USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 25 HIS : no HE2:sc= -2.15 K(o=-2.7,f=-3.4!) USER MOD Set 1.2: A 30 MET CE :methyl 151:sc= -0.5 (180deg=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.227! USER MOD Single : A 3 SER OG : rot 26:sc= 0.208 USER MOD Single : A 5 SER OG : rot 36:sc= 0.275 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.126 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.46) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= 0.0213 K(o=0.021,f=-0.8) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.8!) USER MOD Single : A 62 TYR OH : rot 137:sc= 0.709 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00073 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.001 34.931 4.244 1.00 0.00 N ATOM 2 CA GLY A 1 3.644 33.542 4.466 1.00 0.00 C ATOM 3 C GLY A 1 3.970 32.662 3.276 1.00 0.00 C ATOM 4 O GLY A 1 3.073 32.109 2.639 1.00 0.00 O ATOM 0 H1 GLY A 1 3.758 35.491 5.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.023 35.002 4.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.478 35.297 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.172 33.170 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.578 33.474 4.683 1.00 0.00 H new ATOM 8 N SER A 2 5.258 32.532 2.973 1.00 0.00 N ATOM 9 CA SER A 2 5.700 31.717 1.847 1.00 0.00 C ATOM 10 C SER A 2 6.377 30.440 2.334 1.00 0.00 C ATOM 11 O SER A 2 7.301 30.484 3.146 1.00 0.00 O ATOM 12 CB SER A 2 6.662 32.512 0.962 1.00 0.00 C ATOM 13 OG SER A 2 7.954 32.574 1.541 1.00 0.00 O ATOM 0 H SER A 2 6.013 32.980 3.491 1.00 0.00 H new ATOM 0 HA SER A 2 4.822 31.442 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.723 32.048 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.277 33.521 0.816 1.00 0.00 H new ATOM 0 HG SER A 2 8.013 31.933 2.280 1.00 0.00 H new ATOM 19 N SER A 3 5.909 29.301 1.832 1.00 0.00 N ATOM 20 CA SER A 3 6.465 28.010 2.218 1.00 0.00 C ATOM 21 C SER A 3 6.331 26.999 1.083 1.00 0.00 C ATOM 22 O SER A 3 5.393 27.061 0.290 1.00 0.00 O ATOM 23 CB SER A 3 5.763 27.482 3.471 1.00 0.00 C ATOM 24 OG SER A 3 6.370 27.989 4.647 1.00 0.00 O ATOM 0 H SER A 3 5.146 29.247 1.157 1.00 0.00 H new ATOM 0 HA SER A 3 7.524 28.149 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.711 27.766 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.799 26.393 3.480 1.00 0.00 H new ATOM 0 HG SER A 3 6.801 28.847 4.449 1.00 0.00 H new ATOM 30 N GLY A 4 7.278 26.068 1.013 1.00 0.00 N ATOM 31 CA GLY A 4 7.248 25.057 -0.028 1.00 0.00 C ATOM 32 C GLY A 4 8.498 24.199 -0.038 1.00 0.00 C ATOM 33 O GLY A 4 9.607 24.708 -0.197 1.00 0.00 O ATOM 0 H GLY A 4 8.065 25.996 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.375 24.420 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.136 25.542 -0.998 1.00 0.00 H new ATOM 37 N SER A 5 8.318 22.893 0.133 1.00 0.00 N ATOM 38 CA SER A 5 9.441 21.963 0.149 1.00 0.00 C ATOM 39 C SER A 5 9.009 20.583 -0.338 1.00 0.00 C ATOM 40 O SER A 5 8.126 19.955 0.246 1.00 0.00 O ATOM 41 CB SER A 5 10.025 21.860 1.559 1.00 0.00 C ATOM 42 OG SER A 5 9.031 21.486 2.497 1.00 0.00 O ATOM 0 H SER A 5 7.406 22.455 0.262 1.00 0.00 H new ATOM 0 HA SER A 5 10.207 22.344 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.832 21.128 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.459 22.817 1.847 1.00 0.00 H new ATOM 0 HG SER A 5 8.411 20.851 2.081 1.00 0.00 H new ATOM 48 N SER A 6 9.639 20.117 -1.411 1.00 0.00 N ATOM 49 CA SER A 6 9.318 18.813 -1.980 1.00 0.00 C ATOM 50 C SER A 6 9.818 17.689 -1.077 1.00 0.00 C ATOM 51 O SER A 6 10.757 17.870 -0.303 1.00 0.00 O ATOM 52 CB SER A 6 9.935 18.675 -3.373 1.00 0.00 C ATOM 53 OG SER A 6 11.350 18.704 -3.310 1.00 0.00 O ATOM 0 H SER A 6 10.375 20.623 -1.904 1.00 0.00 H new ATOM 0 HA SER A 6 8.234 18.736 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.607 17.740 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.580 19.483 -4.013 1.00 0.00 H new ATOM 0 HG SER A 6 11.720 18.612 -4.213 1.00 0.00 H new ATOM 59 N GLY A 7 9.181 16.526 -1.182 1.00 0.00 N ATOM 60 CA GLY A 7 9.573 15.389 -0.370 1.00 0.00 C ATOM 61 C GLY A 7 8.385 14.687 0.257 1.00 0.00 C ATOM 62 O GLY A 7 7.714 15.246 1.124 1.00 0.00 O ATOM 0 H GLY A 7 8.401 16.351 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.126 14.680 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.250 15.724 0.416 1.00 0.00 H new ATOM 66 N GLU A 8 8.125 13.460 -0.183 1.00 0.00 N ATOM 67 CA GLU A 8 7.008 12.683 0.341 1.00 0.00 C ATOM 68 C GLU A 8 7.236 12.319 1.805 1.00 0.00 C ATOM 69 O GLU A 8 8.036 11.437 2.119 1.00 0.00 O ATOM 70 CB GLU A 8 6.810 11.412 -0.487 1.00 0.00 C ATOM 71 CG GLU A 8 5.903 11.604 -1.691 1.00 0.00 C ATOM 72 CD GLU A 8 6.289 12.810 -2.526 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.867 13.932 -2.177 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.013 12.630 -3.527 1.00 0.00 O ATOM 0 H GLU A 8 8.672 12.983 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 8 6.109 13.296 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.782 11.056 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.392 10.634 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.937 10.710 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.873 11.716 -1.351 1.00 0.00 H new ATOM 81 N CYS A 9 6.529 13.005 2.696 1.00 0.00 N ATOM 82 CA CYS A 9 6.655 12.756 4.128 1.00 0.00 C ATOM 83 C CYS A 9 5.383 13.161 4.864 1.00 0.00 C ATOM 84 O CYS A 9 4.571 13.926 4.344 1.00 0.00 O ATOM 85 CB CYS A 9 7.853 13.518 4.696 1.00 0.00 C ATOM 86 SG CYS A 9 8.437 12.895 6.289 1.00 0.00 S ATOM 0 H CYS A 9 5.863 13.738 2.452 1.00 0.00 H new ATOM 0 HA CYS A 9 6.812 11.687 4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.672 13.473 3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.583 14.568 4.806 1.00 0.00 H new ATOM 0 HG CYS A 9 9.453 13.602 6.685 1.00 0.00 H new ATOM 92 N GLU A 10 5.216 12.642 6.077 1.00 0.00 N ATOM 93 CA GLU A 10 4.040 12.949 6.883 1.00 0.00 C ATOM 94 C GLU A 10 3.976 14.439 7.206 1.00 0.00 C ATOM 95 O GLU A 10 4.972 15.154 7.095 1.00 0.00 O ATOM 96 CB GLU A 10 4.057 12.136 8.179 1.00 0.00 C ATOM 97 CG GLU A 10 3.672 10.678 7.988 1.00 0.00 C ATOM 98 CD GLU A 10 4.858 9.805 7.627 1.00 0.00 C ATOM 99 OE1 GLU A 10 5.918 9.947 8.272 1.00 0.00 O ATOM 100 OE2 GLU A 10 4.726 8.979 6.699 1.00 0.00 O ATOM 0 H GLU A 10 5.879 12.008 6.522 1.00 0.00 H new ATOM 0 HA GLU A 10 3.155 12.681 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.054 12.185 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.373 12.593 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.215 10.304 8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.919 10.605 7.203 1.00 0.00 H new ATOM 107 N VAL A 11 2.795 14.902 7.605 1.00 0.00 N ATOM 108 CA VAL A 11 2.600 16.306 7.945 1.00 0.00 C ATOM 109 C VAL A 11 2.615 16.514 9.455 1.00 0.00 C ATOM 110 O VAL A 11 3.032 17.564 9.944 1.00 0.00 O ATOM 111 CB VAL A 11 1.271 16.841 7.378 1.00 0.00 C ATOM 112 CG1 VAL A 11 0.095 16.065 7.951 1.00 0.00 C ATOM 113 CG2 VAL A 11 1.130 18.328 7.665 1.00 0.00 C ATOM 0 H VAL A 11 1.959 14.325 7.701 1.00 0.00 H new ATOM 0 HA VAL A 11 3.427 16.857 7.497 1.00 0.00 H new ATOM 0 HB VAL A 11 1.275 16.702 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.835 16.457 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.192 15.011 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.084 16.170 9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.186 18.689 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.148 18.494 8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.956 18.868 7.201 1.00 0.00 H new ATOM 123 N TYR A 12 2.158 15.506 10.190 1.00 0.00 N ATOM 124 CA TYR A 12 2.117 15.578 11.646 1.00 0.00 C ATOM 125 C TYR A 12 1.565 16.923 12.109 1.00 0.00 C ATOM 126 O TYR A 12 2.190 17.621 12.907 1.00 0.00 O ATOM 127 CB TYR A 12 3.514 15.360 12.227 1.00 0.00 C ATOM 128 CG TYR A 12 3.560 15.433 13.737 1.00 0.00 C ATOM 129 CD1 TYR A 12 2.882 14.505 14.518 1.00 0.00 C ATOM 130 CD2 TYR A 12 4.282 16.430 14.382 1.00 0.00 C ATOM 131 CE1 TYR A 12 2.921 14.569 15.898 1.00 0.00 C ATOM 132 CE2 TYR A 12 4.327 16.501 15.761 1.00 0.00 C ATOM 133 CZ TYR A 12 3.645 15.569 16.514 1.00 0.00 C ATOM 134 OH TYR A 12 3.687 15.635 17.888 1.00 0.00 O ATOM 0 H TYR A 12 1.811 14.629 9.801 1.00 0.00 H new ATOM 0 HA TYR A 12 1.454 14.791 12.006 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.883 14.386 11.907 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.191 16.108 11.815 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.315 13.721 14.039 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.817 17.162 13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.388 13.840 16.491 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.893 17.282 16.246 1.00 0.00 H new ATOM 0 HH TYR A 12 4.240 16.396 18.162 1.00 0.00 H new ATOM 144 N ASP A 13 0.389 17.279 11.603 1.00 0.00 N ATOM 145 CA ASP A 13 -0.249 18.538 11.965 1.00 0.00 C ATOM 146 C ASP A 13 -1.766 18.385 12.014 1.00 0.00 C ATOM 147 O ASP A 13 -2.411 18.035 11.025 1.00 0.00 O ATOM 148 CB ASP A 13 0.133 19.634 10.969 1.00 0.00 C ATOM 149 CG ASP A 13 1.401 20.363 11.368 1.00 0.00 C ATOM 150 OD1 ASP A 13 2.452 19.701 11.490 1.00 0.00 O ATOM 151 OD2 ASP A 13 1.341 21.596 11.558 1.00 0.00 O ATOM 0 H ASP A 13 -0.141 16.713 10.941 1.00 0.00 H new ATOM 0 HA ASP A 13 0.102 18.821 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.267 19.193 9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.685 20.350 10.890 1.00 0.00 H new ATOM 156 N PRO A 14 -2.351 18.650 13.191 1.00 0.00 N ATOM 157 CA PRO A 14 -3.799 18.547 13.397 1.00 0.00 C ATOM 158 C PRO A 14 -4.568 19.637 12.658 1.00 0.00 C ATOM 159 O PRO A 14 -5.795 19.596 12.574 1.00 0.00 O ATOM 160 CB PRO A 14 -3.955 18.716 14.911 1.00 0.00 C ATOM 161 CG PRO A 14 -2.757 19.496 15.330 1.00 0.00 C ATOM 162 CD PRO A 14 -1.644 19.072 14.412 1.00 0.00 C ATOM 0 HA PRO A 14 -4.199 17.608 13.016 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.877 19.243 15.158 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.995 17.750 15.415 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.942 20.567 15.250 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.503 19.293 16.370 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.953 19.891 14.213 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.059 18.258 14.839 1.00 0.00 H new ATOM 170 N ASN A 15 -3.839 20.611 12.123 1.00 0.00 N ATOM 171 CA ASN A 15 -4.454 21.712 11.391 1.00 0.00 C ATOM 172 C ASN A 15 -4.532 21.397 9.900 1.00 0.00 C ATOM 173 O ASN A 15 -5.397 21.911 9.191 1.00 0.00 O ATOM 174 CB ASN A 15 -3.662 23.003 11.610 1.00 0.00 C ATOM 175 CG ASN A 15 -2.582 23.203 10.565 1.00 0.00 C ATOM 176 OD1 ASN A 15 -2.835 23.750 9.491 1.00 0.00 O ATOM 177 ND2 ASN A 15 -1.369 22.760 10.875 1.00 0.00 N ATOM 0 H ASN A 15 -2.822 20.660 12.183 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.467 21.846 11.770 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.345 23.853 11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.207 22.983 12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.602 22.867 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.204 22.313 11.777 1.00 0.00 H new ATOM 184 N ALA A 16 -3.623 20.549 9.431 1.00 0.00 N ATOM 185 CA ALA A 16 -3.590 20.163 8.026 1.00 0.00 C ATOM 186 C ALA A 16 -4.643 19.103 7.723 1.00 0.00 C ATOM 187 O ALA A 16 -4.539 17.963 8.179 1.00 0.00 O ATOM 188 CB ALA A 16 -2.205 19.658 7.649 1.00 0.00 C ATOM 0 H ALA A 16 -2.899 20.116 10.004 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.818 21.045 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.195 19.373 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.472 20.446 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.954 18.792 8.261 1.00 0.00 H new ATOM 194 N LEU A 17 -5.656 19.484 6.953 1.00 0.00 N ATOM 195 CA LEU A 17 -6.729 18.565 6.590 1.00 0.00 C ATOM 196 C LEU A 17 -6.706 18.266 5.094 1.00 0.00 C ATOM 197 O LEU A 17 -6.636 19.177 4.269 1.00 0.00 O ATOM 198 CB LEU A 17 -8.085 19.153 6.984 1.00 0.00 C ATOM 199 CG LEU A 17 -8.156 19.813 8.361 1.00 0.00 C ATOM 200 CD1 LEU A 17 -9.562 20.324 8.636 1.00 0.00 C ATOM 201 CD2 LEU A 17 -7.721 18.836 9.444 1.00 0.00 C ATOM 0 H LEU A 17 -5.757 20.423 6.568 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.574 17.631 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.370 19.891 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.829 18.357 6.946 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.474 20.663 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.593 20.791 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.837 21.057 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.264 19.491 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.778 19.323 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.378 17.966 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.695 18.518 9.257 1.00 0.00 H new ATOM 213 N TYR A 18 -6.769 16.984 4.752 1.00 0.00 N ATOM 214 CA TYR A 18 -6.756 16.564 3.356 1.00 0.00 C ATOM 215 C TYR A 18 -7.875 15.566 3.077 1.00 0.00 C ATOM 216 O TYR A 18 -8.886 15.904 2.459 1.00 0.00 O ATOM 217 CB TYR A 18 -5.404 15.943 3.001 1.00 0.00 C ATOM 218 CG TYR A 18 -4.330 16.964 2.697 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.275 17.596 1.462 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.371 17.296 3.646 1.00 0.00 C ATOM 221 CE1 TYR A 18 -3.296 18.529 1.179 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.389 18.228 3.374 1.00 0.00 C ATOM 223 CZ TYR A 18 -2.355 18.841 2.139 1.00 0.00 C ATOM 224 OH TYR A 18 -1.378 19.770 1.862 1.00 0.00 O ATOM 0 H TYR A 18 -6.830 16.218 5.422 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.917 17.446 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.073 15.315 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.529 15.291 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.011 17.354 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.394 16.817 4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.267 19.011 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.652 18.475 4.124 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.796 19.876 2.643 1.00 0.00 H new ATOM 234 N CYS A 19 -7.688 14.333 3.536 1.00 0.00 N ATOM 235 CA CYS A 19 -8.680 13.283 3.337 1.00 0.00 C ATOM 236 C CYS A 19 -10.076 13.778 3.704 1.00 0.00 C ATOM 237 O CYS A 19 -10.227 14.790 4.389 1.00 0.00 O ATOM 238 CB CYS A 19 -8.327 12.053 4.176 1.00 0.00 C ATOM 239 SG CYS A 19 -9.478 10.656 3.968 1.00 0.00 S ATOM 0 H CYS A 19 -6.858 14.036 4.049 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.676 13.009 2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.322 11.724 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.305 12.338 5.228 1.00 0.00 H new ATOM 244 N ILE A 20 -11.093 13.058 3.243 1.00 0.00 N ATOM 245 CA ILE A 20 -12.476 13.422 3.523 1.00 0.00 C ATOM 246 C ILE A 20 -12.758 13.401 5.021 1.00 0.00 C ATOM 247 O ILE A 20 -13.655 14.092 5.505 1.00 0.00 O ATOM 248 CB ILE A 20 -13.463 12.476 2.813 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.168 11.022 3.187 1.00 0.00 C ATOM 250 CG2 ILE A 20 -13.388 12.666 1.306 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.117 10.030 2.553 1.00 0.00 C ATOM 0 H ILE A 20 -10.985 12.219 2.674 1.00 0.00 H new ATOM 0 HA ILE A 20 -12.618 14.434 3.143 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.474 12.718 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.148 10.778 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.217 10.917 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.091 11.991 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.642 13.696 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.377 12.448 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.848 9.020 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.137 10.247 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.052 10.106 1.468 1.00 0.00 H new ATOM 263 N CYS A 21 -11.984 12.606 5.752 1.00 0.00 N ATOM 264 CA CYS A 21 -12.148 12.495 7.196 1.00 0.00 C ATOM 265 C CYS A 21 -11.456 13.651 7.913 1.00 0.00 C ATOM 266 O CYS A 21 -11.335 13.652 9.138 1.00 0.00 O ATOM 267 CB CYS A 21 -11.584 11.162 7.694 1.00 0.00 C ATOM 268 SG CYS A 21 -9.784 10.987 7.472 1.00 0.00 S ATOM 0 H CYS A 21 -11.236 12.029 5.367 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.214 12.538 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.821 11.052 8.752 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.085 10.349 7.169 1.00 0.00 H new ATOM 273 N ARG A 22 -11.004 14.633 7.140 1.00 0.00 N ATOM 274 CA ARG A 22 -10.324 15.795 7.700 1.00 0.00 C ATOM 275 C ARG A 22 -9.170 15.367 8.601 1.00 0.00 C ATOM 276 O ARG A 22 -9.096 15.768 9.762 1.00 0.00 O ATOM 277 CB ARG A 22 -11.310 16.658 8.490 1.00 0.00 C ATOM 278 CG ARG A 22 -12.504 17.122 7.672 1.00 0.00 C ATOM 279 CD ARG A 22 -12.078 17.645 6.310 1.00 0.00 C ATOM 280 NE ARG A 22 -13.008 18.645 5.792 1.00 0.00 N ATOM 281 CZ ARG A 22 -12.760 19.395 4.724 1.00 0.00 C ATOM 282 NH1 ARG A 22 -11.618 19.259 4.064 1.00 0.00 N ATOM 283 NH2 ARG A 22 -13.656 20.284 4.314 1.00 0.00 N ATOM 0 H ARG A 22 -11.096 14.647 6.124 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.920 16.381 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.667 16.092 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.785 17.531 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.201 16.294 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.035 17.905 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.082 18.081 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.011 16.814 5.608 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.896 18.775 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.927 18.577 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.431 19.836 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.536 20.392 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.465 20.860 3.494 1.00 0.00 H new ATOM 297 N GLN A 23 -8.273 14.551 8.058 1.00 0.00 N ATOM 298 CA GLN A 23 -7.123 14.068 8.814 1.00 0.00 C ATOM 299 C GLN A 23 -5.824 14.343 8.064 1.00 0.00 C ATOM 300 O GLN A 23 -5.799 14.467 6.839 1.00 0.00 O ATOM 301 CB GLN A 23 -7.260 12.569 9.088 1.00 0.00 C ATOM 302 CG GLN A 23 -8.313 12.235 10.132 1.00 0.00 C ATOM 303 CD GLN A 23 -8.122 10.856 10.733 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.286 10.077 10.275 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.899 10.547 11.765 1.00 0.00 N ATOM 0 H GLN A 23 -8.320 14.210 7.098 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.093 14.603 9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.509 12.059 8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.297 12.179 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.281 12.981 10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.302 12.295 9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.579 11.224 12.112 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.816 9.633 12.210 1.00 0.00 H new ATOM 314 N PRO A 24 -4.717 14.443 8.815 1.00 0.00 N ATOM 315 CA PRO A 24 -3.393 14.705 8.242 1.00 0.00 C ATOM 316 C PRO A 24 -2.863 13.520 7.442 1.00 0.00 C ATOM 317 O PRO A 24 -3.300 12.384 7.632 1.00 0.00 O ATOM 318 CB PRO A 24 -2.517 14.954 9.473 1.00 0.00 C ATOM 319 CG PRO A 24 -3.200 14.225 10.578 1.00 0.00 C ATOM 320 CD PRO A 24 -4.672 14.306 10.280 1.00 0.00 C ATOM 0 HA PRO A 24 -3.411 15.538 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.504 14.582 9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.436 16.019 9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.868 13.188 10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.972 14.677 11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.200 13.414 10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.136 15.157 10.778 1.00 0.00 H new ATOM 328 N HIS A 25 -1.917 13.791 6.548 1.00 0.00 N ATOM 329 CA HIS A 25 -1.326 12.746 5.719 1.00 0.00 C ATOM 330 C HIS A 25 -0.347 11.900 6.528 1.00 0.00 C ATOM 331 O HIS A 25 0.774 12.325 6.804 1.00 0.00 O ATOM 332 CB HIS A 25 -0.612 13.363 4.516 1.00 0.00 C ATOM 333 CG HIS A 25 0.136 12.364 3.688 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.331 11.801 4.085 1.00 0.00 N ATOM 335 CD2 HIS A 25 -0.147 11.828 2.478 1.00 0.00 C ATOM 336 CE1 HIS A 25 1.751 10.963 3.155 1.00 0.00 C ATOM 337 NE2 HIS A 25 0.872 10.960 2.169 1.00 0.00 N ATOM 0 H HIS A 25 -1.543 14.725 6.379 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.129 12.101 5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.346 13.867 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.084 14.125 4.868 1.00 0.00 H new ATOM 0 HD1 HIS A 25 1.815 12.001 4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.013 12.043 1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.659 10.379 3.194 1.00 0.00 H new ATOM 346 N ASN A 26 -0.780 10.702 6.906 1.00 0.00 N ATOM 347 CA ASN A 26 0.058 9.797 7.684 1.00 0.00 C ATOM 348 C ASN A 26 0.687 8.733 6.790 1.00 0.00 C ATOM 349 O ASN A 26 0.318 8.590 5.624 1.00 0.00 O ATOM 350 CB ASN A 26 -0.765 9.129 8.788 1.00 0.00 C ATOM 351 CG ASN A 26 -1.662 10.112 9.515 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.192 11.103 10.074 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.963 9.842 9.509 1.00 0.00 N ATOM 0 H ASN A 26 -1.706 10.335 6.686 1.00 0.00 H new ATOM 0 HA ASN A 26 0.857 10.383 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.375 8.337 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.092 8.657 9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.616 10.468 9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.309 9.009 9.033 1.00 0.00 H new ATOM 360 N ASN A 27 1.637 7.988 7.344 1.00 0.00 N ATOM 361 CA ASN A 27 2.318 6.936 6.597 1.00 0.00 C ATOM 362 C ASN A 27 1.346 6.210 5.672 1.00 0.00 C ATOM 363 O ASN A 27 1.665 5.930 4.516 1.00 0.00 O ATOM 364 CB ASN A 27 2.968 5.938 7.557 1.00 0.00 C ATOM 365 CG ASN A 27 2.117 5.680 8.785 1.00 0.00 C ATOM 366 OD1 ASN A 27 2.179 6.423 9.765 1.00 0.00 O ATOM 367 ND2 ASN A 27 1.316 4.621 8.738 1.00 0.00 N ATOM 0 H ASN A 27 1.953 8.093 8.308 1.00 0.00 H new ATOM 0 HA ASN A 27 3.093 7.401 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.143 4.997 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.942 6.317 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.720 4.396 9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.297 4.033 7.905 1.00 0.00 H new ATOM 374 N ARG A 28 0.159 5.909 6.189 1.00 0.00 N ATOM 375 CA ARG A 28 -0.859 5.215 5.410 1.00 0.00 C ATOM 376 C ARG A 28 -0.835 5.671 3.954 1.00 0.00 C ATOM 377 O ARG A 28 -0.556 6.834 3.661 1.00 0.00 O ATOM 378 CB ARG A 28 -2.245 5.460 6.009 1.00 0.00 C ATOM 379 CG ARG A 28 -2.384 4.973 7.442 1.00 0.00 C ATOM 380 CD ARG A 28 -3.666 5.482 8.082 1.00 0.00 C ATOM 381 NE ARG A 28 -3.522 5.668 9.524 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.546 5.673 10.370 1.00 0.00 C ATOM 383 NH1 ARG A 28 -5.782 5.502 9.921 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.334 5.848 11.668 1.00 0.00 N ATOM 0 H ARG A 28 -0.121 6.135 7.143 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.640 4.148 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.463 6.527 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.992 4.962 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.375 3.883 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.527 5.308 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.950 6.428 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.474 4.777 7.886 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.584 5.801 9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.948 5.366 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.567 5.506 10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.384 5.979 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.121 5.852 12.317 1.00 0.00 H new ATOM 398 N PHE A 29 -1.130 4.747 3.045 1.00 0.00 N ATOM 399 CA PHE A 29 -1.140 5.054 1.619 1.00 0.00 C ATOM 400 C PHE A 29 -2.210 6.092 1.294 1.00 0.00 C ATOM 401 O PHE A 29 -3.269 6.125 1.921 1.00 0.00 O ATOM 402 CB PHE A 29 -1.383 3.782 0.804 1.00 0.00 C ATOM 403 CG PHE A 29 -1.546 4.035 -0.667 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.486 4.509 -1.424 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.759 3.800 -1.294 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.633 4.742 -2.778 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.912 4.031 -2.648 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.847 4.504 -3.391 1.00 0.00 C ATOM 0 H PHE A 29 -1.365 3.780 3.270 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.166 5.466 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.549 3.097 0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.277 3.284 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.466 4.698 -0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.595 3.432 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.201 5.110 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.862 3.842 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.964 4.687 -4.449 1.00 0.00 H new ATOM 418 N MET A 30 -1.925 6.939 0.310 1.00 0.00 N ATOM 419 CA MET A 30 -2.862 7.978 -0.099 1.00 0.00 C ATOM 420 C MET A 30 -2.943 8.069 -1.619 1.00 0.00 C ATOM 421 O MET A 30 -2.015 7.674 -2.324 1.00 0.00 O ATOM 422 CB MET A 30 -2.444 9.330 0.483 1.00 0.00 C ATOM 423 CG MET A 30 -2.681 9.447 1.980 1.00 0.00 C ATOM 424 SD MET A 30 -4.312 10.106 2.376 1.00 0.00 S ATOM 425 CE MET A 30 -3.890 11.771 2.884 1.00 0.00 C ATOM 0 H MET A 30 -1.053 6.926 -0.219 1.00 0.00 H new ATOM 0 HA MET A 30 -3.848 7.715 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.386 9.493 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.994 10.121 -0.027 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.569 8.465 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.917 10.092 2.415 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.724 12.439 2.669 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.682 11.783 3.954 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.007 12.105 2.339 1.00 0.00 H new ATOM 435 N ILE A 31 -4.059 8.592 -2.118 1.00 0.00 N ATOM 436 CA ILE A 31 -4.259 8.736 -3.554 1.00 0.00 C ATOM 437 C ILE A 31 -4.979 10.040 -3.881 1.00 0.00 C ATOM 438 O ILE A 31 -5.705 10.585 -3.050 1.00 0.00 O ATOM 439 CB ILE A 31 -5.067 7.558 -4.130 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.551 7.715 -3.792 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.534 6.237 -3.594 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.821 7.866 -2.311 1.00 0.00 C ATOM 0 H ILE A 31 -4.838 8.923 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.270 8.746 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.958 7.559 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.944 8.586 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.094 6.847 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.115 5.414 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.488 6.124 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.616 6.226 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.893 7.973 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.458 6.984 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.306 8.750 -1.936 1.00 0.00 H new ATOM 454 N CYS A 32 -4.774 10.532 -5.098 1.00 0.00 N ATOM 455 CA CYS A 32 -5.404 11.773 -5.536 1.00 0.00 C ATOM 456 C CYS A 32 -6.578 11.487 -6.467 1.00 0.00 C ATOM 457 O CYS A 32 -6.391 11.193 -7.648 1.00 0.00 O ATOM 458 CB CYS A 32 -4.383 12.666 -6.243 1.00 0.00 C ATOM 459 SG CYS A 32 -5.049 14.253 -6.797 1.00 0.00 S ATOM 0 H CYS A 32 -4.177 10.091 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.780 12.292 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.548 12.851 -5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.983 12.131 -7.105 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.110 14.937 -7.381 1.00 0.00 H new ATOM 465 N CYS A 33 -7.789 11.572 -5.926 1.00 0.00 N ATOM 466 CA CYS A 33 -8.995 11.320 -6.706 1.00 0.00 C ATOM 467 C CYS A 33 -9.080 12.270 -7.898 1.00 0.00 C ATOM 468 O CYS A 33 -8.723 13.444 -7.796 1.00 0.00 O ATOM 469 CB CYS A 33 -10.237 11.474 -5.827 1.00 0.00 C ATOM 470 SG CYS A 33 -11.792 10.995 -6.647 1.00 0.00 S ATOM 0 H CYS A 33 -7.961 11.814 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.949 10.298 -7.081 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.111 10.869 -4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.314 12.512 -5.504 1.00 0.00 H new ATOM 475 N ASP A 34 -9.555 11.754 -9.026 1.00 0.00 N ATOM 476 CA ASP A 34 -9.688 12.555 -10.237 1.00 0.00 C ATOM 477 C ASP A 34 -11.026 13.289 -10.257 1.00 0.00 C ATOM 478 O ASP A 34 -11.192 14.275 -10.975 1.00 0.00 O ATOM 479 CB ASP A 34 -9.559 11.670 -11.477 1.00 0.00 C ATOM 480 CG ASP A 34 -8.191 11.026 -11.589 1.00 0.00 C ATOM 481 OD1 ASP A 34 -7.196 11.768 -11.717 1.00 0.00 O ATOM 482 OD2 ASP A 34 -8.117 9.780 -11.549 1.00 0.00 O ATOM 0 H ASP A 34 -9.854 10.784 -9.127 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.887 13.294 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.322 10.892 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.750 12.268 -12.368 1.00 0.00 H new ATOM 487 N ARG A 35 -11.975 12.801 -9.466 1.00 0.00 N ATOM 488 CA ARG A 35 -13.298 13.409 -9.396 1.00 0.00 C ATOM 489 C ARG A 35 -13.355 14.461 -8.291 1.00 0.00 C ATOM 490 O ARG A 35 -14.070 15.457 -8.404 1.00 0.00 O ATOM 491 CB ARG A 35 -14.363 12.338 -9.150 1.00 0.00 C ATOM 492 CG ARG A 35 -14.809 11.622 -10.415 1.00 0.00 C ATOM 493 CD ARG A 35 -16.003 12.315 -11.055 1.00 0.00 C ATOM 494 NE ARG A 35 -16.010 12.161 -12.507 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.487 11.090 -13.131 1.00 0.00 C ATOM 496 NH1 ARG A 35 -16.993 10.083 -12.432 1.00 0.00 N ATOM 497 NH2 ARG A 35 -16.458 11.024 -14.456 1.00 0.00 N ATOM 0 H ARG A 35 -11.853 11.986 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.497 13.897 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.972 11.604 -8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.230 12.801 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.983 11.587 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.069 10.590 -10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.925 11.905 -10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.985 13.375 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.627 12.918 -13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.016 10.130 -11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.359 9.261 -12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.069 11.796 -14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.825 10.201 -14.934 1.00 0.00 H new ATOM 511 N CYS A 36 -12.597 14.232 -7.224 1.00 0.00 N ATOM 512 CA CYS A 36 -12.561 15.157 -6.098 1.00 0.00 C ATOM 513 C CYS A 36 -11.294 16.007 -6.133 1.00 0.00 C ATOM 514 O CYS A 36 -11.267 17.120 -5.609 1.00 0.00 O ATOM 515 CB CYS A 36 -12.639 14.390 -4.777 1.00 0.00 C ATOM 516 SG CYS A 36 -14.179 13.442 -4.557 1.00 0.00 S ATOM 0 H CYS A 36 -11.999 13.413 -7.116 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.423 15.819 -6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.792 13.706 -4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.539 15.096 -3.953 1.00 0.00 H new ATOM 521 N GLU A 37 -10.247 15.472 -6.754 1.00 0.00 N ATOM 522 CA GLU A 37 -8.977 16.181 -6.855 1.00 0.00 C ATOM 523 C GLU A 37 -8.369 16.410 -5.474 1.00 0.00 C ATOM 524 O GLU A 37 -7.700 17.415 -5.238 1.00 0.00 O ATOM 525 CB GLU A 37 -9.171 17.521 -7.567 1.00 0.00 C ATOM 526 CG GLU A 37 -9.681 17.386 -8.992 1.00 0.00 C ATOM 527 CD GLU A 37 -10.138 18.708 -9.577 1.00 0.00 C ATOM 528 OE1 GLU A 37 -11.228 19.181 -9.191 1.00 0.00 O ATOM 529 OE2 GLU A 37 -9.407 19.269 -10.419 1.00 0.00 O ATOM 0 H GLU A 37 -10.253 14.552 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.292 15.564 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.873 18.128 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.222 18.057 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.892 16.970 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.510 16.679 -9.011 1.00 0.00 H new ATOM 536 N GLU A 38 -8.607 15.468 -4.566 1.00 0.00 N ATOM 537 CA GLU A 38 -8.084 15.568 -3.209 1.00 0.00 C ATOM 538 C GLU A 38 -7.333 14.298 -2.820 1.00 0.00 C ATOM 539 O GLU A 38 -7.374 13.297 -3.536 1.00 0.00 O ATOM 540 CB GLU A 38 -9.222 15.824 -2.218 1.00 0.00 C ATOM 541 CG GLU A 38 -9.682 17.271 -2.180 1.00 0.00 C ATOM 542 CD GLU A 38 -8.751 18.158 -1.376 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.586 18.328 -1.791 1.00 0.00 O ATOM 544 OE2 GLU A 38 -9.189 18.683 -0.330 1.00 0.00 O ATOM 0 H GLU A 38 -9.158 14.628 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.387 16.406 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.069 15.189 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.897 15.529 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.752 17.653 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.683 17.319 -1.752 1.00 0.00 H new ATOM 551 N TRP A 39 -6.648 14.347 -1.684 1.00 0.00 N ATOM 552 CA TRP A 39 -5.886 13.201 -1.200 1.00 0.00 C ATOM 553 C TRP A 39 -6.650 12.463 -0.106 1.00 0.00 C ATOM 554 O TRP A 39 -6.865 12.997 0.982 1.00 0.00 O ATOM 555 CB TRP A 39 -4.524 13.654 -0.673 1.00 0.00 C ATOM 556 CG TRP A 39 -3.540 13.965 -1.759 1.00 0.00 C ATOM 557 CD1 TRP A 39 -3.219 15.200 -2.245 1.00 0.00 C ATOM 558 CD2 TRP A 39 -2.750 13.024 -2.496 1.00 0.00 C ATOM 559 NE1 TRP A 39 -2.277 15.084 -3.239 1.00 0.00 N ATOM 560 CE2 TRP A 39 -1.973 13.760 -3.411 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.623 11.633 -2.469 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.083 13.149 -4.291 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -1.740 11.028 -3.343 1.00 0.00 C ATOM 564 CH2 TRP A 39 -0.979 11.786 -4.244 1.00 0.00 C ATOM 0 H TRP A 39 -6.604 15.168 -1.080 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.734 12.517 -2.035 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.659 14.539 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.113 12.874 -0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.643 16.131 -1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.870 15.859 -3.764 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.204 11.041 -1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.496 13.731 -4.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.634 9.953 -3.332 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.297 11.284 -4.914 1.00 0.00 H new ATOM 575 N PHE A 40 -7.056 11.233 -0.400 1.00 0.00 N ATOM 576 CA PHE A 40 -7.796 10.422 0.559 1.00 0.00 C ATOM 577 C PHE A 40 -6.955 9.243 1.039 1.00 0.00 C ATOM 578 O PHE A 40 -5.934 8.909 0.437 1.00 0.00 O ATOM 579 CB PHE A 40 -9.097 9.914 -0.066 1.00 0.00 C ATOM 580 CG PHE A 40 -9.914 10.996 -0.713 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.296 12.117 0.006 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.301 10.891 -2.039 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.047 13.114 -0.586 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.052 11.885 -2.637 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.427 12.998 -1.909 1.00 0.00 C ATOM 0 H PHE A 40 -6.885 10.776 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.034 11.049 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.860 9.154 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.696 9.429 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.003 12.213 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.012 10.022 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.337 13.984 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.346 11.792 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.016 13.775 -2.373 1.00 0.00 H new ATOM 595 N HIS A 41 -7.391 8.616 2.127 1.00 0.00 N ATOM 596 CA HIS A 41 -6.678 7.474 2.688 1.00 0.00 C ATOM 597 C HIS A 41 -7.161 6.170 2.061 1.00 0.00 C ATOM 598 O HIS A 41 -8.361 5.902 2.008 1.00 0.00 O ATOM 599 CB HIS A 41 -6.866 7.424 4.205 1.00 0.00 C ATOM 600 CG HIS A 41 -6.159 8.525 4.933 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.819 9.488 5.667 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.840 8.813 5.038 1.00 0.00 C ATOM 603 CE1 HIS A 41 -5.938 10.321 6.191 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.729 9.933 5.825 1.00 0.00 N ATOM 0 H HIS A 41 -8.234 8.879 2.637 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.618 7.593 2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.931 7.474 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.506 6.464 4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.027 8.264 4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.167 11.174 6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.855 10.391 6.085 1.00 0.00 H new ATOM 612 N GLY A 42 -6.219 5.362 1.585 1.00 0.00 N ATOM 613 CA GLY A 42 -6.568 4.097 0.966 1.00 0.00 C ATOM 614 C GLY A 42 -7.669 3.371 1.714 1.00 0.00 C ATOM 615 O GLY A 42 -8.694 3.016 1.132 1.00 0.00 O ATOM 0 H GLY A 42 -5.219 5.561 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.886 4.274 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.683 3.462 0.921 1.00 0.00 H new ATOM 619 N ASP A 43 -7.456 3.148 3.006 1.00 0.00 N ATOM 620 CA ASP A 43 -8.438 2.458 3.835 1.00 0.00 C ATOM 621 C ASP A 43 -9.772 3.197 3.825 1.00 0.00 C ATOM 622 O ASP A 43 -10.827 2.595 3.620 1.00 0.00 O ATOM 623 CB ASP A 43 -7.924 2.327 5.269 1.00 0.00 C ATOM 624 CG ASP A 43 -7.375 3.632 5.809 1.00 0.00 C ATOM 625 OD1 ASP A 43 -6.300 4.063 5.342 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.020 4.224 6.699 1.00 0.00 O ATOM 0 H ASP A 43 -6.612 3.435 3.502 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.592 1.462 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.734 1.983 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.144 1.566 5.304 1.00 0.00 H new ATOM 631 N CYS A 44 -9.720 4.506 4.049 1.00 0.00 N ATOM 632 CA CYS A 44 -10.923 5.328 4.067 1.00 0.00 C ATOM 633 C CYS A 44 -11.747 5.116 2.801 1.00 0.00 C ATOM 634 O CYS A 44 -12.961 4.925 2.861 1.00 0.00 O ATOM 635 CB CYS A 44 -10.554 6.806 4.207 1.00 0.00 C ATOM 636 SG CYS A 44 -10.173 7.319 5.913 1.00 0.00 S ATOM 0 H CYS A 44 -8.856 5.020 4.221 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.525 5.027 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.691 7.015 3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.379 7.412 3.832 1.00 0.00 H new ATOM 641 N VAL A 45 -11.077 5.151 1.653 1.00 0.00 N ATOM 642 CA VAL A 45 -11.745 4.961 0.371 1.00 0.00 C ATOM 643 C VAL A 45 -11.645 3.512 -0.092 1.00 0.00 C ATOM 644 O VAL A 45 -11.849 3.209 -1.266 1.00 0.00 O ATOM 645 CB VAL A 45 -11.149 5.878 -0.714 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.394 7.339 -0.372 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.663 5.603 -0.885 1.00 0.00 C ATOM 0 H VAL A 45 -10.072 5.309 1.585 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.793 5.220 0.519 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.646 5.664 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.966 7.971 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.466 7.522 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.926 7.572 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.258 6.259 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.148 5.788 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.517 4.564 -1.180 1.00 0.00 H new ATOM 657 N GLY A 46 -11.329 2.619 0.841 1.00 0.00 N ATOM 658 CA GLY A 46 -11.207 1.211 0.510 1.00 0.00 C ATOM 659 C GLY A 46 -9.880 0.882 -0.143 1.00 0.00 C ATOM 660 O GLY A 46 -9.210 -0.075 0.246 1.00 0.00 O ATOM 0 H GLY A 46 -11.155 2.845 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.319 0.617 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.018 0.927 -0.160 1.00 0.00 H new ATOM 664 N ILE A 47 -9.499 1.676 -1.139 1.00 0.00 N ATOM 665 CA ILE A 47 -8.243 1.463 -1.847 1.00 0.00 C ATOM 666 C ILE A 47 -7.151 0.980 -0.897 1.00 0.00 C ATOM 667 O ILE A 47 -7.161 1.302 0.291 1.00 0.00 O ATOM 668 CB ILE A 47 -7.766 2.749 -2.547 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.790 3.194 -3.594 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.405 2.529 -3.189 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.823 2.310 -4.821 1.00 0.00 C ATOM 0 H ILE A 47 -10.042 2.472 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.431 0.698 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.670 3.538 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.780 3.207 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.565 4.216 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.082 3.447 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.681 2.253 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.475 1.729 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.571 2.685 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.844 2.316 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.078 1.291 -4.529 1.00 0.00 H new ATOM 683 N SER A 48 -6.210 0.208 -1.430 1.00 0.00 N ATOM 684 CA SER A 48 -5.112 -0.321 -0.630 1.00 0.00 C ATOM 685 C SER A 48 -3.785 -0.187 -1.372 1.00 0.00 C ATOM 686 O SER A 48 -3.754 -0.108 -2.599 1.00 0.00 O ATOM 687 CB SER A 48 -5.367 -1.789 -0.282 1.00 0.00 C ATOM 688 OG SER A 48 -6.086 -1.907 0.934 1.00 0.00 O ATOM 0 H SER A 48 -6.186 -0.065 -2.412 1.00 0.00 H new ATOM 0 HA SER A 48 -5.055 0.259 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.927 -2.265 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.417 -2.317 -0.199 1.00 0.00 H new ATOM 0 HG SER A 48 -6.238 -2.854 1.134 1.00 0.00 H new ATOM 694 N GLU A 49 -2.692 -0.161 -0.616 1.00 0.00 N ATOM 695 CA GLU A 49 -1.362 -0.034 -1.202 1.00 0.00 C ATOM 696 C GLU A 49 -1.202 -0.973 -2.394 1.00 0.00 C ATOM 697 O GLU A 49 -0.630 -0.600 -3.418 1.00 0.00 O ATOM 698 CB GLU A 49 -0.289 -0.335 -0.154 1.00 0.00 C ATOM 699 CG GLU A 49 1.048 0.326 -0.445 1.00 0.00 C ATOM 700 CD GLU A 49 1.896 0.500 0.800 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.482 1.261 1.699 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.974 -0.126 0.874 1.00 0.00 O ATOM 0 H GLU A 49 -2.701 -0.226 0.402 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.242 0.992 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.644 -0.004 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.146 -1.414 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.595 -0.274 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.876 1.301 -0.902 1.00 0.00 H new ATOM 709 N ALA A 50 -1.709 -2.193 -2.252 1.00 0.00 N ATOM 710 CA ALA A 50 -1.624 -3.185 -3.317 1.00 0.00 C ATOM 711 C ALA A 50 -2.313 -2.690 -4.584 1.00 0.00 C ATOM 712 O ALA A 50 -1.812 -2.887 -5.691 1.00 0.00 O ATOM 713 CB ALA A 50 -2.235 -4.502 -2.861 1.00 0.00 C ATOM 0 H ALA A 50 -2.183 -2.518 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.571 -3.346 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.165 -5.234 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.696 -4.870 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.282 -4.347 -2.602 1.00 0.00 H new ATOM 719 N ARG A 51 -3.464 -2.048 -4.415 1.00 0.00 N ATOM 720 CA ARG A 51 -4.222 -1.527 -5.546 1.00 0.00 C ATOM 721 C ARG A 51 -3.521 -0.320 -6.160 1.00 0.00 C ATOM 722 O ARG A 51 -3.131 -0.342 -7.327 1.00 0.00 O ATOM 723 CB ARG A 51 -5.635 -1.140 -5.105 1.00 0.00 C ATOM 724 CG ARG A 51 -6.662 -2.241 -5.315 1.00 0.00 C ATOM 725 CD ARG A 51 -7.180 -2.254 -6.745 1.00 0.00 C ATOM 726 NE ARG A 51 -8.464 -2.941 -6.855 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.623 -2.391 -6.510 1.00 0.00 C ATOM 728 NH1 ARG A 51 -9.659 -1.154 -6.035 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.750 -3.080 -6.640 1.00 0.00 N ATOM 0 H ARG A 51 -3.892 -1.876 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.286 -2.311 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.616 -0.870 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.948 -0.253 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.215 -3.207 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.495 -2.099 -4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.285 -1.229 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.451 -2.743 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.471 -3.895 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.795 -0.621 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.551 -0.735 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.726 -4.032 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.640 -2.657 -6.375 1.00 0.00 H new ATOM 743 N GLY A 52 -3.363 0.735 -5.366 1.00 0.00 N ATOM 744 CA GLY A 52 -2.710 1.937 -5.850 1.00 0.00 C ATOM 745 C GLY A 52 -1.378 1.646 -6.512 1.00 0.00 C ATOM 746 O GLY A 52 -1.038 2.250 -7.530 1.00 0.00 O ATOM 0 H GLY A 52 -3.676 0.778 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.364 2.441 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.556 2.624 -5.018 1.00 0.00 H new ATOM 750 N ARG A 53 -0.620 0.721 -5.933 1.00 0.00 N ATOM 751 CA ARG A 53 0.684 0.354 -6.472 1.00 0.00 C ATOM 752 C ARG A 53 0.573 -0.042 -7.942 1.00 0.00 C ATOM 753 O ARG A 53 1.412 0.333 -8.762 1.00 0.00 O ATOM 754 CB ARG A 53 1.286 -0.799 -5.667 1.00 0.00 C ATOM 755 CG ARG A 53 2.147 -0.343 -4.500 1.00 0.00 C ATOM 756 CD ARG A 53 3.600 -0.170 -4.915 1.00 0.00 C ATOM 757 NE ARG A 53 4.465 0.114 -3.773 1.00 0.00 N ATOM 758 CZ ARG A 53 5.660 0.684 -3.879 1.00 0.00 C ATOM 759 NH1 ARG A 53 6.129 1.031 -5.070 1.00 0.00 N ATOM 760 NH2 ARG A 53 6.388 0.910 -2.793 1.00 0.00 N ATOM 0 H ARG A 53 -0.886 0.212 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 53 1.338 1.222 -6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.479 -1.427 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.888 -1.419 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.764 0.600 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.082 -1.072 -3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.945 -1.075 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.676 0.642 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 53 4.133 -0.139 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.572 0.860 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.047 1.469 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.030 0.646 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.306 1.348 -2.876 1.00 0.00 H new ATOM 774 N LEU A 54 -0.468 -0.801 -8.267 1.00 0.00 N ATOM 775 CA LEU A 54 -0.689 -1.248 -9.638 1.00 0.00 C ATOM 776 C LEU A 54 -1.361 -0.156 -10.465 1.00 0.00 C ATOM 777 O LEU A 54 -0.910 0.171 -11.564 1.00 0.00 O ATOM 778 CB LEU A 54 -1.548 -2.514 -9.650 1.00 0.00 C ATOM 779 CG LEU A 54 -0.813 -3.826 -9.370 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.786 -4.889 -8.885 1.00 0.00 C ATOM 781 CD2 LEU A 54 -0.078 -4.301 -10.615 1.00 0.00 C ATOM 0 H LEU A 54 -1.172 -1.119 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 54 0.281 -1.470 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.340 -2.399 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.031 -2.592 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.079 -3.649 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.246 -5.815 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.267 -4.550 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.544 -5.064 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.439 -5.235 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.794 -4.461 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.648 -3.547 -10.919 1.00 0.00 H new ATOM 793 N LEU A 55 -2.439 0.405 -9.930 1.00 0.00 N ATOM 794 CA LEU A 55 -3.172 1.463 -10.617 1.00 0.00 C ATOM 795 C LEU A 55 -2.215 2.481 -11.228 1.00 0.00 C ATOM 796 O LEU A 55 -2.527 3.114 -12.236 1.00 0.00 O ATOM 797 CB LEU A 55 -4.127 2.161 -9.648 1.00 0.00 C ATOM 798 CG LEU A 55 -5.153 1.265 -8.954 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.601 1.884 -7.639 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.348 1.019 -9.864 1.00 0.00 C ATOM 0 H LEU A 55 -2.825 0.145 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.749 1.007 -11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.534 2.661 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.663 2.938 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.682 0.306 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.331 1.232 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.739 2.008 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.054 2.857 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.068 0.379 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.819 1.970 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.014 0.531 -10.779 1.00 0.00 H new ATOM 812 N GLU A 56 -1.046 2.631 -10.612 1.00 0.00 N ATOM 813 CA GLU A 56 -0.043 3.571 -11.096 1.00 0.00 C ATOM 814 C GLU A 56 0.601 3.065 -12.384 1.00 0.00 C ATOM 815 O GLU A 56 0.369 3.610 -13.463 1.00 0.00 O ATOM 816 CB GLU A 56 1.032 3.799 -10.031 1.00 0.00 C ATOM 817 CG GLU A 56 1.912 5.007 -10.303 1.00 0.00 C ATOM 818 CD GLU A 56 3.103 4.676 -11.181 1.00 0.00 C ATOM 819 OE1 GLU A 56 3.766 3.650 -10.918 1.00 0.00 O ATOM 820 OE2 GLU A 56 3.373 5.441 -12.130 1.00 0.00 O ATOM 0 H GLU A 56 -0.771 2.113 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.542 4.517 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.550 3.922 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.660 2.910 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.317 5.784 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.266 5.415 -9.356 1.00 0.00 H new ATOM 827 N ARG A 57 1.411 2.018 -12.261 1.00 0.00 N ATOM 828 CA ARG A 57 2.090 1.438 -13.413 1.00 0.00 C ATOM 829 C ARG A 57 1.108 1.185 -14.553 1.00 0.00 C ATOM 830 O ARG A 57 1.289 1.681 -15.664 1.00 0.00 O ATOM 831 CB ARG A 57 2.781 0.131 -13.021 1.00 0.00 C ATOM 832 CG ARG A 57 1.877 -0.833 -12.270 1.00 0.00 C ATOM 833 CD ARG A 57 2.683 -1.869 -11.501 1.00 0.00 C ATOM 834 NE ARG A 57 3.005 -3.032 -12.323 1.00 0.00 N ATOM 835 CZ ARG A 57 4.036 -3.079 -13.160 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.841 -2.033 -13.283 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.263 -4.174 -13.874 1.00 0.00 N ATOM 0 H ARG A 57 1.613 1.554 -11.375 1.00 0.00 H new ATOM 0 HA ARG A 57 2.842 2.149 -13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.152 -0.358 -13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.649 0.360 -12.402 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.244 -0.276 -11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.214 -1.336 -12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.605 -1.415 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.119 -2.189 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 57 2.405 -3.854 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.670 -1.190 -12.735 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.632 -2.071 -13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.646 -4.981 -13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.055 -4.209 -14.516 1.00 0.00 H new ATOM 851 N ASN A 58 0.067 0.409 -14.268 1.00 0.00 N ATOM 852 CA ASN A 58 -0.944 0.088 -15.269 1.00 0.00 C ATOM 853 C ASN A 58 -1.526 1.359 -15.880 1.00 0.00 C ATOM 854 O ASN A 58 -1.687 1.459 -17.096 1.00 0.00 O ATOM 855 CB ASN A 58 -2.062 -0.750 -14.645 1.00 0.00 C ATOM 856 CG ASN A 58 -1.777 -2.237 -14.716 1.00 0.00 C ATOM 857 OD1 ASN A 58 -1.086 -2.706 -15.620 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.311 -2.988 -13.759 1.00 0.00 N ATOM 0 H ASN A 58 -0.098 -0.009 -13.352 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.466 -0.489 -16.061 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.194 -0.457 -13.603 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.001 -0.538 -15.157 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.154 -3.996 -13.755 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.878 -2.557 -13.029 1.00 0.00 H new ATOM 865 N GLY A 59 -1.841 2.330 -15.027 1.00 0.00 N ATOM 866 CA GLY A 59 -2.401 3.581 -15.501 1.00 0.00 C ATOM 867 C GLY A 59 -3.917 3.584 -15.477 1.00 0.00 C ATOM 868 O GLY A 59 -4.558 4.000 -16.441 1.00 0.00 O ATOM 0 H GLY A 59 -1.718 2.272 -14.016 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.029 4.399 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.056 3.767 -16.518 1.00 0.00 H new ATOM 872 N GLU A 60 -4.490 3.118 -14.372 1.00 0.00 N ATOM 873 CA GLU A 60 -5.940 3.066 -14.228 1.00 0.00 C ATOM 874 C GLU A 60 -6.456 4.289 -13.476 1.00 0.00 C ATOM 875 O GLU A 60 -5.689 5.005 -12.832 1.00 0.00 O ATOM 876 CB GLU A 60 -6.357 1.790 -13.495 1.00 0.00 C ATOM 877 CG GLU A 60 -6.334 0.549 -14.372 1.00 0.00 C ATOM 878 CD GLU A 60 -7.323 0.625 -15.518 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.510 0.306 -15.298 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.911 1.005 -16.634 1.00 0.00 O ATOM 0 H GLU A 60 -3.973 2.771 -13.564 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.378 3.063 -15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.693 1.636 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.362 1.923 -13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.330 0.411 -14.773 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.557 -0.326 -13.762 1.00 0.00 H new ATOM 887 N ASP A 61 -7.761 4.523 -13.563 1.00 0.00 N ATOM 888 CA ASP A 61 -8.381 5.659 -12.890 1.00 0.00 C ATOM 889 C ASP A 61 -9.047 5.223 -11.589 1.00 0.00 C ATOM 890 O ASP A 61 -10.134 4.645 -11.599 1.00 0.00 O ATOM 891 CB ASP A 61 -9.410 6.322 -13.807 1.00 0.00 C ATOM 892 CG ASP A 61 -8.763 7.125 -14.919 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.794 6.623 -15.527 1.00 0.00 O ATOM 894 OD2 ASP A 61 -9.226 8.254 -15.181 1.00 0.00 O ATOM 0 H ASP A 61 -8.410 3.941 -14.093 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.599 6.380 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.052 5.556 -14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.051 6.976 -13.216 1.00 0.00 H new ATOM 899 N TYR A 62 -8.387 5.503 -10.470 1.00 0.00 N ATOM 900 CA TYR A 62 -8.913 5.136 -9.161 1.00 0.00 C ATOM 901 C TYR A 62 -9.925 6.169 -8.672 1.00 0.00 C ATOM 902 O TYR A 62 -9.575 7.102 -7.948 1.00 0.00 O ATOM 903 CB TYR A 62 -7.774 5.003 -8.149 1.00 0.00 C ATOM 904 CG TYR A 62 -6.827 6.182 -8.145 1.00 0.00 C ATOM 905 CD1 TYR A 62 -5.815 6.289 -9.090 1.00 0.00 C ATOM 906 CD2 TYR A 62 -6.946 7.190 -7.196 1.00 0.00 C ATOM 907 CE1 TYR A 62 -4.947 7.364 -9.090 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.083 8.269 -7.188 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.086 8.352 -8.137 1.00 0.00 C ATOM 910 OH TYR A 62 -4.224 9.425 -8.134 1.00 0.00 O ATOM 0 H TYR A 62 -7.487 5.983 -10.444 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.418 4.175 -9.257 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.197 4.884 -7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.210 4.096 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.704 5.518 -9.838 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.726 7.129 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.165 7.431 -9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.189 9.043 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.729 10.250 -7.976 1.00 0.00 H new ATOM 920 N ILE A 63 -11.179 5.994 -9.072 1.00 0.00 N ATOM 921 CA ILE A 63 -12.242 6.908 -8.674 1.00 0.00 C ATOM 922 C ILE A 63 -12.766 6.569 -7.282 1.00 0.00 C ATOM 923 O ILE A 63 -13.462 5.571 -7.095 1.00 0.00 O ATOM 924 CB ILE A 63 -13.414 6.878 -9.673 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.963 7.404 -11.037 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.582 7.696 -9.143 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.391 8.804 -10.986 1.00 0.00 C ATOM 0 H ILE A 63 -11.484 5.227 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.810 7.909 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.744 5.846 -9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.213 6.728 -11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.812 7.392 -11.721 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.403 7.665 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.915 7.281 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.266 8.729 -8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.092 9.112 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.146 9.492 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.522 8.818 -10.328 1.00 0.00 H new ATOM 939 N CYS A 64 -12.429 7.408 -6.309 1.00 0.00 N ATOM 940 CA CYS A 64 -12.866 7.200 -4.934 1.00 0.00 C ATOM 941 C CYS A 64 -14.319 6.735 -4.889 1.00 0.00 C ATOM 942 O CYS A 64 -15.092 6.943 -5.824 1.00 0.00 O ATOM 943 CB CYS A 64 -12.706 8.488 -4.125 1.00 0.00 C ATOM 944 SG CYS A 64 -14.212 9.510 -4.047 1.00 0.00 S ATOM 0 H CYS A 64 -11.854 8.239 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.241 6.423 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.401 8.231 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.901 9.080 -4.560 1.00 0.00 H new ATOM 949 N PRO A 65 -14.700 6.092 -3.776 1.00 0.00 N ATOM 950 CA PRO A 65 -16.062 5.585 -3.582 1.00 0.00 C ATOM 951 C PRO A 65 -17.078 6.708 -3.398 1.00 0.00 C ATOM 952 O PRO A 65 -18.096 6.755 -4.086 1.00 0.00 O ATOM 953 CB PRO A 65 -15.951 4.750 -2.304 1.00 0.00 C ATOM 954 CG PRO A 65 -14.795 5.335 -1.568 1.00 0.00 C ATOM 955 CD PRO A 65 -13.832 5.809 -2.621 1.00 0.00 C ATOM 0 HA PRO A 65 -16.414 5.022 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.866 4.806 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.783 3.697 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.115 6.160 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.330 4.593 -0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.290 6.698 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.087 5.049 -2.855 1.00 0.00 H new ATOM 963 N ASN A 66 -16.792 7.610 -2.465 1.00 0.00 N ATOM 964 CA ASN A 66 -17.681 8.734 -2.190 1.00 0.00 C ATOM 965 C ASN A 66 -18.232 9.321 -3.486 1.00 0.00 C ATOM 966 O ASN A 66 -19.338 9.862 -3.516 1.00 0.00 O ATOM 967 CB ASN A 66 -16.942 9.816 -1.401 1.00 0.00 C ATOM 968 CG ASN A 66 -17.879 10.875 -0.855 1.00 0.00 C ATOM 969 OD1 ASN A 66 -18.894 10.561 -0.232 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.543 12.139 -1.086 1.00 0.00 N ATOM 0 H ASN A 66 -15.952 7.585 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.516 8.366 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.400 9.354 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.200 10.288 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.135 12.895 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.693 12.354 -1.607 1.00 0.00 H new ATOM 977 N CYS A 67 -17.453 9.210 -4.557 1.00 0.00 N ATOM 978 CA CYS A 67 -17.861 9.729 -5.857 1.00 0.00 C ATOM 979 C CYS A 67 -18.872 8.798 -6.521 1.00 0.00 C ATOM 980 O CYS A 67 -20.057 9.119 -6.621 1.00 0.00 O ATOM 981 CB CYS A 67 -16.642 9.906 -6.765 1.00 0.00 C ATOM 982 SG CYS A 67 -15.762 11.483 -6.528 1.00 0.00 S ATOM 0 H CYS A 67 -16.535 8.765 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 67 -18.333 10.699 -5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.948 9.085 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.963 9.834 -7.804 1.00 0.00 H new ATOM 987 N THR A 68 -18.396 7.643 -6.975 1.00 0.00 N ATOM 988 CA THR A 68 -19.257 6.666 -7.630 1.00 0.00 C ATOM 989 C THR A 68 -20.516 6.406 -6.811 1.00 0.00 C ATOM 990 O THR A 68 -21.622 6.364 -7.352 1.00 0.00 O ATOM 991 CB THR A 68 -18.521 5.332 -7.857 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.237 5.574 -8.443 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.331 4.414 -8.759 1.00 0.00 C ATOM 0 H THR A 68 -17.419 7.361 -6.901 1.00 0.00 H new ATOM 0 HA THR A 68 -19.536 7.088 -8.596 1.00 0.00 H new ATOM 0 HB THR A 68 -18.392 4.844 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.775 4.721 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 68 -18.791 3.478 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.296 4.208 -8.296 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.487 4.897 -9.724 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.342 6.233 -5.505 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.465 5.978 -4.612 1.00 0.00 C ATOM 1003 C ILE A 69 -22.672 6.831 -4.990 1.00 0.00 C ATOM 1004 O ILE A 69 -23.815 6.378 -4.914 1.00 0.00 O ATOM 1005 CB ILE A 69 -21.093 6.259 -3.144 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.163 5.165 -2.614 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.347 6.357 -2.289 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.693 5.407 -1.197 1.00 0.00 C ATOM 0 H ILE A 69 -19.434 6.265 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.719 4.923 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.568 7.213 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.680 4.207 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.295 5.089 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -22.067 6.556 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.976 7.168 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.898 5.418 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.038 4.593 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -19.147 6.349 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.554 5.453 -0.531 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.410 8.067 -5.400 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.475 8.984 -5.793 1.00 0.00 C ATOM 1022 C LEU A 70 -23.938 8.702 -7.218 1.00 0.00 C ATOM 1023 O LEU A 70 -25.132 8.540 -7.473 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.996 10.432 -5.678 1.00 0.00 C ATOM 1025 CG LEU A 70 -22.652 10.916 -4.268 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.649 12.057 -4.325 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.911 11.346 -3.530 1.00 0.00 C ATOM 0 H LEU A 70 -21.470 8.457 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.319 8.832 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -22.114 10.553 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.770 11.083 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 70 -22.199 10.089 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -21.417 12.388 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.737 11.715 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -22.074 12.887 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -23.647 11.687 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -24.393 12.158 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -24.596 10.501 -3.457 1.00 0.00 H new ATOM 1039 N SER A 71 -22.986 8.642 -8.144 1.00 0.00 N ATOM 1040 CA SER A 71 -23.297 8.381 -9.544 1.00 0.00 C ATOM 1041 C SER A 71 -22.955 6.941 -9.917 1.00 0.00 C ATOM 1042 O SER A 71 -21.788 6.594 -10.090 1.00 0.00 O ATOM 1043 CB SER A 71 -22.531 9.349 -10.448 1.00 0.00 C ATOM 1044 OG SER A 71 -23.017 9.298 -11.778 1.00 0.00 O ATOM 0 H SER A 71 -21.993 8.771 -7.949 1.00 0.00 H new ATOM 0 HA SER A 71 -24.367 8.531 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.625 10.364 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.470 9.101 -10.436 1.00 0.00 H new ATOM 0 HG SER A 71 -22.512 9.927 -12.335 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.984 6.108 -10.040 1.00 0.00 N ATOM 1051 CA GLY A 72 -23.773 4.716 -10.391 1.00 0.00 C ATOM 1052 C GLY A 72 -22.887 4.553 -11.610 1.00 0.00 C ATOM 1053 O GLY A 72 -22.888 5.383 -12.520 1.00 0.00 O ATOM 0 H GLY A 72 -24.960 6.372 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.322 4.196 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.736 4.242 -10.580 1.00 0.00 H new ATOM 1057 N PRO A 73 -22.107 3.463 -11.638 1.00 0.00 N ATOM 1058 CA PRO A 73 -21.196 3.169 -12.749 1.00 0.00 C ATOM 1059 C PRO A 73 -21.941 2.789 -14.024 1.00 0.00 C ATOM 1060 O PRO A 73 -23.008 2.177 -13.973 1.00 0.00 O ATOM 1061 CB PRO A 73 -20.379 1.982 -12.233 1.00 0.00 C ATOM 1062 CG PRO A 73 -21.258 1.326 -11.225 1.00 0.00 C ATOM 1063 CD PRO A 73 -22.054 2.432 -10.588 1.00 0.00 C ATOM 0 HA PRO A 73 -20.591 4.034 -13.020 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.123 1.297 -13.041 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.441 2.312 -11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.914 0.594 -11.696 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.667 0.792 -10.481 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -23.051 2.097 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.573 2.804 -9.684 1.00 0.00 H new ATOM 1071 N SER A 74 -21.371 3.156 -15.168 1.00 0.00 N ATOM 1072 CA SER A 74 -21.984 2.856 -16.457 1.00 0.00 C ATOM 1073 C SER A 74 -21.736 1.403 -16.851 1.00 0.00 C ATOM 1074 O SER A 74 -22.022 0.997 -17.978 1.00 0.00 O ATOM 1075 CB SER A 74 -21.433 3.790 -17.537 1.00 0.00 C ATOM 1076 OG SER A 74 -20.017 3.747 -17.574 1.00 0.00 O ATOM 0 H SER A 74 -20.487 3.661 -15.228 1.00 0.00 H new ATOM 0 HA SER A 74 -23.059 3.011 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 74 -21.834 3.504 -18.509 1.00 0.00 H new ATOM 0 HB3 SER A 74 -21.764 4.810 -17.343 1.00 0.00 H new ATOM 0 HG SER A 74 -19.690 4.351 -18.273 1.00 0.00 H new ATOM 1082 N SER A 75 -21.203 0.625 -15.915 1.00 0.00 N ATOM 1083 CA SER A 75 -20.913 -0.782 -16.164 1.00 0.00 C ATOM 1084 C SER A 75 -20.499 -1.488 -14.877 1.00 0.00 C ATOM 1085 O SER A 75 -20.122 -0.846 -13.897 1.00 0.00 O ATOM 1086 CB SER A 75 -19.806 -0.919 -17.212 1.00 0.00 C ATOM 1087 OG SER A 75 -19.954 -2.115 -17.957 1.00 0.00 O ATOM 0 H SER A 75 -20.963 0.945 -14.977 1.00 0.00 H new ATOM 0 HA SER A 75 -21.821 -1.253 -16.540 1.00 0.00 H new ATOM 0 HB2 SER A 75 -19.830 -0.062 -17.885 1.00 0.00 H new ATOM 0 HB3 SER A 75 -18.833 -0.911 -16.721 1.00 0.00 H new ATOM 0 HG SER A 75 -19.236 -2.178 -18.621 1.00 0.00 H new ATOM 1093 N GLY A 76 -20.574 -2.815 -14.887 1.00 0.00 N ATOM 1094 CA GLY A 76 -20.205 -3.588 -13.715 1.00 0.00 C ATOM 1095 C GLY A 76 -19.521 -4.893 -14.072 1.00 0.00 C ATOM 1096 O GLY A 76 -19.833 -5.918 -13.468 1.00 0.00 O ATOM 0 H GLY A 76 -20.884 -3.369 -15.686 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.542 -2.994 -13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.098 -3.799 -13.127 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.135 9.401 5.897 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.727 11.327 -5.413 1.00 0.00 ZN