USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 553 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 70 ASN : amide:sc= 0.0996 K(o=0.24,f=-2.7!) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.139 USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.113 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 71:sc= 0.977 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.14 F(o=-2.4!,f=-0.14) USER MOD Single : A 8 THR OG1 : rot -81:sc= 1.33 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00701) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.212 USER MOD Single : A 20 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.81) USER MOD Single : A 21 SER OG : rot -140:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.49) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.143 USER MOD Single : A 52 SER OG : rot 76:sc= -0.891! USER MOD Single : A 53 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.97) USER MOD Single : A 57 SER OG : rot -70:sc= 1.43 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= 2.49 (180deg=1.55) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 68 THR OG1 : rot -160:sc= -0.0817 USER MOD Single : A 76 ASN :FLIP amide:sc= -1.23 F(o=-2.3!,f=-1.2) USER MOD Single : A 79 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.579 6.679 7.380 1.00 0.00 N ATOM 2 CA ALA A 1 -8.594 5.878 6.623 1.00 0.00 C ATOM 3 C ALA A 1 -9.160 4.499 6.316 1.00 0.00 C ATOM 4 O ALA A 1 -10.362 4.276 6.445 1.00 0.00 O ATOM 5 CB ALA A 1 -7.296 5.759 7.411 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.727 7.590 6.901 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.481 6.163 7.430 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.223 6.848 8.342 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.382 6.382 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.579 5.167 6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.886 6.753 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.493 5.272 8.366 1.00 0.00 H new ATOM 13 N THR A 2 -8.297 3.579 5.912 1.00 0.00 N ATOM 14 CA THR A 2 -8.716 2.218 5.632 1.00 0.00 C ATOM 15 C THR A 2 -8.383 1.309 6.808 1.00 0.00 C ATOM 16 O THR A 2 -7.217 0.999 7.049 1.00 0.00 O ATOM 17 CB THR A 2 -8.039 1.680 4.359 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.285 2.725 3.724 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.074 1.133 3.389 1.00 0.00 C ATOM 0 H THR A 2 -7.302 3.752 5.771 1.00 0.00 H new ATOM 0 HA THR A 2 -9.795 2.228 5.475 1.00 0.00 H new ATOM 0 HB THR A 2 -7.367 0.871 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.494 2.932 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.574 0.758 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.625 0.321 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.767 1.927 3.110 1.00 0.00 H new ATOM 27 N THR A 3 -9.401 0.901 7.548 1.00 0.00 N ATOM 28 CA THR A 3 -9.208 0.048 8.708 1.00 0.00 C ATOM 29 C THR A 3 -9.004 -1.403 8.286 1.00 0.00 C ATOM 30 O THR A 3 -9.814 -1.970 7.549 1.00 0.00 O ATOM 31 CB THR A 3 -10.406 0.138 9.672 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.832 1.503 9.794 1.00 0.00 O ATOM 33 CG2 THR A 3 -10.045 -0.412 11.046 1.00 0.00 C ATOM 0 H THR A 3 -10.373 1.148 7.364 1.00 0.00 H new ATOM 0 HA THR A 3 -8.315 0.400 9.225 1.00 0.00 H new ATOM 0 HB THR A 3 -11.218 -0.463 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.595 1.554 10.407 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.909 -0.336 11.707 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.749 -1.457 10.953 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.218 0.163 11.462 1.00 0.00 H new ATOM 41 N ILE A 4 -7.906 -1.987 8.740 1.00 0.00 N ATOM 42 CA ILE A 4 -7.587 -3.368 8.433 1.00 0.00 C ATOM 43 C ILE A 4 -8.365 -4.307 9.345 1.00 0.00 C ATOM 44 O ILE A 4 -7.951 -4.576 10.471 1.00 0.00 O ATOM 45 CB ILE A 4 -6.076 -3.652 8.589 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.251 -2.567 7.895 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.732 -5.024 8.026 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.821 -2.492 8.389 1.00 0.00 C ATOM 0 H ILE A 4 -7.216 -1.519 9.328 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.868 -3.541 7.394 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.832 -3.643 9.651 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.248 -2.754 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.732 -1.601 8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.664 -5.208 8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.294 -5.789 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.992 -5.059 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.293 -1.702 7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.816 -2.274 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.324 -3.446 8.211 1.00 0.00 H new ATOM 60 N GLY A 5 -9.502 -4.779 8.864 1.00 0.00 N ATOM 61 CA GLY A 5 -10.291 -5.717 9.627 1.00 0.00 C ATOM 62 C GLY A 5 -10.200 -7.119 9.061 1.00 0.00 C ATOM 63 O GLY A 5 -9.654 -7.310 7.972 1.00 0.00 O ATOM 0 H GLY A 5 -9.893 -4.528 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.951 -5.720 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.332 -5.395 9.634 1.00 0.00 H new ATOM 67 N PRO A 6 -10.732 -8.123 9.770 1.00 0.00 N ATOM 68 CA PRO A 6 -10.705 -9.516 9.314 1.00 0.00 C ATOM 69 C PRO A 6 -11.639 -9.740 8.130 1.00 0.00 C ATOM 70 O PRO A 6 -11.548 -10.744 7.422 1.00 0.00 O ATOM 71 CB PRO A 6 -11.191 -10.299 10.536 1.00 0.00 C ATOM 72 CG PRO A 6 -12.034 -9.331 11.295 1.00 0.00 C ATOM 73 CD PRO A 6 -11.407 -7.981 11.075 1.00 0.00 C ATOM 0 HA PRO A 6 -9.717 -9.820 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.765 -11.177 10.241 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.354 -10.653 11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.064 -9.346 10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.060 -9.582 12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.156 -7.189 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.701 -7.733 11.867 1.00 0.00 H new ATOM 81 N ASN A 7 -12.530 -8.788 7.914 1.00 0.00 N ATOM 82 CA ASN A 7 -13.484 -8.869 6.825 1.00 0.00 C ATOM 83 C ASN A 7 -13.109 -7.881 5.734 1.00 0.00 C ATOM 84 O ASN A 7 -13.943 -7.121 5.246 1.00 0.00 O ATOM 85 CB ASN A 7 -14.901 -8.596 7.331 1.00 0.00 C ATOM 86 CG ASN A 7 -15.545 -9.816 7.962 1.00 0.00 C ATOM 87 OD1 ASN A 7 -15.066 -10.998 7.606 1.00 0.00 O flip ATOM 88 ND2 ASN A 7 -16.466 -9.697 8.770 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.612 -7.945 8.483 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.459 -9.877 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.872 -7.788 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.519 -8.253 6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.809 -8.769 9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.887 -10.526 9.190 1.00 0.00 H new ATOM 95 N THR A 8 -11.834 -7.878 5.381 1.00 0.00 N ATOM 96 CA THR A 8 -11.330 -7.007 4.335 1.00 0.00 C ATOM 97 C THR A 8 -11.794 -7.492 2.965 1.00 0.00 C ATOM 98 O THR A 8 -12.569 -6.818 2.282 1.00 0.00 O ATOM 99 CB THR A 8 -9.795 -6.968 4.374 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.323 -7.951 5.307 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.295 -5.590 4.779 1.00 0.00 C ATOM 0 H THR A 8 -11.125 -8.474 5.808 1.00 0.00 H new ATOM 0 HA THR A 8 -11.721 -6.004 4.506 1.00 0.00 H new ATOM 0 HB THR A 8 -9.413 -7.187 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.378 -7.591 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.205 -5.590 4.799 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.645 -4.850 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.676 -5.341 5.770 1.00 0.00 H new ATOM 109 N CYS A 9 -11.334 -8.670 2.581 1.00 0.00 N ATOM 110 CA CYS A 9 -11.726 -9.270 1.318 1.00 0.00 C ATOM 111 C CYS A 9 -12.374 -10.629 1.569 1.00 0.00 C ATOM 112 O CYS A 9 -11.826 -11.466 2.288 1.00 0.00 O ATOM 113 CB CYS A 9 -10.511 -9.417 0.399 1.00 0.00 C ATOM 114 SG CYS A 9 -9.131 -8.289 0.792 1.00 0.00 S ATOM 0 H CYS A 9 -10.684 -9.233 3.130 1.00 0.00 H new ATOM 0 HA CYS A 9 -12.450 -8.620 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.152 -10.445 0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.825 -9.243 -0.630 1.00 0.00 H new ATOM 119 N SER A 10 -13.552 -10.835 0.996 1.00 0.00 N ATOM 120 CA SER A 10 -14.281 -12.084 1.168 1.00 0.00 C ATOM 121 C SER A 10 -13.801 -13.136 0.169 1.00 0.00 C ATOM 122 O SER A 10 -14.440 -13.372 -0.858 1.00 0.00 O ATOM 123 CB SER A 10 -15.779 -11.830 1.002 1.00 0.00 C ATOM 124 OG SER A 10 -16.065 -10.441 1.087 1.00 0.00 O ATOM 0 H SER A 10 -14.025 -10.150 0.406 1.00 0.00 H new ATOM 0 HA SER A 10 -14.093 -12.466 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.114 -12.217 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.332 -12.368 1.772 1.00 0.00 H new ATOM 0 HG SER A 10 -17.028 -10.298 0.977 1.00 0.00 H new ATOM 130 N ILE A 11 -12.667 -13.757 0.472 1.00 0.00 N ATOM 131 CA ILE A 11 -12.084 -14.771 -0.397 1.00 0.00 C ATOM 132 C ILE A 11 -11.407 -15.850 0.434 1.00 0.00 C ATOM 133 O ILE A 11 -11.668 -15.977 1.633 1.00 0.00 O ATOM 134 CB ILE A 11 -11.049 -14.165 -1.375 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.389 -12.922 -0.766 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.710 -13.824 -2.706 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.430 -12.217 -1.701 1.00 0.00 C ATOM 0 H ILE A 11 -12.130 -13.574 1.320 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.898 -15.202 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.272 -14.908 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.167 -12.221 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.853 -13.213 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.968 -13.399 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.127 -14.729 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.508 -13.100 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.004 -11.349 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.630 -12.901 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.964 -11.893 -2.594 1.00 0.00 H new ATOM 149 N ASP A 12 -10.543 -16.618 -0.214 1.00 0.00 N ATOM 150 CA ASP A 12 -9.750 -17.643 0.456 1.00 0.00 C ATOM 151 C ASP A 12 -8.860 -17.001 1.524 1.00 0.00 C ATOM 152 O ASP A 12 -8.669 -15.784 1.524 1.00 0.00 O ATOM 153 CB ASP A 12 -8.910 -18.385 -0.592 1.00 0.00 C ATOM 154 CG ASP A 12 -7.947 -19.394 0.000 1.00 0.00 C ATOM 155 OD1 ASP A 12 -8.312 -20.084 0.978 1.00 0.00 O ATOM 156 OD2 ASP A 12 -6.816 -19.497 -0.511 1.00 0.00 O ATOM 0 H ASP A 12 -10.371 -16.550 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.405 -18.358 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.579 -18.897 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.346 -17.656 -1.174 1.00 0.00 H new ATOM 161 N ASP A 13 -8.335 -17.817 2.435 1.00 0.00 N ATOM 162 CA ASP A 13 -7.511 -17.327 3.539 1.00 0.00 C ATOM 163 C ASP A 13 -6.336 -16.503 3.025 1.00 0.00 C ATOM 164 O ASP A 13 -5.349 -17.042 2.522 1.00 0.00 O ATOM 165 CB ASP A 13 -6.996 -18.492 4.385 1.00 0.00 C ATOM 166 CG ASP A 13 -6.537 -18.049 5.761 1.00 0.00 C ATOM 167 OD1 ASP A 13 -6.965 -16.969 6.221 1.00 0.00 O ATOM 168 OD2 ASP A 13 -5.755 -18.783 6.398 1.00 0.00 O ATOM 0 H ASP A 13 -8.467 -18.828 2.430 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.137 -16.686 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.784 -19.237 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.168 -18.975 3.867 1.00 0.00 H new ATOM 173 N TYR A 14 -6.462 -15.193 3.150 1.00 0.00 N ATOM 174 CA TYR A 14 -5.453 -14.270 2.664 1.00 0.00 C ATOM 175 C TYR A 14 -4.942 -13.407 3.806 1.00 0.00 C ATOM 176 O TYR A 14 -5.545 -13.368 4.880 1.00 0.00 O ATOM 177 CB TYR A 14 -6.041 -13.375 1.570 1.00 0.00 C ATOM 178 CG TYR A 14 -5.838 -13.906 0.170 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.572 -13.950 -0.394 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.909 -14.361 -0.585 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.377 -14.437 -1.670 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.724 -14.849 -1.865 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.455 -14.883 -2.403 1.00 0.00 C ATOM 184 OH TYR A 14 -5.262 -15.369 -3.678 1.00 0.00 O ATOM 0 H TYR A 14 -7.264 -14.741 3.590 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.625 -14.845 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.109 -13.252 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.589 -12.386 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.725 -13.597 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.904 -14.334 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.384 -14.468 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.568 -15.201 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.123 -15.644 -4.057 1.00 0.00 H new ATOM 194 N LYS A 15 -3.832 -12.727 3.580 1.00 0.00 N ATOM 195 CA LYS A 15 -3.302 -11.801 4.564 1.00 0.00 C ATOM 196 C LYS A 15 -3.401 -10.381 4.030 1.00 0.00 C ATOM 197 O LYS A 15 -3.136 -10.136 2.852 1.00 0.00 O ATOM 198 CB LYS A 15 -1.846 -12.128 4.913 1.00 0.00 C ATOM 199 CG LYS A 15 -1.465 -13.581 4.692 1.00 0.00 C ATOM 200 CD LYS A 15 -0.048 -13.700 4.157 1.00 0.00 C ATOM 201 CE LYS A 15 0.708 -14.835 4.822 1.00 0.00 C ATOM 202 NZ LYS A 15 1.100 -14.507 6.218 1.00 0.00 N ATOM 0 H LYS A 15 -3.281 -12.799 2.725 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.893 -11.895 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.190 -11.497 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.668 -11.872 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.550 -14.129 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.162 -14.040 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.078 -13.864 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.483 -12.763 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.088 -15.731 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.601 -15.065 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.714 -15.259 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.613 -13.603 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.248 -14.430 6.809 1.00 0.00 H new ATOM 216 N PRO A 16 -3.809 -9.435 4.880 1.00 0.00 N ATOM 217 CA PRO A 16 -3.932 -8.032 4.501 1.00 0.00 C ATOM 218 C PRO A 16 -2.569 -7.365 4.401 1.00 0.00 C ATOM 219 O PRO A 16 -1.739 -7.478 5.306 1.00 0.00 O ATOM 220 CB PRO A 16 -4.756 -7.411 5.641 1.00 0.00 C ATOM 221 CG PRO A 16 -5.183 -8.551 6.510 1.00 0.00 C ATOM 222 CD PRO A 16 -4.189 -9.648 6.277 1.00 0.00 C ATOM 0 HA PRO A 16 -4.397 -7.907 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.162 -6.692 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.620 -6.874 5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.199 -8.256 7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.191 -8.878 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.333 -9.570 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.627 -10.634 6.433 1.00 0.00 H new ATOM 230 N TYR A 17 -2.334 -6.682 3.297 1.00 0.00 N ATOM 231 CA TYR A 17 -1.056 -6.040 3.062 1.00 0.00 C ATOM 232 C TYR A 17 -1.240 -4.558 2.791 1.00 0.00 C ATOM 233 O TYR A 17 -2.126 -4.168 2.033 1.00 0.00 O ATOM 234 CB TYR A 17 -0.352 -6.698 1.885 1.00 0.00 C ATOM 235 CG TYR A 17 0.346 -7.981 2.252 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.621 -7.968 2.793 1.00 0.00 C ATOM 237 CD2 TYR A 17 -0.273 -9.207 2.059 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.261 -9.139 3.132 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.360 -10.382 2.395 1.00 0.00 C ATOM 240 CZ TYR A 17 1.629 -10.346 2.929 1.00 0.00 C ATOM 241 OH TYR A 17 2.268 -11.518 3.262 1.00 0.00 O ATOM 0 H TYR A 17 -3.014 -6.558 2.547 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.444 -6.154 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.082 -6.900 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.377 -6.001 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.121 -7.024 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.267 -9.240 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.254 -9.111 3.555 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.136 -11.329 2.241 1.00 0.00 H new ATOM 0 HH TYR A 17 2.877 -11.357 4.012 1.00 0.00 H new ATOM 251 N CYS A 18 -0.401 -3.747 3.411 1.00 0.00 N ATOM 252 CA CYS A 18 -0.453 -2.305 3.226 1.00 0.00 C ATOM 253 C CYS A 18 0.694 -1.841 2.341 1.00 0.00 C ATOM 254 O CYS A 18 1.866 -1.974 2.703 1.00 0.00 O ATOM 255 CB CYS A 18 -0.397 -1.587 4.575 1.00 0.00 C ATOM 256 SG CYS A 18 -1.961 -1.642 5.507 1.00 0.00 S ATOM 0 H CYS A 18 0.328 -4.063 4.050 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.396 -2.058 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.391 -2.034 5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.120 -0.546 4.410 1.00 0.00 H new ATOM 261 N CYS A 19 0.352 -1.319 1.175 1.00 0.00 N ATOM 262 CA CYS A 19 1.340 -0.800 0.242 1.00 0.00 C ATOM 263 C CYS A 19 0.694 0.233 -0.672 1.00 0.00 C ATOM 264 O CYS A 19 -0.505 0.182 -0.917 1.00 0.00 O ATOM 265 CB CYS A 19 1.935 -1.939 -0.590 1.00 0.00 C ATOM 266 SG CYS A 19 0.803 -3.345 -0.842 1.00 0.00 S ATOM 0 H CYS A 19 -0.612 -1.243 0.849 1.00 0.00 H new ATOM 0 HA CYS A 19 2.143 -0.325 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.233 -1.547 -1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.840 -2.298 -0.100 1.00 0.00 H new ATOM 271 N GLN A 20 1.480 1.176 -1.170 1.00 0.00 N ATOM 272 CA GLN A 20 0.947 2.194 -2.060 1.00 0.00 C ATOM 273 C GLN A 20 0.821 1.642 -3.471 1.00 0.00 C ATOM 274 O GLN A 20 1.819 1.470 -4.171 1.00 0.00 O ATOM 275 CB GLN A 20 1.844 3.431 -2.064 1.00 0.00 C ATOM 276 CG GLN A 20 1.080 4.737 -2.213 1.00 0.00 C ATOM 277 CD GLN A 20 1.976 5.884 -2.632 1.00 0.00 C ATOM 278 OE1 GLN A 20 2.815 6.343 -1.859 1.00 0.00 O ATOM 279 NE2 GLN A 20 1.812 6.351 -3.857 1.00 0.00 N ATOM 0 H GLN A 20 2.478 1.257 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.040 2.482 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.415 3.458 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.563 3.345 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.288 4.610 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.598 4.983 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.105 5.943 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.393 7.120 -4.192 1.00 0.00 H new ATOM 288 N SER A 21 -0.406 1.358 -3.873 1.00 0.00 N ATOM 289 CA SER A 21 -0.673 0.831 -5.207 1.00 0.00 C ATOM 290 C SER A 21 -1.692 1.693 -5.940 1.00 0.00 C ATOM 291 O SER A 21 -1.723 1.729 -7.173 1.00 0.00 O ATOM 292 CB SER A 21 -1.175 -0.609 -5.111 1.00 0.00 C ATOM 293 OG SER A 21 -0.548 -1.297 -4.043 1.00 0.00 O ATOM 0 H SER A 21 -1.237 1.483 -3.295 1.00 0.00 H new ATOM 0 HA SER A 21 0.258 0.848 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.255 -0.612 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.978 -1.129 -6.048 1.00 0.00 H new ATOM 0 HG SER A 21 -0.342 -2.214 -4.321 1.00 0.00 H new ATOM 299 N MET A 22 -2.527 2.385 -5.181 1.00 0.00 N ATOM 300 CA MET A 22 -3.558 3.224 -5.766 1.00 0.00 C ATOM 301 C MET A 22 -3.094 4.677 -5.845 1.00 0.00 C ATOM 302 O MET A 22 -2.332 5.042 -6.736 1.00 0.00 O ATOM 303 CB MET A 22 -4.860 3.114 -4.965 1.00 0.00 C ATOM 304 CG MET A 22 -6.107 3.403 -5.787 1.00 0.00 C ATOM 305 SD MET A 22 -5.853 3.159 -7.558 1.00 0.00 S ATOM 306 CE MET A 22 -6.158 1.399 -7.704 1.00 0.00 C ATOM 0 H MET A 22 -2.510 2.382 -4.161 1.00 0.00 H new ATOM 0 HA MET A 22 -3.749 2.874 -6.780 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.936 2.110 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.820 3.808 -4.125 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.917 2.757 -5.449 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.424 4.431 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.039 1.094 -8.744 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.448 0.854 -7.083 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.173 1.177 -7.375 1.00 0.00 H new ATOM 316 N SER A 23 -3.538 5.499 -4.905 1.00 0.00 N ATOM 317 CA SER A 23 -3.208 6.915 -4.914 1.00 0.00 C ATOM 318 C SER A 23 -2.524 7.328 -3.615 1.00 0.00 C ATOM 319 O SER A 23 -2.651 6.657 -2.590 1.00 0.00 O ATOM 320 CB SER A 23 -4.476 7.738 -5.133 1.00 0.00 C ATOM 321 OG SER A 23 -5.440 6.986 -5.857 1.00 0.00 O ATOM 0 H SER A 23 -4.128 5.208 -4.126 1.00 0.00 H new ATOM 0 HA SER A 23 -2.512 7.103 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.890 8.041 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.234 8.651 -5.678 1.00 0.00 H new ATOM 0 HG SER A 23 -6.247 7.527 -5.987 1.00 0.00 H new ATOM 327 N GLY A 24 -1.786 8.424 -3.667 1.00 0.00 N ATOM 328 CA GLY A 24 -1.113 8.920 -2.488 1.00 0.00 C ATOM 329 C GLY A 24 0.059 9.810 -2.837 1.00 0.00 C ATOM 330 O GLY A 24 0.057 10.452 -3.889 1.00 0.00 O ATOM 0 H GLY A 24 -1.641 8.981 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.821 9.477 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.764 8.079 -1.889 1.00 0.00 H new ATOM 334 N PRO A 25 1.079 9.865 -1.973 1.00 0.00 N ATOM 335 CA PRO A 25 2.268 10.689 -2.202 1.00 0.00 C ATOM 336 C PRO A 25 3.072 10.225 -3.414 1.00 0.00 C ATOM 337 O PRO A 25 3.637 9.129 -3.417 1.00 0.00 O ATOM 338 CB PRO A 25 3.094 10.511 -0.917 1.00 0.00 C ATOM 339 CG PRO A 25 2.148 9.940 0.085 1.00 0.00 C ATOM 340 CD PRO A 25 1.158 9.131 -0.701 1.00 0.00 C ATOM 0 HA PRO A 25 2.002 11.725 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.940 9.844 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.500 11.463 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.674 9.318 0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.649 10.730 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.497 8.105 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.190 9.079 -0.202 1.00 0.00 H new ATOM 348 N ALA A 26 3.097 11.047 -4.454 1.00 0.00 N ATOM 349 CA ALA A 26 3.911 10.763 -5.629 1.00 0.00 C ATOM 350 C ALA A 26 5.362 11.142 -5.358 1.00 0.00 C ATOM 351 O ALA A 26 5.632 12.162 -4.719 1.00 0.00 O ATOM 352 CB ALA A 26 3.380 11.518 -6.836 1.00 0.00 C ATOM 0 H ALA A 26 2.564 11.915 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 26 3.861 9.696 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.999 11.295 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.353 11.212 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.407 12.589 -6.636 1.00 0.00 H new ATOM 358 N GLY A 27 6.289 10.320 -5.830 1.00 0.00 N ATOM 359 CA GLY A 27 7.693 10.545 -5.550 1.00 0.00 C ATOM 360 C GLY A 27 8.383 11.351 -6.633 1.00 0.00 C ATOM 361 O GLY A 27 8.957 12.410 -6.363 1.00 0.00 O ATOM 0 H GLY A 27 6.093 9.499 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.791 11.066 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.196 9.584 -5.441 1.00 0.00 H new ATOM 365 N SER A 28 8.333 10.853 -7.858 1.00 0.00 N ATOM 366 CA SER A 28 8.993 11.502 -8.978 1.00 0.00 C ATOM 367 C SER A 28 8.133 11.438 -10.238 1.00 0.00 C ATOM 368 O SER A 28 7.613 10.379 -10.588 1.00 0.00 O ATOM 369 CB SER A 28 10.355 10.849 -9.238 1.00 0.00 C ATOM 370 OG SER A 28 11.206 10.978 -8.108 1.00 0.00 O ATOM 0 H SER A 28 7.838 9.995 -8.102 1.00 0.00 H new ATOM 0 HA SER A 28 9.141 12.551 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.217 9.794 -9.475 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.824 11.312 -10.106 1.00 0.00 H new ATOM 0 HG SER A 28 12.068 10.552 -8.297 1.00 0.00 H new ATOM 376 N PRO A 29 7.948 12.583 -10.914 1.00 0.00 N ATOM 377 CA PRO A 29 7.226 12.645 -12.184 1.00 0.00 C ATOM 378 C PRO A 29 8.120 12.273 -13.371 1.00 0.00 C ATOM 379 O PRO A 29 9.300 12.633 -13.412 1.00 0.00 O ATOM 380 CB PRO A 29 6.803 14.108 -12.261 1.00 0.00 C ATOM 381 CG PRO A 29 7.861 14.854 -11.521 1.00 0.00 C ATOM 382 CD PRO A 29 8.416 13.912 -10.482 1.00 0.00 C ATOM 0 HA PRO A 29 6.393 11.943 -12.229 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.732 14.445 -13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.823 14.260 -11.809 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.646 15.186 -12.200 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.448 15.747 -11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.504 13.958 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.051 14.158 -9.485 1.00 0.00 H new ATOM 390 N GLY A 30 7.556 11.562 -14.336 1.00 0.00 N ATOM 391 CA GLY A 30 8.320 11.126 -15.491 1.00 0.00 C ATOM 392 C GLY A 30 8.290 12.140 -16.620 1.00 0.00 C ATOM 393 O GLY A 30 7.785 11.855 -17.706 1.00 0.00 O ATOM 0 H GLY A 30 6.577 11.277 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.353 10.948 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.923 10.176 -15.849 1.00 0.00 H new ATOM 397 N LEU A 31 8.831 13.324 -16.359 1.00 0.00 N ATOM 398 CA LEU A 31 8.852 14.400 -17.349 1.00 0.00 C ATOM 399 C LEU A 31 10.011 14.224 -18.326 1.00 0.00 C ATOM 400 O LEU A 31 9.999 14.769 -19.432 1.00 0.00 O ATOM 401 CB LEU A 31 8.955 15.762 -16.650 1.00 0.00 C ATOM 402 CG LEU A 31 10.228 15.978 -15.826 1.00 0.00 C ATOM 403 CD1 LEU A 31 10.917 17.270 -16.234 1.00 0.00 C ATOM 404 CD2 LEU A 31 9.907 15.992 -14.340 1.00 0.00 C ATOM 0 H LEU A 31 9.263 13.566 -15.467 1.00 0.00 H new ATOM 0 HA LEU A 31 7.921 14.358 -17.914 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.893 16.546 -17.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.092 15.882 -15.995 1.00 0.00 H new ATOM 0 HG LEU A 31 10.908 15.149 -16.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.819 17.405 -15.637 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.184 17.222 -17.290 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.243 18.110 -16.068 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.824 16.147 -13.771 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.207 16.800 -14.127 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.460 15.040 -14.055 1.00 0.00 H new ATOM 416 N LEU A 32 11.011 13.459 -17.913 1.00 0.00 N ATOM 417 CA LEU A 32 12.184 13.219 -18.742 1.00 0.00 C ATOM 418 C LEU A 32 11.981 11.970 -19.597 1.00 0.00 C ATOM 419 O LEU A 32 10.857 11.490 -19.746 1.00 0.00 O ATOM 420 CB LEU A 32 13.433 13.072 -17.865 1.00 0.00 C ATOM 421 CG LEU A 32 13.465 11.826 -16.975 1.00 0.00 C ATOM 422 CD1 LEU A 32 14.877 11.259 -16.901 1.00 0.00 C ATOM 423 CD2 LEU A 32 12.939 12.151 -15.584 1.00 0.00 C ATOM 0 H LEU A 32 11.034 12.992 -17.006 1.00 0.00 H new ATOM 0 HA LEU A 32 12.325 14.073 -19.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.311 13.060 -18.511 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.517 13.954 -17.230 1.00 0.00 H new ATOM 0 HG LEU A 32 12.817 11.069 -17.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.881 10.374 -16.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.213 10.988 -17.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.549 12.009 -16.484 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.969 11.254 -14.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.560 12.925 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.911 12.507 -15.658 1.00 0.00 H new ATOM 435 N ASN A 33 13.065 11.446 -20.151 1.00 0.00 N ATOM 436 CA ASN A 33 12.994 10.236 -20.960 1.00 0.00 C ATOM 437 C ASN A 33 12.915 9.008 -20.066 1.00 0.00 C ATOM 438 O ASN A 33 13.754 8.813 -19.180 1.00 0.00 O ATOM 439 CB ASN A 33 14.209 10.130 -21.891 1.00 0.00 C ATOM 440 CG ASN A 33 14.244 8.827 -22.678 1.00 0.00 C ATOM 441 OD1 ASN A 33 14.646 7.783 -22.161 1.00 0.00 O ATOM 442 ND2 ASN A 33 13.843 8.881 -23.936 1.00 0.00 N ATOM 0 H ASN A 33 14.002 11.838 -20.056 1.00 0.00 H new ATOM 0 HA ASN A 33 12.094 10.289 -21.572 1.00 0.00 H new ATOM 0 HB2 ASN A 33 14.200 10.968 -22.587 1.00 0.00 H new ATOM 0 HB3 ASN A 33 15.121 10.216 -21.300 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.860 8.040 -24.513 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.517 9.763 -24.330 1.00 0.00 H new ATOM 449 N LEU A 34 11.893 8.202 -20.282 1.00 0.00 N ATOM 450 CA LEU A 34 11.741 6.950 -19.568 1.00 0.00 C ATOM 451 C LEU A 34 11.433 5.838 -20.555 1.00 0.00 C ATOM 452 O LEU A 34 10.578 5.985 -21.431 1.00 0.00 O ATOM 453 CB LEU A 34 10.642 7.053 -18.502 1.00 0.00 C ATOM 454 CG LEU A 34 9.224 7.295 -19.027 1.00 0.00 C ATOM 455 CD1 LEU A 34 8.265 6.262 -18.457 1.00 0.00 C ATOM 456 CD2 LEU A 34 8.761 8.701 -18.677 1.00 0.00 C ATOM 0 H LEU A 34 11.149 8.395 -20.953 1.00 0.00 H new ATOM 0 HA LEU A 34 12.675 6.722 -19.054 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.641 6.132 -17.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.899 7.863 -17.819 1.00 0.00 H new ATOM 0 HG LEU A 34 9.234 7.196 -20.112 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.261 6.447 -18.839 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.588 5.264 -18.753 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.258 6.333 -17.369 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.751 8.857 -19.057 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.764 8.826 -17.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.435 9.429 -19.128 1.00 0.00 H new ATOM 468 N ILE A 35 12.142 4.736 -20.427 1.00 0.00 N ATOM 469 CA ILE A 35 11.967 3.623 -21.333 1.00 0.00 C ATOM 470 C ILE A 35 10.958 2.646 -20.754 1.00 0.00 C ATOM 471 O ILE A 35 10.952 2.404 -19.544 1.00 0.00 O ATOM 472 CB ILE A 35 13.299 2.890 -21.605 1.00 0.00 C ATOM 473 CG1 ILE A 35 14.059 2.637 -20.301 1.00 0.00 C ATOM 474 CG2 ILE A 35 14.159 3.700 -22.562 1.00 0.00 C ATOM 475 CD1 ILE A 35 14.473 1.193 -20.108 1.00 0.00 C ATOM 0 H ILE A 35 12.845 4.588 -19.703 1.00 0.00 H new ATOM 0 HA ILE A 35 11.603 4.019 -22.281 1.00 0.00 H new ATOM 0 HB ILE A 35 13.070 1.927 -22.061 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.949 3.267 -20.281 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.434 2.942 -19.462 1.00 0.00 H new ATOM 0 HG21 ILE A 35 15.095 3.172 -22.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.627 3.834 -23.504 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.372 4.675 -22.123 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.006 1.091 -19.163 1.00 0.00 H new ATOM 0 HD12 ILE A 35 13.586 0.559 -20.095 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.124 0.889 -20.927 1.00 0.00 H new ATOM 487 N PRO A 36 10.069 2.096 -21.593 1.00 0.00 N ATOM 488 CA PRO A 36 9.095 1.107 -21.144 1.00 0.00 C ATOM 489 C PRO A 36 9.792 -0.134 -20.606 1.00 0.00 C ATOM 490 O PRO A 36 10.570 -0.780 -21.314 1.00 0.00 O ATOM 491 CB PRO A 36 8.301 0.771 -22.412 1.00 0.00 C ATOM 492 CG PRO A 36 8.554 1.906 -23.342 1.00 0.00 C ATOM 493 CD PRO A 36 9.936 2.396 -23.028 1.00 0.00 C ATOM 0 HA PRO A 36 8.465 1.477 -20.335 1.00 0.00 H new ATOM 0 HB2 PRO A 36 8.631 -0.174 -22.844 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.238 0.669 -22.195 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.481 1.583 -24.381 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.818 2.697 -23.201 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.692 1.881 -23.621 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.043 3.462 -23.230 1.00 0.00 H new ATOM 501 N VAL A 37 9.506 -0.455 -19.358 1.00 0.00 N ATOM 502 CA VAL A 37 10.129 -1.578 -18.682 1.00 0.00 C ATOM 503 C VAL A 37 9.577 -1.691 -17.268 1.00 0.00 C ATOM 504 O VAL A 37 9.207 -0.687 -16.654 1.00 0.00 O ATOM 505 CB VAL A 37 11.674 -1.431 -18.636 1.00 0.00 C ATOM 506 CG1 VAL A 37 12.101 -0.347 -17.656 1.00 0.00 C ATOM 507 CG2 VAL A 37 12.334 -2.758 -18.295 1.00 0.00 C ATOM 0 H VAL A 37 8.835 0.056 -18.784 1.00 0.00 H new ATOM 0 HA VAL A 37 9.898 -2.483 -19.244 1.00 0.00 H new ATOM 0 HB VAL A 37 12.006 -1.129 -19.629 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.188 -0.271 -17.649 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.672 0.608 -17.960 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.749 -0.601 -16.656 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.416 -2.630 -18.269 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.985 -3.098 -17.320 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.075 -3.498 -19.052 1.00 0.00 H new ATOM 517 N ASP A 38 9.492 -2.907 -16.766 1.00 0.00 N ATOM 518 CA ASP A 38 9.068 -3.129 -15.400 1.00 0.00 C ATOM 519 C ASP A 38 10.175 -3.830 -14.629 1.00 0.00 C ATOM 520 O ASP A 38 10.738 -4.818 -15.098 1.00 0.00 O ATOM 521 CB ASP A 38 7.780 -3.954 -15.353 1.00 0.00 C ATOM 522 CG ASP A 38 7.397 -4.323 -13.937 1.00 0.00 C ATOM 523 OD1 ASP A 38 6.823 -3.463 -13.231 1.00 0.00 O ATOM 524 OD2 ASP A 38 7.683 -5.464 -13.525 1.00 0.00 O ATOM 0 H ASP A 38 9.712 -3.757 -17.285 1.00 0.00 H new ATOM 0 HA ASP A 38 8.863 -2.164 -14.937 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.970 -3.388 -15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.909 -4.862 -15.942 1.00 0.00 H new ATOM 529 N LEU A 39 10.495 -3.306 -13.460 1.00 0.00 N ATOM 530 CA LEU A 39 11.572 -3.853 -12.654 1.00 0.00 C ATOM 531 C LEU A 39 11.061 -4.289 -11.287 1.00 0.00 C ATOM 532 O LEU A 39 11.821 -4.802 -10.466 1.00 0.00 O ATOM 533 CB LEU A 39 12.687 -2.818 -12.489 1.00 0.00 C ATOM 534 CG LEU A 39 13.923 -3.057 -13.355 1.00 0.00 C ATOM 535 CD1 LEU A 39 13.765 -2.389 -14.711 1.00 0.00 C ATOM 536 CD2 LEU A 39 15.173 -2.552 -12.651 1.00 0.00 C ATOM 0 H LEU A 39 10.024 -2.501 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 39 11.970 -4.728 -13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.284 -1.832 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.993 -2.799 -11.443 1.00 0.00 H new ATOM 0 HG LEU A 39 14.028 -4.130 -13.514 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.656 -2.571 -15.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.893 -2.800 -15.220 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.633 -1.316 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 39 16.043 -2.731 -13.282 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.076 -1.483 -12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 39 15.296 -3.080 -11.705 1.00 0.00 H new ATOM 548 N SER A 40 9.771 -4.089 -11.045 1.00 0.00 N ATOM 549 CA SER A 40 9.191 -4.411 -9.751 1.00 0.00 C ATOM 550 C SER A 40 7.716 -4.784 -9.885 1.00 0.00 C ATOM 551 O SER A 40 6.830 -4.013 -9.504 1.00 0.00 O ATOM 552 CB SER A 40 9.355 -3.222 -8.799 1.00 0.00 C ATOM 553 OG SER A 40 9.669 -2.035 -9.515 1.00 0.00 O ATOM 0 H SER A 40 9.112 -3.708 -11.724 1.00 0.00 H new ATOM 0 HA SER A 40 9.718 -5.274 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.436 -3.076 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.144 -3.435 -8.078 1.00 0.00 H new ATOM 0 HG SER A 40 9.767 -1.290 -8.886 1.00 0.00 H new ATOM 559 N ALA A 41 7.456 -5.960 -10.441 1.00 0.00 N ATOM 560 CA ALA A 41 6.094 -6.472 -10.543 1.00 0.00 C ATOM 561 C ALA A 41 5.692 -7.165 -9.249 1.00 0.00 C ATOM 562 O ALA A 41 4.535 -7.539 -9.059 1.00 0.00 O ATOM 563 CB ALA A 41 5.964 -7.430 -11.718 1.00 0.00 C ATOM 0 H ALA A 41 8.169 -6.578 -10.828 1.00 0.00 H new ATOM 0 HA ALA A 41 5.423 -5.630 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.940 -7.799 -11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.213 -6.908 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.645 -8.270 -11.580 1.00 0.00 H new ATOM 569 N SER A 42 6.664 -7.341 -8.369 1.00 0.00 N ATOM 570 CA SER A 42 6.416 -7.927 -7.065 1.00 0.00 C ATOM 571 C SER A 42 5.826 -6.881 -6.126 1.00 0.00 C ATOM 572 O SER A 42 5.697 -5.709 -6.488 1.00 0.00 O ATOM 573 CB SER A 42 7.715 -8.475 -6.485 1.00 0.00 C ATOM 574 OG SER A 42 8.805 -8.229 -7.364 1.00 0.00 O ATOM 0 H SER A 42 7.637 -7.084 -8.537 1.00 0.00 H new ATOM 0 HA SER A 42 5.704 -8.745 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.910 -8.012 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.617 -9.547 -6.311 1.00 0.00 H new ATOM 0 HG SER A 42 9.629 -8.587 -6.972 1.00 0.00 H new ATOM 580 N LEU A 43 5.482 -7.295 -4.920 1.00 0.00 N ATOM 581 CA LEU A 43 4.815 -6.409 -3.990 1.00 0.00 C ATOM 582 C LEU A 43 5.689 -6.115 -2.783 1.00 0.00 C ATOM 583 O LEU A 43 6.042 -7.009 -2.017 1.00 0.00 O ATOM 584 CB LEU A 43 3.480 -7.012 -3.549 1.00 0.00 C ATOM 585 CG LEU A 43 2.270 -6.557 -4.367 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.330 -5.062 -4.629 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.200 -7.322 -5.676 1.00 0.00 C ATOM 0 H LEU A 43 5.654 -8.236 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 43 4.625 -5.465 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.552 -8.098 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.310 -6.758 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 43 1.368 -6.767 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.460 -4.760 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.335 -4.526 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.238 -4.826 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.334 -6.987 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.107 -7.140 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.109 -8.388 -5.470 1.00 0.00 H new ATOM 599 N GLY A 44 6.039 -4.852 -2.626 1.00 0.00 N ATOM 600 CA GLY A 44 6.769 -4.422 -1.453 1.00 0.00 C ATOM 601 C GLY A 44 5.825 -4.100 -0.316 1.00 0.00 C ATOM 602 O GLY A 44 5.923 -3.047 0.311 1.00 0.00 O ATOM 0 H GLY A 44 5.830 -4.110 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.462 -5.204 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.367 -3.543 -1.694 1.00 0.00 H new ATOM 606 N CYS A 45 4.911 -5.017 -0.057 1.00 0.00 N ATOM 607 CA CYS A 45 3.873 -4.808 0.930 1.00 0.00 C ATOM 608 C CYS A 45 4.275 -5.402 2.270 1.00 0.00 C ATOM 609 O CYS A 45 5.062 -6.343 2.330 1.00 0.00 O ATOM 610 CB CYS A 45 2.568 -5.442 0.456 1.00 0.00 C ATOM 611 SG CYS A 45 2.043 -4.909 -1.204 1.00 0.00 S ATOM 0 H CYS A 45 4.869 -5.923 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 45 3.730 -3.735 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.681 -6.526 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.780 -5.202 1.169 1.00 0.00 H new ATOM 616 N VAL A 46 3.718 -4.860 3.338 1.00 0.00 N ATOM 617 CA VAL A 46 3.975 -5.383 4.665 1.00 0.00 C ATOM 618 C VAL A 46 2.676 -5.886 5.281 1.00 0.00 C ATOM 619 O VAL A 46 1.588 -5.422 4.924 1.00 0.00 O ATOM 620 CB VAL A 46 4.642 -4.326 5.579 1.00 0.00 C ATOM 621 CG1 VAL A 46 3.613 -3.437 6.266 1.00 0.00 C ATOM 622 CG2 VAL A 46 5.546 -4.999 6.603 1.00 0.00 C ATOM 0 H VAL A 46 3.086 -4.060 3.311 1.00 0.00 H new ATOM 0 HA VAL A 46 4.674 -6.214 4.573 1.00 0.00 H new ATOM 0 HB VAL A 46 5.252 -3.682 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.124 -2.710 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.024 -2.913 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.954 -4.051 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.006 -4.241 7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.956 -5.677 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.324 -5.562 6.087 1.00 0.00 H new ATOM 632 N VAL A 47 2.796 -6.852 6.179 1.00 0.00 N ATOM 633 CA VAL A 47 1.634 -7.504 6.768 1.00 0.00 C ATOM 634 C VAL A 47 0.885 -6.553 7.690 1.00 0.00 C ATOM 635 O VAL A 47 1.427 -6.081 8.690 1.00 0.00 O ATOM 636 CB VAL A 47 2.023 -8.771 7.562 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.966 -9.850 7.389 1.00 0.00 C ATOM 638 CG2 VAL A 47 3.393 -9.282 7.134 1.00 0.00 C ATOM 0 H VAL A 47 3.691 -7.204 6.518 1.00 0.00 H new ATOM 0 HA VAL A 47 0.989 -7.796 5.940 1.00 0.00 H new ATOM 0 HB VAL A 47 2.079 -8.509 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.255 -10.736 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.007 -9.482 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.877 -10.106 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.644 -10.174 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.375 -9.526 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.142 -8.511 7.316 1.00 0.00 H new ATOM 648 N GLY A 48 -0.356 -6.277 7.341 1.00 0.00 N ATOM 649 CA GLY A 48 -1.159 -5.374 8.128 1.00 0.00 C ATOM 650 C GLY A 48 -1.789 -6.064 9.318 1.00 0.00 C ATOM 651 O GLY A 48 -2.457 -7.089 9.168 1.00 0.00 O ATOM 0 H GLY A 48 -0.824 -6.664 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.540 -4.547 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.941 -4.945 7.502 1.00 0.00 H new ATOM 655 N VAL A 49 -1.555 -5.521 10.500 1.00 0.00 N ATOM 656 CA VAL A 49 -2.148 -6.060 11.710 1.00 0.00 C ATOM 657 C VAL A 49 -3.612 -5.638 11.800 1.00 0.00 C ATOM 658 O VAL A 49 -3.934 -4.446 11.716 1.00 0.00 O ATOM 659 CB VAL A 49 -1.372 -5.617 12.979 1.00 0.00 C ATOM 660 CG1 VAL A 49 -0.824 -4.207 12.823 1.00 0.00 C ATOM 661 CG2 VAL A 49 -2.240 -5.723 14.226 1.00 0.00 C ATOM 0 H VAL A 49 -0.958 -4.707 10.647 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.089 -7.147 11.660 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.529 -6.297 13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.285 -3.924 13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.145 -4.173 11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.648 -3.512 12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.666 -5.405 15.097 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.116 -5.083 14.115 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.560 -6.756 14.360 1.00 0.00 H new ATOM 671 N ILE A 50 -4.489 -6.623 11.942 1.00 0.00 N ATOM 672 CA ILE A 50 -5.920 -6.375 12.015 1.00 0.00 C ATOM 673 C ILE A 50 -6.254 -5.517 13.234 1.00 0.00 C ATOM 674 O ILE A 50 -5.862 -5.831 14.356 1.00 0.00 O ATOM 675 CB ILE A 50 -6.716 -7.704 12.060 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.755 -8.336 10.668 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.131 -7.486 12.579 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.114 -9.705 10.602 1.00 0.00 C ATOM 0 H ILE A 50 -4.230 -7.607 12.009 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.212 -5.834 11.115 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.209 -8.380 12.748 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.793 -8.415 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.250 -7.674 9.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.662 -8.438 12.598 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.089 -7.074 13.587 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.656 -6.791 11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.180 -10.089 9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.067 -9.631 10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.633 -10.383 11.280 1.00 0.00 H new ATOM 690 N GLY A 51 -6.969 -4.425 12.995 1.00 0.00 N ATOM 691 CA GLY A 51 -7.326 -3.517 14.062 1.00 0.00 C ATOM 692 C GLY A 51 -6.742 -2.135 13.857 1.00 0.00 C ATOM 693 O GLY A 51 -7.185 -1.168 14.479 1.00 0.00 O ATOM 0 H GLY A 51 -7.309 -4.153 12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.412 -3.445 14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.976 -3.920 15.012 1.00 0.00 H new ATOM 697 N SER A 52 -5.752 -2.039 12.981 1.00 0.00 N ATOM 698 CA SER A 52 -5.100 -0.767 12.695 1.00 0.00 C ATOM 699 C SER A 52 -5.672 -0.126 11.435 1.00 0.00 C ATOM 700 O SER A 52 -6.364 -0.781 10.652 1.00 0.00 O ATOM 701 CB SER A 52 -3.595 -0.978 12.544 1.00 0.00 C ATOM 702 OG SER A 52 -3.183 -2.166 13.197 1.00 0.00 O ATOM 0 H SER A 52 -5.381 -2.829 12.454 1.00 0.00 H new ATOM 0 HA SER A 52 -5.287 -0.091 13.529 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.335 -1.031 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.060 -0.125 12.961 1.00 0.00 H new ATOM 0 HG SER A 52 -3.442 -2.942 12.658 1.00 0.00 H new ATOM 708 N GLN A 53 -5.385 1.154 11.244 1.00 0.00 N ATOM 709 CA GLN A 53 -5.839 1.871 10.063 1.00 0.00 C ATOM 710 C GLN A 53 -4.660 2.204 9.155 1.00 0.00 C ATOM 711 O GLN A 53 -3.632 2.706 9.613 1.00 0.00 O ATOM 712 CB GLN A 53 -6.567 3.154 10.467 1.00 0.00 C ATOM 713 CG GLN A 53 -8.056 2.956 10.701 1.00 0.00 C ATOM 714 CD GLN A 53 -8.453 3.174 12.148 1.00 0.00 C ATOM 715 OE1 GLN A 53 -7.658 2.960 13.065 1.00 0.00 O ATOM 716 NE2 GLN A 53 -9.688 3.591 12.363 1.00 0.00 N ATOM 0 H GLN A 53 -4.838 1.718 11.895 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.531 1.230 9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.113 3.549 11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.426 3.904 9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.614 3.645 10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.336 1.947 10.399 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.315 3.756 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.015 3.748 13.316 1.00 0.00 H new ATOM 725 N CYS A 54 -4.815 1.919 7.872 1.00 0.00 N ATOM 726 CA CYS A 54 -3.775 2.188 6.892 1.00 0.00 C ATOM 727 C CYS A 54 -4.205 3.310 5.952 1.00 0.00 C ATOM 728 O CYS A 54 -5.388 3.445 5.630 1.00 0.00 O ATOM 729 CB CYS A 54 -3.466 0.923 6.087 1.00 0.00 C ATOM 730 SG CYS A 54 -1.939 0.070 6.596 1.00 0.00 S ATOM 0 H CYS A 54 -5.658 1.498 7.483 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.875 2.500 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.304 0.232 6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.387 1.187 5.032 1.00 0.00 H new ATOM 735 N GLY A 55 -3.244 4.117 5.523 1.00 0.00 N ATOM 736 CA GLY A 55 -3.534 5.191 4.593 1.00 0.00 C ATOM 737 C GLY A 55 -3.180 4.806 3.174 1.00 0.00 C ATOM 738 O GLY A 55 -3.519 5.507 2.219 1.00 0.00 O ATOM 0 H GLY A 55 -2.266 4.047 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.592 5.446 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.976 6.082 4.879 1.00 0.00 H new ATOM 742 N ALA A 56 -2.475 3.694 3.048 1.00 0.00 N ATOM 743 CA ALA A 56 -2.119 3.153 1.746 1.00 0.00 C ATOM 744 C ALA A 56 -3.146 2.115 1.311 1.00 0.00 C ATOM 745 O ALA A 56 -4.125 1.871 2.018 1.00 0.00 O ATOM 746 CB ALA A 56 -0.723 2.544 1.789 1.00 0.00 C ATOM 0 H ALA A 56 -2.136 3.145 3.838 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.116 3.963 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.471 2.143 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.000 3.311 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.699 1.741 2.526 1.00 0.00 H new ATOM 752 N SER A 57 -2.911 1.495 0.162 1.00 0.00 N ATOM 753 CA SER A 57 -3.835 0.516 -0.376 1.00 0.00 C ATOM 754 C SER A 57 -3.660 -0.828 0.327 1.00 0.00 C ATOM 755 O SER A 57 -2.552 -1.364 0.402 1.00 0.00 O ATOM 756 CB SER A 57 -3.610 0.365 -1.885 1.00 0.00 C ATOM 757 OG SER A 57 -2.811 1.426 -2.399 1.00 0.00 O ATOM 0 H SER A 57 -2.085 1.656 -0.414 1.00 0.00 H new ATOM 0 HA SER A 57 -4.855 0.860 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.125 -0.590 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.571 0.350 -2.398 1.00 0.00 H new ATOM 0 HG SER A 57 -3.325 2.260 -2.383 1.00 0.00 H new ATOM 763 N VAL A 58 -4.752 -1.349 0.869 1.00 0.00 N ATOM 764 CA VAL A 58 -4.725 -2.640 1.533 1.00 0.00 C ATOM 765 C VAL A 58 -5.192 -3.736 0.586 1.00 0.00 C ATOM 766 O VAL A 58 -6.314 -3.692 0.077 1.00 0.00 O ATOM 767 CB VAL A 58 -5.606 -2.657 2.802 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.257 -3.855 3.675 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.458 -1.360 3.586 1.00 0.00 C ATOM 0 H VAL A 58 -5.666 -0.896 0.861 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.692 -2.822 1.831 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.647 -2.745 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.886 -3.852 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.425 -4.775 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.210 -3.797 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.089 -1.398 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.418 -1.232 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.762 -0.520 2.961 1.00 0.00 H new ATOM 779 N LYS A 59 -4.319 -4.700 0.343 1.00 0.00 N ATOM 780 CA LYS A 59 -4.626 -5.815 -0.539 1.00 0.00 C ATOM 781 C LYS A 59 -4.704 -7.109 0.254 1.00 0.00 C ATOM 782 O LYS A 59 -4.337 -7.147 1.428 1.00 0.00 O ATOM 783 CB LYS A 59 -3.566 -5.950 -1.639 1.00 0.00 C ATOM 784 CG LYS A 59 -3.024 -4.622 -2.139 1.00 0.00 C ATOM 785 CD LYS A 59 -2.050 -4.804 -3.299 1.00 0.00 C ATOM 786 CE LYS A 59 -2.587 -5.775 -4.341 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.953 -5.588 -5.674 1.00 0.00 N ATOM 0 H LYS A 59 -3.384 -4.732 0.748 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.591 -5.619 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.738 -6.550 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.996 -6.495 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.852 -3.989 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.522 -4.104 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.858 -3.839 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.096 -5.170 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.418 -6.797 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.665 -5.644 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.353 -6.272 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.136 -4.622 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.927 -5.739 -5.595 1.00 0.00 H new ATOM 801 N CYS A 60 -5.181 -8.160 -0.392 1.00 0.00 N ATOM 802 CA CYS A 60 -5.253 -9.473 0.221 1.00 0.00 C ATOM 803 C CYS A 60 -4.318 -10.411 -0.521 1.00 0.00 C ATOM 804 O CYS A 60 -4.623 -10.861 -1.629 1.00 0.00 O ATOM 805 CB CYS A 60 -6.691 -10.007 0.183 1.00 0.00 C ATOM 806 SG CYS A 60 -7.720 -9.504 1.604 1.00 0.00 S ATOM 0 H CYS A 60 -5.527 -8.126 -1.351 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.950 -9.405 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.169 -9.665 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.660 -11.096 0.140 1.00 0.00 H new ATOM 811 N CYS A 61 -3.167 -10.688 0.066 1.00 0.00 N ATOM 812 CA CYS A 61 -2.141 -11.446 -0.629 1.00 0.00 C ATOM 813 C CYS A 61 -1.579 -12.568 0.229 1.00 0.00 C ATOM 814 O CYS A 61 -1.740 -12.587 1.450 1.00 0.00 O ATOM 815 CB CYS A 61 -1.002 -10.520 -1.068 1.00 0.00 C ATOM 816 SG CYS A 61 -1.542 -8.855 -1.581 1.00 0.00 S ATOM 0 H CYS A 61 -2.920 -10.403 1.014 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.612 -11.895 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.292 -10.422 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.469 -10.987 -1.896 1.00 0.00 H new ATOM 821 N LYS A 62 -0.952 -13.516 -0.443 1.00 0.00 N ATOM 822 CA LYS A 62 -0.211 -14.582 0.192 1.00 0.00 C ATOM 823 C LYS A 62 0.822 -15.110 -0.800 1.00 0.00 C ATOM 824 O LYS A 62 0.679 -14.937 -2.019 1.00 0.00 O ATOM 825 CB LYS A 62 -1.140 -15.709 0.666 1.00 0.00 C ATOM 826 CG LYS A 62 -1.768 -16.510 -0.459 1.00 0.00 C ATOM 827 CD LYS A 62 -2.354 -17.811 0.056 1.00 0.00 C ATOM 828 CE LYS A 62 -3.833 -17.925 -0.277 1.00 0.00 C ATOM 829 NZ LYS A 62 -4.537 -18.862 0.635 1.00 0.00 N ATOM 0 H LYS A 62 -0.945 -13.565 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 62 0.290 -14.193 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.575 -16.385 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.933 -15.278 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.550 -15.920 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.018 -16.722 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.816 -18.652 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.217 -17.871 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.296 -16.940 -0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.948 -18.265 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.279 -19.367 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.857 -19.548 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.969 -18.328 1.416 1.00 0.00 H new ATOM 843 N ASP A 63 1.859 -15.738 -0.286 1.00 0.00 N ATOM 844 CA ASP A 63 2.970 -16.182 -1.119 1.00 0.00 C ATOM 845 C ASP A 63 3.837 -17.163 -0.363 1.00 0.00 C ATOM 846 O ASP A 63 3.501 -17.566 0.753 1.00 0.00 O ATOM 847 CB ASP A 63 3.820 -14.984 -1.543 1.00 0.00 C ATOM 848 CG ASP A 63 4.208 -15.040 -3.000 1.00 0.00 C ATOM 849 OD1 ASP A 63 4.877 -16.014 -3.409 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.846 -14.109 -3.740 1.00 0.00 O ATOM 0 H ASP A 63 1.961 -15.955 0.705 1.00 0.00 H new ATOM 0 HA ASP A 63 2.561 -16.671 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.267 -14.064 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.721 -14.947 -0.931 1.00 0.00 H new ATOM 855 N ASP A 64 4.958 -17.535 -0.960 1.00 0.00 N ATOM 856 CA ASP A 64 5.912 -18.408 -0.295 1.00 0.00 C ATOM 857 C ASP A 64 6.830 -17.591 0.601 1.00 0.00 C ATOM 858 O ASP A 64 8.013 -17.412 0.313 1.00 0.00 O ATOM 859 CB ASP A 64 6.740 -19.210 -1.298 1.00 0.00 C ATOM 860 CG ASP A 64 7.456 -20.369 -0.632 1.00 0.00 C ATOM 861 OD1 ASP A 64 6.785 -21.363 -0.287 1.00 0.00 O ATOM 862 OD2 ASP A 64 8.688 -20.287 -0.437 1.00 0.00 O ATOM 0 H ASP A 64 5.229 -17.247 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 64 5.347 -19.116 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.090 -19.588 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.470 -18.555 -1.773 1.00 0.00 H new ATOM 867 N VAL A 65 6.263 -17.063 1.670 1.00 0.00 N ATOM 868 CA VAL A 65 7.036 -16.339 2.662 1.00 0.00 C ATOM 869 C VAL A 65 6.845 -16.991 4.016 1.00 0.00 C ATOM 870 O VAL A 65 5.773 -16.902 4.612 1.00 0.00 O ATOM 871 CB VAL A 65 6.652 -14.846 2.768 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.878 -13.971 2.563 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.551 -14.475 1.781 1.00 0.00 C ATOM 0 H VAL A 65 5.265 -17.123 1.874 1.00 0.00 H new ATOM 0 HA VAL A 65 8.077 -16.381 2.342 1.00 0.00 H new ATOM 0 HB VAL A 65 6.260 -14.673 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.593 -12.922 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.622 -14.202 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.300 -14.161 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.309 -13.417 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.893 -14.669 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.663 -15.073 1.985 1.00 0.00 H new ATOM 883 N THR A 66 7.870 -17.668 4.481 1.00 0.00 N ATOM 884 CA THR A 66 7.793 -18.382 5.734 1.00 0.00 C ATOM 885 C THR A 66 8.002 -17.443 6.907 1.00 0.00 C ATOM 886 O THR A 66 7.056 -17.057 7.598 1.00 0.00 O ATOM 887 CB THR A 66 8.833 -19.511 5.766 1.00 0.00 C ATOM 888 OG1 THR A 66 9.834 -19.274 4.765 1.00 0.00 O ATOM 889 CG2 THR A 66 8.168 -20.850 5.513 1.00 0.00 C ATOM 0 H THR A 66 8.771 -17.739 4.007 1.00 0.00 H new ATOM 0 HA THR A 66 6.797 -18.816 5.818 1.00 0.00 H new ATOM 0 HB THR A 66 9.299 -19.530 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.497 -19.995 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.919 -21.640 5.539 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.419 -21.036 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.687 -20.838 4.535 1.00 0.00 H new ATOM 897 N ASN A 67 9.239 -17.072 7.105 1.00 0.00 N ATOM 898 CA ASN A 67 9.608 -16.145 8.165 1.00 0.00 C ATOM 899 C ASN A 67 10.821 -15.329 7.746 1.00 0.00 C ATOM 900 O ASN A 67 11.669 -15.802 6.986 1.00 0.00 O ATOM 901 CB ASN A 67 9.892 -16.892 9.475 1.00 0.00 C ATOM 902 CG ASN A 67 11.144 -17.746 9.411 1.00 0.00 C ATOM 903 OD1 ASN A 67 12.251 -17.268 9.668 1.00 0.00 O ATOM 904 ND2 ASN A 67 10.979 -19.015 9.076 1.00 0.00 N ATOM 0 H ASN A 67 10.025 -17.398 6.542 1.00 0.00 H new ATOM 0 HA ASN A 67 8.770 -15.470 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.993 -16.169 10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.039 -17.525 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.785 -19.637 9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.045 -19.371 8.871 1.00 0.00 H new ATOM 911 N THR A 68 10.877 -14.094 8.209 1.00 0.00 N ATOM 912 CA THR A 68 12.003 -13.217 7.929 1.00 0.00 C ATOM 913 C THR A 68 12.228 -12.257 9.093 1.00 0.00 C ATOM 914 O THR A 68 11.341 -11.481 9.449 1.00 0.00 O ATOM 915 CB THR A 68 11.782 -12.404 6.633 1.00 0.00 C ATOM 916 OG1 THR A 68 10.847 -13.080 5.780 1.00 0.00 O ATOM 917 CG2 THR A 68 13.098 -12.200 5.893 1.00 0.00 C ATOM 0 H THR A 68 10.150 -13.671 8.786 1.00 0.00 H new ATOM 0 HA THR A 68 12.882 -13.848 7.795 1.00 0.00 H new ATOM 0 HB THR A 68 11.381 -11.428 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.946 -12.752 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.919 -11.626 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 68 13.795 -11.659 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.523 -13.169 5.632 1.00 0.00 H new ATOM 925 N GLY A 69 13.414 -12.322 9.687 1.00 0.00 N ATOM 926 CA GLY A 69 13.741 -11.448 10.797 1.00 0.00 C ATOM 927 C GLY A 69 14.139 -10.060 10.333 1.00 0.00 C ATOM 928 O GLY A 69 15.135 -9.500 10.791 1.00 0.00 O ATOM 0 H GLY A 69 14.157 -12.967 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.883 -11.374 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.557 -11.885 11.373 1.00 0.00 H new ATOM 932 N ASN A 70 13.349 -9.506 9.429 1.00 0.00 N ATOM 933 CA ASN A 70 13.626 -8.202 8.850 1.00 0.00 C ATOM 934 C ASN A 70 12.455 -7.264 9.111 1.00 0.00 C ATOM 935 O ASN A 70 11.429 -7.687 9.649 1.00 0.00 O ATOM 936 CB ASN A 70 13.867 -8.333 7.342 1.00 0.00 C ATOM 937 CG ASN A 70 14.992 -7.443 6.846 1.00 0.00 C ATOM 938 OD1 ASN A 70 15.320 -6.429 7.467 1.00 0.00 O ATOM 939 ND2 ASN A 70 15.589 -7.812 5.724 1.00 0.00 N ATOM 0 H ASN A 70 12.499 -9.946 9.076 1.00 0.00 H new ATOM 0 HA ASN A 70 14.523 -7.792 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.100 -9.371 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.950 -8.082 6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.350 -7.250 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.288 -8.658 5.240 1.00 0.00 H new ATOM 946 N SER A 71 12.605 -6.003 8.727 1.00 0.00 N ATOM 947 CA SER A 71 11.556 -5.007 8.922 1.00 0.00 C ATOM 948 C SER A 71 10.332 -5.304 8.055 1.00 0.00 C ATOM 949 O SER A 71 9.214 -4.902 8.379 1.00 0.00 O ATOM 950 CB SER A 71 12.110 -3.622 8.594 1.00 0.00 C ATOM 951 OG SER A 71 13.527 -3.659 8.517 1.00 0.00 O ATOM 0 H SER A 71 13.446 -5.643 8.277 1.00 0.00 H new ATOM 0 HA SER A 71 11.236 -5.041 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.697 -3.274 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.800 -2.909 9.358 1.00 0.00 H new ATOM 0 HG SER A 71 13.867 -2.765 8.304 1.00 0.00 H new ATOM 957 N PHE A 72 10.554 -6.017 6.961 1.00 0.00 N ATOM 958 CA PHE A 72 9.482 -6.362 6.043 1.00 0.00 C ATOM 959 C PHE A 72 9.897 -7.552 5.178 1.00 0.00 C ATOM 960 O PHE A 72 11.088 -7.777 4.954 1.00 0.00 O ATOM 961 CB PHE A 72 9.111 -5.130 5.191 1.00 0.00 C ATOM 962 CG PHE A 72 9.253 -5.309 3.705 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.471 -5.106 3.079 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.163 -5.677 2.936 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.600 -5.268 1.713 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.285 -5.842 1.572 1.00 0.00 C ATOM 967 CZ PHE A 72 9.505 -5.638 0.960 1.00 0.00 C ATOM 0 H PHE A 72 11.472 -6.369 6.688 1.00 0.00 H new ATOM 0 HA PHE A 72 8.595 -6.659 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.079 -4.855 5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.737 -4.293 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.331 -4.818 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.206 -5.837 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.555 -5.105 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.427 -6.131 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.602 -5.768 -0.108 1.00 0.00 H new ATOM 977 N LEU A 73 8.917 -8.320 4.722 1.00 0.00 N ATOM 978 CA LEU A 73 9.174 -9.473 3.869 1.00 0.00 C ATOM 979 C LEU A 73 8.630 -9.218 2.468 1.00 0.00 C ATOM 980 O LEU A 73 7.454 -8.894 2.305 1.00 0.00 O ATOM 981 CB LEU A 73 8.533 -10.732 4.460 1.00 0.00 C ATOM 982 CG LEU A 73 7.278 -10.491 5.303 1.00 0.00 C ATOM 983 CD1 LEU A 73 6.072 -11.170 4.675 1.00 0.00 C ATOM 984 CD2 LEU A 73 7.489 -10.988 6.725 1.00 0.00 C ATOM 0 H LEU A 73 7.931 -8.164 4.930 1.00 0.00 H new ATOM 0 HA LEU A 73 10.251 -9.627 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.278 -11.408 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.273 -11.242 5.077 1.00 0.00 H new ATOM 0 HG LEU A 73 7.088 -9.418 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.190 -10.987 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.908 -10.768 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.252 -12.243 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.587 -10.809 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.705 -12.056 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.326 -10.455 7.176 1.00 0.00 H new ATOM 996 N ILE A 74 9.490 -9.353 1.466 1.00 0.00 N ATOM 997 CA ILE A 74 9.113 -9.076 0.086 1.00 0.00 C ATOM 998 C ILE A 74 8.075 -10.076 -0.424 1.00 0.00 C ATOM 999 O ILE A 74 8.171 -11.281 -0.181 1.00 0.00 O ATOM 1000 CB ILE A 74 10.349 -9.071 -0.850 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.935 -8.785 -2.298 1.00 0.00 C ATOM 1002 CG2 ILE A 74 11.102 -10.390 -0.760 1.00 0.00 C ATOM 1003 CD1 ILE A 74 9.722 -7.312 -2.585 1.00 0.00 C ATOM 0 H ILE A 74 10.457 -9.654 1.585 1.00 0.00 H new ATOM 0 HA ILE A 74 8.667 -8.081 0.074 1.00 0.00 H new ATOM 0 HB ILE A 74 11.016 -8.274 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.702 -9.171 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.015 -9.327 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.965 -10.363 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.439 -10.547 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.442 -11.206 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.431 -7.183 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.935 -6.925 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.647 -6.767 -2.396 1.00 0.00 H new ATOM 1015 N ILE A 75 7.073 -9.560 -1.119 1.00 0.00 N ATOM 1016 CA ILE A 75 6.010 -10.383 -1.666 1.00 0.00 C ATOM 1017 C ILE A 75 6.279 -10.683 -3.134 1.00 0.00 C ATOM 1018 O ILE A 75 6.365 -9.771 -3.958 1.00 0.00 O ATOM 1019 CB ILE A 75 4.639 -9.685 -1.514 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.424 -9.247 -0.065 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.508 -10.594 -1.965 1.00 0.00 C ATOM 1022 CD1 ILE A 75 4.571 -10.372 0.936 1.00 0.00 C ATOM 0 H ILE A 75 6.975 -8.564 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 75 5.985 -11.319 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 75 4.637 -8.802 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.138 -8.460 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.428 -8.814 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.556 -10.076 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.650 -10.858 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.506 -11.500 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.405 -9.988 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.839 -11.150 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.575 -10.790 0.868 1.00 0.00 H new ATOM 1034 N ASN A 76 6.417 -11.966 -3.450 1.00 0.00 N ATOM 1035 CA ASN A 76 6.720 -12.415 -4.808 1.00 0.00 C ATOM 1036 C ASN A 76 5.584 -12.056 -5.773 1.00 0.00 C ATOM 1037 O ASN A 76 5.809 -11.911 -6.978 1.00 0.00 O ATOM 1038 CB ASN A 76 6.975 -13.930 -4.799 1.00 0.00 C ATOM 1039 CG ASN A 76 6.820 -14.581 -6.160 1.00 0.00 C ATOM 1040 OD1 ASN A 76 5.849 -15.468 -6.275 1.00 0.00 O flip ATOM 1041 ND2 ASN A 76 7.578 -14.304 -7.092 1.00 0.00 N flip ATOM 0 H ASN A 76 6.323 -12.725 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 76 7.617 -11.905 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.983 -14.118 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.285 -14.402 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.316 -13.612 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.467 -14.767 -7.994 1.00 0.00 H new ATOM 1048 N ALA A 77 4.379 -11.909 -5.216 1.00 0.00 N ATOM 1049 CA ALA A 77 3.182 -11.507 -5.960 1.00 0.00 C ATOM 1050 C ALA A 77 2.561 -12.694 -6.686 1.00 0.00 C ATOM 1051 O ALA A 77 1.950 -12.539 -7.747 1.00 0.00 O ATOM 1052 CB ALA A 77 3.468 -10.360 -6.930 1.00 0.00 C ATOM 0 H ALA A 77 4.205 -12.068 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 77 2.460 -11.140 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.553 -10.095 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.829 -9.495 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.226 -10.672 -7.649 1.00 0.00 H new ATOM 1058 N ALA A 78 2.701 -13.875 -6.102 1.00 0.00 N ATOM 1059 CA ALA A 78 2.114 -15.080 -6.662 1.00 0.00 C ATOM 1060 C ALA A 78 0.611 -15.100 -6.436 1.00 0.00 C ATOM 1061 O ALA A 78 -0.170 -15.187 -7.380 1.00 0.00 O ATOM 1062 CB ALA A 78 2.752 -16.315 -6.053 1.00 0.00 C ATOM 0 H ALA A 78 3.219 -14.023 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 78 2.303 -15.083 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.300 -17.208 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.822 -16.313 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.593 -16.312 -4.975 1.00 0.00 H new ATOM 1068 N ASN A 79 0.206 -15.005 -5.176 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.206 -15.034 -4.838 1.00 0.00 C ATOM 1070 C ASN A 79 -1.594 -13.757 -4.115 1.00 0.00 C ATOM 1071 O ASN A 79 -1.769 -13.748 -2.905 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.542 -16.247 -3.955 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.615 -17.430 -4.168 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -0.949 -18.372 -4.887 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.551 -17.397 -3.535 1.00 0.00 N ATOM 0 H ASN A 79 0.833 -14.908 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.771 -15.116 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.499 -15.947 -2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.567 -16.559 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.208 -18.171 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.790 -16.598 -2.948 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.707 -12.671 -4.850 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.094 -11.403 -4.258 1.00 0.00 C ATOM 1084 C CYS A 80 -3.148 -10.729 -5.124 1.00 0.00 C ATOM 1085 O CYS A 80 -2.988 -10.620 -6.340 1.00 0.00 O ATOM 1086 CB CYS A 80 -0.864 -10.503 -4.085 1.00 0.00 C ATOM 1087 SG CYS A 80 -1.241 -8.788 -3.593 1.00 0.00 S ATOM 0 H CYS A 80 -1.538 -12.638 -5.855 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.523 -11.581 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.208 -10.946 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.309 -10.484 -5.023 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.236 -10.294 -4.502 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.334 -9.695 -5.246 1.00 0.00 C ATOM 1094 C VAL A 81 -5.805 -8.400 -4.595 1.00 0.00 C ATOM 1095 O VAL A 81 -5.660 -8.205 -3.386 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.535 -10.657 -5.374 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.411 -11.515 -6.625 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.672 -11.525 -4.130 1.00 0.00 C ATOM 0 H VAL A 81 -4.381 -10.344 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.947 -9.480 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.440 -10.056 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.268 -12.184 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.381 -10.873 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.495 -12.103 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.525 -12.194 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.765 -12.114 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.824 -10.889 -3.258 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.350 -7.520 -5.419 1.00 0.00 N ATOM 1109 CA ALA A 82 -6.936 -6.273 -4.961 1.00 0.00 C ATOM 1110 C ALA A 82 -8.136 -5.933 -5.829 1.00 0.00 C ATOM 1111 O ALA A 82 -8.145 -6.354 -7.008 1.00 0.00 O ATOM 1112 CB ALA A 82 -5.917 -5.149 -5.012 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.069 -5.269 -5.338 1.00 0.00 O ATOM 0 H ALA A 82 -6.398 -7.652 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.257 -6.391 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.378 -4.224 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.071 -5.396 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.570 -5.019 -6.037 1.00 0.00 H new TER 1119 ALA A 82