USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 739 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 49 HIS :FLIP no HE2:sc= -0.305 F(o=-2,f=-0.08) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.225 K(o=-0.08,f=-3.4!) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.86 K(o=-2.9,f=-3.7!) USER MOD Set 2.2: A 45 THR OG1 : rot -38:sc= -0.0215 USER MOD Set 3.1: A 29 CYS SG : rot -121:sc= 0.665 USER MOD Set 3.2: A 79 CYS SG : rot 160:sc= 0.94 USER MOD Set 4.1: A 24 MET CE :methyl 139:sc= -0.249 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -2.11 K(o=-2.4,f=-5.6!) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 170:sc= -2.13 (180deg=-2.17) USER MOD Single : A 18 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -178:sc= 0 (180deg=-0.00658) USER MOD Single : A 35 SER OG : rot -170:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 74:sc= -0.208 USER MOD Single : A 51 SER OG : rot -82:sc= 1.26 USER MOD Single : A 53 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-9.4!) USER MOD Single : A 57 SER OG : rot 66:sc= 0.116 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -8.95! C(o=-11!,f=-9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 77 TYR OH : rot -21:sc= 0.679 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -173:sc= -4.25 (180deg=-4.66) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.906 K(o=-0.91,f=-2.9!) USER MOD Single : A 87 ASN : amide:sc= -1.79! C(o=-1.8!,f=-4.3!) USER MOD Single : A 88 SER OG : rot -150:sc= -0.583 USER MOD Single : A 89 ASN : amide:sc= -0.636 K(o=-0.64,f=-5.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -2.19! C(o=-4.8!,f=-2.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 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 27.335 3.908 3.763 1.00 0.00 N ATOM 2 CA GLY A 1 27.446 4.879 2.690 1.00 0.00 C ATOM 3 C GLY A 1 26.211 4.915 1.812 1.00 0.00 C ATOM 4 O GLY A 1 25.110 5.193 2.288 1.00 0.00 O ATOM 0 H1 GLY A 1 28.204 3.922 4.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.521 4.147 4.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.201 2.959 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.615 5.868 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.316 4.642 2.078 1.00 0.00 H new ATOM 8 N SER A 2 26.393 4.636 0.525 1.00 0.00 N ATOM 9 CA SER A 2 25.285 4.643 -0.423 1.00 0.00 C ATOM 10 C SER A 2 25.260 3.355 -1.240 1.00 0.00 C ATOM 11 O SER A 2 26.291 2.905 -1.741 1.00 0.00 O ATOM 12 CB SER A 2 25.393 5.851 -1.356 1.00 0.00 C ATOM 13 OG SER A 2 25.589 7.047 -0.622 1.00 0.00 O ATOM 0 H SER A 2 27.297 4.402 0.115 1.00 0.00 H new ATOM 0 HA SER A 2 24.356 4.711 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.222 5.706 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.487 5.933 -1.956 1.00 0.00 H new ATOM 0 HG SER A 2 25.657 7.804 -1.241 1.00 0.00 H new ATOM 19 N SER A 3 24.075 2.767 -1.370 1.00 0.00 N ATOM 20 CA SER A 3 23.915 1.528 -2.122 1.00 0.00 C ATOM 21 C SER A 3 22.969 1.728 -3.302 1.00 0.00 C ATOM 22 O SER A 3 22.592 0.772 -3.979 1.00 0.00 O ATOM 23 CB SER A 3 23.387 0.418 -1.212 1.00 0.00 C ATOM 24 OG SER A 3 21.971 0.441 -1.150 1.00 0.00 O ATOM 0 H SER A 3 23.212 3.129 -0.964 1.00 0.00 H new ATOM 0 HA SER A 3 24.892 1.237 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.722 -0.551 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.800 0.537 -0.210 1.00 0.00 H new ATOM 0 HG SER A 3 21.657 -0.279 -0.564 1.00 0.00 H new ATOM 30 N GLY A 4 22.588 2.979 -3.542 1.00 0.00 N ATOM 31 CA GLY A 4 21.689 3.283 -4.640 1.00 0.00 C ATOM 32 C GLY A 4 22.144 4.482 -5.448 1.00 0.00 C ATOM 33 O GLY A 4 22.055 5.620 -4.987 1.00 0.00 O ATOM 0 H GLY A 4 22.886 3.787 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.614 2.415 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.690 3.472 -4.246 1.00 0.00 H new ATOM 37 N SER A 5 22.635 4.228 -6.656 1.00 0.00 N ATOM 38 CA SER A 5 23.112 5.295 -7.528 1.00 0.00 C ATOM 39 C SER A 5 22.096 6.430 -7.603 1.00 0.00 C ATOM 40 O SER A 5 22.400 7.574 -7.263 1.00 0.00 O ATOM 41 CB SER A 5 23.390 4.751 -8.931 1.00 0.00 C ATOM 42 OG SER A 5 24.011 5.731 -9.744 1.00 0.00 O ATOM 0 H SER A 5 22.713 3.292 -7.054 1.00 0.00 H new ATOM 0 HA SER A 5 24.038 5.687 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.030 3.871 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.456 4.430 -9.392 1.00 0.00 H new ATOM 0 HG SER A 5 24.180 5.358 -10.635 1.00 0.00 H new ATOM 48 N SER A 6 20.887 6.105 -8.050 1.00 0.00 N ATOM 49 CA SER A 6 19.825 7.097 -8.173 1.00 0.00 C ATOM 50 C SER A 6 18.697 6.811 -7.187 1.00 0.00 C ATOM 51 O SER A 6 18.368 7.644 -6.344 1.00 0.00 O ATOM 52 CB SER A 6 19.278 7.114 -9.602 1.00 0.00 C ATOM 53 OG SER A 6 20.056 7.954 -10.437 1.00 0.00 O ATOM 0 H SER A 6 20.619 5.163 -8.333 1.00 0.00 H new ATOM 0 HA SER A 6 20.246 8.075 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.272 6.101 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.244 7.460 -9.595 1.00 0.00 H new ATOM 0 HG SER A 6 19.687 7.946 -11.345 1.00 0.00 H new ATOM 59 N GLY A 7 18.107 5.625 -7.301 1.00 0.00 N ATOM 60 CA GLY A 7 17.022 5.248 -6.414 1.00 0.00 C ATOM 61 C GLY A 7 17.092 3.793 -5.997 1.00 0.00 C ATOM 62 O GLY A 7 17.910 3.020 -6.497 1.00 0.00 O ATOM 0 H GLY A 7 18.361 4.919 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.048 5.879 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.070 5.435 -6.910 1.00 0.00 H new ATOM 66 N PRO A 8 16.219 3.399 -5.058 1.00 0.00 N ATOM 67 CA PRO A 8 16.166 2.024 -4.553 1.00 0.00 C ATOM 68 C PRO A 8 15.637 1.044 -5.594 1.00 0.00 C ATOM 69 O PRO A 8 15.541 1.371 -6.777 1.00 0.00 O ATOM 70 CB PRO A 8 15.200 2.118 -3.369 1.00 0.00 C ATOM 71 CG PRO A 8 14.340 3.296 -3.674 1.00 0.00 C ATOM 72 CD PRO A 8 15.215 4.266 -4.418 1.00 0.00 C ATOM 0 HA PRO A 8 17.154 1.650 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.606 1.209 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.737 2.252 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.479 3.005 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.952 3.743 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.648 4.835 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.678 4.988 -3.745 1.00 0.00 H new ATOM 80 N PHE A 9 15.295 -0.160 -5.147 1.00 0.00 N ATOM 81 CA PHE A 9 14.777 -1.189 -6.041 1.00 0.00 C ATOM 82 C PHE A 9 13.279 -1.005 -6.271 1.00 0.00 C ATOM 83 O PHE A 9 12.592 -1.925 -6.716 1.00 0.00 O ATOM 84 CB PHE A 9 15.049 -2.580 -5.464 1.00 0.00 C ATOM 85 CG PHE A 9 16.429 -3.093 -5.761 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.505 -2.719 -4.972 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.650 -3.948 -6.828 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.776 -3.189 -5.244 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.919 -4.422 -7.104 1.00 0.00 C ATOM 90 CZ PHE A 9 18.983 -4.042 -6.310 1.00 0.00 C ATOM 0 H PHE A 9 15.367 -0.447 -4.171 1.00 0.00 H new ATOM 0 HA PHE A 9 15.288 -1.095 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.906 -2.551 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.316 -3.280 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.349 -2.053 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.821 -4.248 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.607 -2.889 -4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.078 -5.088 -7.939 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.975 -4.411 -6.522 1.00 0.00 H new ATOM 100 N ILE A 10 12.782 0.188 -5.965 1.00 0.00 N ATOM 101 CA ILE A 10 11.367 0.493 -6.138 1.00 0.00 C ATOM 102 C ILE A 10 11.139 1.361 -7.371 1.00 0.00 C ATOM 103 O ILE A 10 11.248 2.586 -7.309 1.00 0.00 O ATOM 104 CB ILE A 10 10.791 1.212 -4.904 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.201 0.482 -3.624 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.276 1.305 -5.005 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.569 1.053 -2.374 1.00 0.00 C ATOM 0 H ILE A 10 13.338 0.960 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 10 10.852 -0.459 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 10 11.196 2.223 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.928 -0.570 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.286 0.522 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.883 1.816 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.005 1.864 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.853 0.302 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.904 0.486 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.863 2.097 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.484 0.988 -2.453 1.00 0.00 H new ATOM 119 N MET A 11 10.821 0.719 -8.490 1.00 0.00 N ATOM 120 CA MET A 11 10.574 1.433 -9.737 1.00 0.00 C ATOM 121 C MET A 11 9.674 2.642 -9.502 1.00 0.00 C ATOM 122 O MET A 11 9.928 3.728 -10.023 1.00 0.00 O ATOM 123 CB MET A 11 9.936 0.499 -10.767 1.00 0.00 C ATOM 124 CG MET A 11 10.885 -0.565 -11.294 1.00 0.00 C ATOM 125 SD MET A 11 10.021 -1.941 -12.076 1.00 0.00 S ATOM 126 CE MET A 11 9.966 -3.117 -10.726 1.00 0.00 C ATOM 0 H MET A 11 10.728 -0.294 -8.559 1.00 0.00 H new ATOM 0 HA MET A 11 11.532 1.785 -10.121 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.071 0.012 -10.317 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.568 1.092 -11.604 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.567 -0.113 -12.014 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.493 -0.943 -10.472 1.00 0.00 H new ATOM 0 HE1 MET A 11 9.311 -3.946 -10.992 1.00 0.00 H new ATOM 0 HE2 MET A 11 10.970 -3.495 -10.532 1.00 0.00 H new ATOM 0 HE3 MET A 11 9.584 -2.626 -9.831 1.00 0.00 H new ATOM 136 N ASP A 12 8.621 2.446 -8.716 1.00 0.00 N ATOM 137 CA ASP A 12 7.683 3.520 -8.412 1.00 0.00 C ATOM 138 C ASP A 12 7.210 3.435 -6.965 1.00 0.00 C ATOM 139 O ASP A 12 6.627 2.433 -6.550 1.00 0.00 O ATOM 140 CB ASP A 12 6.483 3.461 -9.359 1.00 0.00 C ATOM 141 CG ASP A 12 6.697 4.280 -10.617 1.00 0.00 C ATOM 142 OD1 ASP A 12 7.129 5.446 -10.499 1.00 0.00 O ATOM 143 OD2 ASP A 12 6.431 3.756 -11.719 1.00 0.00 O ATOM 0 H ASP A 12 8.396 1.553 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 12 8.199 4.470 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.291 2.424 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.596 3.823 -8.840 1.00 0.00 H new ATOM 148 N ALA A 13 7.465 4.492 -6.201 1.00 0.00 N ATOM 149 CA ALA A 13 7.064 4.537 -4.800 1.00 0.00 C ATOM 150 C ALA A 13 5.699 5.197 -4.641 1.00 0.00 C ATOM 151 O ALA A 13 5.352 6.141 -5.350 1.00 0.00 O ATOM 152 CB ALA A 13 8.109 5.275 -3.976 1.00 0.00 C ATOM 0 H ALA A 13 7.948 5.329 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 13 6.987 3.512 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.797 5.301 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.066 4.759 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.214 6.294 -4.349 1.00 0.00 H new ATOM 158 N PRO A 14 4.903 4.689 -3.688 1.00 0.00 N ATOM 159 CA PRO A 14 3.562 5.215 -3.413 1.00 0.00 C ATOM 160 C PRO A 14 3.601 6.601 -2.779 1.00 0.00 C ATOM 161 O PRO A 14 4.619 7.010 -2.221 1.00 0.00 O ATOM 162 CB PRO A 14 2.976 4.195 -2.433 1.00 0.00 C ATOM 163 CG PRO A 14 4.161 3.583 -1.769 1.00 0.00 C ATOM 164 CD PRO A 14 5.251 3.564 -2.804 1.00 0.00 C ATOM 0 HA PRO A 14 2.977 5.337 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.320 4.675 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.381 3.444 -2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.462 4.162 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.936 2.575 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.235 3.696 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.273 2.619 -3.347 1.00 0.00 H new ATOM 172 N ARG A 15 2.487 7.320 -2.870 1.00 0.00 N ATOM 173 CA ARG A 15 2.395 8.661 -2.306 1.00 0.00 C ATOM 174 C ARG A 15 1.056 8.864 -1.603 1.00 0.00 C ATOM 175 O ARG A 15 0.100 8.125 -1.840 1.00 0.00 O ATOM 176 CB ARG A 15 2.571 9.712 -3.404 1.00 0.00 C ATOM 177 CG ARG A 15 1.344 9.885 -4.284 1.00 0.00 C ATOM 178 CD ARG A 15 1.369 11.214 -5.021 1.00 0.00 C ATOM 179 NE ARG A 15 0.663 11.146 -6.298 1.00 0.00 N ATOM 180 CZ ARG A 15 1.190 10.631 -7.403 1.00 0.00 C ATOM 181 NH1 ARG A 15 2.422 10.141 -7.387 1.00 0.00 N ATOM 182 NH2 ARG A 15 0.485 10.605 -8.526 1.00 0.00 N ATOM 0 H ARG A 15 1.636 6.996 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 15 3.193 8.775 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.815 10.669 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.420 9.434 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.294 9.069 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.444 9.824 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.915 11.983 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.403 11.513 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.287 11.514 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.967 10.159 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.825 9.746 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.463 10.981 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.891 10.209 -9.374 1.00 0.00 H new ATOM 196 N ASP A 16 0.996 9.869 -0.736 1.00 0.00 N ATOM 197 CA ASP A 16 -0.225 10.170 0.002 1.00 0.00 C ATOM 198 C ASP A 16 -1.438 10.150 -0.923 1.00 0.00 C ATOM 199 O ASP A 16 -1.362 10.582 -2.074 1.00 0.00 O ATOM 200 CB ASP A 16 -0.111 11.534 0.684 1.00 0.00 C ATOM 201 CG ASP A 16 0.028 12.669 -0.311 1.00 0.00 C ATOM 202 OD1 ASP A 16 0.540 12.424 -1.423 1.00 0.00 O ATOM 203 OD2 ASP A 16 -0.376 13.803 0.022 1.00 0.00 O ATOM 0 H ASP A 16 1.779 10.489 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.358 9.402 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.993 11.703 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.751 11.532 1.351 1.00 0.00 H new ATOM 208 N LEU A 17 -2.556 9.643 -0.413 1.00 0.00 N ATOM 209 CA LEU A 17 -3.786 9.565 -1.194 1.00 0.00 C ATOM 210 C LEU A 17 -4.996 9.935 -0.342 1.00 0.00 C ATOM 211 O LEU A 17 -5.113 9.508 0.806 1.00 0.00 O ATOM 212 CB LEU A 17 -3.962 8.157 -1.765 1.00 0.00 C ATOM 213 CG LEU A 17 -5.303 7.870 -2.442 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.353 8.510 -3.820 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.541 6.370 -2.538 1.00 0.00 C ATOM 0 H LEU A 17 -2.636 9.280 0.537 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.712 10.277 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.167 7.978 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.825 7.439 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.096 8.305 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.314 8.295 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.229 9.589 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.551 8.106 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.500 6.184 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.744 5.912 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.550 5.938 -1.537 1.00 0.00 H new ATOM 227 N ASN A 18 -5.894 10.732 -0.913 1.00 0.00 N ATOM 228 CA ASN A 18 -7.096 11.158 -0.206 1.00 0.00 C ATOM 229 C ASN A 18 -8.347 10.592 -0.871 1.00 0.00 C ATOM 230 O ASN A 18 -8.730 11.019 -1.961 1.00 0.00 O ATOM 231 CB ASN A 18 -7.173 12.686 -0.164 1.00 0.00 C ATOM 232 CG ASN A 18 -6.633 13.327 -1.428 1.00 0.00 C ATOM 233 OD1 ASN A 18 -7.368 13.537 -2.393 1.00 0.00 O ATOM 234 ND2 ASN A 18 -5.343 13.640 -1.428 1.00 0.00 N ATOM 0 H ASN A 18 -5.812 11.095 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.044 10.776 0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.209 12.991 -0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.610 13.052 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.923 14.073 -2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.772 13.448 -0.605 1.00 0.00 H new ATOM 241 N ILE A 19 -8.980 9.631 -0.207 1.00 0.00 N ATOM 242 CA ILE A 19 -10.189 9.008 -0.733 1.00 0.00 C ATOM 243 C ILE A 19 -11.308 9.022 0.302 1.00 0.00 C ATOM 244 O ILE A 19 -11.055 9.059 1.506 1.00 0.00 O ATOM 245 CB ILE A 19 -9.928 7.556 -1.173 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.237 6.884 -1.591 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.261 6.774 -0.050 1.00 0.00 C ATOM 248 CD1 ILE A 19 -11.038 5.648 -2.441 1.00 0.00 C ATOM 0 H ILE A 19 -8.676 9.267 0.696 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.494 9.592 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.256 7.567 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.799 6.613 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.844 7.601 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.083 5.749 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.311 7.244 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.911 6.768 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.008 5.224 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.504 5.916 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.458 4.912 -1.883 1.00 0.00 H new ATOM 260 N SER A 20 -12.548 8.989 -0.176 1.00 0.00 N ATOM 261 CA SER A 20 -13.708 8.999 0.708 1.00 0.00 C ATOM 262 C SER A 20 -13.882 7.646 1.392 1.00 0.00 C ATOM 263 O SER A 20 -13.306 6.646 0.966 1.00 0.00 O ATOM 264 CB SER A 20 -14.972 9.352 -0.079 1.00 0.00 C ATOM 265 OG SER A 20 -14.853 10.624 -0.692 1.00 0.00 O ATOM 0 H SER A 20 -12.775 8.955 -1.170 1.00 0.00 H new ATOM 0 HA SER A 20 -13.543 9.755 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.154 8.594 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.833 9.346 0.589 1.00 0.00 H new ATOM 0 HG SER A 20 -15.673 10.825 -1.190 1.00 0.00 H new ATOM 271 N GLU A 21 -14.682 7.625 2.453 1.00 0.00 N ATOM 272 CA GLU A 21 -14.931 6.396 3.197 1.00 0.00 C ATOM 273 C GLU A 21 -15.889 5.484 2.435 1.00 0.00 C ATOM 274 O GLU A 21 -16.917 5.930 1.928 1.00 0.00 O ATOM 275 CB GLU A 21 -15.506 6.717 4.578 1.00 0.00 C ATOM 276 CG GLU A 21 -16.256 5.556 5.210 1.00 0.00 C ATOM 277 CD GLU A 21 -16.960 5.946 6.495 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.869 6.801 6.436 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.603 5.398 7.558 1.00 0.00 O ATOM 0 H GLU A 21 -15.169 8.444 2.817 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.981 5.876 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.694 7.017 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.179 7.570 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.989 5.173 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.557 4.745 5.415 1.00 0.00 H new ATOM 286 N GLY A 22 -15.542 4.203 2.359 1.00 0.00 N ATOM 287 CA GLY A 22 -16.379 3.248 1.657 1.00 0.00 C ATOM 288 C GLY A 22 -16.159 3.275 0.157 1.00 0.00 C ATOM 289 O GLY A 22 -17.072 2.987 -0.617 1.00 0.00 O ATOM 0 H GLY A 22 -14.696 3.810 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.175 2.245 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.426 3.461 1.871 1.00 0.00 H new ATOM 293 N ARG A 23 -14.944 3.624 -0.254 1.00 0.00 N ATOM 294 CA ARG A 23 -14.607 3.691 -1.671 1.00 0.00 C ATOM 295 C ARG A 23 -13.403 2.808 -1.985 1.00 0.00 C ATOM 296 O ARG A 23 -12.702 2.352 -1.082 1.00 0.00 O ATOM 297 CB ARG A 23 -14.314 5.135 -2.080 1.00 0.00 C ATOM 298 CG ARG A 23 -15.512 6.061 -1.943 1.00 0.00 C ATOM 299 CD ARG A 23 -15.451 7.202 -2.947 1.00 0.00 C ATOM 300 NE ARG A 23 -16.590 8.107 -2.817 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.790 9.155 -3.607 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.932 9.430 -4.580 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.851 9.932 -3.426 1.00 0.00 N ATOM 0 H ARG A 23 -14.177 3.865 0.374 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.462 3.326 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.497 5.518 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.971 5.148 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.431 5.494 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.547 6.466 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.526 7.761 -2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.425 6.795 -3.958 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.269 7.924 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.116 8.836 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.089 10.236 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.514 9.724 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.003 10.737 -4.034 1.00 0.00 H new ATOM 317 N MET A 24 -13.170 2.571 -3.272 1.00 0.00 N ATOM 318 CA MET A 24 -12.050 1.743 -3.706 1.00 0.00 C ATOM 319 C MET A 24 -10.776 2.573 -3.829 1.00 0.00 C ATOM 320 O MET A 24 -10.721 3.532 -4.598 1.00 0.00 O ATOM 321 CB MET A 24 -12.369 1.075 -5.045 1.00 0.00 C ATOM 322 CG MET A 24 -11.659 -0.253 -5.246 1.00 0.00 C ATOM 323 SD MET A 24 -12.493 -1.312 -6.444 1.00 0.00 S ATOM 324 CE MET A 24 -11.559 -2.829 -6.263 1.00 0.00 C ATOM 0 H MET A 24 -13.741 2.940 -4.032 1.00 0.00 H new ATOM 0 HA MET A 24 -11.889 0.971 -2.953 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.445 0.917 -5.115 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.093 1.751 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.638 -0.068 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.593 -0.774 -4.291 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.239 -3.680 -6.287 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.842 -2.915 -7.080 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.026 -2.817 -5.312 1.00 0.00 H new ATOM 334 N ALA A 25 -9.754 2.197 -3.067 1.00 0.00 N ATOM 335 CA ALA A 25 -8.481 2.906 -3.093 1.00 0.00 C ATOM 336 C ALA A 25 -7.347 1.983 -3.525 1.00 0.00 C ATOM 337 O ALA A 25 -7.504 0.763 -3.551 1.00 0.00 O ATOM 338 CB ALA A 25 -8.183 3.507 -1.728 1.00 0.00 C ATOM 0 H ALA A 25 -9.783 1.406 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.558 3.711 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.229 4.033 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.974 4.207 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.132 2.712 -0.984 1.00 0.00 H new ATOM 344 N GLU A 26 -6.205 2.573 -3.865 1.00 0.00 N ATOM 345 CA GLU A 26 -5.046 1.802 -4.298 1.00 0.00 C ATOM 346 C GLU A 26 -3.755 2.581 -4.063 1.00 0.00 C ATOM 347 O GLU A 26 -3.719 3.804 -4.210 1.00 0.00 O ATOM 348 CB GLU A 26 -5.172 1.437 -5.778 1.00 0.00 C ATOM 349 CG GLU A 26 -6.407 0.613 -6.099 1.00 0.00 C ATOM 350 CD GLU A 26 -6.492 0.235 -7.565 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.702 1.140 -8.400 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.348 -0.965 -7.877 1.00 0.00 O ATOM 0 H GLU A 26 -6.058 3.582 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.010 0.887 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.193 2.353 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.285 0.881 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.402 -0.294 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.298 1.177 -5.821 1.00 0.00 H new ATOM 359 N LEU A 27 -2.698 1.866 -3.695 1.00 0.00 N ATOM 360 CA LEU A 27 -1.404 2.489 -3.439 1.00 0.00 C ATOM 361 C LEU A 27 -0.415 2.169 -4.554 1.00 0.00 C ATOM 362 O LEU A 27 -0.077 1.007 -4.785 1.00 0.00 O ATOM 363 CB LEU A 27 -0.846 2.017 -2.095 1.00 0.00 C ATOM 364 CG LEU A 27 -1.329 2.781 -0.862 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.261 1.897 0.374 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.506 4.045 -0.662 1.00 0.00 C ATOM 0 H LEU A 27 -2.711 0.854 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.548 3.569 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.100 0.965 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.242 2.080 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.368 3.069 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.609 2.458 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.894 1.021 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.232 1.578 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.864 4.576 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.542 3.779 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.606 4.687 -1.537 1.00 0.00 H new ATOM 378 N LYS A 28 0.049 3.206 -5.243 1.00 0.00 N ATOM 379 CA LYS A 28 1.003 3.037 -6.333 1.00 0.00 C ATOM 380 C LYS A 28 2.311 2.440 -5.823 1.00 0.00 C ATOM 381 O LYS A 28 3.031 3.069 -5.047 1.00 0.00 O ATOM 382 CB LYS A 28 1.275 4.381 -7.013 1.00 0.00 C ATOM 383 CG LYS A 28 0.103 4.897 -7.831 1.00 0.00 C ATOM 384 CD LYS A 28 -0.956 5.535 -6.948 1.00 0.00 C ATOM 385 CE LYS A 28 -1.998 6.273 -7.773 1.00 0.00 C ATOM 386 NZ LYS A 28 -3.306 6.361 -7.065 1.00 0.00 N ATOM 0 H LYS A 28 -0.221 4.174 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 28 0.569 2.350 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.529 5.119 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.145 4.281 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.459 5.627 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.339 4.075 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.443 4.766 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.482 6.229 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.639 7.277 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.135 5.762 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.989 6.871 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.662 5.403 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.181 6.871 -6.167 1.00 0.00 H new ATOM 400 N CYS A 29 2.612 1.224 -6.265 1.00 0.00 N ATOM 401 CA CYS A 29 3.834 0.542 -5.854 1.00 0.00 C ATOM 402 C CYS A 29 4.278 -0.463 -6.912 1.00 0.00 C ATOM 403 O CYS A 29 3.494 -1.304 -7.352 1.00 0.00 O ATOM 404 CB CYS A 29 3.621 -0.168 -4.517 1.00 0.00 C ATOM 405 SG CYS A 29 5.024 -1.177 -3.985 1.00 0.00 S ATOM 0 H CYS A 29 2.027 0.690 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 29 4.618 1.291 -5.739 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.413 0.579 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.738 -0.803 -4.592 1.00 0.00 H new ATOM 0 HG CYS A 29 4.641 -2.411 -3.840 1.00 0.00 H new ATOM 411 N ARG A 30 5.540 -0.368 -7.319 1.00 0.00 N ATOM 412 CA ARG A 30 6.087 -1.266 -8.328 1.00 0.00 C ATOM 413 C ARG A 30 7.413 -1.862 -7.863 1.00 0.00 C ATOM 414 O ARG A 30 8.356 -1.136 -7.546 1.00 0.00 O ATOM 415 CB ARG A 30 6.285 -0.523 -9.650 1.00 0.00 C ATOM 416 CG ARG A 30 5.016 -0.403 -10.477 1.00 0.00 C ATOM 417 CD ARG A 30 4.210 0.826 -10.085 1.00 0.00 C ATOM 418 NE ARG A 30 2.790 0.668 -10.389 1.00 0.00 N ATOM 419 CZ ARG A 30 1.928 1.678 -10.416 1.00 0.00 C ATOM 420 NH1 ARG A 30 2.339 2.913 -10.161 1.00 0.00 N ATOM 421 NH2 ARG A 30 0.651 1.455 -10.701 1.00 0.00 N ATOM 0 H ARG A 30 6.202 0.322 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 30 5.376 -2.078 -8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.669 0.476 -9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.044 -1.040 -10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.273 -0.349 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.407 -1.297 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.334 1.016 -9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.599 1.698 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 30 2.442 -0.269 -10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.320 3.089 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.674 3.686 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.331 0.507 -10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.010 2.231 -10.721 1.00 0.00 H new ATOM 435 N THR A 31 7.479 -3.189 -7.824 1.00 0.00 N ATOM 436 CA THR A 31 8.688 -3.883 -7.397 1.00 0.00 C ATOM 437 C THR A 31 9.133 -4.902 -8.439 1.00 0.00 C ATOM 438 O THR A 31 8.327 -5.450 -9.191 1.00 0.00 O ATOM 439 CB THR A 31 8.478 -4.600 -6.050 1.00 0.00 C ATOM 440 OG1 THR A 31 7.217 -5.279 -6.048 1.00 0.00 O ATOM 441 CG2 THR A 31 8.528 -3.609 -4.897 1.00 0.00 C ATOM 0 H THR A 31 6.709 -3.805 -8.083 1.00 0.00 H new ATOM 0 HA THR A 31 9.463 -3.126 -7.279 1.00 0.00 H new ATOM 0 HB THR A 31 9.281 -5.326 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.092 -5.734 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.377 -4.138 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.499 -3.115 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.743 -2.863 -5.024 1.00 0.00 H new ATOM 449 N PRO A 32 10.448 -5.165 -8.486 1.00 0.00 N ATOM 450 CA PRO A 32 11.030 -6.123 -9.431 1.00 0.00 C ATOM 451 C PRO A 32 10.654 -7.563 -9.103 1.00 0.00 C ATOM 452 O PRO A 32 10.124 -7.864 -8.033 1.00 0.00 O ATOM 453 CB PRO A 32 12.538 -5.912 -9.265 1.00 0.00 C ATOM 454 CG PRO A 32 12.695 -5.374 -7.885 1.00 0.00 C ATOM 455 CD PRO A 32 11.467 -4.549 -7.619 1.00 0.00 C ATOM 0 HA PRO A 32 10.672 -5.962 -10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.085 -6.847 -9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.924 -5.215 -10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.787 -6.182 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.597 -4.768 -7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.177 -4.587 -6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.626 -3.500 -7.868 1.00 0.00 H new ATOM 463 N PRO A 33 10.934 -8.478 -10.043 1.00 0.00 N ATOM 464 CA PRO A 33 10.634 -9.903 -9.876 1.00 0.00 C ATOM 465 C PRO A 33 11.525 -10.564 -8.829 1.00 0.00 C ATOM 466 O PRO A 33 12.668 -10.156 -8.627 1.00 0.00 O ATOM 467 CB PRO A 33 10.913 -10.489 -11.262 1.00 0.00 C ATOM 468 CG PRO A 33 11.899 -9.557 -11.877 1.00 0.00 C ATOM 469 CD PRO A 33 11.566 -8.191 -11.342 1.00 0.00 C ATOM 0 HA PRO A 33 9.615 -10.067 -9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.315 -11.500 -11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.002 -10.550 -11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.919 -9.840 -11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.830 -9.578 -12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.458 -7.576 -11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.891 -7.653 -12.007 1.00 0.00 H new ATOM 477 N MET A 34 10.993 -11.586 -8.166 1.00 0.00 N ATOM 478 CA MET A 34 11.741 -12.304 -7.141 1.00 0.00 C ATOM 479 C MET A 34 12.007 -11.408 -5.935 1.00 0.00 C ATOM 480 O MET A 34 13.053 -11.510 -5.293 1.00 0.00 O ATOM 481 CB MET A 34 13.064 -12.818 -7.711 1.00 0.00 C ATOM 482 CG MET A 34 12.951 -13.339 -9.135 1.00 0.00 C ATOM 483 SD MET A 34 14.365 -14.347 -9.620 1.00 0.00 S ATOM 484 CE MET A 34 15.653 -13.105 -9.705 1.00 0.00 C ATOM 0 H MET A 34 10.047 -11.935 -8.320 1.00 0.00 H new ATOM 0 HA MET A 34 11.140 -13.153 -6.815 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.799 -12.013 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.441 -13.615 -7.070 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.039 -13.929 -9.231 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.859 -12.496 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 34 16.585 -13.569 -10.029 1.00 0.00 H new ATOM 0 HE2 MET A 34 15.366 -12.331 -10.417 1.00 0.00 H new ATOM 0 HE3 MET A 34 15.793 -12.658 -8.721 1.00 0.00 H new ATOM 494 N SER A 35 11.055 -10.531 -5.633 1.00 0.00 N ATOM 495 CA SER A 35 11.189 -9.615 -4.506 1.00 0.00 C ATOM 496 C SER A 35 9.999 -9.741 -3.560 1.00 0.00 C ATOM 497 O SER A 35 8.853 -9.845 -3.996 1.00 0.00 O ATOM 498 CB SER A 35 11.309 -8.174 -5.005 1.00 0.00 C ATOM 499 OG SER A 35 10.729 -7.266 -4.085 1.00 0.00 O ATOM 0 H SER A 35 10.183 -10.435 -6.153 1.00 0.00 H new ATOM 0 HA SER A 35 12.094 -9.879 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.359 -7.924 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.818 -8.079 -5.973 1.00 0.00 H new ATOM 0 HG SER A 35 10.675 -6.377 -4.493 1.00 0.00 H new ATOM 505 N SER A 36 10.281 -9.730 -2.261 1.00 0.00 N ATOM 506 CA SER A 36 9.235 -9.846 -1.251 1.00 0.00 C ATOM 507 C SER A 36 8.588 -8.491 -0.980 1.00 0.00 C ATOM 508 O SER A 36 9.226 -7.580 -0.452 1.00 0.00 O ATOM 509 CB SER A 36 9.811 -10.418 0.046 1.00 0.00 C ATOM 510 OG SER A 36 9.044 -10.012 1.167 1.00 0.00 O ATOM 0 H SER A 36 11.224 -9.642 -1.883 1.00 0.00 H new ATOM 0 HA SER A 36 8.471 -10.524 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.831 -11.506 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.842 -10.086 0.167 1.00 0.00 H new ATOM 0 HG SER A 36 9.431 -10.392 1.983 1.00 0.00 H new ATOM 516 N VAL A 37 7.317 -8.366 -1.347 1.00 0.00 N ATOM 517 CA VAL A 37 6.581 -7.124 -1.143 1.00 0.00 C ATOM 518 C VAL A 37 5.547 -7.273 -0.033 1.00 0.00 C ATOM 519 O VAL A 37 4.771 -8.229 -0.016 1.00 0.00 O ATOM 520 CB VAL A 37 5.872 -6.674 -2.434 1.00 0.00 C ATOM 521 CG1 VAL A 37 5.132 -7.840 -3.072 1.00 0.00 C ATOM 522 CG2 VAL A 37 4.920 -5.523 -2.145 1.00 0.00 C ATOM 0 H VAL A 37 6.775 -9.110 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 37 7.311 -6.367 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 37 6.626 -6.324 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.637 -7.502 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.841 -8.631 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.387 -8.223 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.428 -5.218 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.170 -5.844 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.480 -4.681 -1.737 1.00 0.00 H new ATOM 532 N LYS A 38 5.541 -6.321 0.894 1.00 0.00 N ATOM 533 CA LYS A 38 4.601 -6.343 2.008 1.00 0.00 C ATOM 534 C LYS A 38 4.059 -4.946 2.292 1.00 0.00 C ATOM 535 O LYS A 38 4.439 -3.978 1.633 1.00 0.00 O ATOM 536 CB LYS A 38 5.277 -6.904 3.261 1.00 0.00 C ATOM 537 CG LYS A 38 5.750 -8.339 3.107 1.00 0.00 C ATOM 538 CD LYS A 38 5.728 -9.079 4.434 1.00 0.00 C ATOM 539 CE LYS A 38 6.969 -8.777 5.261 1.00 0.00 C ATOM 540 NZ LYS A 38 7.038 -9.621 6.486 1.00 0.00 N ATOM 0 H LYS A 38 6.177 -5.524 0.896 1.00 0.00 H new ATOM 0 HA LYS A 38 3.766 -6.988 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.130 -6.275 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.579 -6.848 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.114 -8.858 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.762 -8.348 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.838 -8.796 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.662 -10.152 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.859 -8.944 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.969 -7.725 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.897 -9.385 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.201 -9.443 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.064 -10.625 6.215 1.00 0.00 H new ATOM 554 N TRP A 39 3.173 -4.849 3.276 1.00 0.00 N ATOM 555 CA TRP A 39 2.581 -3.568 3.647 1.00 0.00 C ATOM 556 C TRP A 39 2.252 -3.532 5.135 1.00 0.00 C ATOM 557 O TRP A 39 1.420 -4.302 5.616 1.00 0.00 O ATOM 558 CB TRP A 39 1.316 -3.311 2.826 1.00 0.00 C ATOM 559 CG TRP A 39 1.599 -2.926 1.405 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.802 -3.772 0.352 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.710 -1.598 0.883 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.034 -3.049 -0.793 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.982 -1.713 -0.495 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.605 -0.322 1.444 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.150 -0.602 -1.316 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.773 0.780 0.628 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.042 0.635 -0.740 1.00 0.00 C ATOM 0 H TRP A 39 2.848 -5.641 3.831 1.00 0.00 H new ATOM 0 HA TRP A 39 3.308 -2.784 3.435 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.697 -4.208 2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.737 -2.519 3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.783 -4.850 0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.216 -3.443 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.396 -0.200 2.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.358 -0.712 -2.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.696 1.771 1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.166 1.516 -1.351 1.00 0.00 H new ATOM 578 N LEU A 40 2.909 -2.633 5.860 1.00 0.00 N ATOM 579 CA LEU A 40 2.685 -2.497 7.295 1.00 0.00 C ATOM 580 C LEU A 40 1.604 -1.459 7.582 1.00 0.00 C ATOM 581 O LEU A 40 1.676 -0.325 7.108 1.00 0.00 O ATOM 582 CB LEU A 40 3.985 -2.102 7.999 1.00 0.00 C ATOM 583 CG LEU A 40 4.026 -2.329 9.510 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.458 -2.527 9.982 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.378 -1.163 10.242 1.00 0.00 C ATOM 0 H LEU A 40 3.601 -1.988 5.478 1.00 0.00 H new ATOM 0 HA LEU A 40 2.349 -3.461 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.804 -2.660 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.173 -1.046 7.805 1.00 0.00 H new ATOM 0 HG LEU A 40 3.462 -3.234 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.467 -2.687 11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.889 -3.395 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.046 -1.641 9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.416 -1.342 11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.914 -0.243 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.339 -1.068 9.927 1.00 0.00 H new ATOM 597 N LEU A 41 0.604 -1.855 8.361 1.00 0.00 N ATOM 598 CA LEU A 41 -0.492 -0.959 8.713 1.00 0.00 C ATOM 599 C LEU A 41 -0.148 -0.137 9.951 1.00 0.00 C ATOM 600 O LEU A 41 0.607 -0.570 10.823 1.00 0.00 O ATOM 601 CB LEU A 41 -1.773 -1.759 8.958 1.00 0.00 C ATOM 602 CG LEU A 41 -2.157 -2.760 7.868 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.203 -2.079 6.510 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.182 -3.928 7.849 1.00 0.00 C ATOM 0 H LEU A 41 0.529 -2.790 8.761 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.651 -0.276 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.666 -2.299 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.597 -1.057 9.086 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.151 -3.147 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.478 -2.807 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.942 -1.278 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.222 -1.663 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.471 -4.630 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.176 -3.559 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.200 -4.433 8.815 1.00 0.00 H new ATOM 616 N PRO A 42 -0.714 1.075 10.034 1.00 0.00 N ATOM 617 CA PRO A 42 -0.484 1.982 11.163 1.00 0.00 C ATOM 618 C PRO A 42 -1.134 1.483 12.449 1.00 0.00 C ATOM 619 O PRO A 42 -1.057 2.136 13.488 1.00 0.00 O ATOM 620 CB PRO A 42 -1.136 3.289 10.706 1.00 0.00 C ATOM 621 CG PRO A 42 -2.175 2.872 9.723 1.00 0.00 C ATOM 622 CD PRO A 42 -1.624 1.655 9.032 1.00 0.00 C ATOM 0 HA PRO A 42 0.576 2.078 11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.578 3.825 11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.406 3.957 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.117 2.645 10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.378 3.669 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.415 0.957 8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.097 1.918 8.115 1.00 0.00 H new ATOM 630 N ASN A 43 -1.773 0.320 12.371 1.00 0.00 N ATOM 631 CA ASN A 43 -2.437 -0.266 13.530 1.00 0.00 C ATOM 632 C ASN A 43 -1.519 -1.259 14.237 1.00 0.00 C ATOM 633 O ASN A 43 -1.813 -1.713 15.342 1.00 0.00 O ATOM 634 CB ASN A 43 -3.730 -0.964 13.104 1.00 0.00 C ATOM 635 CG ASN A 43 -3.582 -1.704 11.789 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.068 -1.253 10.752 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.908 -2.848 11.826 1.00 0.00 N ATOM 0 H ASN A 43 -1.845 -0.235 11.518 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.678 0.538 14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.033 -1.666 13.881 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.526 -0.225 13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.776 -3.390 10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.522 -3.184 12.708 1.00 0.00 H new ATOM 644 N GLY A 44 -0.406 -1.592 13.590 1.00 0.00 N ATOM 645 CA GLY A 44 0.538 -2.529 14.172 1.00 0.00 C ATOM 646 C GLY A 44 0.442 -3.909 13.552 1.00 0.00 C ATOM 647 O GLY A 44 0.285 -4.906 14.258 1.00 0.00 O ATOM 0 H GLY A 44 -0.141 -1.230 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.551 -2.146 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.358 -2.603 15.244 1.00 0.00 H new ATOM 651 N THR A 45 0.535 -3.969 12.228 1.00 0.00 N ATOM 652 CA THR A 45 0.455 -5.236 11.512 1.00 0.00 C ATOM 653 C THR A 45 1.069 -5.122 10.122 1.00 0.00 C ATOM 654 O THR A 45 1.429 -4.031 9.678 1.00 0.00 O ATOM 655 CB THR A 45 -1.003 -5.716 11.380 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.723 -5.432 12.585 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.057 -7.208 11.090 1.00 0.00 C ATOM 0 H THR A 45 0.666 -3.154 11.629 1.00 0.00 H new ATOM 0 HA THR A 45 1.018 -5.965 12.096 1.00 0.00 H new ATOM 0 HB THR A 45 -1.464 -5.184 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.138 -5.579 13.358 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.096 -7.524 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.533 -7.417 10.157 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.580 -7.754 11.904 1.00 0.00 H new ATOM 665 N VAL A 46 1.185 -6.255 9.436 1.00 0.00 N ATOM 666 CA VAL A 46 1.753 -6.282 8.094 1.00 0.00 C ATOM 667 C VAL A 46 1.095 -7.360 7.240 1.00 0.00 C ATOM 668 O VAL A 46 0.963 -8.509 7.664 1.00 0.00 O ATOM 669 CB VAL A 46 3.273 -6.530 8.133 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.825 -6.683 6.724 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.977 -5.401 8.871 1.00 0.00 C ATOM 0 H VAL A 46 0.893 -7.167 9.788 1.00 0.00 H new ATOM 0 HA VAL A 46 1.563 -5.305 7.650 1.00 0.00 H new ATOM 0 HB VAL A 46 3.459 -7.458 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.900 -6.857 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.341 -7.528 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.630 -5.773 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.050 -5.592 8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.785 -4.457 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.601 -5.344 9.893 1.00 0.00 H new ATOM 681 N LEU A 47 0.685 -6.983 6.034 1.00 0.00 N ATOM 682 CA LEU A 47 0.040 -7.918 5.118 1.00 0.00 C ATOM 683 C LEU A 47 0.906 -8.156 3.885 1.00 0.00 C ATOM 684 O LEU A 47 1.722 -7.312 3.515 1.00 0.00 O ATOM 685 CB LEU A 47 -1.331 -7.388 4.698 1.00 0.00 C ATOM 686 CG LEU A 47 -2.429 -7.448 5.761 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.721 -6.849 5.229 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.651 -8.882 6.218 1.00 0.00 C ATOM 0 H LEU A 47 0.788 -6.037 5.667 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.089 -8.867 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.216 -6.351 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.665 -7.952 3.827 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.108 -6.860 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.490 -6.901 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.553 -5.808 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.047 -7.408 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.436 -8.906 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.950 -9.493 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.727 -9.276 6.641 1.00 0.00 H new ATOM 700 N SER A 48 0.720 -9.310 3.252 1.00 0.00 N ATOM 701 CA SER A 48 1.485 -9.660 2.061 1.00 0.00 C ATOM 702 C SER A 48 0.645 -10.498 1.102 1.00 0.00 C ATOM 703 O SER A 48 -0.528 -10.771 1.362 1.00 0.00 O ATOM 704 CB SER A 48 2.752 -10.425 2.448 1.00 0.00 C ATOM 705 OG SER A 48 3.421 -10.918 1.301 1.00 0.00 O ATOM 0 H SER A 48 0.046 -10.018 3.544 1.00 0.00 H new ATOM 0 HA SER A 48 1.767 -8.736 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.419 -9.770 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.493 -11.254 3.106 1.00 0.00 H new ATOM 0 HG SER A 48 3.860 -10.176 0.834 1.00 0.00 H new ATOM 711 N HIS A 49 1.253 -10.904 -0.008 1.00 0.00 N ATOM 712 CA HIS A 49 0.561 -11.712 -1.007 1.00 0.00 C ATOM 713 C HIS A 49 -0.012 -12.979 -0.378 1.00 0.00 C ATOM 714 O HIS A 49 -0.968 -13.559 -0.891 1.00 0.00 O ATOM 715 CB HIS A 49 1.514 -12.079 -2.145 1.00 0.00 C ATOM 716 CG HIS A 49 0.821 -12.328 -3.449 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.560 -13.481 -4.107 1.00 0.00 N flip ATOM 718 CD2 HIS A 49 0.308 -11.316 -4.233 1.00 0.00 C flip ATOM 719 CE1 HIS A 49 -0.101 -13.149 -5.264 1.00 0.00 C flip ATOM 720 NE2 HIS A 49 -0.241 -11.837 -5.316 1.00 0.00 N flip ATOM 0 H HIS A 49 2.223 -10.687 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.263 -11.123 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.238 -11.275 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.075 -12.971 -1.865 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.808 -14.422 -3.801 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.349 -10.263 -3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.450 -13.848 -6.010 1.00 0.00 H new ATOM 729 N ALA A 50 0.580 -13.402 0.734 1.00 0.00 N ATOM 730 CA ALA A 50 0.128 -14.599 1.432 1.00 0.00 C ATOM 731 C ALA A 50 -1.169 -14.335 2.190 1.00 0.00 C ATOM 732 O ALA A 50 -2.104 -15.134 2.136 1.00 0.00 O ATOM 733 CB ALA A 50 1.207 -15.094 2.385 1.00 0.00 C ATOM 0 H ALA A 50 1.374 -12.933 1.171 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.067 -15.372 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.856 -15.988 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.110 -15.330 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.429 -14.318 3.117 1.00 0.00 H new ATOM 739 N SER A 51 -1.218 -13.210 2.896 1.00 0.00 N ATOM 740 CA SER A 51 -2.399 -12.844 3.669 1.00 0.00 C ATOM 741 C SER A 51 -3.668 -13.024 2.841 1.00 0.00 C ATOM 742 O SER A 51 -3.609 -13.173 1.620 1.00 0.00 O ATOM 743 CB SER A 51 -2.292 -11.395 4.148 1.00 0.00 C ATOM 744 OG SER A 51 -2.555 -10.487 3.092 1.00 0.00 O ATOM 0 H SER A 51 -0.454 -12.536 2.949 1.00 0.00 H new ATOM 0 HA SER A 51 -2.454 -13.503 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.997 -11.225 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.294 -11.214 4.547 1.00 0.00 H new ATOM 0 HG SER A 51 -1.745 -10.367 2.554 1.00 0.00 H new ATOM 750 N ARG A 52 -4.813 -13.011 3.514 1.00 0.00 N ATOM 751 CA ARG A 52 -6.097 -13.175 2.842 1.00 0.00 C ATOM 752 C ARG A 52 -7.030 -12.011 3.161 1.00 0.00 C ATOM 753 O ARG A 52 -8.191 -12.001 2.751 1.00 0.00 O ATOM 754 CB ARG A 52 -6.749 -14.494 3.258 1.00 0.00 C ATOM 755 CG ARG A 52 -7.233 -14.507 4.699 1.00 0.00 C ATOM 756 CD ARG A 52 -8.531 -13.730 4.857 1.00 0.00 C ATOM 757 NE ARG A 52 -9.335 -14.229 5.969 1.00 0.00 N ATOM 758 CZ ARG A 52 -9.868 -15.445 6.003 1.00 0.00 C ATOM 759 NH1 ARG A 52 -9.683 -16.282 4.991 1.00 0.00 N ATOM 760 NH2 ARG A 52 -10.588 -15.827 7.050 1.00 0.00 N ATOM 0 H ARG A 52 -4.879 -12.889 4.525 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.917 -13.190 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.593 -14.696 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.033 -15.304 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.382 -15.536 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.468 -14.076 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.305 -12.676 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.108 -13.796 3.934 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.496 -13.610 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.130 -15.992 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.093 -17.215 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.733 -15.186 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.997 -16.761 7.074 1.00 0.00 H new ATOM 774 N HIS A 53 -6.514 -11.030 3.896 1.00 0.00 N ATOM 775 CA HIS A 53 -7.302 -9.860 4.270 1.00 0.00 C ATOM 776 C HIS A 53 -8.253 -9.463 3.145 1.00 0.00 C ATOM 777 O HIS A 53 -7.902 -9.487 1.965 1.00 0.00 O ATOM 778 CB HIS A 53 -6.381 -8.688 4.613 1.00 0.00 C ATOM 779 CG HIS A 53 -7.077 -7.569 5.325 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.014 -6.759 4.719 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.968 -7.127 6.599 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.451 -5.867 5.590 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.832 -6.069 6.739 1.00 0.00 N ATOM 0 H HIS A 53 -5.555 -11.022 4.244 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.894 -10.117 5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.562 -9.050 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.938 -8.304 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.321 -7.531 7.364 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.189 -5.103 5.396 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.973 -5.527 7.592 1.00 0.00 H new ATOM 792 N PRO A 54 -9.486 -9.089 3.517 1.00 0.00 N ATOM 793 CA PRO A 54 -10.513 -8.679 2.554 1.00 0.00 C ATOM 794 C PRO A 54 -10.195 -7.337 1.903 1.00 0.00 C ATOM 795 O PRO A 54 -9.525 -7.280 0.872 1.00 0.00 O ATOM 796 CB PRO A 54 -11.778 -8.573 3.409 1.00 0.00 C ATOM 797 CG PRO A 54 -11.282 -8.306 4.788 1.00 0.00 C ATOM 798 CD PRO A 54 -9.973 -9.035 4.905 1.00 0.00 C ATOM 0 HA PRO A 54 -10.600 -9.382 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.426 -7.770 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.361 -9.493 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.150 -7.237 4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.994 -8.660 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.276 -8.506 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.105 -10.033 5.323 1.00 0.00 H new ATOM 806 N ARG A 55 -10.681 -6.260 2.512 1.00 0.00 N ATOM 807 CA ARG A 55 -10.449 -4.918 1.990 1.00 0.00 C ATOM 808 C ARG A 55 -9.020 -4.775 1.473 1.00 0.00 C ATOM 809 O ARG A 55 -8.801 -4.544 0.284 1.00 0.00 O ATOM 810 CB ARG A 55 -10.717 -3.874 3.075 1.00 0.00 C ATOM 811 CG ARG A 55 -12.167 -3.824 3.528 1.00 0.00 C ATOM 812 CD ARG A 55 -12.329 -2.993 4.791 1.00 0.00 C ATOM 813 NE ARG A 55 -11.135 -3.036 5.630 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.084 -2.241 5.456 1.00 0.00 C ATOM 815 NH1 ARG A 55 -10.081 -1.347 4.478 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.035 -2.341 6.262 1.00 0.00 N ATOM 0 H ARG A 55 -11.237 -6.290 3.366 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.135 -4.754 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.083 -4.087 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.428 -2.892 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.783 -3.403 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.528 -4.837 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.545 -1.960 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.185 -3.359 5.359 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.106 -3.714 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.886 -1.268 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.273 -0.738 4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.035 -3.028 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.229 -1.731 6.128 1.00 0.00 H new ATOM 830 N ILE A 56 -8.054 -4.914 2.375 1.00 0.00 N ATOM 831 CA ILE A 56 -6.648 -4.800 2.009 1.00 0.00 C ATOM 832 C ILE A 56 -6.179 -6.031 1.240 1.00 0.00 C ATOM 833 O ILE A 56 -6.227 -7.150 1.749 1.00 0.00 O ATOM 834 CB ILE A 56 -5.756 -4.616 3.252 1.00 0.00 C ATOM 835 CG1 ILE A 56 -6.173 -3.362 4.023 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.292 -4.532 2.846 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.682 -3.341 5.454 1.00 0.00 C ATOM 0 H ILE A 56 -8.219 -5.105 3.363 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.558 -3.920 1.373 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.883 -5.480 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.792 -2.483 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.260 -3.288 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.675 -4.402 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.003 -5.450 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.148 -3.683 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.015 -2.424 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.084 -4.201 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.593 -3.383 5.466 1.00 0.00 H new ATOM 849 N SER A 57 -5.723 -5.814 0.010 1.00 0.00 N ATOM 850 CA SER A 57 -5.247 -6.906 -0.832 1.00 0.00 C ATOM 851 C SER A 57 -3.983 -6.500 -1.584 1.00 0.00 C ATOM 852 O SER A 57 -3.978 -5.519 -2.328 1.00 0.00 O ATOM 853 CB SER A 57 -6.333 -7.324 -1.825 1.00 0.00 C ATOM 854 OG SER A 57 -7.376 -8.027 -1.173 1.00 0.00 O ATOM 0 H SER A 57 -5.673 -4.893 -0.425 1.00 0.00 H new ATOM 0 HA SER A 57 -5.010 -7.752 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.738 -6.441 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.897 -7.952 -2.602 1.00 0.00 H new ATOM 0 HG SER A 57 -7.845 -7.422 -0.561 1.00 0.00 H new ATOM 860 N VAL A 58 -2.912 -7.262 -1.384 1.00 0.00 N ATOM 861 CA VAL A 58 -1.642 -6.983 -2.044 1.00 0.00 C ATOM 862 C VAL A 58 -1.562 -7.679 -3.398 1.00 0.00 C ATOM 863 O VAL A 58 -1.324 -8.885 -3.476 1.00 0.00 O ATOM 864 CB VAL A 58 -0.450 -7.431 -1.177 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.865 -7.109 -1.870 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.513 -6.777 0.195 1.00 0.00 C ATOM 0 H VAL A 58 -2.899 -8.077 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.591 -5.904 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.507 -8.511 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.696 -7.433 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.909 -7.629 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.934 -6.034 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.337 -7.105 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.481 -5.693 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.440 -7.064 0.692 1.00 0.00 H new ATOM 876 N LEU A 59 -1.761 -6.912 -4.464 1.00 0.00 N ATOM 877 CA LEU A 59 -1.710 -7.454 -5.817 1.00 0.00 C ATOM 878 C LEU A 59 -0.313 -7.968 -6.146 1.00 0.00 C ATOM 879 O LEU A 59 0.679 -7.504 -5.584 1.00 0.00 O ATOM 880 CB LEU A 59 -2.124 -6.386 -6.831 1.00 0.00 C ATOM 881 CG LEU A 59 -3.497 -5.748 -6.611 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.986 -5.081 -7.887 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.499 -6.790 -6.135 1.00 0.00 C ATOM 0 H LEU A 59 -1.959 -5.913 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.407 -8.290 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.373 -5.596 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.108 -6.832 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.402 -4.984 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.964 -4.633 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.280 -4.306 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.065 -5.825 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.470 -6.319 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.590 -7.576 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.155 -7.223 -5.195 1.00 0.00 H new ATOM 895 N ASN A 60 -0.241 -8.929 -7.062 1.00 0.00 N ATOM 896 CA ASN A 60 1.035 -9.506 -7.467 1.00 0.00 C ATOM 897 C ASN A 60 2.066 -8.413 -7.733 1.00 0.00 C ATOM 898 O ASN A 60 3.139 -8.397 -7.129 1.00 0.00 O ATOM 899 CB ASN A 60 0.855 -10.368 -8.718 1.00 0.00 C ATOM 900 CG ASN A 60 -0.115 -11.512 -8.497 1.00 0.00 C ATOM 901 OD1 ASN A 60 -1.298 -11.296 -8.232 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.383 -12.739 -8.604 1.00 0.00 N ATOM 0 H ASN A 60 -1.052 -9.324 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 60 1.397 -10.132 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.497 -9.744 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.822 -10.769 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.222 -13.549 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.370 -12.871 -8.825 1.00 0.00 H new ATOM 909 N ASP A 61 1.733 -7.501 -8.640 1.00 0.00 N ATOM 910 CA ASP A 61 2.628 -6.403 -8.985 1.00 0.00 C ATOM 911 C ASP A 61 3.190 -5.745 -7.729 1.00 0.00 C ATOM 912 O ASP A 61 4.357 -5.359 -7.687 1.00 0.00 O ATOM 913 CB ASP A 61 1.893 -5.365 -9.835 1.00 0.00 C ATOM 914 CG ASP A 61 1.943 -5.688 -11.315 1.00 0.00 C ATOM 915 OD1 ASP A 61 1.070 -6.446 -11.787 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.855 -5.182 -12.001 1.00 0.00 O ATOM 0 H ASP A 61 0.849 -7.501 -9.150 1.00 0.00 H new ATOM 0 HA ASP A 61 3.458 -6.811 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.853 -5.307 -9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.334 -4.383 -9.665 1.00 0.00 H new ATOM 921 N GLY A 62 2.349 -5.618 -6.706 1.00 0.00 N ATOM 922 CA GLY A 62 2.780 -5.005 -5.463 1.00 0.00 C ATOM 923 C GLY A 62 1.928 -3.811 -5.080 1.00 0.00 C ATOM 924 O GLY A 62 2.350 -2.964 -4.292 1.00 0.00 O ATOM 0 H GLY A 62 1.378 -5.929 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.743 -5.746 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.819 -4.691 -5.558 1.00 0.00 H new ATOM 928 N THR A 63 0.724 -3.741 -5.640 1.00 0.00 N ATOM 929 CA THR A 63 -0.189 -2.641 -5.355 1.00 0.00 C ATOM 930 C THR A 63 -1.181 -3.019 -4.262 1.00 0.00 C ATOM 931 O THR A 63 -1.767 -4.103 -4.289 1.00 0.00 O ATOM 932 CB THR A 63 -0.967 -2.216 -6.615 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.058 -1.749 -7.618 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.973 -1.123 -6.287 1.00 0.00 C ATOM 0 H THR A 63 0.359 -4.434 -6.294 1.00 0.00 H new ATOM 0 HA THR A 63 0.421 -1.804 -5.014 1.00 0.00 H new ATOM 0 HB THR A 63 -1.508 -3.085 -6.991 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.560 -1.482 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.510 -0.839 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.681 -1.491 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.449 -0.254 -5.889 1.00 0.00 H new ATOM 942 N LEU A 64 -1.367 -2.121 -3.302 1.00 0.00 N ATOM 943 CA LEU A 64 -2.291 -2.360 -2.198 1.00 0.00 C ATOM 944 C LEU A 64 -3.664 -1.768 -2.499 1.00 0.00 C ATOM 945 O LEU A 64 -3.840 -0.550 -2.495 1.00 0.00 O ATOM 946 CB LEU A 64 -1.737 -1.761 -0.904 1.00 0.00 C ATOM 947 CG LEU A 64 -2.251 -2.381 0.396 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.973 -3.876 0.421 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.616 -1.699 1.599 1.00 0.00 C ATOM 0 H LEU A 64 -0.890 -1.220 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.400 -3.438 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.651 -1.851 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.969 -0.696 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.330 -2.232 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.346 -4.300 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.475 -4.353 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.899 -4.048 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.993 -2.153 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.533 -1.817 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.866 -0.638 1.590 1.00 0.00 H new ATOM 961 N ASN A 65 -4.634 -2.638 -2.759 1.00 0.00 N ATOM 962 CA ASN A 65 -5.993 -2.201 -3.060 1.00 0.00 C ATOM 963 C ASN A 65 -6.875 -2.271 -1.818 1.00 0.00 C ATOM 964 O ASN A 65 -6.673 -3.117 -0.946 1.00 0.00 O ATOM 965 CB ASN A 65 -6.592 -3.062 -4.174 1.00 0.00 C ATOM 966 CG ASN A 65 -8.020 -2.670 -4.503 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.907 -2.746 -3.653 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.247 -2.248 -5.741 1.00 0.00 N ATOM 0 H ASN A 65 -4.505 -3.650 -2.767 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.949 -1.164 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.978 -2.971 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.566 -4.110 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.188 -1.970 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.481 -2.201 -6.412 1.00 0.00 H new ATOM 975 N PHE A 66 -7.855 -1.377 -1.743 1.00 0.00 N ATOM 976 CA PHE A 66 -8.768 -1.336 -0.607 1.00 0.00 C ATOM 977 C PHE A 66 -10.220 -1.326 -1.077 1.00 0.00 C ATOM 978 O PHE A 66 -10.760 -0.280 -1.437 1.00 0.00 O ATOM 979 CB PHE A 66 -8.491 -0.102 0.254 1.00 0.00 C ATOM 980 CG PHE A 66 -7.126 -0.104 0.882 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.989 0.023 0.100 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.980 -0.234 2.253 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.732 0.022 0.674 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.726 -0.235 2.833 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.600 -0.108 2.043 1.00 0.00 C ATOM 0 H PHE A 66 -8.037 -0.671 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.603 -2.232 -0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.598 0.792 -0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.244 -0.041 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.086 0.124 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.856 -0.336 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.854 0.123 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.626 -0.335 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.619 -0.110 2.494 1.00 0.00 H new ATOM 995 N SER A 67 -10.846 -2.499 -1.072 1.00 0.00 N ATOM 996 CA SER A 67 -12.233 -2.627 -1.502 1.00 0.00 C ATOM 997 C SER A 67 -13.077 -1.476 -0.963 1.00 0.00 C ATOM 998 O SER A 67 -13.940 -0.943 -1.661 1.00 0.00 O ATOM 999 CB SER A 67 -12.813 -3.963 -1.034 1.00 0.00 C ATOM 1000 OG SER A 67 -14.111 -4.169 -1.563 1.00 0.00 O ATOM 0 H SER A 67 -10.414 -3.374 -0.775 1.00 0.00 H new ATOM 0 HA SER A 67 -12.255 -2.592 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.157 -4.776 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.853 -3.984 0.055 1.00 0.00 H new ATOM 0 HG SER A 67 -14.459 -5.030 -1.250 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.822 -1.098 0.286 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.557 -0.010 0.920 1.00 0.00 C ATOM 1008 C HIS A 68 -12.849 0.458 2.188 1.00 0.00 C ATOM 1009 O HIS A 68 -12.873 -0.224 3.213 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.982 -0.454 1.253 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.056 -1.424 2.392 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.245 -1.221 3.716 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.929 -2.787 2.229 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.229 -2.452 4.324 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -15.038 -3.381 3.404 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.112 -1.529 0.878 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.598 0.824 0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.580 0.424 1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.428 -0.910 0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.766 -3.291 1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.352 -2.632 5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.984 -4.386 3.572 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.218 1.626 2.111 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.503 2.185 3.253 1.00 0.00 C ATOM 1026 C VAL A 69 -12.473 2.720 4.300 1.00 0.00 C ATOM 1027 O VAL A 69 -13.680 2.795 4.064 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.554 3.318 2.820 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.565 2.818 1.778 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.347 4.503 2.289 1.00 0.00 C ATOM 0 H VAL A 69 -12.187 2.203 1.270 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.916 1.376 3.687 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.990 3.649 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.903 3.633 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.974 2.004 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.108 2.459 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.661 5.294 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.939 4.189 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.010 4.876 3.069 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.938 3.093 5.457 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.756 3.624 6.542 1.00 0.00 C ATOM 1042 C LEU A 70 -12.002 4.700 7.317 1.00 0.00 C ATOM 1043 O LEU A 70 -10.778 4.803 7.226 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.175 2.497 7.489 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.366 1.121 6.851 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.067 0.020 7.857 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.780 0.978 6.306 1.00 0.00 C ATOM 0 H LEU A 70 -10.942 3.038 5.668 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.647 4.075 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.423 2.410 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.109 2.784 7.972 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.666 1.026 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.208 -0.952 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.036 0.111 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.742 0.112 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.898 -0.007 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.497 1.094 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.959 1.745 5.553 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.739 5.499 8.080 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.140 6.566 8.873 1.00 0.00 C ATOM 1061 C LEU A 71 -11.154 6.001 9.890 1.00 0.00 C ATOM 1062 O LEU A 71 -10.323 6.728 10.434 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.228 7.367 9.591 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.211 8.119 8.694 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.368 8.670 9.513 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.502 9.240 7.948 1.00 0.00 C ATOM 0 H LEU A 71 -13.753 5.428 8.166 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.597 7.227 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.795 6.685 10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.745 8.088 10.251 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.613 7.419 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.057 9.202 8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.892 7.848 10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.985 9.355 10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.217 9.765 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.072 9.939 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.709 8.820 7.329 1.00 0.00 H new ATOM 1078 N SER A 72 -11.251 4.700 10.141 1.00 0.00 N ATOM 1079 CA SER A 72 -10.368 4.037 11.094 1.00 0.00 C ATOM 1080 C SER A 72 -9.124 3.495 10.396 1.00 0.00 C ATOM 1081 O SER A 72 -8.218 2.966 11.040 1.00 0.00 O ATOM 1082 CB SER A 72 -11.107 2.898 11.800 1.00 0.00 C ATOM 1083 OG SER A 72 -11.798 3.370 12.943 1.00 0.00 O ATOM 0 H SER A 72 -11.932 4.084 9.698 1.00 0.00 H new ATOM 0 HA SER A 72 -10.056 4.773 11.835 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.813 2.435 11.110 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.396 2.126 12.094 1.00 0.00 H new ATOM 0 HG SER A 72 -12.263 2.624 13.375 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.088 3.631 9.075 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.956 3.157 8.288 1.00 0.00 C ATOM 1091 C ASP A 73 -6.983 4.295 7.995 1.00 0.00 C ATOM 1092 O ASP A 73 -5.887 4.073 7.480 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.443 2.536 6.978 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.100 1.185 7.187 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.689 0.463 8.119 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.026 0.852 6.419 1.00 0.00 O ATOM 0 H ASP A 73 -9.830 4.066 8.527 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.434 2.397 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.152 3.212 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.600 2.425 6.296 1.00 0.00 H new ATOM 1101 N THR A 74 -7.392 5.516 8.326 1.00 0.00 N ATOM 1102 CA THR A 74 -6.558 6.689 8.096 1.00 0.00 C ATOM 1103 C THR A 74 -5.244 6.588 8.862 1.00 0.00 C ATOM 1104 O THR A 74 -5.232 6.313 10.061 1.00 0.00 O ATOM 1105 CB THR A 74 -7.283 7.983 8.512 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.503 8.120 7.774 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.400 9.199 8.272 1.00 0.00 C ATOM 0 H THR A 74 -8.296 5.718 8.754 1.00 0.00 H new ATOM 0 HA THR A 74 -6.350 6.725 7.027 1.00 0.00 H new ATOM 0 HB THR A 74 -7.508 7.921 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.959 8.944 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.933 10.101 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.485 9.106 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.148 9.263 7.213 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.137 6.814 8.161 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.832 6.743 8.792 1.00 0.00 C ATOM 1117 C GLY A 75 -1.700 6.731 7.784 1.00 0.00 C ATOM 1118 O GLY A 75 -1.728 7.469 6.799 1.00 0.00 O ATOM 0 H GLY A 75 -4.121 7.045 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.709 7.594 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.777 5.844 9.406 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.699 5.892 8.030 1.00 0.00 N ATOM 1123 CA VAL A 76 0.448 5.787 7.136 1.00 0.00 C ATOM 1124 C VAL A 76 0.784 4.329 6.843 1.00 0.00 C ATOM 1125 O VAL A 76 0.951 3.523 7.758 1.00 0.00 O ATOM 1126 CB VAL A 76 1.688 6.478 7.732 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.927 6.155 6.910 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.471 7.981 7.815 1.00 0.00 C ATOM 0 H VAL A 76 -0.659 5.275 8.841 1.00 0.00 H new ATOM 0 HA VAL A 76 0.173 6.287 6.207 1.00 0.00 H new ATOM 0 HB VAL A 76 1.843 6.099 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.793 6.652 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.091 5.077 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.786 6.504 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.357 8.454 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.290 8.378 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.610 8.190 8.450 1.00 0.00 H new ATOM 1138 N TYR A 77 0.882 3.997 5.560 1.00 0.00 N ATOM 1139 CA TYR A 77 1.197 2.635 5.145 1.00 0.00 C ATOM 1140 C TYR A 77 2.631 2.539 4.634 1.00 0.00 C ATOM 1141 O TYR A 77 3.056 3.324 3.787 1.00 0.00 O ATOM 1142 CB TYR A 77 0.225 2.174 4.058 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.207 2.067 4.531 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.914 3.194 4.930 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.853 0.837 4.579 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.222 3.100 5.364 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.161 0.734 5.011 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.841 1.869 5.403 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.145 1.771 5.833 1.00 0.00 O ATOM 0 H TYR A 77 0.748 4.652 4.790 1.00 0.00 H new ATOM 0 HA TYR A 77 1.096 1.985 6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.271 2.871 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.548 1.203 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.433 4.160 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.323 -0.053 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.757 3.986 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.649 -0.229 5.042 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.373 2.559 6.369 1.00 0.00 H new ATOM 1159 N THR A 78 3.375 1.568 5.157 1.00 0.00 N ATOM 1160 CA THR A 78 4.761 1.368 4.756 1.00 0.00 C ATOM 1161 C THR A 78 4.900 0.154 3.844 1.00 0.00 C ATOM 1162 O THR A 78 4.411 -0.931 4.161 1.00 0.00 O ATOM 1163 CB THR A 78 5.679 1.184 5.980 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.276 2.068 7.032 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.131 1.451 5.613 1.00 0.00 C ATOM 0 H THR A 78 3.040 0.908 5.859 1.00 0.00 H new ATOM 0 HA THR A 78 5.065 2.263 4.214 1.00 0.00 H new ATOM 0 HB THR A 78 5.592 0.152 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.863 1.944 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.760 1.315 6.493 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.443 0.756 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.232 2.474 5.249 1.00 0.00 H new ATOM 1173 N CYS A 79 5.569 0.344 2.713 1.00 0.00 N ATOM 1174 CA CYS A 79 5.772 -0.736 1.754 1.00 0.00 C ATOM 1175 C CYS A 79 7.190 -1.290 1.851 1.00 0.00 C ATOM 1176 O CYS A 79 8.154 -0.626 1.468 1.00 0.00 O ATOM 1177 CB CYS A 79 5.501 -0.242 0.332 1.00 0.00 C ATOM 1178 SG CYS A 79 6.059 -1.374 -0.962 1.00 0.00 S ATOM 0 H CYS A 79 5.980 1.236 2.437 1.00 0.00 H new ATOM 0 HA CYS A 79 5.071 -1.536 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.430 -0.073 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.992 0.721 0.194 1.00 0.00 H new ATOM 0 HG CYS A 79 5.433 -1.109 -2.070 1.00 0.00 H new ATOM 1184 N MET A 80 7.310 -2.509 2.366 1.00 0.00 N ATOM 1185 CA MET A 80 8.611 -3.151 2.514 1.00 0.00 C ATOM 1186 C MET A 80 9.008 -3.875 1.231 1.00 0.00 C ATOM 1187 O MET A 80 8.169 -4.478 0.561 1.00 0.00 O ATOM 1188 CB MET A 80 8.587 -4.137 3.683 1.00 0.00 C ATOM 1189 CG MET A 80 8.015 -3.548 4.963 1.00 0.00 C ATOM 1190 SD MET A 80 8.218 -4.642 6.382 1.00 0.00 S ATOM 1191 CE MET A 80 6.756 -4.236 7.334 1.00 0.00 C ATOM 0 H MET A 80 6.523 -3.072 2.688 1.00 0.00 H new ATOM 0 HA MET A 80 9.350 -2.376 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.999 -5.010 3.400 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.602 -4.485 3.875 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.504 -2.596 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.955 -3.338 4.820 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.800 -4.738 8.300 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.709 -3.158 7.487 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.868 -4.564 6.794 1.00 0.00 H new ATOM 1201 N VAL A 81 10.293 -3.812 0.895 1.00 0.00 N ATOM 1202 CA VAL A 81 10.801 -4.463 -0.307 1.00 0.00 C ATOM 1203 C VAL A 81 12.119 -5.177 -0.030 1.00 0.00 C ATOM 1204 O VAL A 81 13.127 -4.544 0.288 1.00 0.00 O ATOM 1205 CB VAL A 81 11.009 -3.449 -1.448 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.282 -4.170 -2.759 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.800 -2.535 -1.575 1.00 0.00 C ATOM 0 H VAL A 81 11.001 -3.317 1.438 1.00 0.00 H new ATOM 0 HA VAL A 81 10.052 -5.194 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 81 11.877 -2.834 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.426 -3.438 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.180 -4.779 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.435 -4.810 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.964 -1.825 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.914 -3.132 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.655 -1.992 -0.641 1.00 0.00 H new ATOM 1217 N THR A 82 12.106 -6.501 -0.152 1.00 0.00 N ATOM 1218 CA THR A 82 13.299 -7.302 0.086 1.00 0.00 C ATOM 1219 C THR A 82 13.678 -8.106 -1.153 1.00 0.00 C ATOM 1220 O THR A 82 12.878 -8.887 -1.666 1.00 0.00 O ATOM 1221 CB THR A 82 13.101 -8.268 1.269 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.646 -7.547 2.419 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.396 -8.994 1.598 1.00 0.00 C ATOM 0 H THR A 82 11.281 -7.041 -0.414 1.00 0.00 H new ATOM 0 HA THR A 82 14.103 -6.606 0.325 1.00 0.00 H new ATOM 0 HB THR A 82 12.352 -9.007 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.521 -8.168 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.231 -9.670 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.723 -9.566 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.163 -8.267 1.864 1.00 0.00 H new ATOM 1231 N ASN A 83 14.904 -7.908 -1.629 1.00 0.00 N ATOM 1232 CA ASN A 83 15.388 -8.615 -2.809 1.00 0.00 C ATOM 1233 C ASN A 83 16.775 -9.201 -2.561 1.00 0.00 C ATOM 1234 O ASN A 83 17.503 -8.749 -1.676 1.00 0.00 O ATOM 1235 CB ASN A 83 15.428 -7.673 -4.013 1.00 0.00 C ATOM 1236 CG ASN A 83 15.596 -8.417 -5.324 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.629 -8.308 -5.985 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.577 -9.177 -5.707 1.00 0.00 N ATOM 0 H ASN A 83 15.579 -7.265 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 83 14.699 -9.433 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.508 -7.089 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.249 -6.967 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.631 -9.700 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.740 -9.238 -5.127 1.00 0.00 H new ATOM 1245 N VAL A 84 17.136 -10.209 -3.348 1.00 0.00 N ATOM 1246 CA VAL A 84 18.436 -10.855 -3.216 1.00 0.00 C ATOM 1247 C VAL A 84 19.562 -9.915 -3.631 1.00 0.00 C ATOM 1248 O VAL A 84 20.736 -10.187 -3.380 1.00 0.00 O ATOM 1249 CB VAL A 84 18.514 -12.138 -4.064 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.660 -11.795 -5.539 1.00 0.00 C ATOM 1251 CG2 VAL A 84 19.664 -13.017 -3.596 1.00 0.00 C ATOM 0 H VAL A 84 16.546 -10.596 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 84 18.554 -11.116 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 84 17.586 -12.695 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.714 -12.714 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.800 -11.209 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.571 -11.216 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.704 -13.919 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.602 -12.471 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.511 -13.292 -2.552 1.00 0.00 H new ATOM 1261 N ALA A 85 19.196 -8.808 -4.268 1.00 0.00 N ATOM 1262 CA ALA A 85 20.175 -7.825 -4.716 1.00 0.00 C ATOM 1263 C ALA A 85 20.273 -6.661 -3.736 1.00 0.00 C ATOM 1264 O ALA A 85 21.366 -6.260 -3.339 1.00 0.00 O ATOM 1265 CB ALA A 85 19.818 -7.320 -6.106 1.00 0.00 C ATOM 0 H ALA A 85 18.229 -8.569 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 85 21.149 -8.312 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.557 -6.587 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.808 -8.156 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.832 -6.855 -6.082 1.00 0.00 H new ATOM 1271 N GLY A 86 19.121 -6.120 -3.350 1.00 0.00 N ATOM 1272 CA GLY A 86 19.099 -5.006 -2.421 1.00 0.00 C ATOM 1273 C GLY A 86 17.772 -4.879 -1.699 1.00 0.00 C ATOM 1274 O GLY A 86 16.836 -5.629 -1.971 1.00 0.00 O ATOM 0 H GLY A 86 18.203 -6.434 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.897 -5.132 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.305 -4.082 -2.961 1.00 0.00 H new ATOM 1278 N ASN A 87 17.692 -3.929 -0.773 1.00 0.00 N ATOM 1279 CA ASN A 87 16.471 -3.709 -0.007 1.00 0.00 C ATOM 1280 C ASN A 87 16.012 -2.258 -0.121 1.00 0.00 C ATOM 1281 O ASN A 87 16.805 -1.367 -0.425 1.00 0.00 O ATOM 1282 CB ASN A 87 16.693 -4.071 1.463 1.00 0.00 C ATOM 1283 CG ASN A 87 17.692 -3.153 2.140 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.674 -1.939 1.936 1.00 0.00 O ATOM 1285 ND2 ASN A 87 18.571 -3.731 2.951 1.00 0.00 N ATOM 0 H ASN A 87 18.458 -3.299 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 87 15.693 -4.352 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.742 -4.023 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.045 -5.100 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.268 -3.165 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.549 -4.741 3.090 1.00 0.00 H new ATOM 1292 N SER A 88 14.727 -2.029 0.127 1.00 0.00 N ATOM 1293 CA SER A 88 14.161 -0.687 0.049 1.00 0.00 C ATOM 1294 C SER A 88 12.768 -0.648 0.670 1.00 0.00 C ATOM 1295 O SER A 88 12.143 -1.686 0.886 1.00 0.00 O ATOM 1296 CB SER A 88 14.096 -0.221 -1.407 1.00 0.00 C ATOM 1297 OG SER A 88 13.325 -1.113 -2.193 1.00 0.00 O ATOM 0 H SER A 88 14.058 -2.755 0.384 1.00 0.00 H new ATOM 0 HA SER A 88 14.809 -0.013 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.662 0.778 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.104 -0.150 -1.815 1.00 0.00 H new ATOM 0 HG SER A 88 13.657 -1.107 -3.115 1.00 0.00 H new ATOM 1303 N ASN A 89 12.287 0.558 0.956 1.00 0.00 N ATOM 1304 CA ASN A 89 10.968 0.734 1.553 1.00 0.00 C ATOM 1305 C ASN A 89 10.391 2.102 1.204 1.00 0.00 C ATOM 1306 O ASN A 89 11.126 3.028 0.860 1.00 0.00 O ATOM 1307 CB ASN A 89 11.048 0.574 3.072 1.00 0.00 C ATOM 1308 CG ASN A 89 12.036 1.535 3.704 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.946 2.032 3.040 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.861 1.802 4.993 1.00 0.00 N ATOM 0 H ASN A 89 12.791 1.428 0.784 1.00 0.00 H new ATOM 0 HA ASN A 89 10.308 -0.033 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.061 0.736 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.337 -0.449 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.495 2.442 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.093 1.367 5.504 1.00 0.00 H new ATOM 1317 N ALA A 90 9.071 2.222 1.296 1.00 0.00 N ATOM 1318 CA ALA A 90 8.395 3.478 0.992 1.00 0.00 C ATOM 1319 C ALA A 90 7.244 3.730 1.961 1.00 0.00 C ATOM 1320 O ALA A 90 6.785 2.815 2.645 1.00 0.00 O ATOM 1321 CB ALA A 90 7.888 3.471 -0.442 1.00 0.00 C ATOM 0 H ALA A 90 8.448 1.465 1.578 1.00 0.00 H new ATOM 0 HA ALA A 90 9.116 4.287 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.386 4.415 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.729 3.345 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.186 2.648 -0.576 1.00 0.00 H new ATOM 1327 N SER A 91 6.783 4.975 2.013 1.00 0.00 N ATOM 1328 CA SER A 91 5.689 5.348 2.902 1.00 0.00 C ATOM 1329 C SER A 91 4.609 6.113 2.142 1.00 0.00 C ATOM 1330 O SER A 91 4.854 6.641 1.058 1.00 0.00 O ATOM 1331 CB SER A 91 6.212 6.198 4.062 1.00 0.00 C ATOM 1332 OG SER A 91 7.271 7.039 3.640 1.00 0.00 O ATOM 0 H SER A 91 7.150 5.743 1.450 1.00 0.00 H new ATOM 0 HA SER A 91 5.250 4.434 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.402 6.804 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.557 5.548 4.866 1.00 0.00 H new ATOM 0 HG SER A 91 7.587 7.573 4.399 1.00 0.00 H new ATOM 1338 N ALA A 92 3.414 6.169 2.721 1.00 0.00 N ATOM 1339 CA ALA A 92 2.297 6.871 2.101 1.00 0.00 C ATOM 1340 C ALA A 92 1.151 7.060 3.089 1.00 0.00 C ATOM 1341 O ALA A 92 0.756 6.123 3.783 1.00 0.00 O ATOM 1342 CB ALA A 92 1.817 6.115 0.871 1.00 0.00 C ATOM 0 H ALA A 92 3.195 5.737 3.618 1.00 0.00 H new ATOM 0 HA ALA A 92 2.644 7.858 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.983 6.650 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.632 6.037 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.492 5.116 1.162 1.00 0.00 H new ATOM 1348 N TYR A 93 0.622 8.277 3.148 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.477 8.589 4.054 1.00 0.00 C ATOM 1350 C TYR A 93 -1.818 8.507 3.332 1.00 0.00 C ATOM 1351 O TYR A 93 -1.963 8.989 2.208 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.292 9.985 4.652 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.291 10.317 5.736 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.579 10.732 5.419 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -0.948 10.215 7.079 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.495 11.037 6.407 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.858 10.516 8.074 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.130 10.927 7.733 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.040 11.228 8.720 1.00 0.00 O ATOM 0 H TYR A 93 0.936 9.063 2.579 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.472 7.853 4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.715 10.065 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.373 10.725 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.869 10.818 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.047 9.895 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.491 11.360 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.575 10.430 9.113 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.625 11.098 9.598 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.798 7.893 3.987 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.129 7.746 3.409 1.00 0.00 C ATOM 1371 C LEU A 94 -5.151 8.576 4.180 1.00 0.00 C ATOM 1372 O LEU A 94 -5.259 8.469 5.400 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.547 6.275 3.408 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.002 5.991 3.033 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.177 6.009 1.522 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.450 4.654 3.607 1.00 0.00 C ATOM 0 H LEU A 94 -2.696 7.489 4.918 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.094 8.108 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.902 5.735 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.362 5.865 4.401 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.627 6.775 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.219 5.805 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.897 6.989 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.541 5.246 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.488 4.469 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.821 3.858 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.363 4.677 4.693 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.900 9.403 3.457 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.915 10.251 4.072 1.00 0.00 C ATOM 1390 C ASN A 95 -8.316 9.718 3.785 1.00 0.00 C ATOM 1391 O ASN A 95 -8.709 9.567 2.628 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.788 11.687 3.561 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.080 12.468 3.704 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.879 12.113 4.704 1.00 0.00 O flip ATOM 1395 ND2 ASN A 95 -8.357 13.379 2.924 1.00 0.00 N flip ATOM 0 H ASN A 95 -5.823 9.504 2.445 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.756 10.242 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.996 12.196 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.490 11.672 2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.713 13.618 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.230 13.895 3.032 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.065 9.436 4.846 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.423 8.923 4.708 1.00 0.00 C ATOM 1404 C VAL A 96 -11.436 9.873 5.336 1.00 0.00 C ATOM 1405 O VAL A 96 -11.272 10.307 6.476 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.566 7.534 5.358 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.989 7.019 5.210 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.570 6.557 4.752 1.00 0.00 C ATOM 0 H VAL A 96 -8.755 9.554 5.810 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.623 8.839 3.640 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.348 7.626 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.071 6.037 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.678 7.709 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.240 6.941 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.685 5.581 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.754 6.467 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.556 6.922 4.917 1.00 0.00 H new ATOM 1418 N SER A 97 -12.485 10.192 4.584 1.00 0.00 N ATOM 1419 CA SER A 97 -13.525 11.094 5.066 1.00 0.00 C ATOM 1420 C SER A 97 -14.894 10.425 5.007 1.00 0.00 C ATOM 1421 O SER A 97 -15.094 9.457 4.273 1.00 0.00 O ATOM 1422 CB SER A 97 -13.537 12.380 4.238 1.00 0.00 C ATOM 1423 OG SER A 97 -14.076 13.460 4.981 1.00 0.00 O ATOM 0 H SER A 97 -12.637 9.839 3.639 1.00 0.00 H new ATOM 0 HA SER A 97 -13.305 11.341 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.522 12.622 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.125 12.228 3.333 1.00 0.00 H new ATOM 0 HG SER A 97 -14.071 14.271 4.430 1.00 0.00 H new ATOM 1429 N SER A 98 -15.835 10.948 5.786 1.00 0.00 N ATOM 1430 CA SER A 98 -17.186 10.400 5.827 1.00 0.00 C ATOM 1431 C SER A 98 -18.068 11.050 4.765 1.00 0.00 C ATOM 1432 O SER A 98 -18.071 12.270 4.607 1.00 0.00 O ATOM 1433 CB SER A 98 -17.801 10.604 7.212 1.00 0.00 C ATOM 1434 OG SER A 98 -19.036 9.919 7.329 1.00 0.00 O ATOM 0 H SER A 98 -15.687 11.751 6.398 1.00 0.00 H new ATOM 0 HA SER A 98 -17.124 9.332 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.110 10.247 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.954 11.668 7.392 1.00 0.00 H new ATOM 0 HG SER A 98 -19.407 10.064 8.224 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.817 10.225 4.040 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.694 10.737 3.003 1.00 0.00 C ATOM 1442 C GLY A 99 -21.052 11.143 3.539 1.00 0.00 C ATOM 1443 O GLY A 99 -21.506 10.653 4.573 1.00 0.00 O ATOM 0 H GLY A 99 -18.832 9.211 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.224 11.597 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.824 9.976 2.233 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.723 12.061 2.828 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.047 12.554 3.221 1.00 0.00 C ATOM 1449 C PRO A 100 -24.131 11.494 3.060 1.00 0.00 C ATOM 1450 O PRO A 100 -25.160 11.538 3.735 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.291 13.719 2.258 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.456 13.406 1.065 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.242 12.688 1.585 1.00 0.00 C ATOM 0 HA PRO A 100 -23.081 12.838 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.345 13.799 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.001 14.670 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.004 12.784 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.174 14.317 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.879 11.945 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.418 13.376 1.775 1.00 0.00 H new ATOM 1461 N SER A 101 -23.894 10.542 2.164 1.00 0.00 N ATOM 1462 CA SER A 101 -24.852 9.473 1.913 1.00 0.00 C ATOM 1463 C SER A 101 -24.198 8.325 1.150 1.00 0.00 C ATOM 1464 O SER A 101 -23.527 8.539 0.140 1.00 0.00 O ATOM 1465 CB SER A 101 -26.050 10.007 1.124 1.00 0.00 C ATOM 1466 OG SER A 101 -25.674 10.365 -0.194 1.00 0.00 O ATOM 0 H SER A 101 -23.046 10.489 1.599 1.00 0.00 H new ATOM 0 HA SER A 101 -25.198 9.096 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 101 -26.833 9.250 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.468 10.875 1.635 1.00 0.00 H new ATOM 0 HG SER A 101 -26.457 10.701 -0.678 1.00 0.00 H new ATOM 1472 N SER A 102 -24.399 7.106 1.640 1.00 0.00 N ATOM 1473 CA SER A 102 -23.826 5.923 1.008 1.00 0.00 C ATOM 1474 C SER A 102 -22.339 6.121 0.733 1.00 0.00 C ATOM 1475 O SER A 102 -21.804 5.608 -0.249 1.00 0.00 O ATOM 1476 CB SER A 102 -24.561 5.610 -0.297 1.00 0.00 C ATOM 1477 OG SER A 102 -25.674 4.764 -0.065 1.00 0.00 O ATOM 0 H SER A 102 -24.955 6.911 2.473 1.00 0.00 H new ATOM 0 HA SER A 102 -23.942 5.083 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.896 6.538 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.877 5.132 -0.998 1.00 0.00 H new ATOM 0 HG SER A 102 -26.128 4.580 -0.914 1.00 0.00 H new ATOM 1483 N GLY A 103 -21.676 6.871 1.608 1.00 0.00 N ATOM 1484 CA GLY A 103 -20.257 7.125 1.443 1.00 0.00 C ATOM 1485 C GLY A 103 -19.545 7.325 2.766 1.00 0.00 C ATOM 1486 O GLY A 103 -19.075 6.365 3.377 1.00 0.00 O ATOM 0 H GLY A 103 -22.097 7.307 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -19.801 6.290 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.120 8.011 0.823 1.00 0.00 H new TER 1490 GLY A 103