USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 71 HIS : no HE2:sc= -4.4! C(o=-4.4!,f=-3.7!) USER MOD Set 1.2: A 73 SER OG : 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 45:sc= 0.723 USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.65 USER MOD Single : A 13 CYS SG : rot 180:sc=-0.00238 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00669 USER MOD Single : A 17 MET CE :methyl -115:sc= -0.55 (180deg=-0.979) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 27 SER OG : rot 86:sc= 0.49 USER MOD Single : A 28 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 29 TYR OH : rot 29:sc= 0.13 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -22:sc= 0.244 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -170:sc= -1.15 USER MOD Single : A 66 LYS NZ :NH3+ -149:sc= 0.0242 (180deg=-0.0877) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0503 X(o=0.05,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.502 K(o=0.5,f=-1.7!) USER MOD Single : A 80 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.46) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.653 18.931 2.739 1.00 0.00 N ATOM 2 CA GLY A 1 -12.922 17.866 2.076 1.00 0.00 C ATOM 3 C GLY A 1 -12.027 18.379 0.965 1.00 0.00 C ATOM 4 O GLY A 1 -12.323 18.194 -0.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.249 18.528 3.489 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.981 19.606 3.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.253 19.423 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.316 17.334 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.629 17.146 1.665 1.00 0.00 H new ATOM 8 N SER A 2 -10.931 19.029 1.343 1.00 0.00 N ATOM 9 CA SER A 2 -9.993 19.576 0.371 1.00 0.00 C ATOM 10 C SER A 2 -9.167 18.465 -0.271 1.00 0.00 C ATOM 11 O SER A 2 -8.954 18.456 -1.484 1.00 0.00 O ATOM 12 CB SER A 2 -9.068 20.594 1.039 1.00 0.00 C ATOM 13 OG SER A 2 -8.399 21.387 0.073 1.00 0.00 O ATOM 0 H SER A 2 -10.671 19.190 2.316 1.00 0.00 H new ATOM 0 HA SER A 2 -10.567 20.076 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.647 21.236 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.336 20.074 1.657 1.00 0.00 H new ATOM 0 HG SER A 2 -7.815 22.031 0.526 1.00 0.00 H new ATOM 19 N SER A 3 -8.703 17.531 0.551 1.00 0.00 N ATOM 20 CA SER A 3 -7.896 16.417 0.066 1.00 0.00 C ATOM 21 C SER A 3 -8.086 15.185 0.947 1.00 0.00 C ATOM 22 O SER A 3 -7.349 14.978 1.909 1.00 0.00 O ATOM 23 CB SER A 3 -6.419 16.809 0.028 1.00 0.00 C ATOM 24 OG SER A 3 -5.966 17.214 1.308 1.00 0.00 O ATOM 0 H SER A 3 -8.872 17.523 1.557 1.00 0.00 H new ATOM 0 HA SER A 3 -8.225 16.174 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.824 15.965 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.273 17.619 -0.686 1.00 0.00 H new ATOM 0 HG SER A 3 -6.286 16.581 1.984 1.00 0.00 H new ATOM 30 N GLY A 4 -9.081 14.370 0.607 1.00 0.00 N ATOM 31 CA GLY A 4 -9.349 13.169 1.376 1.00 0.00 C ATOM 32 C GLY A 4 -8.335 12.074 1.114 1.00 0.00 C ATOM 33 O GLY A 4 -8.270 11.528 0.013 1.00 0.00 O ATOM 0 H GLY A 4 -9.705 14.520 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.348 13.414 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.346 12.802 1.134 1.00 0.00 H new ATOM 37 N SER A 5 -7.539 11.753 2.129 1.00 0.00 N ATOM 38 CA SER A 5 -6.518 10.719 2.001 1.00 0.00 C ATOM 39 C SER A 5 -7.124 9.416 1.491 1.00 0.00 C ATOM 40 O SER A 5 -7.973 8.813 2.149 1.00 0.00 O ATOM 41 CB SER A 5 -5.832 10.481 3.349 1.00 0.00 C ATOM 42 OG SER A 5 -4.452 10.207 3.177 1.00 0.00 O ATOM 0 H SER A 5 -7.581 12.193 3.048 1.00 0.00 H new ATOM 0 HA SER A 5 -5.778 11.062 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.956 11.359 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.311 9.647 3.862 1.00 0.00 H new ATOM 0 HG SER A 5 -4.005 10.218 4.049 1.00 0.00 H new ATOM 48 N SER A 6 -6.683 8.986 0.314 1.00 0.00 N ATOM 49 CA SER A 6 -7.185 7.757 -0.290 1.00 0.00 C ATOM 50 C SER A 6 -6.147 6.643 -0.194 1.00 0.00 C ATOM 51 O SER A 6 -6.128 5.725 -1.012 1.00 0.00 O ATOM 52 CB SER A 6 -7.559 7.997 -1.753 1.00 0.00 C ATOM 53 OG SER A 6 -8.331 9.176 -1.896 1.00 0.00 O ATOM 0 H SER A 6 -5.978 9.471 -0.241 1.00 0.00 H new ATOM 0 HA SER A 6 -8.076 7.449 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.654 8.077 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.120 7.143 -2.133 1.00 0.00 H new ATOM 0 HG SER A 6 -8.555 9.307 -2.841 1.00 0.00 H new ATOM 59 N GLY A 7 -5.285 6.730 0.815 1.00 0.00 N ATOM 60 CA GLY A 7 -4.256 5.724 1.001 1.00 0.00 C ATOM 61 C GLY A 7 -4.656 4.665 2.008 1.00 0.00 C ATOM 62 O GLY A 7 -5.189 4.979 3.072 1.00 0.00 O ATOM 0 H GLY A 7 -5.281 7.480 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.040 5.248 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.336 6.206 1.332 1.00 0.00 H new ATOM 66 N VAL A 8 -4.401 3.404 1.671 1.00 0.00 N ATOM 67 CA VAL A 8 -4.739 2.293 2.554 1.00 0.00 C ATOM 68 C VAL A 8 -3.491 1.519 2.966 1.00 0.00 C ATOM 69 O VAL A 8 -2.545 1.387 2.189 1.00 0.00 O ATOM 70 CB VAL A 8 -5.732 1.326 1.884 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.067 2.015 1.641 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.156 0.788 0.583 1.00 0.00 C ATOM 0 H VAL A 8 -3.962 3.126 0.793 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.205 2.723 3.440 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.902 0.484 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.756 1.316 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.484 2.347 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.919 2.876 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.871 0.106 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.956 1.617 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.228 0.255 0.789 1.00 0.00 H new ATOM 82 N PHE A 9 -3.497 1.008 4.192 1.00 0.00 N ATOM 83 CA PHE A 9 -2.365 0.248 4.707 1.00 0.00 C ATOM 84 C PHE A 9 -2.605 -1.252 4.559 1.00 0.00 C ATOM 85 O PHE A 9 -3.483 -1.819 5.209 1.00 0.00 O ATOM 86 CB PHE A 9 -2.119 0.592 6.179 1.00 0.00 C ATOM 87 CG PHE A 9 -1.522 1.955 6.383 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.287 2.274 5.844 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.199 2.919 7.115 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.264 3.528 6.030 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.653 4.175 7.303 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.419 4.479 6.762 1.00 0.00 C ATOM 0 H PHE A 9 -4.273 1.106 4.847 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.484 0.518 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.063 0.533 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.455 -0.156 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.252 1.534 5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.163 2.686 7.543 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.228 3.764 5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.191 4.918 7.873 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.011 5.458 6.911 1.00 0.00 H new ATOM 102 N VAL A 10 -1.817 -1.889 3.697 1.00 0.00 N ATOM 103 CA VAL A 10 -1.943 -3.321 3.462 1.00 0.00 C ATOM 104 C VAL A 10 -1.099 -4.117 4.451 1.00 0.00 C ATOM 105 O VAL A 10 0.052 -4.452 4.173 1.00 0.00 O ATOM 106 CB VAL A 10 -1.521 -3.693 2.028 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.707 -5.184 1.787 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.308 -2.878 1.012 1.00 0.00 C ATOM 0 H VAL A 10 -1.085 -1.435 3.151 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.994 -3.573 3.601 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.464 -3.458 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.404 -5.429 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.095 -5.746 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.756 -5.447 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.997 -3.154 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.373 -3.079 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.119 -1.817 1.172 1.00 0.00 H new ATOM 118 N GLY A 11 -1.680 -4.417 5.608 1.00 0.00 N ATOM 119 CA GLY A 11 -0.967 -5.172 6.622 1.00 0.00 C ATOM 120 C GLY A 11 -0.811 -6.635 6.254 1.00 0.00 C ATOM 121 O GLY A 11 -1.107 -7.033 5.128 1.00 0.00 O ATOM 0 H GLY A 11 -2.631 -4.151 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.019 -4.731 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.499 -5.094 7.570 1.00 0.00 H new ATOM 125 N ARG A 12 -0.344 -7.436 7.206 1.00 0.00 N ATOM 126 CA ARG A 12 -0.146 -8.862 6.975 1.00 0.00 C ATOM 127 C ARG A 12 0.552 -9.105 5.640 1.00 0.00 C ATOM 128 O ARG A 12 0.176 -10.004 4.887 1.00 0.00 O ATOM 129 CB ARG A 12 -1.489 -9.595 7.002 1.00 0.00 C ATOM 130 CG ARG A 12 -1.898 -10.065 8.388 1.00 0.00 C ATOM 131 CD ARG A 12 -2.667 -11.376 8.328 1.00 0.00 C ATOM 132 NE ARG A 12 -4.112 -11.165 8.330 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.827 -10.996 9.437 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.235 -11.012 10.623 1.00 0.00 N ATOM 135 NH2 ARG A 12 -6.139 -10.808 9.358 1.00 0.00 N ATOM 0 H ARG A 12 -0.096 -7.122 8.144 1.00 0.00 H new ATOM 0 HA ARG A 12 0.488 -9.250 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.262 -8.935 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.437 -10.456 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.010 -10.191 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.514 -9.302 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.382 -11.922 7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.390 -11.997 9.180 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.598 -11.146 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.227 -11.154 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.787 -10.882 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.598 -10.793 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.688 -10.678 10.208 1.00 0.00 H new ATOM 149 N CYS A 13 1.568 -8.298 5.354 1.00 0.00 N ATOM 150 CA CYS A 13 2.317 -8.425 4.110 1.00 0.00 C ATOM 151 C CYS A 13 3.748 -8.879 4.380 1.00 0.00 C ATOM 152 O CYS A 13 4.132 -9.107 5.528 1.00 0.00 O ATOM 153 CB CYS A 13 2.326 -7.093 3.358 1.00 0.00 C ATOM 154 SG CYS A 13 1.421 -7.122 1.793 1.00 0.00 S ATOM 0 H CYS A 13 1.891 -7.549 5.967 1.00 0.00 H new ATOM 0 HA CYS A 13 1.826 -9.179 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.897 -6.323 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.359 -6.805 3.163 1.00 0.00 H new ATOM 0 HG CYS A 13 1.484 -5.950 1.233 1.00 0.00 H new ATOM 160 N THR A 14 4.533 -9.013 3.315 1.00 0.00 N ATOM 161 CA THR A 14 5.920 -9.444 3.438 1.00 0.00 C ATOM 162 C THR A 14 6.852 -8.520 2.663 1.00 0.00 C ATOM 163 O THR A 14 6.410 -7.554 2.042 1.00 0.00 O ATOM 164 CB THR A 14 6.106 -10.885 2.929 1.00 0.00 C ATOM 165 OG1 THR A 14 6.469 -10.874 1.544 1.00 0.00 O ATOM 166 CG2 THR A 14 4.833 -11.696 3.120 1.00 0.00 C ATOM 0 H THR A 14 4.232 -8.829 2.358 1.00 0.00 H new ATOM 0 HA THR A 14 6.172 -9.405 4.498 1.00 0.00 H new ATOM 0 HB THR A 14 6.904 -11.350 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.587 -11.795 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.989 -12.710 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.578 -11.729 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.018 -11.231 2.565 1.00 0.00 H new ATOM 174 N GLY A 15 8.146 -8.822 2.704 1.00 0.00 N ATOM 175 CA GLY A 15 9.121 -8.009 2.002 1.00 0.00 C ATOM 176 C GLY A 15 9.427 -8.539 0.615 1.00 0.00 C ATOM 177 O GLY A 15 9.843 -7.787 -0.266 1.00 0.00 O ATOM 0 H GLY A 15 8.536 -9.616 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.749 -6.988 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.042 -7.969 2.584 1.00 0.00 H new ATOM 181 N ASP A 16 9.224 -9.838 0.421 1.00 0.00 N ATOM 182 CA ASP A 16 9.481 -10.468 -0.868 1.00 0.00 C ATOM 183 C ASP A 16 8.719 -9.759 -1.982 1.00 0.00 C ATOM 184 O ASP A 16 9.210 -9.637 -3.104 1.00 0.00 O ATOM 185 CB ASP A 16 9.088 -11.945 -0.824 1.00 0.00 C ATOM 186 CG ASP A 16 10.199 -12.855 -1.313 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.214 -12.987 -0.599 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.053 -13.433 -2.411 1.00 0.00 O ATOM 0 H ASP A 16 8.882 -10.475 1.141 1.00 0.00 H new ATOM 0 HA ASP A 16 10.548 -10.389 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.823 -12.217 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.200 -12.100 -1.436 1.00 0.00 H new ATOM 193 N MET A 17 7.515 -9.293 -1.665 1.00 0.00 N ATOM 194 CA MET A 17 6.685 -8.595 -2.639 1.00 0.00 C ATOM 195 C MET A 17 7.321 -7.271 -3.048 1.00 0.00 C ATOM 196 O MET A 17 8.155 -6.722 -2.326 1.00 0.00 O ATOM 197 CB MET A 17 5.288 -8.348 -2.067 1.00 0.00 C ATOM 198 CG MET A 17 4.666 -9.579 -1.429 1.00 0.00 C ATOM 199 SD MET A 17 2.956 -9.839 -1.943 1.00 0.00 S ATOM 200 CE MET A 17 2.398 -10.992 -0.692 1.00 0.00 C ATOM 0 H MET A 17 7.093 -9.386 -0.741 1.00 0.00 H new ATOM 0 HA MET A 17 6.601 -9.225 -3.524 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.344 -7.553 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.635 -7.993 -2.865 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.257 -10.457 -1.690 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.704 -9.480 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.161 -11.948 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.185 -11.134 0.049 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.508 -10.596 -0.204 1.00 0.00 H new ATOM 210 N THR A 18 6.925 -6.761 -4.210 1.00 0.00 N ATOM 211 CA THR A 18 7.458 -5.502 -4.714 1.00 0.00 C ATOM 212 C THR A 18 6.336 -4.544 -5.097 1.00 0.00 C ATOM 213 O THR A 18 5.227 -4.969 -5.419 1.00 0.00 O ATOM 214 CB THR A 18 8.366 -5.726 -5.937 1.00 0.00 C ATOM 215 OG1 THR A 18 7.833 -6.771 -6.759 1.00 0.00 O ATOM 216 CG2 THR A 18 9.779 -6.087 -5.504 1.00 0.00 C ATOM 0 H THR A 18 6.236 -7.201 -4.820 1.00 0.00 H new ATOM 0 HA THR A 18 8.047 -5.064 -3.909 1.00 0.00 H new ATOM 0 HB THR A 18 8.403 -4.798 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.416 -6.906 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.402 -6.240 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.194 -5.277 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.756 -7.002 -4.913 1.00 0.00 H new ATOM 224 N GLU A 19 6.631 -3.248 -5.060 1.00 0.00 N ATOM 225 CA GLU A 19 5.646 -2.230 -5.404 1.00 0.00 C ATOM 226 C GLU A 19 4.962 -2.560 -6.728 1.00 0.00 C ATOM 227 O GLU A 19 3.811 -2.188 -6.953 1.00 0.00 O ATOM 228 CB GLU A 19 6.310 -0.854 -5.489 1.00 0.00 C ATOM 229 CG GLU A 19 6.886 -0.373 -4.169 1.00 0.00 C ATOM 230 CD GLU A 19 8.225 0.321 -4.333 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.245 1.453 -4.859 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.251 -0.270 -3.937 1.00 0.00 O ATOM 0 H GLU A 19 7.544 -2.879 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 19 4.890 -2.212 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.107 -0.890 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.578 -0.128 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.181 0.312 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.002 -1.223 -3.497 1.00 0.00 H new ATOM 239 N ASP A 20 5.680 -3.259 -7.599 1.00 0.00 N ATOM 240 CA ASP A 20 5.144 -3.640 -8.901 1.00 0.00 C ATOM 241 C ASP A 20 4.084 -4.728 -8.755 1.00 0.00 C ATOM 242 O ASP A 20 3.032 -4.672 -9.390 1.00 0.00 O ATOM 243 CB ASP A 20 6.267 -4.126 -9.817 1.00 0.00 C ATOM 244 CG ASP A 20 7.404 -3.129 -9.918 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.125 -1.912 -9.949 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.575 -3.565 -9.966 1.00 0.00 O ATOM 0 H ASP A 20 6.635 -3.574 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 20 4.678 -2.760 -9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.652 -5.075 -9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.864 -4.315 -10.812 1.00 0.00 H new ATOM 251 N GLU A 21 4.370 -5.717 -7.913 1.00 0.00 N ATOM 252 CA GLU A 21 3.442 -6.817 -7.686 1.00 0.00 C ATOM 253 C GLU A 21 2.077 -6.297 -7.245 1.00 0.00 C ATOM 254 O GLU A 21 1.072 -6.498 -7.929 1.00 0.00 O ATOM 255 CB GLU A 21 4.000 -7.775 -6.631 1.00 0.00 C ATOM 256 CG GLU A 21 5.250 -8.513 -7.079 1.00 0.00 C ATOM 257 CD GLU A 21 5.070 -10.018 -7.081 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.942 -10.602 -5.984 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.056 -10.613 -8.179 1.00 0.00 O ATOM 0 H GLU A 21 5.236 -5.778 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 21 3.320 -7.354 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.225 -7.213 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.232 -8.503 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.523 -8.182 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.078 -8.251 -6.420 1.00 0.00 H new ATOM 266 N LEU A 22 2.049 -5.627 -6.098 1.00 0.00 N ATOM 267 CA LEU A 22 0.808 -5.077 -5.564 1.00 0.00 C ATOM 268 C LEU A 22 0.184 -4.088 -6.545 1.00 0.00 C ATOM 269 O LEU A 22 -1.023 -4.116 -6.785 1.00 0.00 O ATOM 270 CB LEU A 22 1.068 -4.387 -4.223 1.00 0.00 C ATOM 271 CG LEU A 22 1.657 -5.266 -3.120 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.432 -4.422 -2.121 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.557 -6.051 -2.418 1.00 0.00 C ATOM 0 H LEU A 22 2.871 -5.452 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 22 0.110 -5.900 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.745 -3.550 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.128 -3.969 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 22 2.347 -5.975 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.844 -5.065 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.244 -3.906 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.764 -3.688 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.995 -6.671 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.158 -5.358 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.045 -6.686 -3.141 1.00 0.00 H new ATOM 285 N ARG A 23 1.015 -3.217 -7.108 1.00 0.00 N ATOM 286 CA ARG A 23 0.545 -2.221 -8.063 1.00 0.00 C ATOM 287 C ARG A 23 -0.208 -2.883 -9.213 1.00 0.00 C ATOM 288 O ARG A 23 -1.197 -2.345 -9.712 1.00 0.00 O ATOM 289 CB ARG A 23 1.723 -1.412 -8.610 1.00 0.00 C ATOM 290 CG ARG A 23 1.378 -0.591 -9.842 1.00 0.00 C ATOM 291 CD ARG A 23 2.242 0.657 -9.939 1.00 0.00 C ATOM 292 NE ARG A 23 3.167 0.596 -11.067 1.00 0.00 N ATOM 293 CZ ARG A 23 4.071 1.533 -11.329 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.171 2.599 -10.546 1.00 0.00 N ATOM 295 NH2 ARG A 23 4.876 1.407 -12.375 1.00 0.00 N ATOM 0 H ARG A 23 2.017 -3.181 -6.919 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.138 -1.550 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.088 -0.744 -7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.538 -2.093 -8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.514 -1.200 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.327 -0.305 -9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.602 1.534 -10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.806 0.780 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 23 3.116 -0.211 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.553 2.700 -9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.866 3.317 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.802 0.589 -12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.570 2.128 -12.574 1.00 0.00 H new ATOM 309 N GLU A 24 0.266 -4.054 -9.629 1.00 0.00 N ATOM 310 CA GLU A 24 -0.362 -4.788 -10.721 1.00 0.00 C ATOM 311 C GLU A 24 -1.538 -5.616 -10.214 1.00 0.00 C ATOM 312 O GLU A 24 -2.479 -5.900 -10.956 1.00 0.00 O ATOM 313 CB GLU A 24 0.659 -5.697 -11.408 1.00 0.00 C ATOM 314 CG GLU A 24 1.097 -5.198 -12.774 1.00 0.00 C ATOM 315 CD GLU A 24 1.387 -6.328 -13.743 1.00 0.00 C ATOM 316 OE1 GLU A 24 0.529 -7.223 -13.884 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.474 -6.315 -14.359 1.00 0.00 O ATOM 0 H GLU A 24 1.082 -4.514 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.736 -4.063 -11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.536 -5.793 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.231 -6.694 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.318 -4.559 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.989 -4.582 -12.663 1.00 0.00 H new ATOM 324 N PHE A 25 -1.478 -6.002 -8.943 1.00 0.00 N ATOM 325 CA PHE A 25 -2.536 -6.800 -8.335 1.00 0.00 C ATOM 326 C PHE A 25 -3.756 -5.938 -8.022 1.00 0.00 C ATOM 327 O PHE A 25 -4.890 -6.417 -8.037 1.00 0.00 O ATOM 328 CB PHE A 25 -2.029 -7.469 -7.057 1.00 0.00 C ATOM 329 CG PHE A 25 -3.108 -8.160 -6.273 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.547 -9.423 -6.635 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.685 -7.546 -5.172 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.540 -10.060 -5.916 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.678 -8.177 -4.448 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.106 -9.437 -4.821 1.00 0.00 C ATOM 0 H PHE A 25 -0.707 -5.775 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.831 -7.570 -9.048 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.259 -8.195 -7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.557 -6.716 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.108 -9.916 -7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.354 -6.561 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.873 -11.044 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.119 -7.687 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.882 -9.934 -4.257 1.00 0.00 H new ATOM 344 N PHE A 26 -3.514 -4.662 -7.738 1.00 0.00 N ATOM 345 CA PHE A 26 -4.590 -3.732 -7.419 1.00 0.00 C ATOM 346 C PHE A 26 -5.018 -2.949 -8.657 1.00 0.00 C ATOM 347 O PHE A 26 -5.893 -2.086 -8.588 1.00 0.00 O ATOM 348 CB PHE A 26 -4.149 -2.766 -6.318 1.00 0.00 C ATOM 349 CG PHE A 26 -4.230 -3.352 -4.937 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.457 -3.651 -4.369 1.00 0.00 C ATOM 351 CD2 PHE A 26 -3.078 -3.605 -4.210 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.533 -4.189 -3.098 1.00 0.00 C ATOM 353 CE2 PHE A 26 -3.149 -4.144 -2.939 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.378 -4.438 -2.383 1.00 0.00 C ATOM 0 H PHE A 26 -2.582 -4.249 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.443 -4.311 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.123 -2.452 -6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.770 -1.871 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.364 -3.462 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.114 -3.379 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.496 -4.415 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.244 -4.335 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.436 -4.862 -1.391 1.00 0.00 H new ATOM 364 N SER A 27 -4.395 -3.258 -9.789 1.00 0.00 N ATOM 365 CA SER A 27 -4.706 -2.583 -11.043 1.00 0.00 C ATOM 366 C SER A 27 -5.940 -3.195 -11.699 1.00 0.00 C ATOM 367 O SER A 27 -6.535 -2.604 -12.598 1.00 0.00 O ATOM 368 CB SER A 27 -3.514 -2.660 -11.999 1.00 0.00 C ATOM 369 OG SER A 27 -2.777 -1.451 -11.995 1.00 0.00 O ATOM 0 H SER A 27 -3.671 -3.972 -9.864 1.00 0.00 H new ATOM 0 HA SER A 27 -4.916 -1.537 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.865 -3.486 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.867 -2.871 -13.009 1.00 0.00 H new ATOM 0 HG SER A 27 -2.118 -1.472 -11.270 1.00 0.00 H new ATOM 375 N GLN A 28 -6.316 -4.385 -11.241 1.00 0.00 N ATOM 376 CA GLN A 28 -7.478 -5.079 -11.783 1.00 0.00 C ATOM 377 C GLN A 28 -8.766 -4.562 -11.150 1.00 0.00 C ATOM 378 O GLN A 28 -9.838 -4.638 -11.749 1.00 0.00 O ATOM 379 CB GLN A 28 -7.352 -6.585 -11.554 1.00 0.00 C ATOM 380 CG GLN A 28 -7.320 -6.976 -10.085 1.00 0.00 C ATOM 381 CD GLN A 28 -7.614 -8.447 -9.866 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.762 -8.884 -9.959 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.575 -9.222 -9.574 1.00 0.00 N ATOM 0 H GLN A 28 -5.833 -4.888 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.518 -4.884 -12.855 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.189 -7.089 -12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.443 -6.943 -12.037 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.340 -6.740 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.049 -6.378 -9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.641 -8.818 -9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.712 -10.221 -9.417 1.00 0.00 H new ATOM 392 N TYR A 29 -8.652 -4.037 -9.935 1.00 0.00 N ATOM 393 CA TYR A 29 -9.807 -3.510 -9.218 1.00 0.00 C ATOM 394 C TYR A 29 -10.100 -2.074 -9.639 1.00 0.00 C ATOM 395 O TYR A 29 -11.241 -1.722 -9.936 1.00 0.00 O ATOM 396 CB TYR A 29 -9.570 -3.573 -7.708 1.00 0.00 C ATOM 397 CG TYR A 29 -9.267 -4.964 -7.200 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.003 -5.520 -7.347 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.248 -5.723 -6.573 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.723 -6.791 -6.884 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.977 -6.996 -6.105 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.714 -7.525 -6.264 1.00 0.00 C ATOM 403 OH TYR A 29 -8.438 -8.792 -5.801 1.00 0.00 O ATOM 0 H TYR A 29 -7.771 -3.965 -9.426 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.670 -4.126 -9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.741 -2.913 -7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.452 -3.192 -7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.225 -4.949 -7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.239 -5.312 -6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.734 -7.208 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.750 -7.572 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.490 -8.853 -5.559 1.00 0.00 H new ATOM 413 N GLY A 30 -9.060 -1.246 -9.661 1.00 0.00 N ATOM 414 CA GLY A 30 -9.225 0.143 -10.048 1.00 0.00 C ATOM 415 C GLY A 30 -7.981 0.717 -10.695 1.00 0.00 C ATOM 416 O GLY A 30 -7.323 0.048 -11.492 1.00 0.00 O ATOM 0 H GLY A 30 -8.106 -1.512 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.062 0.227 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.479 0.734 -9.168 1.00 0.00 H new ATOM 420 N ASP A 31 -7.658 1.959 -10.355 1.00 0.00 N ATOM 421 CA ASP A 31 -6.484 2.624 -10.909 1.00 0.00 C ATOM 422 C ASP A 31 -5.532 3.060 -9.799 1.00 0.00 C ATOM 423 O ASP A 31 -5.554 4.212 -9.365 1.00 0.00 O ATOM 424 CB ASP A 31 -6.904 3.836 -11.743 1.00 0.00 C ATOM 425 CG ASP A 31 -6.862 3.556 -13.233 1.00 0.00 C ATOM 426 OD1 ASP A 31 -7.863 3.034 -13.767 1.00 0.00 O ATOM 427 OD2 ASP A 31 -5.826 3.855 -13.864 1.00 0.00 O ATOM 0 H ASP A 31 -8.193 2.527 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.964 1.913 -11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.913 4.135 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.247 4.675 -11.515 1.00 0.00 H new ATOM 432 N VAL A 32 -4.696 2.132 -9.345 1.00 0.00 N ATOM 433 CA VAL A 32 -3.736 2.419 -8.287 1.00 0.00 C ATOM 434 C VAL A 32 -2.692 3.429 -8.751 1.00 0.00 C ATOM 435 O VAL A 32 -1.676 3.061 -9.338 1.00 0.00 O ATOM 436 CB VAL A 32 -3.021 1.140 -7.814 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.623 0.280 -9.004 1.00 0.00 C ATOM 438 CG2 VAL A 32 -1.806 1.491 -6.968 1.00 0.00 C ATOM 0 H VAL A 32 -4.665 1.174 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.300 2.839 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.711 0.565 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.119 -0.619 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.515 -0.000 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.950 0.843 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.313 0.575 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.111 2.087 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.123 2.063 -6.096 1.00 0.00 H new ATOM 448 N MET A 33 -2.952 4.705 -8.484 1.00 0.00 N ATOM 449 CA MET A 33 -2.034 5.769 -8.874 1.00 0.00 C ATOM 450 C MET A 33 -0.584 5.311 -8.746 1.00 0.00 C ATOM 451 O MET A 33 0.203 5.440 -9.684 1.00 0.00 O ATOM 452 CB MET A 33 -2.265 7.012 -8.012 1.00 0.00 C ATOM 453 CG MET A 33 -3.188 8.035 -8.655 1.00 0.00 C ATOM 454 SD MET A 33 -3.214 9.604 -7.767 1.00 0.00 S ATOM 455 CE MET A 33 -1.777 10.412 -8.467 1.00 0.00 C ATOM 0 H MET A 33 -3.790 5.027 -8.000 1.00 0.00 H new ATOM 0 HA MET A 33 -2.228 6.017 -9.918 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.686 6.707 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.304 7.483 -7.803 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.870 8.209 -9.683 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.199 7.630 -8.698 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.658 11.398 -8.017 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.889 9.812 -8.267 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.908 10.518 -9.544 1.00 0.00 H new ATOM 465 N ASP A 34 -0.239 4.774 -7.580 1.00 0.00 N ATOM 466 CA ASP A 34 1.116 4.296 -7.331 1.00 0.00 C ATOM 467 C ASP A 34 1.181 3.503 -6.029 1.00 0.00 C ATOM 468 O ASP A 34 0.207 3.441 -5.279 1.00 0.00 O ATOM 469 CB ASP A 34 2.093 5.470 -7.278 1.00 0.00 C ATOM 470 CG ASP A 34 3.377 5.191 -8.035 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.344 5.203 -9.283 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.415 4.960 -7.378 1.00 0.00 O ATOM 0 H ASP A 34 -0.878 4.659 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 34 1.399 3.637 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.614 6.356 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.330 5.695 -6.238 1.00 0.00 H new ATOM 477 N VAL A 35 2.336 2.899 -5.767 1.00 0.00 N ATOM 478 CA VAL A 35 2.528 2.110 -4.556 1.00 0.00 C ATOM 479 C VAL A 35 3.865 2.432 -3.898 1.00 0.00 C ATOM 480 O VAL A 35 4.925 2.248 -4.496 1.00 0.00 O ATOM 481 CB VAL A 35 2.466 0.601 -4.854 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.928 -0.202 -3.647 1.00 0.00 C ATOM 483 CG2 VAL A 35 1.059 0.195 -5.266 1.00 0.00 C ATOM 0 H VAL A 35 3.152 2.941 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 35 1.718 2.372 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 35 3.139 0.386 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.877 -1.266 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.955 0.068 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.283 0.017 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.035 -0.875 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.363 0.425 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.770 0.744 -6.162 1.00 0.00 H new ATOM 493 N PHE A 36 3.807 2.915 -2.661 1.00 0.00 N ATOM 494 CA PHE A 36 5.013 3.265 -1.920 1.00 0.00 C ATOM 495 C PHE A 36 5.154 2.399 -0.672 1.00 0.00 C ATOM 496 O PHE A 36 4.173 1.846 -0.173 1.00 0.00 O ATOM 497 CB PHE A 36 4.987 4.744 -1.528 1.00 0.00 C ATOM 498 CG PHE A 36 6.002 5.105 -0.482 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.357 4.993 -0.745 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.600 5.557 0.765 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.294 5.325 0.216 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.532 5.892 1.729 1.00 0.00 C ATOM 503 CZ PHE A 36 7.880 5.773 1.455 1.00 0.00 C ATOM 0 H PHE A 36 2.938 3.073 -2.151 1.00 0.00 H new ATOM 0 HA PHE A 36 5.872 3.084 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.162 5.350 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.993 4.997 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.686 4.642 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.547 5.648 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.348 5.234 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.206 6.247 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.610 6.030 2.209 1.00 0.00 H new ATOM 513 N ILE A 37 6.380 2.286 -0.173 1.00 0.00 N ATOM 514 CA ILE A 37 6.651 1.488 1.017 1.00 0.00 C ATOM 515 C ILE A 37 7.353 2.317 2.086 1.00 0.00 C ATOM 516 O ILE A 37 8.573 2.482 2.076 1.00 0.00 O ATOM 517 CB ILE A 37 7.515 0.258 0.685 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.730 -0.725 -0.187 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.985 -0.420 1.964 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.598 -1.778 -0.840 1.00 0.00 C ATOM 0 H ILE A 37 7.202 2.737 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 37 5.687 1.151 1.398 1.00 0.00 H new ATOM 0 HB ILE A 37 8.392 0.589 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.974 -1.217 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.202 -0.169 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.595 -1.288 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.577 0.282 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.120 -0.740 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.976 -2.440 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.338 -1.295 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.106 -2.359 -0.070 1.00 0.00 H new ATOM 532 N PRO A 38 6.567 2.849 3.034 1.00 0.00 N ATOM 533 CA PRO A 38 7.094 3.668 4.131 1.00 0.00 C ATOM 534 C PRO A 38 7.907 2.848 5.127 1.00 0.00 C ATOM 535 O PRO A 38 7.625 1.672 5.357 1.00 0.00 O ATOM 536 CB PRO A 38 5.831 4.220 4.797 1.00 0.00 C ATOM 537 CG PRO A 38 4.767 3.232 4.471 1.00 0.00 C ATOM 538 CD PRO A 38 5.105 2.692 3.109 1.00 0.00 C ATOM 0 HA PRO A 38 7.777 4.439 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.963 4.318 5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.582 5.210 4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.737 2.432 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.784 3.703 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.807 1.649 3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.600 3.248 2.319 1.00 0.00 H new ATOM 546 N LYS A 39 8.917 3.477 5.717 1.00 0.00 N ATOM 547 CA LYS A 39 9.772 2.809 6.692 1.00 0.00 C ATOM 548 C LYS A 39 9.674 3.484 8.055 1.00 0.00 C ATOM 549 O LYS A 39 9.394 4.677 8.166 1.00 0.00 O ATOM 550 CB LYS A 39 11.225 2.809 6.212 1.00 0.00 C ATOM 551 CG LYS A 39 11.439 2.041 4.919 1.00 0.00 C ATOM 552 CD LYS A 39 12.364 0.853 5.124 1.00 0.00 C ATOM 553 CE LYS A 39 12.141 -0.216 4.065 1.00 0.00 C ATOM 554 NZ LYS A 39 12.511 -1.571 4.557 1.00 0.00 N ATOM 0 H LYS A 39 9.164 4.450 5.537 1.00 0.00 H new ATOM 0 HA LYS A 39 9.430 1.779 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.552 3.839 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.856 2.378 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.479 1.694 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.860 2.706 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.401 1.188 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.197 0.427 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.094 -0.213 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.730 0.022 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.344 -2.271 3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.516 -1.581 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.931 -1.809 5.387 1.00 0.00 H new ATOM 568 N PRO A 40 9.914 2.705 9.121 1.00 0.00 N ATOM 569 CA PRO A 40 10.249 1.283 9.002 1.00 0.00 C ATOM 570 C PRO A 40 9.064 0.445 8.534 1.00 0.00 C ATOM 571 O PRO A 40 7.945 0.608 9.019 1.00 0.00 O ATOM 572 CB PRO A 40 10.649 0.893 10.428 1.00 0.00 C ATOM 573 CG PRO A 40 9.937 1.867 11.301 1.00 0.00 C ATOM 574 CD PRO A 40 9.875 3.152 10.524 1.00 0.00 C ATOM 0 HA PRO A 40 11.030 1.109 8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.354 -0.131 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.729 0.953 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.937 1.511 11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.467 2.006 12.243 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.965 3.710 10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.714 3.806 10.761 1.00 0.00 H new ATOM 582 N PHE A 41 9.318 -0.452 7.588 1.00 0.00 N ATOM 583 CA PHE A 41 8.271 -1.316 7.052 1.00 0.00 C ATOM 584 C PHE A 41 8.023 -2.505 7.975 1.00 0.00 C ATOM 585 O PHE A 41 8.940 -3.264 8.289 1.00 0.00 O ATOM 586 CB PHE A 41 8.654 -1.811 5.656 1.00 0.00 C ATOM 587 CG PHE A 41 7.910 -3.045 5.233 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.314 -4.297 5.667 1.00 0.00 C ATOM 589 CD2 PHE A 41 6.806 -2.953 4.400 1.00 0.00 C ATOM 590 CE1 PHE A 41 7.631 -5.435 5.280 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.119 -4.087 4.010 1.00 0.00 C ATOM 592 CZ PHE A 41 6.532 -5.329 4.450 1.00 0.00 C ATOM 0 H PHE A 41 10.239 -0.600 7.176 1.00 0.00 H new ATOM 0 HA PHE A 41 7.352 -0.733 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.466 -1.017 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.724 -2.016 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.173 -4.385 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.479 -1.984 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.956 -6.405 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.260 -4.002 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.997 -6.216 4.146 1.00 0.00 H new ATOM 602 N ARG A 42 6.775 -2.660 8.407 1.00 0.00 N ATOM 603 CA ARG A 42 6.405 -3.755 9.296 1.00 0.00 C ATOM 604 C ARG A 42 5.227 -4.541 8.729 1.00 0.00 C ATOM 605 O ARG A 42 4.079 -4.320 9.112 1.00 0.00 O ATOM 606 CB ARG A 42 6.052 -3.217 10.684 1.00 0.00 C ATOM 607 CG ARG A 42 5.421 -4.255 11.597 1.00 0.00 C ATOM 608 CD ARG A 42 5.433 -3.801 13.048 1.00 0.00 C ATOM 609 NE ARG A 42 6.417 -4.532 13.842 1.00 0.00 N ATOM 610 CZ ARG A 42 6.884 -4.103 15.009 1.00 0.00 C ATOM 611 NH1 ARG A 42 6.460 -2.954 15.516 1.00 0.00 N ATOM 612 NH2 ARG A 42 7.779 -4.825 15.673 1.00 0.00 N ATOM 0 H ARG A 42 6.004 -2.041 8.156 1.00 0.00 H new ATOM 0 HA ARG A 42 7.260 -4.425 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.956 -2.832 11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.367 -2.377 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.395 -4.443 11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.960 -5.198 11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.652 -2.734 13.092 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.442 -3.941 13.480 1.00 0.00 H new ATOM 0 HE ARG A 42 6.764 -5.420 13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.773 -2.396 15.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.821 -2.628 16.413 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.108 -5.710 15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.137 -4.495 16.569 1.00 0.00 H new ATOM 626 N ALA A 43 5.521 -5.459 7.813 1.00 0.00 N ATOM 627 CA ALA A 43 4.486 -6.278 7.195 1.00 0.00 C ATOM 628 C ALA A 43 3.312 -5.423 6.730 1.00 0.00 C ATOM 629 O ALA A 43 2.162 -5.861 6.757 1.00 0.00 O ATOM 630 CB ALA A 43 4.009 -7.349 8.165 1.00 0.00 C ATOM 0 H ALA A 43 6.466 -5.653 7.483 1.00 0.00 H new ATOM 0 HA ALA A 43 4.918 -6.763 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.236 -7.953 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.848 -7.987 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.601 -6.875 9.058 1.00 0.00 H new ATOM 636 N PHE A 44 3.609 -4.198 6.306 1.00 0.00 N ATOM 637 CA PHE A 44 2.578 -3.281 5.838 1.00 0.00 C ATOM 638 C PHE A 44 3.144 -2.305 4.809 1.00 0.00 C ATOM 639 O PHE A 44 4.322 -1.950 4.857 1.00 0.00 O ATOM 640 CB PHE A 44 1.980 -2.507 7.015 1.00 0.00 C ATOM 641 CG PHE A 44 2.736 -1.254 7.355 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.564 -0.100 6.607 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.619 -1.230 8.423 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.259 1.053 6.918 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.317 -0.079 8.738 1.00 0.00 C ATOM 646 CZ PHE A 44 4.135 1.063 7.985 1.00 0.00 C ATOM 0 H PHE A 44 4.555 -3.819 6.277 1.00 0.00 H new ATOM 0 HA PHE A 44 1.793 -3.869 5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.948 -2.247 6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.955 -3.156 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.879 -0.102 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.763 -2.121 9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.117 1.946 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.003 -0.074 9.572 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.678 1.964 8.230 1.00 0.00 H new ATOM 656 N ALA A 45 2.297 -1.877 3.879 1.00 0.00 N ATOM 657 CA ALA A 45 2.711 -0.943 2.840 1.00 0.00 C ATOM 658 C ALA A 45 1.618 0.081 2.556 1.00 0.00 C ATOM 659 O ALA A 45 0.445 -0.150 2.849 1.00 0.00 O ATOM 660 CB ALA A 45 3.076 -1.696 1.569 1.00 0.00 C ATOM 0 H ALA A 45 1.319 -2.163 3.824 1.00 0.00 H new ATOM 0 HA ALA A 45 3.591 -0.407 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.383 -0.986 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.896 -2.384 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.211 -2.258 1.218 1.00 0.00 H new ATOM 666 N PHE A 46 2.011 1.215 1.984 1.00 0.00 N ATOM 667 CA PHE A 46 1.064 2.277 1.661 1.00 0.00 C ATOM 668 C PHE A 46 0.758 2.298 0.166 1.00 0.00 C ATOM 669 O PHE A 46 1.667 2.355 -0.663 1.00 0.00 O ATOM 670 CB PHE A 46 1.618 3.634 2.099 1.00 0.00 C ATOM 671 CG PHE A 46 0.691 4.781 1.812 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.380 5.048 2.649 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.891 5.590 0.707 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.235 6.103 2.389 1.00 0.00 C ATOM 675 CE2 PHE A 46 0.041 6.647 0.442 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.024 6.902 1.283 1.00 0.00 C ATOM 0 H PHE A 46 2.978 1.422 1.735 1.00 0.00 H new ATOM 0 HA PHE A 46 0.138 2.079 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.826 3.604 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.568 3.810 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.549 4.425 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.721 5.393 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.066 6.302 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.210 7.273 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.691 7.726 1.076 1.00 0.00 H new ATOM 686 N VAL A 47 -0.526 2.250 -0.169 1.00 0.00 N ATOM 687 CA VAL A 47 -0.953 2.264 -1.564 1.00 0.00 C ATOM 688 C VAL A 47 -1.915 3.415 -1.833 1.00 0.00 C ATOM 689 O VAL A 47 -2.846 3.655 -1.062 1.00 0.00 O ATOM 690 CB VAL A 47 -1.633 0.939 -1.956 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.100 0.985 -3.403 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.689 -0.232 -1.729 1.00 0.00 C ATOM 0 H VAL A 47 -1.290 2.201 0.505 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.055 2.396 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.508 0.799 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.578 0.040 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.814 1.799 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.243 1.149 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.186 -1.160 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.206 -0.101 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.410 -0.276 -0.676 1.00 0.00 H new ATOM 702 N THR A 48 -1.686 4.126 -2.932 1.00 0.00 N ATOM 703 CA THR A 48 -2.531 5.254 -3.303 1.00 0.00 C ATOM 704 C THR A 48 -3.392 4.919 -4.517 1.00 0.00 C ATOM 705 O THR A 48 -2.917 4.318 -5.481 1.00 0.00 O ATOM 706 CB THR A 48 -1.692 6.507 -3.614 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.821 6.797 -2.515 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.589 7.705 -3.886 1.00 0.00 C ATOM 0 H THR A 48 -0.922 3.940 -3.581 1.00 0.00 H new ATOM 0 HA THR A 48 -3.175 5.461 -2.448 1.00 0.00 H new ATOM 0 HB THR A 48 -1.098 6.308 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.175 6.386 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.974 8.578 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.231 7.492 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.205 7.904 -3.009 1.00 0.00 H new ATOM 716 N PHE A 49 -4.660 5.312 -4.463 1.00 0.00 N ATOM 717 CA PHE A 49 -5.588 5.055 -5.558 1.00 0.00 C ATOM 718 C PHE A 49 -6.018 6.358 -6.226 1.00 0.00 C ATOM 719 O PHE A 49 -6.085 7.404 -5.582 1.00 0.00 O ATOM 720 CB PHE A 49 -6.817 4.300 -5.047 1.00 0.00 C ATOM 721 CG PHE A 49 -6.600 2.820 -4.913 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.699 1.990 -6.019 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.295 2.259 -3.684 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.500 0.627 -5.898 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.095 0.897 -3.558 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.197 0.081 -4.667 1.00 0.00 C ATOM 0 H PHE A 49 -5.069 5.810 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.075 4.441 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.105 4.706 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.650 4.477 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.934 2.412 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.212 2.893 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.582 -0.010 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.859 0.472 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.040 -0.983 -4.571 1.00 0.00 H new ATOM 736 N ALA A 50 -6.308 6.284 -7.521 1.00 0.00 N ATOM 737 CA ALA A 50 -6.733 7.457 -8.275 1.00 0.00 C ATOM 738 C ALA A 50 -8.151 7.870 -7.896 1.00 0.00 C ATOM 739 O ALA A 50 -8.691 8.837 -8.433 1.00 0.00 O ATOM 740 CB ALA A 50 -6.643 7.184 -9.770 1.00 0.00 C ATOM 0 H ALA A 50 -6.256 5.425 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.064 8.281 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.963 8.068 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.613 6.945 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.288 6.343 -10.026 1.00 0.00 H new ATOM 746 N ASP A 51 -8.749 7.130 -6.968 1.00 0.00 N ATOM 747 CA ASP A 51 -10.105 7.421 -6.516 1.00 0.00 C ATOM 748 C ASP A 51 -10.346 6.852 -5.122 1.00 0.00 C ATOM 749 O ASP A 51 -10.092 5.673 -4.869 1.00 0.00 O ATOM 750 CB ASP A 51 -11.127 6.846 -7.499 1.00 0.00 C ATOM 751 CG ASP A 51 -11.849 7.925 -8.280 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.331 8.341 -9.337 1.00 0.00 O ATOM 753 OD2 ASP A 51 -12.933 8.356 -7.834 1.00 0.00 O ATOM 0 H ASP A 51 -8.317 6.325 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.223 8.504 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.621 6.176 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.856 6.248 -6.952 1.00 0.00 H new ATOM 758 N ASP A 52 -10.837 7.696 -4.221 1.00 0.00 N ATOM 759 CA ASP A 52 -11.113 7.276 -2.852 1.00 0.00 C ATOM 760 C ASP A 52 -12.219 6.227 -2.817 1.00 0.00 C ATOM 761 O ASP A 52 -12.275 5.401 -1.906 1.00 0.00 O ATOM 762 CB ASP A 52 -11.510 8.482 -1.998 1.00 0.00 C ATOM 763 CG ASP A 52 -12.155 8.075 -0.687 1.00 0.00 C ATOM 764 OD1 ASP A 52 -11.414 7.843 0.292 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.399 7.991 -0.639 1.00 0.00 O ATOM 0 H ASP A 52 -11.052 8.674 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.205 6.833 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.626 9.085 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.201 9.110 -2.560 1.00 0.00 H new ATOM 770 N GLN A 53 -13.096 6.265 -3.814 1.00 0.00 N ATOM 771 CA GLN A 53 -14.202 5.318 -3.896 1.00 0.00 C ATOM 772 C GLN A 53 -13.686 3.886 -3.984 1.00 0.00 C ATOM 773 O GLN A 53 -14.343 2.949 -3.528 1.00 0.00 O ATOM 774 CB GLN A 53 -15.081 5.631 -5.108 1.00 0.00 C ATOM 775 CG GLN A 53 -15.928 6.882 -4.937 1.00 0.00 C ATOM 776 CD GLN A 53 -17.235 6.809 -5.703 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.316 6.841 -5.115 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.142 6.712 -7.024 1.00 0.00 N ATOM 0 H GLN A 53 -13.063 6.941 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.799 5.415 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.446 5.749 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.737 4.782 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.139 7.032 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.361 7.750 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.225 6.689 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -17.987 6.661 -7.592 1.00 0.00 H new ATOM 787 N ILE A 54 -12.506 3.722 -4.572 1.00 0.00 N ATOM 788 CA ILE A 54 -11.902 2.404 -4.719 1.00 0.00 C ATOM 789 C ILE A 54 -11.134 2.008 -3.462 1.00 0.00 C ATOM 790 O ILE A 54 -11.071 0.832 -3.106 1.00 0.00 O ATOM 791 CB ILE A 54 -10.947 2.353 -5.927 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.664 2.830 -7.191 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.407 0.943 -6.116 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.752 2.959 -8.392 1.00 0.00 C ATOM 0 H ILE A 54 -11.949 4.486 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.718 1.700 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.106 3.020 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.467 2.132 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.129 3.796 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.734 0.923 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.864 0.638 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.236 0.256 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.328 3.301 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.963 3.679 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.307 1.990 -8.617 1.00 0.00 H new ATOM 806 N ALA A 55 -10.554 2.998 -2.793 1.00 0.00 N ATOM 807 CA ALA A 55 -9.794 2.754 -1.573 1.00 0.00 C ATOM 808 C ALA A 55 -10.721 2.453 -0.401 1.00 0.00 C ATOM 809 O ALA A 55 -10.334 1.771 0.548 1.00 0.00 O ATOM 810 CB ALA A 55 -8.909 3.950 -1.255 1.00 0.00 C ATOM 0 H ALA A 55 -10.596 3.977 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.162 1.881 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.347 3.754 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.215 4.119 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.530 4.835 -1.116 1.00 0.00 H new ATOM 816 N GLN A 56 -11.945 2.967 -0.473 1.00 0.00 N ATOM 817 CA GLN A 56 -12.926 2.752 0.586 1.00 0.00 C ATOM 818 C GLN A 56 -13.627 1.409 0.414 1.00 0.00 C ATOM 819 O GLN A 56 -13.739 0.631 1.361 1.00 0.00 O ATOM 820 CB GLN A 56 -13.956 3.882 0.590 1.00 0.00 C ATOM 821 CG GLN A 56 -13.738 4.902 1.697 1.00 0.00 C ATOM 822 CD GLN A 56 -14.925 5.010 2.633 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.927 5.650 2.312 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.819 4.383 3.799 1.00 0.00 N ATOM 0 H GLN A 56 -12.281 3.534 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.399 2.746 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.927 4.392 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.953 3.453 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.852 4.627 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.540 5.878 1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.970 3.864 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.587 4.420 4.470 1.00 0.00 H new ATOM 833 N SER A 57 -14.098 1.144 -0.800 1.00 0.00 N ATOM 834 CA SER A 57 -14.792 -0.104 -1.095 1.00 0.00 C ATOM 835 C SER A 57 -13.962 -1.306 -0.655 1.00 0.00 C ATOM 836 O SER A 57 -14.503 -2.352 -0.295 1.00 0.00 O ATOM 837 CB SER A 57 -15.097 -0.201 -2.591 1.00 0.00 C ATOM 838 OG SER A 57 -16.337 -0.850 -2.817 1.00 0.00 O ATOM 0 H SER A 57 -14.012 1.777 -1.595 1.00 0.00 H new ATOM 0 HA SER A 57 -15.729 -0.109 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.121 0.798 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.299 -0.748 -3.093 1.00 0.00 H new ATOM 0 HG SER A 57 -16.510 -0.898 -3.780 1.00 0.00 H new ATOM 844 N LEU A 58 -12.643 -1.148 -0.686 1.00 0.00 N ATOM 845 CA LEU A 58 -11.735 -2.219 -0.291 1.00 0.00 C ATOM 846 C LEU A 58 -11.582 -2.270 1.226 1.00 0.00 C ATOM 847 O LEU A 58 -11.246 -3.313 1.791 1.00 0.00 O ATOM 848 CB LEU A 58 -10.367 -2.022 -0.946 1.00 0.00 C ATOM 849 CG LEU A 58 -10.136 -2.776 -2.257 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.764 -2.450 -2.826 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.285 -4.275 -2.043 1.00 0.00 C ATOM 0 H LEU A 58 -12.179 -0.289 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.159 -3.165 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.226 -0.957 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.599 -2.326 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.890 -2.455 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.618 -2.995 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.695 -1.379 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.995 -2.741 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.117 -4.796 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.554 -4.612 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.290 -4.493 -1.682 1.00 0.00 H new ATOM 863 N CYS A 59 -11.831 -1.141 1.880 1.00 0.00 N ATOM 864 CA CYS A 59 -11.723 -1.058 3.332 1.00 0.00 C ATOM 865 C CYS A 59 -12.637 -2.077 4.005 1.00 0.00 C ATOM 866 O CYS A 59 -13.857 -1.925 4.010 1.00 0.00 O ATOM 867 CB CYS A 59 -12.073 0.352 3.811 1.00 0.00 C ATOM 868 SG CYS A 59 -10.991 0.978 5.116 1.00 0.00 S ATOM 0 H CYS A 59 -12.109 -0.270 1.428 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.693 -1.283 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.031 1.033 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.101 0.356 4.173 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.486 2.079 5.599 1.00 0.00 H new ATOM 874 N GLY A 60 -12.035 -3.119 4.570 1.00 0.00 N ATOM 875 CA GLY A 60 -12.810 -4.151 5.237 1.00 0.00 C ATOM 876 C GLY A 60 -12.872 -5.436 4.436 1.00 0.00 C ATOM 877 O GLY A 60 -13.413 -6.438 4.903 1.00 0.00 O ATOM 0 H GLY A 60 -11.026 -3.268 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.372 -4.356 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.822 -3.786 5.412 1.00 0.00 H new ATOM 881 N GLU A 61 -12.320 -5.408 3.227 1.00 0.00 N ATOM 882 CA GLU A 61 -12.318 -6.580 2.361 1.00 0.00 C ATOM 883 C GLU A 61 -11.020 -7.367 2.513 1.00 0.00 C ATOM 884 O GLU A 61 -9.946 -6.788 2.673 1.00 0.00 O ATOM 885 CB GLU A 61 -12.507 -6.163 0.901 1.00 0.00 C ATOM 886 CG GLU A 61 -13.731 -5.292 0.670 1.00 0.00 C ATOM 887 CD GLU A 61 -14.420 -5.594 -0.646 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.751 -6.775 -0.886 1.00 0.00 O ATOM 889 OE2 GLU A 61 -14.630 -4.650 -1.437 1.00 0.00 O ATOM 0 H GLU A 61 -11.869 -4.586 2.826 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.148 -7.221 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.620 -5.624 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.587 -7.058 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.437 -5.439 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.435 -4.243 0.689 1.00 0.00 H new ATOM 896 N ASP A 62 -11.127 -8.690 2.461 1.00 0.00 N ATOM 897 CA ASP A 62 -9.963 -9.558 2.592 1.00 0.00 C ATOM 898 C ASP A 62 -9.551 -10.124 1.237 1.00 0.00 C ATOM 899 O ASP A 62 -10.293 -10.890 0.621 1.00 0.00 O ATOM 900 CB ASP A 62 -10.258 -10.699 3.567 1.00 0.00 C ATOM 901 CG ASP A 62 -11.653 -11.265 3.392 1.00 0.00 C ATOM 902 OD1 ASP A 62 -11.962 -11.750 2.282 1.00 0.00 O ATOM 903 OD2 ASP A 62 -12.436 -11.224 4.363 1.00 0.00 O ATOM 0 H ASP A 62 -12.009 -9.185 2.329 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.138 -8.961 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.526 -11.494 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.141 -10.339 4.589 1.00 0.00 H new ATOM 908 N LEU A 63 -8.365 -9.741 0.776 1.00 0.00 N ATOM 909 CA LEU A 63 -7.855 -10.209 -0.507 1.00 0.00 C ATOM 910 C LEU A 63 -6.651 -11.126 -0.313 1.00 0.00 C ATOM 911 O LEU A 63 -5.852 -10.930 0.602 1.00 0.00 O ATOM 912 CB LEU A 63 -7.469 -9.021 -1.389 1.00 0.00 C ATOM 913 CG LEU A 63 -8.202 -7.709 -1.107 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.390 -6.525 -1.607 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.582 -7.721 -1.748 1.00 0.00 C ATOM 0 H LEU A 63 -7.739 -9.107 1.272 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.645 -10.777 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.399 -8.846 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.643 -9.295 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.325 -7.609 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.928 -5.600 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.425 -6.506 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.234 -6.618 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.089 -6.780 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.481 -7.845 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.165 -8.547 -1.341 1.00 0.00 H new ATOM 927 N ILE A 64 -6.527 -12.123 -1.181 1.00 0.00 N ATOM 928 CA ILE A 64 -5.419 -13.067 -1.107 1.00 0.00 C ATOM 929 C ILE A 64 -4.409 -12.817 -2.222 1.00 0.00 C ATOM 930 O ILE A 64 -4.767 -12.768 -3.398 1.00 0.00 O ATOM 931 CB ILE A 64 -5.913 -14.523 -1.195 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.980 -14.788 -0.131 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.747 -15.488 -1.034 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.551 -14.397 1.266 1.00 0.00 C ATOM 0 H ILE A 64 -7.180 -12.299 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.937 -12.913 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.359 -14.681 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.885 -14.239 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.236 -15.848 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.112 -16.513 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.017 -15.312 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.276 -15.331 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.357 -14.613 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.664 -14.965 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.323 -13.331 1.292 1.00 0.00 H new ATOM 946 N ILE A 65 -3.144 -12.660 -1.843 1.00 0.00 N ATOM 947 CA ILE A 65 -2.082 -12.419 -2.809 1.00 0.00 C ATOM 948 C ILE A 65 -0.956 -13.436 -2.656 1.00 0.00 C ATOM 949 O ILE A 65 -0.267 -13.466 -1.636 1.00 0.00 O ATOM 950 CB ILE A 65 -1.500 -11.000 -2.664 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.628 -9.967 -2.598 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.560 -10.692 -3.820 1.00 0.00 C ATOM 953 CD1 ILE A 65 -2.146 -8.565 -2.299 1.00 0.00 C ATOM 0 H ILE A 65 -2.831 -12.696 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.528 -12.521 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.931 -10.950 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.163 -9.964 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.342 -10.269 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.157 -9.686 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.258 -11.412 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.107 -10.757 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.998 -7.886 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.637 -8.553 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.455 -8.244 -3.079 1.00 0.00 H new ATOM 965 N LYS A 66 -0.773 -14.267 -3.676 1.00 0.00 N ATOM 966 CA LYS A 66 0.271 -15.284 -3.657 1.00 0.00 C ATOM 967 C LYS A 66 -0.041 -16.364 -2.625 1.00 0.00 C ATOM 968 O LYS A 66 0.786 -17.235 -2.356 1.00 0.00 O ATOM 969 CB LYS A 66 1.628 -14.647 -3.350 1.00 0.00 C ATOM 970 CG LYS A 66 1.882 -13.359 -4.115 1.00 0.00 C ATOM 971 CD LYS A 66 3.344 -13.221 -4.504 1.00 0.00 C ATOM 972 CE LYS A 66 3.633 -13.901 -5.833 1.00 0.00 C ATOM 973 NZ LYS A 66 3.192 -13.073 -6.989 1.00 0.00 N ATOM 0 H LYS A 66 -1.335 -14.256 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 66 0.310 -15.748 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.691 -14.443 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.417 -15.361 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.263 -13.339 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.585 -12.507 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.606 -12.165 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.971 -13.657 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.702 -14.098 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.127 -14.866 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.908 -13.695 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.384 -12.483 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.975 -12.463 -7.298 1.00 0.00 H new ATOM 987 N GLY A 67 -1.239 -16.301 -2.052 1.00 0.00 N ATOM 988 CA GLY A 67 -1.638 -17.281 -1.058 1.00 0.00 C ATOM 989 C GLY A 67 -1.805 -16.672 0.320 1.00 0.00 C ATOM 990 O GLY A 67 -2.503 -17.226 1.169 1.00 0.00 O ATOM 0 H GLY A 67 -1.940 -15.589 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.576 -17.743 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.892 -18.074 -1.014 1.00 0.00 H new ATOM 994 N ILE A 68 -1.160 -15.532 0.543 1.00 0.00 N ATOM 995 CA ILE A 68 -1.241 -14.849 1.829 1.00 0.00 C ATOM 996 C ILE A 68 -2.533 -14.049 1.946 1.00 0.00 C ATOM 997 O ILE A 68 -3.198 -13.773 0.947 1.00 0.00 O ATOM 998 CB ILE A 68 -0.044 -13.903 2.040 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.164 -12.682 1.126 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.263 -14.637 1.783 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.233 -11.371 1.876 1.00 0.00 C ATOM 0 H ILE A 68 -0.576 -15.062 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.224 -15.621 2.598 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.048 -13.561 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.690 -12.660 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.057 -12.786 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.099 -13.955 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.350 -15.478 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.278 -15.005 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.317 -10.549 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.103 -11.373 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.671 -11.245 2.472 1.00 0.00 H new ATOM 1013 N SER A 69 -2.884 -13.677 3.173 1.00 0.00 N ATOM 1014 CA SER A 69 -4.099 -12.910 3.422 1.00 0.00 C ATOM 1015 C SER A 69 -3.762 -11.488 3.865 1.00 0.00 C ATOM 1016 O SER A 69 -3.205 -11.277 4.942 1.00 0.00 O ATOM 1017 CB SER A 69 -4.953 -13.599 4.488 1.00 0.00 C ATOM 1018 OG SER A 69 -6.308 -13.194 4.395 1.00 0.00 O ATOM 0 H SER A 69 -2.344 -13.894 4.010 1.00 0.00 H new ATOM 0 HA SER A 69 -4.664 -12.859 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.884 -14.680 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.566 -13.361 5.479 1.00 0.00 H new ATOM 0 HG SER A 69 -6.834 -13.649 5.086 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.105 -10.517 3.025 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.840 -9.116 3.327 1.00 0.00 C ATOM 1026 C VAL A 70 -5.107 -8.407 3.794 1.00 0.00 C ATOM 1027 O VAL A 70 -6.209 -8.721 3.344 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.271 -8.374 2.104 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -2.138 -9.171 1.476 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.370 -8.103 1.087 1.00 0.00 C ATOM 0 H VAL A 70 -4.567 -10.675 2.130 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.100 -9.099 4.127 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.870 -7.416 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.748 -8.631 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.342 -9.310 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.511 -10.144 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.950 -7.578 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.802 -9.048 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.146 -7.489 1.544 1.00 0.00 H new ATOM 1040 N HIS A 71 -4.942 -7.448 4.701 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.072 -6.693 5.230 1.00 0.00 C ATOM 1042 C HIS A 71 -6.045 -5.253 4.727 1.00 0.00 C ATOM 1043 O HIS A 71 -5.075 -4.526 4.948 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.056 -6.713 6.758 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.017 -5.746 7.379 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.076 -6.141 8.170 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.073 -4.395 7.324 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -8.742 -5.073 8.573 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.155 -4.001 8.073 1.00 0.00 N ATOM 0 H HIS A 71 -4.037 -7.176 5.084 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.990 -7.165 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.292 -7.720 7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.048 -6.485 7.106 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.308 -7.106 8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.393 -3.747 6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.618 -5.076 9.204 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.114 -4.847 4.050 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.211 -3.493 3.517 1.00 0.00 C ATOM 1059 C ILE A 72 -7.923 -2.567 4.498 1.00 0.00 C ATOM 1060 O ILE A 72 -9.077 -2.796 4.858 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.960 -3.470 2.173 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.368 -4.508 1.216 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.902 -2.080 1.557 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.976 -4.162 0.736 1.00 0.00 C ATOM 0 H ILE A 72 -7.925 -5.436 3.858 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.191 -3.141 3.362 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.005 -3.723 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.341 -5.477 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.026 -4.612 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.436 -2.080 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.366 -1.362 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.862 -1.800 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.619 -4.941 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.000 -3.208 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.304 -4.087 1.591 1.00 0.00 H new ATOM 1076 N SER A 73 -7.226 -1.518 4.925 1.00 0.00 N ATOM 1077 CA SER A 73 -7.789 -0.557 5.866 1.00 0.00 C ATOM 1078 C SER A 73 -7.333 0.860 5.533 1.00 0.00 C ATOM 1079 O SER A 73 -6.282 1.058 4.925 1.00 0.00 O ATOM 1080 CB SER A 73 -7.383 -0.913 7.297 1.00 0.00 C ATOM 1081 OG SER A 73 -8.406 -0.573 8.217 1.00 0.00 O ATOM 0 H SER A 73 -6.270 -1.312 4.634 1.00 0.00 H new ATOM 0 HA SER A 73 -8.875 -0.599 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.170 -1.980 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.465 -0.388 7.559 1.00 0.00 H new ATOM 0 HG SER A 73 -8.123 -0.812 9.124 1.00 0.00 H new ATOM 1087 N ASN A 74 -8.132 1.843 5.938 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.811 3.242 5.683 1.00 0.00 C ATOM 1089 C ASN A 74 -7.483 3.971 6.983 1.00 0.00 C ATOM 1090 O ASN A 74 -8.357 4.184 7.823 1.00 0.00 O ATOM 1091 CB ASN A 74 -8.978 3.935 4.977 1.00 0.00 C ATOM 1092 CG ASN A 74 -8.924 5.444 5.115 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -9.817 6.056 5.702 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -7.874 6.051 4.575 1.00 0.00 N ATOM 0 H ASN A 74 -9.006 1.696 6.444 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.934 3.275 5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.969 3.669 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.918 3.569 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.783 7.065 4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.158 5.503 4.098 1.00 0.00 H new ATOM 1101 N ALA A 75 -6.220 4.351 7.140 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.778 5.058 8.336 1.00 0.00 C ATOM 1103 C ALA A 75 -4.891 6.245 7.976 1.00 0.00 C ATOM 1104 O ALA A 75 -4.194 6.225 6.962 1.00 0.00 O ATOM 1105 CB ALA A 75 -5.038 4.108 9.267 1.00 0.00 C ATOM 0 H ALA A 75 -5.484 4.181 6.454 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.661 5.440 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.714 4.649 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.702 3.294 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.168 3.699 8.753 1.00 0.00 H new ATOM 1111 N GLU A 76 -4.924 7.277 8.813 1.00 0.00 N ATOM 1112 CA GLU A 76 -4.124 8.473 8.580 1.00 0.00 C ATOM 1113 C GLU A 76 -3.488 8.965 9.877 1.00 0.00 C ATOM 1114 O GLU A 76 -4.076 9.740 10.632 1.00 0.00 O ATOM 1115 CB GLU A 76 -4.986 9.581 7.972 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.688 9.170 6.688 1.00 0.00 C ATOM 1117 CD GLU A 76 -7.047 9.824 6.530 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -7.106 11.072 6.513 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -8.052 9.090 6.424 1.00 0.00 O ATOM 0 H GLU A 76 -5.495 7.309 9.657 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.329 8.215 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.734 9.890 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.358 10.449 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.061 9.433 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.807 8.087 6.674 1.00 0.00 H new ATOM 1126 N PRO A 77 -2.258 8.501 10.146 1.00 0.00 N ATOM 1127 CA PRO A 77 -1.516 8.879 11.352 1.00 0.00 C ATOM 1128 C PRO A 77 -1.068 10.337 11.324 1.00 0.00 C ATOM 1129 O PRO A 77 -0.686 10.859 10.277 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.303 7.946 11.329 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.118 7.600 9.892 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.497 7.574 9.292 1.00 0.00 C ATOM 0 HA PRO A 77 -2.125 8.786 12.251 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.582 8.437 11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.478 7.055 11.931 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.512 8.335 9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.373 6.633 9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.489 7.900 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.923 6.571 9.308 1.00 0.00 H new ATOM 1140 N LYS A 78 -1.117 10.988 12.482 1.00 0.00 N ATOM 1141 CA LYS A 78 -0.714 12.385 12.591 1.00 0.00 C ATOM 1142 C LYS A 78 0.783 12.501 12.861 1.00 0.00 C ATOM 1143 O LYS A 78 1.387 11.605 13.453 1.00 0.00 O ATOM 1144 CB LYS A 78 -1.500 13.078 13.706 1.00 0.00 C ATOM 1145 CG LYS A 78 -1.258 12.480 15.082 1.00 0.00 C ATOM 1146 CD LYS A 78 -2.506 11.800 15.621 1.00 0.00 C ATOM 1147 CE LYS A 78 -3.241 12.690 16.612 1.00 0.00 C ATOM 1148 NZ LYS A 78 -3.268 12.095 17.978 1.00 0.00 N ATOM 0 H LYS A 78 -1.432 10.570 13.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.932 12.875 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.232 14.134 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.564 13.023 13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.443 11.758 15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.943 13.264 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.170 11.548 14.794 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.231 10.863 16.106 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.758 13.666 16.651 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.262 12.853 16.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.777 12.731 18.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.751 11.175 17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.294 11.963 18.319 1.00 0.00 H new ATOM 1162 N HIS A 79 1.374 13.608 12.428 1.00 0.00 N ATOM 1163 CA HIS A 79 2.801 13.842 12.625 1.00 0.00 C ATOM 1164 C HIS A 79 3.201 15.223 12.119 1.00 0.00 C ATOM 1165 O HIS A 79 2.619 15.738 11.164 1.00 0.00 O ATOM 1166 CB HIS A 79 3.618 12.766 11.909 1.00 0.00 C ATOM 1167 CG HIS A 79 4.577 12.046 12.807 1.00 0.00 C ATOM 1168 ND1 HIS A 79 4.171 11.218 13.831 1.00 0.00 N ATOM 1169 CD2 HIS A 79 5.930 12.033 12.827 1.00 0.00 C ATOM 1170 CE1 HIS A 79 5.233 10.726 14.444 1.00 0.00 C ATOM 1171 NE2 HIS A 79 6.314 11.205 13.854 1.00 0.00 N ATOM 0 H HIS A 79 0.888 14.359 11.938 1.00 0.00 H new ATOM 0 HA HIS A 79 3.008 13.794 13.694 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.937 12.041 11.462 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.174 13.227 11.092 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.202 11.016 14.077 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.586 12.573 12.160 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.220 10.048 15.284 1.00 0.00 H new ATOM 1179 N ASN A 80 4.197 15.820 12.765 1.00 0.00 N ATOM 1180 CA ASN A 80 4.674 17.144 12.380 1.00 0.00 C ATOM 1181 C ASN A 80 6.191 17.237 12.520 1.00 0.00 C ATOM 1182 O ASN A 80 6.737 17.040 13.605 1.00 0.00 O ATOM 1183 CB ASN A 80 4.004 18.218 13.238 1.00 0.00 C ATOM 1184 CG ASN A 80 2.536 17.931 13.483 1.00 0.00 C ATOM 1185 OD1 ASN A 80 1.677 18.296 12.680 1.00 0.00 O ATOM 1186 ND2 ASN A 80 2.240 17.273 14.598 1.00 0.00 N ATOM 0 H ASN A 80 4.690 15.408 13.558 1.00 0.00 H new ATOM 0 HA ASN A 80 4.413 17.308 11.335 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.522 18.290 14.195 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.105 19.186 12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.269 17.051 14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.984 16.989 15.236 1.00 0.00 H new ATOM 1193 N SER A 81 6.863 17.541 11.414 1.00 0.00 N ATOM 1194 CA SER A 81 8.317 17.657 11.413 1.00 0.00 C ATOM 1195 C SER A 81 8.822 18.144 10.058 1.00 0.00 C ATOM 1196 O SER A 81 8.058 18.239 9.098 1.00 0.00 O ATOM 1197 CB SER A 81 8.959 16.312 11.756 1.00 0.00 C ATOM 1198 OG SER A 81 10.018 16.473 12.683 1.00 0.00 O ATOM 0 H SER A 81 6.425 17.711 10.509 1.00 0.00 H new ATOM 0 HA SER A 81 8.598 18.388 12.171 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.206 15.642 12.172 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.336 15.843 10.847 1.00 0.00 H new ATOM 0 HG SER A 81 10.410 15.598 12.887 1.00 0.00 H new ATOM 1204 N ASN A 82 10.112 18.451 9.989 1.00 0.00 N ATOM 1205 CA ASN A 82 10.720 18.930 8.753 1.00 0.00 C ATOM 1206 C ASN A 82 12.228 18.698 8.762 1.00 0.00 C ATOM 1207 O ASN A 82 12.944 19.242 9.603 1.00 0.00 O ATOM 1208 CB ASN A 82 10.423 20.418 8.555 1.00 0.00 C ATOM 1209 CG ASN A 82 11.005 21.275 9.662 1.00 0.00 C ATOM 1210 OD1 ASN A 82 11.398 20.769 10.713 1.00 0.00 O ATOM 1211 ND2 ASN A 82 11.063 22.581 9.430 1.00 0.00 N ATOM 0 H ASN A 82 10.758 18.377 10.775 1.00 0.00 H new ATOM 0 HA ASN A 82 10.288 18.367 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.828 20.742 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.344 20.568 8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.445 23.208 10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.726 22.957 8.544 1.00 0.00 H new ATOM 1218 N SER A 83 12.702 17.888 7.821 1.00 0.00 N ATOM 1219 CA SER A 83 14.125 17.582 7.723 1.00 0.00 C ATOM 1220 C SER A 83 14.945 18.857 7.553 1.00 0.00 C ATOM 1221 O SER A 83 14.571 19.752 6.797 1.00 0.00 O ATOM 1222 CB SER A 83 14.385 16.634 6.550 1.00 0.00 C ATOM 1223 OG SER A 83 15.562 15.874 6.760 1.00 0.00 O ATOM 0 H SER A 83 12.123 17.432 7.116 1.00 0.00 H new ATOM 0 HA SER A 83 14.431 17.095 8.649 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.534 15.965 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.479 17.208 5.628 1.00 0.00 H new ATOM 0 HG SER A 83 15.705 15.275 5.998 1.00 0.00 H new ATOM 1229 N GLY A 84 16.067 18.931 8.264 1.00 0.00 N ATOM 1230 CA GLY A 84 16.923 20.100 8.178 1.00 0.00 C ATOM 1231 C GLY A 84 17.458 20.527 9.530 1.00 0.00 C ATOM 1232 O GLY A 84 17.103 21.582 10.058 1.00 0.00 O ATOM 0 H GLY A 84 16.398 18.203 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.758 19.887 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.364 20.924 7.735 1.00 0.00 H new ATOM 1236 N PRO A 85 18.331 19.694 10.114 1.00 0.00 N ATOM 1237 CA PRO A 85 18.934 19.970 11.423 1.00 0.00 C ATOM 1238 C PRO A 85 19.923 21.129 11.372 1.00 0.00 C ATOM 1239 O PRO A 85 19.962 21.964 12.276 1.00 0.00 O ATOM 1240 CB PRO A 85 19.658 18.664 11.762 1.00 0.00 C ATOM 1241 CG PRO A 85 19.943 18.035 10.441 1.00 0.00 C ATOM 1242 CD PRO A 85 18.800 18.420 9.544 1.00 0.00 C ATOM 0 HA PRO A 85 18.189 20.264 12.162 1.00 0.00 H new ATOM 0 HB2 PRO A 85 20.577 18.853 12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.038 18.017 12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 85 20.892 18.388 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.019 16.952 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 85 19.123 18.538 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 85 18.014 17.665 9.548 1.00 0.00 H new ATOM 1250 N SER A 86 20.721 21.176 10.310 1.00 0.00 N ATOM 1251 CA SER A 86 21.712 22.232 10.144 1.00 0.00 C ATOM 1252 C SER A 86 21.695 22.774 8.718 1.00 0.00 C ATOM 1253 O SER A 86 21.346 22.063 7.776 1.00 0.00 O ATOM 1254 CB SER A 86 23.108 21.708 10.486 1.00 0.00 C ATOM 1255 OG SER A 86 23.416 20.549 9.732 1.00 0.00 O ATOM 0 H SER A 86 20.700 20.494 9.551 1.00 0.00 H new ATOM 0 HA SER A 86 21.459 23.044 10.826 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.849 22.482 10.288 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.163 21.479 11.550 1.00 0.00 H new ATOM 0 HG SER A 86 24.314 20.235 9.967 1.00 0.00 H new ATOM 1261 N SER A 87 22.075 24.039 8.568 1.00 0.00 N ATOM 1262 CA SER A 87 22.099 24.680 7.258 1.00 0.00 C ATOM 1263 C SER A 87 23.427 24.419 6.551 1.00 0.00 C ATOM 1264 O SER A 87 24.384 25.175 6.707 1.00 0.00 O ATOM 1265 CB SER A 87 21.871 26.186 7.399 1.00 0.00 C ATOM 1266 OG SER A 87 20.590 26.459 7.942 1.00 0.00 O ATOM 0 H SER A 87 22.370 24.640 9.337 1.00 0.00 H new ATOM 0 HA SER A 87 21.296 24.253 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.641 26.615 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.966 26.664 6.424 1.00 0.00 H new ATOM 0 HG SER A 87 20.469 27.428 8.024 1.00 0.00 H new ATOM 1272 N GLY A 88 23.473 23.342 5.773 1.00 0.00 N ATOM 1273 CA GLY A 88 24.686 22.999 5.052 1.00 0.00 C ATOM 1274 C GLY A 88 24.920 21.503 4.991 1.00 0.00 C ATOM 1275 O GLY A 88 25.951 21.010 5.450 1.00 0.00 O ATOM 0 H GLY A 88 22.693 22.701 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 88 24.627 23.396 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 88 25.539 23.478 5.533 1.00 0.00 H new TER 1279 GLY A 88