USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 477 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 67 THR OG1 : rot -47:sc= 0.341 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= 0.32 F(o=-0.041,f=0.66) USER MOD Single : A 28 CYS SG : rot 21:sc= 0.314 USER MOD Single : A 34 HIS : no HD1:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 35 THR OG1 : rot -177:sc= 0.444 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0162 (180deg=-0.254) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 63 MET CE :methyl -136:sc= 0 (180deg=-0.153) USER MOD Single : A 65 MET CE :methyl -178:sc= -1.22 (180deg=-1.23) USER MOD Single : A 69 MET CE :methyl -168:sc= -0.502 (180deg=-0.827) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.57 F(o=-1.6,f=-0.57) USER MOD Single : A 72 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.7!) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.0628 (180deg=-0.498) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.521 3.316 0.277 1.00 0.00 N ATOM 42 CA CYS A 28 12.935 3.342 0.628 1.00 0.00 C ATOM 43 C CYS A 28 13.105 3.376 2.142 1.00 0.00 C ATOM 44 O CYS A 28 12.332 4.020 2.850 1.00 0.00 O ATOM 45 CB CYS A 28 13.602 4.571 0.008 1.00 0.00 C ATOM 46 SG CYS A 28 12.818 6.070 0.651 1.00 0.00 S ATOM 0 HA CYS A 28 13.407 2.439 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.667 4.576 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.513 4.538 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 28 12.210 5.797 1.767 1.00 0.00 H new ATOM 52 N GLY A 29 14.118 2.672 2.630 1.00 0.00 N ATOM 53 CA GLY A 29 14.380 2.613 4.063 1.00 0.00 C ATOM 54 C GLY A 29 15.616 1.771 4.361 1.00 0.00 C ATOM 55 O GLY A 29 16.573 1.751 3.585 1.00 0.00 O ATOM 0 H GLY A 29 14.770 2.136 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.521 3.621 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.516 2.191 4.577 1.00 0.00 H new ATOM 59 N ARG A 30 15.593 1.081 5.497 1.00 0.00 N ATOM 60 CA ARG A 30 16.727 0.247 5.892 1.00 0.00 C ATOM 61 C ARG A 30 16.291 -1.202 6.062 1.00 0.00 C ATOM 62 O ARG A 30 15.194 -1.476 6.551 1.00 0.00 O ATOM 63 CB ARG A 30 17.313 0.763 7.210 1.00 0.00 C ATOM 64 CG ARG A 30 17.816 2.196 7.028 1.00 0.00 C ATOM 65 CD ARG A 30 19.326 2.182 6.810 1.00 0.00 C ATOM 66 NE ARG A 30 20.010 1.777 8.032 1.00 0.00 N ATOM 67 CZ ARG A 30 21.341 1.797 8.121 1.00 0.00 C ATOM 68 NH1 ARG A 30 22.072 2.186 7.106 1.00 0.00 N ATOM 69 NH2 ARG A 30 21.922 1.426 9.232 1.00 0.00 N ATOM 0 H ARG A 30 14.813 1.081 6.154 1.00 0.00 H new ATOM 0 HA ARG A 30 17.484 0.296 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.555 0.731 7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.131 0.119 7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.319 2.662 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.570 2.793 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.577 1.497 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.666 3.172 6.506 1.00 0.00 H new ATOM 0 HE ARG A 30 19.460 1.472 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.624 2.477 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.089 2.198 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.358 1.123 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.939 1.440 9.305 1.00 0.00 H new ATOM 83 N ALA A 31 17.154 -2.127 5.656 1.00 0.00 N ATOM 84 CA ALA A 31 16.844 -3.546 5.769 1.00 0.00 C ATOM 85 C ALA A 31 17.784 -4.222 6.765 1.00 0.00 C ATOM 86 O ALA A 31 19.001 -4.105 6.655 1.00 0.00 O ATOM 87 CB ALA A 31 16.983 -4.217 4.402 1.00 0.00 C ATOM 0 H ALA A 31 18.066 -1.921 5.249 1.00 0.00 H new ATOM 0 HA ALA A 31 15.819 -3.649 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.750 -5.278 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.293 -3.753 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.005 -4.099 4.041 1.00 0.00 H new ATOM 93 N ARG A 32 17.209 -4.931 7.729 1.00 0.00 N ATOM 94 CA ARG A 32 17.996 -5.627 8.737 1.00 0.00 C ATOM 95 C ARG A 32 18.007 -7.125 8.463 1.00 0.00 C ATOM 96 O ARG A 32 16.957 -7.744 8.289 1.00 0.00 O ATOM 97 CB ARG A 32 17.412 -5.365 10.127 1.00 0.00 C ATOM 98 CG ARG A 32 18.083 -4.134 10.736 1.00 0.00 C ATOM 99 CD ARG A 32 17.463 -3.832 12.094 1.00 0.00 C ATOM 100 NE ARG A 32 18.242 -4.445 13.162 1.00 0.00 N ATOM 101 CZ ARG A 32 17.914 -4.272 14.444 1.00 0.00 C ATOM 102 NH1 ARG A 32 16.872 -3.547 14.775 1.00 0.00 N ATOM 103 NH2 ARG A 32 18.639 -4.824 15.379 1.00 0.00 N ATOM 0 H ARG A 32 16.200 -5.039 7.833 1.00 0.00 H new ATOM 0 HA ARG A 32 19.019 -5.253 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.335 -5.209 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.568 -6.232 10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.154 -4.307 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.965 -3.277 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.414 -2.754 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.439 -4.205 12.123 1.00 0.00 H new ATOM 0 HE ARG A 32 19.053 -5.017 12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.304 -3.109 14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.630 -3.421 15.758 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.453 -5.385 15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.391 -4.694 16.360 1.00 0.00 H new ATOM 117 N VAL A 33 19.202 -7.704 8.425 1.00 0.00 N ATOM 118 CA VAL A 33 19.339 -9.129 8.170 1.00 0.00 C ATOM 119 C VAL A 33 19.216 -9.914 9.471 1.00 0.00 C ATOM 120 O VAL A 33 19.853 -9.583 10.472 1.00 0.00 O ATOM 121 CB VAL A 33 20.696 -9.415 7.523 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.824 -10.911 7.245 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.804 -8.642 6.210 1.00 0.00 C ATOM 0 H VAL A 33 20.083 -7.210 8.567 1.00 0.00 H new ATOM 0 HA VAL A 33 18.543 -9.440 7.493 1.00 0.00 H new ATOM 0 HB VAL A 33 21.494 -9.103 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.791 -11.114 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.745 -11.463 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.027 -11.225 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.770 -8.844 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.006 -8.955 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.713 -7.574 6.408 1.00 0.00 H new ATOM 133 N HIS A 34 18.386 -10.949 9.451 1.00 0.00 N ATOM 134 CA HIS A 34 18.186 -11.778 10.636 1.00 0.00 C ATOM 135 C HIS A 34 18.758 -13.180 10.428 1.00 0.00 C ATOM 136 O HIS A 34 18.870 -13.957 11.378 1.00 0.00 O ATOM 137 CB HIS A 34 16.694 -11.881 10.947 1.00 0.00 C ATOM 138 CG HIS A 34 16.156 -10.517 11.280 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.796 -10.254 11.349 1.00 0.00 N ATOM 140 CD2 HIS A 34 16.782 -9.329 11.567 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.651 -8.954 11.664 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.831 -8.344 11.808 1.00 0.00 N ATOM 0 H HIS A 34 17.844 -11.234 8.635 1.00 0.00 H new ATOM 0 HA HIS A 34 18.708 -11.310 11.471 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.161 -12.295 10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.532 -12.562 11.783 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.851 -9.182 11.600 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.697 -8.463 11.786 1.00 0.00 H new ATOM 0 HE2 HIS A 34 15.998 -7.366 12.044 1.00 0.00 H new ATOM 150 N THR A 35 19.110 -13.507 9.184 1.00 0.00 N ATOM 151 CA THR A 35 19.653 -14.822 8.878 1.00 0.00 C ATOM 152 C THR A 35 21.004 -14.691 8.180 1.00 0.00 C ATOM 153 O THR A 35 21.451 -13.593 7.862 1.00 0.00 O ATOM 154 CB THR A 35 18.684 -15.581 7.971 1.00 0.00 C ATOM 155 OG1 THR A 35 18.870 -15.161 6.633 1.00 0.00 O ATOM 156 CG2 THR A 35 17.246 -15.286 8.396 1.00 0.00 C ATOM 0 H THR A 35 19.028 -12.883 8.382 1.00 0.00 H new ATOM 0 HA THR A 35 19.788 -15.369 9.811 1.00 0.00 H new ATOM 0 HB THR A 35 18.875 -16.651 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.216 -15.608 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.557 -15.828 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.099 -15.603 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 35 17.055 -14.216 8.315 1.00 0.00 H new ATOM 164 N ASP A 36 21.650 -15.818 7.948 1.00 0.00 N ATOM 165 CA ASP A 36 22.952 -15.812 7.285 1.00 0.00 C ATOM 166 C ASP A 36 22.816 -16.247 5.831 1.00 0.00 C ATOM 167 O ASP A 36 22.515 -17.408 5.548 1.00 0.00 O ATOM 168 CB ASP A 36 23.913 -16.752 8.017 1.00 0.00 C ATOM 169 CG ASP A 36 23.193 -18.041 8.397 1.00 0.00 C ATOM 170 OD1 ASP A 36 22.355 -17.991 9.283 1.00 0.00 O ATOM 171 OD2 ASP A 36 23.487 -19.060 7.794 1.00 0.00 O ATOM 0 H ASP A 36 21.304 -16.743 8.203 1.00 0.00 H new ATOM 0 HA ASP A 36 23.348 -14.797 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.769 -16.978 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.300 -16.265 8.912 1.00 0.00 H new ATOM 176 N PHE A 37 23.046 -15.313 4.908 1.00 0.00 N ATOM 177 CA PHE A 37 22.952 -15.622 3.486 1.00 0.00 C ATOM 178 C PHE A 37 24.294 -15.385 2.805 1.00 0.00 C ATOM 179 O PHE A 37 24.812 -14.266 2.794 1.00 0.00 O ATOM 180 CB PHE A 37 21.874 -14.755 2.837 1.00 0.00 C ATOM 181 CG PHE A 37 21.865 -14.983 1.348 1.00 0.00 C ATOM 182 CD1 PHE A 37 22.087 -16.267 0.839 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.632 -13.910 0.474 1.00 0.00 C ATOM 184 CE1 PHE A 37 22.079 -16.483 -0.543 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.624 -14.127 -0.909 1.00 0.00 C ATOM 186 CZ PHE A 37 21.847 -15.414 -1.417 1.00 0.00 C ATOM 0 H PHE A 37 23.296 -14.347 5.119 1.00 0.00 H new ATOM 0 HA PHE A 37 22.683 -16.672 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.898 -14.997 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.062 -13.703 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.265 -17.092 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.459 -12.919 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.252 -17.474 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.446 -13.303 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.840 -15.581 -2.484 1.00 0.00 H new ATOM 196 N THR A 38 24.854 -16.447 2.237 1.00 0.00 N ATOM 197 CA THR A 38 26.134 -16.358 1.557 1.00 0.00 C ATOM 198 C THR A 38 26.073 -17.077 0.193 1.00 0.00 C ATOM 199 O THR A 38 26.253 -18.293 0.107 1.00 0.00 O ATOM 200 CB THR A 38 27.235 -16.965 2.423 1.00 0.00 C ATOM 201 OG1 THR A 38 28.455 -16.960 1.689 1.00 0.00 O ATOM 202 CG2 THR A 38 26.879 -18.397 2.844 1.00 0.00 C ATOM 0 H THR A 38 24.439 -17.379 2.236 1.00 0.00 H new ATOM 0 HA THR A 38 26.361 -15.306 1.385 1.00 0.00 H new ATOM 0 HB THR A 38 27.343 -16.369 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 38 29.169 -17.347 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.680 -18.805 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.951 -18.388 3.415 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.752 -19.016 1.956 1.00 0.00 H new ATOM 210 N PRO A 39 25.816 -16.367 -0.867 1.00 0.00 N ATOM 211 CA PRO A 39 25.724 -16.970 -2.226 1.00 0.00 C ATOM 212 C PRO A 39 27.074 -17.471 -2.730 1.00 0.00 C ATOM 213 O PRO A 39 28.126 -16.978 -2.318 1.00 0.00 O ATOM 214 CB PRO A 39 25.204 -15.822 -3.094 1.00 0.00 C ATOM 215 CG PRO A 39 25.581 -14.576 -2.369 1.00 0.00 C ATOM 216 CD PRO A 39 25.572 -14.920 -0.894 1.00 0.00 C ATOM 0 HA PRO A 39 25.079 -17.849 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 39 25.650 -15.848 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 39 24.124 -15.888 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 39 26.566 -14.228 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 39 24.876 -13.773 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.344 -14.375 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 39 24.618 -14.667 -0.431 1.00 0.00 H new ATOM 224 N SER A 40 27.033 -18.462 -3.616 1.00 0.00 N ATOM 225 CA SER A 40 28.254 -19.030 -4.162 1.00 0.00 C ATOM 226 C SER A 40 28.994 -17.996 -5.009 1.00 0.00 C ATOM 227 O SER A 40 28.386 -17.066 -5.539 1.00 0.00 O ATOM 228 CB SER A 40 27.930 -20.250 -5.025 1.00 0.00 C ATOM 229 OG SER A 40 27.503 -21.314 -4.188 1.00 0.00 O ATOM 0 H SER A 40 26.173 -18.883 -3.967 1.00 0.00 H new ATOM 0 HA SER A 40 28.890 -19.332 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.151 -20.004 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.809 -20.550 -5.596 1.00 0.00 H new ATOM 0 HG SER A 40 27.292 -22.098 -4.737 1.00 0.00 H new ATOM 235 N PRO A 41 30.289 -18.139 -5.142 1.00 0.00 N ATOM 236 CA PRO A 41 31.130 -17.198 -5.940 1.00 0.00 C ATOM 237 C PRO A 41 30.700 -17.148 -7.405 1.00 0.00 C ATOM 238 O PRO A 41 30.992 -16.185 -8.113 1.00 0.00 O ATOM 239 CB PRO A 41 32.551 -17.768 -5.800 1.00 0.00 C ATOM 240 CG PRO A 41 32.368 -19.186 -5.376 1.00 0.00 C ATOM 241 CD PRO A 41 31.098 -19.212 -4.549 1.00 0.00 C ATOM 0 HA PRO A 41 31.046 -16.171 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 41 33.094 -17.707 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.128 -17.209 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 41 32.285 -19.844 -6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 41 33.221 -19.532 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.596 -20.177 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 41 31.301 -19.027 -3.494 1.00 0.00 H new ATOM 249 N TYR A 42 30.003 -18.187 -7.848 1.00 0.00 N ATOM 250 CA TYR A 42 29.535 -18.252 -9.228 1.00 0.00 C ATOM 251 C TYR A 42 28.482 -17.176 -9.480 1.00 0.00 C ATOM 252 O TYR A 42 28.273 -16.754 -10.617 1.00 0.00 O ATOM 253 CB TYR A 42 28.939 -19.632 -9.514 1.00 0.00 C ATOM 254 CG TYR A 42 30.011 -20.684 -9.370 1.00 0.00 C ATOM 255 CD1 TYR A 42 30.191 -21.331 -8.142 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.823 -21.013 -10.461 1.00 0.00 C ATOM 257 CE1 TYR A 42 31.184 -22.307 -8.004 1.00 0.00 C ATOM 258 CE2 TYR A 42 31.818 -21.988 -10.324 1.00 0.00 C ATOM 259 CZ TYR A 42 31.998 -22.638 -9.095 1.00 0.00 C ATOM 260 OH TYR A 42 32.978 -23.600 -8.960 1.00 0.00 O ATOM 0 H TYR A 42 29.750 -18.993 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 42 30.383 -18.082 -9.892 1.00 0.00 H new ATOM 0 HB2 TYR A 42 28.120 -19.836 -8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 42 28.522 -19.658 -10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.563 -21.077 -7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.682 -20.515 -11.409 1.00 0.00 H new ATOM 0 HE1 TYR A 42 31.323 -22.805 -7.056 1.00 0.00 H new ATOM 0 HE2 TYR A 42 32.447 -22.240 -11.165 1.00 0.00 H new ATOM 0 HH TYR A 42 33.450 -23.708 -9.812 1.00 0.00 H new ATOM 270 N ASP A 43 27.830 -16.731 -8.409 1.00 0.00 N ATOM 271 CA ASP A 43 26.811 -15.695 -8.523 1.00 0.00 C ATOM 272 C ASP A 43 27.390 -14.338 -8.138 1.00 0.00 C ATOM 273 O ASP A 43 27.452 -13.985 -6.960 1.00 0.00 O ATOM 274 CB ASP A 43 25.623 -16.023 -7.618 1.00 0.00 C ATOM 275 CG ASP A 43 24.797 -17.148 -8.234 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.044 -17.479 -9.382 1.00 0.00 O ATOM 277 OD2 ASP A 43 23.924 -17.657 -7.549 1.00 0.00 O ATOM 0 H ASP A 43 27.988 -17.069 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 43 26.472 -15.655 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 43 25.977 -16.319 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.003 -15.137 -7.482 1.00 0.00 H new ATOM 282 N THR A 44 27.803 -13.582 -9.143 1.00 0.00 N ATOM 283 CA THR A 44 28.372 -12.252 -8.910 1.00 0.00 C ATOM 284 C THR A 44 27.272 -11.247 -8.583 1.00 0.00 C ATOM 285 O THR A 44 27.482 -10.309 -7.811 1.00 0.00 O ATOM 286 CB THR A 44 29.157 -11.786 -10.142 1.00 0.00 C ATOM 287 OG1 THR A 44 29.506 -10.416 -9.987 1.00 0.00 O ATOM 288 CG2 THR A 44 28.312 -11.965 -11.406 1.00 0.00 C ATOM 0 H THR A 44 27.758 -13.859 -10.124 1.00 0.00 H new ATOM 0 HA THR A 44 29.051 -12.315 -8.060 1.00 0.00 H new ATOM 0 HB THR A 44 30.062 -12.386 -10.238 1.00 0.00 H new ATOM 0 HG1 THR A 44 30.009 -10.116 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 44 28.880 -11.631 -12.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 28.054 -13.017 -11.525 1.00 0.00 H new ATOM 0 HG23 THR A 44 27.400 -11.375 -11.320 1.00 0.00 H new ATOM 296 N ASP A 45 26.100 -11.448 -9.175 1.00 0.00 N ATOM 297 CA ASP A 45 24.972 -10.561 -8.938 1.00 0.00 C ATOM 298 C ASP A 45 24.494 -10.679 -7.500 1.00 0.00 C ATOM 299 O ASP A 45 24.101 -9.687 -6.884 1.00 0.00 O ATOM 300 CB ASP A 45 23.828 -10.894 -9.899 1.00 0.00 C ATOM 301 CG ASP A 45 24.187 -10.444 -11.312 1.00 0.00 C ATOM 302 OD1 ASP A 45 25.165 -9.727 -11.454 1.00 0.00 O ATOM 303 OD2 ASP A 45 23.474 -10.815 -12.229 1.00 0.00 O ATOM 0 H ASP A 45 25.909 -12.215 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 45 25.296 -9.535 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.633 -11.966 -9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 45 22.912 -10.401 -9.573 1.00 0.00 H new ATOM 308 N SER A 46 24.512 -11.902 -6.971 1.00 0.00 N ATOM 309 CA SER A 46 24.067 -12.137 -5.608 1.00 0.00 C ATOM 310 C SER A 46 25.021 -11.484 -4.609 1.00 0.00 C ATOM 311 O SER A 46 26.219 -11.761 -4.607 1.00 0.00 O ATOM 312 CB SER A 46 24.004 -13.642 -5.338 1.00 0.00 C ATOM 313 OG SER A 46 23.042 -14.240 -6.196 1.00 0.00 O ATOM 0 H SER A 46 24.828 -12.736 -7.465 1.00 0.00 H new ATOM 0 HA SER A 46 23.077 -11.698 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.983 -14.093 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.740 -13.824 -4.296 1.00 0.00 H new ATOM 0 HG SER A 46 23.004 -15.204 -6.023 1.00 0.00 H new ATOM 319 N LEU A 47 24.476 -10.617 -3.765 1.00 0.00 N ATOM 320 CA LEU A 47 25.274 -9.923 -2.765 1.00 0.00 C ATOM 321 C LEU A 47 25.425 -10.778 -1.512 1.00 0.00 C ATOM 322 O LEU A 47 24.602 -11.653 -1.245 1.00 0.00 O ATOM 323 CB LEU A 47 24.624 -8.590 -2.402 1.00 0.00 C ATOM 324 CG LEU A 47 25.678 -7.658 -1.801 1.00 0.00 C ATOM 325 CD1 LEU A 47 25.615 -6.294 -2.492 1.00 0.00 C ATOM 326 CD2 LEU A 47 25.396 -7.484 -0.310 1.00 0.00 C ATOM 0 H LEU A 47 23.484 -10.378 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 47 26.262 -9.737 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.183 -8.135 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.815 -8.749 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 47 26.670 -8.087 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.367 -5.633 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.807 -6.417 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 47 24.626 -5.859 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.143 -6.821 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.404 -7.052 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.439 -8.455 0.184 1.00 0.00 H new ATOM 338 N LYS A 48 26.479 -10.518 -0.746 1.00 0.00 N ATOM 339 CA LYS A 48 26.718 -11.268 0.480 1.00 0.00 C ATOM 340 C LYS A 48 26.222 -10.487 1.694 1.00 0.00 C ATOM 341 O LYS A 48 26.582 -9.325 1.882 1.00 0.00 O ATOM 342 CB LYS A 48 28.212 -11.554 0.629 1.00 0.00 C ATOM 343 CG LYS A 48 28.683 -12.420 -0.542 1.00 0.00 C ATOM 344 CD LYS A 48 30.198 -12.605 -0.465 1.00 0.00 C ATOM 345 CE LYS A 48 30.547 -13.506 0.722 1.00 0.00 C ATOM 346 NZ LYS A 48 32.019 -13.733 0.761 1.00 0.00 N ATOM 0 H LYS A 48 27.175 -9.801 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 48 26.170 -12.209 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.772 -10.619 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.404 -12.064 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.186 -13.390 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.411 -11.950 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.568 -13.047 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.687 -11.637 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.215 -13.044 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.024 -14.458 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.255 -14.345 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.323 -14.191 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.508 -12.821 0.864 1.00 0.00 H new ATOM 360 N ILE A 49 25.404 -11.132 2.518 1.00 0.00 N ATOM 361 CA ILE A 49 24.878 -10.483 3.714 1.00 0.00 C ATOM 362 C ILE A 49 24.893 -11.450 4.899 1.00 0.00 C ATOM 363 O ILE A 49 24.725 -12.661 4.729 1.00 0.00 O ATOM 364 CB ILE A 49 23.449 -10.003 3.453 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.546 -11.204 3.168 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.435 -9.066 2.244 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.095 -10.741 3.054 1.00 0.00 C ATOM 0 H ILE A 49 25.093 -12.094 2.383 1.00 0.00 H new ATOM 0 HA ILE A 49 25.509 -9.628 3.956 1.00 0.00 H new ATOM 0 HB ILE A 49 23.084 -9.472 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.856 -11.693 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.641 -11.940 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.416 -8.725 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.075 -8.206 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.804 -9.598 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.454 -11.599 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.788 -10.272 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.006 -10.021 2.241 1.00 0.00 H new ATOM 379 N LYS A 50 25.080 -10.910 6.097 1.00 0.00 N ATOM 380 CA LYS A 50 25.108 -11.738 7.296 1.00 0.00 C ATOM 381 C LYS A 50 24.130 -11.205 8.337 1.00 0.00 C ATOM 382 O LYS A 50 23.681 -10.061 8.249 1.00 0.00 O ATOM 383 CB LYS A 50 26.517 -11.753 7.886 1.00 0.00 C ATOM 384 CG LYS A 50 27.539 -11.716 6.754 1.00 0.00 C ATOM 385 CD LYS A 50 28.941 -11.967 7.316 1.00 0.00 C ATOM 386 CE LYS A 50 29.988 -11.672 6.239 1.00 0.00 C ATOM 387 NZ LYS A 50 29.757 -12.557 5.062 1.00 0.00 N ATOM 0 H LYS A 50 25.213 -9.913 6.264 1.00 0.00 H new ATOM 0 HA LYS A 50 24.816 -12.752 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.657 -10.896 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.660 -12.648 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.296 -12.471 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.506 -10.749 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.113 -11.335 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.030 -13.001 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.930 -10.626 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.990 -11.834 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.596 -12.544 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.581 -13.529 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.932 -12.216 4.528 1.00 0.00 H new ATOM 401 N LYS A 51 23.804 -12.036 9.321 1.00 0.00 N ATOM 402 CA LYS A 51 22.879 -11.628 10.370 1.00 0.00 C ATOM 403 C LYS A 51 23.437 -10.434 11.141 1.00 0.00 C ATOM 404 O LYS A 51 24.547 -10.487 11.670 1.00 0.00 O ATOM 405 CB LYS A 51 22.648 -12.791 11.338 1.00 0.00 C ATOM 406 CG LYS A 51 21.651 -12.372 12.420 1.00 0.00 C ATOM 407 CD LYS A 51 21.422 -13.536 13.386 1.00 0.00 C ATOM 408 CE LYS A 51 20.418 -13.118 14.461 1.00 0.00 C ATOM 409 NZ LYS A 51 20.192 -14.253 15.399 1.00 0.00 N ATOM 0 H LYS A 51 24.163 -12.986 9.414 1.00 0.00 H new ATOM 0 HA LYS A 51 21.935 -11.341 9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.269 -13.657 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.592 -13.089 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.030 -11.506 12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.707 -12.074 11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.049 -14.405 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.365 -13.829 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.792 -12.251 15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.476 -12.822 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.509 -13.969 16.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.817 -15.068 14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.092 -14.516 15.849 1.00 0.00 H new ATOM 423 N GLY A 52 22.656 -9.363 11.200 1.00 0.00 N ATOM 424 CA GLY A 52 23.072 -8.156 11.905 1.00 0.00 C ATOM 425 C GLY A 52 23.421 -7.046 10.919 1.00 0.00 C ATOM 426 O GLY A 52 23.225 -5.865 11.211 1.00 0.00 O ATOM 0 H GLY A 52 21.733 -9.305 10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.273 -7.822 12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.935 -8.376 12.533 1.00 0.00 H new ATOM 430 N ASP A 53 23.921 -7.427 9.742 1.00 0.00 N ATOM 431 CA ASP A 53 24.276 -6.445 8.728 1.00 0.00 C ATOM 432 C ASP A 53 23.026 -5.740 8.212 1.00 0.00 C ATOM 433 O ASP A 53 21.957 -6.344 8.116 1.00 0.00 O ATOM 434 CB ASP A 53 24.995 -7.134 7.569 1.00 0.00 C ATOM 435 CG ASP A 53 26.391 -7.565 8.005 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.816 -7.140 9.067 1.00 0.00 O ATOM 437 OD2 ASP A 53 27.016 -8.310 7.269 1.00 0.00 O ATOM 0 H ASP A 53 24.086 -8.397 9.474 1.00 0.00 H new ATOM 0 HA ASP A 53 24.939 -5.704 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.424 -8.002 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.064 -6.456 6.718 1.00 0.00 H new ATOM 442 N ILE A 54 23.170 -4.460 7.879 1.00 0.00 N ATOM 443 CA ILE A 54 22.048 -3.681 7.372 1.00 0.00 C ATOM 444 C ILE A 54 22.315 -3.229 5.939 1.00 0.00 C ATOM 445 O ILE A 54 23.387 -2.715 5.627 1.00 0.00 O ATOM 446 CB ILE A 54 21.795 -2.461 8.260 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.504 -2.928 9.689 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.597 -1.665 7.730 1.00 0.00 C ATOM 449 CD1 ILE A 54 21.247 -1.714 10.591 1.00 0.00 C ATOM 0 H ILE A 54 24.047 -3.944 7.951 1.00 0.00 H new ATOM 0 HA ILE A 54 21.162 -4.316 7.384 1.00 0.00 H new ATOM 0 HB ILE A 54 22.678 -1.822 8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.636 -3.588 9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.346 -3.505 10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.425 -0.799 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.803 -1.331 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.710 -2.299 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.041 -2.052 11.606 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.127 -1.071 10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.391 -1.155 10.214 1.00 0.00 H new ATOM 461 N ILE A 55 21.327 -3.428 5.073 1.00 0.00 N ATOM 462 CA ILE A 55 21.462 -3.037 3.671 1.00 0.00 C ATOM 463 C ILE A 55 20.478 -1.925 3.320 1.00 0.00 C ATOM 464 O ILE A 55 19.281 -2.033 3.593 1.00 0.00 O ATOM 465 CB ILE A 55 21.216 -4.243 2.767 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.112 -5.401 3.213 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.551 -3.872 1.321 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.250 -6.497 3.842 1.00 0.00 C ATOM 0 H ILE A 55 20.431 -3.853 5.312 1.00 0.00 H new ATOM 0 HA ILE A 55 22.475 -2.667 3.516 1.00 0.00 H new ATOM 0 HB ILE A 55 20.170 -4.542 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.661 -5.800 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.852 -5.047 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.376 -4.732 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.918 -3.044 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.598 -3.576 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.886 -7.323 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.721 -6.093 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.528 -6.857 3.109 1.00 0.00 H new ATOM 480 N ASP A 56 20.986 -0.854 2.714 1.00 0.00 N ATOM 481 CA ASP A 56 20.130 0.266 2.336 1.00 0.00 C ATOM 482 C ASP A 56 19.266 -0.115 1.148 1.00 0.00 C ATOM 483 O ASP A 56 19.787 -0.497 0.104 1.00 0.00 O ATOM 484 CB ASP A 56 20.995 1.477 1.969 1.00 0.00 C ATOM 485 CG ASP A 56 21.621 2.062 3.228 1.00 0.00 C ATOM 486 OD1 ASP A 56 21.215 1.664 4.307 1.00 0.00 O ATOM 487 OD2 ASP A 56 22.491 2.907 3.096 1.00 0.00 O ATOM 0 H ASP A 56 21.971 -0.739 2.477 1.00 0.00 H new ATOM 0 HA ASP A 56 19.487 0.518 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.775 1.180 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.388 2.232 1.469 1.00 0.00 H new ATOM 492 N ILE A 57 17.949 -0.017 1.310 1.00 0.00 N ATOM 493 CA ILE A 57 17.024 -0.368 0.238 1.00 0.00 C ATOM 494 C ILE A 57 17.130 0.621 -0.919 1.00 0.00 C ATOM 495 O ILE A 57 17.016 1.832 -0.730 1.00 0.00 O ATOM 496 CB ILE A 57 15.592 -0.365 0.773 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.426 -1.483 1.806 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.610 -0.585 -0.379 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.101 -1.298 2.553 1.00 0.00 C ATOM 0 H ILE A 57 17.501 0.301 2.169 1.00 0.00 H new ATOM 0 HA ILE A 57 17.284 -1.362 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 57 15.387 0.597 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.444 -2.454 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.258 -1.468 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.590 -0.582 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.723 0.214 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.816 -1.544 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.984 -2.094 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.101 -0.333 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.275 -1.335 1.843 1.00 0.00 H new ATOM 511 N ILE A 58 17.336 0.091 -2.121 1.00 0.00 N ATOM 512 CA ILE A 58 17.447 0.930 -3.304 1.00 0.00 C ATOM 513 C ILE A 58 16.220 0.758 -4.189 1.00 0.00 C ATOM 514 O ILE A 58 15.551 1.733 -4.534 1.00 0.00 O ATOM 515 CB ILE A 58 18.704 0.563 -4.096 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.943 0.870 -3.253 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.754 1.381 -5.388 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.178 0.267 -3.925 1.00 0.00 C ATOM 0 H ILE A 58 17.429 -0.909 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 58 17.515 1.970 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 58 18.681 -0.499 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.064 1.948 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.825 0.460 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.650 1.118 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.871 1.165 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.777 2.443 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.062 0.485 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.055 -0.813 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.299 0.698 -4.919 1.00 0.00 H new ATOM 530 N CYS A 59 15.930 -0.489 -4.552 1.00 0.00 N ATOM 531 CA CYS A 59 14.775 -0.776 -5.401 1.00 0.00 C ATOM 532 C CYS A 59 14.407 -2.253 -5.325 1.00 0.00 C ATOM 533 O CYS A 59 15.124 -3.054 -4.727 1.00 0.00 O ATOM 534 CB CYS A 59 15.071 -0.387 -6.853 1.00 0.00 C ATOM 535 SG CYS A 59 16.298 -1.517 -7.552 1.00 0.00 S ATOM 0 H CYS A 59 16.471 -1.309 -4.276 1.00 0.00 H new ATOM 0 HA CYS A 59 13.932 -0.186 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.155 -0.421 -7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.440 0.638 -6.897 1.00 0.00 H new ATOM 0 HG CYS A 59 16.543 -1.183 -8.784 1.00 0.00 H new ATOM 541 N LYS A 60 13.281 -2.612 -5.933 1.00 0.00 N ATOM 542 CA LYS A 60 12.829 -4.000 -5.922 1.00 0.00 C ATOM 543 C LYS A 60 12.713 -4.532 -7.341 1.00 0.00 C ATOM 544 O LYS A 60 12.446 -3.771 -8.275 1.00 0.00 O ATOM 545 CB LYS A 60 11.472 -4.098 -5.223 1.00 0.00 C ATOM 546 CG LYS A 60 11.608 -3.603 -3.780 1.00 0.00 C ATOM 547 CD LYS A 60 10.340 -2.856 -3.374 1.00 0.00 C ATOM 548 CE LYS A 60 9.204 -3.851 -3.132 1.00 0.00 C ATOM 549 NZ LYS A 60 8.009 -3.120 -2.623 1.00 0.00 N ATOM 0 H LYS A 60 12.669 -1.969 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 60 13.560 -4.600 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.732 -3.501 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.118 -5.129 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.776 -4.446 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.474 -2.947 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.524 -2.274 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.057 -2.151 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.959 -4.373 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.515 -4.608 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.234 -3.794 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.248 -2.642 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.709 -2.414 -3.325 1.00 0.00 H new ATOM 563 N THR A 61 12.919 -5.841 -7.499 1.00 0.00 N ATOM 564 CA THR A 61 12.832 -6.444 -8.819 1.00 0.00 C ATOM 565 C THR A 61 11.771 -7.553 -8.846 1.00 0.00 C ATOM 566 O THR A 61 11.501 -8.199 -7.831 1.00 0.00 O ATOM 567 CB THR A 61 14.188 -7.030 -9.217 1.00 0.00 C ATOM 568 OG1 THR A 61 14.571 -8.011 -8.264 1.00 0.00 O ATOM 569 CG2 THR A 61 15.236 -5.915 -9.260 1.00 0.00 C ATOM 0 H THR A 61 13.142 -6.488 -6.743 1.00 0.00 H new ATOM 0 HA THR A 61 12.545 -5.667 -9.528 1.00 0.00 H new ATOM 0 HB THR A 61 14.114 -7.489 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.722 -7.582 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.201 -6.334 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.938 -5.163 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.316 -5.453 -8.276 1.00 0.00 H new ATOM 577 N PRO A 62 11.175 -7.791 -9.988 1.00 0.00 N ATOM 578 CA PRO A 62 10.126 -8.840 -10.146 1.00 0.00 C ATOM 579 C PRO A 62 10.695 -10.249 -10.019 1.00 0.00 C ATOM 580 O PRO A 62 9.966 -11.200 -9.738 1.00 0.00 O ATOM 581 CB PRO A 62 9.573 -8.591 -11.549 1.00 0.00 C ATOM 582 CG PRO A 62 10.669 -7.904 -12.288 1.00 0.00 C ATOM 583 CD PRO A 62 11.438 -7.092 -11.254 1.00 0.00 C ATOM 0 HA PRO A 62 9.364 -8.778 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.298 -9.527 -12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.675 -7.974 -11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.321 -8.627 -12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.267 -7.258 -13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.504 -7.064 -11.481 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.092 -6.059 -11.219 1.00 0.00 H new ATOM 591 N MET A 63 12.004 -10.372 -10.221 1.00 0.00 N ATOM 592 CA MET A 63 12.661 -11.666 -10.119 1.00 0.00 C ATOM 593 C MET A 63 12.480 -12.248 -8.720 1.00 0.00 C ATOM 594 O MET A 63 12.709 -13.440 -8.504 1.00 0.00 O ATOM 595 CB MET A 63 14.153 -11.525 -10.429 1.00 0.00 C ATOM 596 CG MET A 63 14.402 -11.862 -11.901 1.00 0.00 C ATOM 597 SD MET A 63 13.920 -10.455 -12.932 1.00 0.00 S ATOM 598 CE MET A 63 15.436 -9.491 -12.724 1.00 0.00 C ATOM 0 H MET A 63 12.624 -9.597 -10.454 1.00 0.00 H new ATOM 0 HA MET A 63 12.206 -12.341 -10.844 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.485 -10.509 -10.216 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.733 -12.190 -9.789 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.455 -12.098 -12.058 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.831 -12.746 -12.184 1.00 0.00 H new ATOM 0 HE1 MET A 63 15.181 -8.446 -12.546 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.999 -9.877 -11.874 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.043 -9.568 -13.626 1.00 0.00 H new ATOM 608 N GLY A 64 12.072 -11.405 -7.767 1.00 0.00 N ATOM 609 CA GLY A 64 11.876 -11.864 -6.402 1.00 0.00 C ATOM 610 C GLY A 64 13.096 -11.560 -5.544 1.00 0.00 C ATOM 611 O GLY A 64 13.327 -12.209 -4.524 1.00 0.00 O ATOM 0 H GLY A 64 11.875 -10.416 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.997 -11.381 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.683 -12.937 -6.399 1.00 0.00 H new ATOM 615 N MET A 65 13.883 -10.577 -5.968 1.00 0.00 N ATOM 616 CA MET A 65 15.074 -10.195 -5.225 1.00 0.00 C ATOM 617 C MET A 65 15.073 -8.694 -4.939 1.00 0.00 C ATOM 618 O MET A 65 14.619 -7.889 -5.760 1.00 0.00 O ATOM 619 CB MET A 65 16.321 -10.558 -6.026 1.00 0.00 C ATOM 620 CG MET A 65 16.361 -12.065 -6.269 1.00 0.00 C ATOM 621 SD MET A 65 16.552 -12.932 -4.693 1.00 0.00 S ATOM 622 CE MET A 65 18.298 -12.537 -4.432 1.00 0.00 C ATOM 0 H MET A 65 13.718 -10.035 -6.816 1.00 0.00 H new ATOM 0 HA MET A 65 15.076 -10.733 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.320 -10.027 -6.978 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.215 -10.244 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.445 -12.388 -6.764 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.188 -12.314 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.645 -13.011 -3.514 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.884 -12.905 -5.274 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.418 -11.457 -4.350 1.00 0.00 H new ATOM 632 N TRP A 66 15.586 -8.324 -3.772 1.00 0.00 N ATOM 633 CA TRP A 66 15.648 -6.920 -3.384 1.00 0.00 C ATOM 634 C TRP A 66 17.037 -6.352 -3.657 1.00 0.00 C ATOM 635 O TRP A 66 18.044 -7.030 -3.467 1.00 0.00 O ATOM 636 CB TRP A 66 15.314 -6.765 -1.898 1.00 0.00 C ATOM 637 CG TRP A 66 13.840 -6.581 -1.726 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.889 -7.113 -2.524 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.137 -5.807 -0.711 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.646 -6.714 -2.067 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.745 -5.910 -0.946 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.568 -5.032 0.381 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.815 -5.266 -0.123 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.635 -4.385 1.206 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.262 -4.502 0.953 1.00 0.00 C ATOM 0 H TRP A 66 15.963 -8.972 -3.081 1.00 0.00 H new ATOM 0 HA TRP A 66 14.917 -6.369 -3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.646 -7.645 -1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.847 -5.910 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.070 -7.747 -3.380 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.764 -6.980 -2.504 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.624 -4.934 0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.757 -5.360 -0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.978 -3.793 2.042 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.550 -4.000 1.592 1.00 0.00 H new ATOM 656 N THR A 67 17.078 -5.097 -4.098 1.00 0.00 N ATOM 657 CA THR A 67 18.345 -4.441 -4.392 1.00 0.00 C ATOM 658 C THR A 67 18.667 -3.430 -3.306 1.00 0.00 C ATOM 659 O THR A 67 17.815 -2.618 -2.926 1.00 0.00 O ATOM 660 CB THR A 67 18.275 -3.742 -5.748 1.00 0.00 C ATOM 661 OG1 THR A 67 18.053 -4.708 -6.767 1.00 0.00 O ATOM 662 CG2 THR A 67 19.585 -2.998 -6.012 1.00 0.00 C ATOM 0 H THR A 67 16.253 -4.519 -4.258 1.00 0.00 H new ATOM 0 HA THR A 67 19.132 -5.194 -4.425 1.00 0.00 H new ATOM 0 HB THR A 67 17.454 -3.026 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.661 -5.466 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.532 -2.500 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.745 -2.255 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.412 -3.708 -6.014 1.00 0.00 H new ATOM 670 N GLY A 68 19.905 -3.480 -2.812 1.00 0.00 N ATOM 671 CA GLY A 68 20.329 -2.560 -1.763 1.00 0.00 C ATOM 672 C GLY A 68 21.827 -2.301 -1.836 1.00 0.00 C ATOM 673 O GLY A 68 22.513 -2.831 -2.703 1.00 0.00 O ATOM 0 H GLY A 68 20.621 -4.139 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.789 -1.618 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.075 -2.974 -0.787 1.00 0.00 H new ATOM 677 N MET A 69 22.322 -1.474 -0.919 1.00 0.00 N ATOM 678 CA MET A 69 23.743 -1.138 -0.881 1.00 0.00 C ATOM 679 C MET A 69 24.387 -1.643 0.407 1.00 0.00 C ATOM 680 O MET A 69 23.779 -1.605 1.477 1.00 0.00 O ATOM 681 CB MET A 69 23.932 0.377 -0.977 1.00 0.00 C ATOM 682 CG MET A 69 25.425 0.710 -0.967 1.00 0.00 C ATOM 683 SD MET A 69 25.642 2.503 -1.093 1.00 0.00 S ATOM 684 CE MET A 69 25.174 2.667 -2.834 1.00 0.00 C ATOM 0 H MET A 69 21.762 -1.025 -0.194 1.00 0.00 H new ATOM 0 HA MET A 69 24.224 -1.621 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.471 0.754 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.434 0.869 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 69 25.885 0.340 -0.051 1.00 0.00 H new ATOM 0 HG3 MET A 69 25.925 0.213 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.438 3.663 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 69 25.702 1.919 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 69 24.099 2.518 -2.937 1.00 0.00 H new ATOM 694 N LEU A 70 25.620 -2.122 0.292 1.00 0.00 N ATOM 695 CA LEU A 70 26.345 -2.637 1.445 1.00 0.00 C ATOM 696 C LEU A 70 27.830 -2.291 1.353 1.00 0.00 C ATOM 697 O LEU A 70 28.561 -2.862 0.556 1.00 0.00 O ATOM 698 CB LEU A 70 26.173 -4.156 1.536 1.00 0.00 C ATOM 699 CG LEU A 70 25.554 -4.515 2.888 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.191 -6.001 2.903 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.560 -4.238 4.007 1.00 0.00 C ATOM 0 H LEU A 70 26.137 -2.164 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 70 25.936 -2.171 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.536 -4.510 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.138 -4.650 1.422 1.00 0.00 H new ATOM 0 HG LEU A 70 24.659 -3.912 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.750 -6.258 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.474 -6.208 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.090 -6.597 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.115 -4.495 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.455 -4.840 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.828 -3.181 4.002 1.00 0.00 H new ATOM 713 N ASN A 71 28.273 -1.361 2.187 1.00 0.00 N ATOM 714 CA ASN A 71 29.678 -0.962 2.191 1.00 0.00 C ATOM 715 C ASN A 71 30.117 -0.557 0.787 1.00 0.00 C ATOM 716 O ASN A 71 31.096 -1.084 0.258 1.00 0.00 O ATOM 717 CB ASN A 71 30.550 -2.121 2.673 1.00 0.00 C ATOM 718 CG ASN A 71 29.975 -2.701 3.958 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.593 -3.947 3.973 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 29.853 -1.998 4.964 1.00 0.00 N flip ATOM 0 H ASN A 71 27.689 -0.871 2.864 1.00 0.00 H new ATOM 0 HA ASN A 71 29.793 -0.113 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.601 -2.893 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.569 -1.774 2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.154 -1.024 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.451 -2.391 5.815 1.00 0.00 H new ATOM 727 N ASN A 72 29.384 0.375 0.181 1.00 0.00 N ATOM 728 CA ASN A 72 29.704 0.833 -1.163 1.00 0.00 C ATOM 729 C ASN A 72 29.624 -0.319 -2.156 1.00 0.00 C ATOM 730 O ASN A 72 30.332 -0.331 -3.164 1.00 0.00 O ATOM 731 CB ASN A 72 31.109 1.437 -1.189 1.00 0.00 C ATOM 732 CG ASN A 72 31.262 2.358 -2.395 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.307 3.029 -2.789 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.412 2.434 -3.007 1.00 0.00 N ATOM 0 H ASN A 72 28.569 0.824 0.599 1.00 0.00 H new ATOM 0 HA ASN A 72 28.977 1.593 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.290 1.995 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.854 0.642 -1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.521 3.050 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.202 1.878 -2.679 1.00 0.00 H new ATOM 741 N LYS A 73 28.744 -1.277 -1.880 1.00 0.00 N ATOM 742 CA LYS A 73 28.576 -2.419 -2.772 1.00 0.00 C ATOM 743 C LYS A 73 27.095 -2.739 -2.938 1.00 0.00 C ATOM 744 O LYS A 73 26.437 -3.175 -1.997 1.00 0.00 O ATOM 745 CB LYS A 73 29.308 -3.640 -2.202 1.00 0.00 C ATOM 746 CG LYS A 73 29.340 -4.749 -3.248 1.00 0.00 C ATOM 747 CD LYS A 73 30.087 -5.957 -2.683 1.00 0.00 C ATOM 748 CE LYS A 73 30.230 -7.021 -3.772 1.00 0.00 C ATOM 749 NZ LYS A 73 28.876 -7.449 -4.228 1.00 0.00 N ATOM 0 H LYS A 73 28.143 -1.286 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 73 28.998 -2.170 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.324 -3.367 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.805 -3.990 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.325 -5.032 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.831 -4.395 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.071 -5.655 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.547 -6.365 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.800 -6.623 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 73 30.784 -7.878 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.951 -8.351 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.254 -7.571 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.477 -6.725 -4.858 1.00 0.00 H new ATOM 763 N VAL A 74 26.576 -2.534 -4.142 1.00 0.00 N ATOM 764 CA VAL A 74 25.169 -2.805 -4.407 1.00 0.00 C ATOM 765 C VAL A 74 25.001 -4.159 -5.082 1.00 0.00 C ATOM 766 O VAL A 74 25.833 -4.569 -5.891 1.00 0.00 O ATOM 767 CB VAL A 74 24.586 -1.711 -5.303 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.619 -0.371 -4.566 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.419 -1.604 -6.584 1.00 0.00 C ATOM 0 H VAL A 74 27.102 -2.185 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 74 24.637 -2.818 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 74 23.556 -1.962 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.203 0.407 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.028 -0.443 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 74 25.649 -0.120 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.005 -0.825 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 74 26.449 -1.354 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.397 -2.557 -7.113 1.00 0.00 H new ATOM 779 N GLY A 75 23.920 -4.857 -4.744 1.00 0.00 N ATOM 780 CA GLY A 75 23.659 -6.164 -5.322 1.00 0.00 C ATOM 781 C GLY A 75 22.252 -6.641 -4.963 1.00 0.00 C ATOM 782 O GLY A 75 21.449 -5.891 -4.391 1.00 0.00 O ATOM 0 H GLY A 75 23.217 -4.539 -4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.767 -6.116 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.395 -6.881 -4.960 1.00 0.00 H new ATOM 786 N ASN A 76 21.961 -7.885 -5.320 1.00 0.00 N ATOM 787 CA ASN A 76 20.646 -8.466 -5.053 1.00 0.00 C ATOM 788 C ASN A 76 20.706 -9.424 -3.865 1.00 0.00 C ATOM 789 O ASN A 76 21.719 -10.075 -3.629 1.00 0.00 O ATOM 790 CB ASN A 76 20.135 -9.212 -6.285 1.00 0.00 C ATOM 791 CG ASN A 76 20.033 -8.258 -7.470 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.129 -7.318 -7.463 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 20.788 -8.382 -8.435 1.00 0.00 N flip ATOM 0 H ASN A 76 22.613 -8.511 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 76 19.961 -7.652 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.808 -10.034 -6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.159 -9.650 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 76 21.494 -9.118 -8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.707 -7.749 -9.231 1.00 0.00 H new ATOM 800 N PHE A 77 19.607 -9.503 -3.127 1.00 0.00 N ATOM 801 CA PHE A 77 19.539 -10.384 -1.964 1.00 0.00 C ATOM 802 C PHE A 77 18.100 -10.810 -1.693 1.00 0.00 C ATOM 803 O PHE A 77 17.154 -10.172 -2.155 1.00 0.00 O ATOM 804 CB PHE A 77 20.120 -9.681 -0.732 1.00 0.00 C ATOM 805 CG PHE A 77 19.367 -8.403 -0.488 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.210 -8.414 0.294 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.829 -7.204 -1.041 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.511 -7.223 0.519 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.130 -6.013 -0.814 1.00 0.00 C ATOM 810 CZ PHE A 77 17.973 -6.022 -0.032 1.00 0.00 C ATOM 0 H PHE A 77 18.755 -8.973 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 77 20.129 -11.276 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.048 -10.331 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.178 -9.469 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.856 -9.339 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.725 -7.197 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.613 -7.230 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.485 -5.088 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.435 -5.103 0.148 1.00 0.00 H new ATOM 820 N LYS A 78 17.940 -11.901 -0.951 1.00 0.00 N ATOM 821 CA LYS A 78 16.614 -12.400 -0.642 1.00 0.00 C ATOM 822 C LYS A 78 15.992 -11.597 0.502 1.00 0.00 C ATOM 823 O LYS A 78 16.551 -11.498 1.596 1.00 0.00 O ATOM 824 CB LYS A 78 16.701 -13.873 -0.247 1.00 0.00 C ATOM 825 CG LYS A 78 17.285 -14.685 -1.401 1.00 0.00 C ATOM 826 CD LYS A 78 17.394 -16.157 -0.989 1.00 0.00 C ATOM 827 CE LYS A 78 18.000 -16.963 -2.137 1.00 0.00 C ATOM 828 NZ LYS A 78 18.134 -18.390 -1.729 1.00 0.00 N ATOM 0 H LYS A 78 18.706 -12.448 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 78 15.985 -12.294 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.324 -13.985 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.711 -14.249 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.652 -14.590 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.268 -14.298 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.014 -16.251 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.409 -16.549 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.369 -16.885 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.976 -16.557 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.547 -18.937 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.753 -18.456 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.196 -18.774 -1.495 1.00 0.00 H new ATOM 842 N PHE A 79 14.839 -11.016 0.228 1.00 0.00 N ATOM 843 CA PHE A 79 14.134 -10.214 1.230 1.00 0.00 C ATOM 844 C PHE A 79 13.595 -11.090 2.359 1.00 0.00 C ATOM 845 O PHE A 79 13.376 -10.611 3.470 1.00 0.00 O ATOM 846 CB PHE A 79 12.977 -9.444 0.590 1.00 0.00 C ATOM 847 CG PHE A 79 12.191 -10.372 -0.301 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.299 -11.291 0.259 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.359 -10.313 -1.689 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.575 -12.157 -0.569 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.637 -11.174 -2.518 1.00 0.00 C ATOM 852 CZ PHE A 79 10.744 -12.098 -1.959 1.00 0.00 C ATOM 0 H PHE A 79 14.366 -11.079 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 79 14.852 -9.507 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.330 -9.029 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.361 -8.604 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.168 -11.333 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.048 -9.601 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.887 -12.869 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.767 -11.128 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.186 -12.765 -2.599 1.00 0.00 H new ATOM 862 N ILE A 80 13.381 -12.364 2.075 1.00 0.00 N ATOM 863 CA ILE A 80 12.866 -13.284 3.085 1.00 0.00 C ATOM 864 C ILE A 80 13.842 -13.407 4.257 1.00 0.00 C ATOM 865 O ILE A 80 13.465 -13.827 5.350 1.00 0.00 O ATOM 866 CB ILE A 80 12.641 -14.661 2.457 1.00 0.00 C ATOM 867 CG1 ILE A 80 13.990 -15.289 2.092 1.00 0.00 C ATOM 868 CG2 ILE A 80 11.798 -14.508 1.186 1.00 0.00 C ATOM 869 CD1 ILE A 80 13.774 -16.696 1.545 1.00 0.00 C ATOM 0 H ILE A 80 13.553 -12.786 1.162 1.00 0.00 H new ATOM 0 HA ILE A 80 11.921 -12.892 3.462 1.00 0.00 H new ATOM 0 HB ILE A 80 12.122 -15.302 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.499 -14.674 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.634 -15.325 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.636 -15.488 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.836 -14.061 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.321 -13.866 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.736 -17.138 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.284 -17.309 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.147 -16.648 0.655 1.00 0.00 H new ATOM 881 N TYR A 81 15.097 -13.037 4.017 1.00 0.00 N ATOM 882 CA TYR A 81 16.118 -13.098 5.053 1.00 0.00 C ATOM 883 C TYR A 81 16.401 -11.709 5.620 1.00 0.00 C ATOM 884 O TYR A 81 17.316 -11.542 6.431 1.00 0.00 O ATOM 885 CB TYR A 81 17.403 -13.690 4.477 1.00 0.00 C ATOM 886 CG TYR A 81 17.183 -15.149 4.130 1.00 0.00 C ATOM 887 CD1 TYR A 81 17.510 -15.621 2.855 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.642 -16.025 5.077 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.300 -16.967 2.527 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.431 -17.369 4.753 1.00 0.00 C ATOM 891 CZ TYR A 81 16.759 -17.840 3.478 1.00 0.00 C ATOM 892 OH TYR A 81 16.553 -19.166 3.158 1.00 0.00 O ATOM 0 H TYR A 81 15.429 -12.693 3.116 1.00 0.00 H new ATOM 0 HA TYR A 81 15.752 -13.733 5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.703 -13.136 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.214 -13.596 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.926 -14.946 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.386 -15.662 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.555 -17.330 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.015 -18.043 5.487 1.00 0.00 H new ATOM 0 HH TYR A 81 16.173 -19.634 3.931 1.00 0.00 H new ATOM 902 N VAL A 82 15.623 -10.716 5.189 1.00 0.00 N ATOM 903 CA VAL A 82 15.812 -9.357 5.660 1.00 0.00 C ATOM 904 C VAL A 82 14.468 -8.709 5.988 1.00 0.00 C ATOM 905 O VAL A 82 13.435 -9.069 5.426 1.00 0.00 O ATOM 906 CB VAL A 82 16.519 -8.538 4.582 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.486 -7.765 3.755 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.493 -7.556 5.233 1.00 0.00 C ATOM 0 H VAL A 82 14.863 -10.832 4.519 1.00 0.00 H new ATOM 0 HA VAL A 82 16.419 -9.383 6.565 1.00 0.00 H new ATOM 0 HB VAL A 82 17.071 -9.213 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.996 -7.183 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.800 -8.467 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.926 -7.094 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.995 -6.974 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.945 -6.884 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.235 -8.108 5.810 1.00 0.00 H new ATOM 918 N ASP A 83 14.494 -7.740 6.889 1.00 0.00 N ATOM 919 CA ASP A 83 13.274 -7.035 7.272 1.00 0.00 C ATOM 920 C ASP A 83 13.464 -5.529 7.145 1.00 0.00 C ATOM 921 O ASP A 83 14.528 -5.008 7.440 1.00 0.00 O ATOM 922 CB ASP A 83 12.885 -7.395 8.706 1.00 0.00 C ATOM 923 CG ASP A 83 12.309 -8.805 8.745 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.046 -9.347 7.683 1.00 0.00 O ATOM 925 OD2 ASP A 83 12.131 -9.320 9.837 1.00 0.00 O ATOM 0 H ASP A 83 15.337 -7.423 7.367 1.00 0.00 H new ATOM 0 HA ASP A 83 12.473 -7.342 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.757 -7.330 9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.152 -6.682 9.084 1.00 0.00 H new ATOM 930 N VAL A 84 12.422 -4.828 6.719 1.00 0.00 N ATOM 931 CA VAL A 84 12.506 -3.379 6.571 1.00 0.00 C ATOM 932 C VAL A 84 12.127 -2.692 7.880 1.00 0.00 C ATOM 933 O VAL A 84 11.164 -3.081 8.540 1.00 0.00 O ATOM 934 CB VAL A 84 11.569 -2.917 5.454 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.828 -3.749 4.200 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.121 -3.104 5.892 1.00 0.00 C ATOM 0 H VAL A 84 11.518 -5.232 6.472 1.00 0.00 H new ATOM 0 HA VAL A 84 13.531 -3.110 6.316 1.00 0.00 H new ATOM 0 HB VAL A 84 11.751 -1.864 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.161 -3.422 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.863 -3.619 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.645 -4.801 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.454 -2.774 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.939 -4.157 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.933 -2.514 6.789 1.00 0.00 H new ATOM 946 N ILE A 85 12.893 -1.672 8.250 1.00 0.00 N ATOM 947 CA ILE A 85 12.633 -0.939 9.483 1.00 0.00 C ATOM 948 C ILE A 85 12.364 0.535 9.191 1.00 0.00 C ATOM 949 O ILE A 85 12.766 1.057 8.152 1.00 0.00 O ATOM 950 CB ILE A 85 13.833 -1.061 10.427 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.084 -0.503 9.740 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.067 -2.534 10.775 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.207 -0.356 10.761 1.00 0.00 C ATOM 0 H ILE A 85 13.695 -1.335 7.717 1.00 0.00 H new ATOM 0 HA ILE A 85 11.750 -1.370 9.956 1.00 0.00 H new ATOM 0 HB ILE A 85 13.631 -0.498 11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.396 -1.168 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.862 0.463 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.921 -2.618 11.447 1.00 0.00 H new ATOM 0 HG22 ILE A 85 13.180 -2.938 11.264 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.266 -3.096 9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.096 0.041 10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.893 0.326 11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.436 -1.330 11.193 1.00 0.00 H new ATOM 965 N SER A 86 11.683 1.200 10.120 1.00 0.00 N ATOM 966 CA SER A 86 11.371 2.615 9.953 1.00 0.00 C ATOM 967 C SER A 86 12.622 3.468 10.142 1.00 0.00 C ATOM 968 O SER A 86 13.607 3.021 10.732 1.00 0.00 O ATOM 969 CB SER A 86 10.303 3.035 10.962 1.00 0.00 C ATOM 970 OG SER A 86 10.857 3.011 12.271 1.00 0.00 O ATOM 0 H SER A 86 11.340 0.787 10.987 1.00 0.00 H new ATOM 0 HA SER A 86 10.994 2.768 8.942 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.938 4.035 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.447 2.362 10.904 1.00 0.00 H new ATOM 0 HG SER A 86 10.174 3.282 12.920 1.00 0.00 H new ATOM 976 N GLU A 87 12.576 4.697 9.641 1.00 0.00 N ATOM 977 CA GLU A 87 13.711 5.605 9.763 1.00 0.00 C ATOM 978 C GLU A 87 13.230 7.040 9.962 1.00 0.00 C ATOM 979 O GLU A 87 12.646 7.582 9.038 1.00 0.00 O ATOM 980 CB GLU A 87 14.579 5.525 8.506 1.00 0.00 C ATOM 981 CG GLU A 87 15.921 4.879 8.853 1.00 0.00 C ATOM 982 CD GLU A 87 16.824 5.894 9.545 1.00 0.00 C ATOM 983 OE1 GLU A 87 16.411 7.034 9.674 1.00 0.00 O ATOM 984 OE2 GLU A 87 17.917 5.517 9.936 1.00 0.00 O ATOM 0 H GLU A 87 11.771 5.086 9.150 1.00 0.00 H new ATOM 0 HA GLU A 87 14.300 5.308 10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.071 4.943 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.739 6.523 8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.763 4.018 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.402 4.510 7.947 1.00 0.00 H new