USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 16 LYS NZ :NH3+ -151:sc= 0.228 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot 85:sc= 0.144 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 1 SER N :NH3+ -145:sc= 0.00455 (180deg=0) USER MOD Single : A 1 SER OG : rot 39:sc= 0.502 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 96:sc= 0.831 USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= 0.596 (180deg=0.177) USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.507 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0109 (180deg=-0.138) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.56 K(o=-0.56,f=-5.1!) USER MOD Single : A 26 SER OG : rot -108:sc= 0.492 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= -2.31! (180deg=-2.67!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -116:sc= 0.101 (180deg=0.00307) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0485 (180deg=-0.29) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.444 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.843 16.047 9.644 1.00 0.00 N ATOM 2 CA SER A 1 0.221 14.769 9.203 1.00 0.00 C ATOM 3 C SER A 1 0.888 14.243 7.932 1.00 0.00 C ATOM 4 O SER A 1 0.725 14.812 6.850 1.00 0.00 O ATOM 5 CB SER A 1 -1.283 14.961 8.967 1.00 0.00 C ATOM 6 OG SER A 1 -1.530 15.997 8.031 1.00 0.00 O ATOM 0 H1 SER A 1 0.852 16.088 10.683 1.00 0.00 H new ATOM 0 H2 SER A 1 1.818 16.100 9.287 1.00 0.00 H new ATOM 0 H3 SER A 1 0.294 16.847 9.271 1.00 0.00 H new ATOM 0 HA SER A 1 0.366 14.034 9.995 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.718 14.030 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.774 15.196 9.911 1.00 0.00 H new ATOM 0 HG SER A 1 -0.861 15.958 7.316 1.00 0.00 H new ATOM 14 N ASP A 2 1.649 13.160 8.078 1.00 0.00 N ATOM 15 CA ASP A 2 2.350 12.547 6.952 1.00 0.00 C ATOM 16 C ASP A 2 1.933 11.089 6.761 1.00 0.00 C ATOM 17 O ASP A 2 1.143 10.548 7.539 1.00 0.00 O ATOM 18 CB ASP A 2 3.865 12.630 7.165 1.00 0.00 C ATOM 19 CG ASP A 2 4.405 14.031 6.952 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.453 14.805 7.930 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.781 14.353 5.804 1.00 0.00 O ATOM 0 H ASP A 2 1.796 12.687 8.970 1.00 0.00 H new ATOM 0 HA ASP A 2 2.079 13.098 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.105 12.301 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.363 11.944 6.480 1.00 0.00 H new ATOM 26 N VAL A 3 2.473 10.462 5.716 1.00 0.00 N ATOM 27 CA VAL A 3 2.172 9.066 5.412 1.00 0.00 C ATOM 28 C VAL A 3 2.771 8.127 6.462 1.00 0.00 C ATOM 29 O VAL A 3 2.182 7.093 6.781 1.00 0.00 O ATOM 30 CB VAL A 3 2.685 8.670 4.008 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.208 8.639 3.966 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.103 7.329 3.582 1.00 0.00 C ATOM 0 H VAL A 3 3.123 10.902 5.065 1.00 0.00 H new ATOM 0 HA VAL A 3 1.087 8.965 5.428 1.00 0.00 H new ATOM 0 HB VAL A 3 2.349 9.429 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.539 8.357 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.599 9.626 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.577 7.911 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.476 7.069 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.400 6.560 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.015 7.397 3.554 1.00 0.00 H new ATOM 42 N TRP A 4 3.938 8.494 7.002 1.00 0.00 N ATOM 43 CA TRP A 4 4.601 7.678 8.017 1.00 0.00 C ATOM 44 C TRP A 4 3.970 7.913 9.389 1.00 0.00 C ATOM 45 O TRP A 4 3.763 6.967 10.150 1.00 0.00 O ATOM 46 CB TRP A 4 6.104 7.985 8.062 1.00 0.00 C ATOM 47 CG TRP A 4 6.964 6.755 8.095 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.838 5.687 8.936 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.088 6.470 7.251 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.809 4.754 8.666 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.590 5.212 7.637 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.717 7.154 6.207 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.690 4.626 7.015 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.809 6.572 5.591 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.286 5.319 5.996 1.00 0.00 C ATOM 0 H TRP A 4 4.439 9.347 6.753 1.00 0.00 H new ATOM 0 HA TRP A 4 4.471 6.629 7.750 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.371 8.583 7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.317 8.592 8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.084 5.590 9.703 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.929 3.865 9.152 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.356 8.120 5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.059 3.660 7.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.303 7.092 4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.141 4.891 5.494 1.00 0.00 H new ATOM 66 N SER A 5 3.669 9.180 9.705 1.00 0.00 N ATOM 67 CA SER A 5 3.028 9.522 10.975 1.00 0.00 C ATOM 68 C SER A 5 1.676 8.818 11.074 1.00 0.00 C ATOM 69 O SER A 5 1.395 8.126 12.054 1.00 0.00 O ATOM 70 CB SER A 5 2.838 11.039 11.090 1.00 0.00 C ATOM 71 OG SER A 5 2.210 11.385 12.313 1.00 0.00 O ATOM 0 H SER A 5 3.859 9.979 9.100 1.00 0.00 H new ATOM 0 HA SER A 5 3.669 9.191 11.792 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.806 11.536 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.236 11.397 10.255 1.00 0.00 H new ATOM 0 HG SER A 5 2.102 12.358 12.362 1.00 0.00 H new ATOM 77 N LEU A 6 0.845 9.004 10.047 1.00 0.00 N ATOM 78 CA LEU A 6 -0.476 8.389 9.999 1.00 0.00 C ATOM 79 C LEU A 6 -0.418 7.074 9.226 1.00 0.00 C ATOM 80 O LEU A 6 -0.642 7.040 8.014 1.00 0.00 O ATOM 81 CB LEU A 6 -1.487 9.343 9.353 1.00 0.00 C ATOM 82 CG LEU A 6 -1.708 10.662 10.100 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.593 11.594 9.286 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.325 10.404 11.469 1.00 0.00 C ATOM 0 H LEU A 6 1.068 9.579 9.235 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.800 8.181 11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.153 9.569 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.444 8.828 9.266 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.740 11.142 10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.739 12.526 9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.116 11.805 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.559 11.120 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.475 11.352 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.285 9.902 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.658 9.773 12.056 1.00 0.00 H new ATOM 96 N SER A 7 -0.096 5.996 9.937 1.00 0.00 N ATOM 97 CA SER A 7 0.007 4.671 9.330 1.00 0.00 C ATOM 98 C SER A 7 -1.000 3.679 9.925 1.00 0.00 C ATOM 99 O SER A 7 -0.901 2.473 9.692 1.00 0.00 O ATOM 100 CB SER A 7 1.432 4.132 9.483 1.00 0.00 C ATOM 101 OG SER A 7 2.354 4.910 8.741 1.00 0.00 O ATOM 0 H SER A 7 0.099 6.014 10.938 1.00 0.00 H new ATOM 0 HA SER A 7 -0.231 4.779 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.714 4.135 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.471 3.096 9.145 1.00 0.00 H new ATOM 0 HG SER A 7 2.768 5.576 9.329 1.00 0.00 H new ATOM 107 N LYS A 8 -1.972 4.190 10.687 1.00 0.00 N ATOM 108 CA LYS A 8 -2.996 3.346 11.300 1.00 0.00 C ATOM 109 C LYS A 8 -4.331 3.443 10.545 1.00 0.00 C ATOM 110 O LYS A 8 -5.387 3.124 11.097 1.00 0.00 O ATOM 111 CB LYS A 8 -3.193 3.751 12.765 1.00 0.00 C ATOM 112 CG LYS A 8 -1.931 3.634 13.610 1.00 0.00 C ATOM 113 CD LYS A 8 -1.570 2.183 13.883 1.00 0.00 C ATOM 114 CE LYS A 8 -0.262 2.071 14.652 1.00 0.00 C ATOM 115 NZ LYS A 8 0.022 0.670 15.067 1.00 0.00 N ATOM 0 H LYS A 8 -2.069 5.184 10.893 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.657 2.311 11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.550 4.780 12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.972 3.127 13.203 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.103 4.125 13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.076 4.157 14.555 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.370 1.708 14.452 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.486 1.644 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.556 2.438 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.304 2.709 15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.495 0.671 15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.870 0.140 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.640 0.218 14.363 1.00 0.00 H new ATOM 129 N THR A 9 -4.278 3.872 9.278 1.00 0.00 N ATOM 130 CA THR A 9 -5.479 4.009 8.456 1.00 0.00 C ATOM 131 C THR A 9 -5.479 2.998 7.306 1.00 0.00 C ATOM 132 O THR A 9 -4.636 3.064 6.409 1.00 0.00 O ATOM 133 CB THR A 9 -5.614 5.435 7.877 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.455 5.769 7.097 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.797 6.457 8.990 1.00 0.00 C ATOM 0 H THR A 9 -3.413 4.130 8.802 1.00 0.00 H new ATOM 0 HA THR A 9 -6.330 3.813 9.109 1.00 0.00 H new ATOM 0 HB THR A 9 -6.495 5.457 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.076 4.953 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.890 7.453 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.699 6.222 9.556 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.934 6.429 9.655 1.00 0.00 H new ATOM 143 N SER A 10 -6.431 2.064 7.342 1.00 0.00 N ATOM 144 CA SER A 10 -6.544 1.035 6.308 1.00 0.00 C ATOM 145 C SER A 10 -7.623 1.388 5.283 1.00 0.00 C ATOM 146 O SER A 10 -8.402 2.324 5.481 1.00 0.00 O ATOM 147 CB SER A 10 -6.860 -0.323 6.946 1.00 0.00 C ATOM 148 OG SER A 10 -8.064 -0.272 7.694 1.00 0.00 O ATOM 0 H SER A 10 -7.135 1.999 8.077 1.00 0.00 H new ATOM 0 HA SER A 10 -5.587 0.979 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.944 -1.082 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.038 -0.622 7.596 1.00 0.00 H new ATOM 0 HG SER A 10 -8.242 -1.152 8.088 1.00 0.00 H new ATOM 154 N MET A 11 -7.656 0.631 4.187 1.00 0.00 N ATOM 155 CA MET A 11 -8.638 0.842 3.126 1.00 0.00 C ATOM 156 C MET A 11 -9.201 -0.494 2.652 1.00 0.00 C ATOM 157 O MET A 11 -8.473 -1.484 2.551 1.00 0.00 O ATOM 158 CB MET A 11 -8.007 1.594 1.949 1.00 0.00 C ATOM 159 CG MET A 11 -9.014 2.080 0.919 1.00 0.00 C ATOM 160 SD MET A 11 -10.146 3.316 1.586 1.00 0.00 S ATOM 161 CE MET A 11 -11.128 3.695 0.138 1.00 0.00 C ATOM 0 H MET A 11 -7.010 -0.138 4.011 1.00 0.00 H new ATOM 0 HA MET A 11 -9.452 1.445 3.528 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.452 2.450 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.286 0.941 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.482 2.502 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.587 1.231 0.548 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.875 4.447 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.481 4.078 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.627 2.791 -0.210 1.00 0.00 H new ATOM 171 N THR A 12 -10.499 -0.516 2.362 1.00 0.00 N ATOM 172 CA THR A 12 -11.161 -1.734 1.908 1.00 0.00 C ATOM 173 C THR A 12 -11.118 -1.865 0.387 1.00 0.00 C ATOM 174 O THR A 12 -11.654 -1.023 -0.337 1.00 0.00 O ATOM 175 CB THR A 12 -12.630 -1.787 2.380 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.689 -1.677 3.807 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.297 -3.084 1.940 1.00 0.00 C ATOM 0 H THR A 12 -11.113 0.296 2.433 1.00 0.00 H new ATOM 0 HA THR A 12 -10.614 -2.567 2.350 1.00 0.00 H new ATOM 0 HB THR A 12 -13.163 -0.951 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.624 -1.710 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.331 -3.097 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.276 -3.153 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.762 -3.932 2.367 1.00 0.00 H new ATOM 185 N PHE A 13 -10.473 -2.930 -0.086 1.00 0.00 N ATOM 186 CA PHE A 13 -10.365 -3.204 -1.515 1.00 0.00 C ATOM 187 C PHE A 13 -11.473 -4.158 -1.943 1.00 0.00 C ATOM 188 O PHE A 13 -11.903 -5.016 -1.169 1.00 0.00 O ATOM 189 CB PHE A 13 -8.993 -3.798 -1.849 1.00 0.00 C ATOM 190 CG PHE A 13 -7.886 -2.781 -1.906 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.126 -1.491 -2.359 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.603 -3.118 -1.510 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.107 -0.560 -2.413 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.581 -2.192 -1.564 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.833 -0.911 -2.015 1.00 0.00 C ATOM 0 H PHE A 13 -10.014 -3.622 0.507 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.472 -2.266 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.743 -4.552 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.053 -4.309 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.121 -1.212 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.399 -4.117 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.307 0.441 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.584 -2.469 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.034 -0.185 -2.056 1.00 0.00 H new ATOM 205 N GLN A 14 -11.927 -4.002 -3.184 1.00 0.00 N ATOM 206 CA GLN A 14 -12.988 -4.840 -3.726 1.00 0.00 C ATOM 207 C GLN A 14 -12.491 -5.624 -4.938 1.00 0.00 C ATOM 208 O GLN A 14 -12.145 -5.037 -5.966 1.00 0.00 O ATOM 209 CB GLN A 14 -14.194 -3.986 -4.122 1.00 0.00 C ATOM 210 CG GLN A 14 -15.364 -4.796 -4.658 1.00 0.00 C ATOM 211 CD GLN A 14 -16.286 -3.976 -5.541 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.244 -3.370 -5.062 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.998 -3.951 -6.839 1.00 0.00 N ATOM 0 H GLN A 14 -11.574 -3.300 -3.834 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.290 -5.545 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.525 -3.415 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.885 -3.265 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.983 -5.645 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.934 -5.201 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.193 -4.469 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.582 -3.414 -7.481 1.00 0.00 H new ATOM 222 N PRO A 15 -12.444 -6.965 -4.827 1.00 0.00 N ATOM 223 CA PRO A 15 -11.999 -7.838 -5.921 1.00 0.00 C ATOM 224 C PRO A 15 -12.853 -7.674 -7.173 1.00 0.00 C ATOM 225 O PRO A 15 -14.048 -7.378 -7.088 1.00 0.00 O ATOM 226 CB PRO A 15 -12.161 -9.250 -5.348 1.00 0.00 C ATOM 227 CG PRO A 15 -12.183 -9.072 -3.871 1.00 0.00 C ATOM 228 CD PRO A 15 -12.819 -7.736 -3.629 1.00 0.00 C ATOM 0 HA PRO A 15 -10.981 -7.607 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.081 -9.715 -5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.338 -9.896 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.751 -9.868 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.175 -9.105 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.901 -7.818 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.445 -7.271 -2.717 1.00 0.00 H new ATOM 236 N LYS A 16 -12.234 -7.871 -8.336 1.00 0.00 N ATOM 237 CA LYS A 16 -12.937 -7.756 -9.612 1.00 0.00 C ATOM 238 C LYS A 16 -13.878 -8.942 -9.814 1.00 0.00 C ATOM 239 O LYS A 16 -14.978 -8.784 -10.349 1.00 0.00 O ATOM 240 CB LYS A 16 -11.935 -7.675 -10.768 1.00 0.00 C ATOM 241 CG LYS A 16 -11.037 -6.448 -10.716 1.00 0.00 C ATOM 242 CD LYS A 16 -11.799 -5.177 -11.054 1.00 0.00 C ATOM 243 CE LYS A 16 -10.956 -3.942 -10.782 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.677 -2.685 -11.129 1.00 0.00 N ATOM 0 H LYS A 16 -11.246 -8.111 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.529 -6.841 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.313 -8.570 -10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.481 -7.674 -11.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.602 -6.357 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.210 -6.573 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.094 -5.195 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.715 -5.132 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.675 -3.920 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.032 -4.000 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.989 -1.955 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.327 -2.865 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.218 -2.356 -10.304 1.00 0.00 H new ATOM 258 N LYS A 17 -13.440 -10.128 -9.379 1.00 0.00 N ATOM 259 CA LYS A 17 -14.244 -11.342 -9.504 1.00 0.00 C ATOM 260 C LYS A 17 -14.602 -11.908 -8.130 1.00 0.00 C ATOM 261 O LYS A 17 -13.945 -11.604 -7.129 1.00 0.00 O ATOM 262 CB LYS A 17 -13.505 -12.400 -10.337 1.00 0.00 C ATOM 263 CG LYS A 17 -12.135 -12.783 -9.790 1.00 0.00 C ATOM 264 CD LYS A 17 -11.028 -11.905 -10.359 1.00 0.00 C ATOM 265 CE LYS A 17 -10.796 -12.170 -11.840 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.232 -13.528 -12.087 1.00 0.00 N ATOM 0 H LYS A 17 -12.532 -10.270 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.169 -11.077 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.123 -13.296 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.386 -12.027 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.142 -12.699 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.928 -13.827 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.286 -10.856 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.104 -12.084 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.738 -12.066 -12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.116 -11.418 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.886 -13.588 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.444 -13.701 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.972 -14.244 -11.937 1.00 0.00 H new ATOM 280 N ALA A 18 -15.648 -12.734 -8.092 1.00 0.00 N ATOM 281 CA ALA A 18 -16.110 -13.351 -6.847 1.00 0.00 C ATOM 282 C ALA A 18 -15.064 -14.300 -6.259 1.00 0.00 C ATOM 283 O ALA A 18 -14.988 -14.465 -5.040 1.00 0.00 O ATOM 284 CB ALA A 18 -17.419 -14.091 -7.082 1.00 0.00 C ATOM 0 H ALA A 18 -16.194 -12.993 -8.914 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.272 -12.552 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.753 -14.546 -6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.175 -13.390 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.268 -14.869 -7.831 1.00 0.00 H new ATOM 290 N SER A 19 -14.266 -14.927 -7.130 1.00 0.00 N ATOM 291 CA SER A 19 -13.226 -15.862 -6.693 1.00 0.00 C ATOM 292 C SER A 19 -12.258 -15.198 -5.711 1.00 0.00 C ATOM 293 O SER A 19 -11.877 -15.799 -4.705 1.00 0.00 O ATOM 294 CB SER A 19 -12.455 -16.402 -7.901 1.00 0.00 C ATOM 295 OG SER A 19 -11.541 -17.414 -7.512 1.00 0.00 O ATOM 0 H SER A 19 -14.321 -14.803 -8.141 1.00 0.00 H new ATOM 0 HA SER A 19 -13.716 -16.690 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.155 -16.802 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.916 -15.588 -8.386 1.00 0.00 H new ATOM 0 HG SER A 19 -11.062 -17.743 -8.301 1.00 0.00 H new ATOM 301 N LEU A 20 -11.864 -13.958 -6.009 1.00 0.00 N ATOM 302 CA LEU A 20 -10.941 -13.215 -5.155 1.00 0.00 C ATOM 303 C LEU A 20 -11.619 -12.773 -3.855 1.00 0.00 C ATOM 304 O LEU A 20 -12.848 -12.735 -3.762 1.00 0.00 O ATOM 305 CB LEU A 20 -10.397 -11.996 -5.901 1.00 0.00 C ATOM 306 CG LEU A 20 -9.457 -12.303 -7.069 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.093 -11.022 -7.805 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.201 -13.011 -6.577 1.00 0.00 C ATOM 0 H LEU A 20 -12.172 -13.448 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.115 -13.878 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.240 -11.417 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.868 -11.362 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.974 -12.967 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.424 -11.256 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.999 -10.554 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.595 -10.337 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.546 -13.220 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.679 -12.373 -5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.477 -13.947 -6.092 1.00 0.00 H new ATOM 320 N GLN A 21 -10.799 -12.430 -2.862 1.00 0.00 N ATOM 321 CA GLN A 21 -11.293 -11.994 -1.558 1.00 0.00 C ATOM 322 C GLN A 21 -10.830 -10.569 -1.249 1.00 0.00 C ATOM 323 O GLN A 21 -9.653 -10.245 -1.419 1.00 0.00 O ATOM 324 CB GLN A 21 -10.812 -12.948 -0.459 1.00 0.00 C ATOM 325 CG GLN A 21 -11.236 -14.397 -0.665 1.00 0.00 C ATOM 326 CD GLN A 21 -10.198 -15.226 -1.409 1.00 0.00 C ATOM 327 OE1 GLN A 21 -9.443 -14.709 -2.233 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.156 -16.523 -1.121 1.00 0.00 N ATOM 0 H GLN A 21 -9.782 -12.446 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.383 -12.006 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.724 -12.903 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.194 -12.602 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.429 -14.854 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.174 -14.419 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.799 -16.913 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.481 -17.128 -1.589 1.00 0.00 H new ATOM 337 N PRO A 22 -11.754 -9.700 -0.781 1.00 0.00 N ATOM 338 CA PRO A 22 -11.442 -8.298 -0.450 1.00 0.00 C ATOM 339 C PRO A 22 -10.247 -8.152 0.496 1.00 0.00 C ATOM 340 O PRO A 22 -9.946 -9.058 1.278 1.00 0.00 O ATOM 341 CB PRO A 22 -12.723 -7.802 0.226 1.00 0.00 C ATOM 342 CG PRO A 22 -13.799 -8.663 -0.334 1.00 0.00 C ATOM 343 CD PRO A 22 -13.176 -10.015 -0.543 1.00 0.00 C ATOM 0 HA PRO A 22 -11.157 -7.733 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.662 -7.898 1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.904 -6.749 0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.646 -8.724 0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.176 -8.257 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.306 -10.657 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.620 -10.536 -1.391 1.00 0.00 H new ATOM 351 N LEU A 23 -9.577 -7.000 0.419 1.00 0.00 N ATOM 352 CA LEU A 23 -8.409 -6.721 1.256 1.00 0.00 C ATOM 353 C LEU A 23 -8.634 -5.477 2.111 1.00 0.00 C ATOM 354 O LEU A 23 -9.144 -4.470 1.626 1.00 0.00 O ATOM 355 CB LEU A 23 -7.170 -6.534 0.374 1.00 0.00 C ATOM 356 CG LEU A 23 -5.835 -6.420 1.119 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.693 -6.912 0.241 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.581 -4.985 1.556 1.00 0.00 C ATOM 0 H LEU A 23 -9.825 -6.243 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.254 -7.569 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.109 -7.374 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.307 -5.636 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.888 -7.046 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.752 -6.824 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.862 -7.955 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.645 -6.309 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.628 -4.928 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.550 -4.338 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.382 -4.659 2.219 1.00 0.00 H new ATOM 370 N THR A 24 -8.248 -5.550 3.386 1.00 0.00 N ATOM 371 CA THR A 24 -8.412 -4.416 4.294 1.00 0.00 C ATOM 372 C THR A 24 -7.255 -4.323 5.291 1.00 0.00 C ATOM 373 O THR A 24 -7.333 -4.860 6.398 1.00 0.00 O ATOM 374 CB THR A 24 -9.749 -4.494 5.064 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.835 -4.681 4.147 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.986 -3.225 5.873 1.00 0.00 C ATOM 0 H THR A 24 -7.823 -6.375 3.809 1.00 0.00 H new ATOM 0 HA THR A 24 -8.415 -3.519 3.674 1.00 0.00 H new ATOM 0 HB THR A 24 -9.695 -5.342 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.678 -4.731 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.934 -3.305 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.176 -3.094 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.018 -2.367 5.202 1.00 0.00 H new ATOM 384 N ILE A 25 -6.176 -3.651 4.887 1.00 0.00 N ATOM 385 CA ILE A 25 -5.003 -3.500 5.748 1.00 0.00 C ATOM 386 C ILE A 25 -4.451 -2.072 5.688 1.00 0.00 C ATOM 387 O ILE A 25 -4.704 -1.338 4.730 1.00 0.00 O ATOM 388 CB ILE A 25 -3.896 -4.511 5.364 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.888 -4.680 6.508 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.190 -4.081 4.086 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.483 -5.307 7.752 1.00 0.00 C ATOM 0 H ILE A 25 -6.090 -3.205 3.974 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.322 -3.705 6.770 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.370 -5.476 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.058 -5.296 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.475 -3.704 6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.416 -4.807 3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.913 -4.026 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.735 -3.102 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.713 -5.396 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.294 -4.680 8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.870 -6.297 7.511 1.00 0.00 H new ATOM 403 N SER A 26 -3.697 -1.688 6.719 1.00 0.00 N ATOM 404 CA SER A 26 -3.119 -0.348 6.798 1.00 0.00 C ATOM 405 C SER A 26 -1.593 -0.370 6.644 1.00 0.00 C ATOM 406 O SER A 26 -0.971 -1.434 6.604 1.00 0.00 O ATOM 407 CB SER A 26 -3.497 0.295 8.134 1.00 0.00 C ATOM 408 OG SER A 26 -3.004 1.617 8.228 1.00 0.00 O ATOM 0 H SER A 26 -3.473 -2.289 7.512 1.00 0.00 H new ATOM 0 HA SER A 26 -3.523 0.239 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.582 0.301 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.098 -0.303 8.953 1.00 0.00 H new ATOM 0 HG SER A 26 -2.263 1.645 8.869 1.00 0.00 H new ATOM 414 N LEU A 27 -1.008 0.829 6.558 1.00 0.00 N ATOM 415 CA LEU A 27 0.441 1.009 6.417 1.00 0.00 C ATOM 416 C LEU A 27 1.216 0.291 7.521 1.00 0.00 C ATOM 417 O LEU A 27 1.988 -0.631 7.250 1.00 0.00 O ATOM 418 CB LEU A 27 0.783 2.504 6.458 1.00 0.00 C ATOM 419 CG LEU A 27 0.067 3.372 5.418 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.566 4.807 5.487 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.258 2.803 4.019 1.00 0.00 C ATOM 0 H LEU A 27 -1.528 1.706 6.584 1.00 0.00 H new ATOM 0 HA LEU A 27 0.733 0.577 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.545 2.886 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.859 2.617 6.322 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.999 3.368 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.047 5.409 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.372 5.212 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.638 4.829 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.258 3.434 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.321 2.773 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.152 1.794 3.978 1.00 0.00 H new ATOM 433 N ASP A 28 0.995 0.710 8.766 1.00 0.00 N ATOM 434 CA ASP A 28 1.687 0.130 9.915 1.00 0.00 C ATOM 435 C ASP A 28 1.345 -1.350 10.080 1.00 0.00 C ATOM 436 O ASP A 28 2.188 -2.148 10.496 1.00 0.00 O ATOM 437 CB ASP A 28 1.319 0.894 11.192 1.00 0.00 C ATOM 438 CG ASP A 28 2.151 0.468 12.387 1.00 0.00 C ATOM 439 OD1 ASP A 28 1.796 -0.543 13.029 1.00 0.00 O ATOM 440 OD2 ASP A 28 3.157 1.146 12.682 1.00 0.00 O ATOM 0 H ASP A 28 0.338 1.453 9.005 1.00 0.00 H new ATOM 0 HA ASP A 28 2.759 0.214 9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.453 1.962 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.264 0.736 11.414 1.00 0.00 H new ATOM 445 N GLU A 29 0.106 -1.708 9.746 1.00 0.00 N ATOM 446 CA GLU A 29 -0.360 -3.087 9.864 1.00 0.00 C ATOM 447 C GLU A 29 0.143 -3.979 8.721 1.00 0.00 C ATOM 448 O GLU A 29 -0.098 -5.187 8.737 1.00 0.00 O ATOM 449 CB GLU A 29 -1.891 -3.117 9.905 1.00 0.00 C ATOM 450 CG GLU A 29 -2.486 -2.693 11.243 1.00 0.00 C ATOM 451 CD GLU A 29 -2.064 -1.296 11.668 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.683 -0.318 11.200 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.115 -1.183 12.473 1.00 0.00 O ATOM 0 H GLU A 29 -0.595 -1.058 9.390 1.00 0.00 H new ATOM 0 HA GLU A 29 0.050 -3.486 10.792 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.278 -2.462 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.230 -4.126 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.573 -2.734 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.184 -3.406 12.010 1.00 0.00 H new ATOM 460 N LEU A 30 0.838 -3.399 7.733 1.00 0.00 N ATOM 461 CA LEU A 30 1.341 -4.189 6.608 1.00 0.00 C ATOM 462 C LEU A 30 2.833 -3.952 6.323 1.00 0.00 C ATOM 463 O LEU A 30 3.347 -4.413 5.304 1.00 0.00 O ATOM 464 CB LEU A 30 0.515 -3.903 5.349 1.00 0.00 C ATOM 465 CG LEU A 30 0.723 -4.884 4.191 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.185 -6.260 4.551 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.061 -4.363 2.924 1.00 0.00 C ATOM 0 H LEU A 30 1.060 -2.404 7.691 1.00 0.00 H new ATOM 0 HA LEU A 30 1.236 -5.236 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.541 -3.905 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.753 -2.898 4.999 1.00 0.00 H new ATOM 0 HG LEU A 30 1.793 -4.974 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.342 -6.942 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.708 -6.636 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.881 -6.189 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.219 -5.073 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.008 -4.241 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.497 -3.401 2.655 1.00 0.00 H new ATOM 479 N PHE A 31 3.536 -3.256 7.227 1.00 0.00 N ATOM 480 CA PHE A 31 4.966 -3.009 7.022 1.00 0.00 C ATOM 481 C PHE A 31 5.763 -3.312 8.291 1.00 0.00 C ATOM 482 O PHE A 31 5.328 -2.985 9.398 1.00 0.00 O ATOM 483 CB PHE A 31 5.233 -1.570 6.551 1.00 0.00 C ATOM 484 CG PHE A 31 4.510 -1.184 5.286 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.526 -2.012 4.174 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.816 0.013 5.210 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.864 -1.655 3.016 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.153 0.375 4.054 1.00 0.00 C ATOM 489 CZ PHE A 31 3.176 -0.460 2.956 1.00 0.00 C ATOM 0 H PHE A 31 3.149 -2.864 8.085 1.00 0.00 H new ATOM 0 HA PHE A 31 5.299 -3.685 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.944 -0.881 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.305 -1.445 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.063 -2.948 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.793 0.671 6.066 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.885 -2.310 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.617 1.311 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.657 -0.179 2.052 1.00 0.00 H new ATOM 499 N SER A 32 6.930 -3.936 8.122 1.00 0.00 N ATOM 500 CA SER A 32 7.783 -4.294 9.257 1.00 0.00 C ATOM 501 C SER A 32 9.241 -3.890 9.009 1.00 0.00 C ATOM 502 O SER A 32 10.166 -4.561 9.476 1.00 0.00 O ATOM 503 CB SER A 32 7.711 -5.807 9.484 1.00 0.00 C ATOM 504 OG SER A 32 6.381 -6.223 9.742 1.00 0.00 O ATOM 0 H SER A 32 7.306 -4.204 7.212 1.00 0.00 H new ATOM 0 HA SER A 32 7.425 -3.759 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.094 -6.328 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.350 -6.083 10.323 1.00 0.00 H new ATOM 0 HG SER A 32 6.363 -7.193 9.882 1.00 0.00 H new ATOM 510 N SER A 33 9.446 -2.784 8.288 1.00 0.00 N ATOM 511 CA SER A 33 10.793 -2.303 7.985 1.00 0.00 C ATOM 512 C SER A 33 10.775 -0.859 7.484 1.00 0.00 C ATOM 513 O SER A 33 9.965 -0.497 6.627 1.00 0.00 O ATOM 514 CB SER A 33 11.469 -3.213 6.952 1.00 0.00 C ATOM 515 OG SER A 33 12.738 -2.707 6.572 1.00 0.00 O ATOM 0 H SER A 33 8.697 -2.207 7.905 1.00 0.00 H new ATOM 0 HA SER A 33 11.367 -2.329 8.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.584 -4.215 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.833 -3.303 6.072 1.00 0.00 H new ATOM 0 HG SER A 33 13.146 -3.308 5.914 1.00 0.00 H new ATOM 521 N ARG A 34 11.679 -0.042 8.030 1.00 0.00 N ATOM 522 CA ARG A 34 11.790 1.366 7.649 1.00 0.00 C ATOM 523 C ARG A 34 12.140 1.499 6.167 1.00 0.00 C ATOM 524 O ARG A 34 11.455 2.201 5.421 1.00 0.00 O ATOM 525 CB ARG A 34 12.856 2.056 8.510 1.00 0.00 C ATOM 526 CG ARG A 34 12.764 3.576 8.522 1.00 0.00 C ATOM 527 CD ARG A 34 13.315 4.187 7.243 1.00 0.00 C ATOM 528 NE ARG A 34 13.348 5.647 7.299 1.00 0.00 N ATOM 529 CZ ARG A 34 13.789 6.423 6.305 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.240 5.881 5.177 1.00 0.00 N ATOM 531 NH2 ARG A 34 13.777 7.744 6.441 1.00 0.00 N ATOM 0 H ARG A 34 12.348 -0.335 8.742 1.00 0.00 H new ATOM 0 HA ARG A 34 10.828 1.849 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.772 1.690 9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.842 1.766 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.724 3.876 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.315 3.966 9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.322 3.809 7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.703 3.871 6.398 1.00 0.00 H new ATOM 0 HE ARG A 34 13.014 6.101 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.251 4.867 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.575 6.479 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.431 8.165 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.113 8.338 5.683 1.00 0.00 H new ATOM 545 N GLY A 35 13.210 0.816 5.749 1.00 0.00 N ATOM 546 CA GLY A 35 13.632 0.858 4.357 1.00 0.00 C ATOM 547 C GLY A 35 12.580 0.298 3.417 1.00 0.00 C ATOM 548 O GLY A 35 12.433 0.777 2.292 1.00 0.00 O ATOM 0 H GLY A 35 13.791 0.234 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.853 1.888 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.556 0.291 4.243 1.00 0.00 H new ATOM 552 N GLU A 36 11.853 -0.727 3.874 1.00 0.00 N ATOM 553 CA GLU A 36 10.796 -1.335 3.070 1.00 0.00 C ATOM 554 C GLU A 36 9.740 -0.288 2.718 1.00 0.00 C ATOM 555 O GLU A 36 9.240 -0.254 1.592 1.00 0.00 O ATOM 556 CB GLU A 36 10.157 -2.509 3.818 1.00 0.00 C ATOM 557 CG GLU A 36 9.078 -3.232 3.026 1.00 0.00 C ATOM 558 CD GLU A 36 9.578 -3.770 1.698 1.00 0.00 C ATOM 559 OE1 GLU A 36 10.165 -4.873 1.686 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.377 -3.091 0.668 1.00 0.00 O ATOM 0 H GLU A 36 11.979 -1.150 4.794 1.00 0.00 H new ATOM 0 HA GLU A 36 11.234 -1.717 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.936 -3.223 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.726 -2.142 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.688 -4.057 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.248 -2.549 2.846 1.00 0.00 H new ATOM 567 N PHE A 37 9.408 0.564 3.695 1.00 0.00 N ATOM 568 CA PHE A 37 8.435 1.636 3.492 1.00 0.00 C ATOM 569 C PHE A 37 8.877 2.531 2.332 1.00 0.00 C ATOM 570 O PHE A 37 8.059 2.957 1.517 1.00 0.00 O ATOM 571 CB PHE A 37 8.287 2.462 4.776 1.00 0.00 C ATOM 572 CG PHE A 37 7.113 3.401 4.770 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.247 4.695 4.295 1.00 0.00 C ATOM 574 CD2 PHE A 37 5.878 2.991 5.247 1.00 0.00 C ATOM 575 CE1 PHE A 37 6.172 5.563 4.297 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.799 3.854 5.249 1.00 0.00 C ATOM 577 CZ PHE A 37 4.947 5.142 4.774 1.00 0.00 C ATOM 0 H PHE A 37 9.802 0.529 4.635 1.00 0.00 H new ATOM 0 HA PHE A 37 7.468 1.196 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.191 1.783 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.199 3.039 4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.203 5.029 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.758 1.985 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.290 6.570 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.841 3.522 5.622 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.106 5.819 4.776 1.00 0.00 H new ATOM 587 N ILE A 38 10.176 2.833 2.285 1.00 0.00 N ATOM 588 CA ILE A 38 10.743 3.647 1.213 1.00 0.00 C ATOM 589 C ILE A 38 10.462 3.030 -0.159 1.00 0.00 C ATOM 590 O ILE A 38 9.932 3.704 -1.044 1.00 0.00 O ATOM 591 CB ILE A 38 12.270 3.822 1.393 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.573 4.527 2.720 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.865 4.605 0.229 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.871 5.862 2.880 1.00 0.00 C ATOM 0 H ILE A 38 10.855 2.524 2.980 1.00 0.00 H new ATOM 0 HA ILE A 38 10.264 4.625 1.266 1.00 0.00 H new ATOM 0 HB ILE A 38 12.728 2.833 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.282 3.873 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.649 4.681 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.939 4.716 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.680 4.069 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.402 5.590 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.135 6.299 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.181 6.534 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.792 5.714 2.832 1.00 0.00 H new ATOM 606 N SER A 39 10.815 1.745 -0.333 1.00 0.00 N ATOM 607 CA SER A 39 10.600 1.063 -1.613 1.00 0.00 C ATOM 608 C SER A 39 9.128 1.133 -2.009 1.00 0.00 C ATOM 609 O SER A 39 8.787 1.767 -3.008 1.00 0.00 O ATOM 610 CB SER A 39 11.067 -0.395 -1.545 1.00 0.00 C ATOM 611 OG SER A 39 12.432 -0.480 -1.173 1.00 0.00 O ATOM 0 H SER A 39 11.245 1.167 0.389 1.00 0.00 H new ATOM 0 HA SER A 39 11.193 1.572 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.457 -0.942 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.921 -0.872 -2.514 1.00 0.00 H new ATOM 0 HG SER A 39 12.703 -1.421 -1.136 1.00 0.00 H new ATOM 617 N VAL A 40 8.268 0.457 -1.234 1.00 0.00 N ATOM 618 CA VAL A 40 6.825 0.400 -1.506 1.00 0.00 C ATOM 619 C VAL A 40 6.251 1.683 -2.114 1.00 0.00 C ATOM 620 O VAL A 40 5.350 1.610 -2.951 1.00 0.00 O ATOM 621 CB VAL A 40 6.007 0.022 -0.250 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.309 -1.406 0.179 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.271 0.989 0.890 1.00 0.00 C ATOM 0 H VAL A 40 8.552 -0.064 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 40 6.728 -0.387 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 40 4.950 0.089 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.723 -1.652 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.051 -2.091 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.370 -1.500 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.681 0.697 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.330 0.969 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.991 1.997 0.584 1.00 0.00 H new ATOM 633 N GLY A 41 6.744 2.855 -1.703 1.00 0.00 N ATOM 634 CA GLY A 41 6.238 4.102 -2.255 1.00 0.00 C ATOM 635 C GLY A 41 5.838 5.090 -1.173 1.00 0.00 C ATOM 636 O GLY A 41 4.804 5.750 -1.286 1.00 0.00 O ATOM 0 H GLY A 41 7.479 2.960 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.001 4.552 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.377 3.893 -2.890 1.00 0.00 H new ATOM 640 N GLY A 42 6.665 5.202 -0.125 1.00 0.00 N ATOM 641 CA GLY A 42 6.364 6.105 0.971 1.00 0.00 C ATOM 642 C GLY A 42 7.432 7.160 1.190 1.00 0.00 C ATOM 643 O GLY A 42 8.440 6.905 1.852 1.00 0.00 O ATOM 0 H GLY A 42 7.536 4.681 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.411 6.597 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.242 5.526 1.886 1.00 0.00 H new ATOM 647 N ASP A 43 7.204 8.347 0.634 1.00 0.00 N ATOM 648 CA ASP A 43 8.111 9.475 0.827 1.00 0.00 C ATOM 649 C ASP A 43 7.674 10.227 2.087 1.00 0.00 C ATOM 650 O ASP A 43 8.294 10.086 3.142 1.00 0.00 O ATOM 651 CB ASP A 43 8.092 10.402 -0.395 1.00 0.00 C ATOM 652 CG ASP A 43 8.712 9.760 -1.621 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.985 9.055 -2.354 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.923 9.962 -1.850 1.00 0.00 O ATOM 0 H ASP A 43 6.397 8.553 0.045 1.00 0.00 H new ATOM 0 HA ASP A 43 9.133 9.116 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.063 10.683 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.630 11.320 -0.159 1.00 0.00 H new ATOM 659 N GLY A 44 6.607 11.021 1.973 1.00 0.00 N ATOM 660 CA GLY A 44 6.114 11.775 3.115 1.00 0.00 C ATOM 661 C GLY A 44 4.671 12.205 2.946 1.00 0.00 C ATOM 662 O GLY A 44 3.785 11.703 3.635 1.00 0.00 O ATOM 0 H GLY A 44 6.078 11.154 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.206 11.167 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.738 12.657 3.261 1.00 0.00 H new ATOM 666 N ARG A 45 4.437 13.137 2.025 1.00 0.00 N ATOM 667 CA ARG A 45 3.092 13.636 1.764 1.00 0.00 C ATOM 668 C ARG A 45 2.356 12.715 0.795 1.00 0.00 C ATOM 669 O ARG A 45 2.553 12.791 -0.421 1.00 0.00 O ATOM 670 CB ARG A 45 3.149 15.063 1.208 1.00 0.00 C ATOM 671 CG ARG A 45 3.479 16.117 2.257 1.00 0.00 C ATOM 672 CD ARG A 45 4.876 15.935 2.838 1.00 0.00 C ATOM 673 NE ARG A 45 5.920 15.979 1.812 1.00 0.00 N ATOM 674 CZ ARG A 45 7.162 15.517 1.989 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.523 14.974 3.149 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.046 15.595 1.000 1.00 0.00 N ATOM 0 H ARG A 45 5.163 13.561 1.447 1.00 0.00 H new ATOM 0 HA ARG A 45 2.543 13.653 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.897 15.105 0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.189 15.305 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.400 17.108 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.744 16.069 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.063 16.715 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.926 14.981 3.362 1.00 0.00 H new ATOM 0 HE ARG A 45 5.685 16.387 0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.850 14.908 3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.473 14.624 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.777 16.007 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.994 15.243 1.134 1.00 0.00 H new ATOM 690 N MET A 46 1.513 11.840 1.345 1.00 0.00 N ATOM 691 CA MET A 46 0.747 10.895 0.537 1.00 0.00 C ATOM 692 C MET A 46 -0.641 11.451 0.221 1.00 0.00 C ATOM 693 O MET A 46 -1.083 12.427 0.831 1.00 0.00 O ATOM 694 CB MET A 46 0.621 9.555 1.268 1.00 0.00 C ATOM 695 CG MET A 46 0.299 8.385 0.352 1.00 0.00 C ATOM 696 SD MET A 46 1.552 8.133 -0.921 1.00 0.00 S ATOM 697 CE MET A 46 3.038 8.011 0.073 1.00 0.00 C ATOM 0 H MET A 46 1.344 11.767 2.348 1.00 0.00 H new ATOM 0 HA MET A 46 1.278 10.740 -0.402 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.554 9.348 1.792 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.158 9.637 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.205 7.477 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.667 8.556 -0.123 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.913 8.032 -0.577 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.081 8.850 0.768 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.025 7.076 0.634 1.00 0.00 H new ATOM 707 N SER A 47 -1.326 10.823 -0.735 1.00 0.00 N ATOM 708 CA SER A 47 -2.658 11.261 -1.132 1.00 0.00 C ATOM 709 C SER A 47 -3.753 10.579 -0.313 1.00 0.00 C ATOM 710 O SER A 47 -4.404 11.211 0.521 1.00 0.00 O ATOM 711 CB SER A 47 -2.884 10.984 -2.624 1.00 0.00 C ATOM 712 OG SER A 47 -4.082 11.587 -3.081 1.00 0.00 O ATOM 0 H SER A 47 -0.979 10.011 -1.246 1.00 0.00 H new ATOM 0 HA SER A 47 -2.716 12.333 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.040 11.364 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.927 9.908 -2.794 1.00 0.00 H new ATOM 0 HG SER A 47 -4.201 11.396 -4.035 1.00 0.00 H new ATOM 718 N HIS A 48 -3.934 9.281 -0.558 1.00 0.00 N ATOM 719 CA HIS A 48 -4.978 8.484 0.081 1.00 0.00 C ATOM 720 C HIS A 48 -4.990 7.084 -0.525 1.00 0.00 C ATOM 721 O HIS A 48 -4.796 6.097 0.185 1.00 0.00 O ATOM 722 CB HIS A 48 -6.345 9.150 -0.129 1.00 0.00 C ATOM 723 CG HIS A 48 -7.503 8.322 0.338 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.973 8.347 1.634 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.287 7.441 -0.328 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.996 7.516 1.745 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.205 6.955 0.568 1.00 0.00 N ATOM 0 H HIS A 48 -3.356 8.751 -1.210 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.776 8.416 1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.358 10.104 0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.472 9.369 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.205 7.171 -1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.563 7.328 2.645 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.932 6.271 0.359 1.00 0.00 H new ATOM 736 N LYS A 49 -5.216 6.997 -1.834 1.00 0.00 N ATOM 737 CA LYS A 49 -5.204 5.712 -2.527 1.00 0.00 C ATOM 738 C LYS A 49 -3.770 5.195 -2.655 1.00 0.00 C ATOM 739 O LYS A 49 -3.538 3.985 -2.704 1.00 0.00 O ATOM 740 CB LYS A 49 -5.824 5.866 -3.917 1.00 0.00 C ATOM 741 CG LYS A 49 -7.330 6.093 -3.899 1.00 0.00 C ATOM 742 CD LYS A 49 -8.066 4.968 -3.180 1.00 0.00 C ATOM 743 CE LYS A 49 -7.888 3.631 -3.887 1.00 0.00 C ATOM 744 NZ LYS A 49 -8.532 3.617 -5.232 1.00 0.00 N ATOM 0 H LYS A 49 -5.409 7.799 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.788 4.995 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.346 6.703 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.608 4.972 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.548 7.041 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.698 6.172 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.699 4.889 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.127 5.209 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.825 3.416 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.314 2.837 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.301 2.917 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.919 4.559 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.826 3.365 -5.952 1.00 0.00 H new ATOM 758 N GLU A 50 -2.816 6.126 -2.703 1.00 0.00 N ATOM 759 CA GLU A 50 -1.401 5.799 -2.836 1.00 0.00 C ATOM 760 C GLU A 50 -0.873 5.029 -1.626 1.00 0.00 C ATOM 761 O GLU A 50 -0.306 3.947 -1.779 1.00 0.00 O ATOM 762 CB GLU A 50 -0.593 7.088 -3.016 1.00 0.00 C ATOM 763 CG GLU A 50 -0.958 7.872 -4.266 1.00 0.00 C ATOM 764 CD GLU A 50 -0.738 7.081 -5.543 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.395 7.103 -6.066 1.00 0.00 O ATOM 766 OE2 GLU A 50 -1.701 6.442 -6.019 1.00 0.00 O ATOM 0 H GLU A 50 -3.005 7.127 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.290 5.157 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.742 7.724 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.468 6.839 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.004 8.174 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.364 8.785 -4.303 1.00 0.00 H new ATOM 773 N ALA A 51 -1.068 5.592 -0.427 1.00 0.00 N ATOM 774 CA ALA A 51 -0.589 4.969 0.813 1.00 0.00 C ATOM 775 C ALA A 51 -0.921 3.480 0.867 1.00 0.00 C ATOM 776 O ALA A 51 -0.011 2.659 0.993 1.00 0.00 O ATOM 777 CB ALA A 51 -1.152 5.689 2.032 1.00 0.00 C ATOM 0 H ALA A 51 -1.554 6.478 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 51 0.497 5.062 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.784 5.210 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.835 6.732 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.241 5.641 2.012 1.00 0.00 H new ATOM 783 N ILE A 52 -2.200 3.119 0.776 1.00 0.00 N ATOM 784 CA ILE A 52 -2.574 1.707 0.855 1.00 0.00 C ATOM 785 C ILE A 52 -1.853 0.898 -0.224 1.00 0.00 C ATOM 786 O ILE A 52 -1.320 -0.177 0.057 1.00 0.00 O ATOM 787 CB ILE A 52 -4.100 1.495 0.765 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.812 2.265 1.882 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.442 0.013 0.836 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.345 1.897 3.276 1.00 0.00 C ATOM 0 H ILE A 52 -2.978 3.766 0.651 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.260 1.349 1.835 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.445 1.879 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.659 3.333 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.884 2.083 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.523 -0.115 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.964 -0.511 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.084 -0.398 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.896 2.484 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.524 0.836 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.279 2.106 3.370 1.00 0.00 H new ATOM 802 N LEU A 53 -1.846 1.414 -1.457 1.00 0.00 N ATOM 803 CA LEU A 53 -1.258 0.693 -2.591 1.00 0.00 C ATOM 804 C LEU A 53 0.171 0.203 -2.319 1.00 0.00 C ATOM 805 O LEU A 53 0.591 -0.813 -2.878 1.00 0.00 O ATOM 806 CB LEU A 53 -1.321 1.545 -3.861 1.00 0.00 C ATOM 807 CG LEU A 53 -0.906 0.845 -5.157 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.901 -0.246 -5.523 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.784 1.859 -6.285 1.00 0.00 C ATOM 0 H LEU A 53 -2.239 2.325 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.860 -0.204 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.341 1.911 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.683 2.418 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 53 0.066 0.377 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.586 -0.730 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.942 -0.984 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.889 0.194 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.488 1.349 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.744 2.351 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.032 2.604 -6.025 1.00 0.00 H new ATOM 821 N LEU A 54 0.913 0.923 -1.471 1.00 0.00 N ATOM 822 CA LEU A 54 2.283 0.539 -1.112 1.00 0.00 C ATOM 823 C LEU A 54 2.380 -0.943 -0.723 1.00 0.00 C ATOM 824 O LEU A 54 3.377 -1.605 -1.018 1.00 0.00 O ATOM 825 CB LEU A 54 2.774 1.395 0.062 1.00 0.00 C ATOM 826 CG LEU A 54 3.438 2.726 -0.305 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.486 3.613 -1.090 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.912 3.438 0.954 1.00 0.00 C ATOM 0 H LEU A 54 0.587 1.777 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 54 2.907 0.704 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.925 1.603 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.484 0.806 0.643 1.00 0.00 H new ATOM 0 HG LEU A 54 4.300 2.516 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.983 4.551 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.190 3.106 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.601 3.819 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.383 4.383 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.060 3.631 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.634 2.811 1.477 1.00 0.00 H new ATOM 840 N GLY A 55 1.335 -1.449 -0.052 1.00 0.00 N ATOM 841 CA GLY A 55 1.307 -2.836 0.398 1.00 0.00 C ATOM 842 C GLY A 55 1.708 -3.841 -0.667 1.00 0.00 C ATOM 843 O GLY A 55 2.501 -4.741 -0.399 1.00 0.00 O ATOM 0 H GLY A 55 0.501 -0.913 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.974 -2.943 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.302 -3.074 0.747 1.00 0.00 H new ATOM 847 N LEU A 56 1.142 -3.703 -1.867 1.00 0.00 N ATOM 848 CA LEU A 56 1.436 -4.617 -2.976 1.00 0.00 C ATOM 849 C LEU A 56 2.939 -4.853 -3.131 1.00 0.00 C ATOM 850 O LEU A 56 3.383 -6.000 -3.185 1.00 0.00 O ATOM 851 CB LEU A 56 0.858 -4.079 -4.288 1.00 0.00 C ATOM 852 CG LEU A 56 -0.628 -3.700 -4.252 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.151 -3.458 -5.660 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.446 -4.779 -3.552 1.00 0.00 C ATOM 0 H LEU A 56 0.476 -2.966 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 56 0.965 -5.571 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.431 -3.200 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.004 -4.831 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.731 -2.776 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.207 -3.190 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.590 -2.646 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.032 -4.365 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.496 -4.488 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.338 -5.722 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.090 -4.899 -2.529 1.00 0.00 H new ATOM 866 N ARG A 57 3.717 -3.771 -3.206 1.00 0.00 N ATOM 867 CA ARG A 57 5.170 -3.882 -3.358 1.00 0.00 C ATOM 868 C ARG A 57 5.810 -4.570 -2.148 1.00 0.00 C ATOM 869 O ARG A 57 6.825 -5.255 -2.286 1.00 0.00 O ATOM 870 CB ARG A 57 5.792 -2.503 -3.590 1.00 0.00 C ATOM 871 CG ARG A 57 5.450 -1.913 -4.952 1.00 0.00 C ATOM 872 CD ARG A 57 6.088 -0.549 -5.155 1.00 0.00 C ATOM 873 NE ARG A 57 7.545 -0.628 -5.274 1.00 0.00 N ATOM 874 CZ ARG A 57 8.320 0.394 -5.649 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.785 1.580 -5.934 1.00 0.00 N ATOM 876 NH2 ARG A 57 9.636 0.231 -5.735 1.00 0.00 N ATOM 0 H ARG A 57 3.368 -2.813 -3.164 1.00 0.00 H new ATOM 0 HA ARG A 57 5.367 -4.503 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.451 -1.822 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.875 -2.579 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.786 -2.591 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.368 -1.826 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.677 -0.088 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.829 0.099 -4.318 1.00 0.00 H new ATOM 0 HE ARG A 57 7.996 -1.517 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.776 1.714 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.384 2.354 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.053 -0.673 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.229 1.010 -6.021 1.00 0.00 H new ATOM 890 N TYR A 58 5.215 -4.383 -0.965 1.00 0.00 N ATOM 891 CA TYR A 58 5.708 -5.020 0.256 1.00 0.00 C ATOM 892 C TYR A 58 5.509 -6.533 0.170 1.00 0.00 C ATOM 893 O TYR A 58 6.432 -7.311 0.415 1.00 0.00 O ATOM 894 CB TYR A 58 4.970 -4.466 1.481 1.00 0.00 C ATOM 895 CG TYR A 58 5.235 -5.231 2.762 1.00 0.00 C ATOM 896 CD1 TYR A 58 4.433 -6.304 3.126 1.00 0.00 C ATOM 897 CD2 TYR A 58 6.282 -4.882 3.602 1.00 0.00 C ATOM 898 CE1 TYR A 58 4.667 -7.008 4.290 1.00 0.00 C ATOM 899 CE2 TYR A 58 6.524 -5.581 4.769 1.00 0.00 C ATOM 900 CZ TYR A 58 5.713 -6.643 5.109 1.00 0.00 C ATOM 901 OH TYR A 58 5.948 -7.341 6.270 1.00 0.00 O ATOM 0 H TYR A 58 4.392 -3.796 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 58 6.771 -4.803 0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.259 -3.425 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.899 -4.474 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.612 -6.593 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.919 -4.050 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.033 -7.841 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.344 -5.297 5.412 1.00 0.00 H new ATOM 0 HH TYR A 58 6.722 -6.957 6.732 1.00 0.00 H new ATOM 911 N LYS A 59 4.286 -6.930 -0.189 1.00 0.00 N ATOM 912 CA LYS A 59 3.921 -8.337 -0.333 1.00 0.00 C ATOM 913 C LYS A 59 4.535 -8.958 -1.596 1.00 0.00 C ATOM 914 O LYS A 59 4.505 -10.179 -1.763 1.00 0.00 O ATOM 915 CB LYS A 59 2.395 -8.473 -0.386 1.00 0.00 C ATOM 916 CG LYS A 59 1.675 -7.865 0.811 1.00 0.00 C ATOM 917 CD LYS A 59 2.135 -8.481 2.124 1.00 0.00 C ATOM 918 CE LYS A 59 1.609 -9.897 2.300 1.00 0.00 C ATOM 919 NZ LYS A 59 2.078 -10.511 3.572 1.00 0.00 N ATOM 0 H LYS A 59 3.522 -6.283 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 59 4.315 -8.872 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.030 -7.997 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.137 -9.530 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.852 -6.790 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.600 -8.009 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.224 -8.491 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.796 -7.862 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.519 -9.884 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.933 -10.511 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.697 -11.475 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.117 -10.548 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.748 -9.940 4.376 1.00 0.00 H new ATOM 933 N LYS A 60 5.078 -8.112 -2.483 1.00 0.00 N ATOM 934 CA LYS A 60 5.693 -8.571 -3.729 1.00 0.00 C ATOM 935 C LYS A 60 4.633 -9.118 -4.686 1.00 0.00 C ATOM 936 O LYS A 60 4.622 -10.306 -5.017 1.00 0.00 O ATOM 937 CB LYS A 60 6.776 -9.623 -3.451 1.00 0.00 C ATOM 938 CG LYS A 60 7.808 -9.178 -2.423 1.00 0.00 C ATOM 939 CD LYS A 60 8.548 -7.929 -2.876 1.00 0.00 C ATOM 940 CE LYS A 60 9.395 -7.343 -1.756 1.00 0.00 C ATOM 941 NZ LYS A 60 10.068 -6.080 -2.169 1.00 0.00 N ATOM 0 H LYS A 60 5.102 -7.100 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 60 6.171 -7.716 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.300 -10.539 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.285 -9.864 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.314 -8.983 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.523 -9.983 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.185 -8.171 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.830 -7.184 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.765 -7.151 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.146 -8.071 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.635 -5.714 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.689 -6.267 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.351 -5.376 -2.436 1.00 0.00 H new ATOM 955 N LEU A 61 3.736 -8.228 -5.116 1.00 0.00 N ATOM 956 CA LEU A 61 2.660 -8.597 -6.041 1.00 0.00 C ATOM 957 C LEU A 61 1.958 -7.365 -6.626 1.00 0.00 C ATOM 958 O LEU A 61 0.771 -7.419 -6.948 1.00 0.00 O ATOM 959 CB LEU A 61 1.644 -9.508 -5.338 1.00 0.00 C ATOM 960 CG LEU A 61 1.307 -9.129 -3.889 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.701 -7.737 -3.814 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.361 -10.152 -3.278 1.00 0.00 C ATOM 0 H LEU A 61 3.733 -7.246 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 61 3.113 -9.139 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.721 -9.510 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.029 -10.528 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 61 2.235 -9.125 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.472 -7.495 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.411 -7.010 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.215 -7.707 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.132 -9.868 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.561 -10.187 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.833 -11.135 -3.286 1.00 0.00 H new ATOM 974 N TYR A 62 2.698 -6.267 -6.787 1.00 0.00 N ATOM 975 CA TYR A 62 2.137 -5.033 -7.337 1.00 0.00 C ATOM 976 C TYR A 62 1.703 -5.192 -8.805 1.00 0.00 C ATOM 977 O TYR A 62 0.974 -4.350 -9.332 1.00 0.00 O ATOM 978 CB TYR A 62 3.161 -3.899 -7.210 1.00 0.00 C ATOM 979 CG TYR A 62 2.677 -2.571 -7.752 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.592 -1.923 -7.180 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.303 -1.972 -8.837 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.141 -0.716 -7.674 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.860 -0.762 -9.336 1.00 0.00 C ATOM 984 CZ TYR A 62 1.779 -0.138 -8.751 1.00 0.00 C ATOM 985 OH TYR A 62 1.333 1.065 -9.250 1.00 0.00 O ATOM 0 H TYR A 62 3.687 -6.207 -6.544 1.00 0.00 H new ATOM 0 HA TYR A 62 1.243 -4.792 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.425 -3.777 -6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.072 -4.185 -7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.092 -2.371 -6.334 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.149 -2.459 -9.298 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.292 -0.227 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.358 -0.308 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 62 1.894 1.333 -10.008 1.00 0.00 H new ATOM 995 N ASN A 63 2.140 -6.275 -9.455 1.00 0.00 N ATOM 996 CA ASN A 63 1.806 -6.521 -10.858 1.00 0.00 C ATOM 997 C ASN A 63 0.330 -6.887 -11.054 1.00 0.00 C ATOM 998 O ASN A 63 -0.403 -6.164 -11.733 1.00 0.00 O ATOM 999 CB ASN A 63 2.695 -7.633 -11.428 1.00 0.00 C ATOM 1000 CG ASN A 63 4.171 -7.272 -11.414 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.541 -6.104 -11.540 1.00 0.00 O ATOM 1002 ND2 ASN A 63 5.026 -8.279 -11.262 1.00 0.00 N ATOM 0 H ASN A 63 2.726 -6.994 -9.031 1.00 0.00 H new ATOM 0 HA ASN A 63 1.987 -5.590 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.543 -8.545 -10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.388 -7.849 -12.451 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.030 -8.098 -11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.678 -9.233 -11.161 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.107 -8.001 -10.459 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.493 -8.457 -10.612 1.00 0.00 C ATOM 1011 C GLN A 64 -2.404 -7.993 -9.472 1.00 0.00 C ATOM 1012 O GLN A 64 -3.624 -8.072 -9.606 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.541 -9.983 -10.719 1.00 0.00 C ATOM 1014 CG GLN A 64 -0.973 -10.526 -12.020 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.063 -12.038 -12.108 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.054 -12.584 -12.593 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.027 -12.726 -11.636 1.00 0.00 N ATOM 0 H GLN A 64 0.473 -8.600 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.868 -8.005 -11.530 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.988 -10.414 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.575 -10.312 -10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.510 -10.084 -12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.069 -10.221 -12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.775 -12.234 -11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.035 -13.745 -11.668 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.853 -7.507 -8.363 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.687 -7.083 -7.236 1.00 0.00 C ATOM 1028 C ALA A 65 -3.504 -5.832 -7.561 1.00 0.00 C ATOM 1029 O ALA A 65 -4.645 -5.698 -7.115 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.832 -6.847 -6.003 1.00 0.00 C ATOM 0 H ALA A 65 -0.849 -7.397 -8.218 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.392 -7.890 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.467 -6.533 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.317 -7.770 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.098 -6.069 -6.213 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.921 -4.922 -8.340 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.600 -3.683 -8.716 1.00 0.00 C ATOM 1038 C ARG A 66 -4.605 -3.922 -9.847 1.00 0.00 C ATOM 1039 O ARG A 66 -5.597 -3.200 -9.966 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.577 -2.631 -9.145 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.147 -1.224 -9.227 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.090 -0.214 -9.641 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.701 -0.366 -11.043 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.233 0.627 -11.803 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.091 1.855 -11.306 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.904 0.392 -13.069 1.00 0.00 N ATOM 0 H ARG A 66 -1.981 -5.019 -8.723 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.146 -3.322 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.746 -2.636 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.171 -2.907 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.969 -1.205 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.561 -0.942 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.470 0.795 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.211 -0.330 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.793 -1.289 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.341 2.044 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.732 2.606 -11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.009 -0.545 -13.458 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.546 1.149 -13.652 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.341 -4.937 -10.670 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.214 -5.270 -11.793 1.00 0.00 C ATOM 1062 C VAL A 67 -6.350 -6.203 -11.364 1.00 0.00 C ATOM 1063 O VAL A 67 -7.509 -5.980 -11.718 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.416 -5.929 -12.940 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -5.316 -6.217 -14.130 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.245 -5.050 -13.355 1.00 0.00 C ATOM 0 H VAL A 67 -3.526 -5.544 -10.578 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.645 -4.334 -12.148 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.021 -6.877 -12.575 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.731 -6.681 -14.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.116 -6.893 -13.826 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.747 -5.285 -14.494 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.696 -5.533 -14.164 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.618 -4.084 -13.695 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.581 -4.903 -12.503 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.012 -7.245 -10.598 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.000 -8.217 -10.122 1.00 0.00 C ATOM 1078 C LYS A 68 -8.026 -7.576 -9.188 1.00 0.00 C ATOM 1079 O LYS A 68 -9.176 -8.013 -9.133 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.308 -9.373 -9.396 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.506 -10.278 -10.317 1.00 0.00 C ATOM 1082 CD LYS A 68 -4.897 -11.453 -9.565 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.966 -12.399 -9.034 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.801 -12.980 -10.126 1.00 0.00 N ATOM 0 H LYS A 68 -5.058 -7.437 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.525 -8.595 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.645 -8.966 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.061 -9.969 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.151 -10.651 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.713 -9.701 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.225 -11.999 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.296 -11.081 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.490 -13.205 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.608 -11.863 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.360 -13.773 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.442 -12.250 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.184 -13.322 -10.890 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.601 -6.553 -8.447 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.486 -5.861 -7.517 1.00 0.00 C ATOM 1100 C TYR A 69 -8.728 -4.419 -7.960 1.00 0.00 C ATOM 1101 O TYR A 69 -7.947 -3.857 -8.729 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.892 -5.886 -6.108 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.772 -7.275 -5.524 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.722 -8.112 -5.881 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.707 -7.748 -4.615 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.609 -9.382 -5.348 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.601 -9.015 -4.078 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.551 -9.829 -4.446 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.438 -11.092 -3.912 1.00 0.00 O ATOM 0 H TYR A 69 -6.649 -6.187 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.445 -6.380 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.905 -5.425 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.513 -5.277 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.982 -7.764 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.531 -7.114 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.787 -10.021 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.338 -9.368 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.180 -11.253 -3.293 1.00 0.00 H new ATOM 1119 N SER A 70 -9.817 -3.829 -7.469 1.00 0.00 N ATOM 1120 CA SER A 70 -10.169 -2.453 -7.816 1.00 0.00 C ATOM 1121 C SER A 70 -9.308 -1.456 -7.039 1.00 0.00 C ATOM 1122 O SER A 70 -9.665 -1.039 -5.934 1.00 0.00 O ATOM 1123 CB SER A 70 -11.656 -2.199 -7.544 1.00 0.00 C ATOM 1124 OG SER A 70 -12.472 -3.073 -8.304 1.00 0.00 O ATOM 0 H SER A 70 -10.470 -4.282 -6.830 1.00 0.00 H new ATOM 0 HA SER A 70 -9.977 -2.311 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.863 -2.335 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.901 -1.165 -7.787 1.00 0.00 H new ATOM 0 HG SER A 70 -12.574 -3.923 -7.827 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.164 -1.089 -7.620 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.247 -0.138 -6.994 1.00 0.00 C ATOM 1132 C LEU A 71 -7.038 1.082 -7.896 1.00 0.00 C ATOM 1133 O LEU A 71 -7.711 2.100 -7.729 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.900 -0.807 -6.677 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.904 -1.776 -5.489 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.692 -3.035 -5.815 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.481 -2.130 -5.086 1.00 0.00 C ATOM 0 H LEU A 71 -7.851 -1.438 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.693 0.196 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.566 -1.348 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.164 -0.027 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.391 -1.279 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.679 -3.705 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.722 -2.768 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.241 -3.535 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.503 -2.819 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.972 -2.602 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.947 -1.223 -4.801 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.110 0.971 -8.854 1.00 0.00 N ATOM 1150 CA LEU A 72 -5.820 2.064 -9.783 1.00 0.00 C ATOM 1151 C LEU A 72 -5.801 1.549 -11.220 1.00 0.00 C ATOM 1152 O LEU A 72 -4.739 1.243 -11.768 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.475 2.731 -9.452 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.424 3.538 -8.149 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.573 4.536 -8.087 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.441 2.614 -6.939 1.00 0.00 C ATOM 0 H LEU A 72 -5.548 0.133 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.609 2.809 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.710 1.956 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.208 3.393 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.489 4.098 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.517 5.098 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.503 5.224 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.522 4.002 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.404 3.209 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.355 2.020 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.576 1.951 -6.975 1.00 0.00 H new ATOM 1168 N GLU A 73 -6.985 1.445 -11.818 1.00 0.00 N ATOM 1169 CA GLU A 73 -7.114 0.962 -13.189 1.00 0.00 C ATOM 1170 C GLU A 73 -7.650 2.062 -14.106 1.00 0.00 C ATOM 1171 O GLU A 73 -8.867 2.348 -14.048 1.00 0.00 O ATOM 1172 CB GLU A 73 -8.028 -0.268 -13.232 1.00 0.00 C ATOM 1173 CG GLU A 73 -7.510 -1.444 -12.415 1.00 0.00 C ATOM 1174 CD GLU A 73 -6.187 -1.982 -12.933 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -6.206 -2.767 -13.904 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -5.134 -1.621 -12.365 1.00 0.00 O ATOM 0 H GLU A 73 -7.870 1.689 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.125 0.676 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.016 0.011 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.150 -0.583 -14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.390 -1.135 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.251 -2.243 -12.426 1.00 0.00 H new TER 1183 GLU A 73