USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -150:sc= -0.185 (180deg=-1.16) USER MOD Set 1.2: A 79 SER OG : rot -120:sc=-0.00227 USER MOD Set 2.1: A 44 SER OG : rot -140:sc= -0.0947 USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.00246 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.418 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -6.2! C(o=-7.6!,f=-6.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= -0.762 (180deg=-2.48!) USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= 0.0763 (180deg=-1.66!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 139:sc= -0.755 (180deg=-2.7!) USER MOD Single : A 48 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-4.5!) USER MOD Single : A 49 TYR OH : rot 130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.01! C(o=-2!,f=-5.1!) USER MOD Single : A 52 ASN : amide:sc= -0.437 K(o=-0.44,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -40:sc= 0.197 USER MOD Single : A 61 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 170:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.623 F(o=-1.5!,f=-0.62) USER MOD Single : A 77 MET CE :methyl 146:sc= -0.416 (180deg=-1.01) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc=-0.00334 (180deg=-0.134) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.0662 F(o=-2.1!,f=0.066) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.325 22.024 -23.121 1.00 0.00 N ATOM 2 CA GLY A 1 6.137 22.315 -22.341 1.00 0.00 C ATOM 3 C GLY A 1 4.954 21.457 -22.744 1.00 0.00 C ATOM 4 O GLY A 1 4.259 21.762 -23.714 1.00 0.00 O ATOM 0 H1 GLY A 1 8.105 22.636 -22.807 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.592 21.028 -22.988 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.131 22.199 -24.128 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.353 22.158 -21.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.876 23.367 -22.460 1.00 0.00 H new ATOM 8 N SER A 2 4.725 20.380 -22.000 1.00 0.00 N ATOM 9 CA SER A 2 3.622 19.472 -22.289 1.00 0.00 C ATOM 10 C SER A 2 2.282 20.122 -21.958 1.00 0.00 C ATOM 11 O SER A 2 2.225 21.125 -21.247 1.00 0.00 O ATOM 12 CB SER A 2 3.781 18.173 -21.495 1.00 0.00 C ATOM 13 OG SER A 2 4.675 17.286 -22.143 1.00 0.00 O ATOM 0 H SER A 2 5.289 20.115 -21.192 1.00 0.00 H new ATOM 0 HA SER A 2 3.642 19.243 -23.355 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.149 18.398 -20.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.809 17.694 -21.378 1.00 0.00 H new ATOM 0 HG SER A 2 4.761 16.465 -21.615 1.00 0.00 H new ATOM 19 N SER A 3 1.205 19.544 -22.480 1.00 0.00 N ATOM 20 CA SER A 3 -0.135 20.068 -22.245 1.00 0.00 C ATOM 21 C SER A 3 -1.146 18.934 -22.109 1.00 0.00 C ATOM 22 O SER A 3 -1.071 17.933 -22.819 1.00 0.00 O ATOM 23 CB SER A 3 -0.547 21.002 -23.385 1.00 0.00 C ATOM 24 OG SER A 3 -0.152 22.336 -23.119 1.00 0.00 O ATOM 0 H SER A 3 1.235 18.712 -23.069 1.00 0.00 H new ATOM 0 HA SER A 3 -0.120 20.631 -21.312 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.094 20.664 -24.317 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.628 20.960 -23.521 1.00 0.00 H new ATOM 0 HG SER A 3 0.602 22.335 -22.493 1.00 0.00 H new ATOM 30 N GLY A 4 -2.093 19.100 -21.190 1.00 0.00 N ATOM 31 CA GLY A 4 -3.106 18.084 -20.977 1.00 0.00 C ATOM 32 C GLY A 4 -3.226 17.681 -19.520 1.00 0.00 C ATOM 33 O GLY A 4 -2.222 17.416 -18.858 1.00 0.00 O ATOM 0 H GLY A 4 -2.176 19.920 -20.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.069 18.456 -21.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.866 17.205 -21.575 1.00 0.00 H new ATOM 37 N SER A 5 -4.456 17.637 -19.019 1.00 0.00 N ATOM 38 CA SER A 5 -4.703 17.269 -17.630 1.00 0.00 C ATOM 39 C SER A 5 -3.802 16.114 -17.206 1.00 0.00 C ATOM 40 O SER A 5 -3.419 15.278 -18.024 1.00 0.00 O ATOM 41 CB SER A 5 -6.171 16.885 -17.435 1.00 0.00 C ATOM 42 OG SER A 5 -7.032 17.925 -17.865 1.00 0.00 O ATOM 0 H SER A 5 -5.297 17.852 -19.554 1.00 0.00 H new ATOM 0 HA SER A 5 -4.475 18.133 -17.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.389 15.974 -17.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.356 16.667 -16.383 1.00 0.00 H new ATOM 0 HG SER A 5 -7.964 17.654 -17.731 1.00 0.00 H new ATOM 48 N SER A 6 -3.468 16.073 -15.920 1.00 0.00 N ATOM 49 CA SER A 6 -2.609 15.022 -15.386 1.00 0.00 C ATOM 50 C SER A 6 -2.520 15.114 -13.865 1.00 0.00 C ATOM 51 O SER A 6 -2.039 16.105 -13.319 1.00 0.00 O ATOM 52 CB SER A 6 -1.210 15.119 -15.996 1.00 0.00 C ATOM 53 OG SER A 6 -0.635 16.392 -15.755 1.00 0.00 O ATOM 0 H SER A 6 -3.779 16.755 -15.229 1.00 0.00 H new ATOM 0 HA SER A 6 -3.047 14.059 -15.650 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.572 14.343 -15.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.265 14.939 -17.070 1.00 0.00 H new ATOM 0 HG SER A 6 -0.886 16.700 -14.859 1.00 0.00 H new ATOM 59 N GLY A 7 -2.989 14.070 -13.188 1.00 0.00 N ATOM 60 CA GLY A 7 -2.954 14.051 -11.737 1.00 0.00 C ATOM 61 C GLY A 7 -2.316 12.790 -11.189 1.00 0.00 C ATOM 62 O GLY A 7 -2.356 11.738 -11.827 1.00 0.00 O ATOM 0 H GLY A 7 -3.392 13.238 -13.618 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.401 14.919 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.970 14.138 -11.351 1.00 0.00 H new ATOM 66 N ASP A 8 -1.724 12.896 -10.004 1.00 0.00 N ATOM 67 CA ASP A 8 -1.074 11.755 -9.370 1.00 0.00 C ATOM 68 C ASP A 8 -1.957 11.165 -8.275 1.00 0.00 C ATOM 69 O ASP A 8 -3.025 11.698 -7.970 1.00 0.00 O ATOM 70 CB ASP A 8 0.276 12.172 -8.784 1.00 0.00 C ATOM 71 CG ASP A 8 1.099 12.995 -9.755 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.617 14.065 -10.183 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.226 12.571 -10.085 1.00 0.00 O ATOM 0 H ASP A 8 -1.681 13.760 -9.464 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.912 10.992 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.111 12.748 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.837 11.281 -8.501 1.00 0.00 H new ATOM 78 N VAL A 9 -1.506 10.061 -7.688 1.00 0.00 N ATOM 79 CA VAL A 9 -2.255 9.399 -6.627 1.00 0.00 C ATOM 80 C VAL A 9 -1.489 9.432 -5.310 1.00 0.00 C ATOM 81 O VAL A 9 -0.553 8.659 -5.104 1.00 0.00 O ATOM 82 CB VAL A 9 -2.567 7.935 -6.990 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.307 7.248 -5.853 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.371 7.865 -8.279 1.00 0.00 C ATOM 0 H VAL A 9 -0.625 9.606 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.191 9.945 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.625 7.410 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.519 6.215 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.690 7.265 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.244 7.771 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.582 6.823 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.309 8.406 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.799 8.316 -9.090 1.00 0.00 H new ATOM 94 N ARG A 10 -1.892 10.333 -4.419 1.00 0.00 N ATOM 95 CA ARG A 10 -1.243 10.467 -3.121 1.00 0.00 C ATOM 96 C ARG A 10 -1.486 9.231 -2.261 1.00 0.00 C ATOM 97 O ARG A 10 -2.619 8.943 -1.874 1.00 0.00 O ATOM 98 CB ARG A 10 -1.756 11.714 -2.398 1.00 0.00 C ATOM 99 CG ARG A 10 -0.768 12.286 -1.394 1.00 0.00 C ATOM 100 CD ARG A 10 -1.289 13.570 -0.769 1.00 0.00 C ATOM 101 NE ARG A 10 -0.443 14.026 0.331 1.00 0.00 N ATOM 102 CZ ARG A 10 -0.404 15.284 0.756 1.00 0.00 C ATOM 103 NH1 ARG A 10 -1.159 16.207 0.175 1.00 0.00 N ATOM 104 NH2 ARG A 10 0.391 15.621 1.763 1.00 0.00 N ATOM 0 H ARG A 10 -2.665 10.981 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.170 10.567 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.995 12.479 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.684 11.468 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.576 11.551 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.183 12.481 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.344 14.348 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.303 13.410 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 10 0.150 13.341 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.771 15.951 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.127 17.172 0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.973 14.914 2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.420 16.587 2.088 1.00 0.00 H new ATOM 118 N VAL A 11 -0.414 8.503 -1.964 1.00 0.00 N ATOM 119 CA VAL A 11 -0.510 7.298 -1.149 1.00 0.00 C ATOM 120 C VAL A 11 0.172 7.491 0.200 1.00 0.00 C ATOM 121 O VAL A 11 1.389 7.663 0.275 1.00 0.00 O ATOM 122 CB VAL A 11 0.121 6.086 -1.862 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.081 4.859 -0.965 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.588 5.816 -3.180 1.00 0.00 C ATOM 0 H VAL A 11 0.531 8.727 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.571 7.106 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 11 1.165 6.315 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.531 4.013 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.637 5.059 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.954 4.623 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.130 4.957 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.641 5.607 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.502 6.690 -3.825 1.00 0.00 H new ATOM 134 N LYS A 12 -0.620 7.462 1.267 1.00 0.00 N ATOM 135 CA LYS A 12 -0.094 7.632 2.616 1.00 0.00 C ATOM 136 C LYS A 12 0.281 6.286 3.228 1.00 0.00 C ATOM 137 O LYS A 12 -0.526 5.356 3.250 1.00 0.00 O ATOM 138 CB LYS A 12 -1.124 8.337 3.502 1.00 0.00 C ATOM 139 CG LYS A 12 -0.512 9.052 4.694 1.00 0.00 C ATOM 140 CD LYS A 12 -1.320 10.278 5.084 1.00 0.00 C ATOM 141 CE LYS A 12 -2.727 9.902 5.521 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.682 9.904 4.379 1.00 0.00 N ATOM 0 H LYS A 12 -1.629 7.322 1.223 1.00 0.00 H new ATOM 0 HA LYS A 12 0.804 8.246 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.676 9.059 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.846 7.603 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.456 8.368 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.509 9.349 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.815 10.805 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.372 10.965 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.713 8.914 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.070 10.602 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.633 10.150 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.377 10.603 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.705 8.960 3.944 1.00 0.00 H new ATOM 156 N PHE A 13 1.510 6.188 3.725 1.00 0.00 N ATOM 157 CA PHE A 13 1.991 4.956 4.337 1.00 0.00 C ATOM 158 C PHE A 13 1.880 5.025 5.858 1.00 0.00 C ATOM 159 O PHE A 13 1.807 6.108 6.436 1.00 0.00 O ATOM 160 CB PHE A 13 3.443 4.693 3.932 1.00 0.00 C ATOM 161 CG PHE A 13 3.587 4.141 2.543 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.781 3.101 2.110 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.529 4.662 1.670 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.912 2.590 0.832 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.665 4.156 0.391 1.00 0.00 C ATOM 166 CZ PHE A 13 3.854 3.119 -0.029 1.00 0.00 C ATOM 0 H PHE A 13 2.191 6.948 3.716 1.00 0.00 H new ATOM 0 HA PHE A 13 1.368 4.136 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.006 5.623 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.888 3.994 4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.042 2.685 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.165 5.473 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.278 1.778 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.404 4.570 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.956 2.723 -1.028 1.00 0.00 H new ATOM 176 N GLU A 14 1.867 3.859 6.497 1.00 0.00 N ATOM 177 CA GLU A 14 1.763 3.787 7.950 1.00 0.00 C ATOM 178 C GLU A 14 2.468 2.544 8.485 1.00 0.00 C ATOM 179 O GLU A 14 2.128 1.418 8.120 1.00 0.00 O ATOM 180 CB GLU A 14 0.295 3.779 8.379 1.00 0.00 C ATOM 181 CG GLU A 14 -0.276 5.165 8.625 1.00 0.00 C ATOM 182 CD GLU A 14 -1.790 5.195 8.551 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.325 5.416 7.445 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.440 4.996 9.599 1.00 0.00 O ATOM 0 H GLU A 14 1.927 2.953 6.032 1.00 0.00 H new ATOM 0 HA GLU A 14 2.251 4.668 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.297 3.283 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.195 3.187 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.043 5.516 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.134 5.858 7.890 1.00 0.00 H new ATOM 191 N HIS A 15 3.453 2.756 9.352 1.00 0.00 N ATOM 192 CA HIS A 15 4.206 1.653 9.938 1.00 0.00 C ATOM 193 C HIS A 15 4.656 1.995 11.356 1.00 0.00 C ATOM 194 O HIS A 15 5.494 2.875 11.557 1.00 0.00 O ATOM 195 CB HIS A 15 5.421 1.321 9.072 1.00 0.00 C ATOM 196 CG HIS A 15 5.960 -0.058 9.300 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.915 -1.166 8.523 1.00 0.00 N flip ATOM 198 CD2 HIS A 15 6.640 -0.421 10.443 1.00 0.00 C flip ATOM 199 CE1 HIS A 15 6.563 -2.167 9.204 1.00 0.00 C flip ATOM 200 NE2 HIS A 15 6.991 -1.692 10.360 1.00 0.00 N flip ATOM 0 H HIS A 15 3.748 3.681 9.664 1.00 0.00 H new ATOM 0 HA HIS A 15 3.552 0.782 9.983 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.148 1.427 8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.209 2.048 9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.853 0.232 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.700 -3.179 8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.505 -2.217 11.068 1.00 0.00 H new ATOM 209 N ARG A 16 4.093 1.294 12.335 1.00 0.00 N ATOM 210 CA ARG A 16 4.435 1.525 13.733 1.00 0.00 C ATOM 211 C ARG A 16 4.304 3.003 14.088 1.00 0.00 C ATOM 212 O ARG A 16 5.139 3.557 14.802 1.00 0.00 O ATOM 213 CB ARG A 16 5.859 1.045 14.018 1.00 0.00 C ATOM 214 CG ARG A 16 5.935 -0.404 14.471 1.00 0.00 C ATOM 215 CD ARG A 16 6.084 -1.349 13.290 1.00 0.00 C ATOM 216 NE ARG A 16 5.491 -2.657 13.557 1.00 0.00 N ATOM 217 CZ ARG A 16 4.204 -2.931 13.377 1.00 0.00 C ATOM 218 NH1 ARG A 16 3.379 -1.993 12.931 1.00 0.00 N ATOM 219 NH2 ARG A 16 3.739 -4.145 13.642 1.00 0.00 N ATOM 0 H ARG A 16 3.399 0.562 12.186 1.00 0.00 H new ATOM 0 HA ARG A 16 3.738 0.958 14.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.461 1.167 13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.301 1.680 14.786 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.779 -0.531 15.149 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.035 -0.659 15.031 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.611 -0.909 12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.141 -1.472 13.055 1.00 0.00 H new ATOM 0 HE ARG A 16 6.099 -3.401 13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.733 -1.059 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.391 -2.206 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.370 -4.869 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.750 -4.354 13.503 1.00 0.00 H new ATOM 233 N GLY A 17 3.249 3.637 13.584 1.00 0.00 N ATOM 234 CA GLY A 17 3.029 5.045 13.858 1.00 0.00 C ATOM 235 C GLY A 17 3.621 5.943 12.790 1.00 0.00 C ATOM 236 O GLY A 17 3.055 6.985 12.463 1.00 0.00 O ATOM 0 H GLY A 17 2.543 3.200 12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.958 5.234 13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.467 5.297 14.824 1.00 0.00 H new ATOM 240 N GLU A 18 4.764 5.538 12.246 1.00 0.00 N ATOM 241 CA GLU A 18 5.434 6.317 11.211 1.00 0.00 C ATOM 242 C GLU A 18 4.555 6.441 9.969 1.00 0.00 C ATOM 243 O GLU A 18 3.742 5.563 9.679 1.00 0.00 O ATOM 244 CB GLU A 18 6.771 5.670 10.840 1.00 0.00 C ATOM 245 CG GLU A 18 7.897 6.005 11.804 1.00 0.00 C ATOM 246 CD GLU A 18 9.258 6.000 11.135 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.377 6.563 10.027 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.204 5.432 11.721 1.00 0.00 O ATOM 0 H GLU A 18 5.245 4.676 12.504 1.00 0.00 H new ATOM 0 HA GLU A 18 5.619 7.316 11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.644 4.588 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.055 5.991 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.715 6.986 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.896 5.285 12.623 1.00 0.00 H new ATOM 255 N LYS A 19 4.724 7.539 9.240 1.00 0.00 N ATOM 256 CA LYS A 19 3.948 7.781 8.029 1.00 0.00 C ATOM 257 C LYS A 19 4.854 8.210 6.879 1.00 0.00 C ATOM 258 O LYS A 19 5.886 8.845 7.094 1.00 0.00 O ATOM 259 CB LYS A 19 2.887 8.853 8.284 1.00 0.00 C ATOM 260 CG LYS A 19 1.899 8.483 9.377 1.00 0.00 C ATOM 261 CD LYS A 19 2.367 8.966 10.739 1.00 0.00 C ATOM 262 CE LYS A 19 2.225 10.474 10.876 1.00 0.00 C ATOM 263 NZ LYS A 19 2.383 10.921 12.287 1.00 0.00 N ATOM 0 H LYS A 19 5.392 8.276 9.467 1.00 0.00 H new ATOM 0 HA LYS A 19 3.455 6.850 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.382 9.786 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.340 9.039 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.925 8.918 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.768 7.401 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.788 8.473 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.409 8.683 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.972 10.967 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.247 10.782 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.279 11.955 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.655 10.471 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.326 10.650 12.633 1.00 0.00 H new ATOM 277 N ARG A 20 4.460 7.860 5.659 1.00 0.00 N ATOM 278 CA ARG A 20 5.236 8.210 4.476 1.00 0.00 C ATOM 279 C ARG A 20 4.323 8.431 3.273 1.00 0.00 C ATOM 280 O ARG A 20 3.644 7.510 2.819 1.00 0.00 O ATOM 281 CB ARG A 20 6.252 7.109 4.163 1.00 0.00 C ATOM 282 CG ARG A 20 7.600 7.317 4.833 1.00 0.00 C ATOM 283 CD ARG A 20 8.304 8.554 4.299 1.00 0.00 C ATOM 284 NE ARG A 20 9.726 8.561 4.630 1.00 0.00 N ATOM 285 CZ ARG A 20 10.537 9.580 4.366 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.068 10.668 3.770 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.820 9.511 4.699 1.00 0.00 N ATOM 0 H ARG A 20 3.608 7.334 5.464 1.00 0.00 H new ATOM 0 HA ARG A 20 5.768 9.139 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.843 6.149 4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.396 7.055 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.461 7.413 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.228 6.441 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.184 8.600 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.832 9.446 4.711 1.00 0.00 H new ATOM 0 HE ARG A 20 10.118 7.739 5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.082 10.724 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.693 11.449 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.184 8.676 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.442 10.293 4.496 1.00 0.00 H new ATOM 301 N ILE A 21 4.313 9.658 2.763 1.00 0.00 N ATOM 302 CA ILE A 21 3.485 10.000 1.613 1.00 0.00 C ATOM 303 C ILE A 21 4.253 9.817 0.309 1.00 0.00 C ATOM 304 O ILE A 21 5.445 10.118 0.230 1.00 0.00 O ATOM 305 CB ILE A 21 2.976 11.452 1.698 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.776 11.540 2.643 1.00 0.00 C ATOM 307 CG2 ILE A 21 2.607 11.964 0.314 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.495 11.002 2.045 1.00 0.00 C ATOM 0 H ILE A 21 4.869 10.432 3.128 1.00 0.00 H new ATOM 0 HA ILE A 21 2.631 9.323 1.626 1.00 0.00 H new ATOM 0 HB ILE A 21 3.774 12.080 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.001 10.988 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.625 12.581 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.249 12.991 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.485 11.932 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.822 11.336 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.313 11.096 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.246 11.569 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.628 9.952 1.785 1.00 0.00 H new ATOM 320 N LEU A 22 3.563 9.324 -0.713 1.00 0.00 N ATOM 321 CA LEU A 22 4.179 9.103 -2.017 1.00 0.00 C ATOM 322 C LEU A 22 3.297 9.648 -3.136 1.00 0.00 C ATOM 323 O LEU A 22 2.128 9.964 -2.919 1.00 0.00 O ATOM 324 CB LEU A 22 4.435 7.610 -2.235 1.00 0.00 C ATOM 325 CG LEU A 22 5.742 7.063 -1.660 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.654 6.952 -0.146 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.070 5.711 -2.277 1.00 0.00 C ATOM 0 H LEU A 22 2.576 9.070 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 22 5.130 9.636 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.607 7.052 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.422 7.412 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 22 6.545 7.758 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.593 6.561 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.465 7.937 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.840 6.278 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.003 5.336 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.266 5.008 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.176 5.820 -3.356 1.00 0.00 H new ATOM 339 N GLN A 23 3.866 9.753 -4.332 1.00 0.00 N ATOM 340 CA GLN A 23 3.130 10.259 -5.485 1.00 0.00 C ATOM 341 C GLN A 23 3.353 9.371 -6.705 1.00 0.00 C ATOM 342 O GLN A 23 4.471 9.258 -7.208 1.00 0.00 O ATOM 343 CB GLN A 23 3.557 11.694 -5.800 1.00 0.00 C ATOM 344 CG GLN A 23 3.044 12.714 -4.797 1.00 0.00 C ATOM 345 CD GLN A 23 3.177 14.140 -5.295 1.00 0.00 C ATOM 346 OE1 GLN A 23 4.167 14.817 -5.018 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.177 14.604 -6.035 1.00 0.00 N ATOM 0 H GLN A 23 4.833 9.495 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 23 2.068 10.249 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.646 11.742 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.198 11.961 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.997 12.506 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.594 12.607 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.375 14.008 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.211 15.557 -6.398 1.00 0.00 H new ATOM 356 N PHE A 24 2.281 8.742 -7.177 1.00 0.00 N ATOM 357 CA PHE A 24 2.360 7.863 -8.337 1.00 0.00 C ATOM 358 C PHE A 24 1.382 8.305 -9.422 1.00 0.00 C ATOM 359 O PHE A 24 0.164 8.207 -9.272 1.00 0.00 O ATOM 360 CB PHE A 24 2.067 6.417 -7.929 1.00 0.00 C ATOM 361 CG PHE A 24 3.023 5.879 -6.903 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.774 6.046 -5.550 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.169 5.205 -7.292 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.653 5.552 -4.605 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.051 4.708 -6.350 1.00 0.00 C ATOM 366 CZ PHE A 24 4.792 4.881 -5.005 1.00 0.00 C ATOM 0 H PHE A 24 1.348 8.825 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 24 3.372 7.922 -8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.052 6.357 -7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.103 5.783 -8.815 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.884 6.568 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.376 5.066 -8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.449 5.691 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.942 4.185 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.478 4.493 -4.267 1.00 0.00 H new ATOM 376 N PRO A 25 1.927 8.803 -10.542 1.00 0.00 N ATOM 377 CA PRO A 25 1.121 9.271 -11.674 1.00 0.00 C ATOM 378 C PRO A 25 0.429 8.126 -12.404 1.00 0.00 C ATOM 379 O PRO A 25 1.077 7.322 -13.074 1.00 0.00 O ATOM 380 CB PRO A 25 2.150 9.943 -12.587 1.00 0.00 C ATOM 381 CG PRO A 25 3.442 9.282 -12.253 1.00 0.00 C ATOM 382 CD PRO A 25 3.371 8.949 -10.789 1.00 0.00 C ATOM 0 HA PRO A 25 0.316 9.933 -11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.896 9.806 -13.638 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.197 11.017 -12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.586 8.382 -12.851 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.284 9.942 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.913 8.032 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.806 9.738 -10.176 1.00 0.00 H new ATOM 390 N ARG A 26 -0.892 8.058 -12.271 1.00 0.00 N ATOM 391 CA ARG A 26 -1.672 7.010 -12.918 1.00 0.00 C ATOM 392 C ARG A 26 -1.307 6.894 -14.395 1.00 0.00 C ATOM 393 O ARG A 26 -0.974 7.878 -15.057 1.00 0.00 O ATOM 394 CB ARG A 26 -3.168 7.296 -12.773 1.00 0.00 C ATOM 395 CG ARG A 26 -3.707 7.025 -11.377 1.00 0.00 C ATOM 396 CD ARG A 26 -5.189 7.352 -11.279 1.00 0.00 C ATOM 397 NE ARG A 26 -5.430 8.791 -11.240 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.524 9.339 -10.722 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.473 8.571 -10.204 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.672 10.658 -10.723 1.00 0.00 N ATOM 0 H ARG A 26 -1.444 8.716 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.440 6.064 -12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.357 8.338 -13.030 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.717 6.686 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.547 5.978 -11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.153 7.619 -10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.713 6.920 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.604 6.891 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.720 9.410 -11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.364 7.557 -10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.312 8.994 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.945 11.252 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.512 11.077 -10.325 1.00 0.00 H new ATOM 414 N PRO A 27 -1.371 5.664 -14.926 1.00 0.00 N ATOM 415 CA PRO A 27 -1.766 4.486 -14.148 1.00 0.00 C ATOM 416 C PRO A 27 -0.714 4.093 -13.116 1.00 0.00 C ATOM 417 O PRO A 27 0.473 4.003 -13.429 1.00 0.00 O ATOM 418 CB PRO A 27 -1.909 3.392 -15.210 1.00 0.00 C ATOM 419 CG PRO A 27 -1.018 3.825 -16.322 1.00 0.00 C ATOM 420 CD PRO A 27 -1.061 5.328 -16.326 1.00 0.00 C ATOM 0 HA PRO A 27 -2.675 4.663 -13.573 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.610 2.419 -14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.942 3.297 -15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.001 3.464 -16.170 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.360 3.422 -17.275 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.109 5.756 -16.641 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.822 5.706 -17.008 1.00 0.00 H new ATOM 428 N VAL A 28 -1.158 3.859 -11.885 1.00 0.00 N ATOM 429 CA VAL A 28 -0.255 3.474 -10.808 1.00 0.00 C ATOM 430 C VAL A 28 0.171 2.017 -10.942 1.00 0.00 C ATOM 431 O VAL A 28 -0.613 1.165 -11.361 1.00 0.00 O ATOM 432 CB VAL A 28 -0.908 3.681 -9.428 1.00 0.00 C ATOM 433 CG1 VAL A 28 0.071 3.334 -8.316 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.405 5.112 -9.283 1.00 0.00 C ATOM 0 H VAL A 28 -2.138 3.929 -11.609 1.00 0.00 H new ATOM 0 HA VAL A 28 0.623 4.115 -10.887 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.765 3.012 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.408 3.486 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.374 2.291 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.949 3.975 -8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.863 5.240 -8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.566 5.801 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.142 5.321 -10.058 1.00 0.00 H new ATOM 444 N LYS A 29 1.419 1.736 -10.584 1.00 0.00 N ATOM 445 CA LYS A 29 1.952 0.381 -10.662 1.00 0.00 C ATOM 446 C LYS A 29 2.128 -0.216 -9.270 1.00 0.00 C ATOM 447 O LYS A 29 2.842 0.337 -8.432 1.00 0.00 O ATOM 448 CB LYS A 29 3.291 0.379 -11.403 1.00 0.00 C ATOM 449 CG LYS A 29 3.209 0.946 -12.809 1.00 0.00 C ATOM 450 CD LYS A 29 2.618 -0.061 -13.782 1.00 0.00 C ATOM 451 CE LYS A 29 1.925 0.631 -14.946 1.00 0.00 C ATOM 452 NZ LYS A 29 2.902 1.160 -15.938 1.00 0.00 N ATOM 0 H LYS A 29 2.081 2.430 -10.236 1.00 0.00 H new ATOM 0 HA LYS A 29 1.238 -0.232 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.015 0.957 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.667 -0.643 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.599 1.849 -12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.205 1.236 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.408 -0.710 -14.161 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.905 -0.699 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.252 -0.072 -15.438 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.311 1.449 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.390 1.624 -16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.528 1.850 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.471 0.376 -16.317 1.00 0.00 H new ATOM 466 N LEU A 30 1.475 -1.348 -9.029 1.00 0.00 N ATOM 467 CA LEU A 30 1.561 -2.021 -7.738 1.00 0.00 C ATOM 468 C LEU A 30 3.015 -2.193 -7.309 1.00 0.00 C ATOM 469 O LEU A 30 3.360 -1.972 -6.149 1.00 0.00 O ATOM 470 CB LEU A 30 0.872 -3.385 -7.804 1.00 0.00 C ATOM 471 CG LEU A 30 1.001 -4.264 -6.560 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.302 -3.617 -5.374 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.433 -5.650 -6.825 1.00 0.00 C ATOM 0 H LEU A 30 0.880 -1.819 -9.711 1.00 0.00 H new ATOM 0 HA LEU A 30 1.054 -1.401 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.188 -3.225 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.277 -3.933 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 30 2.059 -4.367 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.404 -4.257 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.755 -2.647 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.755 -3.483 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.533 -6.262 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.621 -5.567 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.979 -6.116 -7.645 1.00 0.00 H new ATOM 485 N GLU A 31 3.862 -2.588 -8.254 1.00 0.00 N ATOM 486 CA GLU A 31 5.279 -2.788 -7.973 1.00 0.00 C ATOM 487 C GLU A 31 5.944 -1.476 -7.568 1.00 0.00 C ATOM 488 O GLU A 31 6.784 -1.446 -6.668 1.00 0.00 O ATOM 489 CB GLU A 31 5.986 -3.374 -9.197 1.00 0.00 C ATOM 490 CG GLU A 31 6.388 -2.330 -10.226 1.00 0.00 C ATOM 491 CD GLU A 31 7.146 -2.926 -11.396 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.491 -3.406 -12.345 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.394 -2.910 -11.363 1.00 0.00 O ATOM 0 H GLU A 31 3.592 -2.776 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 31 5.363 -3.489 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.876 -3.911 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.330 -4.104 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.495 -1.826 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.006 -1.571 -9.746 1.00 0.00 H new ATOM 500 N ASP A 32 5.563 -0.395 -8.238 1.00 0.00 N ATOM 501 CA ASP A 32 6.121 0.921 -7.948 1.00 0.00 C ATOM 502 C ASP A 32 5.893 1.298 -6.487 1.00 0.00 C ATOM 503 O ASP A 32 6.818 1.722 -5.793 1.00 0.00 O ATOM 504 CB ASP A 32 5.498 1.976 -8.863 1.00 0.00 C ATOM 505 CG ASP A 32 6.176 2.041 -10.217 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.378 0.973 -10.832 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.504 3.161 -10.663 1.00 0.00 O ATOM 0 H ASP A 32 4.870 -0.403 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 32 7.195 0.881 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.440 1.754 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.560 2.952 -8.382 1.00 0.00 H new ATOM 512 N LEU A 33 4.657 1.142 -6.027 1.00 0.00 N ATOM 513 CA LEU A 33 4.306 1.466 -4.649 1.00 0.00 C ATOM 514 C LEU A 33 5.232 0.753 -3.669 1.00 0.00 C ATOM 515 O LEU A 33 5.773 1.368 -2.750 1.00 0.00 O ATOM 516 CB LEU A 33 2.852 1.082 -4.368 1.00 0.00 C ATOM 517 CG LEU A 33 1.794 2.100 -4.795 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.491 1.399 -5.148 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.568 3.127 -3.695 1.00 0.00 C ATOM 0 H LEU A 33 3.880 0.793 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 33 4.423 2.541 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.643 0.138 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.745 0.904 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 33 2.155 2.620 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.250 2.139 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.663 0.703 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.125 0.852 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.812 3.844 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.229 2.622 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.501 3.652 -3.490 1.00 0.00 H new ATOM 531 N ARG A 34 5.410 -0.548 -3.873 1.00 0.00 N ATOM 532 CA ARG A 34 6.272 -1.346 -3.008 1.00 0.00 C ATOM 533 C ARG A 34 7.717 -0.863 -3.085 1.00 0.00 C ATOM 534 O ARG A 34 8.334 -0.552 -2.066 1.00 0.00 O ATOM 535 CB ARG A 34 6.194 -2.823 -3.397 1.00 0.00 C ATOM 536 CG ARG A 34 4.775 -3.365 -3.455 1.00 0.00 C ATOM 537 CD ARG A 34 4.757 -4.841 -3.817 1.00 0.00 C ATOM 538 NE ARG A 34 5.411 -5.662 -2.802 1.00 0.00 N ATOM 539 CZ ARG A 34 5.152 -6.952 -2.620 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.257 -7.565 -3.382 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.789 -7.632 -1.675 1.00 0.00 N ATOM 0 H ARG A 34 4.969 -1.072 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 34 5.923 -1.229 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.665 -2.959 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.769 -3.409 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.289 -3.220 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.199 -2.802 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.726 -5.171 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.255 -4.985 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 34 6.105 -5.220 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.766 -7.046 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.060 -8.556 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.479 -7.164 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.589 -8.623 -1.537 1.00 0.00 H new ATOM 555 N SER A 35 8.251 -0.804 -4.301 1.00 0.00 N ATOM 556 CA SER A 35 9.625 -0.364 -4.512 1.00 0.00 C ATOM 557 C SER A 35 9.928 0.884 -3.687 1.00 0.00 C ATOM 558 O SER A 35 10.860 0.901 -2.883 1.00 0.00 O ATOM 559 CB SER A 35 9.871 -0.081 -5.995 1.00 0.00 C ATOM 560 OG SER A 35 11.232 -0.282 -6.334 1.00 0.00 O ATOM 0 H SER A 35 7.753 -1.055 -5.155 1.00 0.00 H new ATOM 0 HA SER A 35 10.290 -1.164 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.242 -0.732 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.583 0.945 -6.225 1.00 0.00 H new ATOM 0 HG SER A 35 11.363 -0.096 -7.287 1.00 0.00 H new ATOM 566 N LYS A 36 9.133 1.929 -3.894 1.00 0.00 N ATOM 567 CA LYS A 36 9.313 3.182 -3.170 1.00 0.00 C ATOM 568 C LYS A 36 9.332 2.943 -1.664 1.00 0.00 C ATOM 569 O LYS A 36 10.343 3.176 -1.002 1.00 0.00 O ATOM 570 CB LYS A 36 8.196 4.165 -3.527 1.00 0.00 C ATOM 571 CG LYS A 36 8.132 4.502 -5.007 1.00 0.00 C ATOM 572 CD LYS A 36 9.334 5.322 -5.445 1.00 0.00 C ATOM 573 CE LYS A 36 9.341 6.694 -4.790 1.00 0.00 C ATOM 574 NZ LYS A 36 10.075 6.687 -3.494 1.00 0.00 N ATOM 0 H LYS A 36 8.358 1.933 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 36 10.272 3.608 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.240 3.743 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.338 5.085 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.087 3.581 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.217 5.056 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.251 4.791 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.323 5.435 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.802 7.416 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.315 7.022 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.409 6.873 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.521 5.758 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.808 7.425 -3.506 1.00 0.00 H new ATOM 588 N ALA A 37 8.209 2.475 -1.129 1.00 0.00 N ATOM 589 CA ALA A 37 8.099 2.201 0.298 1.00 0.00 C ATOM 590 C ALA A 37 9.348 1.500 0.821 1.00 0.00 C ATOM 591 O ALA A 37 9.784 1.741 1.947 1.00 0.00 O ATOM 592 CB ALA A 37 6.863 1.361 0.581 1.00 0.00 C ATOM 0 H ALA A 37 7.363 2.278 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 37 8.004 3.154 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.794 1.164 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.974 1.900 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.934 0.416 0.042 1.00 0.00 H new ATOM 598 N LYS A 38 9.922 0.630 -0.004 1.00 0.00 N ATOM 599 CA LYS A 38 11.122 -0.107 0.373 1.00 0.00 C ATOM 600 C LYS A 38 12.331 0.821 0.443 1.00 0.00 C ATOM 601 O LYS A 38 13.185 0.677 1.318 1.00 0.00 O ATOM 602 CB LYS A 38 11.388 -1.235 -0.626 1.00 0.00 C ATOM 603 CG LYS A 38 12.428 -2.235 -0.151 1.00 0.00 C ATOM 604 CD LYS A 38 12.645 -3.340 -1.170 1.00 0.00 C ATOM 605 CE LYS A 38 13.745 -2.981 -2.157 1.00 0.00 C ATOM 606 NZ LYS A 38 13.590 -3.707 -3.449 1.00 0.00 N ATOM 0 H LYS A 38 9.574 0.418 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 38 10.959 -0.537 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.454 -1.761 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.717 -0.802 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.371 -1.720 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.110 -2.670 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.905 -4.265 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.717 -3.526 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.732 -1.907 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.716 -3.218 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.945 -3.113 -4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.132 -4.594 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.585 -3.921 -3.609 1.00 0.00 H new ATOM 620 N ILE A 39 12.394 1.773 -0.482 1.00 0.00 N ATOM 621 CA ILE A 39 13.497 2.725 -0.523 1.00 0.00 C ATOM 622 C ILE A 39 13.370 3.762 0.588 1.00 0.00 C ATOM 623 O ILE A 39 14.363 4.162 1.195 1.00 0.00 O ATOM 624 CB ILE A 39 13.565 3.450 -1.880 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.738 2.438 -3.015 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.703 4.460 -1.885 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.133 2.891 -4.325 1.00 0.00 C ATOM 0 H ILE A 39 11.695 1.905 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 39 14.413 2.152 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 39 12.629 3.986 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.801 2.247 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.282 1.493 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.738 4.964 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.540 5.196 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.648 3.945 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.293 2.125 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.063 3.055 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.606 3.820 -4.642 1.00 0.00 H new ATOM 639 N ALA A 40 12.140 4.192 0.851 1.00 0.00 N ATOM 640 CA ALA A 40 11.881 5.179 1.892 1.00 0.00 C ATOM 641 C ALA A 40 12.319 4.663 3.258 1.00 0.00 C ATOM 642 O ALA A 40 13.065 5.330 3.976 1.00 0.00 O ATOM 643 CB ALA A 40 10.406 5.550 1.913 1.00 0.00 C ATOM 0 H ALA A 40 11.307 3.872 0.357 1.00 0.00 H new ATOM 0 HA ALA A 40 12.465 6.071 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.227 6.288 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.122 5.969 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.810 4.659 2.111 1.00 0.00 H new ATOM 649 N PHE A 41 11.849 3.471 3.614 1.00 0.00 N ATOM 650 CA PHE A 41 12.191 2.866 4.896 1.00 0.00 C ATOM 651 C PHE A 41 13.482 2.061 4.790 1.00 0.00 C ATOM 652 O PHE A 41 14.284 2.027 5.723 1.00 0.00 O ATOM 653 CB PHE A 41 11.052 1.965 5.378 1.00 0.00 C ATOM 654 CG PHE A 41 9.873 2.725 5.916 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.032 3.419 5.061 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.607 2.745 7.275 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.945 4.118 5.553 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.522 3.443 7.772 1.00 0.00 C ATOM 659 CZ PHE A 41 7.691 4.131 6.910 1.00 0.00 C ATOM 0 H PHE A 41 11.230 2.906 3.033 1.00 0.00 H new ATOM 0 HA PHE A 41 12.342 3.667 5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.722 1.336 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.430 1.299 6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.228 3.414 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.254 2.210 7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.295 4.653 4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.324 3.450 8.834 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.844 4.678 7.297 1.00 0.00 H new ATOM 669 N GLY A 42 13.676 1.411 3.646 1.00 0.00 N ATOM 670 CA GLY A 42 14.871 0.613 3.439 1.00 0.00 C ATOM 671 C GLY A 42 14.671 -0.840 3.821 1.00 0.00 C ATOM 672 O GLY A 42 15.626 -1.532 4.173 1.00 0.00 O ATOM 0 H GLY A 42 13.027 1.423 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.167 0.673 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.689 1.030 4.026 1.00 0.00 H new ATOM 676 N GLN A 43 13.427 -1.302 3.753 1.00 0.00 N ATOM 677 CA GLN A 43 13.105 -2.682 4.097 1.00 0.00 C ATOM 678 C GLN A 43 11.880 -3.164 3.327 1.00 0.00 C ATOM 679 O GLN A 43 10.979 -2.383 3.023 1.00 0.00 O ATOM 680 CB GLN A 43 12.860 -2.811 5.602 1.00 0.00 C ATOM 681 CG GLN A 43 14.111 -3.152 6.395 1.00 0.00 C ATOM 682 CD GLN A 43 14.079 -2.594 7.804 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.675 -1.553 8.086 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.382 -3.283 8.699 1.00 0.00 N ATOM 0 H GLN A 43 12.626 -0.741 3.463 1.00 0.00 H new ATOM 0 HA GLN A 43 13.954 -3.306 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.447 -1.874 5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.109 -3.582 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.224 -4.235 6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.985 -2.762 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.903 -4.140 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.325 -2.955 9.663 1.00 0.00 H new ATOM 693 N SER A 44 11.854 -4.456 3.015 1.00 0.00 N ATOM 694 CA SER A 44 10.742 -5.041 2.276 1.00 0.00 C ATOM 695 C SER A 44 9.525 -5.221 3.179 1.00 0.00 C ATOM 696 O SER A 44 9.587 -5.919 4.191 1.00 0.00 O ATOM 697 CB SER A 44 11.151 -6.389 1.679 1.00 0.00 C ATOM 698 OG SER A 44 12.005 -6.213 0.562 1.00 0.00 O ATOM 0 H SER A 44 12.590 -5.117 3.263 1.00 0.00 H new ATOM 0 HA SER A 44 10.477 -4.359 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.657 -6.988 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.261 -6.942 1.377 1.00 0.00 H new ATOM 0 HG SER A 44 11.769 -6.860 -0.135 1.00 0.00 H new ATOM 704 N MET A 45 8.419 -4.586 2.805 1.00 0.00 N ATOM 705 CA MET A 45 7.187 -4.676 3.580 1.00 0.00 C ATOM 706 C MET A 45 5.970 -4.729 2.662 1.00 0.00 C ATOM 707 O MET A 45 5.989 -4.183 1.559 1.00 0.00 O ATOM 708 CB MET A 45 7.070 -3.484 4.533 1.00 0.00 C ATOM 709 CG MET A 45 7.428 -2.154 3.889 1.00 0.00 C ATOM 710 SD MET A 45 7.885 -0.898 5.099 1.00 0.00 S ATOM 711 CE MET A 45 9.182 -1.747 5.997 1.00 0.00 C ATOM 0 H MET A 45 8.351 -4.004 1.970 1.00 0.00 H new ATOM 0 HA MET A 45 7.221 -5.596 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.050 -3.432 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.721 -3.650 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.255 -2.302 3.194 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.580 -1.798 3.304 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.995 -1.052 6.206 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.783 -2.131 6.936 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.558 -2.575 5.397 1.00 0.00 H new ATOM 721 N ASP A 46 4.915 -5.389 3.124 1.00 0.00 N ATOM 722 CA ASP A 46 3.688 -5.513 2.345 1.00 0.00 C ATOM 723 C ASP A 46 2.882 -4.219 2.391 1.00 0.00 C ATOM 724 O ASP A 46 3.114 -3.360 3.244 1.00 0.00 O ATOM 725 CB ASP A 46 2.842 -6.675 2.867 1.00 0.00 C ATOM 726 CG ASP A 46 3.184 -7.989 2.193 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.730 -7.955 1.070 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.906 -9.052 2.788 1.00 0.00 O ATOM 0 H ASP A 46 4.884 -5.847 4.035 1.00 0.00 H new ATOM 0 HA ASP A 46 3.963 -5.712 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.989 -6.773 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.787 -6.452 2.708 1.00 0.00 H new ATOM 733 N LEU A 47 1.935 -4.085 1.470 1.00 0.00 N ATOM 734 CA LEU A 47 1.094 -2.894 1.405 1.00 0.00 C ATOM 735 C LEU A 47 -0.372 -3.250 1.634 1.00 0.00 C ATOM 736 O LEU A 47 -1.044 -3.764 0.739 1.00 0.00 O ATOM 737 CB LEU A 47 1.257 -2.204 0.050 1.00 0.00 C ATOM 738 CG LEU A 47 2.423 -1.221 -0.067 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.750 -1.944 0.111 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.382 -0.501 -1.406 1.00 0.00 C ATOM 0 H LEU A 47 1.730 -4.786 0.758 1.00 0.00 H new ATOM 0 HA LEU A 47 1.411 -2.212 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.377 -2.972 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.334 -1.670 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 47 2.328 -0.478 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.568 -1.229 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.780 -2.413 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.854 -2.709 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.219 0.194 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.452 -1.230 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.445 0.050 -1.495 1.00 0.00 H new ATOM 752 N HIS A 48 -0.862 -2.970 2.837 1.00 0.00 N ATOM 753 CA HIS A 48 -2.250 -3.258 3.183 1.00 0.00 C ATOM 754 C HIS A 48 -3.070 -1.974 3.253 1.00 0.00 C ATOM 755 O HIS A 48 -2.890 -1.159 4.159 1.00 0.00 O ATOM 756 CB HIS A 48 -2.322 -3.997 4.520 1.00 0.00 C ATOM 757 CG HIS A 48 -1.806 -5.401 4.456 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.655 -5.751 3.781 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.289 -6.547 4.991 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.454 -7.051 3.902 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.431 -7.558 4.632 1.00 0.00 N ATOM 0 H HIS A 48 -0.319 -2.544 3.589 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.669 -3.893 2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.750 -3.442 5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.357 -4.014 4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.183 -6.648 5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.369 -7.605 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.532 -8.540 4.888 1.00 0.00 H new ATOM 770 N TYR A 49 -3.970 -1.799 2.291 1.00 0.00 N ATOM 771 CA TYR A 49 -4.815 -0.612 2.243 1.00 0.00 C ATOM 772 C TYR A 49 -6.231 -0.932 2.710 1.00 0.00 C ATOM 773 O TYR A 49 -6.824 -1.930 2.299 1.00 0.00 O ATOM 774 CB TYR A 49 -4.851 -0.044 0.823 1.00 0.00 C ATOM 775 CG TYR A 49 -6.057 -0.485 0.024 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.090 -1.732 -0.588 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.162 0.345 -0.119 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.189 -2.140 -1.318 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.266 -0.055 -0.847 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.275 -1.298 -1.445 1.00 0.00 C ATOM 781 OH TYR A 49 -9.372 -1.700 -2.172 1.00 0.00 O ATOM 0 H TYR A 49 -4.133 -2.464 1.535 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.390 0.133 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.839 1.045 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.946 -0.347 0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.242 -2.393 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.158 1.319 0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.199 -3.113 -1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.117 0.602 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.185 -1.559 -1.643 1.00 0.00 H new ATOM 791 N THR A 50 -6.770 -0.077 3.575 1.00 0.00 N ATOM 792 CA THR A 50 -8.116 -0.267 4.100 1.00 0.00 C ATOM 793 C THR A 50 -9.107 0.676 3.427 1.00 0.00 C ATOM 794 O THR A 50 -8.813 1.851 3.214 1.00 0.00 O ATOM 795 CB THR A 50 -8.161 -0.039 5.623 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.960 1.348 5.917 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.100 -0.872 6.327 1.00 0.00 C ATOM 0 H THR A 50 -6.294 0.754 3.926 1.00 0.00 H new ATOM 0 HA THR A 50 -8.397 -1.298 3.885 1.00 0.00 H new ATOM 0 HB THR A 50 -9.141 -0.348 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.992 1.485 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.151 -0.694 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.274 -1.929 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.113 -0.590 5.959 1.00 0.00 H new ATOM 805 N ASN A 51 -10.282 0.152 3.095 1.00 0.00 N ATOM 806 CA ASN A 51 -11.318 0.947 2.445 1.00 0.00 C ATOM 807 C ASN A 51 -12.189 1.654 3.479 1.00 0.00 C ATOM 808 O ASN A 51 -12.103 2.870 3.651 1.00 0.00 O ATOM 809 CB ASN A 51 -12.186 0.060 1.551 1.00 0.00 C ATOM 810 CG ASN A 51 -13.516 0.706 1.212 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.715 1.899 1.440 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.434 -0.082 0.666 1.00 0.00 N ATOM 0 H ASN A 51 -10.541 -0.820 3.265 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.829 1.702 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.647 -0.161 0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.365 -0.892 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.348 0.296 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.225 -1.066 0.495 1.00 0.00 H new ATOM 819 N ASN A 52 -13.027 0.884 4.165 1.00 0.00 N ATOM 820 CA ASN A 52 -13.914 1.436 5.182 1.00 0.00 C ATOM 821 C ASN A 52 -13.643 0.802 6.543 1.00 0.00 C ATOM 822 O ASN A 52 -13.153 1.462 7.459 1.00 0.00 O ATOM 823 CB ASN A 52 -15.376 1.217 4.787 1.00 0.00 C ATOM 824 CG ASN A 52 -16.318 2.161 5.509 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.420 2.136 6.736 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.013 2.999 4.750 1.00 0.00 N ATOM 0 H ASN A 52 -13.110 -0.124 4.035 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.721 2.506 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.483 1.354 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.659 0.188 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.663 3.657 5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.897 2.985 3.737 1.00 0.00 H new ATOM 833 N GLU A 53 -13.964 -0.482 6.666 1.00 0.00 N ATOM 834 CA GLU A 53 -13.755 -1.204 7.915 1.00 0.00 C ATOM 835 C GLU A 53 -13.110 -2.563 7.657 1.00 0.00 C ATOM 836 O GLU A 53 -13.366 -3.531 8.374 1.00 0.00 O ATOM 837 CB GLU A 53 -15.084 -1.390 8.652 1.00 0.00 C ATOM 838 CG GLU A 53 -15.840 -0.092 8.880 1.00 0.00 C ATOM 839 CD GLU A 53 -16.767 -0.160 10.078 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.294 -0.522 11.175 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.966 0.150 9.917 1.00 0.00 O ATOM 0 H GLU A 53 -14.369 -1.043 5.917 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.082 -0.614 8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.714 -2.072 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.893 -1.863 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.126 0.719 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.421 0.147 7.989 1.00 0.00 H new ATOM 848 N LEU A 54 -12.273 -2.627 6.627 1.00 0.00 N ATOM 849 CA LEU A 54 -11.591 -3.866 6.272 1.00 0.00 C ATOM 850 C LEU A 54 -10.182 -3.585 5.761 1.00 0.00 C ATOM 851 O LEU A 54 -9.823 -2.437 5.498 1.00 0.00 O ATOM 852 CB LEU A 54 -12.389 -4.625 5.210 1.00 0.00 C ATOM 853 CG LEU A 54 -13.773 -5.118 5.635 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.715 -5.159 4.442 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.674 -6.490 6.286 1.00 0.00 C ATOM 0 H LEU A 54 -12.051 -1.835 6.023 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.516 -4.480 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.507 -3.977 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.802 -5.485 4.889 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.177 -4.419 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.695 -5.512 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.811 -4.159 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.316 -5.835 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.668 -6.825 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.248 -7.200 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.034 -6.430 7.167 1.00 0.00 H new ATOM 867 N VAL A 55 -9.387 -4.641 5.619 1.00 0.00 N ATOM 868 CA VAL A 55 -8.018 -4.509 5.136 1.00 0.00 C ATOM 869 C VAL A 55 -7.793 -5.350 3.884 1.00 0.00 C ATOM 870 O VAL A 55 -8.194 -6.513 3.825 1.00 0.00 O ATOM 871 CB VAL A 55 -7.000 -4.928 6.212 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.578 -4.738 5.706 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.227 -4.141 7.495 1.00 0.00 C ATOM 0 H VAL A 55 -9.668 -5.598 5.832 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.868 -3.457 4.895 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.144 -5.986 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.873 -5.039 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.424 -5.349 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.417 -3.689 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.499 -4.450 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.111 -3.076 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.234 -4.333 7.866 1.00 0.00 H new ATOM 883 N ILE A 56 -7.149 -4.755 2.886 1.00 0.00 N ATOM 884 CA ILE A 56 -6.870 -5.450 1.636 1.00 0.00 C ATOM 885 C ILE A 56 -5.380 -5.422 1.312 1.00 0.00 C ATOM 886 O ILE A 56 -4.820 -4.391 0.937 1.00 0.00 O ATOM 887 CB ILE A 56 -7.650 -4.832 0.461 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.140 -4.745 0.800 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.436 -5.649 -0.805 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.528 -3.456 1.488 1.00 0.00 C ATOM 0 H ILE A 56 -6.811 -3.793 2.919 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.191 -6.483 1.772 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.276 -3.823 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.720 -4.847 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.408 -5.585 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.994 -5.200 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.375 -5.665 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.786 -6.669 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.598 -3.463 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.975 -3.362 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.291 -2.612 0.840 1.00 0.00 H new ATOM 902 N PRO A 57 -4.720 -6.580 1.459 1.00 0.00 N ATOM 903 CA PRO A 57 -3.286 -6.715 1.186 1.00 0.00 C ATOM 904 C PRO A 57 -2.967 -6.609 -0.302 1.00 0.00 C ATOM 905 O PRO A 57 -3.035 -7.598 -1.033 1.00 0.00 O ATOM 906 CB PRO A 57 -2.956 -8.117 1.705 1.00 0.00 C ATOM 907 CG PRO A 57 -4.245 -8.861 1.633 1.00 0.00 C ATOM 908 CD PRO A 57 -5.323 -7.848 1.904 1.00 0.00 C ATOM 0 HA PRO A 57 -2.705 -5.923 1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.189 -8.594 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.576 -8.082 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.377 -9.319 0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.272 -9.666 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.235 -8.075 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.589 -7.817 2.961 1.00 0.00 H new ATOM 916 N LEU A 58 -2.620 -5.406 -0.743 1.00 0.00 N ATOM 917 CA LEU A 58 -2.289 -5.171 -2.145 1.00 0.00 C ATOM 918 C LEU A 58 -1.167 -6.097 -2.602 1.00 0.00 C ATOM 919 O LEU A 58 0.011 -5.830 -2.362 1.00 0.00 O ATOM 920 CB LEU A 58 -1.880 -3.712 -2.355 1.00 0.00 C ATOM 921 CG LEU A 58 -3.018 -2.690 -2.366 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.537 -1.350 -1.832 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.582 -2.536 -3.771 1.00 0.00 C ATOM 0 H LEU A 58 -2.560 -4.578 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.175 -5.383 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.178 -3.436 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.344 -3.639 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.813 -3.052 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.360 -0.636 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.182 -1.472 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.724 -0.980 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.391 -1.805 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.795 -2.196 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.965 -3.496 -4.116 1.00 0.00 H new ATOM 935 N THR A 59 -1.540 -7.187 -3.266 1.00 0.00 N ATOM 936 CA THR A 59 -0.565 -8.152 -3.759 1.00 0.00 C ATOM 937 C THR A 59 -0.585 -8.225 -5.281 1.00 0.00 C ATOM 938 O THR A 59 0.454 -8.403 -5.919 1.00 0.00 O ATOM 939 CB THR A 59 -0.828 -9.558 -3.186 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.215 -9.889 -3.317 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.419 -9.630 -1.722 1.00 0.00 C ATOM 0 H THR A 59 -2.510 -7.423 -3.475 1.00 0.00 H new ATOM 0 HA THR A 59 0.415 -7.809 -3.427 1.00 0.00 H new ATOM 0 HB THR A 59 -0.230 -10.274 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.373 -10.785 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.614 -10.632 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.644 -9.406 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.994 -8.904 -1.147 1.00 0.00 H new ATOM 949 N THR A 60 -1.773 -8.085 -5.861 1.00 0.00 N ATOM 950 CA THR A 60 -1.928 -8.135 -7.309 1.00 0.00 C ATOM 951 C THR A 60 -2.403 -6.795 -7.858 1.00 0.00 C ATOM 952 O THR A 60 -2.987 -5.990 -7.133 1.00 0.00 O ATOM 953 CB THR A 60 -2.924 -9.232 -7.730 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.204 -8.984 -7.140 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.424 -10.607 -7.311 1.00 0.00 C ATOM 0 H THR A 60 -2.643 -7.936 -5.349 1.00 0.00 H new ATOM 0 HA THR A 60 -0.947 -8.367 -7.724 1.00 0.00 H new ATOM 0 HB THR A 60 -3.015 -9.212 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.085 -8.669 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.144 -11.365 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.463 -10.805 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.307 -10.637 -6.228 1.00 0.00 H new ATOM 963 N GLN A 61 -2.151 -6.564 -9.142 1.00 0.00 N ATOM 964 CA GLN A 61 -2.554 -5.320 -9.787 1.00 0.00 C ATOM 965 C GLN A 61 -4.051 -5.081 -9.621 1.00 0.00 C ATOM 966 O GLN A 61 -4.476 -3.994 -9.228 1.00 0.00 O ATOM 967 CB GLN A 61 -2.193 -5.351 -11.274 1.00 0.00 C ATOM 968 CG GLN A 61 -2.360 -4.009 -11.969 1.00 0.00 C ATOM 969 CD GLN A 61 -1.521 -2.916 -11.336 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.428 -3.171 -10.829 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.030 -1.690 -11.362 1.00 0.00 N ATOM 0 H GLN A 61 -1.670 -7.221 -9.756 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.018 -4.501 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.160 -5.680 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.817 -6.091 -11.776 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.085 -4.111 -13.019 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.410 -3.718 -11.941 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.940 -1.524 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.511 -0.914 -10.951 1.00 0.00 H new ATOM 980 N ASP A 62 -4.846 -6.102 -9.921 1.00 0.00 N ATOM 981 CA ASP A 62 -6.296 -6.003 -9.804 1.00 0.00 C ATOM 982 C ASP A 62 -6.688 -5.234 -8.546 1.00 0.00 C ATOM 983 O ASP A 62 -7.592 -4.399 -8.574 1.00 0.00 O ATOM 984 CB ASP A 62 -6.923 -7.398 -9.780 1.00 0.00 C ATOM 985 CG ASP A 62 -8.354 -7.381 -9.280 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.552 -7.434 -8.048 1.00 0.00 O ATOM 987 OD2 ASP A 62 -9.276 -7.315 -10.120 1.00 0.00 O ATOM 0 H ASP A 62 -4.510 -7.008 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.670 -5.460 -10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.897 -7.822 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.326 -8.050 -9.143 1.00 0.00 H new ATOM 992 N ASP A 63 -6.004 -5.523 -7.445 1.00 0.00 N ATOM 993 CA ASP A 63 -6.280 -4.858 -6.177 1.00 0.00 C ATOM 994 C ASP A 63 -5.966 -3.368 -6.264 1.00 0.00 C ATOM 995 O ASP A 63 -6.801 -2.526 -5.932 1.00 0.00 O ATOM 996 CB ASP A 63 -5.465 -5.499 -5.052 1.00 0.00 C ATOM 997 CG ASP A 63 -6.035 -6.834 -4.613 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.128 -6.843 -4.009 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.388 -7.869 -4.874 1.00 0.00 O ATOM 0 H ASP A 63 -5.254 -6.213 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.341 -4.975 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.437 -5.638 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.434 -4.822 -4.198 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.756 -3.049 -6.711 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.330 -1.660 -6.841 1.00 0.00 C ATOM 1006 C LEU A 64 -5.271 -0.885 -7.758 1.00 0.00 C ATOM 1007 O LEU A 64 -5.820 0.146 -7.372 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.901 -1.593 -7.383 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.427 -0.219 -7.857 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.516 0.796 -6.728 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.004 -0.301 -8.392 1.00 0.00 C ATOM 0 H LEU A 64 -4.053 -3.733 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.359 -1.203 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.222 -1.941 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.816 -2.292 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.080 0.110 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.174 1.768 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.550 0.876 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.888 0.473 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.683 0.686 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.338 -0.652 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.970 -0.996 -9.231 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.453 -1.391 -8.973 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.331 -0.748 -9.944 1.00 0.00 C ATOM 1025 C ASP A 65 -7.718 -0.516 -9.353 1.00 0.00 C ATOM 1026 O ASP A 65 -8.351 0.508 -9.611 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.438 -1.601 -11.209 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.668 -0.766 -12.453 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.456 0.201 -12.381 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.060 -1.078 -13.498 1.00 0.00 O ATOM 0 H ASP A 65 -5.005 -2.244 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.900 0.219 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.524 -2.183 -11.330 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.256 -2.312 -11.096 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.186 -1.475 -8.561 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.498 -1.376 -7.933 1.00 0.00 C ATOM 1037 C LYS A 66 -9.459 -0.430 -6.737 1.00 0.00 C ATOM 1038 O LYS A 66 -10.482 0.127 -6.340 1.00 0.00 O ATOM 1039 CB LYS A 66 -9.978 -2.759 -7.487 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.776 -3.497 -8.548 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.395 -4.770 -7.995 1.00 0.00 C ATOM 1042 CE LYS A 66 -11.794 -5.725 -9.110 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.171 -5.454 -9.607 1.00 0.00 N ATOM 0 H LYS A 66 -7.676 -2.330 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.196 -0.975 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.114 -3.362 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.592 -2.650 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.562 -2.846 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.126 -3.742 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.685 -5.262 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.272 -4.520 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.087 -5.636 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.734 -6.751 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.405 -6.126 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.850 -5.563 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.222 -4.483 -9.976 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.271 -0.253 -6.167 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.099 0.629 -5.019 1.00 0.00 C ATOM 1059 C ALA A 67 -7.971 2.083 -5.458 1.00 0.00 C ATOM 1060 O ALA A 67 -8.470 2.990 -4.791 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.880 0.210 -4.210 1.00 0.00 C ATOM 0 H ALA A 67 -7.414 -0.708 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.985 0.544 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.763 0.877 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.012 -0.813 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.990 0.265 -4.837 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.297 2.300 -6.583 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.103 3.645 -7.112 1.00 0.00 C ATOM 1069 C VAL A 68 -8.394 4.191 -7.713 1.00 0.00 C ATOM 1070 O VAL A 68 -8.688 5.380 -7.599 1.00 0.00 O ATOM 1071 CB VAL A 68 -5.998 3.673 -8.184 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.788 5.089 -8.698 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.703 3.100 -7.629 1.00 0.00 C ATOM 0 H VAL A 68 -6.876 1.561 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.801 4.274 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.313 3.052 -9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.003 5.089 -9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.715 5.458 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.495 5.736 -7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.933 3.128 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.380 3.692 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.866 2.069 -7.316 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.160 3.312 -8.353 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.419 3.707 -8.972 1.00 0.00 C ATOM 1085 C GLU A 69 -11.479 3.997 -7.914 1.00 0.00 C ATOM 1086 O GLU A 69 -12.243 4.956 -8.030 1.00 0.00 O ATOM 1087 CB GLU A 69 -10.914 2.611 -9.918 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.358 1.346 -9.204 1.00 0.00 C ATOM 1089 CD GLU A 69 -11.777 0.250 -10.165 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -10.886 -0.445 -10.696 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.995 0.087 -10.386 1.00 0.00 O ATOM 0 H GLU A 69 -8.930 2.323 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.242 4.618 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.747 2.998 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.118 2.362 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.544 0.982 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.191 1.581 -8.541 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.520 3.161 -6.882 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.486 3.325 -5.802 1.00 0.00 C ATOM 1100 C LEU A 70 -12.175 4.570 -4.977 1.00 0.00 C ATOM 1101 O LEU A 70 -13.079 5.229 -4.462 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.489 2.090 -4.900 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.518 2.119 -3.719 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.055 3.008 -2.609 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.265 0.710 -3.202 1.00 0.00 C ATOM 0 H LEU A 70 -10.895 2.363 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.474 3.444 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.498 1.951 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.260 1.217 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.570 2.534 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.351 3.017 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.184 4.023 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.016 2.623 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.572 0.750 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.206 0.268 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.836 0.102 -3.998 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.890 4.888 -4.858 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.458 6.056 -4.098 1.00 0.00 C ATOM 1119 C LEU A 71 -10.989 7.341 -4.725 1.00 0.00 C ATOM 1120 O LEU A 71 -11.648 8.141 -4.061 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.931 6.104 -4.023 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.314 7.481 -3.775 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.697 7.997 -2.397 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.801 7.422 -3.923 1.00 0.00 C ATOM 0 H LEU A 71 -10.130 4.353 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.862 5.972 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.605 5.433 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.529 5.711 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.705 8.173 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.249 8.978 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.782 8.078 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.335 7.305 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.379 8.411 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.392 6.716 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.546 7.097 -4.932 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.700 7.530 -6.008 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.150 8.716 -6.726 1.00 0.00 C ATOM 1138 C ASP A 72 -12.650 8.926 -6.541 1.00 0.00 C ATOM 1139 O ASP A 72 -13.085 9.964 -6.042 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.820 8.593 -8.214 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.674 9.944 -8.888 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -9.979 10.816 -8.325 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -11.253 10.128 -9.979 1.00 0.00 O ATOM 0 H ASP A 72 -10.156 6.877 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.627 9.580 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.895 8.029 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.606 8.025 -8.712 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.436 7.934 -6.948 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.887 8.012 -6.829 1.00 0.00 C ATOM 1150 C ARG A 73 -15.299 8.337 -5.396 1.00 0.00 C ATOM 1151 O ARG A 73 -16.189 9.155 -5.166 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.527 6.693 -7.268 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.175 5.517 -6.371 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.950 4.268 -6.761 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.353 4.347 -6.362 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.307 3.579 -6.875 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.011 2.680 -7.803 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.561 3.710 -6.460 1.00 0.00 N ATOM 0 H ARG A 73 -13.092 7.068 -7.363 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.237 8.813 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.610 6.813 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.213 6.468 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.105 5.317 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.391 5.772 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.888 4.125 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.490 3.396 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.614 5.029 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.049 2.577 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.746 2.091 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.792 4.401 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.293 3.120 -6.855 1.00 0.00 H new ATOM 1172 N SER A 74 -14.645 7.690 -4.437 1.00 0.00 N ATOM 1173 CA SER A 74 -14.946 7.907 -3.026 1.00 0.00 C ATOM 1174 C SER A 74 -14.904 9.393 -2.684 1.00 0.00 C ATOM 1175 O SER A 74 -13.977 10.104 -3.074 1.00 0.00 O ATOM 1176 CB SER A 74 -13.954 7.141 -2.148 1.00 0.00 C ATOM 1177 OG SER A 74 -14.480 6.933 -0.848 1.00 0.00 O ATOM 0 H SER A 74 -13.904 7.011 -4.611 1.00 0.00 H new ATOM 0 HA SER A 74 -15.953 7.536 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.722 6.180 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.018 7.696 -2.081 1.00 0.00 H new ATOM 0 HG SER A 74 -13.905 6.308 -0.359 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.913 9.854 -1.954 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.992 11.255 -1.558 1.00 0.00 C ATOM 1185 C ILE A 75 -15.285 11.491 -0.227 1.00 0.00 C ATOM 1186 O ILE A 75 -14.407 12.347 -0.122 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.453 11.726 -1.441 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -18.173 11.565 -2.782 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.508 13.173 -0.975 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.674 11.428 -2.650 1.00 0.00 C ATOM 0 H ILE A 75 -16.688 9.278 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.495 11.832 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.960 11.107 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.949 12.426 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.780 10.686 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.548 13.491 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.028 13.260 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.988 13.807 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -20.118 11.318 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.908 10.550 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -20.080 12.317 -2.168 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.673 10.723 0.786 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.075 10.847 2.111 1.00 0.00 C ATOM 1204 C HIS A 76 -13.572 10.592 2.054 1.00 0.00 C ATOM 1205 O HIS A 76 -12.779 11.391 2.551 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.733 9.868 3.084 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.978 8.512 2.496 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.985 8.055 1.715 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.130 7.443 2.692 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.728 6.731 1.454 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.603 6.387 2.055 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.398 10.009 0.715 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.240 11.865 2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.100 9.764 3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.682 10.286 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.221 7.465 3.275 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.345 6.078 0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.173 5.463 2.031 1.00 0.00 H new ATOM 1220 N MET A 77 -13.188 9.475 1.446 1.00 0.00 N ATOM 1221 CA MET A 77 -11.780 9.116 1.324 1.00 0.00 C ATOM 1222 C MET A 77 -11.045 10.099 0.418 1.00 0.00 C ATOM 1223 O MET A 77 -11.446 10.325 -0.724 1.00 0.00 O ATOM 1224 CB MET A 77 -11.639 7.695 0.776 1.00 0.00 C ATOM 1225 CG MET A 77 -10.285 7.065 1.061 1.00 0.00 C ATOM 1226 SD MET A 77 -10.373 5.271 1.218 1.00 0.00 S ATOM 1227 CE MET A 77 -9.290 4.761 -0.115 1.00 0.00 C ATOM 0 H MET A 77 -13.832 8.802 1.030 1.00 0.00 H new ATOM 0 HA MET A 77 -11.332 9.160 2.317 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.420 7.069 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.803 7.712 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.593 7.322 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.879 7.487 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.764 3.851 0.172 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.881 4.572 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.566 5.550 -0.318 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.967 10.680 0.934 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.175 11.638 0.171 1.00 0.00 C ATOM 1239 C LYS A 78 -8.012 10.945 -0.531 1.00 0.00 C ATOM 1240 O LYS A 78 -7.789 11.142 -1.725 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.646 12.741 1.091 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.733 13.650 1.638 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.155 14.946 2.181 1.00 0.00 C ATOM 1244 CE LYS A 78 -10.051 15.550 3.252 1.00 0.00 C ATOM 1245 NZ LYS A 78 -9.991 14.780 4.525 1.00 0.00 N ATOM 0 H LYS A 78 -9.622 10.504 1.878 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.820 12.084 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.114 12.283 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.922 13.344 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.452 13.873 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.277 13.133 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.165 14.758 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.029 15.659 1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.751 16.581 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.080 15.577 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.386 15.354 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.544 13.904 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.002 14.543 4.741 1.00 0.00 H new ATOM 1259 N SER A 79 -7.274 10.132 0.219 1.00 0.00 N ATOM 1260 CA SER A 79 -6.131 9.412 -0.331 1.00 0.00 C ATOM 1261 C SER A 79 -6.254 7.915 -0.064 1.00 0.00 C ATOM 1262 O SER A 79 -7.177 7.467 0.617 1.00 0.00 O ATOM 1263 CB SER A 79 -4.829 9.944 0.269 1.00 0.00 C ATOM 1264 OG SER A 79 -4.794 9.741 1.671 1.00 0.00 O ATOM 0 H SER A 79 -7.447 9.956 1.209 1.00 0.00 H new ATOM 0 HA SER A 79 -6.116 9.571 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.979 9.443 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.731 11.007 0.050 1.00 0.00 H new ATOM 0 HG SER A 79 -4.710 10.606 2.125 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.316 7.145 -0.606 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.316 5.697 -0.427 1.00 0.00 C ATOM 1272 C LEU A 80 -4.457 5.296 0.768 1.00 0.00 C ATOM 1273 O LEU A 80 -3.242 5.142 0.649 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.805 5.007 -1.693 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.764 3.479 -1.654 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.147 2.901 -1.910 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.765 2.947 -2.671 1.00 0.00 C ATOM 0 H LEU A 80 -4.546 7.499 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.341 5.379 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.435 5.312 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.799 5.372 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.442 3.168 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.098 1.813 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.837 3.256 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.499 3.220 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.749 1.858 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.058 3.268 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.772 3.334 -2.442 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.098 5.124 1.919 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.394 4.737 3.136 1.00 0.00 C ATOM 1291 C LYS A 81 -3.706 3.387 2.960 1.00 0.00 C ATOM 1292 O LYS A 81 -4.315 2.427 2.485 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.368 4.675 4.315 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.681 4.572 5.666 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.635 4.900 6.803 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.039 4.534 8.153 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.075 4.479 9.221 1.00 0.00 N ATOM 0 H LYS A 81 -6.104 5.246 2.035 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.632 5.489 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.997 5.565 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.028 3.817 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.287 3.564 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.830 5.253 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.872 5.964 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.572 4.362 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.541 3.567 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.277 5.265 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.628 4.226 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.533 5.409 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.789 3.763 8.976 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.437 3.320 3.347 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.669 2.086 3.234 1.00 0.00 C ATOM 1313 C ILE A 82 -0.990 1.738 4.555 1.00 0.00 C ATOM 1314 O ILE A 82 -0.492 2.617 5.260 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.599 2.188 2.131 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.247 2.544 0.792 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.175 0.883 2.021 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.103 1.435 0.221 1.00 0.00 C ATOM 0 H ILE A 82 -1.919 4.105 3.741 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.375 1.298 2.972 1.00 0.00 H new ATOM 0 HB ILE A 82 0.100 2.981 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.860 3.436 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.466 2.795 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.927 0.971 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.664 0.669 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.511 0.073 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.530 1.757 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.490 0.548 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.906 1.199 0.919 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.972 0.451 4.883 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.352 -0.015 6.119 1.00 0.00 C ATOM 1332 C LEU A 83 0.806 -0.963 5.824 1.00 0.00 C ATOM 1333 O LEU A 83 0.597 -2.124 5.469 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.388 -0.715 7.000 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.468 0.181 7.607 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.879 1.063 8.696 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.127 1.028 6.529 1.00 0.00 C ATOM 0 H LEU A 83 -1.379 -0.289 4.311 1.00 0.00 H new ATOM 0 HA LEU A 83 0.040 0.853 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.877 -1.488 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.864 -1.219 7.812 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.231 -0.455 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.662 1.694 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.456 0.437 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.096 1.691 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.893 1.659 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.376 1.655 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.585 0.377 5.784 1.00 0.00 H new ATOM 1349 N LEU A 84 2.027 -0.462 5.975 1.00 0.00 N ATOM 1350 CA LEU A 84 3.219 -1.265 5.727 1.00 0.00 C ATOM 1351 C LEU A 84 3.451 -2.260 6.859 1.00 0.00 C ATOM 1352 O LEU A 84 3.413 -1.898 8.035 1.00 0.00 O ATOM 1353 CB LEU A 84 4.443 -0.361 5.568 1.00 0.00 C ATOM 1354 CG LEU A 84 4.402 0.625 4.400 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.553 1.616 4.497 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.446 -0.118 3.073 1.00 0.00 C ATOM 0 H LEU A 84 2.217 0.496 6.268 1.00 0.00 H new ATOM 0 HA LEU A 84 3.065 -1.823 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.574 0.205 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.324 -0.993 5.453 1.00 0.00 H new ATOM 0 HG LEU A 84 3.466 1.181 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.508 2.310 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.477 2.172 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.500 1.077 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.416 0.600 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.366 -0.700 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.588 -0.787 3.002 1.00 0.00 H new ATOM 1368 N VAL A 85 3.693 -3.515 6.497 1.00 0.00 N ATOM 1369 CA VAL A 85 3.935 -4.563 7.482 1.00 0.00 C ATOM 1370 C VAL A 85 5.223 -5.319 7.176 1.00 0.00 C ATOM 1371 O VAL A 85 5.518 -5.619 6.019 1.00 0.00 O ATOM 1372 CB VAL A 85 2.765 -5.563 7.536 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.051 -6.666 8.544 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.466 -4.847 7.871 1.00 0.00 C ATOM 0 H VAL A 85 3.727 -3.832 5.528 1.00 0.00 H new ATOM 0 HA VAL A 85 4.028 -4.072 8.451 1.00 0.00 H new ATOM 0 HB VAL A 85 2.657 -6.021 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.213 -7.363 8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.957 -7.198 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.188 -6.229 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.651 -5.569 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.559 -4.359 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.256 -4.098 7.107 1.00 0.00 H new ATOM 1384 N ILE A 86 5.985 -5.624 8.220 1.00 0.00 N ATOM 1385 CA ILE A 86 7.241 -6.347 8.063 1.00 0.00 C ATOM 1386 C ILE A 86 6.998 -7.775 7.588 1.00 0.00 C ATOM 1387 O ILE A 86 6.126 -8.472 8.106 1.00 0.00 O ATOM 1388 CB ILE A 86 8.038 -6.384 9.380 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.345 -4.963 9.857 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.324 -7.177 9.199 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.201 -4.174 8.891 1.00 0.00 C ATOM 0 H ILE A 86 5.755 -5.382 9.184 1.00 0.00 H new ATOM 0 HA ILE A 86 7.821 -5.811 7.312 1.00 0.00 H new ATOM 0 HB ILE A 86 7.433 -6.879 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.407 -4.431 10.017 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.851 -5.013 10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.876 -7.194 10.139 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.083 -8.197 8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.935 -6.708 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.379 -3.177 9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.154 -4.684 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.688 -4.092 7.933 1.00 0.00 H new ATOM 1403 N ASN A 87 7.775 -8.205 6.600 1.00 0.00 N ATOM 1404 CA ASN A 87 7.645 -9.552 6.055 1.00 0.00 C ATOM 1405 C ASN A 87 8.907 -10.369 6.315 1.00 0.00 C ATOM 1406 O ASN A 87 8.852 -11.446 6.907 1.00 0.00 O ATOM 1407 CB ASN A 87 7.363 -9.492 4.553 1.00 0.00 C ATOM 1408 CG ASN A 87 5.879 -9.475 4.243 1.00 0.00 C ATOM 1409 OD1 ASN A 87 5.265 -8.303 4.354 1.00 0.00 O flip ATOM 1410 ND2 ASN A 87 5.292 -10.504 3.907 1.00 0.00 N flip ATOM 0 H ASN A 87 8.502 -7.641 6.160 1.00 0.00 H new ATOM 0 HA ASN A 87 6.809 -10.040 6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.829 -8.600 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.823 -10.351 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.804 -11.383 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.293 -10.477 3.701 1.00 0.00 H new ATOM 1417 N GLY A 88 10.046 -9.846 5.869 1.00 0.00 N ATOM 1418 CA GLY A 88 11.306 -10.539 6.063 1.00 0.00 C ATOM 1419 C GLY A 88 12.439 -9.915 5.273 1.00 0.00 C ATOM 1420 O GLY A 88 12.537 -8.692 5.177 1.00 0.00 O ATOM 0 H GLY A 88 10.118 -8.955 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.560 -10.534 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.193 -11.582 5.767 1.00 0.00 H new ATOM 1424 N SER A 89 13.297 -10.757 4.706 1.00 0.00 N ATOM 1425 CA SER A 89 14.432 -10.280 3.924 1.00 0.00 C ATOM 1426 C SER A 89 14.282 -10.668 2.456 1.00 0.00 C ATOM 1427 O SER A 89 13.818 -11.763 2.135 1.00 0.00 O ATOM 1428 CB SER A 89 15.738 -10.849 4.483 1.00 0.00 C ATOM 1429 OG SER A 89 15.680 -12.262 4.576 1.00 0.00 O ATOM 0 H SER A 89 13.228 -11.772 4.773 1.00 0.00 H new ATOM 0 HA SER A 89 14.458 -9.193 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.569 -10.557 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.931 -10.424 5.468 1.00 0.00 H new ATOM 0 HG SER A 89 16.527 -12.601 4.934 1.00 0.00 H new ATOM 1435 N THR A 90 14.678 -9.762 1.568 1.00 0.00 N ATOM 1436 CA THR A 90 14.587 -10.007 0.134 1.00 0.00 C ATOM 1437 C THR A 90 15.909 -9.702 -0.561 1.00 0.00 C ATOM 1438 O THR A 90 16.535 -8.675 -0.299 1.00 0.00 O ATOM 1439 CB THR A 90 13.473 -9.161 -0.511 1.00 0.00 C ATOM 1440 OG1 THR A 90 12.230 -9.395 0.159 1.00 0.00 O ATOM 1441 CG2 THR A 90 13.329 -9.493 -1.989 1.00 0.00 C ATOM 0 H THR A 90 15.065 -8.852 1.817 1.00 0.00 H new ATOM 0 HA THR A 90 14.349 -11.063 0.008 1.00 0.00 H new ATOM 0 HB THR A 90 13.744 -8.110 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.527 -8.852 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.537 -8.883 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.268 -9.286 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.079 -10.548 -2.102 1.00 0.00 H new ATOM 1449 N GLN A 91 16.327 -10.599 -1.448 1.00 0.00 N ATOM 1450 CA GLN A 91 17.575 -10.423 -2.181 1.00 0.00 C ATOM 1451 C GLN A 91 17.316 -9.849 -3.570 1.00 0.00 C ATOM 1452 O GLN A 91 17.933 -10.266 -4.549 1.00 0.00 O ATOM 1453 CB GLN A 91 18.315 -11.757 -2.297 1.00 0.00 C ATOM 1454 CG GLN A 91 17.567 -12.798 -3.116 1.00 0.00 C ATOM 1455 CD GLN A 91 18.212 -14.168 -3.048 1.00 0.00 C ATOM 1456 OE1 GLN A 91 18.562 -14.753 -4.073 1.00 0.00 O ATOM 1457 NE2 GLN A 91 18.374 -14.687 -1.837 1.00 0.00 N ATOM 0 H GLN A 91 15.820 -11.454 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 91 18.195 -9.718 -1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 91 19.291 -11.583 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.493 -12.153 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.540 -12.866 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.522 -12.473 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 91 18.069 -14.167 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 91 18.803 -15.606 -1.729 1.00 0.00 H new ATOM 1466 N ALA A 92 16.398 -8.890 -3.646 1.00 0.00 N ATOM 1467 CA ALA A 92 16.058 -8.258 -4.915 1.00 0.00 C ATOM 1468 C ALA A 92 15.854 -6.757 -4.742 1.00 0.00 C ATOM 1469 O ALA A 92 15.091 -6.318 -3.880 1.00 0.00 O ATOM 1470 CB ALA A 92 14.811 -8.898 -5.506 1.00 0.00 C ATOM 0 H ALA A 92 15.877 -8.534 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 92 16.890 -8.408 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.569 -8.416 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.992 -9.960 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.977 -8.777 -4.814 1.00 0.00 H new ATOM 1476 N THR A 93 16.540 -5.972 -5.567 1.00 0.00 N ATOM 1477 CA THR A 93 16.435 -4.520 -5.504 1.00 0.00 C ATOM 1478 C THR A 93 16.404 -3.910 -6.901 1.00 0.00 C ATOM 1479 O THR A 93 17.106 -4.365 -7.803 1.00 0.00 O ATOM 1480 CB THR A 93 17.605 -3.905 -4.714 1.00 0.00 C ATOM 1481 OG1 THR A 93 17.443 -2.485 -4.623 1.00 0.00 O ATOM 1482 CG2 THR A 93 18.935 -4.227 -5.378 1.00 0.00 C ATOM 0 H THR A 93 17.174 -6.318 -6.287 1.00 0.00 H new ATOM 0 HA THR A 93 15.501 -4.293 -4.990 1.00 0.00 H new ATOM 0 HB THR A 93 17.603 -4.335 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 93 18.190 -2.102 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 93 19.746 -3.782 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.069 -5.308 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 93 18.944 -3.822 -6.390 1.00 0.00 H new ATOM 1490 N ASN A 94 15.586 -2.876 -7.073 1.00 0.00 N ATOM 1491 CA ASN A 94 15.465 -2.204 -8.361 1.00 0.00 C ATOM 1492 C ASN A 94 14.619 -0.940 -8.237 1.00 0.00 C ATOM 1493 O ASN A 94 13.888 -0.762 -7.262 1.00 0.00 O ATOM 1494 CB ASN A 94 14.846 -3.146 -9.396 1.00 0.00 C ATOM 1495 CG ASN A 94 13.331 -3.177 -9.317 1.00 0.00 C ATOM 1496 OD1 ASN A 94 12.644 -2.537 -10.113 1.00 0.00 O ATOM 1497 ND2 ASN A 94 12.804 -3.923 -8.353 1.00 0.00 N ATOM 0 H ASN A 94 14.998 -2.486 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 94 16.465 -1.921 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.149 -2.833 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.236 -4.153 -9.246 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.791 -3.982 -8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.412 -4.437 -7.716 1.00 0.00 H new ATOM 1504 N LEU A 95 14.722 -0.066 -9.232 1.00 0.00 N ATOM 1505 CA LEU A 95 13.967 1.182 -9.236 1.00 0.00 C ATOM 1506 C LEU A 95 14.108 1.900 -10.574 1.00 0.00 C ATOM 1507 O LEU A 95 15.208 2.019 -11.112 1.00 0.00 O ATOM 1508 CB LEU A 95 14.442 2.093 -8.102 1.00 0.00 C ATOM 1509 CG LEU A 95 15.875 2.614 -8.217 1.00 0.00 C ATOM 1510 CD1 LEU A 95 16.031 3.918 -7.451 1.00 0.00 C ATOM 1511 CD2 LEU A 95 16.863 1.574 -7.709 1.00 0.00 C ATOM 0 H LEU A 95 15.321 -0.199 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 95 12.915 0.941 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.769 2.948 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.348 1.549 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 95 16.088 2.806 -9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 95 17.057 4.274 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 95 15.350 4.664 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.798 3.752 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 95 17.878 1.962 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 95 16.651 1.351 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 95 16.769 0.663 -8.301 1.00 0.00 H new ATOM 1523 N GLU A 96 12.987 2.379 -11.104 1.00 0.00 N ATOM 1524 CA GLU A 96 12.987 3.087 -12.379 1.00 0.00 C ATOM 1525 C GLU A 96 13.538 4.501 -12.216 1.00 0.00 C ATOM 1526 O GLU A 96 13.287 5.181 -11.221 1.00 0.00 O ATOM 1527 CB GLU A 96 11.571 3.143 -12.957 1.00 0.00 C ATOM 1528 CG GLU A 96 11.220 1.945 -13.824 1.00 0.00 C ATOM 1529 CD GLU A 96 9.963 2.167 -14.643 1.00 0.00 C ATOM 1530 OE1 GLU A 96 8.861 1.893 -14.122 1.00 0.00 O ATOM 1531 OE2 GLU A 96 10.080 2.612 -15.803 1.00 0.00 O ATOM 0 H GLU A 96 12.068 2.290 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 96 13.632 2.541 -13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.855 3.210 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.465 4.053 -13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.052 1.729 -14.494 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.086 1.069 -13.190 1.00 0.00 H new ATOM 1538 N PRO A 97 14.308 4.954 -13.217 1.00 0.00 N ATOM 1539 CA PRO A 97 14.911 6.290 -13.208 1.00 0.00 C ATOM 1540 C PRO A 97 13.873 7.395 -13.375 1.00 0.00 C ATOM 1541 O PRO A 97 12.670 7.138 -13.353 1.00 0.00 O ATOM 1542 CB PRO A 97 15.857 6.260 -14.411 1.00 0.00 C ATOM 1543 CG PRO A 97 15.278 5.233 -15.323 1.00 0.00 C ATOM 1544 CD PRO A 97 14.648 4.197 -14.433 1.00 0.00 C ATOM 0 HA PRO A 97 15.408 6.507 -12.262 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.912 7.235 -14.896 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.871 5.996 -14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.539 5.676 -15.990 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.050 4.790 -15.952 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.763 3.757 -14.893 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.336 3.379 -14.218 1.00 0.00 H new ATOM 1552 N SER A 98 14.348 8.626 -13.542 1.00 0.00 N ATOM 1553 CA SER A 98 13.460 9.771 -13.709 1.00 0.00 C ATOM 1554 C SER A 98 14.012 10.738 -14.751 1.00 0.00 C ATOM 1555 O SER A 98 15.148 11.200 -14.647 1.00 0.00 O ATOM 1556 CB SER A 98 13.271 10.495 -12.375 1.00 0.00 C ATOM 1557 OG SER A 98 12.142 11.350 -12.414 1.00 0.00 O ATOM 0 H SER A 98 15.342 8.855 -13.565 1.00 0.00 H new ATOM 0 HA SER A 98 12.494 9.403 -14.055 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.150 9.764 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.163 11.076 -12.144 1.00 0.00 H new ATOM 0 HG SER A 98 12.042 11.800 -11.549 1.00 0.00 H new ATOM 1563 N GLY A 99 13.199 11.041 -15.759 1.00 0.00 N ATOM 1564 CA GLY A 99 13.622 11.951 -16.806 1.00 0.00 C ATOM 1565 C GLY A 99 12.524 12.226 -17.815 1.00 0.00 C ATOM 1566 O GLY A 99 11.771 11.332 -18.203 1.00 0.00 O ATOM 0 H GLY A 99 12.255 10.672 -15.868 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.943 12.891 -16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.487 11.531 -17.320 1.00 0.00 H new ATOM 1570 N PRO A 100 12.421 13.489 -18.254 1.00 0.00 N ATOM 1571 CA PRO A 100 11.408 13.908 -19.227 1.00 0.00 C ATOM 1572 C PRO A 100 11.673 13.343 -20.619 1.00 0.00 C ATOM 1573 O PRO A 100 12.814 13.314 -21.080 1.00 0.00 O ATOM 1574 CB PRO A 100 11.536 15.434 -19.237 1.00 0.00 C ATOM 1575 CG PRO A 100 12.936 15.699 -18.804 1.00 0.00 C ATOM 1576 CD PRO A 100 13.284 14.605 -17.833 1.00 0.00 C ATOM 0 HA PRO A 100 10.413 13.551 -18.959 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.345 15.841 -20.230 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.818 15.896 -18.560 1.00 0.00 H new ATOM 0 HG2 PRO A 100 13.615 15.695 -19.656 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.020 16.679 -18.334 1.00 0.00 H new ATOM 0 HD2 PRO A 100 14.340 14.340 -17.888 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.083 14.902 -16.804 1.00 0.00 H new ATOM 1584 N SER A 101 10.612 12.895 -21.282 1.00 0.00 N ATOM 1585 CA SER A 101 10.731 12.327 -22.620 1.00 0.00 C ATOM 1586 C SER A 101 10.732 13.426 -23.678 1.00 0.00 C ATOM 1587 O SER A 101 11.702 13.589 -24.419 1.00 0.00 O ATOM 1588 CB SER A 101 9.585 11.349 -22.885 1.00 0.00 C ATOM 1589 OG SER A 101 9.894 10.056 -22.395 1.00 0.00 O ATOM 0 H SER A 101 9.661 12.914 -20.915 1.00 0.00 H new ATOM 0 HA SER A 101 11.678 11.790 -22.678 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.674 11.713 -22.409 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.387 11.298 -23.956 1.00 0.00 H new ATOM 0 HG SER A 101 9.145 9.450 -22.575 1.00 0.00 H new ATOM 1595 N SER A 102 9.638 14.178 -23.743 1.00 0.00 N ATOM 1596 CA SER A 102 9.510 15.259 -24.713 1.00 0.00 C ATOM 1597 C SER A 102 10.719 16.188 -24.654 1.00 0.00 C ATOM 1598 O SER A 102 11.124 16.630 -23.580 1.00 0.00 O ATOM 1599 CB SER A 102 8.229 16.055 -24.455 1.00 0.00 C ATOM 1600 OG SER A 102 7.776 16.690 -25.638 1.00 0.00 O ATOM 0 H SER A 102 8.828 14.058 -23.135 1.00 0.00 H new ATOM 0 HA SER A 102 9.461 14.817 -25.708 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.454 15.389 -24.076 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.411 16.803 -23.684 1.00 0.00 H new ATOM 0 HG SER A 102 6.955 17.191 -25.447 1.00 0.00 H new ATOM 1606 N GLY A 103 11.291 16.479 -25.818 1.00 0.00 N ATOM 1607 CA GLY A 103 12.448 17.353 -25.878 1.00 0.00 C ATOM 1608 C GLY A 103 13.622 16.713 -26.592 1.00 0.00 C ATOM 1609 O GLY A 103 14.545 17.402 -27.024 1.00 0.00 O ATOM 0 H GLY A 103 10.974 16.125 -26.721 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.176 18.277 -26.389 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.747 17.625 -24.866 1.00 0.00 H new TER 1613 GLY A 103