 0.00 O ATOM 524 CB PRO A 32 16.489 -3.539 -5.983 1.00 0.00 C ATOM 525 CG PRO A 32 15.462 -2.899 -6.848 1.00 0.00 C ATOM 526 CD PRO A 32 14.452 -2.326 -5.905 1.00 0.00 C ATOM 0 HA PRO A 32 16.541 -3.267 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.463 -3.553 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.228 -4.574 -5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.903 -2.122 -7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.005 -3.626 -7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.897 -1.502 -6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.720 -3.070 -5.591 1.00 0.00 H new ATOM 534 N ASP A 33 17.762 -0.687 -5.277 1.00 0.00 N ATOM 535 CA ASP A 33 18.908 0.217 -5.255 1.00 0.00 C ATOM 536 C ASP A 33 19.142 0.735 -3.837 1.00 0.00 C ATOM 537 O ASP A 33 20.257 1.101 -3.470 1.00 0.00 O ATOM 538 CB ASP A 33 18.680 1.402 -6.199 1.00 0.00 C ATOM 539 CG ASP A 33 17.814 2.483 -5.578 1.00 0.00 C ATOM 540 OD1 ASP A 33 16.613 2.236 -5.351 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.338 3.580 -5.295 1.00 0.00 O ATOM 0 H ASP A 33 16.954 -0.335 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 33 19.785 -0.337 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.643 1.829 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.210 1.047 -7.116 1.00 0.00 H new ATOM 546 N LYS A 34 18.079 0.745 -3.044 1.00 0.00 N ATOM 547 CA LYS A 34 18.115 1.298 -1.702 1.00 0.00 C ATOM 548 C LYS A 34 18.040 0.192 -0.648 1.00 0.00 C ATOM 549 O LYS A 34 18.018 0.470 0.550 1.00 0.00 O ATOM 550 CB LYS A 34 16.939 2.261 -1.514 1.00 0.00 C ATOM 551 CG LYS A 34 17.302 3.533 -0.769 1.00 0.00 C ATOM 552 CD LYS A 34 18.161 4.450 -1.626 1.00 0.00 C ATOM 553 CE LYS A 34 17.319 5.377 -2.500 1.00 0.00 C ATOM 554 NZ LYS A 34 16.551 4.654 -3.553 1.00 0.00 N ATOM 0 H LYS A 34 17.170 0.370 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 34 19.058 1.830 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.538 2.526 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.144 1.748 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.392 4.055 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.837 3.281 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.806 5.047 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.812 3.848 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.624 5.930 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.971 6.110 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.194 5.336 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.172 3.967 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.750 4.154 -3.117 1.00 0.00 H new ATOM 568 N ASN A 35 18.010 -1.060 -1.088 1.00 0.00 N ATOM 569 CA ASN A 35 17.854 -2.176 -0.163 1.00 0.00 C ATOM 570 C ASN A 35 19.193 -2.884 0.041 1.00 0.00 C ATOM 571 O ASN A 35 19.982 -3.031 -0.896 1.00 0.00 O ATOM 572 CB ASN A 35 16.781 -3.160 -0.674 1.00 0.00 C ATOM 573 CG ASN A 35 17.353 -4.379 -1.379 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.638 -4.352 -2.570 1.00 0.00 O ATOM 575 ND2 ASN A 35 17.490 -5.473 -0.651 1.00 0.00 N ATOM 0 H ASN A 35 18.091 -1.327 -2.069 1.00 0.00 H new ATOM 0 HA ASN A 35 17.521 -1.788 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.174 -3.491 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.116 -2.634 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.842 -6.329 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.243 -5.461 0.339 1.00 0.00 H new ATOM 582 N PRO A 36 19.479 -3.295 1.288 1.00 0.00 N ATOM 583 CA PRO A 36 20.729 -3.966 1.639 1.00 0.00 C ATOM 584 C PRO A 36 20.662 -5.485 1.443 1.00 0.00 C ATOM 585 O PRO A 36 20.432 -5.965 0.335 1.00 0.00 O ATOM 586 CB PRO A 36 20.873 -3.615 3.117 1.00 0.00 C ATOM 587 CG PRO A 36 19.472 -3.582 3.622 1.00 0.00 C ATOM 588 CD PRO A 36 18.612 -3.115 2.469 1.00 0.00 C ATOM 0 HA PRO A 36 21.566 -3.652 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.470 -4.358 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.368 -2.653 3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.160 -4.568 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 36 19.382 -2.906 4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.698 -3.703 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.312 -2.074 2.590 1.00 0.00 H new ATOM 596 N ASP A 37 20.857 -6.239 2.524 1.00 0.00 N ATOM 597 CA ASP A 37 20.866 -7.702 2.453 1.00 0.00 C ATOM 598 C ASP A 37 19.460 -8.267 2.589 1.00 0.00 C ATOM 599 O ASP A 37 19.233 -9.460 2.395 1.00 0.00 O ATOM 600 CB ASP A 37 21.762 -8.287 3.546 1.00 0.00 C ATOM 601 CG ASP A 37 23.228 -7.992 3.321 1.00 0.00 C ATOM 602 OD1 ASP A 37 23.663 -6.858 3.616 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.957 -8.889 2.846 1.00 0.00 O ATOM 0 H ASP A 37 21.011 -5.863 3.459 1.00 0.00 H new ATOM 0 HA ASP A 37 21.261 -7.983 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.459 -7.884 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 37 21.616 -9.366 3.591 1.00 0.00 H new ATOM 608 N ASN A 38 18.513 -7.400 2.908 1.00 0.00 N ATOM 609 CA ASN A 38 17.129 -7.815 3.068 1.00 0.00 C ATOM 610 C ASN A 38 16.319 -7.429 1.841 1.00 0.00 C ATOM 611 O ASN A 38 15.971 -6.262 1.658 1.00 0.00 O ATOM 612 CB ASN A 38 16.511 -7.192 4.327 1.00 0.00 C ATOM 613 CG ASN A 38 17.094 -7.761 5.608 1.00 0.00 C ATOM 614 OD1 ASN A 38 16.639 -8.790 6.104 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.077 -7.081 6.177 1.00 0.00 N ATOM 0 H ASN A 38 18.677 -6.405 3.061 1.00 0.00 H new ATOM 0 HA ASN A 38 17.110 -8.899 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.668 -6.114 4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.434 -7.357 4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.481 -7.407 7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.430 -6.231 5.738 1.00 0.00 H new ATOM 622 N LYS A 39 16.040 -8.408 0.994 1.00 0.00 N ATOM 623 CA LYS A 39 15.271 -8.170 -0.220 1.00 0.00 C ATOM 624 C LYS A 39 13.817 -8.541 0.007 1.00 0.00 C ATOM 625 O LYS A 39 12.915 -7.929 -0.560 1.00 0.00 O ATOM 626 CB LYS A 39 15.809 -8.997 -1.399 1.00 0.00 C ATOM 627 CG LYS A 39 17.263 -8.738 -1.770 1.00 0.00 C ATOM 628 CD LYS A 39 18.223 -9.426 -0.812 1.00 0.00 C ATOM 629 CE LYS A 39 19.654 -9.352 -1.311 1.00 0.00 C ATOM 630 NZ LYS A 39 19.836 -10.092 -2.589 1.00 0.00 N ATOM 0 H LYS A 39 16.334 -9.376 1.124 1.00 0.00 H new ATOM 0 HA LYS A 39 15.361 -7.111 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.696 -10.055 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.188 -8.799 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.447 -9.091 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.453 -7.665 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.155 -8.960 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.932 -10.469 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.935 -8.309 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.324 -9.763 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.844 -10.310 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.291 -10.977 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.500 -9.506 -3.380 1.00 0.00 H new ATOM 644 N GLU A 40 13.608 -9.527 0.870 1.00 0.00 N ATOM 645 CA GLU A 40 12.275 -10.055 1.135 1.00 0.00 C ATOM 646 C GLU A 40 11.383 -8.965 1.713 1.00 0.00 C ATOM 647 O GLU A 40 10.258 -8.779 1.270 1.00 0.00 O ATOM 648 CB GLU A 40 12.377 -11.249 2.097 1.00 0.00 C ATOM 649 CG GLU A 40 11.104 -12.079 2.234 1.00 0.00 C ATOM 650 CD GLU A 40 10.043 -11.420 3.095 1.00 0.00 C ATOM 651 OE1 GLU A 40 10.322 -11.146 4.280 1.00 0.00 O ATOM 652 OE2 GLU A 40 8.922 -11.193 2.595 1.00 0.00 O ATOM 0 H GLU A 40 14.351 -9.980 1.402 1.00 0.00 H new ATOM 0 HA GLU A 40 11.828 -10.396 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.183 -11.901 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.659 -10.879 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.692 -12.265 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.356 -13.049 2.661 1.00 0.00 H new ATOM 659 N PHE A 41 11.917 -8.215 2.663 1.00 0.00 N ATOM 660 CA PHE A 41 11.176 -7.130 3.285 1.00 0.00 C ATOM 661 C PHE A 41 10.901 -6.006 2.297 1.00 0.00 C ATOM 662 O PHE A 41 9.830 -5.399 2.323 1.00 0.00 O ATOM 663 CB PHE A 41 11.938 -6.597 4.495 1.00 0.00 C ATOM 664 CG PHE A 41 12.129 -7.628 5.565 1.00 0.00 C ATOM 665 CD1 PHE A 41 11.062 -8.032 6.346 1.00 0.00 C ATOM 666 CD2 PHE A 41 13.370 -8.202 5.781 1.00 0.00 C ATOM 667 CE1 PHE A 41 11.227 -8.987 7.326 1.00 0.00 C ATOM 668 CE2 PHE A 41 13.542 -9.158 6.763 1.00 0.00 C ATOM 669 CZ PHE A 41 12.469 -9.552 7.535 1.00 0.00 C ATOM 0 H PHE A 41 12.864 -8.338 3.021 1.00 0.00 H new ATOM 0 HA PHE A 41 10.216 -7.526 3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.913 -6.231 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.400 -5.745 4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.088 -7.594 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.212 -7.899 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.385 -9.293 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.515 -9.596 6.926 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.600 -10.301 8.302 1.00 0.00 H new ATOM 679 N ALA A 42 11.865 -5.736 1.427 1.00 0.00 N ATOM 680 CA ALA A 42 11.730 -4.658 0.457 1.00 0.00 C ATOM 681 C ALA A 42 10.658 -4.983 -0.576 1.00 0.00 C ATOM 682 O ALA A 42 9.798 -4.154 -0.873 1.00 0.00 O ATOM 683 CB ALA A 42 13.063 -4.395 -0.228 1.00 0.00 C ATOM 0 H ALA A 42 12.746 -6.247 1.373 1.00 0.00 H new ATOM 0 HA ALA A 42 11.424 -3.758 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.948 -3.587 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.806 -4.112 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.392 -5.298 -0.743 1.00 0.00 H new ATOM 689 N GLU A 43 10.687 -6.202 -1.100 1.00 0.00 N ATOM 690 CA GLU A 43 9.683 -6.625 -2.066 1.00 0.00 C ATOM 691 C GLU A 43 8.329 -6.798 -1.389 1.00 0.00 C ATOM 692 O GLU A 43 7.295 -6.495 -1.978 1.00 0.00 O ATOM 693 CB GLU A 43 10.097 -7.902 -2.805 1.00 0.00 C ATOM 694 CG GLU A 43 10.324 -9.110 -1.915 1.00 0.00 C ATOM 695 CD GLU A 43 10.689 -10.342 -2.711 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.821 -10.400 -3.242 1.00 0.00 O ATOM 697 OE2 GLU A 43 9.839 -11.250 -2.832 1.00 0.00 O ATOM 0 H GLU A 43 11.388 -6.908 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 43 9.598 -5.838 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.327 -8.147 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.013 -7.702 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.119 -8.891 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.422 -9.307 -1.335 1.00 0.00 H new ATOM 704 N LYS A 44 8.343 -7.282 -0.148 1.00 0.00 N ATOM 705 CA LYS A 44 7.131 -7.466 0.625 1.00 0.00 C ATOM 706 C LYS A 44 6.410 -6.135 0.795 1.00 0.00 C ATOM 707 O LYS A 44 5.198 -6.046 0.609 1.00 0.00 O ATOM 708 CB LYS A 44 7.510 -8.044 1.982 1.00 0.00 C ATOM 709 CG LYS A 44 6.382 -8.122 2.984 1.00 0.00 C ATOM 710 CD LYS A 44 6.919 -7.884 4.379 1.00 0.00 C ATOM 711 CE LYS A 44 7.872 -8.983 4.833 1.00 0.00 C ATOM 712 NZ LYS A 44 7.240 -10.328 4.808 1.00 0.00 N ATOM 0 H LYS A 44 9.195 -7.555 0.342 1.00 0.00 H new ATOM 0 HA LYS A 44 6.457 -8.150 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.913 -9.046 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.311 -7.439 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.620 -7.380 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.903 -9.100 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.436 -6.925 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.086 -7.818 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.752 -8.986 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.217 -8.766 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.444 -10.824 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.211 -10.226 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.623 -10.877 4.012 1.00 0.00 H new ATOM 726 N LYS A 45 7.175 -5.096 1.115 1.00 0.00 N ATOM 727 CA LYS A 45 6.614 -3.766 1.290 1.00 0.00 C ATOM 728 C LYS A 45 6.120 -3.212 -0.030 1.00 0.00 C ATOM 729 O LYS A 45 5.063 -2.592 -0.091 1.00 0.00 O ATOM 730 CB LYS A 45 7.637 -2.820 1.914 1.00 0.00 C ATOM 731 CG LYS A 45 7.801 -3.039 3.404 1.00 0.00 C ATOM 732 CD LYS A 45 6.453 -3.018 4.091 1.00 0.00 C ATOM 733 CE LYS A 45 6.558 -3.156 5.597 1.00 0.00 C ATOM 734 NZ LYS A 45 5.225 -3.036 6.241 1.00 0.00 N ATOM 0 H LYS A 45 8.183 -5.152 1.258 1.00 0.00 H new ATOM 0 HA LYS A 45 5.765 -3.848 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.600 -2.957 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.331 -1.790 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.294 -3.994 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.442 -2.264 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.943 -2.085 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.838 -3.828 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.000 -4.121 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.225 -2.389 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.102 -2.071 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.482 -3.237 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.156 -3.716 7.025 1.00 0.00 H new ATOM 748 N PHE A 46 6.878 -3.463 -1.088 1.00 0.00 N ATOM 749 CA PHE A 46 6.496 -3.026 -2.425 1.00 0.00 C ATOM 750 C PHE A 46 5.186 -3.692 -2.849 1.00 0.00 C ATOM 751 O PHE A 46 4.308 -3.056 -3.431 1.00 0.00 O ATOM 752 CB PHE A 46 7.610 -3.354 -3.426 1.00 0.00 C ATOM 753 CG PHE A 46 7.295 -2.951 -4.840 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.329 -1.618 -5.216 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.962 -3.904 -5.791 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.034 -1.242 -6.513 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.664 -3.533 -7.089 1.00 0.00 C ATOM 758 CZ PHE A 46 6.703 -2.201 -7.450 1.00 0.00 C ATOM 0 H PHE A 46 7.763 -3.968 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 46 6.346 -1.947 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.526 -2.855 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.806 -4.426 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.589 -0.864 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.935 -4.948 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.062 -0.199 -6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.401 -4.284 -7.819 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.475 -1.909 -8.464 1.00 0.00 H new ATOM 768 N LYS A 47 5.063 -4.975 -2.542 1.00 0.00 N ATOM 769 CA LYS A 47 3.872 -5.734 -2.890 1.00 0.00 C ATOM 770 C LYS A 47 2.655 -5.274 -2.092 1.00 0.00 C ATOM 771 O LYS A 47 1.570 -5.101 -2.657 1.00 0.00 O ATOM 772 CB LYS A 47 4.117 -7.234 -2.691 1.00 0.00 C ATOM 773 CG LYS A 47 4.978 -7.847 -3.784 1.00 0.00 C ATOM 774 CD LYS A 47 5.287 -9.312 -3.512 1.00 0.00 C ATOM 775 CE LYS A 47 6.379 -9.479 -2.466 1.00 0.00 C ATOM 776 NZ LYS A 47 6.780 -10.901 -2.295 1.00 0.00 N ATOM 0 H LYS A 47 5.777 -5.513 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 47 3.658 -5.551 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.598 -7.393 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.158 -7.752 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.466 -7.756 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.911 -7.289 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.382 -9.817 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.596 -9.796 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.249 -8.890 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.029 -9.085 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.577 -11.204 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.246 -11.495 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.798 -11.000 -2.483 1.00 0.00 H new ATOM 790 N GLU A 48 2.830 -5.061 -0.791 1.00 0.00 N ATOM 791 CA GLU A 48 1.710 -4.672 0.063 1.00 0.00 C ATOM 792 C GLU A 48 1.272 -3.231 -0.194 1.00 0.00 C ATOM 793 O GLU A 48 0.081 -2.933 -0.151 1.00 0.00 O ATOM 794 CB GLU A 48 2.029 -4.881 1.548 1.00 0.00 C ATOM 795 CG GLU A 48 3.198 -4.065 2.064 1.00 0.00 C ATOM 796 CD GLU A 48 3.460 -4.301 3.536 1.00 0.00 C ATOM 797 OE1 GLU A 48 3.915 -5.407 3.892 1.00 0.00 O ATOM 798 OE2 GLU A 48 3.218 -3.381 4.347 1.00 0.00 O ATOM 0 H GLU A 48 3.724 -5.149 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 48 0.878 -5.326 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.144 -4.634 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.238 -5.937 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.092 -4.315 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.000 -3.006 1.898 1.00 0.00 H new ATOM 805 N VAL A 49 2.213 -2.334 -0.475 1.00 0.00 N ATOM 806 CA VAL A 49 1.844 -0.957 -0.787 1.00 0.00 C ATOM 807 C VAL A 49 1.093 -0.904 -2.110 1.00 0.00 C ATOM 808 O VAL A 49 0.118 -0.170 -2.245 1.00 0.00 O ATOM 809 CB VAL A 49 3.056 0.012 -0.820 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.089 -0.406 -1.853 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.597 1.428 -1.104 1.00 0.00 C ATOM 0 H VAL A 49 3.214 -2.529 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 49 1.198 -0.617 0.022 1.00 0.00 H new ATOM 0 HB VAL A 49 3.525 -0.029 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.920 0.299 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.457 -1.404 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.632 -0.413 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.460 2.093 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.092 1.460 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.908 1.751 -0.324 1.00 0.00 H new ATOM 821 N ALA A 50 1.522 -1.718 -3.068 1.00 0.00 N ATOM 822 CA ALA A 50 0.880 -1.756 -4.371 1.00 0.00 C ATOM 823 C ALA A 50 -0.577 -2.192 -4.260 1.00 0.00 C ATOM 824 O ALA A 50 -1.453 -1.582 -4.865 1.00 0.00 O ATOM 825 CB ALA A 50 1.634 -2.671 -5.309 1.00 0.00 C ATOM 0 H ALA A 50 2.310 -2.358 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 50 0.897 -0.745 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.138 -2.686 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.655 -2.308 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.654 -3.679 -4.896 1.00 0.00 H new ATOM 831 N GLU A 51 -0.839 -3.229 -3.467 1.00 0.00 N ATOM 832 CA GLU A 51 -2.200 -3.734 -3.307 1.00 0.00 C ATOM 833 C GLU A 51 -3.044 -2.780 -2.469 1.00 0.00 C ATOM 834 O GLU A 51 -4.210 -2.533 -2.773 1.00 0.00 O ATOM 835 CB GLU A 51 -2.200 -5.129 -2.675 1.00 0.00 C ATOM 836 CG GLU A 51 -1.636 -5.172 -1.266 1.00 0.00 C ATOM 837 CD GLU A 51 -1.757 -6.543 -0.640 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.946 -7.430 -0.976 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.671 -6.742 0.188 1.00 0.00 O ATOM 0 H GLU A 51 -0.133 -3.732 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.641 -3.805 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.222 -5.508 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.621 -5.802 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.587 -4.877 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.159 -4.444 -0.645 1.00 0.00 H new ATOM 846 N ALA A 52 -2.439 -2.240 -1.420 1.00 0.00 N ATOM 847 CA ALA A 52 -3.145 -1.397 -0.470 1.00 0.00 C ATOM 848 C ALA A 52 -3.478 -0.036 -1.072 1.00 0.00 C ATOM 849 O ALA A 52 -4.564 0.506 -0.858 1.00 0.00 O ATOM 850 CB ALA A 52 -2.316 -1.253 0.790 1.00 0.00 C ATOM 0 H ALA A 52 -1.451 -2.374 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.093 -1.871 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.845 -0.621 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.150 -2.236 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.356 -0.798 0.544 1.00 0.00 H new ATOM 856 N TYR A 53 -2.542 0.511 -1.830 1.00 0.00 N ATOM 857 CA TYR A 53 -2.777 1.756 -2.539 1.00 0.00 C ATOM 858 C TYR A 53 -3.788 1.516 -3.658 1.00 0.00 C ATOM 859 O TYR A 53 -4.609 2.381 -3.966 1.00 0.00 O ATOM 860 CB TYR A 53 -1.447 2.328 -3.069 1.00 0.00 C ATOM 861 CG TYR A 53 -1.406 2.585 -4.562 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.816 3.804 -5.086 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.955 1.610 -5.445 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.781 4.044 -6.444 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.919 1.844 -6.805 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.333 3.062 -7.298 1.00 0.00 C ATOM 867 OH TYR A 53 -1.303 3.298 -8.653 1.00 0.00 O ATOM 0 H TYR A 53 -1.614 0.112 -1.970 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.195 2.499 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.239 3.263 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.644 1.636 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.168 4.577 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.628 0.655 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.104 4.998 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.568 1.076 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.960 2.505 -9.116 1.00 0.00 H new ATOM 877 N GLU A 54 -3.726 0.324 -4.246 1.00 0.00 N ATOM 878 CA GLU A 54 -4.633 -0.058 -5.321 1.00 0.00 C ATOM 879 C GLU A 54 -6.083 -0.026 -4.847 1.00 0.00 C ATOM 880 O GLU A 54 -6.940 0.581 -5.492 1.00 0.00 O ATOM 881 CB GLU A 54 -4.292 -1.461 -5.826 1.00 0.00 C ATOM 882 CG GLU A 54 -5.148 -1.929 -6.993 1.00 0.00 C ATOM 883 CD GLU A 54 -4.903 -3.383 -7.345 1.00 0.00 C ATOM 884 OE1 GLU A 54 -3.821 -3.696 -7.885 1.00 0.00 O ATOM 885 OE2 GLU A 54 -5.794 -4.218 -7.085 1.00 0.00 O ATOM 0 H GLU A 54 -3.051 -0.398 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.514 0.659 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.245 -1.482 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.402 -2.168 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.201 -1.791 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.940 -1.307 -7.864 1.00 0.00 H new ATOM 892 N VAL A 55 -6.354 -0.670 -3.714 1.00 0.00 N ATOM 893 CA VAL A 55 -7.714 -0.736 -3.197 1.00 0.00 C ATOM 894 C VAL A 55 -8.211 0.622 -2.735 1.00 0.00 C ATOM 895 O VAL A 55 -9.349 0.969 -2.987 1.00 0.00 O ATOM 896 CB VAL A 55 -7.886 -1.758 -2.046 1.00 0.00 C ATOM 897 CG1 VAL A 55 -7.958 -3.172 -2.592 1.00 0.00 C ATOM 898 CG2 VAL A 55 -6.770 -1.637 -1.022 1.00 0.00 C ATOM 0 H VAL A 55 -5.657 -1.148 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.316 -1.077 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.825 -1.532 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.079 -3.875 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.808 -3.258 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.039 -3.401 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.923 -2.369 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.811 -1.821 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.775 -0.634 -0.596 1.00 0.00 H new ATOM 908 N LEU A 56 -7.369 1.402 -2.072 1.00 0.00 N ATOM 909 CA LEU A 56 -7.824 2.676 -1.528 1.00 0.00 C ATOM 910 C LEU A 56 -8.039 3.721 -2.619 1.00 0.00 C ATOM 911 O LEU A 56 -8.890 4.605 -2.480 1.00 0.00 O ATOM 912 CB LEU A 56 -6.852 3.220 -0.484 1.00 0.00 C ATOM 913 CG LEU A 56 -7.343 4.484 0.232 1.00 0.00 C ATOM 914 CD1 LEU A 56 -8.508 4.160 1.154 1.00 0.00 C ATOM 915 CD2 LEU A 56 -6.222 5.140 1.006 1.00 0.00 C ATOM 0 H LEU A 56 -6.388 1.183 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.782 2.477 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.663 2.445 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.900 3.437 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.687 5.187 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.842 5.070 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.329 3.744 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.189 3.433 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.598 6.034 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.838 4.444 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.420 5.416 0.321 1.00 0.00 H new ATOM 927 N SER A 57 -7.294 3.614 -3.709 1.00 0.00 N ATOM 928 CA SER A 57 -7.391 4.594 -4.779 1.00 0.00 C ATOM 929 C SER A 57 -8.635 4.333 -5.622 1.00 0.00 C ATOM 930 O SER A 57 -9.154 5.238 -6.277 1.00 0.00 O ATOM 931 CB SER A 57 -6.131 4.554 -5.656 1.00 0.00 C ATOM 932 OG SER A 57 -6.175 5.541 -6.675 1.00 0.00 O ATOM 0 H SER A 57 -6.621 2.865 -3.875 1.00 0.00 H new ATOM 0 HA SER A 57 -7.473 5.587 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.249 4.710 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.032 3.567 -6.108 1.00 0.00 H new ATOM 0 HG SER A 57 -5.359 5.491 -7.215 1.00 0.00 H new ATOM 938 N ASP A 58 -9.126 3.105 -5.587 1.00 0.00 N ATOM 939 CA ASP A 58 -10.310 2.746 -6.353 1.00 0.00 C ATOM 940 C ASP A 58 -11.462 2.444 -5.407 1.00 0.00 C ATOM 941 O ASP A 58 -11.380 1.546 -4.576 1.00 0.00 O ATOM 942 CB ASP A 58 -10.027 1.547 -7.253 1.00 0.00 C ATOM 943 CG ASP A 58 -11.115 1.329 -8.284 1.00 0.00 C ATOM 944 OD1 ASP A 58 -12.209 0.846 -7.919 1.00 0.00 O ATOM 945 OD2 ASP A 58 -10.876 1.631 -9.473 1.00 0.00 O ATOM 0 H ASP A 58 -8.726 2.343 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.585 3.587 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.074 1.694 -7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.927 0.651 -6.640 1.00 0.00 H new ATOM 950 N LYS A 59 -12.544 3.183 -5.565 1.00 0.00 N ATOM 951 CA LYS A 59 -13.641 3.158 -4.610 1.00 0.00 C ATOM 952 C LYS A 59 -14.334 1.804 -4.611 1.00 0.00 C ATOM 953 O LYS A 59 -14.787 1.325 -3.570 1.00 0.00 O ATOM 954 CB LYS A 59 -14.652 4.266 -4.920 1.00 0.00 C ATOM 955 CG LYS A 59 -14.030 5.651 -5.038 1.00 0.00 C ATOM 956 CD LYS A 59 -13.707 6.008 -6.485 1.00 0.00 C ATOM 957 CE LYS A 59 -12.923 7.307 -6.578 1.00 0.00 C ATOM 958 NZ LYS A 59 -11.561 7.189 -5.990 1.00 0.00 N ATOM 0 H LYS A 59 -12.689 3.814 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.224 3.331 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.164 4.027 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.409 4.284 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.714 6.392 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.118 5.692 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.132 5.202 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.633 6.099 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.840 7.605 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.471 8.097 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.980 7.996 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.630 7.185 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.120 6.304 -6.311 1.00 0.00 H new ATOM 972 N HIS A 60 -14.409 1.191 -5.781 1.00 0.00 N ATOM 973 CA HIS A 60 -15.013 -0.129 -5.905 1.00 0.00 C ATOM 974 C HIS A 60 -14.132 -1.185 -5.242 1.00 0.00 C ATOM 975 O HIS A 60 -14.629 -2.075 -4.556 1.00 0.00 O ATOM 976 CB HIS A 60 -15.256 -0.487 -7.373 1.00 0.00 C ATOM 977 CG HIS A 60 -16.024 -1.766 -7.562 1.00 0.00 C ATOM 978 ND1 HIS A 60 -15.475 -2.899 -8.119 1.00 0.00 N ATOM 979 CD2 HIS A 60 -17.310 -2.081 -7.270 1.00 0.00 C ATOM 980 CE1 HIS A 60 -16.384 -3.853 -8.162 1.00 0.00 C ATOM 981 NE2 HIS A 60 -17.505 -3.386 -7.651 1.00 0.00 N ATOM 0 H HIS A 60 -14.061 1.583 -6.656 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.977 -0.106 -5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.800 0.327 -7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.296 -0.571 -7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -18.044 -1.428 -6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -16.235 -4.850 -8.551 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -18.376 -3.908 -7.554 1.00 0.00 H new ATOM 990 N LYS A 61 -12.823 -1.085 -5.449 1.00 0.00 N ATOM 991 CA LYS A 61 -11.884 -2.025 -4.851 1.00 0.00 C ATOM 992 C LYS A 61 -11.952 -1.995 -3.328 1.00 0.00 C ATOM 993 O LYS A 61 -11.776 -3.029 -2.681 1.00 0.00 O ATOM 994 CB LYS A 61 -10.458 -1.732 -5.309 1.00 0.00 C ATOM 995 CG LYS A 61 -10.298 -1.735 -6.816 1.00 0.00 C ATOM 996 CD LYS A 61 -9.090 -2.541 -7.253 1.00 0.00 C ATOM 997 CE LYS A 61 -9.270 -4.007 -6.914 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.281 -4.866 -7.612 1.00 0.00 N ATOM 0 H LYS A 61 -12.390 -0.364 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.169 -3.022 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.152 -0.761 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.786 -2.474 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.196 -2.148 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.199 -0.710 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.940 -2.427 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.195 -2.157 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.173 -4.144 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.278 -4.321 -7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.180 -5.766 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.607 -5.054 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.362 -4.381 -7.644 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.218 -0.820 -2.753 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.278 -0.693 -1.299 1.00 0.00 C ATOM 1014 C ARG A 62 -13.367 -1.587 -0.727 1.00 0.00 C ATOM 1015 O ARG A 62 -13.147 -2.315 0.241 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.572 0.744 -0.857 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.653 1.801 -1.437 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.543 3.002 -0.509 1.00 0.00 C ATOM 1019 NE ARG A 62 -12.846 3.446 -0.013 1.00 0.00 N ATOM 1020 CZ ARG A 62 -13.263 3.270 1.244 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -12.494 2.629 2.120 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -14.447 3.731 1.625 1.00 0.00 N ATOM 0 H ARG A 62 -12.393 0.045 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.298 -0.990 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.598 0.988 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.513 0.792 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.664 1.375 -1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.030 2.122 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.903 2.747 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.060 3.823 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.473 3.918 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.583 2.270 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.815 2.496 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.042 4.222 0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.762 3.595 2.585 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.540 -1.540 -1.342 1.00 0.00 N ATOM 1037 CA GLU A 63 -15.673 -2.295 -0.846 1.00 0.00 C ATOM 1038 C GLU A 63 -15.479 -3.782 -1.103 1.00 0.00 C ATOM 1039 O GLU A 63 -15.960 -4.610 -0.335 1.00 0.00 O ATOM 1040 CB GLU A 63 -16.984 -1.793 -1.450 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.117 -2.029 -2.940 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.448 -1.567 -3.473 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.470 -2.200 -3.150 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.481 -0.567 -4.214 1.00 0.00 O ATOM 0 H GLU A 63 -14.728 -0.990 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.734 -2.143 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.815 -2.282 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.075 -0.725 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.317 -1.504 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.992 -3.091 -3.150 1.00 0.00 H new ATOM 1051 N ILE A 64 -14.763 -4.118 -2.176 1.00 0.00 N ATOM 1052 CA ILE A 64 -14.443 -5.509 -2.467 1.00 0.00 C ATOM 1053 C ILE A 64 -13.566 -6.065 -1.354 1.00 0.00 C ATOM 1054 O ILE A 64 -13.726 -7.205 -0.923 1.00 0.00 O ATOM 1055 CB ILE A 64 -13.710 -5.663 -3.822 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -14.585 -5.157 -4.975 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -13.313 -7.117 -4.059 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -15.877 -5.926 -5.145 1.00 0.00 C ATOM 0 H ILE A 64 -14.397 -3.448 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.380 -6.062 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.804 -5.058 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.818 -4.106 -4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.015 -5.213 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.799 -7.202 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.649 -7.448 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.207 -7.741 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.441 -5.510 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -15.653 -6.974 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -16.469 -5.849 -4.233 1.00 0.00 H new ATOM 1070 N TYR A 65 -12.666 -5.226 -0.864 1.00 0.00 N ATOM 1071 CA TYR A 65 -11.785 -5.600 0.225 1.00 0.00 C ATOM 1072 C TYR A 65 -12.593 -5.843 1.501 1.00 0.00 C ATOM 1073 O TYR A 65 -12.320 -6.781 2.249 1.00 0.00 O ATOM 1074 CB TYR A 65 -10.742 -4.507 0.443 1.00 0.00 C ATOM 1075 CG TYR A 65 -9.557 -4.932 1.287 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -8.521 -5.673 0.731 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -9.464 -4.579 2.628 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -7.426 -6.050 1.486 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -8.372 -4.956 3.391 1.00 0.00 C ATOM 1080 CZ TYR A 65 -7.355 -5.691 2.814 1.00 0.00 C ATOM 1081 OH TYR A 65 -6.261 -6.061 3.566 1.00 0.00 O ATOM 0 H TYR A 65 -12.528 -4.276 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.271 -6.526 -0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.379 -4.169 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.223 -3.652 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.572 -5.959 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.256 -4.002 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.629 -6.624 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.316 -4.677 4.433 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.366 -5.728 4.482 1.00 0.00 H new ATOM 1091 N ASP A 66 -13.600 -5.002 1.736 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.450 -5.139 2.919 1.00 0.00 C ATOM 1093 C ASP A 66 -15.398 -6.336 2.806 1.00 0.00 C ATOM 1094 O ASP A 66 -15.532 -7.116 3.751 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.270 -3.864 3.166 1.00 0.00 C ATOM 1096 CG ASP A 66 -14.474 -2.750 3.825 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -13.786 -3.016 4.836 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -14.562 -1.591 3.357 1.00 0.00 O ATOM 0 H ASP A 66 -13.847 -4.222 1.126 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.781 -5.305 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.664 -3.505 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.127 -4.108 3.794 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.050 -6.494 1.652 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.032 -7.564 1.477 1.00 0.00 C ATOM 1105 C ARG A 67 -16.357 -8.931 1.393 1.00 0.00 C ATOM 1106 O ARG A 67 -16.804 -9.886 2.019 1.00 0.00 O ATOM 1107 CB ARG A 67 -17.878 -7.314 0.224 1.00 0.00 C ATOM 1108 CG ARG A 67 -17.086 -7.380 -1.070 1.00 0.00 C ATOM 1109 CD ARG A 67 -17.717 -6.532 -2.152 1.00 0.00 C ATOM 1110 NE ARG A 67 -18.949 -7.114 -2.682 1.00 0.00 N ATOM 1111 CZ ARG A 67 -19.875 -6.424 -3.342 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -19.755 -5.110 -3.482 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -20.929 -7.048 -3.848 1.00 0.00 N ATOM 0 H ARG A 67 -15.917 -5.901 0.833 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.683 -7.563 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.681 -8.050 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.347 -6.333 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.065 -7.042 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.024 -8.415 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.932 -5.541 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.004 -6.400 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.108 -8.111 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.951 -4.626 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.467 -4.584 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.029 -8.056 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.640 -6.520 -4.354 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.245 -9.006 0.672 1.00 0.00 N ATOM 1128 CA TYR A 68 -14.591 -10.280 0.423 1.00 0.00 C ATOM 1129 C TYR A 68 -13.546 -10.538 1.492 1.00 0.00 C ATOM 1130 O TYR A 68 -12.860 -11.558 1.487 1.00 0.00 O ATOM 1131 CB TYR A 68 -13.965 -10.293 -0.973 1.00 0.00 C ATOM 1132 CG TYR A 68 -14.437 -11.448 -1.828 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -15.654 -11.387 -2.496 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -13.672 -12.597 -1.963 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -16.093 -12.442 -3.273 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -14.106 -13.656 -2.737 1.00 0.00 C ATOM 1137 CZ TYR A 68 -15.315 -13.572 -3.391 1.00 0.00 C ATOM 1138 OH TYR A 68 -15.751 -14.628 -4.161 1.00 0.00 O ATOM 0 H TYR A 68 -14.780 -8.201 0.252 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.332 -11.078 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -14.200 -9.356 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.880 -10.340 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.266 -10.502 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.721 -12.665 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.042 -12.381 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -13.500 -14.545 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.084 -15.346 -4.139 1.00 0.00 H new ATOM 1148 N GLY A 69 -13.429 -9.587 2.403 1.00 0.00 N ATOM 1149 CA GLY A 69 -12.702 -9.821 3.622 1.00 0.00 C ATOM 1150 C GLY A 69 -13.537 -10.649 4.562 1.00 0.00 C ATOM 1151 O GLY A 69 -13.082 -11.649 5.120 1.00 0.00 O ATOM 0 H GLY A 69 -13.829 -8.653 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.765 -10.334 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.444 -8.871 4.091 1.00 0.00 H new ATOM 1155 N ARG A 70 -14.775 -10.214 4.721 1.00 0.00 N ATOM 1156 CA ARG A 70 -15.764 -10.932 5.514 1.00 0.00 C ATOM 1157 C ARG A 70 -16.116 -12.276 4.888 1.00 0.00 C ATOM 1158 O ARG A 70 -16.196 -13.285 5.587 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.026 -10.085 5.664 1.00 0.00 C ATOM 1160 CG ARG A 70 -16.807 -8.828 6.483 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.400 -9.164 7.907 1.00 0.00 C ATOM 1162 NE ARG A 70 -17.375 -10.036 8.561 1.00 0.00 N ATOM 1163 CZ ARG A 70 -17.179 -10.634 9.734 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -16.044 -10.458 10.399 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -18.124 -11.409 10.245 1.00 0.00 N ATOM 0 H ARG A 70 -15.126 -9.352 4.304 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.330 -11.122 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.389 -9.808 4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.805 -10.686 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.035 -8.217 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -17.721 -8.234 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.425 -9.650 7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.293 -8.244 8.481 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.264 -10.197 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.313 -9.861 10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.902 -10.920 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.999 -11.546 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.976 -11.868 11.144 1.00 0.00 H new ATOM 1179 N GLU A 71 -16.344 -12.282 3.578 1.00 0.00 N ATOM 1180 CA GLU A 71 -16.671 -13.509 2.864 1.00 0.00 C ATOM 1181 C GLU A 71 -15.466 -14.440 2.800 1.00 0.00 C ATOM 1182 O GLU A 71 -15.490 -15.492 3.469 1.00 0.00 O ATOM 1183 CB GLU A 71 -17.174 -13.199 1.453 1.00 0.00 C ATOM 1184 CG GLU A 71 -18.495 -12.447 1.428 1.00 0.00 C ATOM 1185 CD GLU A 71 -19.017 -12.240 0.024 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -19.439 -13.232 -0.606 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -19.029 -11.087 -0.453 1.00 0.00 O ATOM 0 H GLU A 71 -16.308 -11.449 2.990 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.466 -14.012 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.421 -12.610 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.287 -14.133 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.234 -12.998 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.367 -11.478 1.911 1.00 0.00 H new TER 1194 GLU A 71