USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -17:sc= 0.686 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.46 K(o=1.1,f=-0.018) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.52 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -154:sc= 1.86 (180deg=1.24) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.392 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 162:sc= 0.956 (180deg=0.381) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.24 (180deg=1.16) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 1.01 (180deg=0.639) USER MOD Single : A 13 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 3.1 (180deg=2.8) USER MOD Single : A 16 SER OG : rot 180:sc= 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -160:sc= 0 USER MOD Single : A 35 MET CE :methyl -169:sc= -0.388 (180deg=-0.928) USER MOD Single : A 38 MET CE :methyl 157:sc= -1.2 (180deg=-2.95!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 170:sc= 0.736 USER MOD Single : A 43 MET CE :methyl 131:sc=-0.00341 (180deg=-1.03) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 1.59 (180deg=1.59) USER MOD Single : A 50 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.41) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc=-0.000881 K(o=-0.00088,f=-0.64) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 82 GLN : amide:sc= 1.02 K(o=1,f=-0.31) USER MOD Single : A 83 GLN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.941) USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= 1.28 (180deg=0.792) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 88:sc= 1.25 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= 1.2 K(o=1.2,f=-0.46) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= 1.28 (180deg=0.873) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.926 6.527 19.643 1.00 0.00 N ATOM 2 CA MET A 1 3.155 5.881 20.734 1.00 0.00 C ATOM 3 C MET A 1 1.861 5.269 20.194 1.00 0.00 C ATOM 4 O MET A 1 1.351 5.703 19.160 1.00 0.00 O ATOM 5 CB MET A 1 2.844 6.857 21.889 1.00 0.00 C ATOM 6 CG MET A 1 4.095 7.377 22.610 1.00 0.00 C ATOM 7 SD MET A 1 5.179 6.084 23.284 1.00 0.00 S ATOM 8 CE MET A 1 6.452 7.126 24.050 1.00 0.00 C ATOM 0 H1 MET A 1 4.877 6.770 19.987 1.00 0.00 H new ATOM 0 H2 MET A 1 4.005 5.872 18.839 1.00 0.00 H new ATOM 0 H3 MET A 1 3.437 7.392 19.337 1.00 0.00 H new ATOM 0 HA MET A 1 3.783 5.087 21.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.283 7.705 21.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.200 6.357 22.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.671 7.988 21.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.782 8.030 23.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.207 6.494 24.517 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.920 7.748 23.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.994 7.763 24.807 1.00 0.00 H new ATOM 20 N ALA A 2 1.305 4.281 20.910 1.00 0.00 N ATOM 21 CA ALA A 2 0.060 3.570 20.570 1.00 0.00 C ATOM 22 C ALA A 2 0.048 2.897 19.172 1.00 0.00 C ATOM 23 O ALA A 2 -0.986 2.837 18.499 1.00 0.00 O ATOM 24 CB ALA A 2 -1.148 4.474 20.869 1.00 0.00 C ATOM 0 H ALA A 2 1.725 3.941 21.775 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.011 2.699 21.221 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.068 3.947 20.617 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.156 4.732 21.928 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.077 5.385 20.274 1.00 0.00 H new ATOM 30 N GLU A 3 1.198 2.378 18.729 1.00 0.00 N ATOM 31 CA GLU A 3 1.350 1.580 17.502 1.00 0.00 C ATOM 32 C GLU A 3 0.505 0.284 17.525 1.00 0.00 C ATOM 33 O GLU A 3 0.221 -0.275 18.590 1.00 0.00 O ATOM 34 CB GLU A 3 2.833 1.213 17.287 1.00 0.00 C ATOM 35 CG GLU A 3 3.749 2.382 16.883 1.00 0.00 C ATOM 36 CD GLU A 3 4.010 3.432 17.982 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.917 3.129 19.196 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.321 4.597 17.638 1.00 0.00 O ATOM 0 H GLU A 3 2.078 2.504 19.229 1.00 0.00 H new ATOM 0 HA GLU A 3 0.989 2.198 16.680 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.218 0.773 18.207 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.892 0.444 16.517 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.707 1.975 16.559 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.309 2.885 16.022 1.00 0.00 H new ATOM 45 N SER A 4 0.136 -0.218 16.340 1.00 0.00 N ATOM 46 CA SER A 4 -0.616 -1.470 16.150 1.00 0.00 C ATOM 47 C SER A 4 -0.139 -2.249 14.917 1.00 0.00 C ATOM 48 O SER A 4 0.289 -1.660 13.921 1.00 0.00 O ATOM 49 CB SER A 4 -2.116 -1.172 16.039 1.00 0.00 C ATOM 50 OG SER A 4 -2.858 -2.374 15.888 1.00 0.00 O ATOM 0 H SER A 4 0.358 0.247 15.460 1.00 0.00 H new ATOM 0 HA SER A 4 -0.433 -2.097 17.023 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.453 -0.640 16.929 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.299 -0.516 15.188 1.00 0.00 H new ATOM 0 HG SER A 4 -3.813 -2.163 15.821 1.00 0.00 H new ATOM 56 N SER A 5 -0.243 -3.580 14.989 1.00 0.00 N ATOM 57 CA SER A 5 0.036 -4.530 13.894 1.00 0.00 C ATOM 58 C SER A 5 -1.080 -5.557 13.699 1.00 0.00 C ATOM 59 O SER A 5 -0.897 -6.568 13.014 1.00 0.00 O ATOM 60 CB SER A 5 1.396 -5.224 14.081 1.00 0.00 C ATOM 61 OG SER A 5 2.453 -4.290 14.237 1.00 0.00 O ATOM 0 H SER A 5 -0.536 -4.050 15.846 1.00 0.00 H new ATOM 0 HA SER A 5 0.079 -3.936 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.354 -5.873 14.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.599 -5.861 13.220 1.00 0.00 H new ATOM 0 HG SER A 5 3.299 -4.770 14.355 1.00 0.00 H new ATOM 67 N ASP A 6 -2.267 -5.285 14.247 1.00 0.00 N ATOM 68 CA ASP A 6 -3.465 -6.110 14.070 1.00 0.00 C ATOM 69 C ASP A 6 -4.207 -5.774 12.759 1.00 0.00 C ATOM 70 O ASP A 6 -5.426 -5.581 12.730 1.00 0.00 O ATOM 71 CB ASP A 6 -4.341 -6.053 15.333 1.00 0.00 C ATOM 72 CG ASP A 6 -3.650 -6.712 16.539 1.00 0.00 C ATOM 73 OD1 ASP A 6 -3.560 -7.964 16.571 1.00 0.00 O ATOM 74 OD2 ASP A 6 -3.209 -5.991 17.467 1.00 0.00 O ATOM 0 H ASP A 6 -2.425 -4.469 14.838 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.168 -7.152 13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.571 -5.014 15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.290 -6.553 15.140 1.00 0.00 H new ATOM 79 N LYS A 7 -3.435 -5.667 11.669 1.00 0.00 N ATOM 80 CA LYS A 7 -3.823 -5.293 10.312 1.00 0.00 C ATOM 81 C LYS A 7 -3.313 -6.351 9.339 1.00 0.00 C ATOM 82 O LYS A 7 -2.545 -7.241 9.719 1.00 0.00 O ATOM 83 CB LYS A 7 -3.227 -3.903 9.993 1.00 0.00 C ATOM 84 CG LYS A 7 -3.595 -2.805 11.005 1.00 0.00 C ATOM 85 CD LYS A 7 -5.096 -2.504 11.034 1.00 0.00 C ATOM 86 CE LYS A 7 -5.394 -1.570 12.207 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.854 -1.324 12.320 1.00 0.00 N ATOM 0 H LYS A 7 -2.435 -5.858 11.725 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.908 -5.237 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.141 -3.989 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.564 -3.595 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.271 -3.111 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.051 -1.893 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.405 -2.042 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.664 -3.429 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.021 -2.009 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.870 -0.624 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.017 -0.431 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.270 -1.263 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.298 -2.106 12.843 1.00 0.00 H new ATOM 101 N LEU A 8 -3.688 -6.218 8.076 1.00 0.00 N ATOM 102 CA LEU A 8 -3.162 -7.013 6.963 1.00 0.00 C ATOM 103 C LEU A 8 -2.345 -6.172 5.987 1.00 0.00 C ATOM 104 O LEU A 8 -1.528 -6.717 5.248 1.00 0.00 O ATOM 105 CB LEU A 8 -4.354 -7.614 6.205 1.00 0.00 C ATOM 106 CG LEU A 8 -5.290 -8.522 7.014 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.520 -8.809 6.156 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.597 -9.826 7.400 1.00 0.00 C ATOM 0 H LEU A 8 -4.387 -5.536 7.782 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.506 -7.781 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.944 -6.796 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.969 -8.186 5.361 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.576 -8.023 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.205 -9.454 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.020 -7.872 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.214 -9.306 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.285 -10.448 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.292 -10.357 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.718 -9.605 8.006 1.00 0.00 H new ATOM 120 N TYR A 9 -2.567 -4.858 5.978 1.00 0.00 N ATOM 121 CA TYR A 9 -2.198 -3.977 4.882 1.00 0.00 C ATOM 122 C TYR A 9 -1.694 -2.629 5.415 1.00 0.00 C ATOM 123 O TYR A 9 -2.025 -2.207 6.525 1.00 0.00 O ATOM 124 CB TYR A 9 -3.423 -3.787 3.966 1.00 0.00 C ATOM 125 CG TYR A 9 -4.138 -5.044 3.499 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.427 -6.060 2.838 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.519 -5.197 3.732 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.078 -7.239 2.430 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.175 -6.380 3.340 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.457 -7.406 2.688 1.00 0.00 C ATOM 131 OH TYR A 9 -6.098 -8.547 2.317 1.00 0.00 O ATOM 0 H TYR A 9 -3.019 -4.370 6.752 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.385 -4.424 4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.145 -3.162 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.103 -3.232 3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.372 -5.935 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.076 -4.406 4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.525 -8.014 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.229 -6.503 3.539 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.555 -9.027 1.657 1.00 0.00 H new ATOM 141 N ARG A 10 -0.901 -1.938 4.599 1.00 0.00 N ATOM 142 CA ARG A 10 -0.298 -0.626 4.868 1.00 0.00 C ATOM 143 C ARG A 10 -0.304 0.200 3.578 1.00 0.00 C ATOM 144 O ARG A 10 -0.161 -0.368 2.499 1.00 0.00 O ATOM 145 CB ARG A 10 1.120 -0.852 5.440 1.00 0.00 C ATOM 146 CG ARG A 10 2.096 0.343 5.484 1.00 0.00 C ATOM 147 CD ARG A 10 1.684 1.409 6.509 1.00 0.00 C ATOM 148 NE ARG A 10 2.573 2.590 6.530 1.00 0.00 N ATOM 149 CZ ARG A 10 2.381 3.677 7.264 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.472 3.776 8.184 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.095 4.748 7.113 1.00 0.00 N ATOM 0 H ARG A 10 -0.645 -2.296 3.679 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.866 -0.061 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.011 -1.228 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.591 -1.643 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.096 -0.019 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.151 0.798 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.667 1.735 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.669 0.959 7.502 1.00 0.00 H new ATOM 0 HE ARG A 10 3.399 2.567 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.854 2.988 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.376 4.642 8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.834 4.773 6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.918 5.566 7.697 1.00 0.00 H new ATOM 165 N VAL A 11 -0.457 1.514 3.676 1.00 0.00 N ATOM 166 CA VAL A 11 -0.284 2.493 2.592 1.00 0.00 C ATOM 167 C VAL A 11 0.350 3.772 3.136 1.00 0.00 C ATOM 168 O VAL A 11 0.090 4.154 4.276 1.00 0.00 O ATOM 169 CB VAL A 11 -1.630 2.763 1.891 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.585 3.651 2.694 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.446 3.444 0.528 1.00 0.00 C ATOM 0 H VAL A 11 -0.719 1.957 4.557 1.00 0.00 H new ATOM 0 HA VAL A 11 0.393 2.085 1.841 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.063 1.768 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.508 3.793 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.810 3.174 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.117 4.619 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.421 3.614 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.937 4.398 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.849 2.804 -0.121 1.00 0.00 H new ATOM 181 N GLU A 12 1.190 4.440 2.349 1.00 0.00 N ATOM 182 CA GLU A 12 1.742 5.750 2.708 1.00 0.00 C ATOM 183 C GLU A 12 2.212 6.579 1.507 1.00 0.00 C ATOM 184 O GLU A 12 2.577 6.042 0.457 1.00 0.00 O ATOM 185 CB GLU A 12 2.903 5.597 3.706 1.00 0.00 C ATOM 186 CG GLU A 12 4.174 4.923 3.158 1.00 0.00 C ATOM 187 CD GLU A 12 5.357 5.008 4.139 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.141 5.280 5.343 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.512 4.837 3.690 1.00 0.00 O ATOM 0 H GLU A 12 1.509 4.092 1.445 1.00 0.00 H new ATOM 0 HA GLU A 12 0.917 6.295 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.171 6.586 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.549 5.021 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.961 3.876 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.453 5.394 2.216 1.00 0.00 H new ATOM 196 N TYR A 13 2.324 7.891 1.729 1.00 0.00 N ATOM 197 CA TYR A 13 3.345 8.702 1.064 1.00 0.00 C ATOM 198 C TYR A 13 4.725 8.305 1.616 1.00 0.00 C ATOM 199 O TYR A 13 4.947 8.294 2.831 1.00 0.00 O ATOM 200 CB TYR A 13 3.058 10.198 1.269 1.00 0.00 C ATOM 201 CG TYR A 13 2.176 10.832 0.204 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.925 10.274 -0.135 1.00 0.00 C ATOM 203 CD2 TYR A 13 2.624 11.990 -0.462 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.135 10.858 -1.146 1.00 0.00 C ATOM 205 CE2 TYR A 13 1.836 12.582 -1.466 1.00 0.00 C ATOM 206 CZ TYR A 13 0.594 12.016 -1.818 1.00 0.00 C ATOM 207 OH TYR A 13 -0.135 12.595 -2.809 1.00 0.00 O ATOM 0 H TYR A 13 1.720 8.413 2.364 1.00 0.00 H new ATOM 0 HA TYR A 13 3.331 8.519 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.583 10.332 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.006 10.734 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.571 9.395 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.577 12.425 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.818 10.423 -1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.184 13.473 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.830 11.973 -3.110 1.00 0.00 H new ATOM 217 N ALA A 14 5.638 7.940 0.719 1.00 0.00 N ATOM 218 CA ALA A 14 6.921 7.316 1.023 1.00 0.00 C ATOM 219 C ALA A 14 7.912 8.275 1.712 1.00 0.00 C ATOM 220 O ALA A 14 8.217 9.349 1.186 1.00 0.00 O ATOM 221 CB ALA A 14 7.473 6.765 -0.296 1.00 0.00 C ATOM 0 H ALA A 14 5.497 8.077 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 14 6.777 6.513 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.436 6.287 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.776 6.034 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.600 7.582 -1.007 1.00 0.00 H new ATOM 227 N LYS A 15 8.445 7.864 2.872 1.00 0.00 N ATOM 228 CA LYS A 15 9.304 8.701 3.739 1.00 0.00 C ATOM 229 C LYS A 15 10.759 8.804 3.261 1.00 0.00 C ATOM 230 O LYS A 15 11.375 9.865 3.359 1.00 0.00 O ATOM 231 CB LYS A 15 9.274 8.156 5.182 1.00 0.00 C ATOM 232 CG LYS A 15 7.871 7.959 5.779 1.00 0.00 C ATOM 233 CD LYS A 15 7.014 9.232 5.727 1.00 0.00 C ATOM 234 CE LYS A 15 5.660 9.030 6.410 1.00 0.00 C ATOM 235 NZ LYS A 15 4.819 8.040 5.697 1.00 0.00 N ATOM 0 H LYS A 15 8.292 6.927 3.245 1.00 0.00 H new ATOM 0 HA LYS A 15 8.892 9.709 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.798 7.200 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.831 8.839 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.361 7.162 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.965 7.633 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.547 10.050 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.858 9.524 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.818 8.699 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.134 9.983 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.847 8.081 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.813 8.258 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.205 7.086 5.845 1.00 0.00 H new ATOM 249 N SER A 16 11.306 7.691 2.771 1.00 0.00 N ATOM 250 CA SER A 16 12.702 7.518 2.344 1.00 0.00 C ATOM 251 C SER A 16 12.816 6.332 1.377 1.00 0.00 C ATOM 252 O SER A 16 12.005 5.402 1.433 1.00 0.00 O ATOM 253 CB SER A 16 13.601 7.294 3.566 1.00 0.00 C ATOM 254 OG SER A 16 14.961 7.329 3.170 1.00 0.00 O ATOM 0 H SER A 16 10.760 6.837 2.653 1.00 0.00 H new ATOM 0 HA SER A 16 13.028 8.421 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.410 8.062 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.371 6.334 4.028 1.00 0.00 H new ATOM 0 HG SER A 16 15.533 7.187 3.953 1.00 0.00 H new ATOM 260 N GLY A 17 13.821 6.334 0.499 1.00 0.00 N ATOM 261 CA GLY A 17 14.038 5.333 -0.562 1.00 0.00 C ATOM 262 C GLY A 17 14.570 3.966 -0.095 1.00 0.00 C ATOM 263 O GLY A 17 15.263 3.288 -0.856 1.00 0.00 O ATOM 0 H GLY A 17 14.538 7.060 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.095 5.175 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.739 5.746 -1.287 1.00 0.00 H new ATOM 267 N ARG A 18 14.305 3.575 1.160 1.00 0.00 N ATOM 268 CA ARG A 18 14.817 2.346 1.802 1.00 0.00 C ATOM 269 C ARG A 18 13.967 1.095 1.538 1.00 0.00 C ATOM 270 O ARG A 18 14.472 -0.018 1.686 1.00 0.00 O ATOM 271 CB ARG A 18 14.963 2.583 3.319 1.00 0.00 C ATOM 272 CG ARG A 18 15.950 3.700 3.709 1.00 0.00 C ATOM 273 CD ARG A 18 17.386 3.492 3.202 1.00 0.00 C ATOM 274 NE ARG A 18 17.988 2.249 3.727 1.00 0.00 N ATOM 275 CZ ARG A 18 19.111 1.681 3.323 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.850 2.193 2.378 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.521 0.572 3.869 1.00 0.00 N ATOM 0 H ARG A 18 13.708 4.121 1.781 1.00 0.00 H new ATOM 0 HA ARG A 18 15.786 2.141 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.983 2.824 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.285 1.653 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.576 4.648 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.971 3.785 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.384 3.461 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.000 4.343 3.495 1.00 0.00 H new ATOM 0 HE ARG A 18 17.484 1.780 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.567 3.061 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.711 1.725 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.975 0.137 4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.388 0.138 3.553 1.00 0.00 H new ATOM 291 N ALA A 19 12.698 1.257 1.160 1.00 0.00 N ATOM 292 CA ALA A 19 11.782 0.144 0.905 1.00 0.00 C ATOM 293 C ALA A 19 12.010 -0.486 -0.484 1.00 0.00 C ATOM 294 O ALA A 19 12.124 0.221 -1.488 1.00 0.00 O ATOM 295 CB ALA A 19 10.338 0.623 1.088 1.00 0.00 C ATOM 0 H ALA A 19 12.273 2.174 1.021 1.00 0.00 H new ATOM 0 HA ALA A 19 11.983 -0.647 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.654 -0.204 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.200 0.982 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.132 1.432 0.388 1.00 0.00 H new ATOM 301 N SER A 20 12.025 -1.818 -0.540 1.00 0.00 N ATOM 302 CA SER A 20 12.187 -2.614 -1.766 1.00 0.00 C ATOM 303 C SER A 20 10.880 -3.302 -2.154 1.00 0.00 C ATOM 304 O SER A 20 10.121 -3.735 -1.280 1.00 0.00 O ATOM 305 CB SER A 20 13.332 -3.625 -1.624 1.00 0.00 C ATOM 306 OG SER A 20 13.122 -4.510 -0.531 1.00 0.00 O ATOM 0 H SER A 20 11.921 -2.396 0.294 1.00 0.00 H new ATOM 0 HA SER A 20 12.451 -1.931 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.425 -4.200 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.272 -3.092 -1.485 1.00 0.00 H new ATOM 0 HG SER A 20 13.870 -5.141 -0.472 1.00 0.00 H new ATOM 312 N CYS A 21 10.616 -3.407 -3.457 1.00 0.00 N ATOM 313 CA CYS A 21 9.382 -3.976 -3.983 1.00 0.00 C ATOM 314 C CYS A 21 9.444 -5.508 -4.024 1.00 0.00 C ATOM 315 O CYS A 21 10.341 -6.103 -4.629 1.00 0.00 O ATOM 316 CB CYS A 21 9.124 -3.352 -5.349 1.00 0.00 C ATOM 317 SG CYS A 21 7.485 -3.857 -5.979 1.00 0.00 S ATOM 0 H CYS A 21 11.262 -3.095 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 21 8.543 -3.744 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.174 -2.266 -5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.901 -3.660 -6.049 1.00 0.00 H new ATOM 322 N LYS A 22 8.477 -6.153 -3.371 1.00 0.00 N ATOM 323 CA LYS A 22 8.440 -7.612 -3.154 1.00 0.00 C ATOM 324 C LYS A 22 7.774 -8.382 -4.306 1.00 0.00 C ATOM 325 O LYS A 22 7.679 -9.610 -4.247 1.00 0.00 O ATOM 326 CB LYS A 22 7.772 -7.902 -1.796 1.00 0.00 C ATOM 327 CG LYS A 22 8.382 -7.140 -0.620 1.00 0.00 C ATOM 328 CD LYS A 22 9.692 -7.766 -0.138 1.00 0.00 C ATOM 329 CE LYS A 22 10.241 -6.993 1.062 1.00 0.00 C ATOM 330 NZ LYS A 22 10.794 -5.665 0.685 1.00 0.00 N ATOM 0 H LYS A 22 7.675 -5.670 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 22 9.467 -7.978 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.713 -7.654 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.836 -8.971 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.563 -6.106 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.669 -7.116 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.525 -8.807 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.423 -7.763 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.446 -6.856 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.021 -7.583 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.869 -5.067 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.737 -5.788 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.164 -5.210 -0.006 1.00 0.00 H new ATOM 344 N LYS A 23 7.317 -7.667 -5.344 1.00 0.00 N ATOM 345 CA LYS A 23 6.587 -8.206 -6.509 1.00 0.00 C ATOM 346 C LYS A 23 7.351 -8.049 -7.830 1.00 0.00 C ATOM 347 O LYS A 23 7.504 -9.044 -8.540 1.00 0.00 O ATOM 348 CB LYS A 23 5.186 -7.571 -6.545 1.00 0.00 C ATOM 349 CG LYS A 23 4.284 -8.003 -7.712 1.00 0.00 C ATOM 350 CD LYS A 23 4.014 -9.515 -7.741 1.00 0.00 C ATOM 351 CE LYS A 23 2.962 -9.825 -8.810 1.00 0.00 C ATOM 352 NZ LYS A 23 2.697 -11.285 -8.920 1.00 0.00 N ATOM 0 H LYS A 23 7.449 -6.657 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 23 6.487 -9.285 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.677 -7.807 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.300 -6.488 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.334 -7.472 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.749 -7.706 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.936 -10.056 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.666 -9.852 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.035 -9.305 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.300 -9.444 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.980 -11.453 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.576 -11.779 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.350 -11.645 -8.008 1.00 0.00 H new ATOM 366 N CYS A 24 7.857 -6.848 -8.142 1.00 0.00 N ATOM 367 CA CYS A 24 8.665 -6.587 -9.347 1.00 0.00 C ATOM 368 C CYS A 24 10.198 -6.555 -9.100 1.00 0.00 C ATOM 369 O CYS A 24 10.982 -6.427 -10.045 1.00 0.00 O ATOM 370 CB CYS A 24 8.096 -5.383 -10.124 1.00 0.00 C ATOM 371 SG CYS A 24 8.590 -3.754 -9.440 1.00 0.00 S ATOM 0 H CYS A 24 7.717 -6.021 -7.561 1.00 0.00 H new ATOM 0 HA CYS A 24 8.568 -7.453 -10.002 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.425 -5.445 -11.161 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.008 -5.449 -10.130 1.00 0.00 H new ATOM 376 N SER A 25 10.626 -6.753 -7.844 1.00 0.00 N ATOM 377 CA SER A 25 12.033 -6.838 -7.396 1.00 0.00 C ATOM 378 C SER A 25 12.872 -5.561 -7.598 1.00 0.00 C ATOM 379 O SER A 25 14.104 -5.606 -7.555 1.00 0.00 O ATOM 380 CB SER A 25 12.729 -8.097 -7.941 1.00 0.00 C ATOM 381 OG SER A 25 11.991 -9.270 -7.615 1.00 0.00 O ATOM 0 H SER A 25 9.970 -6.864 -7.071 1.00 0.00 H new ATOM 0 HA SER A 25 11.970 -6.931 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.835 -8.019 -9.023 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.735 -8.169 -7.527 1.00 0.00 H new ATOM 0 HG SER A 25 12.452 -10.057 -7.973 1.00 0.00 H new ATOM 387 N GLU A 26 12.221 -4.411 -7.790 1.00 0.00 N ATOM 388 CA GLU A 26 12.849 -3.083 -7.860 1.00 0.00 C ATOM 389 C GLU A 26 12.851 -2.389 -6.476 1.00 0.00 C ATOM 390 O GLU A 26 12.692 -3.033 -5.437 1.00 0.00 O ATOM 391 CB GLU A 26 12.153 -2.246 -8.958 1.00 0.00 C ATOM 392 CG GLU A 26 12.268 -2.804 -10.386 1.00 0.00 C ATOM 393 CD GLU A 26 13.631 -2.523 -11.052 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.687 -2.647 -10.389 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.643 -2.193 -12.263 1.00 0.00 O ATOM 0 H GLU A 26 11.208 -4.374 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 26 13.898 -3.187 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.096 -2.154 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.572 -1.240 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.101 -3.881 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.477 -2.373 -11.000 1.00 0.00 H new ATOM 402 N SER A 27 13.047 -1.069 -6.441 1.00 0.00 N ATOM 403 CA SER A 27 13.066 -0.246 -5.222 1.00 0.00 C ATOM 404 C SER A 27 12.079 0.917 -5.304 1.00 0.00 C ATOM 405 O SER A 27 11.707 1.352 -6.398 1.00 0.00 O ATOM 406 CB SER A 27 14.479 0.246 -4.946 1.00 0.00 C ATOM 407 OG SER A 27 14.581 0.752 -3.628 1.00 0.00 O ATOM 0 H SER A 27 13.202 -0.522 -7.288 1.00 0.00 H new ATOM 0 HA SER A 27 12.745 -0.871 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.188 -0.571 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.746 1.024 -5.662 1.00 0.00 H new ATOM 0 HG SER A 27 15.496 1.062 -3.467 1.00 0.00 H new ATOM 413 N ILE A 28 11.608 1.386 -4.149 1.00 0.00 N ATOM 414 CA ILE A 28 10.458 2.288 -4.032 1.00 0.00 C ATOM 415 C ILE A 28 10.921 3.679 -3.541 1.00 0.00 C ATOM 416 O ILE A 28 11.291 3.814 -2.368 1.00 0.00 O ATOM 417 CB ILE A 28 9.372 1.678 -3.118 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.022 0.204 -3.447 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.107 2.547 -3.253 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.270 -0.495 -2.309 1.00 0.00 C ATOM 0 H ILE A 28 12.022 1.146 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 28 10.006 2.419 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 28 9.764 1.669 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.414 0.173 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.940 -0.344 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.318 2.143 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.332 3.568 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.774 2.546 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.051 -1.524 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.886 -0.492 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.337 0.033 -2.111 1.00 0.00 H new ATOM 432 N PRO A 29 10.911 4.721 -4.398 1.00 0.00 N ATOM 433 CA PRO A 29 11.418 6.056 -4.066 1.00 0.00 C ATOM 434 C PRO A 29 10.522 6.824 -3.079 1.00 0.00 C ATOM 435 O PRO A 29 9.326 6.547 -2.948 1.00 0.00 O ATOM 436 CB PRO A 29 11.552 6.785 -5.408 1.00 0.00 C ATOM 437 CG PRO A 29 10.453 6.150 -6.257 1.00 0.00 C ATOM 438 CD PRO A 29 10.459 4.697 -5.786 1.00 0.00 C ATOM 0 HA PRO A 29 12.372 5.983 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.407 7.860 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.538 6.639 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.487 6.626 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.667 6.231 -7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.464 4.258 -5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.124 4.091 -6.402 1.00 0.00 H new ATOM 446 N LYS A 30 11.108 7.812 -2.388 1.00 0.00 N ATOM 447 CA LYS A 30 10.392 8.750 -1.502 1.00 0.00 C ATOM 448 C LYS A 30 9.497 9.743 -2.259 1.00 0.00 C ATOM 449 O LYS A 30 9.621 9.908 -3.474 1.00 0.00 O ATOM 450 CB LYS A 30 11.365 9.429 -0.532 1.00 0.00 C ATOM 451 CG LYS A 30 12.336 10.393 -1.210 1.00 0.00 C ATOM 452 CD LYS A 30 13.251 11.042 -0.169 1.00 0.00 C ATOM 453 CE LYS A 30 14.214 11.947 -0.931 1.00 0.00 C ATOM 454 NZ LYS A 30 15.135 12.678 -0.020 1.00 0.00 N ATOM 0 H LYS A 30 12.112 7.988 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 30 9.695 8.162 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.794 9.972 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.935 8.662 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.934 9.859 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.781 11.162 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.670 11.616 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.796 10.284 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.797 11.348 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.645 12.664 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.771 13.281 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.581 13.270 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.697 11.995 0.527 1.00 0.00 H new ATOM 468 N ASP A 31 8.590 10.400 -1.531 1.00 0.00 N ATOM 469 CA ASP A 31 7.591 11.351 -2.059 1.00 0.00 C ATOM 470 C ASP A 31 6.708 10.763 -3.190 1.00 0.00 C ATOM 471 O ASP A 31 6.281 11.457 -4.117 1.00 0.00 O ATOM 472 CB ASP A 31 8.268 12.696 -2.391 1.00 0.00 C ATOM 473 CG ASP A 31 7.265 13.847 -2.602 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.333 14.004 -1.776 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.441 14.639 -3.561 1.00 0.00 O ATOM 0 H ASP A 31 8.524 10.284 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 31 6.861 11.553 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.950 12.961 -1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.871 12.579 -3.291 1.00 0.00 H new ATOM 480 N SER A 32 6.449 9.454 -3.102 1.00 0.00 N ATOM 481 CA SER A 32 5.627 8.634 -4.005 1.00 0.00 C ATOM 482 C SER A 32 4.656 7.776 -3.181 1.00 0.00 C ATOM 483 O SER A 32 4.781 7.703 -1.959 1.00 0.00 O ATOM 484 CB SER A 32 6.526 7.743 -4.875 1.00 0.00 C ATOM 485 OG SER A 32 7.390 8.522 -5.686 1.00 0.00 O ATOM 0 H SER A 32 6.837 8.896 -2.341 1.00 0.00 H new ATOM 0 HA SER A 32 5.052 9.287 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.117 7.085 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.908 7.105 -5.506 1.00 0.00 H new ATOM 0 HG SER A 32 7.713 7.979 -6.436 1.00 0.00 H new ATOM 491 N LEU A 33 3.686 7.118 -3.820 1.00 0.00 N ATOM 492 CA LEU A 33 2.661 6.320 -3.140 1.00 0.00 C ATOM 493 C LEU A 33 3.071 4.838 -3.117 1.00 0.00 C ATOM 494 O LEU A 33 3.398 4.263 -4.160 1.00 0.00 O ATOM 495 CB LEU A 33 1.305 6.567 -3.829 1.00 0.00 C ATOM 496 CG LEU A 33 0.106 5.901 -3.131 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.216 6.525 -1.772 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.141 6.043 -3.999 1.00 0.00 C ATOM 0 H LEU A 33 3.588 7.124 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 33 2.561 6.622 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.128 7.641 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.361 6.203 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 33 0.384 4.858 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.070 6.013 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.647 6.427 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.454 7.581 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.987 5.570 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.357 7.100 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.971 5.561 -4.962 1.00 0.00 H new ATOM 510 N ARG A 34 3.046 4.215 -1.934 1.00 0.00 N ATOM 511 CA ARG A 34 3.453 2.816 -1.721 1.00 0.00 C ATOM 512 C ARG A 34 2.586 2.112 -0.691 1.00 0.00 C ATOM 513 O ARG A 34 1.960 2.757 0.147 1.00 0.00 O ATOM 514 CB ARG A 34 4.954 2.741 -1.397 1.00 0.00 C ATOM 515 CG ARG A 34 5.409 3.305 -0.039 1.00 0.00 C ATOM 516 CD ARG A 34 6.937 3.169 0.051 1.00 0.00 C ATOM 517 NE ARG A 34 7.488 3.705 1.307 1.00 0.00 N ATOM 518 CZ ARG A 34 8.741 4.030 1.559 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.689 3.986 0.668 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.048 4.449 2.746 1.00 0.00 N ATOM 0 H ARG A 34 2.736 4.676 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 34 3.292 2.269 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.259 1.696 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.496 3.270 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.114 4.350 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.931 2.763 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.209 2.117 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.393 3.690 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 34 6.824 3.840 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.480 3.688 -0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.641 4.250 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.327 4.522 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.011 4.706 2.963 1.00 0.00 H new ATOM 534 N MET A 35 2.549 0.788 -0.772 1.00 0.00 N ATOM 535 CA MET A 35 1.747 -0.096 0.076 1.00 0.00 C ATOM 536 C MET A 35 2.604 -1.211 0.673 1.00 0.00 C ATOM 537 O MET A 35 3.703 -1.470 0.195 1.00 0.00 O ATOM 538 CB MET A 35 0.548 -0.656 -0.708 1.00 0.00 C ATOM 539 CG MET A 35 -0.509 0.414 -0.982 1.00 0.00 C ATOM 540 SD MET A 35 -2.015 -0.115 -1.846 1.00 0.00 S ATOM 541 CE MET A 35 -2.903 -0.914 -0.477 1.00 0.00 C ATOM 0 H MET A 35 3.100 0.275 -1.460 1.00 0.00 H new ATOM 0 HA MET A 35 1.355 0.488 0.908 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.896 -1.072 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.098 -1.474 -0.146 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.802 0.852 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.044 1.207 -1.567 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.758 -1.465 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.233 -1.603 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.251 -0.155 0.223 1.00 0.00 H new ATOM 551 N ALA A 36 2.129 -1.846 1.739 1.00 0.00 N ATOM 552 CA ALA A 36 2.801 -2.967 2.392 1.00 0.00 C ATOM 553 C ALA A 36 1.800 -4.020 2.894 1.00 0.00 C ATOM 554 O ALA A 36 0.604 -3.743 2.999 1.00 0.00 O ATOM 555 CB ALA A 36 3.724 -2.444 3.508 1.00 0.00 C ATOM 0 H ALA A 36 1.247 -1.591 2.184 1.00 0.00 H new ATOM 0 HA ALA A 36 3.423 -3.479 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.222 -3.284 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.471 -1.777 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.132 -1.900 4.245 1.00 0.00 H new ATOM 561 N ILE A 37 2.290 -5.218 3.228 1.00 0.00 N ATOM 562 CA ILE A 37 1.487 -6.326 3.765 1.00 0.00 C ATOM 563 C ILE A 37 2.052 -6.822 5.089 1.00 0.00 C ATOM 564 O ILE A 37 3.264 -6.927 5.246 1.00 0.00 O ATOM 565 CB ILE A 37 1.354 -7.438 2.702 1.00 0.00 C ATOM 566 CG1 ILE A 37 0.020 -7.213 1.974 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.436 -8.870 3.247 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.093 -7.939 0.636 1.00 0.00 C ATOM 0 H ILE A 37 3.278 -5.452 3.131 1.00 0.00 H new ATOM 0 HA ILE A 37 0.480 -5.972 3.988 1.00 0.00 H new ATOM 0 HB ILE A 37 2.210 -7.360 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.794 -7.539 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.114 -6.144 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.332 -9.579 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.399 -9.019 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.635 -9.031 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.064 -7.727 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.697 -7.596 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.007 -9.013 0.795 1.00 0.00 H new ATOM 580 N MET A 38 1.171 -7.150 6.031 1.00 0.00 N ATOM 581 CA MET A 38 1.533 -7.577 7.376 1.00 0.00 C ATOM 582 C MET A 38 1.653 -9.102 7.448 1.00 0.00 C ATOM 583 O MET A 38 0.647 -9.808 7.543 1.00 0.00 O ATOM 584 CB MET A 38 0.510 -7.030 8.394 1.00 0.00 C ATOM 585 CG MET A 38 0.221 -5.520 8.342 1.00 0.00 C ATOM 586 SD MET A 38 1.304 -4.447 9.324 1.00 0.00 S ATOM 587 CE MET A 38 2.889 -4.823 8.547 1.00 0.00 C ATOM 0 H MET A 38 0.163 -7.125 5.875 1.00 0.00 H new ATOM 0 HA MET A 38 2.511 -7.168 7.630 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.431 -7.561 8.250 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.863 -7.274 9.396 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.277 -5.199 7.302 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.806 -5.359 8.671 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.582 -3.999 8.717 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.298 -5.736 8.979 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.745 -4.961 7.475 1.00 0.00 H new ATOM 597 N VAL A 39 2.890 -9.607 7.454 1.00 0.00 N ATOM 598 CA VAL A 39 3.192 -11.037 7.657 1.00 0.00 C ATOM 599 C VAL A 39 3.802 -11.284 9.036 1.00 0.00 C ATOM 600 O VAL A 39 4.609 -10.497 9.522 1.00 0.00 O ATOM 601 CB VAL A 39 4.043 -11.615 6.509 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.402 -10.929 6.361 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.261 -13.126 6.640 1.00 0.00 C ATOM 0 H VAL A 39 3.722 -9.033 7.317 1.00 0.00 H new ATOM 0 HA VAL A 39 2.249 -11.583 7.632 1.00 0.00 H new ATOM 0 HB VAL A 39 3.457 -11.416 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.951 -11.383 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.254 -9.868 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.971 -11.046 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.866 -13.480 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.775 -13.340 7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.297 -13.635 6.631 1.00 0.00 H new ATOM 613 N GLN A 40 3.404 -12.377 9.682 1.00 0.00 N ATOM 614 CA GLN A 40 3.921 -12.799 10.990 1.00 0.00 C ATOM 615 C GLN A 40 5.396 -13.228 10.892 1.00 0.00 C ATOM 616 O GLN A 40 5.760 -14.059 10.057 1.00 0.00 O ATOM 617 CB GLN A 40 3.020 -13.894 11.593 1.00 0.00 C ATOM 618 CG GLN A 40 2.549 -14.961 10.584 1.00 0.00 C ATOM 619 CD GLN A 40 1.861 -16.135 11.278 1.00 0.00 C ATOM 620 OE1 GLN A 40 2.445 -17.186 11.516 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.601 -16.009 11.645 1.00 0.00 N ATOM 0 H GLN A 40 2.698 -13.010 9.307 1.00 0.00 H new ATOM 0 HA GLN A 40 3.895 -11.949 11.672 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.561 -14.389 12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.144 -13.422 12.039 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.861 -14.507 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.404 -15.326 10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.099 -15.142 11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.128 -16.779 12.119 1.00 0.00 H new ATOM 630 N SER A 41 6.251 -12.654 11.744 1.00 0.00 N ATOM 631 CA SER A 41 7.702 -12.862 11.720 1.00 0.00 C ATOM 632 C SER A 41 8.169 -13.931 12.709 1.00 0.00 C ATOM 633 O SER A 41 7.687 -13.970 13.847 1.00 0.00 O ATOM 634 CB SER A 41 8.420 -11.542 11.990 1.00 0.00 C ATOM 635 OG SER A 41 9.827 -11.721 11.941 1.00 0.00 O ATOM 0 H SER A 41 5.948 -12.020 12.483 1.00 0.00 H new ATOM 0 HA SER A 41 7.956 -13.226 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.116 -10.799 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.130 -11.157 12.968 1.00 0.00 H new ATOM 0 HG SER A 41 10.269 -10.846 11.955 1.00 0.00 H new ATOM 641 N PRO A 42 9.149 -14.770 12.320 1.00 0.00 N ATOM 642 CA PRO A 42 9.855 -15.648 13.239 1.00 0.00 C ATOM 643 C PRO A 42 10.995 -14.931 13.995 1.00 0.00 C ATOM 644 O PRO A 42 11.522 -15.482 14.965 1.00 0.00 O ATOM 645 CB PRO A 42 10.367 -16.790 12.356 1.00 0.00 C ATOM 646 CG PRO A 42 10.676 -16.083 11.037 1.00 0.00 C ATOM 647 CD PRO A 42 9.598 -15.000 10.955 1.00 0.00 C ATOM 0 HA PRO A 42 9.204 -16.006 14.037 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.253 -17.263 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.618 -17.572 12.230 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.678 -15.654 11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.622 -16.769 10.191 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.998 -14.085 10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.771 -15.321 10.322 1.00 0.00 H new ATOM 655 N MET A 43 11.386 -13.719 13.569 1.00 0.00 N ATOM 656 CA MET A 43 12.474 -12.922 14.165 1.00 0.00 C ATOM 657 C MET A 43 11.969 -11.794 15.083 1.00 0.00 C ATOM 658 O MET A 43 12.602 -11.492 16.097 1.00 0.00 O ATOM 659 CB MET A 43 13.356 -12.328 13.061 1.00 0.00 C ATOM 660 CG MET A 43 14.203 -13.404 12.366 1.00 0.00 C ATOM 661 SD MET A 43 14.689 -12.959 10.681 1.00 0.00 S ATOM 662 CE MET A 43 13.093 -13.290 9.890 1.00 0.00 C ATOM 0 H MET A 43 10.942 -13.252 12.778 1.00 0.00 H new ATOM 0 HA MET A 43 13.052 -13.605 14.787 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.728 -11.828 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.012 -11.569 13.488 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.099 -13.589 12.958 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.641 -14.337 12.339 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.813 -12.441 9.266 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.172 -14.184 9.272 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.333 -13.444 10.656 1.00 0.00 H new ATOM 672 N PHE A 44 10.837 -11.174 14.733 1.00 0.00 N ATOM 673 CA PHE A 44 10.202 -10.070 15.460 1.00 0.00 C ATOM 674 C PHE A 44 8.985 -10.548 16.273 1.00 0.00 C ATOM 675 O PHE A 44 8.351 -11.555 15.957 1.00 0.00 O ATOM 676 CB PHE A 44 9.858 -8.950 14.460 1.00 0.00 C ATOM 677 CG PHE A 44 9.111 -7.770 15.053 1.00 0.00 C ATOM 678 CD1 PHE A 44 9.770 -6.878 15.921 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.745 -7.581 14.764 1.00 0.00 C ATOM 680 CE1 PHE A 44 9.064 -5.809 16.501 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.042 -6.509 15.340 1.00 0.00 C ATOM 682 CZ PHE A 44 7.701 -5.624 16.212 1.00 0.00 C ATOM 0 H PHE A 44 10.315 -11.440 13.898 1.00 0.00 H new ATOM 0 HA PHE A 44 10.896 -9.668 16.198 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.783 -8.587 14.011 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.258 -9.374 13.655 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.818 -7.015 16.141 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.237 -8.262 14.098 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.570 -5.129 17.170 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.996 -6.365 15.113 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.160 -4.803 16.659 1.00 0.00 H new ATOM 692 N ASP A 45 8.640 -9.806 17.325 1.00 0.00 N ATOM 693 CA ASP A 45 7.580 -10.130 18.296 1.00 0.00 C ATOM 694 C ASP A 45 6.177 -9.685 17.818 1.00 0.00 C ATOM 695 O ASP A 45 5.421 -9.027 18.538 1.00 0.00 O ATOM 696 CB ASP A 45 7.981 -9.577 19.676 1.00 0.00 C ATOM 697 CG ASP A 45 7.066 -10.063 20.817 1.00 0.00 C ATOM 698 OD1 ASP A 45 6.694 -11.262 20.839 1.00 0.00 O ATOM 699 OD2 ASP A 45 6.758 -9.259 21.731 1.00 0.00 O ATOM 0 H ASP A 45 9.107 -8.925 17.538 1.00 0.00 H new ATOM 0 HA ASP A 45 7.489 -11.212 18.385 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.008 -9.871 19.893 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.961 -8.488 19.643 1.00 0.00 H new ATOM 704 N GLY A 46 5.845 -10.002 16.563 1.00 0.00 N ATOM 705 CA GLY A 46 4.615 -9.584 15.885 1.00 0.00 C ATOM 706 C GLY A 46 4.715 -9.698 14.364 1.00 0.00 C ATOM 707 O GLY A 46 5.387 -10.592 13.836 1.00 0.00 O ATOM 0 H GLY A 46 6.446 -10.576 15.971 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.784 -10.195 16.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.389 -8.552 16.154 1.00 0.00 H new ATOM 711 N LYS A 47 4.042 -8.787 13.652 1.00 0.00 N ATOM 712 CA LYS A 47 3.966 -8.776 12.181 1.00 0.00 C ATOM 713 C LYS A 47 4.787 -7.638 11.572 1.00 0.00 C ATOM 714 O LYS A 47 4.927 -6.572 12.170 1.00 0.00 O ATOM 715 CB LYS A 47 2.504 -8.791 11.697 1.00 0.00 C ATOM 716 CG LYS A 47 1.651 -9.848 12.433 1.00 0.00 C ATOM 717 CD LYS A 47 0.692 -10.632 11.533 1.00 0.00 C ATOM 718 CE LYS A 47 -0.279 -9.797 10.691 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.244 -9.015 11.509 1.00 0.00 N ATOM 0 H LYS A 47 3.525 -8.022 14.086 1.00 0.00 H new ATOM 0 HA LYS A 47 4.423 -9.697 11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.064 -7.805 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.481 -8.991 10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.318 -10.552 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.073 -9.351 13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.284 -11.252 10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.109 -11.308 12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.291 -9.113 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.831 -10.458 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.849 -8.447 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.835 -9.666 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.723 -8.385 12.152 1.00 0.00 H new ATOM 733 N VAL A 48 5.335 -7.884 10.384 1.00 0.00 N ATOM 734 CA VAL A 48 6.315 -7.025 9.693 1.00 0.00 C ATOM 735 C VAL A 48 5.863 -6.685 8.261 1.00 0.00 C ATOM 736 O VAL A 48 5.182 -7.507 7.639 1.00 0.00 O ATOM 737 CB VAL A 48 7.719 -7.668 9.702 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.235 -7.832 11.139 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.764 -9.039 9.010 1.00 0.00 C ATOM 0 H VAL A 48 5.104 -8.720 9.848 1.00 0.00 H new ATOM 0 HA VAL A 48 6.374 -6.086 10.243 1.00 0.00 H new ATOM 0 HB VAL A 48 8.356 -6.985 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.225 -8.287 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.293 -6.855 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.553 -8.471 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.779 -9.435 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.086 -9.725 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.459 -8.931 7.969 1.00 0.00 H new ATOM 749 N PRO A 49 6.191 -5.489 7.728 1.00 0.00 N ATOM 750 CA PRO A 49 5.681 -5.025 6.438 1.00 0.00 C ATOM 751 C PRO A 49 6.476 -5.555 5.234 1.00 0.00 C ATOM 752 O PRO A 49 7.699 -5.420 5.166 1.00 0.00 O ATOM 753 CB PRO A 49 5.729 -3.495 6.508 1.00 0.00 C ATOM 754 CG PRO A 49 6.917 -3.226 7.431 1.00 0.00 C ATOM 755 CD PRO A 49 6.868 -4.394 8.417 1.00 0.00 C ATOM 0 HA PRO A 49 4.672 -5.403 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.875 -3.051 5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.804 -3.081 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.857 -3.204 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.822 -2.266 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.873 -4.688 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.331 -4.115 9.323 1.00 0.00 H new ATOM 763 N HIS A 50 5.770 -6.094 4.235 1.00 0.00 N ATOM 764 CA HIS A 50 6.299 -6.400 2.899 1.00 0.00 C ATOM 765 C HIS A 50 5.870 -5.304 1.937 1.00 0.00 C ATOM 766 O HIS A 50 4.709 -5.282 1.553 1.00 0.00 O ATOM 767 CB HIS A 50 5.808 -7.790 2.448 1.00 0.00 C ATOM 768 CG HIS A 50 6.645 -8.920 2.991 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.963 -10.101 2.316 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.243 -8.937 4.215 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.743 -10.804 3.156 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.944 -10.119 4.296 1.00 0.00 N ATOM 0 H HIS A 50 4.785 -6.337 4.335 1.00 0.00 H new ATOM 0 HA HIS A 50 7.388 -6.431 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.775 -7.925 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.812 -7.834 1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.179 -8.172 4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.151 -11.781 2.945 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.516 -10.423 5.084 1.00 0.00 H new ATOM 780 N TRP A 51 6.768 -4.376 1.596 1.00 0.00 N ATOM 781 CA TRP A 51 6.452 -3.193 0.788 1.00 0.00 C ATOM 782 C TRP A 51 6.358 -3.508 -0.709 1.00 0.00 C ATOM 783 O TRP A 51 7.057 -4.369 -1.236 1.00 0.00 O ATOM 784 CB TRP A 51 7.489 -2.091 1.022 1.00 0.00 C ATOM 785 CG TRP A 51 7.593 -1.592 2.429 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.496 -2.014 3.342 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.777 -0.581 3.106 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.297 -1.350 4.535 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.243 -0.466 4.451 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.680 0.235 2.736 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.658 0.401 5.379 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.073 1.102 3.671 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.574 1.198 4.982 1.00 0.00 C ATOM 0 H TRP A 51 7.747 -4.425 1.876 1.00 0.00 H new ATOM 0 HA TRP A 51 5.470 -2.848 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.466 -2.464 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.251 -1.248 0.373 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.258 -2.758 3.165 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.859 -1.495 5.374 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.303 0.194 1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.036 0.456 6.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.219 1.695 3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.124 1.885 5.683 1.00 0.00 H new ATOM 804 N TYR A 52 5.538 -2.752 -1.423 1.00 0.00 N ATOM 805 CA TYR A 52 5.466 -2.764 -2.875 1.00 0.00 C ATOM 806 C TYR A 52 5.069 -1.367 -3.387 1.00 0.00 C ATOM 807 O TYR A 52 4.495 -0.556 -2.650 1.00 0.00 O ATOM 808 CB TYR A 52 4.502 -3.852 -3.394 1.00 0.00 C ATOM 809 CG TYR A 52 4.192 -5.098 -2.572 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.409 -5.035 -1.399 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.600 -6.353 -3.060 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.058 -6.220 -0.719 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.239 -7.540 -2.393 1.00 0.00 C ATOM 814 CZ TYR A 52 3.481 -7.474 -1.207 1.00 0.00 C ATOM 815 OH TYR A 52 3.168 -8.613 -0.529 1.00 0.00 O ATOM 0 H TYR A 52 4.886 -2.095 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 52 6.452 -3.013 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.550 -3.361 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.895 -4.194 -4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.078 -4.079 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.198 -6.407 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.462 -6.167 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.542 -8.498 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 52 3.536 -9.388 -1.004 1.00 0.00 H new ATOM 825 N HIS A 53 5.338 -1.079 -4.666 1.00 0.00 N ATOM 826 CA HIS A 53 4.742 0.081 -5.355 1.00 0.00 C ATOM 827 C HIS A 53 3.202 0.038 -5.254 1.00 0.00 C ATOM 828 O HIS A 53 2.624 -1.045 -5.120 1.00 0.00 O ATOM 829 CB HIS A 53 5.161 0.116 -6.837 1.00 0.00 C ATOM 830 CG HIS A 53 6.648 0.202 -7.111 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.486 -0.806 -7.609 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.388 1.341 -6.968 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.700 -0.248 -7.743 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.674 1.037 -7.360 1.00 0.00 N ATOM 0 H HIS A 53 5.966 -1.632 -5.249 1.00 0.00 H new ATOM 0 HA HIS A 53 5.108 0.983 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.775 -0.780 -7.323 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.676 0.970 -7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.033 2.298 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.576 -0.763 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.468 1.678 -7.359 1.00 0.00 H new ATOM 842 N PHE A 54 2.520 1.188 -5.366 1.00 0.00 N ATOM 843 CA PHE A 54 1.047 1.250 -5.308 1.00 0.00 C ATOM 844 C PHE A 54 0.376 0.235 -6.257 1.00 0.00 C ATOM 845 O PHE A 54 -0.534 -0.480 -5.843 1.00 0.00 O ATOM 846 CB PHE A 54 0.560 2.675 -5.630 1.00 0.00 C ATOM 847 CG PHE A 54 -0.926 2.760 -5.958 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.896 2.786 -4.933 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.344 2.753 -7.305 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.266 2.803 -5.260 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.712 2.743 -7.626 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.672 2.758 -6.603 1.00 0.00 C ATOM 0 H PHE A 54 2.967 2.095 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 54 0.756 0.985 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.772 3.322 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.131 3.062 -6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.588 2.793 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.608 2.755 -8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.006 2.851 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.024 2.724 -8.660 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.723 2.735 -6.849 1.00 0.00 H new ATOM 862 N SER A 55 0.841 0.126 -7.509 1.00 0.00 N ATOM 863 CA SER A 55 0.254 -0.779 -8.505 1.00 0.00 C ATOM 864 C SER A 55 0.658 -2.235 -8.272 1.00 0.00 C ATOM 865 O SER A 55 -0.137 -3.137 -8.522 1.00 0.00 O ATOM 866 CB SER A 55 0.614 -0.317 -9.918 1.00 0.00 C ATOM 867 OG SER A 55 2.015 -0.375 -10.139 1.00 0.00 O ATOM 0 H SER A 55 1.634 0.663 -7.859 1.00 0.00 H new ATOM 0 HA SER A 55 -0.829 -0.738 -8.393 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.102 -0.943 -10.649 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.262 0.703 -10.070 1.00 0.00 H new ATOM 0 HG SER A 55 2.215 -0.076 -11.050 1.00 0.00 H new ATOM 873 N CYS A 56 1.865 -2.478 -7.753 1.00 0.00 N ATOM 874 CA CYS A 56 2.382 -3.806 -7.448 1.00 0.00 C ATOM 875 C CYS A 56 1.580 -4.529 -6.350 1.00 0.00 C ATOM 876 O CYS A 56 1.347 -5.734 -6.446 1.00 0.00 O ATOM 877 CB CYS A 56 3.859 -3.678 -7.084 1.00 0.00 C ATOM 878 SG CYS A 56 4.845 -3.182 -8.545 1.00 0.00 S ATOM 0 H CYS A 56 2.524 -1.733 -7.529 1.00 0.00 H new ATOM 0 HA CYS A 56 2.272 -4.433 -8.333 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.980 -2.941 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.227 -4.628 -6.696 1.00 0.00 H new ATOM 883 N PHE A 57 1.080 -3.797 -5.353 1.00 0.00 N ATOM 884 CA PHE A 57 0.114 -4.315 -4.378 1.00 0.00 C ATOM 885 C PHE A 57 -1.129 -4.905 -5.070 1.00 0.00 C ATOM 886 O PHE A 57 -1.557 -6.021 -4.770 1.00 0.00 O ATOM 887 CB PHE A 57 -0.261 -3.182 -3.427 1.00 0.00 C ATOM 888 CG PHE A 57 -1.161 -3.625 -2.296 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.545 -3.759 -2.513 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.619 -3.902 -1.028 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.384 -4.173 -1.469 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.467 -4.265 0.031 1.00 0.00 C ATOM 893 CZ PHE A 57 -2.846 -4.412 -0.193 1.00 0.00 C ATOM 0 H PHE A 57 1.334 -2.822 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 57 0.566 -5.132 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.649 -2.750 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.759 -2.393 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.962 -3.542 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.447 -3.836 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.441 -4.308 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.059 -4.431 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.495 -4.710 0.618 1.00 0.00 H new ATOM 903 N TRP A 58 -1.671 -4.204 -6.068 1.00 0.00 N ATOM 904 CA TRP A 58 -2.808 -4.668 -6.869 1.00 0.00 C ATOM 905 C TRP A 58 -2.438 -5.744 -7.914 1.00 0.00 C ATOM 906 O TRP A 58 -3.332 -6.432 -8.409 1.00 0.00 O ATOM 907 CB TRP A 58 -3.497 -3.456 -7.501 1.00 0.00 C ATOM 908 CG TRP A 58 -3.878 -2.363 -6.539 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.387 -1.106 -6.593 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.757 -2.387 -5.360 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.821 -0.379 -5.507 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.678 -1.111 -4.716 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.622 -3.337 -4.764 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.390 -0.802 -3.548 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.334 -3.042 -3.585 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.212 -1.783 -2.972 1.00 0.00 C ATOM 0 H TRP A 58 -1.328 -3.285 -6.347 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.504 -5.175 -6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -2.836 -3.037 -8.259 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.396 -3.796 -8.015 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.746 -0.726 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.542 0.583 -5.313 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.738 -4.308 -5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.307 0.176 -3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -6.979 -3.790 -3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.750 -1.571 -2.060 1.00 0.00 H new ATOM 927 N LYS A 59 -1.142 -5.964 -8.197 1.00 0.00 N ATOM 928 CA LYS A 59 -0.632 -7.139 -8.942 1.00 0.00 C ATOM 929 C LYS A 59 -0.556 -8.389 -8.056 1.00 0.00 C ATOM 930 O LYS A 59 -0.656 -9.501 -8.573 1.00 0.00 O ATOM 931 CB LYS A 59 0.736 -6.848 -9.588 1.00 0.00 C ATOM 932 CG LYS A 59 0.660 -5.746 -10.653 1.00 0.00 C ATOM 933 CD LYS A 59 2.044 -5.183 -11.026 1.00 0.00 C ATOM 934 CE LYS A 59 1.910 -3.675 -11.275 1.00 0.00 C ATOM 935 NZ LYS A 59 3.190 -2.953 -11.071 1.00 0.00 N ATOM 0 H LYS A 59 -0.403 -5.322 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.348 -7.340 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.444 -6.553 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.122 -7.761 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.181 -6.144 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.029 -4.936 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.758 -5.372 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.427 -5.681 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.559 -3.507 -12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.154 -3.265 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.994 -1.965 -10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.728 -3.409 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.747 -2.978 -11.949 1.00 0.00 H new ATOM 949 N VAL A 60 -0.424 -8.227 -6.732 1.00 0.00 N ATOM 950 CA VAL A 60 -0.690 -9.306 -5.752 1.00 0.00 C ATOM 951 C VAL A 60 -2.207 -9.516 -5.593 1.00 0.00 C ATOM 952 O VAL A 60 -2.671 -10.654 -5.513 1.00 0.00 O ATOM 953 CB VAL A 60 0.003 -9.034 -4.399 1.00 0.00 C ATOM 954 CG1 VAL A 60 -0.161 -10.213 -3.429 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.511 -8.811 -4.568 1.00 0.00 C ATOM 0 H VAL A 60 -0.131 -7.349 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.260 -10.231 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.476 -8.139 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.340 -9.983 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.221 -10.386 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.281 -11.108 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.962 -8.623 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.963 -9.698 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.681 -7.953 -5.219 1.00 0.00 H new ATOM 965 N GLY A 61 -2.994 -8.435 -5.663 1.00 0.00 N ATOM 966 CA GLY A 61 -4.427 -8.479 -5.986 1.00 0.00 C ATOM 967 C GLY A 61 -5.361 -8.868 -4.835 1.00 0.00 C ATOM 968 O GLY A 61 -6.316 -9.620 -5.045 1.00 0.00 O ATOM 0 H GLY A 61 -2.648 -7.490 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.727 -7.498 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.574 -9.186 -6.802 1.00 0.00 H new ATOM 972 N HIS A 62 -5.102 -8.374 -3.620 1.00 0.00 N ATOM 973 CA HIS A 62 -5.985 -8.573 -2.458 1.00 0.00 C ATOM 974 C HIS A 62 -7.325 -7.833 -2.610 1.00 0.00 C ATOM 975 O HIS A 62 -7.361 -6.686 -3.064 1.00 0.00 O ATOM 976 CB HIS A 62 -5.273 -8.138 -1.170 1.00 0.00 C ATOM 977 CG HIS A 62 -4.207 -9.107 -0.721 1.00 0.00 C ATOM 978 ND1 HIS A 62 -4.362 -10.076 0.276 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.939 -9.184 -1.216 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.178 -10.709 0.363 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.312 -10.200 -0.529 1.00 0.00 N ATOM 0 H HIS A 62 -4.271 -7.822 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.213 -9.637 -2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.821 -7.158 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.011 -8.026 -0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.510 -8.569 -1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.956 -11.511 1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.352 -10.513 -0.673 1.00 0.00 H new ATOM 989 N SER A 63 -8.422 -8.468 -2.186 1.00 0.00 N ATOM 990 CA SER A 63 -9.770 -7.872 -2.186 1.00 0.00 C ATOM 991 C SER A 63 -10.045 -7.158 -0.858 1.00 0.00 C ATOM 992 O SER A 63 -10.107 -7.788 0.201 1.00 0.00 O ATOM 993 CB SER A 63 -10.840 -8.943 -2.445 1.00 0.00 C ATOM 994 OG SER A 63 -10.651 -9.535 -3.722 1.00 0.00 O ATOM 0 H SER A 63 -8.403 -9.423 -1.828 1.00 0.00 H new ATOM 0 HA SER A 63 -9.814 -7.139 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.791 -9.709 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.832 -8.496 -2.388 1.00 0.00 H new ATOM 0 HG SER A 63 -11.339 -10.216 -3.872 1.00 0.00 H new ATOM 1000 N ILE A 64 -10.239 -5.839 -0.912 1.00 0.00 N ATOM 1001 CA ILE A 64 -10.309 -4.947 0.255 1.00 0.00 C ATOM 1002 C ILE A 64 -11.593 -4.127 0.116 1.00 0.00 C ATOM 1003 O ILE A 64 -11.770 -3.377 -0.843 1.00 0.00 O ATOM 1004 CB ILE A 64 -9.023 -4.076 0.328 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.761 -4.962 0.412 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -9.031 -3.083 1.509 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.450 -4.174 0.419 1.00 0.00 C ATOM 0 H ILE A 64 -10.356 -5.343 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.349 -5.497 1.195 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.005 -3.492 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.814 -5.568 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.755 -5.650 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.107 -2.505 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.881 -2.408 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.110 -3.633 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.610 -4.866 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.372 -3.589 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.432 -3.505 1.279 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.499 -4.278 1.086 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.809 -3.595 1.153 1.00 0.00 C ATOM 1021 C ARG A 65 -13.966 -2.739 2.420 1.00 0.00 C ATOM 1022 O ARG A 65 -15.049 -2.261 2.754 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.975 -4.571 0.881 1.00 0.00 C ATOM 1024 CG ARG A 65 -15.138 -5.761 1.844 1.00 0.00 C ATOM 1025 CD ARG A 65 -14.121 -6.882 1.586 1.00 0.00 C ATOM 1026 NE ARG A 65 -14.422 -8.091 2.378 1.00 0.00 N ATOM 1027 CZ ARG A 65 -13.642 -9.145 2.544 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -12.451 -9.231 2.017 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -14.046 -10.146 3.271 1.00 0.00 N ATOM 0 H ARG A 65 -12.342 -4.900 1.879 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.848 -2.871 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.903 -3.999 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.855 -4.967 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.031 -5.409 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.147 -6.163 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.119 -7.134 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.120 -6.527 1.831 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.328 -8.115 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.088 -8.465 1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.884 -10.064 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.965 -10.117 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.444 -10.959 3.399 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.845 -2.565 3.117 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.648 -1.902 4.405 1.00 0.00 C ATOM 1045 C HIS A 66 -11.267 -1.230 4.492 1.00 0.00 C ATOM 1046 O HIS A 66 -10.578 -1.353 5.509 1.00 0.00 O ATOM 1047 CB HIS A 66 -12.844 -2.974 5.485 1.00 0.00 C ATOM 1048 CG HIS A 66 -12.147 -4.276 5.141 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -10.807 -4.440 4.775 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.798 -5.443 4.899 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -10.670 -5.722 4.401 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.856 -6.351 4.466 1.00 0.00 N ATOM 0 H HIS A 66 -11.960 -2.922 2.756 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.366 -1.093 4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.463 -2.602 6.436 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.910 -3.160 5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.855 -5.625 5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.742 -6.181 4.093 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.029 -7.329 4.235 1.00 0.00 H new ATOM 1060 N PRO A 67 -10.814 -0.514 3.445 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.444 -0.026 3.403 1.00 0.00 C ATOM 1062 C PRO A 67 -9.128 0.956 4.536 1.00 0.00 C ATOM 1063 O PRO A 67 -8.022 0.937 5.061 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.253 0.596 2.015 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.675 0.962 1.597 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.530 -0.124 2.240 1.00 0.00 C ATOM 0 HA PRO A 67 -8.741 -0.844 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.606 1.473 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.797 -0.107 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.954 1.954 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.785 0.969 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.526 0.249 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.659 -0.972 1.568 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.103 1.732 5.011 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.903 2.648 6.142 1.00 0.00 C ATOM 1076 C ASP A 68 -9.838 1.931 7.512 1.00 0.00 C ATOM 1077 O ASP A 68 -9.484 2.548 8.520 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.933 3.785 6.094 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.381 3.283 6.159 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.932 3.140 7.275 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.968 3.045 5.076 1.00 0.00 O ATOM 0 H ASP A 68 -11.048 1.746 4.628 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.915 3.095 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.753 4.467 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.793 4.357 5.177 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.152 0.628 7.551 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.039 -0.256 8.722 1.00 0.00 C ATOM 1088 C VAL A 69 -8.736 -1.066 8.683 1.00 0.00 C ATOM 1089 O VAL A 69 -8.048 -1.170 9.700 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.237 -1.231 8.815 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.309 -1.898 10.193 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.600 -0.576 8.548 1.00 0.00 C ATOM 0 H VAL A 69 -10.508 0.139 6.730 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.037 0.388 9.602 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.048 -1.964 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.161 -2.576 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.392 -2.459 10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.425 -1.134 10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.387 -1.326 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.773 0.215 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.609 -0.152 7.544 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.393 -1.641 7.523 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.333 -2.661 7.390 1.00 0.00 C ATOM 1104 C GLU A 70 -6.057 -2.191 6.678 1.00 0.00 C ATOM 1105 O GLU A 70 -4.982 -2.707 6.984 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.882 -3.909 6.678 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.921 -4.687 7.500 1.00 0.00 C ATOM 1108 CD GLU A 70 -8.371 -5.188 8.852 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -7.201 -5.638 8.910 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.117 -5.149 9.860 1.00 0.00 O ATOM 0 H GLU A 70 -8.846 -1.412 6.638 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.035 -2.888 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.333 -3.607 5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.052 -4.573 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.785 -4.048 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.271 -5.540 6.918 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.142 -1.216 5.767 1.00 0.00 N ATOM 1118 CA VAL A 71 -4.977 -0.483 5.241 1.00 0.00 C ATOM 1119 C VAL A 71 -4.548 0.583 6.252 1.00 0.00 C ATOM 1120 O VAL A 71 -5.072 1.698 6.297 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.229 0.078 3.835 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.912 0.628 3.312 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.702 -1.008 2.857 1.00 0.00 C ATOM 0 H VAL A 71 -7.029 -0.908 5.368 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.147 -1.178 5.116 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.005 0.841 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.059 1.035 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.558 1.417 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.173 -0.173 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.868 -0.566 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.942 -1.785 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.632 -1.445 3.220 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.557 0.234 7.070 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.869 1.170 7.957 1.00 0.00 C ATOM 1135 C ASP A 72 -2.223 2.320 7.165 1.00 0.00 C ATOM 1136 O ASP A 72 -1.723 2.118 6.063 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.811 0.406 8.760 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.077 1.334 9.736 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.662 1.692 10.784 1.00 0.00 O ATOM 1140 OD2 ASP A 72 0.066 1.739 9.421 1.00 0.00 O ATOM 0 H ASP A 72 -3.204 -0.721 7.136 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.596 1.615 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.286 -0.405 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.093 -0.050 8.079 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.221 3.533 7.713 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.525 4.691 7.134 1.00 0.00 C ATOM 1147 C GLY A 73 -2.284 5.420 6.024 1.00 0.00 C ATOM 1148 O GLY A 73 -1.822 6.452 5.544 1.00 0.00 O ATOM 0 H GLY A 73 -2.708 3.747 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.310 5.402 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.566 4.357 6.738 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.490 4.968 5.673 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.445 5.678 4.809 1.00 0.00 C ATOM 1154 C PHE A 74 -4.767 7.097 5.325 1.00 0.00 C ATOM 1155 O PHE A 74 -5.051 8.005 4.544 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.695 4.789 4.755 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.888 5.357 4.019 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.009 5.175 2.630 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.903 6.026 4.731 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.151 5.645 1.960 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.039 6.504 4.058 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.167 6.304 2.674 1.00 0.00 C ATOM 0 H PHE A 74 -3.844 4.066 5.992 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.026 5.838 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.422 3.843 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.999 4.563 5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.226 4.675 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.807 6.172 5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.249 5.500 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.812 7.024 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.047 6.657 2.157 1.00 0.00 H new ATOM 1172 N SER A 75 -4.645 7.320 6.635 1.00 0.00 N ATOM 1173 CA SER A 75 -4.700 8.637 7.291 1.00 0.00 C ATOM 1174 C SER A 75 -3.573 9.608 6.888 1.00 0.00 C ATOM 1175 O SER A 75 -3.725 10.821 7.046 1.00 0.00 O ATOM 1176 CB SER A 75 -4.650 8.434 8.811 1.00 0.00 C ATOM 1177 OG SER A 75 -3.594 7.550 9.167 1.00 0.00 O ATOM 0 H SER A 75 -4.499 6.560 7.299 1.00 0.00 H new ATOM 0 HA SER A 75 -5.631 9.098 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.509 9.395 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.601 8.032 9.160 1.00 0.00 H new ATOM 0 HG SER A 75 -3.578 7.435 10.140 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.455 9.108 6.355 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.273 9.896 5.962 1.00 0.00 C ATOM 1185 C GLU A 76 -1.347 10.410 4.505 1.00 0.00 C ATOM 1186 O GLU A 76 -0.517 11.220 4.086 1.00 0.00 O ATOM 1187 CB GLU A 76 0.009 9.057 6.157 1.00 0.00 C ATOM 1188 CG GLU A 76 0.195 8.489 7.578 1.00 0.00 C ATOM 1189 CD GLU A 76 1.390 7.519 7.676 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.410 7.700 6.971 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.337 6.549 8.470 1.00 0.00 O ATOM 0 H GLU A 76 -2.339 8.110 6.177 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.250 10.773 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.003 8.229 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.873 9.675 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.341 9.312 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.715 7.971 7.880 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.324 9.934 3.722 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.504 10.240 2.296 1.00 0.00 C ATOM 1200 C LEU A 77 -3.190 11.596 2.059 1.00 0.00 C ATOM 1201 O LEU A 77 -3.967 12.081 2.888 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.323 9.110 1.635 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.525 7.894 1.141 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.525 7.337 2.149 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.501 6.794 0.728 1.00 0.00 C ATOM 0 H LEU A 77 -3.039 9.300 4.078 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.514 10.308 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.068 8.763 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.866 9.530 0.788 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.929 8.242 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.008 6.481 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.798 8.108 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.053 7.023 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.943 5.926 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.112 6.509 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.145 7.160 -0.071 1.00 0.00 H new ATOM 1217 N ARG A 78 -2.964 12.165 0.867 1.00 0.00 N ATOM 1218 CA ARG A 78 -3.761 13.280 0.328 1.00 0.00 C ATOM 1219 C ARG A 78 -5.197 12.856 0.017 1.00 0.00 C ATOM 1220 O ARG A 78 -5.481 11.688 -0.257 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.077 13.877 -0.920 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.113 15.023 -0.568 1.00 0.00 C ATOM 1223 CD ARG A 78 -2.861 16.316 -0.199 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.503 16.933 -1.378 1.00 0.00 N ATOM 1225 CZ ARG A 78 -4.424 17.882 -1.380 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.893 18.399 -0.279 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.903 18.332 -2.503 1.00 0.00 N ATOM 0 H ARG A 78 -2.216 11.863 0.243 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.815 14.051 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.529 13.092 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.839 14.245 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.480 14.720 0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.454 15.215 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.618 16.096 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.164 17.025 0.248 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.203 16.589 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.550 18.073 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.603 19.130 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.568 17.953 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.613 19.064 -2.498 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.096 13.837 0.005 1.00 0.00 N ATOM 1242 CA TRP A 79 -7.535 13.644 -0.204 1.00 0.00 C ATOM 1243 C TRP A 79 -7.865 12.965 -1.549 1.00 0.00 C ATOM 1244 O TRP A 79 -8.762 12.129 -1.614 1.00 0.00 O ATOM 1245 CB TRP A 79 -8.236 15.004 0.002 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.321 15.389 -0.956 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -10.650 15.246 -0.756 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.178 16.014 -2.268 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.339 15.753 -1.843 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.480 16.222 -2.816 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.076 16.419 -3.051 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.676 16.784 -4.086 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.260 16.981 -4.329 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.556 17.163 -4.848 1.00 0.00 C ATOM 0 H TRP A 79 -5.841 14.815 0.144 1.00 0.00 H new ATOM 0 HA TRP A 79 -7.921 12.938 0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.659 15.013 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -7.472 15.781 -0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.104 14.804 0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.356 15.777 -1.916 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.075 16.296 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.674 16.924 -4.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.401 17.274 -4.915 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.690 17.593 -5.830 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.109 13.234 -2.615 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.264 12.575 -3.926 1.00 0.00 C ATOM 1267 C ASP A 80 -6.788 11.109 -3.930 1.00 0.00 C ATOM 1268 O ASP A 80 -7.301 10.278 -4.678 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.511 13.399 -4.978 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.732 12.867 -6.406 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.865 12.993 -6.929 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.765 12.358 -7.022 1.00 0.00 O ATOM 0 H ASP A 80 -6.359 13.925 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.328 12.537 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.838 14.437 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.445 13.388 -4.750 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.815 10.777 -3.080 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.184 9.458 -3.002 1.00 0.00 C ATOM 1279 C ASP A 81 -5.978 8.527 -2.091 1.00 0.00 C ATOM 1280 O ASP A 81 -6.133 7.359 -2.424 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.722 9.573 -2.554 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.846 10.164 -3.664 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.665 9.490 -4.706 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.327 11.288 -3.483 1.00 0.00 O ATOM 0 H ASP A 81 -5.432 11.439 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.186 9.021 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.660 10.201 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.346 8.589 -2.276 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.576 9.049 -1.014 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.591 8.341 -0.233 1.00 0.00 C ATOM 1291 C GLN A 82 -8.749 7.884 -1.131 1.00 0.00 C ATOM 1292 O GLN A 82 -9.070 6.699 -1.169 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.105 9.254 0.893 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.077 9.378 2.025 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.534 10.279 3.172 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.407 11.130 3.048 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -6.945 10.136 4.339 1.00 0.00 N ATOM 0 H GLN A 82 -6.366 9.982 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.141 7.452 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.326 10.242 0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.039 8.855 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.861 8.385 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.145 9.769 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.216 9.433 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.217 10.729 5.123 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.319 8.790 -1.931 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.428 8.473 -2.841 1.00 0.00 C ATOM 1308 C GLN A 83 -10.046 7.429 -3.900 1.00 0.00 C ATOM 1309 O GLN A 83 -10.853 6.558 -4.223 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.906 9.755 -3.534 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.558 10.733 -2.550 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.897 12.050 -3.239 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.991 12.271 -3.743 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.954 12.962 -3.307 1.00 0.00 N ATOM 0 H GLN A 83 -9.025 9.766 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.228 8.043 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.060 10.241 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.620 9.499 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.464 10.290 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.884 10.918 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.041 12.784 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.135 13.849 -3.778 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.807 7.466 -4.406 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.279 6.569 -5.424 1.00 0.00 C ATOM 1325 C LYS A 84 -7.924 5.219 -4.813 1.00 0.00 C ATOM 1326 O LYS A 84 -8.185 4.206 -5.447 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.117 7.318 -6.099 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.300 6.526 -7.126 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.124 5.763 -6.498 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.082 6.613 -5.754 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.470 7.668 -6.602 1.00 0.00 N ATOM 0 H LYS A 84 -8.120 8.155 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.008 6.316 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.521 8.202 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.439 7.669 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.955 5.819 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.919 7.210 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.526 5.027 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.614 5.210 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.554 7.080 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.296 5.961 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.922 8.319 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.840 7.228 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.219 8.197 -7.093 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.417 5.169 -3.579 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.167 3.906 -2.856 1.00 0.00 C ATOM 1347 C VAL A 85 -8.488 3.220 -2.515 1.00 0.00 C ATOM 1348 O VAL A 85 -8.627 2.032 -2.799 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.295 4.122 -1.597 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.279 2.929 -0.624 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.837 4.376 -1.996 1.00 0.00 C ATOM 0 H VAL A 85 -7.165 6.002 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.600 3.249 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.748 4.975 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.644 3.165 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.293 2.728 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.888 2.049 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.235 4.526 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.456 3.517 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.781 5.265 -2.624 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.493 3.951 -2.006 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.833 3.383 -1.775 1.00 0.00 C ATOM 1363 C LYS A 86 -11.465 2.899 -3.079 1.00 0.00 C ATOM 1364 O LYS A 86 -11.888 1.748 -3.147 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.761 4.358 -1.026 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.270 4.638 0.407 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.366 5.029 1.414 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.364 3.884 1.620 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.217 4.082 2.820 1.00 0.00 N ATOM 0 H LYS A 86 -9.404 4.934 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.701 2.516 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.822 5.296 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.768 3.943 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.759 3.750 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.531 5.439 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.910 5.293 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.893 5.914 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.998 3.796 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.820 2.945 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.154 3.662 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.773 3.623 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.322 5.100 3.007 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.435 3.708 -4.145 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.984 3.317 -5.457 1.00 0.00 C ATOM 1385 C LYS A 87 -11.257 2.112 -6.053 1.00 0.00 C ATOM 1386 O LYS A 87 -11.909 1.198 -6.544 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.985 4.524 -6.400 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.697 4.191 -7.721 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.001 5.483 -8.482 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.787 5.235 -9.779 1.00 0.00 C ATOM 1391 NZ LYS A 87 -12.966 4.571 -10.828 1.00 0.00 N ATOM 0 H LYS A 87 -11.034 4.646 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.016 2.995 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.481 5.366 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.959 4.832 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.070 3.538 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.621 3.649 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.571 6.153 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.065 5.989 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.658 4.617 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.159 6.186 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.543 4.427 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.148 5.170 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.632 3.651 -10.477 1.00 0.00 H new ATOM 1405 N THR A 88 -9.929 2.056 -5.950 1.00 0.00 N ATOM 1406 CA THR A 88 -9.114 0.932 -6.431 1.00 0.00 C ATOM 1407 C THR A 88 -9.359 -0.349 -5.628 1.00 0.00 C ATOM 1408 O THR A 88 -9.403 -1.433 -6.207 1.00 0.00 O ATOM 1409 CB THR A 88 -7.622 1.285 -6.448 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.400 2.414 -7.263 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.800 0.172 -7.076 1.00 0.00 C ATOM 0 H THR A 88 -9.377 2.800 -5.524 1.00 0.00 H new ATOM 0 HA THR A 88 -9.429 0.738 -7.456 1.00 0.00 H new ATOM 0 HB THR A 88 -7.332 1.456 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.499 3.229 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.747 0.452 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.933 -0.746 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.130 0.011 -8.102 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.597 -0.241 -4.320 1.00 0.00 N ATOM 1420 CA ALA A 89 -9.921 -1.371 -3.460 1.00 0.00 C ATOM 1421 C ALA A 89 -11.332 -1.903 -3.775 1.00 0.00 C ATOM 1422 O ALA A 89 -11.518 -3.113 -3.920 1.00 0.00 O ATOM 1423 CB ALA A 89 -9.774 -0.891 -2.013 1.00 0.00 C ATOM 0 H ALA A 89 -9.569 0.650 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.247 -2.211 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.008 -1.710 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.750 -0.559 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.459 -0.062 -1.833 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.294 -1.006 -4.030 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.640 -1.378 -4.495 1.00 0.00 C ATOM 1431 C GLU A 90 -13.622 -2.007 -5.899 1.00 0.00 C ATOM 1432 O GLU A 90 -14.383 -2.933 -6.189 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.585 -0.163 -4.499 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.954 0.321 -3.094 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.010 1.441 -3.158 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.636 2.638 -3.230 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.227 1.133 -3.130 1.00 0.00 O ATOM 0 H GLU A 90 -12.162 -0.001 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.008 -2.123 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.113 0.654 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.496 -0.422 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.338 -0.513 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.062 0.685 -2.585 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.717 -1.532 -6.757 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.470 -2.028 -8.107 1.00 0.00 C ATOM 1446 C ALA A 91 -11.681 -3.359 -8.151 1.00 0.00 C ATOM 1447 O ALA A 91 -11.526 -3.946 -9.226 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.756 -0.900 -8.867 1.00 0.00 C ATOM 0 H ALA A 91 -12.107 -0.751 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.419 -2.281 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.548 -1.223 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.393 -0.016 -8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.819 -0.659 -8.365 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.183 -3.850 -7.007 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.394 -5.084 -6.904 1.00 0.00 C ATOM 1456 C GLY A 92 -8.976 -4.982 -7.487 1.00 0.00 C ATOM 1457 O GLY A 92 -8.406 -5.999 -7.891 1.00 0.00 O ATOM 0 H GLY A 92 -11.321 -3.389 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.322 -5.368 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.927 -5.885 -7.416 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.411 -3.772 -7.546 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.074 -3.484 -8.055 1.00 0.00 C ATOM 1463 C GLY A 93 -7.046 -2.851 -9.450 1.00 0.00 C ATOM 1464 O GLY A 93 -7.893 -3.124 -10.303 1.00 0.00 O ATOM 0 H GLY A 93 -8.896 -2.934 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.570 -2.816 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.501 -4.411 -8.079 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.031 -2.012 -9.679 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.675 -1.427 -10.987 1.00 0.00 C ATOM 1470 C VAL A 94 -4.157 -1.455 -11.202 1.00 0.00 C ATOM 1471 O VAL A 94 -3.386 -1.370 -10.243 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.261 -0.006 -11.144 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.455 1.084 -10.421 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -6.382 0.392 -12.621 1.00 0.00 C ATOM 0 H VAL A 94 -5.407 -1.706 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.124 -2.040 -11.769 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.245 -0.065 -10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.930 2.052 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.423 0.865 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.440 1.109 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.798 1.397 -12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.396 0.372 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.039 -0.310 -13.134 1.00 0.00 H new ATOM 1484 N THR A 95 -3.721 -1.574 -12.457 1.00 0.00 N ATOM 1485 CA THR A 95 -2.305 -1.708 -12.840 1.00 0.00 C ATOM 1486 C THR A 95 -1.868 -0.641 -13.850 1.00 0.00 C ATOM 1487 O THR A 95 -2.655 -0.188 -14.688 1.00 0.00 O ATOM 1488 CB THR A 95 -1.999 -3.120 -13.369 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.824 -3.440 -14.472 1.00 0.00 O ATOM 1490 CG2 THR A 95 -2.241 -4.180 -12.292 1.00 0.00 C ATOM 0 H THR A 95 -4.353 -1.581 -13.258 1.00 0.00 H new ATOM 0 HA THR A 95 -1.722 -1.548 -11.933 1.00 0.00 H new ATOM 0 HB THR A 95 -0.951 -3.119 -13.667 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.609 -4.341 -14.791 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.016 -5.167 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.596 -3.983 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.284 -4.146 -11.976 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.604 -0.214 -13.751 1.00 0.00 N ATOM 1499 CA GLY A 96 0.024 0.762 -14.650 1.00 0.00 C ATOM 1500 C GLY A 96 0.796 0.122 -15.814 1.00 0.00 C ATOM 1501 O GLY A 96 0.691 -1.083 -16.066 1.00 0.00 O ATOM 0 H GLY A 96 0.028 -0.547 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.746 1.419 -15.054 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.706 1.387 -14.074 1.00 0.00 H new ATOM 1505 N LYS A 97 1.602 0.939 -16.506 1.00 0.00 N ATOM 1506 CA LYS A 97 2.500 0.543 -17.612 1.00 0.00 C ATOM 1507 C LYS A 97 3.927 1.078 -17.401 1.00 0.00 C ATOM 1508 O LYS A 97 4.138 2.023 -16.636 1.00 0.00 O ATOM 1509 CB LYS A 97 1.919 1.016 -18.960 1.00 0.00 C ATOM 1510 CG LYS A 97 0.586 0.328 -19.308 1.00 0.00 C ATOM 1511 CD LYS A 97 0.088 0.656 -20.724 1.00 0.00 C ATOM 1512 CE LYS A 97 -0.258 2.142 -20.892 1.00 0.00 C ATOM 1513 NZ LYS A 97 -0.794 2.427 -22.250 1.00 0.00 N ATOM 0 H LYS A 97 1.652 1.938 -16.306 1.00 0.00 H new ATOM 0 HA LYS A 97 2.567 -0.545 -17.625 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.768 2.095 -18.927 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.642 0.819 -19.752 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.706 -0.751 -19.213 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.171 0.630 -18.584 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.854 0.380 -21.449 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.793 0.053 -20.945 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.993 2.433 -20.141 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.632 2.746 -20.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.017 3.440 -22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.083 2.172 -22.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.657 1.869 -22.407 1.00 0.00 H new ATOM 1527 N GLY A 98 4.901 0.489 -18.098 1.00 0.00 N ATOM 1528 CA GLY A 98 6.322 0.858 -18.014 1.00 0.00 C ATOM 1529 C GLY A 98 7.044 0.314 -16.770 1.00 0.00 C ATOM 1530 O GLY A 98 6.616 -0.673 -16.164 1.00 0.00 O ATOM 0 H GLY A 98 4.724 -0.274 -18.751 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.833 0.494 -18.905 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.404 1.945 -18.021 1.00 0.00 H new ATOM 1534 N GLN A 99 8.161 0.953 -16.411 1.00 0.00 N ATOM 1535 CA GLN A 99 9.084 0.549 -15.340 1.00 0.00 C ATOM 1536 C GLN A 99 9.541 1.778 -14.529 1.00 0.00 C ATOM 1537 O GLN A 99 9.806 2.838 -15.103 1.00 0.00 O ATOM 1538 CB GLN A 99 10.266 -0.189 -15.996 1.00 0.00 C ATOM 1539 CG GLN A 99 11.293 -0.795 -15.023 1.00 0.00 C ATOM 1540 CD GLN A 99 12.414 -1.555 -15.747 1.00 0.00 C ATOM 1541 OE1 GLN A 99 12.466 -1.664 -16.968 1.00 0.00 O ATOM 1542 NE2 GLN A 99 13.366 -2.120 -15.039 1.00 0.00 N ATOM 0 H GLN A 99 8.463 1.807 -16.880 1.00 0.00 H new ATOM 0 HA GLN A 99 8.593 -0.119 -14.632 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.870 -0.988 -16.622 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.784 0.506 -16.656 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.729 0.001 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.783 -1.472 -14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.355 -2.050 -14.021 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.116 -2.629 -15.507 1.00 0.00 H new ATOM 1551 N ASP A 100 9.635 1.648 -13.202 1.00 0.00 N ATOM 1552 CA ASP A 100 10.008 2.734 -12.280 1.00 0.00 C ATOM 1553 C ASP A 100 10.798 2.220 -11.058 1.00 0.00 C ATOM 1554 O ASP A 100 10.574 1.103 -10.582 1.00 0.00 O ATOM 1555 CB ASP A 100 8.739 3.482 -11.840 1.00 0.00 C ATOM 1556 CG ASP A 100 9.055 4.708 -10.965 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.896 5.542 -11.376 1.00 0.00 O ATOM 1558 OD2 ASP A 100 8.462 4.840 -9.868 1.00 0.00 O ATOM 0 H ASP A 100 9.450 0.766 -12.725 1.00 0.00 H new ATOM 0 HA ASP A 100 10.672 3.418 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.185 3.802 -12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.092 2.801 -11.287 1.00 0.00 H new ATOM 1563 N GLY A 101 11.719 3.044 -10.545 1.00 0.00 N ATOM 1564 CA GLY A 101 12.665 2.673 -9.486 1.00 0.00 C ATOM 1565 C GLY A 101 13.791 1.742 -9.962 1.00 0.00 C ATOM 1566 O GLY A 101 13.859 1.370 -11.137 1.00 0.00 O ATOM 0 H GLY A 101 11.830 4.007 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.106 3.579 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.119 2.185 -8.678 1.00 0.00 H new ATOM 1570 N ILE A 102 14.699 1.379 -9.047 1.00 0.00 N ATOM 1571 CA ILE A 102 15.842 0.494 -9.331 1.00 0.00 C ATOM 1572 C ILE A 102 16.267 -0.317 -8.095 1.00 0.00 C ATOM 1573 O ILE A 102 16.626 0.246 -7.061 1.00 0.00 O ATOM 1574 CB ILE A 102 17.018 1.299 -9.943 1.00 0.00 C ATOM 1575 CG1 ILE A 102 18.244 0.435 -10.311 1.00 0.00 C ATOM 1576 CG2 ILE A 102 17.507 2.453 -9.050 1.00 0.00 C ATOM 1577 CD1 ILE A 102 17.910 -0.787 -11.172 1.00 0.00 C ATOM 0 H ILE A 102 14.663 1.694 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 102 15.523 -0.237 -10.074 1.00 0.00 H new ATOM 0 HB ILE A 102 16.581 1.706 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 102 18.966 1.055 -10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 102 18.727 0.099 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 102 18.330 2.971 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.689 3.153 -8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.849 2.054 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 102 18.824 -1.341 -11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.213 -1.431 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.455 -0.460 -12.107 1.00 0.00 H new ATOM 1589 N GLY A 103 16.213 -1.646 -8.191 1.00 0.00 N ATOM 1590 CA GLY A 103 16.686 -2.570 -7.156 1.00 0.00 C ATOM 1591 C GLY A 103 18.209 -2.787 -7.144 1.00 0.00 C ATOM 1592 O GLY A 103 18.976 -1.990 -7.690 1.00 0.00 O ATOM 0 H GLY A 103 15.831 -2.122 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.378 -2.193 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.195 -3.533 -7.295 1.00 0.00 H new ATOM 1596 N SER A 104 18.651 -3.877 -6.509 1.00 0.00 N ATOM 1597 CA SER A 104 20.070 -4.242 -6.349 1.00 0.00 C ATOM 1598 C SER A 104 20.325 -5.742 -6.583 1.00 0.00 C ATOM 1599 O SER A 104 19.396 -6.557 -6.569 1.00 0.00 O ATOM 1600 CB SER A 104 20.558 -3.806 -4.961 1.00 0.00 C ATOM 1601 OG SER A 104 21.975 -3.854 -4.896 1.00 0.00 O ATOM 0 H SER A 104 18.018 -4.551 -6.079 1.00 0.00 H new ATOM 0 HA SER A 104 20.640 -3.716 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.212 -2.794 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.131 -4.456 -4.198 1.00 0.00 H new ATOM 0 HG SER A 104 22.271 -3.572 -4.006 1.00 0.00 H new ATOM 1607 N LYS A 105 21.592 -6.108 -6.817 1.00 0.00 N ATOM 1608 CA LYS A 105 22.045 -7.470 -7.152 1.00 0.00 C ATOM 1609 C LYS A 105 21.898 -8.438 -5.966 1.00 0.00 C ATOM 1610 O LYS A 105 22.332 -8.139 -4.851 1.00 0.00 O ATOM 1611 CB LYS A 105 23.490 -7.383 -7.677 1.00 0.00 C ATOM 1612 CG LYS A 105 24.091 -8.736 -8.094 1.00 0.00 C ATOM 1613 CD LYS A 105 25.429 -8.519 -8.822 1.00 0.00 C ATOM 1614 CE LYS A 105 26.214 -9.811 -9.090 1.00 0.00 C ATOM 1615 NZ LYS A 105 25.452 -10.790 -9.905 1.00 0.00 N ATOM 0 H LYS A 105 22.362 -5.440 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 105 21.409 -7.887 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.514 -6.708 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.119 -6.941 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.244 -9.361 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 105 23.396 -9.266 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 105 25.237 -8.020 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 105 26.048 -7.847 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 105 27.144 -9.566 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 105 26.485 -10.270 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.105 -11.499 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.744 -11.263 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.973 -10.295 -10.684 1.00 0.00 H new ATOM 1629 N ALA A 106 21.314 -9.607 -6.228 1.00 0.00 N ATOM 1630 CA ALA A 106 21.144 -10.719 -5.296 1.00 0.00 C ATOM 1631 C ALA A 106 21.047 -12.039 -6.085 1.00 0.00 C ATOM 1632 O ALA A 106 20.296 -12.142 -7.058 1.00 0.00 O ATOM 1633 CB ALA A 106 19.888 -10.487 -4.444 1.00 0.00 C ATOM 0 H ALA A 106 20.925 -9.814 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 106 22.003 -10.782 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 106 19.762 -11.317 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 106 19.995 -9.558 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 106 19.015 -10.421 -5.093 1.00 0.00 H new ATOM 1639 N GLU A 107 21.814 -13.049 -5.672 1.00 0.00 N ATOM 1640 CA GLU A 107 22.013 -14.289 -6.445 1.00 0.00 C ATOM 1641 C GLU A 107 20.943 -15.372 -6.193 1.00 0.00 C ATOM 1642 O GLU A 107 20.812 -16.305 -6.994 1.00 0.00 O ATOM 1643 CB GLU A 107 23.421 -14.851 -6.173 1.00 0.00 C ATOM 1644 CG GLU A 107 24.571 -13.861 -6.418 1.00 0.00 C ATOM 1645 CD GLU A 107 24.592 -13.319 -7.859 1.00 0.00 C ATOM 1646 OE1 GLU A 107 23.946 -12.279 -8.133 1.00 0.00 O ATOM 1647 OE2 GLU A 107 25.283 -13.901 -8.730 1.00 0.00 O ATOM 0 H GLU A 107 22.321 -13.036 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 107 21.909 -14.015 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 107 23.467 -15.190 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 107 23.575 -15.727 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 107 24.481 -13.027 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.520 -14.353 -6.205 1.00 0.00 H new ATOM 1654 N LYS A 108 20.176 -15.255 -5.098 1.00 0.00 N ATOM 1655 CA LYS A 108 19.093 -16.169 -4.693 1.00 0.00 C ATOM 1656 C LYS A 108 17.970 -15.419 -3.959 1.00 0.00 C ATOM 1657 O LYS A 108 18.271 -14.674 -2.998 1.00 0.00 O ATOM 1658 CB LYS A 108 19.685 -17.312 -3.844 1.00 0.00 C ATOM 1659 CG LYS A 108 18.656 -18.415 -3.552 1.00 0.00 C ATOM 1660 CD LYS A 108 19.299 -19.584 -2.794 1.00 0.00 C ATOM 1661 CE LYS A 108 18.255 -20.676 -2.528 1.00 0.00 C ATOM 1662 NZ LYS A 108 18.845 -21.835 -1.808 1.00 0.00 N ATOM 1663 OXT LYS A 108 16.795 -15.564 -4.367 1.00 0.00 O ATOM 0 H LYS A 108 20.298 -14.486 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 108 18.635 -16.602 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 108 20.539 -17.744 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 108 20.057 -16.907 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 108 17.835 -18.004 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.229 -18.775 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 108 20.126 -19.994 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.716 -19.231 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 108 17.436 -20.261 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.831 -21.012 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 18.111 -22.553 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 19.610 -22.246 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 19.227 -21.518 -0.894 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 7.073 -2.735 -7.981 1.00 0.00 ZN