USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 668 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 4 ASN : amide:sc= -1.05! C(o=-2.5!,f=-4.3!) USER MOD Set 1.2: A 6 TYR OH : rot 45:sc= -0.615 USER MOD Set 1.3: A 78 SER OG : rot 82:sc= -0.798! USER MOD Set 2.1: A 3 GLN : amide:sc= -10.8! C(o=-10!,f=-15!) USER MOD Set 2.2: A 64 TYR OH : rot 62:sc= 0.522 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00343 USER MOD Single : A 12 THR OG1 : rot 86:sc= 0.0272 USER MOD Single : A 15 HIS : no HD1:sc= -9.76! C(o=-9.8!,f=-9.6!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.137 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.18 USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= -1.05! (180deg=-2.1!) USER MOD Single : A 31 SER OG : rot 70:sc= -3.06! USER MOD Single : A 34 GLN :FLIP amide:sc= -1.19 F(o=-1.8,f=-1.2) USER MOD Single : A 37 TYR OH : rot 135:sc= -0.317 USER MOD Single : A 38 ASN : amide:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.102 F(o=-1.3,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.185 (180deg=-0.348) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 146:sc= -0.767 (180deg=-3!) USER MOD Single : A 52 SER OG : rot 95:sc= 0.0744 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -10:sc= -1.92! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 71:sc= -2.01! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.826 F(o=-3.6!,f=-0.83) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= -0.388 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -6.853 -1.035 11.764 1.00 0.00 N ATOM 19 CA GLU A 2 -5.824 -2.050 11.615 1.00 0.00 C ATOM 20 C GLU A 2 -4.958 -1.750 10.390 1.00 0.00 C ATOM 21 O GLU A 2 -5.477 -1.527 9.298 1.00 0.00 O ATOM 22 CB GLU A 2 -6.440 -3.447 11.522 1.00 0.00 C ATOM 23 CG GLU A 2 -6.080 -4.119 10.196 1.00 0.00 C ATOM 24 CD GLU A 2 -6.215 -5.639 10.296 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.659 -6.154 11.334 1.00 0.00 O ATOM 26 OE2 GLU A 2 -5.841 -6.291 9.248 1.00 0.00 O ATOM 0 HA GLU A 2 -5.188 -2.028 12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.087 -4.060 12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.524 -3.377 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.731 -3.744 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.059 -3.859 9.918 1.00 0.00 H new ATOM 34 N GLN A 3 -3.652 -1.755 10.613 1.00 0.00 N ATOM 35 CA GLN A 3 -2.708 -1.487 9.541 1.00 0.00 C ATOM 36 C GLN A 3 -1.831 -2.714 9.286 1.00 0.00 C ATOM 37 O GLN A 3 -2.004 -3.749 9.928 1.00 0.00 O ATOM 38 CB GLN A 3 -1.853 -0.258 9.858 1.00 0.00 C ATOM 39 CG GLN A 3 -0.855 -0.558 10.978 1.00 0.00 C ATOM 40 CD GLN A 3 0.424 0.264 10.808 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.492 1.200 10.028 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.431 -0.137 11.577 1.00 0.00 N ATOM 0 H GLN A 3 -3.225 -1.940 11.521 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.271 -1.273 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.317 0.057 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.497 0.571 10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.309 -0.335 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.611 -1.620 10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.307 -0.928 12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.328 0.347 11.536 1.00 0.00 H new ATOM 51 N ASN A 4 -0.908 -2.558 8.349 1.00 0.00 N ATOM 52 CA ASN A 4 -0.003 -3.641 8.001 1.00 0.00 C ATOM 53 C ASN A 4 1.290 -3.056 7.429 1.00 0.00 C ATOM 54 O ASN A 4 1.254 -2.256 6.496 1.00 0.00 O ATOM 55 CB ASN A 4 -0.619 -4.554 6.939 1.00 0.00 C ATOM 56 CG ASN A 4 -0.990 -5.914 7.533 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.856 -6.952 6.906 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.465 -5.851 8.774 1.00 0.00 N ATOM 0 H ASN A 4 -0.767 -1.698 7.819 1.00 0.00 H new ATOM 0 HA ASN A 4 0.193 -4.219 8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.507 -4.082 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.086 -4.691 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.743 -6.705 9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.551 -4.949 9.242 1.00 0.00 H new ATOM 65 N SER A 5 2.402 -3.478 8.014 1.00 0.00 N ATOM 66 CA SER A 5 3.703 -3.006 7.575 1.00 0.00 C ATOM 67 C SER A 5 4.360 -4.049 6.669 1.00 0.00 C ATOM 68 O SER A 5 4.043 -5.235 6.749 1.00 0.00 O ATOM 69 CB SER A 5 4.609 -2.695 8.769 1.00 0.00 C ATOM 70 OG SER A 5 3.934 -2.878 10.011 1.00 0.00 O ATOM 0 H SER A 5 2.428 -4.142 8.788 1.00 0.00 H new ATOM 0 HA SER A 5 3.559 -2.084 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.488 -3.339 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.964 -1.667 8.697 1.00 0.00 H new ATOM 0 HG SER A 5 4.545 -2.672 10.749 1.00 0.00 H new ATOM 76 N TYR A 6 5.263 -3.570 5.826 1.00 0.00 N ATOM 77 CA TYR A 6 5.967 -4.446 4.905 1.00 0.00 C ATOM 78 C TYR A 6 7.321 -3.853 4.511 1.00 0.00 C ATOM 79 O TYR A 6 7.663 -2.746 4.925 1.00 0.00 O ATOM 80 CB TYR A 6 5.085 -4.545 3.659 1.00 0.00 C ATOM 81 CG TYR A 6 3.677 -5.078 3.935 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.511 -6.303 4.550 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.574 -4.336 3.568 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.186 -6.804 4.809 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.249 -4.837 3.827 1.00 0.00 C ATOM 86 CZ TYR A 6 1.121 -6.047 4.435 1.00 0.00 C ATOM 87 OH TYR A 6 -0.130 -6.521 4.679 1.00 0.00 O ATOM 0 H TYR A 6 5.523 -2.586 5.762 1.00 0.00 H new ATOM 0 HA TYR A 6 6.152 -5.417 5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.006 -3.558 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.572 -5.194 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.374 -6.885 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.704 -3.378 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.042 -7.760 5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.377 -4.265 3.545 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.173 -6.877 5.591 1.00 0.00 H new ATOM 97 N VAL A 7 8.056 -4.617 3.716 1.00 0.00 N ATOM 98 CA VAL A 7 9.366 -4.180 3.261 1.00 0.00 C ATOM 99 C VAL A 7 9.438 -4.303 1.737 1.00 0.00 C ATOM 100 O VAL A 7 9.017 -5.310 1.171 1.00 0.00 O ATOM 101 CB VAL A 7 10.460 -4.975 3.977 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.865 -6.153 4.752 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.528 -5.450 2.990 1.00 0.00 C ATOM 0 H VAL A 7 7.770 -5.535 3.375 1.00 0.00 H new ATOM 0 HA VAL A 7 9.528 -3.132 3.511 1.00 0.00 H new ATOM 0 HB VAL A 7 10.940 -4.311 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.664 -6.701 5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.161 -5.781 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.346 -6.818 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.293 -6.012 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.068 -6.089 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.984 -4.587 2.505 1.00 0.00 H new ATOM 113 N ILE A 8 9.976 -3.263 1.117 1.00 0.00 N ATOM 114 CA ILE A 8 10.109 -3.242 -0.330 1.00 0.00 C ATOM 115 C ILE A 8 11.336 -4.060 -0.737 1.00 0.00 C ATOM 116 O ILE A 8 12.429 -3.851 -0.213 1.00 0.00 O ATOM 117 CB ILE A 8 10.134 -1.801 -0.844 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.854 -1.058 -0.457 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.386 -1.762 -2.353 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.614 -1.823 -0.923 1.00 0.00 C ATOM 0 H ILE A 8 10.325 -2.429 1.590 1.00 0.00 H new ATOM 0 HA ILE A 8 9.243 -3.710 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 8 10.964 -1.282 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.819 -0.926 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.859 -0.062 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.399 -0.726 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.346 -2.229 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.593 -2.303 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.718 -1.273 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.640 -1.932 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.599 -2.809 -0.459 1.00 0.00 H new ATOM 132 N ILE A 9 11.113 -4.978 -1.667 1.00 0.00 N ATOM 133 CA ILE A 9 12.186 -5.830 -2.150 1.00 0.00 C ATOM 134 C ILE A 9 12.325 -5.659 -3.664 1.00 0.00 C ATOM 135 O ILE A 9 13.194 -6.269 -4.284 1.00 0.00 O ATOM 136 CB ILE A 9 11.959 -7.278 -1.712 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.584 -7.776 -2.160 1.00 0.00 C ATOM 138 CG2 ILE A 9 12.162 -7.433 -0.204 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.446 -9.284 -1.932 1.00 0.00 C ATOM 0 H ILE A 9 10.205 -5.150 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 9 13.137 -5.533 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 9 12.704 -7.905 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.805 -7.248 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.437 -7.549 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.995 -8.472 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.180 -7.145 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.456 -6.793 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.459 -9.613 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.211 -9.810 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.569 -9.504 -0.872 1.00 0.00 H new ATOM 151 N ASP A 10 11.454 -4.827 -4.216 1.00 0.00 N ATOM 152 CA ASP A 10 11.468 -4.569 -5.646 1.00 0.00 C ATOM 153 C ASP A 10 12.340 -3.344 -5.930 1.00 0.00 C ATOM 154 O ASP A 10 12.098 -2.266 -5.389 1.00 0.00 O ATOM 155 CB ASP A 10 10.059 -4.276 -6.167 1.00 0.00 C ATOM 156 CG ASP A 10 9.966 -4.023 -7.673 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.894 -3.690 -8.199 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.070 -4.185 -8.322 1.00 0.00 O ATOM 0 H ASP A 10 10.734 -4.323 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 10 11.860 -5.455 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.412 -5.116 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.668 -3.404 -5.643 1.00 0.00 H new ATOM 164 N GLU A 11 13.337 -3.552 -6.778 1.00 0.00 N ATOM 165 CA GLU A 11 14.247 -2.478 -7.140 1.00 0.00 C ATOM 166 C GLU A 11 13.519 -1.427 -7.980 1.00 0.00 C ATOM 167 O GLU A 11 14.073 -0.369 -8.273 1.00 0.00 O ATOM 168 CB GLU A 11 15.468 -3.023 -7.884 1.00 0.00 C ATOM 169 CG GLU A 11 15.099 -3.456 -9.303 1.00 0.00 C ATOM 170 CD GLU A 11 14.477 -4.854 -9.305 1.00 0.00 C ATOM 171 OE1 GLU A 11 14.992 -5.763 -8.638 1.00 0.00 O ATOM 172 OE2 GLU A 11 13.420 -4.981 -10.034 1.00 0.00 O ATOM 0 H GLU A 11 13.535 -4.448 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 11 14.601 -2.003 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.244 -2.259 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.882 -3.870 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.398 -2.741 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.989 -3.449 -9.932 1.00 0.00 H new ATOM 180 N THR A 12 12.287 -1.753 -8.342 1.00 0.00 N ATOM 181 CA THR A 12 11.477 -0.849 -9.141 1.00 0.00 C ATOM 182 C THR A 12 10.672 0.086 -8.236 1.00 0.00 C ATOM 183 O THR A 12 10.116 1.080 -8.702 1.00 0.00 O ATOM 184 CB THR A 12 10.605 -1.693 -10.072 1.00 0.00 C ATOM 185 OG1 THR A 12 11.542 -2.463 -10.821 1.00 0.00 O ATOM 186 CG2 THR A 12 9.887 -0.849 -11.127 1.00 0.00 C ATOM 0 H THR A 12 11.830 -2.631 -8.097 1.00 0.00 H new ATOM 0 HA THR A 12 12.099 -0.199 -9.756 1.00 0.00 H new ATOM 0 HB THR A 12 9.869 -2.240 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.765 -3.279 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.282 -1.497 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.244 -0.120 -10.634 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.623 -0.328 -11.739 1.00 0.00 H new ATOM 194 N GLY A 13 10.635 -0.264 -6.960 1.00 0.00 N ATOM 195 CA GLY A 13 9.907 0.532 -5.986 1.00 0.00 C ATOM 196 C GLY A 13 8.447 0.713 -6.406 1.00 0.00 C ATOM 197 O GLY A 13 8.166 1.298 -7.452 1.00 0.00 O ATOM 0 H GLY A 13 11.097 -1.088 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.951 0.048 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.382 1.507 -5.880 1.00 0.00 H new ATOM 201 N ILE A 14 7.555 0.199 -5.572 1.00 0.00 N ATOM 202 CA ILE A 14 6.132 0.298 -5.844 1.00 0.00 C ATOM 203 C ILE A 14 5.879 1.461 -6.805 1.00 0.00 C ATOM 204 O ILE A 14 6.030 2.623 -6.431 1.00 0.00 O ATOM 205 CB ILE A 14 5.342 0.396 -4.537 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.488 -0.854 -4.317 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.504 1.677 -4.498 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.057 -0.635 -4.813 1.00 0.00 C ATOM 0 H ILE A 14 7.791 -0.288 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 14 5.775 -0.606 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 14 6.052 0.450 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.933 -1.700 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.474 -1.108 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.952 1.722 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.160 2.544 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.802 1.678 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.471 -1.539 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.607 0.196 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.072 -0.406 -5.878 1.00 0.00 H new ATOM 220 N HIS A 15 5.501 1.108 -8.025 1.00 0.00 N ATOM 221 CA HIS A 15 5.226 2.109 -9.042 1.00 0.00 C ATOM 222 C HIS A 15 3.719 2.186 -9.291 1.00 0.00 C ATOM 223 O HIS A 15 2.929 1.654 -8.513 1.00 0.00 O ATOM 224 CB HIS A 15 6.024 1.821 -10.315 1.00 0.00 C ATOM 225 CG HIS A 15 6.349 0.360 -10.521 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.898 -0.361 -11.612 1.00 0.00 N ATOM 227 CD2 HIS A 15 7.084 -0.504 -9.764 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.347 -1.603 -11.507 1.00 0.00 C ATOM 229 NE2 HIS A 15 7.081 -1.690 -10.360 1.00 0.00 N ATOM 0 H HIS A 15 5.379 0.143 -8.332 1.00 0.00 H new ATOM 0 HA HIS A 15 5.551 3.089 -8.692 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.459 2.181 -11.175 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.954 2.388 -10.284 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.584 -0.264 -8.837 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.164 -2.406 -12.206 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.550 -2.528 -10.017 1.00 0.00 H new ATOM 237 N ALA A 16 3.366 2.854 -10.380 1.00 0.00 N ATOM 238 CA ALA A 16 1.967 3.009 -10.742 1.00 0.00 C ATOM 239 C ALA A 16 1.386 1.641 -11.109 1.00 0.00 C ATOM 240 O ALA A 16 0.186 1.413 -10.960 1.00 0.00 O ATOM 241 CB ALA A 16 1.844 4.019 -11.884 1.00 0.00 C ATOM 0 H ALA A 16 4.024 3.294 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 16 1.393 3.397 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.795 4.135 -12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.245 4.981 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.405 3.662 -12.748 1.00 0.00 H new ATOM 247 N ARG A 17 2.263 0.768 -11.581 1.00 0.00 N ATOM 248 CA ARG A 17 1.852 -0.571 -11.970 1.00 0.00 C ATOM 249 C ARG A 17 1.176 -1.280 -10.795 1.00 0.00 C ATOM 250 O ARG A 17 -0.015 -1.583 -10.851 1.00 0.00 O ATOM 251 CB ARG A 17 3.049 -1.400 -12.438 1.00 0.00 C ATOM 252 CG ARG A 17 2.966 -1.686 -13.938 1.00 0.00 C ATOM 253 CD ARG A 17 3.783 -2.926 -14.305 1.00 0.00 C ATOM 254 NE ARG A 17 3.155 -3.627 -15.448 1.00 0.00 N ATOM 255 CZ ARG A 17 3.607 -4.778 -15.965 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.693 -5.365 -15.444 1.00 0.00 N ATOM 257 NH2 ARG A 17 2.973 -5.341 -17.003 1.00 0.00 N ATOM 0 H ARG A 17 3.257 0.961 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 17 1.147 -0.476 -12.795 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.974 -0.867 -12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.083 -2.340 -11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.925 -1.833 -14.227 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.333 -0.825 -14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.802 -2.637 -14.561 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.847 -3.596 -13.448 1.00 0.00 H new ATOM 0 HE ARG A 17 2.326 -3.207 -15.869 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.175 -4.936 -14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.037 -6.241 -15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.147 -4.894 -17.399 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.317 -6.217 -17.397 1.00 0.00 H new ATOM 271 N PRO A 18 1.985 -1.531 -9.732 1.00 0.00 N ATOM 272 CA PRO A 18 1.477 -2.199 -8.546 1.00 0.00 C ATOM 273 C PRO A 18 0.614 -1.251 -7.709 1.00 0.00 C ATOM 274 O PRO A 18 -0.490 -1.608 -7.304 1.00 0.00 O ATOM 275 CB PRO A 18 2.715 -2.683 -7.807 1.00 0.00 C ATOM 276 CG PRO A 18 3.874 -1.871 -8.360 1.00 0.00 C ATOM 277 CD PRO A 18 3.400 -1.186 -9.630 1.00 0.00 C ATOM 0 HA PRO A 18 0.818 -3.034 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.611 -2.534 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.874 -3.749 -7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.206 -1.133 -7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.726 -2.517 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.541 -0.107 -9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.956 -1.536 -10.500 1.00 0.00 H new ATOM 285 N ALA A 19 1.152 -0.063 -7.477 1.00 0.00 N ATOM 286 CA ALA A 19 0.444 0.938 -6.697 1.00 0.00 C ATOM 287 C ALA A 19 -1.029 0.950 -7.105 1.00 0.00 C ATOM 288 O ALA A 19 -1.901 1.249 -6.290 1.00 0.00 O ATOM 289 CB ALA A 19 1.114 2.301 -6.888 1.00 0.00 C ATOM 0 H ALA A 19 2.069 0.229 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 19 0.488 0.698 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.583 3.052 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.150 2.247 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.086 2.576 -7.942 1.00 0.00 H new ATOM 295 N THR A 20 -1.264 0.620 -8.367 1.00 0.00 N ATOM 296 CA THR A 20 -2.618 0.588 -8.893 1.00 0.00 C ATOM 297 C THR A 20 -3.405 -0.566 -8.270 1.00 0.00 C ATOM 298 O THR A 20 -4.475 -0.357 -7.702 1.00 0.00 O ATOM 299 CB THR A 20 -2.529 0.510 -10.419 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.714 1.857 -10.846 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.711 -0.242 -11.036 1.00 0.00 C ATOM 0 H THR A 20 -0.539 0.372 -9.040 1.00 0.00 H new ATOM 0 HA THR A 20 -3.167 1.492 -8.630 1.00 0.00 H new ATOM 0 HB THR A 20 -1.598 0.020 -10.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.845 2.252 -11.069 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.599 -0.269 -12.120 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.736 -1.261 -10.649 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.640 0.267 -10.779 1.00 0.00 H new ATOM 309 N MET A 21 -2.845 -1.760 -8.398 1.00 0.00 N ATOM 310 CA MET A 21 -3.481 -2.948 -7.855 1.00 0.00 C ATOM 311 C MET A 21 -3.737 -2.795 -6.354 1.00 0.00 C ATOM 312 O MET A 21 -4.819 -3.120 -5.870 1.00 0.00 O ATOM 313 CB MET A 21 -2.586 -4.165 -8.100 1.00 0.00 C ATOM 314 CG MET A 21 -2.397 -4.415 -9.597 1.00 0.00 C ATOM 315 SD MET A 21 -1.860 -6.094 -9.872 1.00 0.00 S ATOM 316 CE MET A 21 -3.443 -6.917 -9.944 1.00 0.00 C ATOM 0 H MET A 21 -1.957 -1.930 -8.870 1.00 0.00 H new ATOM 0 HA MET A 21 -4.439 -3.085 -8.356 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.616 -4.008 -7.629 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.028 -5.046 -7.634 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.333 -4.233 -10.126 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.662 -3.719 -10.000 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.291 -7.983 -10.112 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.973 -6.770 -9.003 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.033 -6.501 -10.761 1.00 0.00 H new ATOM 326 N LEU A 22 -2.722 -2.300 -5.661 1.00 0.00 N ATOM 327 CA LEU A 22 -2.823 -2.101 -4.225 1.00 0.00 C ATOM 328 C LEU A 22 -3.943 -1.101 -3.932 1.00 0.00 C ATOM 329 O LEU A 22 -4.792 -1.347 -3.076 1.00 0.00 O ATOM 330 CB LEU A 22 -1.467 -1.694 -3.644 1.00 0.00 C ATOM 331 CG LEU A 22 -1.018 -2.455 -2.396 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.730 -3.922 -2.723 1.00 0.00 C ATOM 333 CD2 LEU A 22 0.182 -1.770 -1.738 1.00 0.00 C ATOM 0 H LEU A 22 -1.826 -2.031 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.089 -3.034 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.709 -1.823 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.500 -0.631 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.835 -2.439 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.413 -4.441 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.633 -4.392 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.061 -3.980 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.481 -2.331 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.012 -1.735 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.092 -0.755 -1.449 1.00 0.00 H new ATOM 345 N VAL A 23 -3.909 0.008 -4.658 1.00 0.00 N ATOM 346 CA VAL A 23 -4.910 1.046 -4.486 1.00 0.00 C ATOM 347 C VAL A 23 -6.277 0.507 -4.915 1.00 0.00 C ATOM 348 O VAL A 23 -7.282 0.754 -4.251 1.00 0.00 O ATOM 349 CB VAL A 23 -4.497 2.304 -5.253 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.722 3.041 -5.799 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.649 3.226 -4.376 1.00 0.00 C ATOM 0 H VAL A 23 -3.203 0.209 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.987 1.331 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.887 1.994 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.400 3.931 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.270 2.385 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.369 3.333 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.369 4.113 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.224 3.524 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.749 2.699 -4.058 1.00 0.00 H new ATOM 361 N GLN A 24 -6.270 -0.220 -6.023 1.00 0.00 N ATOM 362 CA GLN A 24 -7.496 -0.797 -6.548 1.00 0.00 C ATOM 363 C GLN A 24 -8.111 -1.756 -5.528 1.00 0.00 C ATOM 364 O GLN A 24 -9.225 -1.534 -5.055 1.00 0.00 O ATOM 365 CB GLN A 24 -7.242 -1.503 -7.882 1.00 0.00 C ATOM 366 CG GLN A 24 -8.485 -1.454 -8.772 1.00 0.00 C ATOM 367 CD GLN A 24 -8.388 -2.477 -9.906 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.072 -3.487 -9.926 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.500 -2.161 -10.845 1.00 0.00 N ATOM 0 H GLN A 24 -5.434 -0.423 -6.572 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.205 0.010 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.404 -1.030 -8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.960 -2.540 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.374 -1.653 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.599 -0.453 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.960 -1.299 -10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.359 -2.780 -11.643 1.00 0.00 H new ATOM 378 N THR A 25 -7.359 -2.802 -5.217 1.00 0.00 N ATOM 379 CA THR A 25 -7.816 -3.795 -4.261 1.00 0.00 C ATOM 380 C THR A 25 -8.159 -3.132 -2.925 1.00 0.00 C ATOM 381 O THR A 25 -9.094 -3.548 -2.244 1.00 0.00 O ATOM 382 CB THR A 25 -6.736 -4.873 -4.146 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.251 -5.963 -4.905 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.615 -5.430 -2.726 1.00 0.00 C ATOM 0 H THR A 25 -6.436 -2.983 -5.611 1.00 0.00 H new ATOM 0 HA THR A 25 -8.737 -4.272 -4.596 1.00 0.00 H new ATOM 0 HB THR A 25 -5.776 -4.460 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.612 -6.706 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.835 -6.191 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.359 -4.623 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.565 -5.873 -2.427 1.00 0.00 H new ATOM 392 N ALA A 26 -7.382 -2.112 -2.591 1.00 0.00 N ATOM 393 CA ALA A 26 -7.591 -1.388 -1.350 1.00 0.00 C ATOM 394 C ALA A 26 -8.899 -0.597 -1.439 1.00 0.00 C ATOM 395 O ALA A 26 -9.636 -0.498 -0.460 1.00 0.00 O ATOM 396 CB ALA A 26 -6.384 -0.490 -1.073 1.00 0.00 C ATOM 0 H ALA A 26 -6.607 -1.770 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.681 -2.080 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.541 0.053 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.486 -1.103 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.263 0.220 -1.891 1.00 0.00 H new ATOM 402 N SER A 27 -9.144 -0.054 -2.623 1.00 0.00 N ATOM 403 CA SER A 27 -10.349 0.724 -2.853 1.00 0.00 C ATOM 404 C SER A 27 -11.544 -0.209 -3.057 1.00 0.00 C ATOM 405 O SER A 27 -12.606 -0.001 -2.471 1.00 0.00 O ATOM 406 CB SER A 27 -10.185 1.649 -4.060 1.00 0.00 C ATOM 407 OG SER A 27 -10.656 1.047 -5.262 1.00 0.00 O ATOM 0 H SER A 27 -8.529 -0.138 -3.432 1.00 0.00 H new ATOM 0 HA SER A 27 -10.528 1.345 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.729 2.577 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.134 1.913 -4.174 1.00 0.00 H new ATOM 0 HG SER A 27 -10.535 1.670 -6.009 1.00 0.00 H new ATOM 413 N LYS A 28 -11.331 -1.217 -3.890 1.00 0.00 N ATOM 414 CA LYS A 28 -12.377 -2.182 -4.179 1.00 0.00 C ATOM 415 C LYS A 28 -13.211 -2.418 -2.918 1.00 0.00 C ATOM 416 O LYS A 28 -14.423 -2.616 -2.998 1.00 0.00 O ATOM 417 CB LYS A 28 -11.778 -3.462 -4.768 1.00 0.00 C ATOM 418 CG LYS A 28 -10.953 -3.155 -6.019 1.00 0.00 C ATOM 419 CD LYS A 28 -11.548 -3.843 -7.250 1.00 0.00 C ATOM 420 CE LYS A 28 -11.986 -5.272 -6.921 1.00 0.00 C ATOM 421 NZ LYS A 28 -13.454 -5.337 -6.744 1.00 0.00 N ATOM 0 H LYS A 28 -10.449 -1.386 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.053 -1.793 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.149 -3.950 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.577 -4.161 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.919 -2.078 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.926 -3.488 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.402 -3.271 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.811 -3.860 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.680 -5.946 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.489 -5.611 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.679 -5.941 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.827 -4.380 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.890 -5.736 -7.600 1.00 0.00 H new ATOM 435 N PHE A 29 -12.529 -2.388 -1.782 1.00 0.00 N ATOM 436 CA PHE A 29 -13.192 -2.596 -0.506 1.00 0.00 C ATOM 437 C PHE A 29 -13.939 -1.336 -0.065 1.00 0.00 C ATOM 438 O PHE A 29 -14.262 -0.481 -0.889 1.00 0.00 O ATOM 439 CB PHE A 29 -12.100 -2.912 0.519 1.00 0.00 C ATOM 440 CG PHE A 29 -11.368 -4.230 0.261 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.050 -5.406 0.305 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.036 -4.227 -0.011 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.371 -6.630 0.067 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.356 -5.451 -0.249 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.039 -6.626 -0.206 1.00 0.00 C ATOM 0 H PHE A 29 -11.524 -2.223 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.917 -3.405 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.374 -2.099 0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.547 -2.945 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.108 -5.409 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.495 -3.293 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.912 -7.564 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.298 -5.448 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.523 -7.557 -0.389 1.00 0.00 H new ATOM 455 N ASP A 30 -14.193 -1.261 1.233 1.00 0.00 N ATOM 456 CA ASP A 30 -14.897 -0.119 1.794 1.00 0.00 C ATOM 457 C ASP A 30 -14.031 0.524 2.879 1.00 0.00 C ATOM 458 O ASP A 30 -13.931 1.749 2.953 1.00 0.00 O ATOM 459 CB ASP A 30 -16.218 -0.548 2.435 1.00 0.00 C ATOM 460 CG ASP A 30 -16.933 0.544 3.234 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.730 1.744 2.997 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.739 0.114 4.144 1.00 0.00 O ATOM 0 H ASP A 30 -13.924 -1.972 1.913 1.00 0.00 H new ATOM 0 HA ASP A 30 -15.100 0.584 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.888 -0.901 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.027 -1.394 3.095 1.00 0.00 H new ATOM 468 N SER A 31 -13.429 -0.328 3.694 1.00 0.00 N ATOM 469 CA SER A 31 -12.575 0.143 4.772 1.00 0.00 C ATOM 470 C SER A 31 -11.724 1.319 4.290 1.00 0.00 C ATOM 471 O SER A 31 -11.402 1.412 3.107 1.00 0.00 O ATOM 472 CB SER A 31 -11.679 -0.981 5.296 1.00 0.00 C ATOM 473 OG SER A 31 -11.921 -2.214 4.625 1.00 0.00 O ATOM 0 H SER A 31 -13.515 -1.342 3.630 1.00 0.00 H new ATOM 0 HA SER A 31 -13.212 0.476 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.634 -0.699 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.848 -1.111 6.365 1.00 0.00 H new ATOM 0 HG SER A 31 -11.597 -2.153 3.702 1.00 0.00 H new ATOM 479 N ASP A 32 -11.385 2.188 5.231 1.00 0.00 N ATOM 480 CA ASP A 32 -10.578 3.355 4.917 1.00 0.00 C ATOM 481 C ASP A 32 -9.098 3.004 5.081 1.00 0.00 C ATOM 482 O ASP A 32 -8.487 3.336 6.096 1.00 0.00 O ATOM 483 CB ASP A 32 -10.897 4.515 5.861 1.00 0.00 C ATOM 484 CG ASP A 32 -12.365 4.627 6.277 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.075 3.616 6.393 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.782 5.829 6.489 1.00 0.00 O ATOM 0 H ASP A 32 -11.655 2.107 6.211 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.800 3.653 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.288 4.411 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.599 5.447 5.380 1.00 0.00 H new ATOM 492 N ILE A 33 -8.565 2.338 4.068 1.00 0.00 N ATOM 493 CA ILE A 33 -7.167 1.938 4.088 1.00 0.00 C ATOM 494 C ILE A 33 -6.291 3.147 3.750 1.00 0.00 C ATOM 495 O ILE A 33 -6.702 4.022 2.991 1.00 0.00 O ATOM 496 CB ILE A 33 -6.941 0.738 3.168 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.944 -0.378 3.464 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.495 0.247 3.253 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.877 -0.610 2.274 1.00 0.00 C ATOM 0 H ILE A 33 -9.075 2.065 3.228 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.879 1.604 5.085 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.112 1.059 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.410 -1.299 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.531 -0.119 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.361 -0.607 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.820 1.049 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.272 -0.051 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.579 -1.409 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.428 0.306 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.289 -0.893 1.401 1.00 0.00 H new ATOM 511 N GLN A 34 -5.100 3.154 4.331 1.00 0.00 N ATOM 512 CA GLN A 34 -4.163 4.240 4.101 1.00 0.00 C ATOM 513 C GLN A 34 -2.745 3.690 3.932 1.00 0.00 C ATOM 514 O GLN A 34 -2.368 2.722 4.590 1.00 0.00 O ATOM 515 CB GLN A 34 -4.222 5.264 5.236 1.00 0.00 C ATOM 516 CG GLN A 34 -2.842 5.462 5.868 1.00 0.00 C ATOM 517 CD GLN A 34 -2.863 6.606 6.884 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.941 7.814 6.337 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -2.814 6.403 8.086 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.763 2.425 4.960 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.446 4.750 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.591 6.216 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.929 4.930 5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.527 4.541 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.109 5.675 5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.755 5.448 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.832 7.188 8.737 1.00 0.00 H new ATOM 528 N LEU A 35 -1.999 4.331 3.045 1.00 0.00 N ATOM 529 CA LEU A 35 -0.630 3.919 2.781 1.00 0.00 C ATOM 530 C LEU A 35 0.319 4.695 3.697 1.00 0.00 C ATOM 531 O LEU A 35 0.081 5.864 3.995 1.00 0.00 O ATOM 532 CB LEU A 35 -0.305 4.065 1.292 1.00 0.00 C ATOM 533 CG LEU A 35 0.656 3.026 0.711 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.994 3.347 -0.746 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.913 2.899 1.575 1.00 0.00 C ATOM 0 H LEU A 35 -2.316 5.133 2.500 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.500 2.861 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.238 4.022 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.120 5.055 1.128 1.00 0.00 H new ATOM 0 HG LEU A 35 0.158 2.056 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.679 2.593 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.080 3.348 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.465 4.329 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.580 2.154 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.423 3.861 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.633 2.591 2.582 1.00 0.00 H new ATOM 547 N GLU A 36 1.374 4.013 4.117 1.00 0.00 N ATOM 548 CA GLU A 36 2.359 4.623 4.993 1.00 0.00 C ATOM 549 C GLU A 36 3.767 4.166 4.609 1.00 0.00 C ATOM 550 O GLU A 36 3.954 3.040 4.150 1.00 0.00 O ATOM 551 CB GLU A 36 2.059 4.306 6.460 1.00 0.00 C ATOM 552 CG GLU A 36 3.245 4.676 7.354 1.00 0.00 C ATOM 553 CD GLU A 36 2.998 4.242 8.799 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.827 5.095 9.683 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.986 2.966 8.991 1.00 0.00 O ATOM 0 H GLU A 36 1.568 3.043 3.867 1.00 0.00 H new ATOM 0 HA GLU A 36 2.305 5.705 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.173 4.854 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.834 3.245 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.151 4.201 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.411 5.753 7.317 1.00 0.00 H new ATOM 563 N TYR A 37 4.722 5.062 4.811 1.00 0.00 N ATOM 564 CA TYR A 37 6.107 4.764 4.492 1.00 0.00 C ATOM 565 C TYR A 37 7.060 5.614 5.335 1.00 0.00 C ATOM 566 O TYR A 37 7.151 6.826 5.145 1.00 0.00 O ATOM 567 CB TYR A 37 6.288 5.130 3.017 1.00 0.00 C ATOM 568 CG TYR A 37 7.730 5.013 2.518 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.529 3.976 2.956 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.232 5.945 1.633 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.886 3.866 2.486 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.589 5.835 1.164 1.00 0.00 C ATOM 573 CZ TYR A 37 10.349 4.801 1.615 1.00 0.00 C ATOM 574 OH TYR A 37 11.631 4.698 1.172 1.00 0.00 O ATOM 0 H TYR A 37 4.563 5.995 5.192 1.00 0.00 H new ATOM 0 HA TYR A 37 6.330 3.716 4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.652 4.484 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.943 6.152 2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.137 3.248 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.607 6.757 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.522 3.058 2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.994 6.557 0.470 1.00 0.00 H new ATOM 0 HH TYR A 37 11.656 4.850 0.204 1.00 0.00 H new ATOM 584 N ASN A 38 7.745 4.944 6.251 1.00 0.00 N ATOM 585 CA ASN A 38 8.687 5.623 7.125 1.00 0.00 C ATOM 586 C ASN A 38 8.006 6.840 7.754 1.00 0.00 C ATOM 587 O ASN A 38 8.539 7.947 7.704 1.00 0.00 O ATOM 588 CB ASN A 38 9.907 6.115 6.344 1.00 0.00 C ATOM 589 CG ASN A 38 9.493 7.077 5.228 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.060 8.192 5.465 1.00 0.00 O ATOM 591 ND2 ASN A 38 9.650 6.584 4.004 1.00 0.00 N ATOM 0 H ASN A 38 7.666 3.939 6.407 1.00 0.00 H new ATOM 0 HA ASN A 38 9.009 4.915 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.599 6.615 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.437 5.264 5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.402 7.148 3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.018 5.641 3.877 1.00 0.00 H new ATOM 598 N GLY A 39 6.840 6.593 8.332 1.00 0.00 N ATOM 599 CA GLY A 39 6.081 7.655 8.971 1.00 0.00 C ATOM 600 C GLY A 39 5.393 8.540 7.930 1.00 0.00 C ATOM 601 O GLY A 39 4.783 9.550 8.274 1.00 0.00 O ATOM 0 H GLY A 39 6.402 5.673 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.334 7.223 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.745 8.261 9.587 1.00 0.00 H new ATOM 605 N LYS A 40 5.514 8.127 6.676 1.00 0.00 N ATOM 606 CA LYS A 40 4.911 8.869 5.582 1.00 0.00 C ATOM 607 C LYS A 40 3.608 8.186 5.165 1.00 0.00 C ATOM 608 O LYS A 40 3.609 7.316 4.296 1.00 0.00 O ATOM 609 CB LYS A 40 5.910 9.040 4.436 1.00 0.00 C ATOM 610 CG LYS A 40 6.096 10.519 4.087 1.00 0.00 C ATOM 611 CD LYS A 40 7.160 11.163 4.977 1.00 0.00 C ATOM 612 CE LYS A 40 7.386 12.625 4.590 1.00 0.00 C ATOM 613 NZ LYS A 40 8.817 12.981 4.722 1.00 0.00 N ATOM 0 H LYS A 40 6.021 7.288 6.394 1.00 0.00 H new ATOM 0 HA LYS A 40 4.653 9.878 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.869 8.605 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.559 8.497 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.385 10.616 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.149 11.046 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.851 11.103 6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.096 10.611 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.057 12.791 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.784 13.273 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.953 13.977 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.120 12.842 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.385 12.375 4.096 1.00 0.00 H new ATOM 627 N LYS A 41 2.525 8.606 5.805 1.00 0.00 N ATOM 628 CA LYS A 41 1.218 8.044 5.511 1.00 0.00 C ATOM 629 C LYS A 41 0.568 8.842 4.379 1.00 0.00 C ATOM 630 O LYS A 41 0.807 10.041 4.243 1.00 0.00 O ATOM 631 CB LYS A 41 0.368 7.974 6.781 1.00 0.00 C ATOM 632 CG LYS A 41 1.136 7.300 7.919 1.00 0.00 C ATOM 633 CD LYS A 41 2.081 8.289 8.605 1.00 0.00 C ATOM 634 CE LYS A 41 1.972 8.186 10.127 1.00 0.00 C ATOM 635 NZ LYS A 41 0.722 8.820 10.601 1.00 0.00 N ATOM 0 H LYS A 41 2.527 9.328 6.525 1.00 0.00 H new ATOM 0 HA LYS A 41 1.314 7.016 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.074 8.980 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.549 7.421 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.433 6.898 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.707 6.458 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.107 8.091 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.843 9.304 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.993 7.139 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.831 8.669 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.664 8.741 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.717 9.824 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.095 8.341 10.171 1.00 0.00 H new ATOM 649 N VAL A 42 -0.241 8.144 3.595 1.00 0.00 N ATOM 650 CA VAL A 42 -0.928 8.773 2.480 1.00 0.00 C ATOM 651 C VAL A 42 -2.249 8.045 2.224 1.00 0.00 C ATOM 652 O VAL A 42 -2.701 7.260 3.056 1.00 0.00 O ATOM 653 CB VAL A 42 -0.014 8.802 1.253 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.459 8.803 1.667 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.319 7.634 0.314 1.00 0.00 C ATOM 0 H VAL A 42 -0.436 7.149 3.710 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.169 9.810 2.715 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.210 9.727 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.087 8.824 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.665 9.683 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.676 7.903 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.345 7.679 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.165 6.693 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.354 7.697 -0.021 1.00 0.00 H new ATOM 665 N ASN A 43 -2.832 8.332 1.069 1.00 0.00 N ATOM 666 CA ASN A 43 -4.092 7.715 0.692 1.00 0.00 C ATOM 667 C ASN A 43 -3.814 6.481 -0.169 1.00 0.00 C ATOM 668 O ASN A 43 -3.258 6.594 -1.260 1.00 0.00 O ATOM 669 CB ASN A 43 -4.955 8.677 -0.125 1.00 0.00 C ATOM 670 CG ASN A 43 -6.373 8.761 0.443 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.129 7.701 0.171 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.756 9.723 1.088 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.454 8.984 0.382 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.621 7.445 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.501 9.668 -0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.994 8.344 -1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.124 10.505 1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.708 9.745 1.454 1.00 0.00 H new ATOM 679 N LEU A 44 -4.213 5.331 0.354 1.00 0.00 N ATOM 680 CA LEU A 44 -4.015 4.079 -0.354 1.00 0.00 C ATOM 681 C LEU A 44 -5.059 3.953 -1.464 1.00 0.00 C ATOM 682 O LEU A 44 -5.308 2.859 -1.968 1.00 0.00 O ATOM 683 CB LEU A 44 -4.016 2.903 0.625 1.00 0.00 C ATOM 684 CG LEU A 44 -3.967 1.508 0.001 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.202 1.528 -1.325 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.387 0.487 0.982 1.00 0.00 C ATOM 0 H LEU A 44 -4.673 5.241 1.260 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.036 4.065 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.160 3.011 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.912 2.971 1.242 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.988 1.197 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.181 0.524 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.698 2.205 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.182 1.869 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.364 -0.496 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.374 0.782 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.009 0.447 1.876 1.00 0.00 H new ATOM 698 N LYS A 45 -5.643 5.089 -1.815 1.00 0.00 N ATOM 699 CA LYS A 45 -6.655 5.121 -2.857 1.00 0.00 C ATOM 700 C LYS A 45 -6.204 6.068 -3.971 1.00 0.00 C ATOM 701 O LYS A 45 -6.965 6.352 -4.895 1.00 0.00 O ATOM 702 CB LYS A 45 -8.022 5.474 -2.266 1.00 0.00 C ATOM 703 CG LYS A 45 -8.141 4.974 -0.825 1.00 0.00 C ATOM 704 CD LYS A 45 -8.981 3.698 -0.756 1.00 0.00 C ATOM 705 CE LYS A 45 -10.281 3.938 0.014 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.004 4.112 1.457 1.00 0.00 N ATOM 0 H LYS A 45 -5.434 5.995 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.772 4.134 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.166 6.554 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.811 5.032 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.148 4.782 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.595 5.747 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.210 3.354 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.408 2.907 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.783 4.824 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.959 3.097 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.689 4.780 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.087 3.194 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.041 4.484 1.583 1.00 0.00 H new ATOM 720 N SER A 46 -4.968 6.528 -3.849 1.00 0.00 N ATOM 721 CA SER A 46 -4.407 7.437 -4.834 1.00 0.00 C ATOM 722 C SER A 46 -2.996 6.986 -5.218 1.00 0.00 C ATOM 723 O SER A 46 -2.205 6.608 -4.355 1.00 0.00 O ATOM 724 CB SER A 46 -4.381 8.873 -4.307 1.00 0.00 C ATOM 725 OG SER A 46 -4.355 9.830 -5.364 1.00 0.00 O ATOM 0 H SER A 46 -4.339 6.288 -3.083 1.00 0.00 H new ATOM 0 HA SER A 46 -5.042 7.416 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.258 9.046 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.506 9.010 -3.672 1.00 0.00 H new ATOM 0 HG SER A 46 -4.341 10.734 -4.986 1.00 0.00 H new ATOM 731 N ILE A 47 -2.724 7.041 -6.514 1.00 0.00 N ATOM 732 CA ILE A 47 -1.422 6.643 -7.022 1.00 0.00 C ATOM 733 C ILE A 47 -0.422 7.778 -6.794 1.00 0.00 C ATOM 734 O ILE A 47 0.651 7.560 -6.233 1.00 0.00 O ATOM 735 CB ILE A 47 -1.530 6.203 -8.483 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.905 4.821 -8.687 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.921 7.250 -9.418 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.596 3.772 -7.811 1.00 0.00 C ATOM 0 H ILE A 47 -3.383 7.355 -7.227 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.049 5.775 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.587 6.120 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.984 4.533 -9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.157 4.859 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.011 6.912 -10.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.449 8.196 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.132 7.389 -9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.133 2.799 -7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.495 4.050 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.653 3.719 -8.072 1.00 0.00 H new ATOM 750 N MET A 48 -0.808 8.964 -7.241 1.00 0.00 N ATOM 751 CA MET A 48 0.042 10.132 -7.092 1.00 0.00 C ATOM 752 C MET A 48 0.782 10.106 -5.754 1.00 0.00 C ATOM 753 O MET A 48 1.915 10.575 -5.657 1.00 0.00 O ATOM 754 CB MET A 48 -0.812 11.399 -7.179 1.00 0.00 C ATOM 755 CG MET A 48 -1.258 11.663 -8.619 1.00 0.00 C ATOM 756 SD MET A 48 -1.050 13.391 -9.015 1.00 0.00 S ATOM 757 CE MET A 48 0.504 13.323 -9.891 1.00 0.00 C ATOM 0 H MET A 48 -1.698 9.141 -7.706 1.00 0.00 H new ATOM 0 HA MET A 48 0.781 10.125 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.687 11.297 -6.537 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.243 12.252 -6.809 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.675 11.051 -9.307 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.302 11.376 -8.744 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.785 14.326 -10.212 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.276 12.923 -9.233 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.402 12.678 -10.764 1.00 0.00 H new ATOM 767 N GLY A 49 0.112 9.553 -4.754 1.00 0.00 N ATOM 768 CA GLY A 49 0.691 9.459 -3.425 1.00 0.00 C ATOM 769 C GLY A 49 1.589 8.225 -3.305 1.00 0.00 C ATOM 770 O GLY A 49 2.755 8.337 -2.929 1.00 0.00 O ATOM 0 H GLY A 49 -0.828 9.165 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.271 10.357 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.104 9.409 -2.681 1.00 0.00 H new ATOM 774 N VAL A 50 1.011 7.078 -3.630 1.00 0.00 N ATOM 775 CA VAL A 50 1.745 5.825 -3.564 1.00 0.00 C ATOM 776 C VAL A 50 2.998 5.927 -4.434 1.00 0.00 C ATOM 777 O VAL A 50 4.032 5.345 -4.110 1.00 0.00 O ATOM 778 CB VAL A 50 0.832 4.663 -3.961 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.575 3.328 -3.872 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.436 4.645 -3.105 1.00 0.00 C ATOM 0 H VAL A 50 0.043 6.990 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 50 2.074 5.627 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 50 0.532 4.810 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.904 2.518 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.433 3.344 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.918 3.170 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.067 3.810 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.165 4.533 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.980 5.579 -3.242 1.00 0.00 H new ATOM 790 N MET A 51 2.865 6.669 -5.523 1.00 0.00 N ATOM 791 CA MET A 51 3.974 6.853 -6.443 1.00 0.00 C ATOM 792 C MET A 51 5.017 7.810 -5.861 1.00 0.00 C ATOM 793 O MET A 51 6.211 7.516 -5.876 1.00 0.00 O ATOM 794 CB MET A 51 3.452 7.413 -7.768 1.00 0.00 C ATOM 795 CG MET A 51 2.465 6.444 -8.423 1.00 0.00 C ATOM 796 SD MET A 51 2.418 6.718 -10.185 1.00 0.00 S ATOM 797 CE MET A 51 4.157 6.587 -10.565 1.00 0.00 C ATOM 0 H MET A 51 2.006 7.150 -5.789 1.00 0.00 H new ATOM 0 HA MET A 51 4.448 5.885 -6.608 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.964 8.372 -7.594 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.288 7.598 -8.443 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.760 5.416 -8.214 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.471 6.583 -7.999 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.281 6.139 -11.551 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.607 7.580 -10.558 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.646 5.962 -9.818 1.00 0.00 H new ATOM 807 N SER A 52 4.527 8.935 -5.361 1.00 0.00 N ATOM 808 CA SER A 52 5.401 9.936 -4.774 1.00 0.00 C ATOM 809 C SER A 52 5.841 9.493 -3.377 1.00 0.00 C ATOM 810 O SER A 52 6.499 10.247 -2.662 1.00 0.00 O ATOM 811 CB SER A 52 4.710 11.300 -4.707 1.00 0.00 C ATOM 812 OG SER A 52 4.603 11.909 -5.990 1.00 0.00 O ATOM 0 H SER A 52 3.536 9.175 -5.350 1.00 0.00 H new ATOM 0 HA SER A 52 6.281 10.036 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.715 11.181 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.268 11.957 -4.040 1.00 0.00 H new ATOM 0 HG SER A 52 3.726 11.705 -6.377 1.00 0.00 H new ATOM 818 N LEU A 53 5.458 8.273 -3.031 1.00 0.00 N ATOM 819 CA LEU A 53 5.804 7.721 -1.732 1.00 0.00 C ATOM 820 C LEU A 53 7.216 7.133 -1.793 1.00 0.00 C ATOM 821 O LEU A 53 7.657 6.470 -0.854 1.00 0.00 O ATOM 822 CB LEU A 53 4.741 6.722 -1.274 1.00 0.00 C ATOM 823 CG LEU A 53 3.693 7.258 -0.296 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.777 6.136 0.195 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.356 8.007 0.862 1.00 0.00 C ATOM 0 H LEU A 53 4.912 7.651 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 53 5.817 8.506 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.225 6.341 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.244 5.875 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 53 3.066 7.976 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.042 6.544 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.264 5.687 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.372 5.376 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.589 8.378 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.021 7.331 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.930 8.847 0.471 1.00 0.00 H new ATOM 837 N GLY A 54 7.885 7.396 -2.905 1.00 0.00 N ATOM 838 CA GLY A 54 9.237 6.901 -3.100 1.00 0.00 C ATOM 839 C GLY A 54 9.414 5.523 -2.460 1.00 0.00 C ATOM 840 O GLY A 54 10.396 5.282 -1.759 1.00 0.00 O ATOM 0 H GLY A 54 7.516 7.946 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.456 6.842 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.951 7.602 -2.666 1.00 0.00 H new ATOM 844 N VAL A 55 8.448 4.654 -2.722 1.00 0.00 N ATOM 845 CA VAL A 55 8.484 3.308 -2.179 1.00 0.00 C ATOM 846 C VAL A 55 9.679 2.557 -2.771 1.00 0.00 C ATOM 847 O VAL A 55 9.506 1.552 -3.459 1.00 0.00 O ATOM 848 CB VAL A 55 7.150 2.604 -2.434 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.129 1.218 -1.787 1.00 0.00 C ATOM 850 CG2 VAL A 55 5.978 3.456 -1.943 1.00 0.00 C ATOM 0 H VAL A 55 7.635 4.857 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 55 8.619 3.336 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 55 7.041 2.473 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.170 0.739 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.931 0.609 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.272 1.317 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.042 2.933 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.080 3.633 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.976 4.410 -2.470 1.00 0.00 H new ATOM 860 N GLY A 56 10.864 3.073 -2.481 1.00 0.00 N ATOM 861 CA GLY A 56 12.087 2.464 -2.976 1.00 0.00 C ATOM 862 C GLY A 56 12.324 1.101 -2.322 1.00 0.00 C ATOM 863 O GLY A 56 11.648 0.745 -1.358 1.00 0.00 O ATOM 0 H GLY A 56 11.003 3.906 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.027 2.347 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.933 3.121 -2.773 1.00 0.00 H new ATOM 867 N LYS A 57 13.288 0.376 -2.872 1.00 0.00 N ATOM 868 CA LYS A 57 13.622 -0.940 -2.354 1.00 0.00 C ATOM 869 C LYS A 57 14.316 -0.789 -0.998 1.00 0.00 C ATOM 870 O LYS A 57 14.838 0.279 -0.680 1.00 0.00 O ATOM 871 CB LYS A 57 14.442 -1.727 -3.379 1.00 0.00 C ATOM 872 CG LYS A 57 14.167 -3.228 -3.266 1.00 0.00 C ATOM 873 CD LYS A 57 15.281 -4.041 -3.928 1.00 0.00 C ATOM 874 CE LYS A 57 16.593 -3.904 -3.153 1.00 0.00 C ATOM 875 NZ LYS A 57 16.824 -5.099 -2.311 1.00 0.00 N ATOM 0 H LYS A 57 13.848 0.675 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 57 12.717 -1.524 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.199 -1.384 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.504 -1.536 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.083 -3.508 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.212 -3.463 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.991 -5.091 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.423 -3.702 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.422 -3.776 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.562 -3.012 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.718 -4.990 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.041 -5.203 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.875 -5.944 -2.915 1.00 0.00 H new ATOM 889 N ASP A 58 14.299 -1.872 -0.236 1.00 0.00 N ATOM 890 CA ASP A 58 14.919 -1.873 1.078 1.00 0.00 C ATOM 891 C ASP A 58 14.164 -0.907 1.994 1.00 0.00 C ATOM 892 O ASP A 58 14.574 -0.678 3.130 1.00 0.00 O ATOM 893 CB ASP A 58 16.375 -1.412 0.999 1.00 0.00 C ATOM 894 CG ASP A 58 16.972 -0.931 2.323 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.222 -1.729 3.238 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.186 0.340 2.396 1.00 0.00 O ATOM 0 H ASP A 58 13.865 -2.756 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 58 14.884 -2.890 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.981 -2.235 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.446 -0.604 0.271 1.00 0.00 H new ATOM 902 N ALA A 59 13.077 -0.366 1.464 1.00 0.00 N ATOM 903 CA ALA A 59 12.262 0.570 2.219 1.00 0.00 C ATOM 904 C ALA A 59 11.049 -0.164 2.792 1.00 0.00 C ATOM 905 O ALA A 59 10.425 -0.971 2.104 1.00 0.00 O ATOM 906 CB ALA A 59 11.864 1.742 1.320 1.00 0.00 C ATOM 0 H ALA A 59 12.742 -0.558 0.520 1.00 0.00 H new ATOM 0 HA ALA A 59 12.825 0.980 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.252 2.444 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.761 2.248 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.294 1.370 0.468 1.00 0.00 H new ATOM 912 N GLU A 60 10.750 0.143 4.046 1.00 0.00 N ATOM 913 CA GLU A 60 9.621 -0.478 4.719 1.00 0.00 C ATOM 914 C GLU A 60 8.390 0.427 4.635 1.00 0.00 C ATOM 915 O GLU A 60 8.416 1.563 5.107 1.00 0.00 O ATOM 916 CB GLU A 60 9.962 -0.805 6.174 1.00 0.00 C ATOM 917 CG GLU A 60 11.086 -1.840 6.254 1.00 0.00 C ATOM 918 CD GLU A 60 11.699 -1.878 7.655 1.00 0.00 C ATOM 919 OE1 GLU A 60 11.536 -0.922 8.428 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.363 -2.948 7.932 1.00 0.00 O ATOM 0 H GLU A 60 11.269 0.813 4.613 1.00 0.00 H new ATOM 0 HA GLU A 60 9.394 -1.417 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.263 0.105 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.076 -1.185 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.697 -2.825 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.858 -1.601 5.522 1.00 0.00 H new ATOM 928 N ILE A 61 7.340 -0.110 4.032 1.00 0.00 N ATOM 929 CA ILE A 61 6.101 0.634 3.880 1.00 0.00 C ATOM 930 C ILE A 61 5.040 0.047 4.812 1.00 0.00 C ATOM 931 O ILE A 61 5.278 -0.967 5.467 1.00 0.00 O ATOM 932 CB ILE A 61 5.676 0.673 2.410 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.741 -0.722 1.784 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.505 1.693 1.626 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.654 -0.896 0.722 1.00 0.00 C ATOM 0 H ILE A 61 7.322 -1.052 3.642 1.00 0.00 H new ATOM 0 HA ILE A 61 6.243 1.674 4.174 1.00 0.00 H new ATOM 0 HB ILE A 61 4.637 0.999 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.722 -0.878 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.622 -1.479 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.183 1.701 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.364 2.684 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.559 1.422 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.722 -1.895 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.674 -0.763 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.791 -0.153 -0.064 1.00 0.00 H new ATOM 947 N THR A 62 3.893 0.708 4.842 1.00 0.00 N ATOM 948 CA THR A 62 2.794 0.264 5.683 1.00 0.00 C ATOM 949 C THR A 62 1.456 0.708 5.091 1.00 0.00 C ATOM 950 O THR A 62 1.404 1.646 4.296 1.00 0.00 O ATOM 951 CB THR A 62 3.039 0.793 7.098 1.00 0.00 C ATOM 952 OG1 THR A 62 4.241 0.146 7.507 1.00 0.00 O ATOM 953 CG2 THR A 62 1.991 0.298 8.096 1.00 0.00 C ATOM 0 H THR A 62 3.700 1.548 4.297 1.00 0.00 H new ATOM 0 HA THR A 62 2.746 -0.824 5.731 1.00 0.00 H new ATOM 0 HB THR A 62 3.041 1.883 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.476 -0.548 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.210 0.702 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.002 0.630 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.013 -0.791 8.136 1.00 0.00 H new ATOM 961 N ILE A 63 0.404 0.014 5.500 1.00 0.00 N ATOM 962 CA ILE A 63 -0.931 0.325 5.020 1.00 0.00 C ATOM 963 C ILE A 63 -1.927 0.195 6.174 1.00 0.00 C ATOM 964 O ILE A 63 -1.904 -0.789 6.911 1.00 0.00 O ATOM 965 CB ILE A 63 -1.280 -0.541 3.808 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.472 -2.004 4.215 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.231 -0.387 2.704 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.877 -2.493 3.856 1.00 0.00 C ATOM 0 H ILE A 63 0.450 -0.763 6.159 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.979 1.357 4.671 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.230 -0.193 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.728 -2.625 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.309 -2.111 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.503 -1.013 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.186 0.655 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.744 -0.693 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.987 -3.535 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.618 -1.886 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.028 -2.407 2.780 1.00 0.00 H new ATOM 980 N TYR A 64 -2.776 1.204 6.296 1.00 0.00 N ATOM 981 CA TYR A 64 -3.778 1.217 7.350 1.00 0.00 C ATOM 982 C TYR A 64 -5.166 0.901 6.789 1.00 0.00 C ATOM 983 O TYR A 64 -5.397 1.023 5.586 1.00 0.00 O ATOM 984 CB TYR A 64 -3.781 2.639 7.914 1.00 0.00 C ATOM 985 CG TYR A 64 -2.509 3.006 8.681 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.286 2.985 8.042 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.584 3.356 10.014 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.089 3.330 8.764 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.388 3.702 10.737 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.198 3.672 10.076 1.00 0.00 C ATOM 991 OH TYR A 64 0.931 3.998 10.758 1.00 0.00 O ATOM 0 H TYR A 64 -2.792 2.019 5.683 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.547 0.468 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.915 3.344 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.639 2.754 8.577 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.227 2.710 6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.541 3.370 10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.874 3.318 8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.434 3.979 11.780 1.00 0.00 H new ATOM 0 HH TYR A 64 1.339 4.793 10.355 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.056 0.502 7.687 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.415 0.168 7.296 1.00 0.00 C ATOM 1003 C ALA A 65 -8.343 0.345 8.499 1.00 0.00 C ATOM 1004 O ALA A 65 -8.141 -0.277 9.541 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.450 -1.255 6.736 1.00 0.00 C ATOM 0 H ALA A 65 -5.862 0.403 8.683 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.764 0.836 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.469 -1.506 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.796 -1.320 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.110 -1.955 7.499 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.343 1.195 8.315 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.304 1.461 9.373 1.00 0.00 C ATOM 1013 C ASP A 66 -11.720 1.395 8.797 1.00 0.00 C ATOM 1014 O ASP A 66 -12.209 2.371 8.229 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.099 2.856 9.966 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.647 3.044 11.381 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.485 4.111 11.992 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.272 2.024 11.864 1.00 0.00 O ATOM 0 H ASP A 66 -9.509 1.708 7.449 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.162 0.714 10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.032 3.078 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.572 3.586 9.309 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.339 0.235 8.963 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.689 0.030 8.467 1.00 0.00 C ATOM 1026 C GLY A 67 -14.223 -1.343 8.882 1.00 0.00 C ATOM 1027 O GLY A 67 -13.874 -1.853 9.945 1.00 0.00 O ATOM 0 H GLY A 67 -11.930 -0.572 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.344 0.811 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.698 0.114 7.380 1.00 0.00 H new ATOM 1031 N SER A 68 -15.059 -1.902 8.020 1.00 0.00 N ATOM 1032 CA SER A 68 -15.644 -3.206 8.282 1.00 0.00 C ATOM 1033 C SER A 68 -14.826 -4.296 7.587 1.00 0.00 C ATOM 1034 O SER A 68 -14.785 -5.435 8.048 1.00 0.00 O ATOM 1035 CB SER A 68 -17.101 -3.259 7.820 1.00 0.00 C ATOM 1036 OG SER A 68 -17.872 -2.188 8.358 1.00 0.00 O ATOM 0 H SER A 68 -15.345 -1.476 7.139 1.00 0.00 H new ATOM 0 HA SER A 68 -15.626 -3.379 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.138 -3.221 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.542 -4.209 8.120 1.00 0.00 H new ATOM 0 HG SER A 68 -18.796 -2.257 8.038 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.195 -3.908 6.489 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.381 -4.838 5.725 1.00 0.00 C ATOM 1044 C ASP A 69 -11.902 -4.508 5.937 1.00 0.00 C ATOM 1045 O ASP A 69 -11.031 -5.134 5.338 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.679 -4.732 4.228 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.697 -3.654 3.847 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.646 -2.521 4.350 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.581 -4.020 2.983 1.00 0.00 O ATOM 0 H ASP A 69 -14.231 -2.962 6.110 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.612 -5.847 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.746 -4.533 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.045 -5.697 3.876 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.665 -3.522 6.791 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.307 -3.101 7.089 1.00 0.00 C ATOM 1057 C GLU A 70 -9.354 -4.296 7.026 1.00 0.00 C ATOM 1058 O GLU A 70 -8.490 -4.361 6.153 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.234 -2.412 8.453 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.125 -3.122 9.474 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.296 -3.671 10.637 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -9.943 -4.860 10.640 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.020 -2.814 11.561 1.00 0.00 O ATOM 0 H GLU A 70 -12.391 -3.003 7.285 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.999 -2.376 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.203 -2.406 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.544 -1.371 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.875 -2.427 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.662 -3.937 8.989 1.00 0.00 H new ATOM 1071 N SER A 71 -9.544 -5.213 7.964 1.00 0.00 N ATOM 1072 CA SER A 71 -8.712 -6.402 8.026 1.00 0.00 C ATOM 1073 C SER A 71 -8.716 -7.115 6.672 1.00 0.00 C ATOM 1074 O SER A 71 -7.669 -7.548 6.191 1.00 0.00 O ATOM 1075 CB SER A 71 -9.189 -7.352 9.126 1.00 0.00 C ATOM 1076 OG SER A 71 -8.305 -7.363 10.243 1.00 0.00 O ATOM 0 H SER A 71 -10.262 -5.156 8.687 1.00 0.00 H new ATOM 0 HA SER A 71 -7.694 -6.094 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.185 -7.055 9.455 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.275 -8.361 8.722 1.00 0.00 H new ATOM 0 HG SER A 71 -8.374 -6.512 10.723 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.904 -7.215 6.095 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.058 -7.868 4.806 1.00 0.00 C ATOM 1084 C ASP A 72 -9.233 -7.118 3.758 1.00 0.00 C ATOM 1085 O ASP A 72 -8.655 -7.731 2.862 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.519 -7.856 4.354 1.00 0.00 C ATOM 1087 CG ASP A 72 -12.220 -9.217 4.397 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -13.053 -9.477 5.277 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.874 -10.038 3.465 1.00 0.00 O ATOM 0 H ASP A 72 -10.770 -6.855 6.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.720 -8.899 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.073 -7.159 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.565 -7.472 3.335 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.206 -5.801 3.905 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.461 -4.960 2.983 1.00 0.00 C ATOM 1097 C ALA A 73 -6.962 -5.174 3.200 1.00 0.00 C ATOM 1098 O ALA A 73 -6.182 -5.137 2.250 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.876 -3.500 3.173 1.00 0.00 C ATOM 0 H ALA A 73 -9.688 -5.296 4.649 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.686 -5.230 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.317 -2.870 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.943 -3.397 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.664 -3.192 4.197 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.605 -5.393 4.457 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.213 -5.613 4.812 1.00 0.00 C ATOM 1107 C ILE A 74 -4.769 -6.981 4.291 1.00 0.00 C ATOM 1108 O ILE A 74 -3.615 -7.156 3.903 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.009 -5.432 6.318 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -3.994 -4.324 6.604 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.617 -6.754 6.980 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.598 -3.249 7.510 1.00 0.00 C ATOM 0 H ILE A 74 -7.255 -5.423 5.242 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.576 -4.868 4.336 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.957 -5.121 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.109 -4.749 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.668 -3.874 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.478 -6.598 8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.406 -7.489 6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.687 -7.118 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.856 -2.473 7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.468 -2.809 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.901 -3.698 8.456 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.707 -7.916 4.300 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.427 -9.263 3.832 1.00 0.00 C ATOM 1126 C GLN A 75 -5.256 -9.273 2.313 1.00 0.00 C ATOM 1127 O GLN A 75 -4.515 -10.094 1.773 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.526 -10.234 4.268 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.411 -10.562 5.758 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.982 -10.970 6.121 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.228 -9.966 6.562 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.589 -12.119 6.007 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.663 -7.768 4.624 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.493 -9.597 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.504 -9.798 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.458 -11.152 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.707 -9.695 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.099 -11.369 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.220 -12.842 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.629 -12.357 6.257 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.953 -8.351 1.665 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.886 -8.244 0.217 1.00 0.00 C ATOM 1143 C ALA A 76 -4.589 -7.537 -0.179 1.00 0.00 C ATOM 1144 O ALA A 76 -3.941 -7.921 -1.151 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.130 -7.514 -0.297 1.00 0.00 C ATOM 0 H ALA A 76 -6.566 -7.672 2.115 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.874 -9.233 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.082 -7.433 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.022 -8.072 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.173 -6.516 0.140 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.250 -6.516 0.594 1.00 0.00 N ATOM 1152 CA ILE A 77 -3.041 -5.751 0.336 1.00 0.00 C ATOM 1153 C ILE A 77 -1.837 -6.693 0.339 1.00 0.00 C ATOM 1154 O ILE A 77 -1.271 -6.988 -0.713 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.919 -4.592 1.326 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.540 -3.315 0.756 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.463 -4.382 1.748 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.900 -3.032 1.397 1.00 0.00 C ATOM 0 H ILE A 77 -4.791 -6.200 1.399 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.084 -5.292 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.481 -4.850 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.870 -2.472 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.656 -3.414 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.404 -3.552 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.088 -5.288 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.859 -4.156 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.319 -2.119 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.575 -3.865 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.777 -2.910 2.473 1.00 0.00 H new ATOM 1170 N SER A 78 -1.478 -7.140 1.534 1.00 0.00 N ATOM 1171 CA SER A 78 -0.351 -8.044 1.688 1.00 0.00 C ATOM 1172 C SER A 78 -0.343 -9.071 0.554 1.00 0.00 C ATOM 1173 O SER A 78 0.719 -9.500 0.108 1.00 0.00 O ATOM 1174 CB SER A 78 -0.393 -8.750 3.044 1.00 0.00 C ATOM 1175 OG SER A 78 0.857 -8.678 3.723 1.00 0.00 O ATOM 0 H SER A 78 -1.948 -6.893 2.405 1.00 0.00 H new ATOM 0 HA SER A 78 0.566 -7.457 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.168 -8.299 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.668 -9.795 2.900 1.00 0.00 H new ATOM 0 HG SER A 78 0.934 -7.812 4.175 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.541 -9.435 0.122 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.687 -10.403 -0.951 1.00 0.00 C ATOM 1183 C ASP A 79 -1.193 -9.786 -2.261 1.00 0.00 C ATOM 1184 O ASP A 79 -0.423 -10.405 -2.993 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.152 -10.803 -1.139 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.376 -12.074 -1.961 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.299 -12.147 -2.786 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.543 -13.030 -1.723 1.00 0.00 O ATOM 0 H ASP A 79 -2.420 -9.077 0.496 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.104 -11.286 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.604 -10.939 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.679 -9.979 -1.621 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.658 -8.571 -2.517 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.274 -7.863 -3.726 1.00 0.00 C ATOM 1196 C VAL A 80 0.224 -7.556 -3.678 1.00 0.00 C ATOM 1197 O VAL A 80 0.916 -7.661 -4.690 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.136 -6.609 -3.894 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.768 -5.859 -5.175 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.624 -6.961 -3.872 1.00 0.00 C ATOM 0 H VAL A 80 -2.297 -8.060 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.451 -8.483 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.936 -5.948 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.395 -4.972 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.721 -5.560 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.926 -6.509 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.215 -6.053 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.847 -7.650 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.873 -7.431 -2.921 1.00 0.00 H new ATOM 1210 N LEU A 81 0.682 -7.182 -2.492 1.00 0.00 N ATOM 1211 CA LEU A 81 2.085 -6.860 -2.298 1.00 0.00 C ATOM 1212 C LEU A 81 2.932 -8.104 -2.574 1.00 0.00 C ATOM 1213 O LEU A 81 3.900 -8.045 -3.331 1.00 0.00 O ATOM 1214 CB LEU A 81 2.310 -6.257 -0.911 1.00 0.00 C ATOM 1215 CG LEU A 81 1.701 -4.874 -0.672 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.584 -4.577 0.823 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.490 -3.792 -1.413 1.00 0.00 C ATOM 0 H LEU A 81 0.105 -7.095 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 81 2.402 -6.095 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.904 -6.944 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.384 -6.194 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 81 0.690 -4.871 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.148 -3.588 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.946 -5.325 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.574 -4.606 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.036 -2.819 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.521 -3.786 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.476 -4.000 -2.483 1.00 0.00 H new ATOM 1229 N SER A 82 2.537 -9.201 -1.945 1.00 0.00 N ATOM 1230 CA SER A 82 3.249 -10.457 -2.112 1.00 0.00 C ATOM 1231 C SER A 82 2.930 -11.060 -3.482 1.00 0.00 C ATOM 1232 O SER A 82 3.757 -11.759 -4.064 1.00 0.00 O ATOM 1233 CB SER A 82 2.890 -11.445 -1.000 1.00 0.00 C ATOM 1234 OG SER A 82 3.608 -11.180 0.202 1.00 0.00 O ATOM 0 H SER A 82 1.733 -9.246 -1.319 1.00 0.00 H new ATOM 0 HA SER A 82 4.319 -10.256 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.819 -11.394 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.104 -12.460 -1.334 1.00 0.00 H new ATOM 0 HG SER A 82 3.350 -11.831 0.888 1.00 0.00 H new ATOM 1240 N LYS A 83 1.729 -10.767 -3.957 1.00 0.00 N ATOM 1241 CA LYS A 83 1.291 -11.272 -5.247 1.00 0.00 C ATOM 1242 C LYS A 83 2.280 -10.827 -6.326 1.00 0.00 C ATOM 1243 O LYS A 83 2.621 -11.602 -7.217 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.154 -10.849 -5.525 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.143 -11.842 -4.911 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.023 -12.477 -5.990 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.141 -13.312 -5.364 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.822 -14.126 -6.396 1.00 0.00 N ATOM 0 H LYS A 83 1.045 -10.186 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 83 1.286 -12.362 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.331 -9.854 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.318 -10.785 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.598 -12.620 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.769 -11.332 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.454 -11.697 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.413 -13.107 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.728 -13.963 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.862 -12.657 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.578 -14.686 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.233 -13.499 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.134 -14.765 -6.844 1.00 0.00 H new ATOM 1262 N GLU A 84 2.713 -9.580 -6.210 1.00 0.00 N ATOM 1263 CA GLU A 84 3.655 -9.022 -7.164 1.00 0.00 C ATOM 1264 C GLU A 84 5.088 -9.391 -6.772 1.00 0.00 C ATOM 1265 O GLU A 84 5.879 -9.808 -7.617 1.00 0.00 O ATOM 1266 CB GLU A 84 3.491 -7.506 -7.276 1.00 0.00 C ATOM 1267 CG GLU A 84 2.025 -7.100 -7.114 1.00 0.00 C ATOM 1268 CD GLU A 84 1.554 -6.259 -8.303 1.00 0.00 C ATOM 1269 OE1 GLU A 84 1.914 -6.554 -9.452 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.786 -5.268 -8.000 1.00 0.00 O ATOM 0 H GLU A 84 2.428 -8.940 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 84 3.445 -9.450 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.095 -7.014 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.861 -7.167 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.405 -7.992 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.901 -6.533 -6.191 1.00 0.00 H new ATOM 1278 N GLY A 85 5.377 -9.225 -5.490 1.00 0.00 N ATOM 1279 CA GLY A 85 6.701 -9.536 -4.976 1.00 0.00 C ATOM 1280 C GLY A 85 7.495 -8.257 -4.698 1.00 0.00 C ATOM 1281 O GLY A 85 8.725 -8.267 -4.727 1.00 0.00 O ATOM 0 H GLY A 85 4.718 -8.880 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.612 -10.119 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.239 -10.153 -5.696 1.00 0.00 H new ATOM 1285 N LEU A 86 6.759 -7.187 -4.435 1.00 0.00 N ATOM 1286 CA LEU A 86 7.379 -5.904 -4.152 1.00 0.00 C ATOM 1287 C LEU A 86 7.890 -5.896 -2.710 1.00 0.00 C ATOM 1288 O LEU A 86 8.724 -5.068 -2.348 1.00 0.00 O ATOM 1289 CB LEU A 86 6.413 -4.761 -4.469 1.00 0.00 C ATOM 1290 CG LEU A 86 5.866 -4.721 -5.897 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.413 -4.243 -5.915 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.760 -3.871 -6.803 1.00 0.00 C ATOM 0 H LEU A 86 5.739 -7.182 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 86 8.244 -5.748 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.571 -4.822 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.920 -3.817 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 86 5.876 -5.736 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.049 -4.224 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.799 -4.923 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.354 -3.241 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.349 -3.859 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.805 -2.852 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.764 -4.295 -6.825 1.00 0.00 H new ATOM 1304 N THR A 87 7.369 -6.828 -1.926 1.00 0.00 N ATOM 1305 CA THR A 87 7.760 -6.939 -0.532 1.00 0.00 C ATOM 1306 C THR A 87 8.150 -8.381 -0.199 1.00 0.00 C ATOM 1307 O THR A 87 8.034 -9.269 -1.043 1.00 0.00 O ATOM 1308 CB THR A 87 6.611 -6.406 0.327 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.672 -7.478 0.353 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.854 -5.263 -0.351 1.00 0.00 C ATOM 0 H THR A 87 6.678 -7.514 -2.231 1.00 0.00 H new ATOM 0 HA THR A 87 8.646 -6.340 -0.322 1.00 0.00 H new ATOM 0 HB THR A 87 7.002 -6.063 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.895 -7.219 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.050 -4.922 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.539 -4.437 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.433 -5.614 -1.293 1.00 0.00 H new ATOM 1318 N LYS A 88 8.604 -8.569 1.031 1.00 0.00 N ATOM 1319 CA LYS A 88 9.010 -9.889 1.484 1.00 0.00 C ATOM 1320 C LYS A 88 7.796 -10.819 1.484 1.00 0.00 C ATOM 1321 O LYS A 88 7.380 -11.302 0.433 1.00 0.00 O ATOM 1322 CB LYS A 88 9.714 -9.795 2.840 1.00 0.00 C ATOM 1323 CG LYS A 88 8.709 -9.914 3.988 1.00 0.00 C ATOM 1324 CD LYS A 88 7.552 -8.929 3.808 1.00 0.00 C ATOM 1325 CE LYS A 88 6.758 -8.775 5.107 1.00 0.00 C ATOM 1326 NZ LYS A 88 7.550 -8.034 6.114 1.00 0.00 N ATOM 0 H LYS A 88 8.700 -7.830 1.728 1.00 0.00 H new ATOM 0 HA LYS A 88 9.741 -10.320 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.461 -10.585 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.245 -8.846 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.321 -10.932 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.211 -9.722 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.940 -7.959 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.893 -9.278 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.825 -8.247 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.492 -9.758 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.357 -8.420 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.563 -8.132 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.287 -7.028 6.091 1.00 0.00 H new