USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 103 HIS : no HD1:sc=-0.00974 K(o=0.96,f=0) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.971 K(o=0.96,f=0) USER MOD Set 2.1: A 102 SER OG : rot 180:sc= 0.43 USER MOD Set 2.2: A 106 LYS NZ :NH3+ -177:sc= 0.468 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.515 USER MOD Set 3.2: A 64 ASN : amide:sc= 0.557 X(o=1.1,f=0.86) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 176:sc= 0.231 USER MOD Single : A 10 ASN : amide:sc= 0.475 K(o=0.48,f=-9.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -130:sc= 0.0311 USER MOD Single : A 20 SER OG : rot -85:sc= 1.22 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 34:sc= 0.0469 USER MOD Single : A 35 HIS : no HD1:sc=-0.000271 X(o=-0.00027,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= -0.208 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.241 (180deg=0.159) USER MOD Single : A 43 TYR OH : rot 150:sc= 1.28 USER MOD Single : A 48 THR OG1 : rot -53:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -130:sc= 0.326 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.321 X(o=0.32,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 148:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 1.99 (180deg=1.86) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00493 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.714 1.256 14.853 1.00 0.00 N ATOM 2 CA SER A 1 -0.955 1.329 13.386 1.00 0.00 C ATOM 3 C SER A 1 -0.704 -0.030 12.725 1.00 0.00 C ATOM 4 O SER A 1 0.425 -0.521 12.743 1.00 0.00 O ATOM 5 CB SER A 1 -0.063 2.388 12.712 1.00 0.00 C ATOM 6 OG SER A 1 -0.221 3.670 13.308 1.00 0.00 O ATOM 0 H1 SER A 1 -0.890 2.188 15.280 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.355 0.554 15.276 1.00 0.00 H new ATOM 0 H3 SER A 1 0.272 0.975 15.029 1.00 0.00 H new ATOM 0 HA SER A 1 -1.998 1.615 13.252 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.981 2.081 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.308 2.448 11.652 1.00 0.00 H new ATOM 0 HG SER A 1 0.406 4.301 12.898 1.00 0.00 H new ATOM 14 N ASP A 2 -1.732 -0.654 12.133 1.00 0.00 N ATOM 15 CA ASP A 2 -1.565 -1.899 11.349 1.00 0.00 C ATOM 16 C ASP A 2 -0.890 -1.635 9.986 1.00 0.00 C ATOM 17 O ASP A 2 -0.160 -2.491 9.483 1.00 0.00 O ATOM 18 CB ASP A 2 -2.923 -2.593 11.144 1.00 0.00 C ATOM 19 CG ASP A 2 -3.521 -3.174 12.436 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.755 -3.607 13.333 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.769 -3.254 12.534 1.00 0.00 O ATOM 0 H ASP A 2 -2.695 -0.320 12.179 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.910 -2.557 11.920 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.626 -1.877 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.805 -3.395 10.416 1.00 0.00 H new ATOM 26 N VAL A 3 -1.101 -0.443 9.409 1.00 0.00 N ATOM 27 CA VAL A 3 -0.369 0.052 8.228 1.00 0.00 C ATOM 28 C VAL A 3 1.048 0.456 8.645 1.00 0.00 C ATOM 29 O VAL A 3 1.218 1.246 9.575 1.00 0.00 O ATOM 30 CB VAL A 3 -1.091 1.257 7.596 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.383 1.738 6.324 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.537 0.936 7.202 1.00 0.00 C ATOM 0 H VAL A 3 -1.797 0.218 9.754 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.325 -0.744 7.485 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.076 2.029 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.922 2.589 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.637 2.037 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.360 0.930 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.999 1.820 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.544 0.123 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.098 0.637 8.088 1.00 0.00 H new ATOM 42 N LEU A 4 2.066 -0.067 7.956 1.00 0.00 N ATOM 43 CA LEU A 4 3.471 0.318 8.137 1.00 0.00 C ATOM 44 C LEU A 4 3.722 1.732 7.580 1.00 0.00 C ATOM 45 O LEU A 4 3.595 1.975 6.380 1.00 0.00 O ATOM 46 CB LEU A 4 4.373 -0.712 7.432 1.00 0.00 C ATOM 47 CG LEU A 4 4.279 -2.160 7.958 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.136 -3.069 7.079 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.781 -2.272 9.400 1.00 0.00 C ATOM 0 H LEU A 4 1.935 -0.784 7.242 1.00 0.00 H new ATOM 0 HA LEU A 4 3.706 0.333 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.128 -0.715 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.408 -0.380 7.519 1.00 0.00 H new ATOM 0 HG LEU A 4 3.231 -2.458 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.074 -4.094 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.774 -3.029 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.173 -2.734 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.699 -3.306 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.823 -1.957 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.179 -1.633 10.046 1.00 0.00 H new ATOM 61 N GLU A 5 4.101 2.685 8.428 1.00 0.00 N ATOM 62 CA GLU A 5 4.324 4.089 8.032 1.00 0.00 C ATOM 63 C GLU A 5 5.768 4.297 7.523 1.00 0.00 C ATOM 64 O GLU A 5 6.583 5.004 8.134 1.00 0.00 O ATOM 65 CB GLU A 5 3.916 5.032 9.180 1.00 0.00 C ATOM 66 CG GLU A 5 2.430 4.856 9.543 1.00 0.00 C ATOM 67 CD GLU A 5 1.960 5.856 10.613 1.00 0.00 C ATOM 68 OE1 GLU A 5 1.685 7.031 10.271 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.820 5.465 11.799 1.00 0.00 O ATOM 0 H GLU A 5 4.266 2.512 9.420 1.00 0.00 H new ATOM 0 HA GLU A 5 3.683 4.342 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.533 4.832 10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.102 6.066 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.824 4.978 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.266 3.840 9.903 1.00 0.00 H new ATOM 76 N LEU A 6 6.105 3.594 6.439 1.00 0.00 N ATOM 77 CA LEU A 6 7.451 3.508 5.857 1.00 0.00 C ATOM 78 C LEU A 6 8.004 4.847 5.323 1.00 0.00 C ATOM 79 O LEU A 6 7.278 5.804 5.034 1.00 0.00 O ATOM 80 CB LEU A 6 7.450 2.459 4.721 1.00 0.00 C ATOM 81 CG LEU A 6 7.015 1.032 5.113 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.092 0.124 3.887 1.00 0.00 C ATOM 83 CD2 LEU A 6 7.895 0.409 6.200 1.00 0.00 C ATOM 0 H LEU A 6 5.420 3.045 5.919 1.00 0.00 H new ATOM 0 HA LEU A 6 8.115 3.214 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.791 2.813 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.454 2.408 4.301 1.00 0.00 H new ATOM 0 HG LEU A 6 6.000 1.117 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.785 -0.885 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.430 0.506 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.116 0.103 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.535 -0.594 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.925 0.353 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.853 1.024 7.099 1.00 0.00 H new ATOM 95 N THR A 7 9.322 4.876 5.125 1.00 0.00 N ATOM 96 CA THR A 7 10.075 5.950 4.448 1.00 0.00 C ATOM 97 C THR A 7 11.386 5.389 3.883 1.00 0.00 C ATOM 98 O THR A 7 11.724 4.243 4.162 1.00 0.00 O ATOM 99 CB THR A 7 10.301 7.132 5.408 1.00 0.00 C ATOM 100 OG1 THR A 7 10.815 8.250 4.723 1.00 0.00 O ATOM 101 CG2 THR A 7 11.229 6.825 6.578 1.00 0.00 C ATOM 0 H THR A 7 9.928 4.120 5.444 1.00 0.00 H new ATOM 0 HA THR A 7 9.496 6.333 3.607 1.00 0.00 H new ATOM 0 HB THR A 7 9.313 7.342 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.948 8.988 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.332 7.712 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.811 6.011 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.208 6.532 6.199 1.00 0.00 H new ATOM 109 N ASP A 8 12.151 6.163 3.114 1.00 0.00 N ATOM 110 CA ASP A 8 13.405 5.726 2.480 1.00 0.00 C ATOM 111 C ASP A 8 14.442 5.118 3.450 1.00 0.00 C ATOM 112 O ASP A 8 15.267 4.293 3.056 1.00 0.00 O ATOM 113 CB ASP A 8 13.986 6.931 1.730 1.00 0.00 C ATOM 114 CG ASP A 8 15.288 6.594 0.981 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.225 5.886 -0.052 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.375 7.056 1.412 1.00 0.00 O ATOM 0 H ASP A 8 11.915 7.134 2.907 1.00 0.00 H new ATOM 0 HA ASP A 8 13.169 4.906 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.248 7.301 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.178 7.737 2.439 1.00 0.00 H new ATOM 121 N ASP A 9 14.382 5.489 4.730 1.00 0.00 N ATOM 122 CA ASP A 9 15.240 4.963 5.803 1.00 0.00 C ATOM 123 C ASP A 9 14.984 3.482 6.163 1.00 0.00 C ATOM 124 O ASP A 9 15.868 2.819 6.714 1.00 0.00 O ATOM 125 CB ASP A 9 15.032 5.840 7.049 1.00 0.00 C ATOM 126 CG ASP A 9 16.082 5.575 8.142 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.286 5.832 7.897 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.707 5.141 9.259 1.00 0.00 O ATOM 0 H ASP A 9 13.715 6.185 5.063 1.00 0.00 H new ATOM 0 HA ASP A 9 16.267 4.998 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.071 6.890 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.037 5.658 7.455 1.00 0.00 H new ATOM 133 N ASN A 10 13.786 2.963 5.862 1.00 0.00 N ATOM 134 CA ASN A 10 13.331 1.623 6.269 1.00 0.00 C ATOM 135 C ASN A 10 12.614 0.802 5.174 1.00 0.00 C ATOM 136 O ASN A 10 12.636 -0.428 5.247 1.00 0.00 O ATOM 137 CB ASN A 10 12.498 1.754 7.559 1.00 0.00 C ATOM 138 CG ASN A 10 11.228 2.589 7.433 1.00 0.00 C ATOM 139 OD1 ASN A 10 10.512 2.549 6.449 1.00 0.00 O ATOM 140 ND2 ASN A 10 10.904 3.384 8.423 1.00 0.00 N ATOM 0 H ASN A 10 13.090 3.472 5.317 1.00 0.00 H new ATOM 0 HA ASN A 10 14.224 1.028 6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.224 0.755 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.126 2.193 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.063 3.958 8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.493 3.429 9.254 1.00 0.00 H new ATOM 147 N PHE A 11 12.059 1.433 4.129 1.00 0.00 N ATOM 148 CA PHE A 11 11.491 0.742 2.956 1.00 0.00 C ATOM 149 C PHE A 11 12.544 -0.155 2.272 1.00 0.00 C ATOM 150 O PHE A 11 12.259 -1.279 1.860 1.00 0.00 O ATOM 151 CB PHE A 11 10.926 1.801 1.990 1.00 0.00 C ATOM 152 CG PHE A 11 10.130 1.247 0.820 1.00 0.00 C ATOM 153 CD1 PHE A 11 10.790 0.674 -0.284 1.00 0.00 C ATOM 154 CD2 PHE A 11 8.724 1.335 0.819 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.049 0.160 -1.365 1.00 0.00 C ATOM 156 CE2 PHE A 11 7.981 0.834 -0.268 1.00 0.00 C ATOM 157 CZ PHE A 11 8.644 0.250 -1.361 1.00 0.00 C ATOM 0 H PHE A 11 11.990 2.449 4.071 1.00 0.00 H new ATOM 0 HA PHE A 11 10.684 0.081 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.288 2.481 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.754 2.392 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.869 0.629 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.213 1.789 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.558 -0.303 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.903 0.899 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.076 -0.130 -2.197 1.00 0.00 H new ATOM 167 N GLU A 12 13.796 0.307 2.276 1.00 0.00 N ATOM 168 CA GLU A 12 15.017 -0.351 1.770 1.00 0.00 C ATOM 169 C GLU A 12 15.464 -1.613 2.542 1.00 0.00 C ATOM 170 O GLU A 12 16.539 -2.165 2.306 1.00 0.00 O ATOM 171 CB GLU A 12 16.148 0.688 1.785 1.00 0.00 C ATOM 172 CG GLU A 12 15.952 1.826 0.775 1.00 0.00 C ATOM 173 CD GLU A 12 16.192 1.350 -0.673 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.361 1.346 -1.127 1.00 0.00 O ATOM 175 OE2 GLU A 12 15.214 0.981 -1.371 1.00 0.00 O ATOM 0 H GLU A 12 14.007 1.227 2.664 1.00 0.00 H new ATOM 0 HA GLU A 12 14.783 -0.710 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.227 1.112 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.093 0.187 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.941 2.223 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.636 2.642 1.008 1.00 0.00 H new ATOM 182 N SER A 13 14.642 -2.085 3.479 1.00 0.00 N ATOM 183 CA SER A 13 14.799 -3.378 4.168 1.00 0.00 C ATOM 184 C SER A 13 13.506 -4.202 4.306 1.00 0.00 C ATOM 185 O SER A 13 13.563 -5.350 4.750 1.00 0.00 O ATOM 186 CB SER A 13 15.477 -3.157 5.526 1.00 0.00 C ATOM 187 OG SER A 13 16.760 -2.619 5.274 1.00 0.00 O ATOM 0 H SER A 13 13.822 -1.567 3.793 1.00 0.00 H new ATOM 0 HA SER A 13 15.435 -3.991 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.889 -2.477 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.555 -4.096 6.074 1.00 0.00 H new ATOM 0 HG SER A 13 17.222 -2.463 6.124 1.00 0.00 H new ATOM 193 N ARG A 14 12.352 -3.688 3.850 1.00 0.00 N ATOM 194 CA ARG A 14 11.099 -4.465 3.723 1.00 0.00 C ATOM 195 C ARG A 14 11.107 -5.402 2.511 1.00 0.00 C ATOM 196 O ARG A 14 10.456 -6.444 2.545 1.00 0.00 O ATOM 197 CB ARG A 14 9.894 -3.520 3.630 1.00 0.00 C ATOM 198 CG ARG A 14 9.700 -2.618 4.863 1.00 0.00 C ATOM 199 CD ARG A 14 9.464 -3.414 6.154 1.00 0.00 C ATOM 200 NE ARG A 14 9.341 -2.517 7.317 1.00 0.00 N ATOM 201 CZ ARG A 14 8.932 -2.858 8.529 1.00 0.00 C ATOM 202 NH1 ARG A 14 8.579 -4.079 8.829 1.00 0.00 N ATOM 203 NH2 ARG A 14 8.868 -1.965 9.479 1.00 0.00 N ATOM 0 H ARG A 14 12.257 -2.716 3.556 1.00 0.00 H new ATOM 0 HA ARG A 14 11.021 -5.083 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.008 -2.890 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.992 -4.114 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.580 -1.987 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.853 -1.954 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.558 -4.012 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.289 -4.108 6.312 1.00 0.00 H new ATOM 0 HE ARG A 14 9.595 -1.540 7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.613 -4.809 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.269 -4.303 9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.134 -0.999 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.552 -2.234 10.411 1.00 0.00 H new ATOM 217 N ILE A 15 11.911 -5.089 1.492 1.00 0.00 N ATOM 218 CA ILE A 15 12.173 -5.944 0.315 1.00 0.00 C ATOM 219 C ILE A 15 12.765 -7.324 0.669 1.00 0.00 C ATOM 220 O ILE A 15 12.750 -8.251 -0.140 1.00 0.00 O ATOM 221 CB ILE A 15 13.044 -5.225 -0.745 1.00 0.00 C ATOM 222 CG1 ILE A 15 14.573 -5.299 -0.528 1.00 0.00 C ATOM 223 CG2 ILE A 15 12.589 -3.770 -0.932 1.00 0.00 C ATOM 224 CD1 ILE A 15 15.074 -4.646 0.759 1.00 0.00 C ATOM 0 H ILE A 15 12.418 -4.205 1.455 1.00 0.00 H new ATOM 0 HA ILE A 15 11.192 -6.133 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 15 12.874 -5.792 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 15 14.875 -6.346 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.069 -4.825 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.216 -3.286 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.550 -3.753 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.678 -3.237 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 15 16.157 -4.749 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.810 -3.589 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.613 -5.134 1.618 1.00 0.00 H new ATOM 236 N SER A 16 13.277 -7.442 1.894 1.00 0.00 N ATOM 237 CA SER A 16 13.867 -8.661 2.478 1.00 0.00 C ATOM 238 C SER A 16 12.887 -9.470 3.354 1.00 0.00 C ATOM 239 O SER A 16 13.262 -10.508 3.903 1.00 0.00 O ATOM 240 CB SER A 16 15.115 -8.292 3.304 1.00 0.00 C ATOM 241 OG SER A 16 16.041 -7.535 2.537 1.00 0.00 O ATOM 0 H SER A 16 13.296 -6.655 2.543 1.00 0.00 H new ATOM 0 HA SER A 16 14.134 -9.304 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.815 -7.721 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.596 -9.201 3.664 1.00 0.00 H new ATOM 0 HG SER A 16 16.820 -7.315 3.089 1.00 0.00 H new ATOM 247 N ASP A 17 11.633 -9.015 3.481 1.00 0.00 N ATOM 248 CA ASP A 17 10.600 -9.603 4.356 1.00 0.00 C ATOM 249 C ASP A 17 9.277 -9.901 3.620 1.00 0.00 C ATOM 250 O ASP A 17 8.345 -10.474 4.189 1.00 0.00 O ATOM 251 CB ASP A 17 10.405 -8.667 5.563 1.00 0.00 C ATOM 252 CG ASP A 17 9.556 -9.293 6.682 1.00 0.00 C ATOM 253 OD1 ASP A 17 9.937 -10.373 7.197 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.534 -8.678 7.080 1.00 0.00 O ATOM 0 H ASP A 17 11.296 -8.203 2.964 1.00 0.00 H new ATOM 0 HA ASP A 17 10.941 -10.580 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.381 -8.394 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.930 -7.745 5.227 1.00 0.00 H new ATOM 259 N THR A 18 9.198 -9.568 2.331 1.00 0.00 N ATOM 260 CA THR A 18 8.039 -9.826 1.451 1.00 0.00 C ATOM 261 C THR A 18 7.684 -11.294 1.267 1.00 0.00 C ATOM 262 O THR A 18 6.524 -11.597 1.001 1.00 0.00 O ATOM 263 CB THR A 18 8.249 -9.225 0.053 1.00 0.00 C ATOM 264 OG1 THR A 18 9.604 -9.289 -0.360 1.00 0.00 O ATOM 265 CG2 THR A 18 7.822 -7.765 0.068 1.00 0.00 C ATOM 0 H THR A 18 9.961 -9.095 1.847 1.00 0.00 H new ATOM 0 HA THR A 18 7.212 -9.346 1.975 1.00 0.00 H new ATOM 0 HB THR A 18 7.650 -9.808 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.891 -8.408 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.969 -7.333 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.769 -7.697 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.422 -7.218 0.795 1.00 0.00 H new ATOM 273 N GLY A 19 8.637 -12.208 1.449 1.00 0.00 N ATOM 274 CA GLY A 19 8.422 -13.663 1.391 1.00 0.00 C ATOM 275 C GLY A 19 7.309 -14.185 2.321 1.00 0.00 C ATOM 276 O GLY A 19 6.729 -15.242 2.066 1.00 0.00 O ATOM 0 H GLY A 19 9.606 -11.956 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.180 -13.941 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.355 -14.165 1.645 1.00 0.00 H new ATOM 280 N SER A 20 6.976 -13.415 3.367 1.00 0.00 N ATOM 281 CA SER A 20 5.869 -13.670 4.297 1.00 0.00 C ATOM 282 C SER A 20 4.471 -13.730 3.668 1.00 0.00 C ATOM 283 O SER A 20 3.628 -14.522 4.108 1.00 0.00 O ATOM 284 CB SER A 20 5.884 -12.598 5.392 1.00 0.00 C ATOM 285 OG SER A 20 5.805 -11.284 4.852 1.00 0.00 O ATOM 0 H SER A 20 7.491 -12.565 3.596 1.00 0.00 H new ATOM 0 HA SER A 20 6.046 -14.671 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.047 -12.762 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.796 -12.694 5.981 1.00 0.00 H new ATOM 0 HG SER A 20 6.703 -10.975 4.610 1.00 0.00 H new ATOM 291 N ALA A 21 4.242 -12.935 2.625 1.00 0.00 N ATOM 292 CA ALA A 21 2.985 -12.860 1.867 1.00 0.00 C ATOM 293 C ALA A 21 3.178 -12.985 0.343 1.00 0.00 C ATOM 294 O ALA A 21 2.202 -13.049 -0.410 1.00 0.00 O ATOM 295 CB ALA A 21 2.318 -11.528 2.230 1.00 0.00 C ATOM 0 H ALA A 21 4.953 -12.298 2.267 1.00 0.00 H new ATOM 0 HA ALA A 21 2.357 -13.708 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.378 -11.432 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.122 -11.499 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.979 -10.705 1.960 1.00 0.00 H new ATOM 301 N GLY A 22 4.429 -12.999 -0.128 1.00 0.00 N ATOM 302 CA GLY A 22 4.804 -12.994 -1.550 1.00 0.00 C ATOM 303 C GLY A 22 4.888 -11.599 -2.184 1.00 0.00 C ATOM 304 O GLY A 22 5.520 -11.447 -3.230 1.00 0.00 O ATOM 0 H GLY A 22 5.239 -13.015 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.770 -13.487 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.078 -13.588 -2.106 1.00 0.00 H new ATOM 308 N LEU A 23 4.289 -10.574 -1.566 1.00 0.00 N ATOM 309 CA LEU A 23 4.337 -9.168 -1.997 1.00 0.00 C ATOM 310 C LEU A 23 4.091 -8.191 -0.829 1.00 0.00 C ATOM 311 O LEU A 23 3.707 -8.599 0.266 1.00 0.00 O ATOM 312 CB LEU A 23 3.345 -8.942 -3.166 1.00 0.00 C ATOM 313 CG LEU A 23 1.830 -9.026 -2.880 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.240 -7.746 -2.272 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.082 -9.264 -4.199 1.00 0.00 C ATOM 0 H LEU A 23 3.736 -10.704 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 23 5.344 -8.955 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.548 -7.957 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.576 -9.673 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 23 1.709 -9.837 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.172 -7.883 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.735 -7.531 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.393 -6.913 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.011 -9.324 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.280 -8.439 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.422 -10.198 -4.647 1.00 0.00 H new ATOM 327 N MET A 24 4.250 -6.892 -1.102 1.00 0.00 N ATOM 328 CA MET A 24 3.845 -5.789 -0.221 1.00 0.00 C ATOM 329 C MET A 24 2.985 -4.793 -1.011 1.00 0.00 C ATOM 330 O MET A 24 3.249 -4.537 -2.191 1.00 0.00 O ATOM 331 CB MET A 24 5.089 -5.113 0.387 1.00 0.00 C ATOM 332 CG MET A 24 4.735 -3.993 1.374 1.00 0.00 C ATOM 333 SD MET A 24 6.143 -3.281 2.268 1.00 0.00 S ATOM 334 CE MET A 24 6.952 -2.346 0.943 1.00 0.00 C ATOM 0 H MET A 24 4.678 -6.568 -1.969 1.00 0.00 H new ATOM 0 HA MET A 24 3.246 -6.175 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.692 -5.864 0.898 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.703 -4.703 -0.415 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.230 -3.196 0.829 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.022 -4.383 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.839 -1.849 1.337 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.243 -3.026 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.262 -1.599 0.551 1.00 0.00 H new ATOM 344 N LEU A 25 1.968 -4.236 -0.351 1.00 0.00 N ATOM 345 CA LEU A 25 1.095 -3.185 -0.879 1.00 0.00 C ATOM 346 C LEU A 25 1.412 -1.879 -0.138 1.00 0.00 C ATOM 347 O LEU A 25 1.524 -1.875 1.090 1.00 0.00 O ATOM 348 CB LEU A 25 -0.377 -3.620 -0.702 1.00 0.00 C ATOM 349 CG LEU A 25 -1.432 -2.616 -1.212 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.379 -2.413 -2.723 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.831 -3.136 -0.884 1.00 0.00 C ATOM 0 H LEU A 25 1.721 -4.514 0.599 1.00 0.00 H new ATOM 0 HA LEU A 25 1.262 -3.020 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.522 -4.568 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.558 -3.805 0.357 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.214 -1.668 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.144 -1.696 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.397 -2.033 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.558 -3.364 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.576 -2.427 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.984 -4.100 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.932 -3.252 0.195 1.00 0.00 H new ATOM 363 N VAL A 26 1.549 -0.772 -0.866 1.00 0.00 N ATOM 364 CA VAL A 26 1.884 0.545 -0.295 1.00 0.00 C ATOM 365 C VAL A 26 1.019 1.644 -0.910 1.00 0.00 C ATOM 366 O VAL A 26 0.717 1.596 -2.097 1.00 0.00 O ATOM 367 CB VAL A 26 3.392 0.842 -0.422 1.00 0.00 C ATOM 368 CG1 VAL A 26 3.862 0.955 -1.874 1.00 0.00 C ATOM 369 CG2 VAL A 26 3.816 2.119 0.311 1.00 0.00 C ATOM 0 H VAL A 26 1.431 -0.757 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 26 1.659 0.522 0.771 1.00 0.00 H new ATOM 0 HB VAL A 26 3.867 -0.020 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.931 1.165 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.666 0.017 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.324 1.764 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.888 2.273 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.276 2.971 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.587 2.023 1.372 1.00 0.00 H new ATOM 379 N GLU A 27 0.640 2.640 -0.108 1.00 0.00 N ATOM 380 CA GLU A 27 -0.104 3.833 -0.531 1.00 0.00 C ATOM 381 C GLU A 27 0.783 5.078 -0.406 1.00 0.00 C ATOM 382 O GLU A 27 1.169 5.482 0.692 1.00 0.00 O ATOM 383 CB GLU A 27 -1.381 3.967 0.321 1.00 0.00 C ATOM 384 CG GLU A 27 -2.226 5.182 -0.092 1.00 0.00 C ATOM 385 CD GLU A 27 -3.443 5.321 0.838 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.500 4.716 0.541 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.351 6.055 1.849 1.00 0.00 O ATOM 0 H GLU A 27 0.849 2.641 0.890 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.395 3.735 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.978 3.060 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.107 4.057 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.620 6.087 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.558 5.070 -1.124 1.00 0.00 H new ATOM 394 N PHE A 28 1.124 5.699 -1.534 1.00 0.00 N ATOM 395 CA PHE A 28 1.774 7.009 -1.520 1.00 0.00 C ATOM 396 C PHE A 28 0.749 8.117 -1.270 1.00 0.00 C ATOM 397 O PHE A 28 -0.337 8.118 -1.860 1.00 0.00 O ATOM 398 CB PHE A 28 2.530 7.244 -2.821 1.00 0.00 C ATOM 399 CG PHE A 28 3.821 6.453 -2.896 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.801 5.097 -3.278 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.035 7.060 -2.518 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.988 4.342 -3.256 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.226 6.311 -2.520 1.00 0.00 C ATOM 404 CZ PHE A 28 6.199 4.948 -2.872 1.00 0.00 C ATOM 0 H PHE A 28 0.962 5.318 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 28 2.495 7.029 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.892 6.972 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.753 8.306 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.874 4.637 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.051 8.100 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.970 3.298 -3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.160 6.781 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.109 4.367 -2.847 1.00 0.00 H new ATOM 414 N PHE A 29 1.110 9.061 -0.400 1.00 0.00 N ATOM 415 CA PHE A 29 0.243 10.137 0.097 1.00 0.00 C ATOM 416 C PHE A 29 1.037 11.396 0.501 1.00 0.00 C ATOM 417 O PHE A 29 2.255 11.452 0.328 1.00 0.00 O ATOM 418 CB PHE A 29 -0.611 9.589 1.264 1.00 0.00 C ATOM 419 CG PHE A 29 0.069 9.498 2.617 1.00 0.00 C ATOM 420 CD1 PHE A 29 1.101 8.568 2.840 1.00 0.00 C ATOM 421 CD2 PHE A 29 -0.335 10.354 3.663 1.00 0.00 C ATOM 422 CE1 PHE A 29 1.751 8.515 4.084 1.00 0.00 C ATOM 423 CE2 PHE A 29 0.306 10.296 4.914 1.00 0.00 C ATOM 424 CZ PHE A 29 1.350 9.376 5.121 1.00 0.00 C ATOM 0 H PHE A 29 2.050 9.101 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.415 10.459 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.493 10.221 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.962 8.594 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.395 7.892 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.139 11.057 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.557 7.814 4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.002 10.955 5.712 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.845 9.331 6.080 1.00 0.00 H new ATOM 434 N ALA A 30 0.354 12.403 1.050 1.00 0.00 N ATOM 435 CA ALA A 30 0.948 13.591 1.673 1.00 0.00 C ATOM 436 C ALA A 30 0.045 14.096 2.830 1.00 0.00 C ATOM 437 O ALA A 30 -1.156 13.787 2.838 1.00 0.00 O ATOM 438 CB ALA A 30 1.103 14.668 0.584 1.00 0.00 C ATOM 0 H ALA A 30 -0.666 12.415 1.074 1.00 0.00 H new ATOM 0 HA ALA A 30 1.923 13.354 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.543 15.565 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.751 14.294 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.124 14.909 0.169 1.00 0.00 H new ATOM 444 N PRO A 31 0.559 14.899 3.784 1.00 0.00 N ATOM 445 CA PRO A 31 -0.249 15.493 4.861 1.00 0.00 C ATOM 446 C PRO A 31 -1.136 16.664 4.391 1.00 0.00 C ATOM 447 O PRO A 31 -2.020 17.116 5.129 1.00 0.00 O ATOM 448 CB PRO A 31 0.775 15.949 5.903 1.00 0.00 C ATOM 449 CG PRO A 31 1.992 16.321 5.059 1.00 0.00 C ATOM 450 CD PRO A 31 1.952 15.303 3.919 1.00 0.00 C ATOM 0 HA PRO A 31 -0.962 14.769 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.411 16.799 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.006 15.156 6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.927 17.344 4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.917 16.248 5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.322 15.742 2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.586 14.445 4.141 1.00 0.00 H new ATOM 458 N TRP A 32 -0.903 17.177 3.180 1.00 0.00 N ATOM 459 CA TRP A 32 -1.631 18.292 2.559 1.00 0.00 C ATOM 460 C TRP A 32 -3.096 17.944 2.212 1.00 0.00 C ATOM 461 O TRP A 32 -3.512 16.783 2.256 1.00 0.00 O ATOM 462 CB TRP A 32 -0.855 18.739 1.307 1.00 0.00 C ATOM 463 CG TRP A 32 0.635 18.878 1.465 1.00 0.00 C ATOM 464 CD1 TRP A 32 1.552 18.402 0.593 1.00 0.00 C ATOM 465 CD2 TRP A 32 1.404 19.477 2.563 1.00 0.00 C ATOM 466 NE1 TRP A 32 2.822 18.640 1.074 1.00 0.00 N ATOM 467 CE2 TRP A 32 2.795 19.286 2.288 1.00 0.00 C ATOM 468 CE3 TRP A 32 1.086 20.143 3.771 1.00 0.00 C ATOM 469 CZ2 TRP A 32 3.803 19.713 3.160 1.00 0.00 C ATOM 470 CZ3 TRP A 32 2.094 20.582 4.653 1.00 0.00 C ATOM 471 CH2 TRP A 32 3.450 20.367 4.353 1.00 0.00 C ATOM 0 H TRP A 32 -0.168 16.811 2.576 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.691 19.106 3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.050 18.023 0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.256 19.698 0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.324 17.909 -0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.677 18.370 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.050 20.318 4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.842 19.542 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.822 21.088 5.567 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.217 20.703 5.036 1.00 0.00 H new ATOM 482 N CYS A 33 -3.891 18.960 1.857 1.00 0.00 N ATOM 483 CA CYS A 33 -5.283 18.801 1.411 1.00 0.00 C ATOM 484 C CYS A 33 -5.420 17.875 0.178 1.00 0.00 C ATOM 485 O CYS A 33 -4.738 18.064 -0.836 1.00 0.00 O ATOM 486 CB CYS A 33 -5.889 20.195 1.161 1.00 0.00 C ATOM 487 SG CYS A 33 -4.876 21.172 0.006 1.00 0.00 S ATOM 0 H CYS A 33 -3.582 19.932 1.871 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.843 18.301 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.897 20.087 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.978 20.728 2.108 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.341 20.382 -0.877 1.00 0.00 H new ATOM 493 N GLY A 34 -6.315 16.882 0.259 1.00 0.00 N ATOM 494 CA GLY A 34 -6.585 15.925 -0.825 1.00 0.00 C ATOM 495 C GLY A 34 -7.352 14.678 -0.375 1.00 0.00 C ATOM 496 O GLY A 34 -7.657 14.501 0.809 1.00 0.00 O ATOM 0 H GLY A 34 -6.881 16.717 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.155 16.428 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.638 15.617 -1.269 1.00 0.00 H new ATOM 500 N HIS A 35 -7.640 13.784 -1.332 1.00 0.00 N ATOM 501 CA HIS A 35 -8.437 12.560 -1.133 1.00 0.00 C ATOM 502 C HIS A 35 -7.740 11.468 -0.288 1.00 0.00 C ATOM 503 O HIS A 35 -8.359 10.452 0.028 1.00 0.00 O ATOM 504 CB HIS A 35 -8.836 12.004 -2.510 1.00 0.00 C ATOM 505 CG HIS A 35 -9.589 12.978 -3.377 1.00 0.00 C ATOM 506 ND1 HIS A 35 -10.871 13.440 -3.163 1.00 0.00 N ATOM 507 CD2 HIS A 35 -9.134 13.569 -4.524 1.00 0.00 C ATOM 508 CE1 HIS A 35 -11.176 14.302 -4.151 1.00 0.00 C ATOM 509 NE2 HIS A 35 -10.141 14.418 -5.005 1.00 0.00 N ATOM 0 H HIS A 35 -7.317 13.894 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.315 12.845 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.935 11.688 -3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.449 11.114 -2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.168 13.409 -4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.116 14.826 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.098 15.007 -5.837 1.00 0.00 H new ATOM 517 N CYS A 36 -6.473 11.662 0.113 1.00 0.00 N ATOM 518 CA CYS A 36 -5.728 10.697 0.934 1.00 0.00 C ATOM 519 C CYS A 36 -6.406 10.484 2.300 1.00 0.00 C ATOM 520 O CYS A 36 -6.534 9.361 2.785 1.00 0.00 O ATOM 521 CB CYS A 36 -4.289 11.198 1.134 1.00 0.00 C ATOM 522 SG CYS A 36 -3.389 11.281 -0.448 1.00 0.00 S ATOM 0 H CYS A 36 -5.936 12.496 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.716 9.739 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.307 12.185 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.763 10.534 1.820 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.180 11.710 -0.237 1.00 0.00 H new ATOM 528 N LYS A 37 -6.894 11.577 2.900 1.00 0.00 N ATOM 529 CA LYS A 37 -7.547 11.619 4.221 1.00 0.00 C ATOM 530 C LYS A 37 -8.918 10.923 4.252 1.00 0.00 C ATOM 531 O LYS A 37 -9.334 10.420 5.297 1.00 0.00 O ATOM 532 CB LYS A 37 -7.655 13.093 4.644 1.00 0.00 C ATOM 533 CG LYS A 37 -6.264 13.718 4.853 1.00 0.00 C ATOM 534 CD LYS A 37 -6.353 15.237 5.014 1.00 0.00 C ATOM 535 CE LYS A 37 -4.953 15.794 5.309 1.00 0.00 C ATOM 536 NZ LYS A 37 -4.991 17.230 5.675 1.00 0.00 N ATOM 0 H LYS A 37 -6.844 12.497 2.462 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.937 11.057 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.197 13.653 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.232 13.168 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.797 13.284 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.624 13.477 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.754 15.688 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.037 15.490 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.500 15.225 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.318 15.660 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.038 17.636 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.643 17.733 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.319 17.329 6.657 1.00 0.00 H new ATOM 550 N ARG A 38 -9.597 10.851 3.095 1.00 0.00 N ATOM 551 CA ARG A 38 -10.854 10.102 2.898 1.00 0.00 C ATOM 552 C ARG A 38 -10.634 8.595 2.700 1.00 0.00 C ATOM 553 O ARG A 38 -11.530 7.812 3.022 1.00 0.00 O ATOM 554 CB ARG A 38 -11.621 10.670 1.685 1.00 0.00 C ATOM 555 CG ARG A 38 -12.124 12.114 1.869 1.00 0.00 C ATOM 556 CD ARG A 38 -13.183 12.225 2.975 1.00 0.00 C ATOM 557 NE ARG A 38 -13.758 13.583 3.034 1.00 0.00 N ATOM 558 CZ ARG A 38 -14.774 13.963 3.795 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.386 13.143 4.610 1.00 0.00 N ATOM 560 NH2 ARG A 38 -15.192 15.196 3.758 1.00 0.00 N ATOM 0 H ARG A 38 -9.281 11.323 2.248 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.436 10.226 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.972 10.633 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.474 10.025 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.281 12.762 2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.544 12.473 0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.976 11.500 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.735 11.976 3.937 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.335 14.293 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.085 12.171 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.164 13.476 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.737 15.870 3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.974 15.487 4.344 1.00 0.00 H new ATOM 574 N LEU A 39 -9.457 8.189 2.214 1.00 0.00 N ATOM 575 CA LEU A 39 -9.116 6.788 1.927 1.00 0.00 C ATOM 576 C LEU A 39 -8.334 6.097 3.059 1.00 0.00 C ATOM 577 O LEU A 39 -8.540 4.906 3.294 1.00 0.00 O ATOM 578 CB LEU A 39 -8.334 6.744 0.602 1.00 0.00 C ATOM 579 CG LEU A 39 -7.977 5.319 0.129 1.00 0.00 C ATOM 580 CD1 LEU A 39 -9.212 4.423 -0.025 1.00 0.00 C ATOM 581 CD2 LEU A 39 -7.276 5.412 -1.228 1.00 0.00 C ATOM 0 H LEU A 39 -8.698 8.837 2.004 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.045 6.224 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.924 7.235 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.415 7.319 0.716 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.333 4.874 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.904 3.433 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.723 4.339 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.889 4.860 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.018 4.411 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.942 5.885 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.368 6.007 -1.128 1.00 0.00 H new ATOM 593 N ALA A 40 -7.510 6.831 3.810 1.00 0.00 N ATOM 594 CA ALA A 40 -6.768 6.321 4.961 1.00 0.00 C ATOM 595 C ALA A 40 -7.609 5.518 5.993 1.00 0.00 C ATOM 596 O ALA A 40 -7.140 4.452 6.399 1.00 0.00 O ATOM 597 CB ALA A 40 -6.026 7.492 5.622 1.00 0.00 C ATOM 0 H ALA A 40 -7.337 7.820 3.629 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.064 5.581 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.467 7.128 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.337 7.938 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.747 8.242 5.948 1.00 0.00 H new ATOM 603 N PRO A 41 -8.840 5.923 6.386 1.00 0.00 N ATOM 604 CA PRO A 41 -9.670 5.169 7.336 1.00 0.00 C ATOM 605 C PRO A 41 -10.249 3.864 6.759 1.00 0.00 C ATOM 606 O PRO A 41 -10.731 3.020 7.516 1.00 0.00 O ATOM 607 CB PRO A 41 -10.780 6.132 7.765 1.00 0.00 C ATOM 608 CG PRO A 41 -10.939 7.057 6.564 1.00 0.00 C ATOM 609 CD PRO A 41 -9.514 7.175 6.055 1.00 0.00 C ATOM 0 HA PRO A 41 -9.062 4.835 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.706 5.602 7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.505 6.685 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.606 6.636 5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.351 8.025 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.501 7.347 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.007 8.021 6.519 1.00 0.00 H new ATOM 617 N GLU A 42 -10.186 3.666 5.439 1.00 0.00 N ATOM 618 CA GLU A 42 -10.519 2.384 4.800 1.00 0.00 C ATOM 619 C GLU A 42 -9.264 1.538 4.534 1.00 0.00 C ATOM 620 O GLU A 42 -9.270 0.331 4.775 1.00 0.00 O ATOM 621 CB GLU A 42 -11.289 2.637 3.500 1.00 0.00 C ATOM 622 CG GLU A 42 -12.722 3.106 3.780 1.00 0.00 C ATOM 623 CD GLU A 42 -13.596 3.035 2.513 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.828 1.908 2.007 1.00 0.00 O ATOM 625 OE2 GLU A 42 -14.058 4.091 2.024 1.00 0.00 O ATOM 0 H GLU A 42 -9.902 4.391 4.779 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.149 1.817 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.768 3.389 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.313 1.723 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.162 2.488 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.705 4.129 4.155 1.00 0.00 H new ATOM 632 N TYR A 43 -8.163 2.146 4.087 1.00 0.00 N ATOM 633 CA TYR A 43 -6.908 1.434 3.880 1.00 0.00 C ATOM 634 C TYR A 43 -6.332 0.857 5.191 1.00 0.00 C ATOM 635 O TYR A 43 -5.830 -0.267 5.207 1.00 0.00 O ATOM 636 CB TYR A 43 -5.928 2.383 3.190 1.00 0.00 C ATOM 637 CG TYR A 43 -4.624 1.730 2.790 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.608 0.754 1.776 1.00 0.00 C ATOM 639 CD2 TYR A 43 -3.430 2.111 3.425 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.385 0.178 1.372 1.00 0.00 C ATOM 641 CE2 TYR A 43 -2.209 1.554 3.013 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.180 0.600 1.974 1.00 0.00 C ATOM 643 OH TYR A 43 -0.989 0.106 1.553 1.00 0.00 O ATOM 0 H TYR A 43 -8.120 3.140 3.861 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.088 0.567 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.403 2.798 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.715 3.219 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.531 0.446 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.451 2.832 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.371 -0.583 0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.290 1.856 3.493 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.289 0.779 1.689 1.00 0.00 H new ATOM 653 N GLU A 44 -6.471 1.571 6.321 1.00 0.00 N ATOM 654 CA GLU A 44 -6.100 1.028 7.637 1.00 0.00 C ATOM 655 C GLU A 44 -7.006 -0.123 8.100 1.00 0.00 C ATOM 656 O GLU A 44 -6.530 -1.079 8.715 1.00 0.00 O ATOM 657 CB GLU A 44 -6.000 2.154 8.673 1.00 0.00 C ATOM 658 CG GLU A 44 -7.322 2.774 9.153 1.00 0.00 C ATOM 659 CD GLU A 44 -7.779 2.213 10.516 1.00 0.00 C ATOM 660 OE1 GLU A 44 -7.155 2.552 11.551 1.00 0.00 O ATOM 661 OE2 GLU A 44 -8.786 1.466 10.580 1.00 0.00 O ATOM 0 H GLU A 44 -6.837 2.523 6.349 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.113 0.578 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.470 1.768 9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.385 2.949 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.206 3.855 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.097 2.589 8.409 1.00 0.00 H new ATOM 668 N ALA A 45 -8.290 -0.088 7.731 1.00 0.00 N ATOM 669 CA ALA A 45 -9.222 -1.194 7.958 1.00 0.00 C ATOM 670 C ALA A 45 -8.848 -2.444 7.127 1.00 0.00 C ATOM 671 O ALA A 45 -8.935 -3.557 7.645 1.00 0.00 O ATOM 672 CB ALA A 45 -10.660 -0.730 7.701 1.00 0.00 C ATOM 0 H ALA A 45 -8.713 0.714 7.264 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.149 -1.498 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.346 -1.559 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.905 0.089 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.753 -0.389 6.670 1.00 0.00 H new ATOM 678 N ALA A 46 -8.371 -2.281 5.886 1.00 0.00 N ATOM 679 CA ALA A 46 -7.827 -3.388 5.097 1.00 0.00 C ATOM 680 C ALA A 46 -6.578 -3.996 5.754 1.00 0.00 C ATOM 681 O ALA A 46 -6.445 -5.216 5.803 1.00 0.00 O ATOM 682 CB ALA A 46 -7.532 -2.910 3.670 1.00 0.00 C ATOM 0 H ALA A 46 -8.352 -1.382 5.405 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.574 -4.180 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.127 -3.736 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.453 -2.555 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.806 -2.098 3.701 1.00 0.00 H new ATOM 688 N ALA A 47 -5.697 -3.173 6.325 1.00 0.00 N ATOM 689 CA ALA A 47 -4.514 -3.644 7.052 1.00 0.00 C ATOM 690 C ALA A 47 -4.877 -4.447 8.319 1.00 0.00 C ATOM 691 O ALA A 47 -4.187 -5.417 8.631 1.00 0.00 O ATOM 692 CB ALA A 47 -3.601 -2.453 7.361 1.00 0.00 C ATOM 0 H ALA A 47 -5.783 -2.157 6.297 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.974 -4.344 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.720 -2.800 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.292 -1.980 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.141 -1.730 7.973 1.00 0.00 H new ATOM 698 N THR A 48 -5.975 -4.106 9.006 1.00 0.00 N ATOM 699 CA THR A 48 -6.538 -4.932 10.095 1.00 0.00 C ATOM 700 C THR A 48 -7.170 -6.230 9.573 1.00 0.00 C ATOM 701 O THR A 48 -6.948 -7.299 10.144 1.00 0.00 O ATOM 702 CB THR A 48 -7.598 -4.154 10.901 1.00 0.00 C ATOM 703 OG1 THR A 48 -7.101 -2.908 11.322 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.047 -4.883 12.168 1.00 0.00 C ATOM 0 H THR A 48 -6.502 -3.251 8.827 1.00 0.00 H new ATOM 0 HA THR A 48 -5.699 -5.186 10.742 1.00 0.00 H new ATOM 0 HB THR A 48 -8.441 -4.047 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.255 -3.038 11.799 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.793 -4.282 12.688 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.480 -5.846 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.188 -5.041 12.821 1.00 0.00 H new ATOM 712 N ARG A 49 -7.924 -6.173 8.465 1.00 0.00 N ATOM 713 CA ARG A 49 -8.643 -7.329 7.875 1.00 0.00 C ATOM 714 C ARG A 49 -7.721 -8.346 7.182 1.00 0.00 C ATOM 715 O ARG A 49 -8.099 -9.510 7.041 1.00 0.00 O ATOM 716 CB ARG A 49 -9.727 -6.809 6.909 1.00 0.00 C ATOM 717 CG ARG A 49 -10.908 -6.175 7.671 1.00 0.00 C ATOM 718 CD ARG A 49 -11.849 -5.364 6.771 1.00 0.00 C ATOM 719 NE ARG A 49 -12.637 -6.214 5.852 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.471 -5.787 4.923 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.696 -4.529 4.688 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.123 -6.617 4.169 1.00 0.00 N ATOM 0 H ARG A 49 -8.058 -5.310 7.939 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.104 -7.879 8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.291 -6.072 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.090 -7.631 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.478 -6.963 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.518 -5.526 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.529 -4.783 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.264 -4.653 6.189 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.525 -7.224 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.216 -3.814 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.352 -4.256 3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.996 -7.622 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.763 -6.265 3.457 1.00 0.00 H new ATOM 736 N LEU A 50 -6.511 -7.927 6.806 1.00 0.00 N ATOM 737 CA LEU A 50 -5.464 -8.730 6.156 1.00 0.00 C ATOM 738 C LEU A 50 -4.205 -8.882 7.042 1.00 0.00 C ATOM 739 O LEU A 50 -3.135 -9.251 6.552 1.00 0.00 O ATOM 740 CB LEU A 50 -5.130 -8.107 4.780 1.00 0.00 C ATOM 741 CG LEU A 50 -6.314 -7.956 3.806 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.818 -7.349 2.499 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.001 -9.286 3.481 1.00 0.00 C ATOM 0 H LEU A 50 -6.215 -6.962 6.954 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.842 -9.741 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.692 -7.123 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.366 -8.719 4.301 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.043 -7.314 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.654 -7.241 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.381 -6.370 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.064 -8.001 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.826 -9.110 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.282 -9.964 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.385 -9.731 4.399 1.00 0.00 H new ATOM 755 N LYS A 51 -4.307 -8.590 8.347 1.00 0.00 N ATOM 756 CA LYS A 51 -3.199 -8.651 9.314 1.00 0.00 C ATOM 757 C LYS A 51 -2.601 -10.065 9.394 1.00 0.00 C ATOM 758 O LYS A 51 -3.309 -11.031 9.694 1.00 0.00 O ATOM 759 CB LYS A 51 -3.702 -8.154 10.679 1.00 0.00 C ATOM 760 CG LYS A 51 -2.561 -7.937 11.679 1.00 0.00 C ATOM 761 CD LYS A 51 -3.072 -7.177 12.913 1.00 0.00 C ATOM 762 CE LYS A 51 -1.917 -6.903 13.884 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.301 -5.893 14.901 1.00 0.00 N ATOM 0 H LYS A 51 -5.187 -8.297 8.772 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.389 -8.001 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.246 -7.219 10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.408 -8.877 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.146 -8.898 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.755 -7.376 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.529 -6.236 12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.846 -7.759 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.627 -7.830 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.047 -6.552 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.501 -5.727 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.555 -5.003 14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.116 -6.241 15.445 1.00 0.00 H new ATOM 777 N GLY A 52 -1.312 -10.187 9.076 1.00 0.00 N ATOM 778 CA GLY A 52 -0.592 -11.467 8.960 1.00 0.00 C ATOM 779 C GLY A 52 -0.800 -12.209 7.629 1.00 0.00 C ATOM 780 O GLY A 52 -0.231 -13.290 7.442 1.00 0.00 O ATOM 0 H GLY A 52 -0.719 -9.379 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.474 -11.281 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.906 -12.119 9.775 1.00 0.00 H new ATOM 784 N ILE A 53 -1.566 -11.632 6.693 1.00 0.00 N ATOM 785 CA ILE A 53 -1.911 -12.212 5.381 1.00 0.00 C ATOM 786 C ILE A 53 -1.280 -11.394 4.243 1.00 0.00 C ATOM 787 O ILE A 53 -0.768 -11.979 3.286 1.00 0.00 O ATOM 788 CB ILE A 53 -3.452 -12.304 5.200 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.217 -12.886 6.411 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.804 -13.110 3.937 1.00 0.00 C ATOM 791 CD1 ILE A 53 -3.828 -14.313 6.814 1.00 0.00 C ATOM 0 H ILE A 53 -1.981 -10.711 6.832 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.506 -13.223 5.343 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.782 -11.270 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.060 -12.230 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.284 -12.868 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.887 -13.162 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.375 -12.621 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.399 -14.118 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.423 -14.624 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.013 -14.990 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.770 -14.341 7.077 1.00 0.00 H new ATOM 803 N VAL A 54 -1.248 -10.057 4.368 1.00 0.00 N ATOM 804 CA VAL A 54 -0.544 -9.123 3.462 1.00 0.00 C ATOM 805 C VAL A 54 0.013 -7.935 4.269 1.00 0.00 C ATOM 806 O VAL A 54 -0.760 -7.294 4.988 1.00 0.00 O ATOM 807 CB VAL A 54 -1.469 -8.547 2.362 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.660 -7.800 1.288 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.294 -9.609 1.634 1.00 0.00 C ATOM 0 H VAL A 54 -1.728 -9.576 5.129 1.00 0.00 H new ATOM 0 HA VAL A 54 0.252 -9.696 2.986 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.142 -7.877 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.337 -7.407 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.116 -6.976 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.047 -8.486 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.917 -9.131 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.625 -10.323 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.928 -10.131 2.350 1.00 0.00 H new ATOM 819 N PRO A 55 1.313 -7.590 4.168 1.00 0.00 N ATOM 820 CA PRO A 55 1.845 -6.351 4.728 1.00 0.00 C ATOM 821 C PRO A 55 1.352 -5.148 3.903 1.00 0.00 C ATOM 822 O PRO A 55 1.613 -5.051 2.701 1.00 0.00 O ATOM 823 CB PRO A 55 3.370 -6.494 4.697 1.00 0.00 C ATOM 824 CG PRO A 55 3.624 -7.464 3.541 1.00 0.00 C ATOM 825 CD PRO A 55 2.370 -8.336 3.500 1.00 0.00 C ATOM 0 HA PRO A 55 1.507 -6.176 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.858 -5.534 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.754 -6.885 5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.770 -6.933 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.519 -8.062 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.091 -8.563 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.546 -9.288 4.000 1.00 0.00 H new ATOM 833 N LEU A 56 0.635 -4.235 4.564 1.00 0.00 N ATOM 834 CA LEU A 56 0.190 -2.955 3.999 1.00 0.00 C ATOM 835 C LEU A 56 1.017 -1.807 4.597 1.00 0.00 C ATOM 836 O LEU A 56 1.391 -1.842 5.770 1.00 0.00 O ATOM 837 CB LEU A 56 -1.313 -2.747 4.275 1.00 0.00 C ATOM 838 CG LEU A 56 -2.221 -3.162 3.102 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.195 -4.667 2.837 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.666 -2.758 3.389 1.00 0.00 C ATOM 0 H LEU A 56 0.340 -4.367 5.531 1.00 0.00 H new ATOM 0 HA LEU A 56 0.341 -2.967 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.593 -3.318 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.489 -1.696 4.505 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.835 -2.650 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.853 -4.900 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.178 -4.977 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.535 -5.199 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.300 -3.056 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.008 -3.252 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.722 -1.677 3.520 1.00 0.00 H new ATOM 852 N ALA A 57 1.272 -0.774 3.797 1.00 0.00 N ATOM 853 CA ALA A 57 2.148 0.337 4.155 1.00 0.00 C ATOM 854 C ALA A 57 1.710 1.665 3.529 1.00 0.00 C ATOM 855 O ALA A 57 0.915 1.670 2.589 1.00 0.00 O ATOM 856 CB ALA A 57 3.569 -0.007 3.691 1.00 0.00 C ATOM 0 H ALA A 57 0.868 -0.685 2.865 1.00 0.00 H new ATOM 0 HA ALA A 57 2.103 0.471 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.243 0.810 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.901 -0.921 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.573 -0.155 2.611 1.00 0.00 H new ATOM 862 N LYS A 58 2.266 2.791 3.987 1.00 0.00 N ATOM 863 CA LYS A 58 2.098 4.103 3.342 1.00 0.00 C ATOM 864 C LYS A 58 3.375 4.950 3.398 1.00 0.00 C ATOM 865 O LYS A 58 4.163 4.811 4.333 1.00 0.00 O ATOM 866 CB LYS A 58 0.863 4.835 3.910 1.00 0.00 C ATOM 867 CG LYS A 58 0.985 5.251 5.381 1.00 0.00 C ATOM 868 CD LYS A 58 -0.268 6.020 5.825 1.00 0.00 C ATOM 869 CE LYS A 58 -0.112 6.503 7.272 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.250 7.363 7.695 1.00 0.00 N ATOM 0 H LYS A 58 2.851 2.821 4.822 1.00 0.00 H new ATOM 0 HA LYS A 58 1.913 3.933 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.677 5.725 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.008 4.189 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.118 4.368 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.869 5.874 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.432 6.872 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.145 5.379 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.041 5.642 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.820 7.060 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.107 7.669 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.303 8.198 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.137 6.824 7.625 1.00 0.00 H new ATOM 884 N VAL A 59 3.572 5.815 2.400 1.00 0.00 N ATOM 885 CA VAL A 59 4.800 6.620 2.216 1.00 0.00 C ATOM 886 C VAL A 59 4.466 8.059 1.804 1.00 0.00 C ATOM 887 O VAL A 59 3.730 8.299 0.845 1.00 0.00 O ATOM 888 CB VAL A 59 5.741 5.986 1.169 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.997 6.839 0.919 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.242 4.602 1.613 1.00 0.00 C ATOM 0 H VAL A 59 2.872 5.985 1.678 1.00 0.00 H new ATOM 0 HA VAL A 59 5.312 6.639 3.178 1.00 0.00 H new ATOM 0 HB VAL A 59 5.141 5.913 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.626 6.350 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.702 7.823 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.554 6.949 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.901 4.191 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.789 4.697 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.391 3.936 1.755 1.00 0.00 H new ATOM 900 N ASP A 60 5.023 9.030 2.525 1.00 0.00 N ATOM 901 CA ASP A 60 4.906 10.457 2.219 1.00 0.00 C ATOM 902 C ASP A 60 5.698 10.836 0.946 1.00 0.00 C ATOM 903 O ASP A 60 6.927 10.958 0.988 1.00 0.00 O ATOM 904 CB ASP A 60 5.425 11.270 3.420 1.00 0.00 C ATOM 905 CG ASP A 60 4.487 11.226 4.636 1.00 0.00 C ATOM 906 OD1 ASP A 60 3.532 12.036 4.685 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.743 10.419 5.564 1.00 0.00 O ATOM 0 H ASP A 60 5.582 8.844 3.358 1.00 0.00 H new ATOM 0 HA ASP A 60 3.857 10.685 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.404 10.889 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.564 12.307 3.115 1.00 0.00 H new ATOM 912 N CYS A 61 5.012 11.093 -0.173 1.00 0.00 N ATOM 913 CA CYS A 61 5.613 11.669 -1.385 1.00 0.00 C ATOM 914 C CYS A 61 6.292 13.025 -1.120 1.00 0.00 C ATOM 915 O CYS A 61 7.381 13.286 -1.628 1.00 0.00 O ATOM 916 CB CYS A 61 4.512 11.837 -2.444 1.00 0.00 C ATOM 917 SG CYS A 61 5.050 12.709 -3.944 1.00 0.00 S ATOM 0 H CYS A 61 4.014 10.906 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 61 6.390 10.989 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.139 10.852 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.677 12.380 -2.001 1.00 0.00 H new ATOM 922 N THR A 62 5.676 13.894 -0.303 1.00 0.00 N ATOM 923 CA THR A 62 6.247 15.221 0.017 1.00 0.00 C ATOM 924 C THR A 62 7.551 15.125 0.830 1.00 0.00 C ATOM 925 O THR A 62 8.387 16.023 0.753 1.00 0.00 O ATOM 926 CB THR A 62 5.207 16.121 0.712 1.00 0.00 C ATOM 927 OG1 THR A 62 5.554 17.483 0.578 1.00 0.00 O ATOM 928 CG2 THR A 62 5.001 15.835 2.201 1.00 0.00 C ATOM 0 H THR A 62 4.782 13.706 0.150 1.00 0.00 H new ATOM 0 HA THR A 62 6.513 15.688 -0.932 1.00 0.00 H new ATOM 0 HB THR A 62 4.271 15.890 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.520 17.917 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.252 16.517 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.662 14.807 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.942 15.976 2.732 1.00 0.00 H new ATOM 936 N ALA A 63 7.727 14.044 1.603 1.00 0.00 N ATOM 937 CA ALA A 63 8.951 13.780 2.373 1.00 0.00 C ATOM 938 C ALA A 63 10.015 12.979 1.593 1.00 0.00 C ATOM 939 O ALA A 63 11.195 13.012 1.952 1.00 0.00 O ATOM 940 CB ALA A 63 8.564 13.050 3.660 1.00 0.00 C ATOM 0 H ALA A 63 7.016 13.321 1.712 1.00 0.00 H new ATOM 0 HA ALA A 63 9.417 14.740 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.460 12.845 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.885 13.673 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.071 12.110 3.411 1.00 0.00 H new ATOM 946 N ASN A 64 9.618 12.296 0.513 1.00 0.00 N ATOM 947 CA ASN A 64 10.481 11.468 -0.339 1.00 0.00 C ATOM 948 C ASN A 64 10.193 11.703 -1.828 1.00 0.00 C ATOM 949 O ASN A 64 9.718 10.841 -2.568 1.00 0.00 O ATOM 950 CB ASN A 64 10.344 9.992 -0.008 1.00 0.00 C ATOM 951 CG ASN A 64 10.695 9.634 1.424 1.00 0.00 C ATOM 952 OD1 ASN A 64 11.855 9.481 1.784 1.00 0.00 O ATOM 953 ND2 ASN A 64 9.710 9.474 2.279 1.00 0.00 N ATOM 0 H ASN A 64 8.649 12.305 0.196 1.00 0.00 H new ATOM 0 HA ASN A 64 11.508 11.770 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.318 9.682 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.985 9.421 -0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.911 9.221 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.745 9.602 1.975 1.00 0.00 H new ATOM 960 N THR A 65 10.478 12.923 -2.248 1.00 0.00 N ATOM 961 CA THR A 65 10.084 13.464 -3.569 1.00 0.00 C ATOM 962 C THR A 65 10.837 12.789 -4.710 1.00 0.00 C ATOM 963 O THR A 65 10.228 12.449 -5.723 1.00 0.00 O ATOM 964 CB THR A 65 10.302 14.986 -3.623 1.00 0.00 C ATOM 965 OG1 THR A 65 9.805 15.597 -2.446 1.00 0.00 O ATOM 966 CG2 THR A 65 9.584 15.640 -4.805 1.00 0.00 C ATOM 0 H THR A 65 11.000 13.591 -1.681 1.00 0.00 H new ATOM 0 HA THR A 65 9.023 13.251 -3.697 1.00 0.00 H new ATOM 0 HB THR A 65 11.377 15.132 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.952 16.565 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.771 16.714 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.956 15.215 -5.737 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.512 15.458 -4.726 1.00 0.00 H new ATOM 974 N ASN A 66 12.131 12.513 -4.526 1.00 0.00 N ATOM 975 CA ASN A 66 12.940 11.780 -5.506 1.00 0.00 C ATOM 976 C ASN A 66 12.412 10.354 -5.720 1.00 0.00 C ATOM 977 O ASN A 66 12.219 9.940 -6.868 1.00 0.00 O ATOM 978 CB ASN A 66 14.405 11.775 -5.036 1.00 0.00 C ATOM 979 CG ASN A 66 15.063 13.144 -5.125 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.891 13.892 -6.076 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.838 13.530 -4.134 1.00 0.00 N ATOM 0 H ASN A 66 12.649 12.792 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 66 12.874 12.281 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.449 11.423 -4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.972 11.066 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.288 14.445 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.989 12.914 -3.335 1.00 0.00 H new ATOM 988 N THR A 67 12.091 9.632 -4.641 1.00 0.00 N ATOM 989 CA THR A 67 11.437 8.306 -4.701 1.00 0.00 C ATOM 990 C THR A 67 10.075 8.404 -5.396 1.00 0.00 C ATOM 991 O THR A 67 9.778 7.627 -6.295 1.00 0.00 O ATOM 992 CB THR A 67 11.246 7.719 -3.288 1.00 0.00 C ATOM 993 OG1 THR A 67 12.447 7.821 -2.542 1.00 0.00 O ATOM 994 CG2 THR A 67 10.830 6.250 -3.307 1.00 0.00 C ATOM 0 H THR A 67 12.277 9.948 -3.689 1.00 0.00 H new ATOM 0 HA THR A 67 12.087 7.646 -5.275 1.00 0.00 H new ATOM 0 HB THR A 67 10.448 8.301 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.309 7.446 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.711 5.892 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.885 6.146 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.597 5.661 -3.810 1.00 0.00 H new ATOM 1002 N CYS A 68 9.271 9.408 -5.037 1.00 0.00 N ATOM 1003 CA CYS A 68 7.927 9.635 -5.571 1.00 0.00 C ATOM 1004 C CYS A 68 7.938 9.877 -7.095 1.00 0.00 C ATOM 1005 O CYS A 68 7.131 9.305 -7.833 1.00 0.00 O ATOM 1006 CB CYS A 68 7.322 10.806 -4.783 1.00 0.00 C ATOM 1007 SG CYS A 68 5.617 11.231 -5.207 1.00 0.00 S ATOM 0 H CYS A 68 9.546 10.106 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 68 7.309 8.746 -5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.365 10.567 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.946 11.686 -4.937 1.00 0.00 H new ATOM 1012 N ASN A 69 8.891 10.677 -7.594 1.00 0.00 N ATOM 1013 CA ASN A 69 9.005 11.006 -9.021 1.00 0.00 C ATOM 1014 C ASN A 69 9.660 9.870 -9.820 1.00 0.00 C ATOM 1015 O ASN A 69 9.240 9.593 -10.948 1.00 0.00 O ATOM 1016 CB ASN A 69 9.760 12.338 -9.197 1.00 0.00 C ATOM 1017 CG ASN A 69 8.869 13.533 -8.888 1.00 0.00 C ATOM 1018 OD1 ASN A 69 8.521 14.335 -9.745 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.449 13.663 -7.649 1.00 0.00 N ATOM 0 H ASN A 69 9.608 11.116 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 69 8.000 11.125 -9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.630 12.353 -8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.130 12.414 -10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.831 14.434 -7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.742 12.992 -6.938 1.00 0.00 H new ATOM 1026 N LYS A 70 10.622 9.152 -9.225 1.00 0.00 N ATOM 1027 CA LYS A 70 11.182 7.907 -9.782 1.00 0.00 C ATOM 1028 C LYS A 70 10.116 6.812 -9.937 1.00 0.00 C ATOM 1029 O LYS A 70 10.205 6.004 -10.864 1.00 0.00 O ATOM 1030 CB LYS A 70 12.350 7.444 -8.886 1.00 0.00 C ATOM 1031 CG LYS A 70 13.103 6.222 -9.439 1.00 0.00 C ATOM 1032 CD LYS A 70 14.322 5.882 -8.569 1.00 0.00 C ATOM 1033 CE LYS A 70 15.069 4.689 -9.168 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.254 4.319 -8.344 1.00 0.00 N ATOM 0 H LYS A 70 11.040 9.420 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 70 11.554 8.105 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.052 8.269 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.964 7.205 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.431 5.365 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.426 6.422 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.986 6.744 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.002 5.650 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.395 3.836 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.390 4.930 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.738 3.507 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.908 5.126 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.944 4.065 -7.384 1.00 0.00 H new ATOM 1048 N TYR A 71 9.097 6.802 -9.070 1.00 0.00 N ATOM 1049 CA TYR A 71 8.065 5.747 -9.052 1.00 0.00 C ATOM 1050 C TYR A 71 6.867 6.076 -9.959 1.00 0.00 C ATOM 1051 O TYR A 71 6.041 5.208 -10.252 1.00 0.00 O ATOM 1052 CB TYR A 71 7.607 5.489 -7.602 1.00 0.00 C ATOM 1053 CG TYR A 71 8.530 4.658 -6.720 1.00 0.00 C ATOM 1054 CD1 TYR A 71 9.915 4.563 -6.965 1.00 0.00 C ATOM 1055 CD2 TYR A 71 7.968 3.968 -5.628 1.00 0.00 C ATOM 1056 CE1 TYR A 71 10.737 3.793 -6.121 1.00 0.00 C ATOM 1057 CE2 TYR A 71 8.787 3.206 -4.773 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.171 3.117 -5.018 1.00 0.00 C ATOM 1059 OH TYR A 71 10.968 2.387 -4.194 1.00 0.00 O ATOM 0 H TYR A 71 8.960 7.522 -8.360 1.00 0.00 H new ATOM 0 HA TYR A 71 8.514 4.839 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.456 6.454 -7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.636 4.994 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.348 5.084 -7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.905 4.024 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.797 3.719 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.354 2.690 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 71 10.424 1.986 -3.484 1.00 0.00 H new ATOM 1069 N GLY A 72 6.771 7.325 -10.415 1.00 0.00 N ATOM 1070 CA GLY A 72 5.702 7.808 -11.297 1.00 0.00 C ATOM 1071 C GLY A 72 4.448 8.255 -10.538 1.00 0.00 C ATOM 1072 O GLY A 72 3.360 8.313 -11.113 1.00 0.00 O ATOM 0 H GLY A 72 7.450 8.048 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.078 8.643 -11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.432 7.017 -11.997 1.00 0.00 H new ATOM 1076 N VAL A 73 4.584 8.566 -9.242 1.00 0.00 N ATOM 1077 CA VAL A 73 3.521 9.063 -8.354 1.00 0.00 C ATOM 1078 C VAL A 73 3.322 10.577 -8.600 1.00 0.00 C ATOM 1079 O VAL A 73 3.544 11.425 -7.740 1.00 0.00 O ATOM 1080 CB VAL A 73 3.821 8.693 -6.883 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.717 9.099 -5.893 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.025 7.181 -6.707 1.00 0.00 C ATOM 0 H VAL A 73 5.479 8.474 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 73 2.571 8.579 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 73 4.729 9.253 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.006 8.803 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.576 10.179 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.785 8.602 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.234 6.961 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.122 6.654 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.864 6.853 -7.321 1.00 0.00 H new ATOM 1092 N SER A 74 2.929 10.924 -9.825 1.00 0.00 N ATOM 1093 CA SER A 74 2.602 12.297 -10.257 1.00 0.00 C ATOM 1094 C SER A 74 1.410 12.944 -9.511 1.00 0.00 C ATOM 1095 O SER A 74 1.162 14.141 -9.656 1.00 0.00 O ATOM 1096 CB SER A 74 2.329 12.318 -11.766 1.00 0.00 C ATOM 1097 OG SER A 74 3.440 11.803 -12.486 1.00 0.00 O ATOM 0 H SER A 74 2.824 10.240 -10.574 1.00 0.00 H new ATOM 0 HA SER A 74 3.476 12.897 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.440 11.727 -11.988 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.122 13.338 -12.089 1.00 0.00 H new ATOM 0 HG SER A 74 3.245 11.823 -13.446 1.00 0.00 H new ATOM 1103 N GLY A 75 0.678 12.171 -8.704 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.396 12.573 -7.807 1.00 0.00 C ATOM 1105 C GLY A 75 -0.711 11.430 -6.832 1.00 0.00 C ATOM 1106 O GLY A 75 -0.122 10.347 -6.915 1.00 0.00 O ATOM 0 H GLY A 75 0.839 11.165 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.106 13.466 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.286 12.829 -8.382 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.621 11.678 -5.899 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.983 10.770 -4.794 1.00 0.00 C ATOM 1112 C TYR A 76 -3.445 10.965 -4.316 1.00 0.00 C ATOM 1113 O TYR A 76 -4.039 12.017 -4.600 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.947 10.912 -3.653 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.320 12.283 -3.458 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.005 13.285 -2.746 1.00 0.00 C ATOM 1117 CD2 TYR A 76 0.951 12.551 -4.006 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.426 14.558 -2.586 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.530 13.826 -3.857 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.845 14.835 -3.142 1.00 0.00 C ATOM 1121 OH TYR A 76 1.395 16.072 -2.988 1.00 0.00 O ATOM 0 H TYR A 76 -2.153 12.548 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.948 9.744 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.430 10.624 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.146 10.195 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.976 13.077 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.481 11.777 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.953 15.325 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.498 14.033 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 76 2.270 16.098 -3.428 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.056 9.991 -3.594 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.481 8.715 -3.145 1.00 0.00 C ATOM 1133 C PRO A 77 -3.204 7.735 -4.293 1.00 0.00 C ATOM 1134 O PRO A 77 -4.019 7.565 -5.208 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.487 8.126 -2.152 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.826 8.712 -2.599 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.449 10.084 -3.167 1.00 0.00 C ATOM 0 HA PRO A 77 -2.506 8.889 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.495 7.037 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.249 8.408 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.307 8.086 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.523 8.801 -1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.094 10.347 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.572 10.862 -2.414 1.00 0.00 H new ATOM 1145 N THR A 78 -2.056 7.059 -4.224 1.00 0.00 N ATOM 1146 CA THR A 78 -1.539 6.183 -5.290 1.00 0.00 C ATOM 1147 C THR A 78 -1.016 4.881 -4.699 1.00 0.00 C ATOM 1148 O THR A 78 0.003 4.865 -4.009 1.00 0.00 O ATOM 1149 CB THR A 78 -0.478 6.906 -6.125 1.00 0.00 C ATOM 1150 OG1 THR A 78 -1.150 7.879 -6.890 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.239 6.000 -7.130 1.00 0.00 C ATOM 0 H THR A 78 -1.443 7.103 -3.410 1.00 0.00 H new ATOM 0 HA THR A 78 -2.356 5.931 -5.966 1.00 0.00 H new ATOM 0 HB THR A 78 0.265 7.301 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.561 8.650 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.975 6.582 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.741 5.192 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.488 5.580 -7.825 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.751 3.791 -4.939 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.422 2.470 -4.407 1.00 0.00 C ATOM 1161 C LEU A 79 -0.555 1.666 -5.391 1.00 0.00 C ATOM 1162 O LEU A 79 -0.843 1.616 -6.591 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.711 1.715 -4.039 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.435 2.271 -2.795 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.449 3.369 -3.131 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.189 1.151 -2.077 1.00 0.00 C ATOM 0 H LEU A 79 -2.595 3.803 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.830 2.600 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.394 1.748 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.468 0.667 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.656 2.698 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.924 3.718 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.937 4.201 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.208 2.970 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.695 1.557 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.925 0.716 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.484 0.380 -1.764 1.00 0.00 H new ATOM 1178 N LYS A 80 0.484 0.999 -4.873 1.00 0.00 N ATOM 1179 CA LYS A 80 1.484 0.231 -5.637 1.00 0.00 C ATOM 1180 C LYS A 80 1.822 -1.105 -4.972 1.00 0.00 C ATOM 1181 O LYS A 80 1.766 -1.243 -3.752 1.00 0.00 O ATOM 1182 CB LYS A 80 2.755 1.079 -5.799 1.00 0.00 C ATOM 1183 CG LYS A 80 2.598 2.161 -6.879 1.00 0.00 C ATOM 1184 CD LYS A 80 3.876 3.002 -6.996 1.00 0.00 C ATOM 1185 CE LYS A 80 3.927 3.747 -8.337 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.367 2.858 -9.447 1.00 0.00 N ATOM 0 H LYS A 80 0.661 0.977 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 80 1.058 0.001 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.998 1.551 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.592 0.430 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.375 1.694 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.754 2.806 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.919 3.719 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.749 2.357 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.941 4.153 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.609 4.593 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.276 3.362 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.360 2.586 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.773 2.004 -9.464 1.00 0.00 H new ATOM 1200 N ILE A 81 2.216 -2.069 -5.806 1.00 0.00 N ATOM 1201 CA ILE A 81 2.503 -3.462 -5.441 1.00 0.00 C ATOM 1202 C ILE A 81 3.975 -3.762 -5.720 1.00 0.00 C ATOM 1203 O ILE A 81 4.512 -3.417 -6.774 1.00 0.00 O ATOM 1204 CB ILE A 81 1.601 -4.411 -6.264 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.126 -4.242 -5.845 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.019 -5.886 -6.111 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.848 -4.871 -6.844 1.00 0.00 C ATOM 0 H ILE A 81 2.351 -1.894 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 81 2.300 -3.615 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 81 1.719 -4.139 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.023 -4.695 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.099 -3.180 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.358 -6.515 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.046 -6.011 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.950 -6.177 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.871 -4.722 -6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.723 -4.401 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.645 -5.939 -6.927 1.00 0.00 H new ATOM 1219 N PHE A 82 4.600 -4.487 -4.796 1.00 0.00 N ATOM 1220 CA PHE A 82 5.999 -4.910 -4.876 1.00 0.00 C ATOM 1221 C PHE A 82 6.125 -6.417 -4.624 1.00 0.00 C ATOM 1222 O PHE A 82 6.300 -6.874 -3.490 1.00 0.00 O ATOM 1223 CB PHE A 82 6.875 -4.088 -3.920 1.00 0.00 C ATOM 1224 CG PHE A 82 6.941 -2.614 -4.258 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.863 -1.757 -3.957 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.065 -2.108 -4.933 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.898 -0.412 -4.369 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.108 -0.757 -5.322 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.020 0.088 -5.056 1.00 0.00 C ATOM 0 H PHE A 82 4.136 -4.807 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 82 6.363 -4.720 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.492 -4.201 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.885 -4.497 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.011 -2.133 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.898 -2.759 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.062 0.238 -4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.981 -0.369 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.043 1.119 -5.377 1.00 0.00 H new ATOM 1239 N ARG A 83 5.981 -7.193 -5.700 1.00 0.00 N ATOM 1240 CA ARG A 83 6.088 -8.665 -5.700 1.00 0.00 C ATOM 1241 C ARG A 83 7.522 -9.095 -5.387 1.00 0.00 C ATOM 1242 O ARG A 83 8.469 -8.698 -6.066 1.00 0.00 O ATOM 1243 CB ARG A 83 5.576 -9.225 -7.036 1.00 0.00 C ATOM 1244 CG ARG A 83 5.440 -10.755 -6.990 1.00 0.00 C ATOM 1245 CD ARG A 83 4.777 -11.314 -8.259 1.00 0.00 C ATOM 1246 NE ARG A 83 5.595 -11.105 -9.468 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.596 -11.855 -9.897 1.00 0.00 C ATOM 1248 NH1 ARG A 83 7.017 -12.904 -9.242 1.00 0.00 N ATOM 1249 NH2 ARG A 83 7.208 -11.566 -11.012 1.00 0.00 N ATOM 0 H ARG A 83 5.781 -6.810 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 83 5.459 -9.081 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.610 -8.780 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.261 -8.943 -7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.426 -11.203 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.851 -11.040 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.594 -12.381 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.806 -10.839 -8.396 1.00 0.00 H new ATOM 0 HE ARG A 83 5.363 -10.291 -10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.570 -13.171 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.793 -13.456 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.915 -10.757 -11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.979 -12.149 -11.336 1.00 0.00 H new ATOM 1263 N ASP A 84 7.673 -9.894 -4.330 1.00 0.00 N ATOM 1264 CA ASP A 84 8.954 -10.271 -3.707 1.00 0.00 C ATOM 1265 C ASP A 84 9.949 -9.088 -3.542 1.00 0.00 C ATOM 1266 O ASP A 84 11.158 -9.233 -3.734 1.00 0.00 O ATOM 1267 CB ASP A 84 9.532 -11.498 -4.430 1.00 0.00 C ATOM 1268 CG ASP A 84 10.659 -12.172 -3.629 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.545 -12.293 -2.382 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.648 -12.636 -4.248 1.00 0.00 O ATOM 0 H ASP A 84 6.873 -10.318 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 84 8.761 -10.558 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.735 -12.220 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.913 -11.196 -5.405 1.00 0.00 H new ATOM 1275 N GLY A 85 9.421 -7.900 -3.217 1.00 0.00 N ATOM 1276 CA GLY A 85 10.218 -6.709 -2.891 1.00 0.00 C ATOM 1277 C GLY A 85 10.678 -5.882 -4.105 1.00 0.00 C ATOM 1278 O GLY A 85 11.642 -5.123 -4.006 1.00 0.00 O ATOM 0 H GLY A 85 8.415 -7.737 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.632 -6.067 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.098 -7.022 -2.329 1.00 0.00 H new ATOM 1282 N GLU A 86 10.008 -6.029 -5.249 1.00 0.00 N ATOM 1283 CA GLU A 86 10.347 -5.371 -6.524 1.00 0.00 C ATOM 1284 C GLU A 86 9.055 -4.934 -7.223 1.00 0.00 C ATOM 1285 O GLU A 86 8.063 -5.665 -7.208 1.00 0.00 O ATOM 1286 CB GLU A 86 11.130 -6.324 -7.446 1.00 0.00 C ATOM 1287 CG GLU A 86 12.475 -6.793 -6.859 1.00 0.00 C ATOM 1288 CD GLU A 86 13.331 -7.575 -7.873 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.787 -8.303 -8.741 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.581 -7.483 -7.805 1.00 0.00 O ATOM 0 H GLU A 86 9.186 -6.628 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 86 10.974 -4.505 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.513 -7.197 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.314 -5.824 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.036 -5.926 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.286 -7.422 -5.989 1.00 0.00 H new ATOM 1297 N GLU A 87 9.038 -3.727 -7.793 1.00 0.00 N ATOM 1298 CA GLU A 87 7.825 -3.094 -8.335 1.00 0.00 C ATOM 1299 C GLU A 87 7.138 -3.971 -9.403 1.00 0.00 C ATOM 1300 O GLU A 87 7.641 -4.121 -10.523 1.00 0.00 O ATOM 1301 CB GLU A 87 8.170 -1.697 -8.878 1.00 0.00 C ATOM 1302 CG GLU A 87 6.922 -0.916 -9.311 1.00 0.00 C ATOM 1303 CD GLU A 87 7.277 0.503 -9.786 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.038 0.643 -10.775 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.763 1.488 -9.199 1.00 0.00 O ATOM 0 H GLU A 87 9.874 -3.152 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 87 7.103 -2.986 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.701 -1.133 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.846 -1.796 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.417 -1.453 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.222 -0.857 -8.477 1.00 0.00 H new ATOM 1312 N ALA A 88 5.978 -4.538 -9.056 1.00 0.00 N ATOM 1313 CA ALA A 88 5.105 -5.218 -10.009 1.00 0.00 C ATOM 1314 C ALA A 88 4.466 -4.179 -10.944 1.00 0.00 C ATOM 1315 O ALA A 88 4.376 -4.395 -12.157 1.00 0.00 O ATOM 1316 CB ALA A 88 4.059 -6.031 -9.232 1.00 0.00 C ATOM 0 H ALA A 88 5.620 -4.536 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 88 5.670 -5.911 -10.632 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.401 -6.543 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.563 -6.766 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.470 -5.361 -8.605 1.00 0.00 H new ATOM 1322 N GLY A 89 4.064 -3.029 -10.382 1.00 0.00 N ATOM 1323 CA GLY A 89 3.665 -1.848 -11.166 1.00 0.00 C ATOM 1324 C GLY A 89 2.817 -0.838 -10.401 1.00 0.00 C ATOM 1325 O GLY A 89 3.301 0.207 -9.960 1.00 0.00 O ATOM 0 H GLY A 89 4.006 -2.891 -9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.563 -1.348 -11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.109 -2.180 -12.042 1.00 0.00 H new ATOM 1329 N ALA A 90 1.543 -1.178 -10.237 1.00 0.00 N ATOM 1330 CA ALA A 90 0.515 -0.387 -9.567 1.00 0.00 C ATOM 1331 C ALA A 90 -0.650 -1.289 -9.125 1.00 0.00 C ATOM 1332 O ALA A 90 -0.885 -2.342 -9.722 1.00 0.00 O ATOM 1333 CB ALA A 90 0.019 0.694 -10.538 1.00 0.00 C ATOM 0 H ALA A 90 1.179 -2.064 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 90 0.932 0.083 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.750 1.294 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.852 1.335 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.398 0.221 -11.427 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.410 -0.862 -8.107 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.659 -1.537 -7.724 1.00 0.00 C ATOM 1341 C TYR A 91 -3.765 -1.396 -8.783 1.00 0.00 C ATOM 1342 O TYR A 91 -4.558 -2.314 -9.001 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.099 -1.025 -6.345 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.367 -1.666 -5.822 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.326 -2.932 -5.205 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.602 -1.013 -5.998 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.515 -3.559 -4.782 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.787 -1.643 -5.586 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.755 -2.916 -4.993 1.00 0.00 C ATOM 1350 OH TYR A 91 -7.929 -3.510 -4.645 1.00 0.00 O ATOM 0 H TYR A 91 -1.181 -0.051 -7.533 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.469 -2.609 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.295 -1.201 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.246 0.054 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.377 -3.425 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.637 -0.032 -6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.478 -4.525 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.734 -1.143 -5.727 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.675 -2.914 -4.866 1.00 0.00 H new ATOM 1360 N ASP A 92 -3.735 -0.258 -9.472 1.00 0.00 N ATOM 1361 CA ASP A 92 -4.572 0.151 -10.617 1.00 0.00 C ATOM 1362 C ASP A 92 -6.031 -0.371 -10.560 1.00 0.00 C ATOM 1363 O ASP A 92 -6.496 -1.118 -11.429 1.00 0.00 O ATOM 1364 CB ASP A 92 -3.851 -0.207 -11.928 1.00 0.00 C ATOM 1365 CG ASP A 92 -4.528 0.393 -13.175 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -5.049 1.533 -13.107 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -4.519 -0.263 -14.247 1.00 0.00 O ATOM 0 H ASP A 92 -3.067 0.473 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.693 1.233 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.821 0.145 -11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.812 -1.292 -12.030 1.00 0.00 H new ATOM 1372 N GLY A 93 -6.735 -0.010 -9.481 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.043 -0.560 -9.123 1.00 0.00 C ATOM 1374 C GLY A 93 -8.835 0.299 -8.117 1.00 0.00 C ATOM 1375 O GLY A 93 -8.596 1.510 -8.033 1.00 0.00 O ATOM 0 H GLY A 93 -6.401 0.690 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.636 -0.677 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.903 -1.556 -8.703 1.00 0.00 H new ATOM 1379 N PRO A 94 -9.806 -0.297 -7.391 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.633 0.370 -6.377 1.00 0.00 C ATOM 1381 C PRO A 94 -9.883 1.201 -5.320 1.00 0.00 C ATOM 1382 O PRO A 94 -8.688 1.024 -5.062 1.00 0.00 O ATOM 1383 CB PRO A 94 -11.405 -0.765 -5.690 1.00 0.00 C ATOM 1384 CG PRO A 94 -11.526 -1.831 -6.770 1.00 0.00 C ATOM 1385 CD PRO A 94 -10.211 -1.693 -7.531 1.00 0.00 C ATOM 0 HA PRO A 94 -11.254 1.111 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.871 -1.140 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.384 -0.431 -5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.644 -2.827 -6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.387 -1.657 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.453 -2.361 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.338 -1.958 -8.580 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.644 2.050 -4.619 1.00 0.00 N ATOM 1394 CA ARG A 95 -10.197 2.848 -3.465 1.00 0.00 C ATOM 1395 C ARG A 95 -11.173 2.667 -2.294 1.00 0.00 C ATOM 1396 O ARG A 95 -11.819 3.613 -1.836 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.953 4.316 -3.875 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.650 4.490 -4.671 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.421 5.969 -5.012 1.00 0.00 C ATOM 1400 NE ARG A 95 -7.102 6.207 -5.642 1.00 0.00 N ATOM 1401 CZ ARG A 95 -6.815 6.156 -6.930 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.672 5.746 -7.826 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -5.640 6.523 -7.351 1.00 0.00 N ATOM 0 H ARG A 95 -11.626 2.208 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.231 2.488 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.792 4.668 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.916 4.939 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.809 4.110 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.696 3.902 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.208 6.310 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.499 6.565 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.332 6.435 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.605 5.449 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.408 5.723 -8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.939 6.851 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.419 6.483 -8.346 1.00 0.00 H new ATOM 1417 N THR A 96 -11.293 1.419 -1.835 1.00 0.00 N ATOM 1418 CA THR A 96 -12.082 0.978 -0.669 1.00 0.00 C ATOM 1419 C THR A 96 -11.413 -0.212 0.030 1.00 0.00 C ATOM 1420 O THR A 96 -10.744 -1.016 -0.621 1.00 0.00 O ATOM 1421 CB THR A 96 -13.511 0.540 -1.069 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.475 -0.503 -2.021 1.00 0.00 O ATOM 1423 CG2 THR A 96 -14.355 1.666 -1.666 1.00 0.00 C ATOM 0 H THR A 96 -10.817 0.640 -2.289 1.00 0.00 H new ATOM 0 HA THR A 96 -12.136 1.836 0.001 1.00 0.00 H new ATOM 0 HB THR A 96 -13.971 0.214 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.390 -0.763 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.343 1.284 -1.922 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.455 2.471 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.870 2.047 -2.564 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.629 -0.374 1.344 1.00 0.00 N ATOM 1432 CA ALA A 97 -11.147 -1.527 2.117 1.00 0.00 C ATOM 1433 C ALA A 97 -11.574 -2.876 1.514 1.00 0.00 C ATOM 1434 O ALA A 97 -10.766 -3.797 1.387 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.685 -1.416 3.550 1.00 0.00 C ATOM 0 H ALA A 97 -12.149 0.300 1.906 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.057 -1.504 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.335 -2.266 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.327 -0.491 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.775 -1.413 3.530 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.843 -2.971 1.111 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.425 -4.173 0.510 1.00 0.00 C ATOM 1443 C ASP A 98 -12.770 -4.527 -0.833 1.00 0.00 C ATOM 1444 O ASP A 98 -12.624 -5.706 -1.153 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.940 -3.983 0.333 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.680 -3.871 1.675 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.520 -4.766 2.542 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.423 -2.881 1.875 1.00 0.00 O ATOM 0 H ASP A 98 -13.507 -2.201 1.195 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.236 -5.007 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.124 -3.084 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.345 -4.823 -0.232 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.317 -3.522 -1.593 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.531 -3.702 -2.816 1.00 0.00 C ATOM 1455 C GLY A 99 -10.204 -4.424 -2.559 1.00 0.00 C ATOM 1456 O GLY A 99 -9.864 -5.374 -3.265 1.00 0.00 O ATOM 0 H GLY A 99 -12.491 -2.542 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.116 -4.270 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.331 -2.728 -3.262 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.479 -4.033 -1.505 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.201 -4.655 -1.129 1.00 0.00 C ATOM 1462 C ILE A 100 -8.406 -6.120 -0.719 1.00 0.00 C ATOM 1463 O ILE A 100 -7.705 -7.010 -1.204 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.493 -3.891 0.018 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.559 -2.349 -0.055 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -6.029 -4.357 0.089 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.056 -1.706 -1.358 1.00 0.00 C ATOM 0 H ILE A 100 -9.762 -3.274 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.561 -4.610 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.046 -4.138 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.594 -2.043 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.979 -1.942 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.517 -3.827 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.997 -5.429 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.533 -4.145 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.152 -0.622 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.009 -1.968 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.649 -2.071 -2.196 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.394 -6.386 0.148 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.745 -7.745 0.601 1.00 0.00 C ATOM 1481 C VAL A 101 -10.224 -8.631 -0.561 1.00 0.00 C ATOM 1482 O VAL A 101 -9.803 -9.781 -0.674 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.796 -7.685 1.732 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.166 -9.078 2.251 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.244 -6.889 2.925 1.00 0.00 C ATOM 0 H VAL A 101 -9.979 -5.659 0.560 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.841 -8.206 0.998 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.680 -7.209 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.907 -8.986 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.579 -9.672 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.275 -9.569 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.993 -6.853 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.343 -7.374 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.004 -5.875 2.606 1.00 0.00 H new ATOM 1495 N SER A 102 -11.042 -8.081 -1.462 1.00 0.00 N ATOM 1496 CA SER A 102 -11.497 -8.743 -2.696 1.00 0.00 C ATOM 1497 C SER A 102 -10.339 -9.111 -3.643 1.00 0.00 C ATOM 1498 O SER A 102 -10.289 -10.232 -4.150 1.00 0.00 O ATOM 1499 CB SER A 102 -12.504 -7.838 -3.414 1.00 0.00 C ATOM 1500 OG SER A 102 -13.042 -8.473 -4.563 1.00 0.00 O ATOM 0 H SER A 102 -11.418 -7.139 -1.354 1.00 0.00 H new ATOM 0 HA SER A 102 -11.970 -9.682 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.311 -7.575 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.017 -6.908 -3.705 1.00 0.00 H new ATOM 0 HG SER A 102 -13.682 -7.872 -4.999 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.380 -8.202 -3.849 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.168 -8.444 -4.636 1.00 0.00 C ATOM 1508 C HIS A 103 -7.297 -9.559 -4.032 1.00 0.00 C ATOM 1509 O HIS A 103 -6.755 -10.389 -4.767 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.409 -7.113 -4.736 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.998 -7.213 -5.257 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.590 -7.069 -6.564 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.870 -7.366 -4.496 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.249 -7.141 -6.593 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.758 -7.320 -5.352 1.00 0.00 N ATOM 0 H HIS A 103 -9.427 -7.258 -3.465 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.437 -8.798 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.971 -6.441 -5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.382 -6.654 -3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.841 -7.499 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.648 -7.066 -7.487 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.777 -7.405 -5.087 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.174 -9.613 -2.703 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.441 -10.667 -1.993 1.00 0.00 C ATOM 1525 C LEU A 104 -7.156 -12.030 -2.064 1.00 0.00 C ATOM 1526 O LEU A 104 -6.534 -13.034 -2.421 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.206 -10.188 -0.548 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.396 -11.114 0.383 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.241 -12.228 1.000 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.154 -11.718 -0.275 1.00 0.00 C ATOM 0 H LEU A 104 -7.586 -8.917 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.479 -10.839 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.698 -9.225 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.179 -10.015 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.059 -10.451 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.615 -12.845 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.047 -11.790 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.665 -12.845 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.637 -12.357 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.452 -12.310 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.487 -10.918 -0.596 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.456 -12.104 -1.754 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.181 -13.390 -1.668 1.00 0.00 C ATOM 1544 C LYS A 105 -9.263 -14.150 -3.004 1.00 0.00 C ATOM 1545 O LYS A 105 -9.403 -15.373 -3.009 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.549 -13.196 -0.984 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.667 -12.679 -1.898 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.957 -12.453 -1.102 1.00 0.00 C ATOM 1549 CE LYS A 105 -14.113 -12.041 -2.026 1.00 0.00 C ATOM 1550 NZ LYS A 105 -15.381 -11.861 -1.268 1.00 0.00 N ATOM 0 H LYS A 105 -9.035 -11.288 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.589 -14.050 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.862 -14.148 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.427 -12.499 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.356 -11.746 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.849 -13.395 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.222 -13.365 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.794 -11.679 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.858 -11.112 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.253 -12.800 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.140 -11.583 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.636 -12.755 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.254 -11.119 -0.550 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.112 -13.435 -4.130 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.013 -13.973 -5.503 1.00 0.00 C ATOM 1566 C LYS A 106 -7.704 -14.713 -5.830 1.00 0.00 C ATOM 1567 O LYS A 106 -7.670 -15.446 -6.824 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.245 -12.820 -6.498 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.738 -12.472 -6.614 1.00 0.00 C ATOM 1570 CD LYS A 106 -10.946 -11.209 -7.463 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.428 -10.939 -7.760 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.228 -10.694 -6.524 1.00 0.00 N ATOM 0 H LYS A 106 -9.052 -12.417 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.782 -14.740 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.689 -11.940 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.858 -13.099 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.276 -13.308 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.157 -12.319 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.521 -10.351 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.403 -11.313 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.511 -10.074 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.848 -11.790 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.229 -10.568 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.133 -11.507 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.880 -9.836 -6.050 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.652 -14.563 -5.013 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.303 -15.098 -5.273 1.00 0.00 C ATOM 1588 C GLN A 107 -4.696 -15.915 -4.121 1.00 0.00 C ATOM 1589 O GLN A 107 -3.904 -16.827 -4.359 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.372 -13.937 -5.644 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.232 -12.823 -4.601 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.360 -11.670 -5.098 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.148 -11.781 -5.238 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.940 -10.518 -5.356 1.00 0.00 N ATOM 0 H GLN A 107 -6.714 -14.054 -4.131 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.407 -15.806 -6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.381 -14.344 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.730 -13.494 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.221 -12.443 -4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.801 -13.235 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.949 -10.418 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.381 -9.725 -5.670 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.099 -15.619 -2.884 1.00 0.00 N ATOM 1604 CA ALA A 108 -4.699 -16.335 -1.662 1.00 0.00 C ATOM 1605 C ALA A 108 -5.040 -17.848 -1.638 1.00 0.00 C ATOM 1606 O ALA A 108 -4.435 -18.607 -0.872 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.340 -15.621 -0.465 1.00 0.00 C ATOM 0 H ALA A 108 -5.737 -14.846 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.610 -16.307 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.060 -16.132 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.992 -14.589 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.425 -15.634 -0.572 1.00 0.00 H new ATOM 1613 N GLY A 109 -5.983 -18.299 -2.471 1.00 0.00 N ATOM 1614 CA GLY A 109 -6.346 -19.711 -2.628 1.00 0.00 C ATOM 1615 C GLY A 109 -7.370 -19.965 -3.747 1.00 0.00 C ATOM 1616 O GLY A 109 -7.852 -19.013 -4.375 1.00 0.00 O ATOM 0 H GLY A 109 -6.528 -17.678 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.445 -20.288 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.752 -20.080 -1.686 1.00 0.00 H new ATOM 1620 N PRO A 110 -7.712 -21.242 -4.012 1.00 0.00 N ATOM 1621 CA PRO A 110 -8.678 -21.627 -5.058 1.00 0.00 C ATOM 1622 C PRO A 110 -10.138 -21.316 -4.685 1.00 0.00 C ATOM 1623 O PRO A 110 -11.006 -21.279 -5.560 1.00 0.00 O ATOM 1624 CB PRO A 110 -8.465 -23.131 -5.250 1.00 0.00 C ATOM 1625 CG PRO A 110 -8.010 -23.604 -3.873 1.00 0.00 C ATOM 1626 CD PRO A 110 -7.180 -22.431 -3.358 1.00 0.00 C ATOM 0 HA PRO A 110 -8.507 -21.054 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.382 -23.630 -5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.714 -23.336 -6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.857 -23.816 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.420 -24.518 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.255 -22.346 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.125 -22.567 -3.594 1.00 0.00 H new ATOM 1634 N ALA A 111 -10.420 -21.092 -3.394 1.00 0.00 N ATOM 1635 CA ALA A 111 -11.724 -20.703 -2.855 1.00 0.00 C ATOM 1636 C ALA A 111 -11.561 -19.839 -1.581 1.00 0.00 C ATOM 1637 O ALA A 111 -10.490 -19.825 -0.962 1.00 0.00 O ATOM 1638 CB ALA A 111 -12.522 -21.979 -2.550 1.00 0.00 C ATOM 0 H ALA A 111 -9.711 -21.182 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.259 -20.099 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.498 -21.710 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.654 -22.554 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.981 -22.581 -1.820 1.00 0.00 H new ATOM 1644 N SER A 112 -12.638 -19.154 -1.171 1.00 0.00 N ATOM 1645 CA SER A 112 -12.671 -18.284 0.029 1.00 0.00 C ATOM 1646 C SER A 112 -13.991 -18.333 0.820 1.00 0.00 C ATOM 1647 O SER A 112 -14.161 -17.570 1.776 1.00 0.00 O ATOM 1648 CB SER A 112 -12.312 -16.841 -0.367 1.00 0.00 C ATOM 1649 OG SER A 112 -13.222 -16.308 -1.317 1.00 0.00 O ATOM 0 H SER A 112 -13.529 -19.185 -1.667 1.00 0.00 H new ATOM 0 HA SER A 112 -11.923 -18.680 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.307 -16.212 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.303 -16.819 -0.779 1.00 0.00 H new ATOM 0 HG SER A 112 -12.961 -15.390 -1.541 1.00 0.00 H new ATOM 1655 N VAL A 113 -14.918 -19.229 0.450 1.00 0.00 N ATOM 1656 CA VAL A 113 -16.278 -19.403 1.026 1.00 0.00 C ATOM 1657 C VAL A 113 -16.704 -20.873 1.107 1.00 0.00 C ATOM 1658 O VAL A 113 -16.227 -21.697 0.295 1.00 0.00 O ATOM 1659 CB VAL A 113 -17.344 -18.598 0.251 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -17.158 -17.087 0.456 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -17.355 -18.880 -1.257 1.00 0.00 C ATOM 1662 OXT VAL A 113 -17.504 -21.205 2.011 1.00 0.00 O ATOM 0 H VAL A 113 -14.737 -19.894 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 113 -16.213 -19.013 2.042 1.00 0.00 H new ATOM 0 HB VAL A 113 -18.297 -18.928 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -17.923 -16.547 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -17.247 -16.850 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -16.172 -16.790 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -18.129 -18.279 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -16.384 -18.625 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -17.560 -19.937 -1.428 1.00 0.00 H new TER 1672 VAL A 113