USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 617 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 51 THR OG1 : rot 180:sc= -0.0351 USER MOD Set 1.2: A 52 ASN : amide:sc= -0.191 K(o=-0.051,f=-0.96) USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0.175 USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= 0.351 F(o=-0.96,f=0.65) USER MOD Set 2.2: A 44 THR OG1 : rot -21:sc= 0.303 USER MOD Single : A 1 SER N :NH3+ -119:sc= 0.0755 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS :FLIP no HD1:sc= -1.31! C(o=-2.8!,f=-1.3!) USER MOD Single : A 3 MET CE :methyl 168:sc= -0.559 (180deg=-0.585) USER MOD Single : A 4 THR OG1 : rot -160:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.278 F(o=-1.6,f=-0.28) USER MOD Single : A 16 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.21) USER MOD Single : A 25 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.0074) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 90:sc= -0.923 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00076 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.636 (180deg=0.635) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= 0 USER MOD Single : A 39 CYS SG : rot -5:sc= -2.86 USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 1.16 (180deg=0.0474) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 52:sc= -2.18! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -159:sc= 1.25 USER MOD Single : A 76 THR OG1 : rot 103:sc= 0.135 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.543 -9.170 17.369 1.00 0.00 N ATOM 2 CA SER A 1 6.040 -8.909 16.019 1.00 0.00 C ATOM 3 C SER A 1 5.437 -7.614 15.467 1.00 0.00 C ATOM 4 O SER A 1 4.719 -6.895 16.141 1.00 0.00 O ATOM 5 CB SER A 1 5.713 -10.095 15.131 1.00 0.00 C ATOM 6 OG SER A 1 4.317 -10.212 15.068 1.00 0.00 O ATOM 0 H1 SER A 1 6.341 -9.184 18.036 1.00 0.00 H new ATOM 0 H2 SER A 1 4.875 -8.421 17.644 1.00 0.00 H new ATOM 0 H3 SER A 1 5.059 -10.090 17.389 1.00 0.00 H new ATOM 0 HA SER A 1 7.122 -8.778 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.130 -9.952 14.134 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.155 -11.007 15.533 1.00 0.00 H new ATOM 0 HG SER A 1 4.078 -10.972 14.497 1.00 0.00 H new ATOM 13 N HIS A 2 5.735 -7.274 14.201 1.00 0.00 N ATOM 14 CA HIS A 2 5.419 -5.976 13.545 1.00 0.00 C ATOM 15 C HIS A 2 5.778 -5.982 12.025 1.00 0.00 C ATOM 16 O HIS A 2 4.967 -6.473 11.234 1.00 0.00 O ATOM 17 CB HIS A 2 6.088 -4.807 14.304 1.00 0.00 C ATOM 18 CG HIS A 2 7.585 -4.880 14.589 1.00 0.00 C ATOM 19 ND1 HIS A 2 8.465 -5.921 14.405 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 8.338 -3.850 15.119 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 9.746 -5.544 14.818 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 9.619 -4.270 15.248 1.00 0.00 N flip ATOM 0 H HIS A 2 6.222 -7.915 13.575 1.00 0.00 H new ATOM 0 HA HIS A 2 4.340 -5.828 13.596 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.904 -3.895 13.736 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.575 -4.696 15.259 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.967 -2.872 15.386 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.645 -6.143 14.798 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.382 -3.703 15.618 1.00 0.00 H new ATOM 30 N MET A 3 7.040 -5.663 11.684 1.00 0.00 N ATOM 31 CA MET A 3 7.718 -5.749 10.372 1.00 0.00 C ATOM 32 C MET A 3 7.831 -7.184 9.834 1.00 0.00 C ATOM 33 O MET A 3 8.801 -7.518 9.177 1.00 0.00 O ATOM 34 CB MET A 3 9.095 -5.060 10.491 1.00 0.00 C ATOM 35 CG MET A 3 8.975 -3.542 10.632 1.00 0.00 C ATOM 36 SD MET A 3 8.394 -2.710 9.133 1.00 0.00 S ATOM 37 CE MET A 3 6.830 -2.028 9.720 1.00 0.00 C ATOM 0 H MET A 3 7.678 -5.301 12.392 1.00 0.00 H new ATOM 0 HA MET A 3 7.107 -5.231 9.632 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.626 -5.462 11.354 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.693 -5.295 9.611 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.291 -3.316 11.450 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.948 -3.135 10.908 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.449 -1.313 8.991 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.108 -2.834 9.850 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.988 -1.525 10.674 1.00 0.00 H new ATOM 47 N THR A 4 6.873 -8.067 10.123 1.00 0.00 N ATOM 48 CA THR A 4 6.796 -9.417 9.582 1.00 0.00 C ATOM 49 C THR A 4 5.824 -9.480 8.420 1.00 0.00 C ATOM 50 O THR A 4 6.255 -9.649 7.291 1.00 0.00 O ATOM 51 CB THR A 4 6.431 -10.400 10.690 1.00 0.00 C ATOM 52 OG1 THR A 4 7.229 -10.178 11.835 1.00 0.00 O ATOM 53 CG2 THR A 4 6.589 -11.847 10.243 1.00 0.00 C ATOM 0 H THR A 4 6.107 -7.851 10.761 1.00 0.00 H new ATOM 0 HA THR A 4 7.773 -9.702 9.191 1.00 0.00 H new ATOM 0 HB THR A 4 5.382 -10.228 10.932 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.221 -10.979 12.400 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.319 -12.513 11.063 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.937 -12.038 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.625 -12.028 9.955 1.00 0.00 H new ATOM 61 N ALA A 5 4.542 -9.231 8.673 1.00 0.00 N ATOM 62 CA ALA A 5 3.479 -9.455 7.698 1.00 0.00 C ATOM 63 C ALA A 5 3.548 -8.435 6.553 1.00 0.00 C ATOM 64 O ALA A 5 3.484 -8.760 5.378 1.00 0.00 O ATOM 65 CB ALA A 5 2.174 -9.321 8.493 1.00 0.00 C ATOM 0 H ALA A 5 4.210 -8.866 9.566 1.00 0.00 H new ATOM 0 HA ALA A 5 3.563 -10.432 7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.325 -9.477 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.154 -10.067 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.115 -8.324 8.930 1.00 0.00 H new ATOM 71 N VAL A 6 3.659 -7.181 6.981 1.00 0.00 N ATOM 72 CA VAL A 6 3.782 -5.968 6.183 1.00 0.00 C ATOM 73 C VAL A 6 5.002 -6.083 5.279 1.00 0.00 C ATOM 74 O VAL A 6 4.927 -5.745 4.109 1.00 0.00 O ATOM 75 CB VAL A 6 3.853 -4.766 7.145 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.209 -3.458 6.435 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.518 -4.569 7.895 1.00 0.00 C ATOM 0 H VAL A 6 3.666 -6.971 7.979 1.00 0.00 H new ATOM 0 HA VAL A 6 2.921 -5.823 5.530 1.00 0.00 H new ATOM 0 HB VAL A 6 4.648 -5.003 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.244 -2.647 7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.183 -3.558 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.454 -3.236 5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.600 -3.714 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.719 -4.390 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.291 -5.464 8.474 1.00 0.00 H new ATOM 87 N GLN A 7 6.100 -6.617 5.806 1.00 0.00 N ATOM 88 CA GLN A 7 7.385 -6.725 5.142 1.00 0.00 C ATOM 89 C GLN A 7 7.379 -7.754 4.021 1.00 0.00 C ATOM 90 O GLN A 7 7.638 -7.440 2.869 1.00 0.00 O ATOM 91 CB GLN A 7 8.377 -7.086 6.262 1.00 0.00 C ATOM 92 CG GLN A 7 9.855 -7.107 5.878 1.00 0.00 C ATOM 93 CD GLN A 7 10.333 -5.771 5.337 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.604 -4.694 5.532 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.359 -5.690 4.686 1.00 0.00 N flip ATOM 0 H GLN A 7 6.113 -7.002 6.750 1.00 0.00 H new ATOM 0 HA GLN A 7 7.658 -5.795 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.246 -6.375 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.111 -8.069 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.450 -7.376 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.021 -7.880 5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.931 -6.520 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.647 -4.792 4.297 1.00 0.00 H new ATOM 104 N ASP A 8 7.029 -8.970 4.395 1.00 0.00 N ATOM 105 CA ASP A 8 6.703 -10.112 3.506 1.00 0.00 C ATOM 106 C ASP A 8 5.792 -9.680 2.338 1.00 0.00 C ATOM 107 O ASP A 8 6.205 -9.770 1.174 1.00 0.00 O ATOM 108 CB ASP A 8 6.059 -11.184 4.437 1.00 0.00 C ATOM 109 CG ASP A 8 5.341 -12.340 3.724 1.00 0.00 C ATOM 110 OD1 ASP A 8 5.625 -13.563 4.158 1.00 0.00 O ATOM 111 OD2 ASP A 8 4.466 -12.138 2.942 1.00 0.00 O1- ATOM 0 H ASP A 8 6.955 -9.221 5.381 1.00 0.00 H new ATOM 0 HA ASP A 8 7.585 -10.520 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.839 -11.602 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.345 -10.687 5.094 1.00 0.00 H new ATOM 116 N PHE A 9 4.645 -9.060 2.652 1.00 0.00 N ATOM 117 CA PHE A 9 3.718 -8.537 1.663 1.00 0.00 C ATOM 118 C PHE A 9 4.361 -7.442 0.785 1.00 0.00 C ATOM 119 O PHE A 9 4.151 -7.427 -0.424 1.00 0.00 O ATOM 120 CB PHE A 9 2.515 -7.931 2.383 1.00 0.00 C ATOM 121 CG PHE A 9 1.618 -7.234 1.391 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.665 -5.835 1.292 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.962 -7.971 0.392 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.038 -5.178 0.227 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.344 -7.307 -0.683 1.00 0.00 C ATOM 126 CZ PHE A 9 0.335 -5.906 -0.742 1.00 0.00 C ATOM 0 H PHE A 9 4.340 -8.911 3.614 1.00 0.00 H new ATOM 0 HA PHE A 9 3.422 -9.363 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.960 -8.712 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.852 -7.224 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.188 -5.261 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.932 -9.049 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.096 -4.102 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.127 -7.880 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.207 -5.395 -1.524 1.00 0.00 H new ATOM 136 N VAL A 10 5.059 -6.491 1.401 1.00 0.00 N ATOM 137 CA VAL A 10 5.758 -5.399 0.677 1.00 0.00 C ATOM 138 C VAL A 10 6.665 -5.938 -0.428 1.00 0.00 C ATOM 139 O VAL A 10 6.502 -5.508 -1.569 1.00 0.00 O ATOM 140 CB VAL A 10 6.512 -4.449 1.646 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.604 -3.599 0.968 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.558 -3.454 2.339 1.00 0.00 C ATOM 0 H VAL A 10 5.164 -6.444 2.414 1.00 0.00 H new ATOM 0 HA VAL A 10 4.991 -4.799 0.187 1.00 0.00 H new ATOM 0 HB VAL A 10 6.972 -5.130 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.084 -2.962 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.349 -4.255 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.153 -2.977 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.128 -2.809 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.058 -2.845 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.813 -4.004 2.914 1.00 0.00 H new ATOM 152 N VAL A 11 7.552 -6.923 -0.180 1.00 0.00 N ATOM 153 CA VAL A 11 8.470 -7.467 -1.209 1.00 0.00 C ATOM 154 C VAL A 11 7.827 -8.169 -2.422 1.00 0.00 C ATOM 155 O VAL A 11 8.471 -8.307 -3.461 1.00 0.00 O ATOM 156 CB VAL A 11 9.715 -8.226 -0.685 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.978 -7.360 -0.846 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.641 -8.542 0.809 1.00 0.00 C ATOM 0 H VAL A 11 7.654 -7.364 0.734 1.00 0.00 H new ATOM 0 HA VAL A 11 8.849 -6.526 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 11 9.750 -9.147 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.844 -7.907 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.124 -7.123 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.861 -6.437 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.542 -9.074 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.559 -7.613 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.768 -9.165 1.006 1.00 0.00 H new ATOM 168 N ASP A 12 6.572 -8.573 -2.292 1.00 0.00 N ATOM 169 CA ASP A 12 5.702 -9.086 -3.386 1.00 0.00 C ATOM 170 C ASP A 12 5.498 -8.022 -4.500 1.00 0.00 C ATOM 171 O ASP A 12 5.465 -8.325 -5.687 1.00 0.00 O ATOM 172 CB ASP A 12 4.357 -9.500 -2.737 1.00 0.00 C ATOM 173 CG ASP A 12 3.628 -10.721 -3.328 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.576 -11.088 -2.735 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.094 -11.281 -4.343 1.00 0.00 O1- ATOM 0 H ASP A 12 6.095 -8.559 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 12 6.168 -9.941 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.540 -9.696 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.681 -8.647 -2.790 1.00 0.00 H new ATOM 180 N ILE A 13 5.458 -6.740 -4.110 1.00 0.00 N ATOM 181 CA ILE A 13 5.603 -5.527 -4.947 1.00 0.00 C ATOM 182 C ILE A 13 7.098 -5.231 -5.120 1.00 0.00 C ATOM 183 O ILE A 13 7.522 -4.918 -6.224 1.00 0.00 O ATOM 184 CB ILE A 13 4.935 -4.339 -4.246 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.422 -4.502 -4.038 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.170 -3.082 -5.098 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.951 -5.568 -3.046 1.00 0.00 C ATOM 0 H ILE A 13 5.313 -6.499 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 13 5.133 -5.686 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 13 5.383 -4.268 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.023 -3.541 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.972 -4.723 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.702 -2.223 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.241 -2.904 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.734 -3.226 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.862 -5.569 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.302 -6.548 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.353 -5.348 -2.057 1.00 0.00 H new ATOM 199 N LEU A 14 7.880 -5.203 -4.031 1.00 0.00 N ATOM 200 CA LEU A 14 9.061 -4.346 -3.969 1.00 0.00 C ATOM 201 C LEU A 14 10.179 -4.872 -4.864 1.00 0.00 C ATOM 202 O LEU A 14 10.657 -4.161 -5.743 1.00 0.00 O ATOM 203 CB LEU A 14 9.570 -4.192 -2.516 1.00 0.00 C ATOM 204 CG LEU A 14 10.019 -2.764 -2.145 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.845 -2.781 -0.846 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.870 -2.096 -3.232 1.00 0.00 C ATOM 0 H LEU A 14 7.714 -5.759 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 14 8.762 -3.364 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.779 -4.500 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.407 -4.874 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 14 9.101 -2.189 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.154 -1.766 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.239 -3.184 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.728 -3.405 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.153 -1.094 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.768 -2.688 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.295 -2.030 -4.155 1.00 0.00 H new ATOM 218 N LEU A 15 10.599 -6.120 -4.625 1.00 0.00 N ATOM 219 CA LEU A 15 11.594 -6.787 -5.457 1.00 0.00 C ATOM 220 C LEU A 15 10.914 -7.616 -6.538 1.00 0.00 C ATOM 221 O LEU A 15 11.349 -7.609 -7.685 1.00 0.00 O ATOM 222 CB LEU A 15 12.493 -7.691 -4.596 1.00 0.00 C ATOM 223 CG LEU A 15 13.753 -7.025 -3.989 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.837 -6.846 -5.069 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.514 -5.671 -3.301 1.00 0.00 C ATOM 0 H LEU A 15 10.257 -6.690 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 15 12.210 -6.024 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.892 -8.094 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.812 -8.536 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 15 14.075 -7.712 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.716 -6.377 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.111 -7.820 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.452 -6.214 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.457 -5.290 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.108 -4.963 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.807 -5.799 -2.481 1.00 0.00 H new ATOM 237 N ASN A 16 9.856 -8.336 -6.169 1.00 0.00 N ATOM 238 CA ASN A 16 9.180 -9.251 -7.090 1.00 0.00 C ATOM 239 C ASN A 16 8.379 -8.529 -8.175 1.00 0.00 C ATOM 240 O ASN A 16 8.307 -9.019 -9.312 1.00 0.00 O ATOM 241 CB ASN A 16 8.256 -10.176 -6.289 1.00 0.00 C ATOM 242 CG ASN A 16 9.049 -11.194 -5.496 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.913 -11.866 -6.039 1.00 0.00 O ATOM 244 ND2 ASN A 16 8.798 -11.354 -4.204 1.00 0.00 N ATOM 0 H ASN A 16 9.446 -8.304 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 16 9.952 -9.824 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.642 -9.582 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.576 -10.690 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.326 -12.038 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.077 -10.793 -3.751 1.00 0.00 H new ATOM 251 N GLY A 17 7.815 -7.359 -7.846 1.00 0.00 N ATOM 252 CA GLY A 17 6.903 -6.608 -8.698 1.00 0.00 C ATOM 253 C GLY A 17 5.444 -7.027 -8.564 1.00 0.00 C ATOM 254 O GLY A 17 5.101 -8.205 -8.477 1.00 0.00 O ATOM 0 H GLY A 17 7.991 -6.901 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.989 -5.548 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.211 -6.727 -9.737 1.00 0.00 H new ATOM 258 N ALA A 18 4.596 -6.004 -8.578 1.00 0.00 N ATOM 259 CA ALA A 18 3.156 -6.064 -8.345 1.00 0.00 C ATOM 260 C ALA A 18 2.364 -6.862 -9.402 1.00 0.00 C ATOM 261 O ALA A 18 2.900 -7.530 -10.286 1.00 0.00 O ATOM 262 CB ALA A 18 2.689 -4.608 -8.201 1.00 0.00 C ATOM 0 H ALA A 18 4.914 -5.053 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 18 2.952 -6.634 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.614 -4.587 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.204 -4.142 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.917 -4.061 -9.116 1.00 0.00 H new ATOM 268 N ARG A 19 1.031 -6.793 -9.266 1.00 0.00 N ATOM 269 CA ARG A 19 0.022 -7.004 -10.301 1.00 0.00 C ATOM 270 C ARG A 19 0.243 -5.976 -11.438 1.00 0.00 C ATOM 271 O ARG A 19 1.349 -5.557 -11.732 1.00 0.00 O ATOM 272 CB ARG A 19 -1.398 -6.946 -9.714 1.00 0.00 C ATOM 273 CG ARG A 19 -1.629 -7.669 -8.386 1.00 0.00 C ATOM 274 CD ARG A 19 -1.174 -9.119 -8.160 1.00 0.00 C ATOM 275 NE ARG A 19 0.212 -9.235 -7.635 1.00 0.00 N ATOM 276 CZ ARG A 19 1.266 -9.755 -8.252 1.00 0.00 C ATOM 277 NH1 ARG A 19 1.121 -10.502 -9.320 1.00 0.00 N ATOM 278 NH2 ARG A 19 2.490 -9.587 -7.775 1.00 0.00 N ATOM 0 H ARG A 19 0.606 -6.573 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 19 0.128 -8.004 -10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.667 -5.898 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.086 -7.361 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.153 -7.066 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.702 -7.643 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.859 -9.601 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.243 -9.663 -9.102 1.00 0.00 H new ATOM 0 HE ARG A 19 0.371 -8.874 -6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.188 -10.691 -9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.941 -10.894 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.635 -9.050 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.288 -9.994 -8.263 1.00 0.00 H new ATOM 292 N ASP A 20 -0.831 -5.606 -12.093 1.00 0.00 N ATOM 293 CA ASP A 20 -0.923 -4.518 -13.120 1.00 0.00 C ATOM 294 C ASP A 20 -0.204 -3.184 -12.813 1.00 0.00 C ATOM 295 O ASP A 20 -0.163 -2.266 -13.646 1.00 0.00 O ATOM 296 CB ASP A 20 -2.429 -4.304 -13.333 1.00 0.00 C ATOM 297 CG ASP A 20 -2.776 -3.463 -14.570 1.00 0.00 C ATOM 298 OD1 ASP A 20 -3.200 -2.304 -14.394 1.00 0.00 O ATOM 299 OD2 ASP A 20 -2.776 -4.025 -15.693 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.730 -6.062 -11.938 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.382 -4.847 -14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.914 -5.276 -13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.844 -3.819 -12.450 1.00 0.00 H new ATOM 304 N TRP A 21 0.390 -2.989 -11.604 1.00 0.00 N ATOM 305 CA TRP A 21 0.929 -1.751 -11.093 1.00 0.00 C ATOM 306 C TRP A 21 2.401 -1.449 -11.483 1.00 0.00 C ATOM 307 O TRP A 21 3.204 -2.329 -11.772 1.00 0.00 O ATOM 308 CB TRP A 21 0.760 -1.665 -9.550 1.00 0.00 C ATOM 309 CG TRP A 21 -0.637 -1.795 -8.990 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.664 -2.523 -9.480 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.229 -1.012 -7.919 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.792 -2.325 -8.730 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.624 -1.306 -7.845 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.747 0.029 -7.109 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.499 -0.578 -7.040 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.625 0.800 -6.324 1.00 0.00 C ATOM 317 CH2 TRP A 21 -2.991 0.504 -6.303 1.00 0.00 C ATOM 0 H TRP A 21 0.499 -3.755 -10.939 1.00 0.00 H new ATOM 0 HA TRP A 21 0.337 -0.979 -11.585 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.376 -2.444 -9.101 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.166 -0.709 -9.221 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.604 -3.170 -10.342 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.648 -2.871 -8.823 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.312 0.241 -7.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.545 -0.841 -6.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.243 1.622 -5.737 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.662 1.113 -5.715 1.00 0.00 H new ATOM 328 N ASP A 22 2.680 -0.153 -11.412 1.00 0.00 N ATOM 329 CA ASP A 22 3.999 0.469 -11.358 1.00 0.00 C ATOM 330 C ASP A 22 4.501 0.312 -9.917 1.00 0.00 C ATOM 331 O ASP A 22 3.713 0.251 -8.975 1.00 0.00 O ATOM 332 CB ASP A 22 3.866 1.905 -11.886 1.00 0.00 C ATOM 333 CG ASP A 22 4.918 2.923 -11.456 1.00 0.00 C ATOM 334 OD1 ASP A 22 4.614 4.066 -11.289 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.115 2.442 -11.291 1.00 0.00 O1- ATOM 0 H ASP A 22 1.935 0.543 -11.389 1.00 0.00 H new ATOM 0 HA ASP A 22 4.754 0.006 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.867 1.862 -12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.890 2.284 -11.583 1.00 0.00 H new ATOM 340 N VAL A 23 5.806 0.162 -9.782 1.00 0.00 N ATOM 341 CA VAL A 23 6.469 -0.155 -8.533 1.00 0.00 C ATOM 342 C VAL A 23 7.200 1.119 -8.238 1.00 0.00 C ATOM 343 O VAL A 23 8.197 1.458 -8.870 1.00 0.00 O ATOM 344 CB VAL A 23 7.414 -1.376 -8.658 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.260 -1.571 -7.390 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.603 -2.648 -8.945 1.00 0.00 C ATOM 0 H VAL A 23 6.453 0.261 -10.564 1.00 0.00 H new ATOM 0 HA VAL A 23 5.786 -0.454 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 23 8.093 -1.183 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.910 -2.437 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.868 -0.683 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.603 -1.732 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.279 -3.499 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.900 -2.823 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.053 -2.526 -9.878 1.00 0.00 H new ATOM 356 N LEU A 24 6.667 1.822 -7.261 1.00 0.00 N ATOM 357 CA LEU A 24 7.168 3.134 -6.915 1.00 0.00 C ATOM 358 C LEU A 24 7.660 3.156 -5.495 1.00 0.00 C ATOM 359 O LEU A 24 7.040 2.611 -4.593 1.00 0.00 O ATOM 360 CB LEU A 24 6.122 4.207 -7.133 1.00 0.00 C ATOM 361 CG LEU A 24 6.676 5.278 -8.094 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.518 6.158 -8.457 1.00 0.00 C ATOM 363 CD2 LEU A 24 7.827 6.131 -7.533 1.00 0.00 C ATOM 0 H LEU A 24 5.883 1.504 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 24 8.006 3.351 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.215 3.767 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.850 4.663 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 24 7.116 4.765 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.854 6.939 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.745 5.561 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.112 6.615 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.145 6.853 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.487 6.660 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.666 5.485 -7.273 1.00 0.00 H new ATOM 375 N GLN A 25 8.700 3.933 -5.276 1.00 0.00 N ATOM 376 CA GLN A 25 9.025 4.375 -3.947 1.00 0.00 C ATOM 377 C GLN A 25 8.917 5.881 -3.921 1.00 0.00 C ATOM 378 O GLN A 25 9.798 6.628 -4.341 1.00 0.00 O ATOM 379 CB GLN A 25 10.353 3.786 -3.511 1.00 0.00 C ATOM 380 CG GLN A 25 10.074 2.330 -3.143 1.00 0.00 C ATOM 381 CD GLN A 25 10.274 1.308 -4.260 1.00 0.00 C ATOM 382 OE1 GLN A 25 11.376 1.110 -4.750 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.241 0.584 -4.637 1.00 0.00 N ATOM 0 H GLN A 25 9.331 4.268 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 25 8.325 4.010 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.089 3.851 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.760 4.331 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.719 2.057 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.046 2.256 -2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.323 0.752 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.359 -0.145 -5.340 1.00 0.00 H new ATOM 392 N THR A 26 7.746 6.282 -3.444 1.00 0.00 N ATOM 393 CA THR A 26 7.403 7.634 -3.012 1.00 0.00 C ATOM 394 C THR A 26 6.662 7.549 -1.671 1.00 0.00 C ATOM 395 O THR A 26 6.479 6.448 -1.147 1.00 0.00 O ATOM 396 CB THR A 26 6.714 8.376 -4.169 1.00 0.00 C ATOM 397 OG1 THR A 26 6.465 9.692 -3.757 1.00 0.00 O ATOM 398 CG2 THR A 26 5.426 7.744 -4.694 1.00 0.00 C ATOM 0 H THR A 26 6.963 5.636 -3.342 1.00 0.00 H new ATOM 0 HA THR A 26 8.271 8.256 -2.794 1.00 0.00 H new ATOM 0 HB THR A 26 7.402 8.325 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.027 10.184 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.028 8.351 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.637 6.739 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.693 7.690 -3.889 1.00 0.00 H new ATOM 406 N THR A 27 6.259 8.666 -1.065 1.00 0.00 N ATOM 407 CA THR A 27 5.454 8.754 0.153 1.00 0.00 C ATOM 408 C THR A 27 4.287 9.667 -0.187 1.00 0.00 C ATOM 409 O THR A 27 4.370 10.565 -1.025 1.00 0.00 O ATOM 410 CB THR A 27 6.242 9.302 1.361 1.00 0.00 C ATOM 411 OG1 THR A 27 6.846 10.538 1.041 1.00 0.00 O ATOM 412 CG2 THR A 27 7.337 8.326 1.827 1.00 0.00 C ATOM 0 H THR A 27 6.500 9.587 -1.432 1.00 0.00 H new ATOM 0 HA THR A 27 5.128 7.759 0.457 1.00 0.00 H new ATOM 0 HB THR A 27 5.523 9.433 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.340 10.872 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.866 8.753 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.881 7.380 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.041 8.153 1.013 1.00 0.00 H new ATOM 420 N CYS A 28 3.178 9.388 0.468 1.00 0.00 N ATOM 421 CA CYS A 28 1.955 10.142 0.429 1.00 0.00 C ATOM 422 C CYS A 28 1.691 10.750 1.796 1.00 0.00 C ATOM 423 O CYS A 28 2.148 10.238 2.816 1.00 0.00 O ATOM 424 CB CYS A 28 0.900 9.151 0.000 1.00 0.00 C ATOM 425 SG CYS A 28 -0.773 9.636 0.434 1.00 0.00 S ATOM 0 H CYS A 28 3.110 8.574 1.079 1.00 0.00 H new ATOM 0 HA CYS A 28 1.978 10.983 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.960 9.016 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.117 8.184 0.455 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.286 10.337 -0.533 1.00 0.00 H new ATOM 431 N THR A 29 0.923 11.842 1.836 1.00 0.00 N ATOM 432 CA THR A 29 0.500 12.455 3.093 1.00 0.00 C ATOM 433 C THR A 29 -0.968 12.777 3.065 1.00 0.00 C ATOM 434 O THR A 29 -1.353 13.642 2.293 1.00 0.00 O ATOM 435 CB THR A 29 1.308 13.725 3.381 1.00 0.00 C ATOM 436 OG1 THR A 29 2.690 13.435 3.341 1.00 0.00 O ATOM 437 CG2 THR A 29 0.973 14.362 4.741 1.00 0.00 C ATOM 0 H THR A 29 0.580 12.321 1.003 1.00 0.00 H new ATOM 0 HA THR A 29 0.685 11.735 3.891 1.00 0.00 H new ATOM 0 HB THR A 29 1.038 14.444 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.201 14.251 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.579 15.257 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.083 14.631 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.185 13.650 5.538 1.00 0.00 H new ATOM 445 N VAL A 30 -1.729 12.091 3.902 1.00 0.00 N ATOM 446 CA VAL A 30 -3.205 12.169 3.878 1.00 0.00 C ATOM 447 C VAL A 30 -3.749 11.875 5.269 1.00 0.00 C ATOM 448 O VAL A 30 -3.155 11.136 6.045 1.00 0.00 O ATOM 449 CB VAL A 30 -3.839 11.228 2.810 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.357 11.039 2.939 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.611 11.764 1.386 1.00 0.00 C ATOM 0 H VAL A 30 -1.358 11.465 4.617 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.484 13.182 3.587 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.341 10.275 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.708 10.369 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.589 10.609 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.853 12.004 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.065 11.085 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.065 12.750 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.541 11.837 1.192 1.00 0.00 H new ATOM 461 N ASP A 31 -4.890 12.484 5.611 1.00 0.00 N ATOM 462 CA ASP A 31 -5.628 12.304 6.888 1.00 0.00 C ATOM 463 C ASP A 31 -4.823 12.837 8.088 1.00 0.00 C ATOM 464 O ASP A 31 -4.958 12.391 9.233 1.00 0.00 O ATOM 465 CB ASP A 31 -6.063 10.830 7.065 1.00 0.00 C ATOM 466 CG ASP A 31 -7.597 10.690 7.167 1.00 0.00 C ATOM 467 OD1 ASP A 31 -8.299 11.277 6.311 1.00 0.00 O ATOM 468 OD2 ASP A 31 -8.074 10.027 8.127 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.352 13.145 4.987 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.538 12.903 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.700 10.241 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.601 10.421 7.963 1.00 0.00 H new ATOM 473 N ARG A 32 -3.943 13.786 7.755 1.00 0.00 N ATOM 474 CA ARG A 32 -2.991 14.437 8.651 1.00 0.00 C ATOM 475 C ARG A 32 -1.972 13.402 9.183 1.00 0.00 C ATOM 476 O ARG A 32 -1.475 13.562 10.296 1.00 0.00 O ATOM 477 CB ARG A 32 -3.764 15.244 9.732 1.00 0.00 C ATOM 478 CG ARG A 32 -4.656 16.336 9.110 1.00 0.00 C ATOM 479 CD ARG A 32 -5.709 16.917 10.064 1.00 0.00 C ATOM 480 NE ARG A 32 -6.892 16.029 10.198 1.00 0.00 N ATOM 481 CZ ARG A 32 -7.523 15.707 11.325 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.039 16.026 12.502 1.00 0.00 N ATOM 483 NH2 ARG A 32 -8.658 15.040 11.302 1.00 0.00 N ATOM 0 H ARG A 32 -3.874 14.138 6.800 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.385 15.174 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.380 14.564 10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.053 15.704 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.021 17.147 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.163 15.921 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.261 17.074 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.028 17.893 9.699 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.259 15.624 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.157 16.534 12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.545 15.766 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.068 14.761 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.127 14.802 12.176 1.00 0.00 H new ATOM 497 N LYS A 33 -1.670 12.358 8.392 1.00 0.00 N ATOM 498 CA LYS A 33 -0.711 11.266 8.613 1.00 0.00 C ATOM 499 C LYS A 33 0.060 11.087 7.289 1.00 0.00 C ATOM 500 O LYS A 33 -0.423 11.445 6.218 1.00 0.00 O ATOM 501 CB LYS A 33 -1.499 9.997 9.019 1.00 0.00 C ATOM 502 CG LYS A 33 -0.804 8.632 8.976 1.00 0.00 C ATOM 503 CD LYS A 33 0.146 8.313 10.143 1.00 0.00 C ATOM 504 CE LYS A 33 0.018 6.797 10.331 1.00 0.00 C ATOM 505 NZ LYS A 33 0.746 6.219 11.481 1.00 0.00 N ATOM 0 H LYS A 33 -2.139 12.249 7.493 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.001 11.473 9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.860 10.148 10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.376 9.937 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.571 7.859 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.238 8.565 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.172 8.600 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.139 8.852 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.039 6.553 10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.369 6.308 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.603 5.189 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.761 6.425 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.387 6.635 12.364 1.00 0.00 H new ATOM 519 N VAL A 34 1.255 10.525 7.307 1.00 0.00 N ATOM 520 CA VAL A 34 2.047 10.230 6.109 1.00 0.00 C ATOM 521 C VAL A 34 2.136 8.715 6.023 1.00 0.00 C ATOM 522 O VAL A 34 2.198 8.045 7.055 1.00 0.00 O ATOM 523 CB VAL A 34 3.460 10.815 6.229 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.423 10.541 5.047 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.523 12.308 6.593 1.00 0.00 C ATOM 0 H VAL A 34 1.720 10.251 8.173 1.00 0.00 H new ATOM 0 HA VAL A 34 1.584 10.667 5.224 1.00 0.00 H new ATOM 0 HB VAL A 34 3.823 10.236 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.388 11.005 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.555 9.466 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.004 10.959 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.564 12.624 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.011 12.891 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.039 12.468 7.556 1.00 0.00 H new ATOM 535 N TYR A 35 2.142 8.208 4.795 1.00 0.00 N ATOM 536 CA TYR A 35 2.275 6.792 4.476 1.00 0.00 C ATOM 537 C TYR A 35 3.267 6.607 3.346 1.00 0.00 C ATOM 538 O TYR A 35 3.385 7.445 2.454 1.00 0.00 O ATOM 539 CB TYR A 35 0.950 6.242 3.972 1.00 0.00 C ATOM 540 CG TYR A 35 -0.202 6.506 4.888 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.007 7.638 4.674 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.449 5.618 5.945 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.094 7.898 5.525 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.558 5.858 6.780 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.398 6.978 6.557 1.00 0.00 C ATOM 546 OH TYR A 35 -3.452 7.205 7.388 1.00 0.00 O ATOM 0 H TYR A 35 2.051 8.793 3.965 1.00 0.00 H new ATOM 0 HA TYR A 35 2.599 6.278 5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.734 6.678 2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.046 5.166 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.790 8.308 3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.197 4.769 6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.690 8.789 5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.770 5.183 7.596 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.519 6.475 8.038 1.00 0.00 H new ATOM 556 N LYS A 36 3.966 5.480 3.332 1.00 0.00 N ATOM 557 CA LYS A 36 4.997 5.221 2.335 1.00 0.00 C ATOM 558 C LYS A 36 4.456 4.296 1.249 1.00 0.00 C ATOM 559 O LYS A 36 3.909 3.246 1.586 1.00 0.00 O ATOM 560 CB LYS A 36 6.253 4.670 2.995 1.00 0.00 C ATOM 561 CG LYS A 36 6.661 5.163 4.402 1.00 0.00 C ATOM 562 CD LYS A 36 7.777 4.291 5.004 1.00 0.00 C ATOM 563 CE LYS A 36 9.146 4.415 4.307 1.00 0.00 C ATOM 564 NZ LYS A 36 10.113 5.191 5.121 1.00 0.00 N ATOM 0 H LYS A 36 3.836 4.725 4.005 1.00 0.00 H new ATOM 0 HA LYS A 36 5.278 6.158 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.143 3.587 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.088 4.873 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.999 6.198 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.792 5.149 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.896 4.554 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.461 3.248 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.548 3.420 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.018 4.897 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.021 5.251 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.742 6.149 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.255 4.717 6.036 1.00 0.00 H new ATOM 578 N THR A 37 4.534 4.714 -0.020 1.00 0.00 N ATOM 579 CA THR A 37 3.930 4.028 -1.162 1.00 0.00 C ATOM 580 C THR A 37 4.910 3.058 -1.797 1.00 0.00 C ATOM 581 O THR A 37 6.074 3.389 -1.975 1.00 0.00 O ATOM 582 CB THR A 37 3.173 4.929 -2.148 1.00 0.00 C ATOM 583 OG1 THR A 37 3.496 4.608 -3.481 1.00 0.00 O ATOM 584 CG2 THR A 37 3.266 6.439 -1.916 1.00 0.00 C ATOM 0 H THR A 37 5.034 5.563 -0.285 1.00 0.00 H new ATOM 0 HA THR A 37 3.115 3.427 -0.759 1.00 0.00 H new ATOM 0 HB THR A 37 2.127 4.700 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.672 4.492 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.689 6.961 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.867 6.681 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.308 6.752 -1.972 1.00 0.00 H new ATOM 592 N ILE A 38 4.406 1.876 -2.133 1.00 0.00 N ATOM 593 CA ILE A 38 5.163 0.746 -2.710 1.00 0.00 C ATOM 594 C ILE A 38 4.991 0.645 -4.214 1.00 0.00 C ATOM 595 O ILE A 38 5.851 0.148 -4.939 1.00 0.00 O ATOM 596 CB ILE A 38 4.623 -0.615 -2.206 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.015 -0.566 -0.782 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.881 -1.522 -2.183 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.558 -1.942 -0.284 1.00 0.00 C ATOM 0 H ILE A 38 3.417 1.659 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 38 6.196 0.937 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 38 3.813 -0.959 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.754 -0.161 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.166 0.117 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.605 -2.518 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.299 -1.589 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.624 -1.097 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.141 -1.846 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.798 -2.338 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.410 -2.621 -0.259 1.00 0.00 H new ATOM 611 N CYS A 39 3.794 1.001 -4.648 1.00 0.00 N ATOM 612 CA CYS A 39 3.341 0.781 -5.987 1.00 0.00 C ATOM 613 C CYS A 39 2.231 1.731 -6.282 1.00 0.00 C ATOM 614 O CYS A 39 1.364 2.003 -5.448 1.00 0.00 O ATOM 615 CB CYS A 39 2.907 -0.669 -6.183 1.00 0.00 C ATOM 616 SG CYS A 39 2.017 -1.443 -4.814 1.00 0.00 S ATOM 0 H CYS A 39 3.103 1.461 -4.055 1.00 0.00 H new ATOM 0 HA CYS A 39 4.158 0.963 -6.686 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.276 -0.718 -7.070 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.796 -1.265 -6.391 1.00 0.00 H new ATOM 0 HG CYS A 39 1.984 -0.628 -3.802 1.00 0.00 H new ATOM 622 N LYS A 40 2.270 2.192 -7.515 1.00 0.00 N ATOM 623 CA LYS A 40 1.296 3.046 -8.079 1.00 0.00 C ATOM 624 C LYS A 40 0.544 2.389 -9.217 1.00 0.00 C ATOM 625 O LYS A 40 1.082 1.656 -10.041 1.00 0.00 O ATOM 626 CB LYS A 40 2.032 4.327 -8.467 1.00 0.00 C ATOM 627 CG LYS A 40 1.121 5.476 -8.868 1.00 0.00 C ATOM 628 CD LYS A 40 1.845 6.446 -9.808 1.00 0.00 C ATOM 629 CE LYS A 40 1.953 5.809 -11.203 1.00 0.00 C ATOM 630 NZ LYS A 40 3.137 6.311 -11.950 1.00 0.00 N ATOM 0 H LYS A 40 3.022 1.960 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 40 0.504 3.280 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.650 4.645 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.707 4.108 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.230 5.085 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.787 6.008 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.301 7.389 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.838 6.674 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.019 4.726 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.048 6.023 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.882 6.458 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.452 7.212 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.907 5.615 -11.889 1.00 0.00 H new ATOM 644 N ARG A 41 -0.732 2.718 -9.309 1.00 0.00 N ATOM 645 CA ARG A 41 -1.547 2.410 -10.458 1.00 0.00 C ATOM 646 C ARG A 41 -2.690 3.395 -10.499 1.00 0.00 C ATOM 647 O ARG A 41 -3.489 3.507 -9.583 1.00 0.00 O ATOM 648 CB ARG A 41 -2.040 0.974 -10.331 1.00 0.00 C ATOM 649 CG ARG A 41 -3.194 0.629 -11.264 1.00 0.00 C ATOM 650 CD ARG A 41 -4.459 0.430 -10.413 1.00 0.00 C ATOM 651 NE ARG A 41 -5.707 0.196 -11.154 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.963 -0.096 -12.418 1.00 0.00 C ATOM 653 NH1 ARG A 41 -5.052 -0.262 -13.344 1.00 0.00 N ATOM 654 NH2 ARG A 41 -7.230 -0.117 -12.753 1.00 0.00 N ATOM 0 H ARG A 41 -1.234 3.214 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.985 2.493 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.210 0.297 -10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.354 0.798 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.347 1.427 -11.991 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.969 -0.276 -11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.293 -0.415 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.593 1.311 -9.786 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.544 0.275 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.064 -0.167 -13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.331 -0.486 -14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.946 0.085 -12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.500 -0.335 -13.712 1.00 0.00 H new ATOM 668 N GLY A 42 -2.769 4.081 -11.613 1.00 0.00 N ATOM 669 CA GLY A 42 -3.840 5.016 -11.885 1.00 0.00 C ATOM 670 C GLY A 42 -3.548 6.323 -11.157 1.00 0.00 C ATOM 671 O GLY A 42 -2.449 6.864 -11.249 1.00 0.00 O ATOM 0 H GLY A 42 -2.085 4.007 -12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.924 5.192 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.793 4.604 -11.554 1.00 0.00 H new ATOM 675 N ASN A 43 -4.514 6.772 -10.364 1.00 0.00 N ATOM 676 CA ASN A 43 -4.327 7.795 -9.331 1.00 0.00 C ATOM 677 C ASN A 43 -3.924 7.205 -7.974 1.00 0.00 C ATOM 678 O ASN A 43 -3.848 7.922 -6.977 1.00 0.00 O ATOM 679 CB ASN A 43 -5.612 8.629 -9.227 1.00 0.00 C ATOM 680 CG ASN A 43 -6.919 7.928 -8.852 1.00 0.00 C ATOM 681 OD1 ASN A 43 -6.951 6.715 -8.312 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.979 8.496 -9.069 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.473 6.429 -10.419 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.495 8.435 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.437 9.415 -8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.765 9.120 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.983 9.428 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.860 8.038 -8.836 1.00 0.00 H new ATOM 689 N THR A 44 -3.774 5.874 -7.931 1.00 0.00 N ATOM 690 CA THR A 44 -3.763 5.055 -6.703 1.00 0.00 C ATOM 691 C THR A 44 -2.325 4.685 -6.374 1.00 0.00 C ATOM 692 O THR A 44 -1.518 4.492 -7.275 1.00 0.00 O ATOM 693 CB THR A 44 -4.654 3.811 -6.849 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.827 4.128 -7.567 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.121 3.208 -5.533 1.00 0.00 C ATOM 0 H THR A 44 -3.653 5.316 -8.776 1.00 0.00 H new ATOM 0 HA THR A 44 -4.179 5.633 -5.878 1.00 0.00 H new ATOM 0 HB THR A 44 -4.020 3.087 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.989 5.093 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.743 2.336 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.255 2.908 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.700 3.947 -4.979 1.00 0.00 H new ATOM 703 N TYR A 45 -1.991 4.603 -5.091 1.00 0.00 N ATOM 704 CA TYR A 45 -0.681 4.511 -4.483 1.00 0.00 C ATOM 705 C TYR A 45 -0.994 3.687 -3.257 1.00 0.00 C ATOM 706 O TYR A 45 -1.814 4.060 -2.411 1.00 0.00 O ATOM 707 CB TYR A 45 -0.135 5.865 -4.027 1.00 0.00 C ATOM 708 CG TYR A 45 0.311 6.771 -5.136 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.677 6.941 -5.415 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.656 7.431 -5.898 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.104 7.825 -6.412 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.239 8.321 -6.908 1.00 0.00 C ATOM 713 CZ TYR A 45 1.138 8.558 -7.141 1.00 0.00 C ATOM 714 OH TYR A 45 1.517 9.484 -8.062 1.00 0.00 O ATOM 0 H TYR A 45 -2.719 4.600 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 45 0.068 4.111 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.905 6.375 -3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.707 5.694 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.409 6.381 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.707 7.262 -5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.156 7.946 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.978 8.828 -7.511 1.00 0.00 H new ATOM 0 HH TYR A 45 0.721 9.888 -8.466 1.00 0.00 H new ATOM 724 N LEU A 46 -0.452 2.493 -3.238 1.00 0.00 N ATOM 725 CA LEU A 46 -0.677 1.576 -2.155 1.00 0.00 C ATOM 726 C LEU A 46 0.434 1.854 -1.153 1.00 0.00 C ATOM 727 O LEU A 46 1.616 1.789 -1.507 1.00 0.00 O ATOM 728 CB LEU A 46 -0.601 0.177 -2.733 1.00 0.00 C ATOM 729 CG LEU A 46 -1.695 -0.815 -2.312 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.120 -0.957 -0.854 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.996 -0.444 -3.000 1.00 0.00 C ATOM 0 H LEU A 46 0.156 2.133 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.644 1.681 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.619 0.259 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.365 -0.249 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.199 -1.748 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.904 -1.710 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.263 -1.261 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.497 -0.001 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.777 -1.145 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.286 0.566 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.861 -0.486 -4.081 1.00 0.00 H new ATOM 743 N CYS A 47 0.067 2.181 0.076 1.00 0.00 N ATOM 744 CA CYS A 47 0.998 2.586 1.115 1.00 0.00 C ATOM 745 C CYS A 47 0.856 1.737 2.387 1.00 0.00 C ATOM 746 O CYS A 47 -0.070 0.936 2.510 1.00 0.00 O ATOM 747 CB CYS A 47 0.771 4.075 1.437 1.00 0.00 C ATOM 748 SG CYS A 47 0.560 5.129 -0.036 1.00 0.00 S ATOM 0 H CYS A 47 -0.905 2.172 0.384 1.00 0.00 H new ATOM 0 HA CYS A 47 2.011 2.430 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.113 4.169 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.617 4.444 2.017 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.356 4.620 -0.806 1.00 0.00 H new ATOM 754 N PHE A 48 1.755 1.937 3.345 1.00 0.00 N ATOM 755 CA PHE A 48 1.747 1.191 4.608 1.00 0.00 C ATOM 756 C PHE A 48 2.074 2.057 5.835 1.00 0.00 C ATOM 757 O PHE A 48 2.743 3.084 5.731 1.00 0.00 O ATOM 758 CB PHE A 48 2.677 -0.024 4.444 1.00 0.00 C ATOM 759 CG PHE A 48 4.154 0.264 4.408 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.814 0.494 3.193 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.907 0.207 5.583 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.219 0.594 3.155 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.300 0.311 5.550 1.00 0.00 C ATOM 764 CZ PHE A 48 6.982 0.460 4.331 1.00 0.00 C ATOM 0 H PHE A 48 2.510 2.619 3.273 1.00 0.00 H new ATOM 0 HA PHE A 48 0.735 0.844 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.484 -0.715 5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.407 -0.539 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.243 0.595 2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.405 0.081 6.531 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.716 0.775 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.859 0.276 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.061 0.471 4.297 1.00 0.00 H new ATOM 774 N ASP A 49 1.615 1.615 6.999 1.00 0.00 N ATOM 775 CA ASP A 49 2.146 1.921 8.329 1.00 0.00 C ATOM 776 C ASP A 49 2.807 0.625 8.839 1.00 0.00 C ATOM 777 O ASP A 49 2.786 -0.429 8.201 1.00 0.00 O ATOM 778 CB ASP A 49 1.038 2.179 9.373 1.00 0.00 C ATOM 779 CG ASP A 49 0.294 3.511 9.453 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.326 3.770 10.517 1.00 0.00 O ATOM 781 OD2 ASP A 49 0.442 4.351 8.561 1.00 0.00 O1- ATOM 0 H ASP A 49 0.809 0.992 7.046 1.00 0.00 H new ATOM 0 HA ASP A 49 2.791 2.794 8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.283 1.406 9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.484 2.009 10.353 1.00 0.00 H new ATOM 786 N ASP A 50 3.248 0.671 10.087 1.00 0.00 N ATOM 787 CA ASP A 50 3.792 -0.503 10.766 1.00 0.00 C ATOM 788 C ASP A 50 2.771 -1.581 11.139 1.00 0.00 C ATOM 789 O ASP A 50 3.157 -2.668 11.593 1.00 0.00 O ATOM 790 CB ASP A 50 4.582 -0.117 12.034 1.00 0.00 C ATOM 791 CG ASP A 50 5.480 1.109 11.933 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.585 1.030 11.328 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.082 2.157 12.494 1.00 0.00 O1- ATOM 0 H ASP A 50 3.241 1.516 10.658 1.00 0.00 H new ATOM 0 HA ASP A 50 4.451 -0.940 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.869 0.049 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.199 -0.968 12.323 1.00 0.00 H new ATOM 798 N THR A 51 1.476 -1.282 10.974 1.00 0.00 N ATOM 799 CA THR A 51 0.352 -2.114 11.394 1.00 0.00 C ATOM 800 C THR A 51 -0.260 -2.930 10.259 1.00 0.00 C ATOM 801 O THR A 51 -0.861 -3.968 10.522 1.00 0.00 O ATOM 802 CB THR A 51 -0.728 -1.190 11.995 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.064 -0.162 11.095 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.304 -0.456 13.266 1.00 0.00 C ATOM 0 H THR A 51 1.175 -0.417 10.525 1.00 0.00 H new ATOM 0 HA THR A 51 0.728 -2.833 12.122 1.00 0.00 H new ATOM 0 HB THR A 51 -1.550 -1.871 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.751 0.411 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.125 0.169 13.616 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.046 -1.182 14.037 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.563 0.170 13.053 1.00 0.00 H new ATOM 812 N ASN A 52 -0.253 -2.376 9.041 1.00 0.00 N ATOM 813 CA ASN A 52 -1.293 -2.522 8.013 1.00 0.00 C ATOM 814 C ASN A 52 -1.029 -1.526 6.866 1.00 0.00 C ATOM 815 O ASN A 52 -0.116 -0.718 6.873 1.00 0.00 O ATOM 816 CB ASN A 52 -2.799 -2.566 8.415 1.00 0.00 C ATOM 817 CG ASN A 52 -3.242 -1.347 9.268 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.439 -1.384 10.482 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.362 -0.179 8.655 1.00 0.00 N ATOM 0 H ASN A 52 0.516 -1.784 8.729 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.167 -3.560 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.408 -2.609 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.992 -3.482 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.611 0.654 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.206 -0.112 7.649 1.00 0.00 H new ATOM 826 N LEU A 53 -1.838 -1.632 5.817 1.00 0.00 N ATOM 827 CA LEU A 53 -1.730 -0.848 4.598 1.00 0.00 C ATOM 828 C LEU A 53 -2.892 0.109 4.419 1.00 0.00 C ATOM 829 O LEU A 53 -3.922 -0.053 5.063 1.00 0.00 O ATOM 830 CB LEU A 53 -1.532 -1.862 3.456 1.00 0.00 C ATOM 831 CG LEU A 53 -0.037 -2.193 3.374 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.368 -3.284 4.346 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.323 -2.722 2.018 1.00 0.00 C ATOM 0 H LEU A 53 -2.615 -2.292 5.795 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.877 -0.170 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.113 -2.765 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.883 -1.446 2.512 1.00 0.00 H new ATOM 0 HG LEU A 53 0.474 -1.258 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.436 -3.481 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.150 -2.963 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.190 -4.194 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.389 -2.949 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.247 -3.629 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.089 -1.973 1.261 1.00 0.00 H new ATOM 845 N TYR A 54 -2.750 1.005 3.425 1.00 0.00 N ATOM 846 CA TYR A 54 -3.797 1.911 3.010 1.00 0.00 C ATOM 847 C TYR A 54 -3.660 2.112 1.504 1.00 0.00 C ATOM 848 O TYR A 54 -2.541 2.403 1.123 1.00 0.00 O ATOM 849 CB TYR A 54 -3.683 3.227 3.787 1.00 0.00 C ATOM 850 CG TYR A 54 -3.472 3.090 5.285 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.493 3.478 6.166 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.260 2.598 5.810 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.327 3.379 7.543 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.134 2.390 7.190 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.142 2.830 8.080 1.00 0.00 C ATOM 856 OH TYR A 54 -3.008 2.678 9.429 1.00 0.00 O ATOM 0 H TYR A 54 -1.887 1.109 2.891 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.786 1.506 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.855 3.802 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.590 3.808 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.422 3.859 5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.432 2.382 5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.108 3.724 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.259 1.889 7.578 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.133 2.285 9.629 1.00 0.00 H new ATOM 866 N ALA A 55 -4.738 2.064 0.688 1.00 0.00 N ATOM 867 CA ALA A 55 -4.712 2.660 -0.618 1.00 0.00 C ATOM 868 C ALA A 55 -5.084 4.161 -0.535 1.00 0.00 C ATOM 869 O ALA A 55 -6.149 4.539 -0.056 1.00 0.00 O ATOM 870 CB ALA A 55 -5.655 1.814 -1.490 1.00 0.00 C ATOM 0 H ALA A 55 -5.621 1.615 0.932 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.720 2.655 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.678 2.220 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.297 0.785 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.659 1.837 -1.067 1.00 0.00 H new ATOM 876 N ILE A 56 -4.172 5.027 -1.020 1.00 0.00 N ATOM 877 CA ILE A 56 -4.543 6.401 -1.208 1.00 0.00 C ATOM 878 C ILE A 56 -5.000 6.628 -2.654 1.00 0.00 C ATOM 879 O ILE A 56 -4.186 6.600 -3.579 1.00 0.00 O ATOM 880 CB ILE A 56 -3.486 7.353 -0.653 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.478 7.323 0.904 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.964 8.784 -1.061 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.536 6.319 1.544 1.00 0.00 C ATOM 0 H ILE A 56 -3.213 4.791 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.418 6.650 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.499 7.082 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.218 8.318 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.490 7.113 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.252 9.524 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.030 8.850 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.944 8.978 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.614 6.387 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.804 5.312 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.512 6.536 1.240 1.00 0.00 H new ATOM 895 N THR A 57 -6.325 6.772 -2.808 1.00 0.00 N ATOM 896 CA THR A 57 -7.009 6.953 -4.090 1.00 0.00 C ATOM 897 C THR A 57 -7.174 8.453 -4.270 1.00 0.00 C ATOM 898 O THR A 57 -8.238 8.992 -3.972 1.00 0.00 O ATOM 899 CB THR A 57 -8.334 6.156 -4.142 1.00 0.00 C ATOM 900 OG1 THR A 57 -8.297 4.986 -3.344 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.670 5.739 -5.572 1.00 0.00 C ATOM 0 H THR A 57 -6.967 6.765 -2.016 1.00 0.00 H new ATOM 0 HA THR A 57 -6.435 6.551 -4.925 1.00 0.00 H new ATOM 0 HB THR A 57 -9.097 6.829 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.156 4.519 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.606 5.181 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.773 6.627 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.871 5.111 -5.965 1.00 0.00 H new ATOM 909 N GLY A 58 -6.076 9.122 -4.645 1.00 0.00 N ATOM 910 CA GLY A 58 -5.972 10.584 -4.748 1.00 0.00 C ATOM 911 C GLY A 58 -5.898 11.232 -3.371 1.00 0.00 C ATOM 912 O GLY A 58 -4.852 11.674 -2.927 1.00 0.00 O ATOM 0 H GLY A 58 -5.208 8.646 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.085 10.848 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.833 10.975 -5.290 1.00 0.00 H new ATOM 916 N ASP A 59 -7.029 11.225 -2.669 1.00 0.00 N ATOM 917 CA ASP A 59 -7.249 11.828 -1.318 1.00 0.00 C ATOM 918 C ASP A 59 -8.140 10.915 -0.425 1.00 0.00 C ATOM 919 O ASP A 59 -8.662 11.327 0.612 1.00 0.00 O ATOM 920 CB ASP A 59 -7.916 13.211 -1.527 1.00 0.00 C ATOM 921 CG ASP A 59 -6.892 14.351 -1.537 1.00 0.00 C ATOM 922 OD1 ASP A 59 -6.419 14.719 -0.437 1.00 0.00 O ATOM 923 OD2 ASP A 59 -6.710 14.938 -2.648 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.873 10.780 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.296 11.936 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.465 13.209 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.644 13.385 -0.734 1.00 0.00 H new ATOM 928 N VAL A 60 -8.361 9.673 -0.855 1.00 0.00 N ATOM 929 CA VAL A 60 -9.126 8.651 -0.124 1.00 0.00 C ATOM 930 C VAL A 60 -8.152 7.675 0.528 1.00 0.00 C ATOM 931 O VAL A 60 -7.555 6.868 -0.166 1.00 0.00 O ATOM 932 CB VAL A 60 -10.078 7.872 -1.052 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.745 6.650 -0.396 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.116 8.787 -1.708 1.00 0.00 C ATOM 0 H VAL A 60 -8.004 9.335 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.732 9.156 0.628 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.435 7.469 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.398 6.160 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.977 5.949 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.333 6.974 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.766 8.196 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.714 9.271 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.608 9.546 -2.302 1.00 0.00 H new ATOM 944 N VAL A 61 -8.007 7.743 1.846 1.00 0.00 N ATOM 945 CA VAL A 61 -7.220 6.804 2.636 1.00 0.00 C ATOM 946 C VAL A 61 -8.076 5.575 2.998 1.00 0.00 C ATOM 947 O VAL A 61 -8.829 5.528 3.973 1.00 0.00 O ATOM 948 CB VAL A 61 -6.582 7.495 3.853 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.569 8.050 4.891 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.528 6.586 4.491 1.00 0.00 C ATOM 0 H VAL A 61 -8.445 8.472 2.409 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.383 6.440 2.040 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.098 8.389 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.016 8.516 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.214 8.792 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.179 7.237 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.086 7.089 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.997 5.657 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.750 6.363 3.761 1.00 0.00 H new ATOM 960 N LEU A 62 -7.949 4.563 2.145 1.00 0.00 N ATOM 961 CA LEU A 62 -8.610 3.294 2.303 1.00 0.00 C ATOM 962 C LEU A 62 -7.734 2.345 3.094 1.00 0.00 C ATOM 963 O LEU A 62 -7.012 1.541 2.512 1.00 0.00 O ATOM 964 CB LEU A 62 -9.092 2.789 0.937 1.00 0.00 C ATOM 965 CG LEU A 62 -10.144 1.646 0.996 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.792 0.414 1.847 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.536 2.151 1.396 1.00 0.00 C ATOM 0 H LEU A 62 -7.367 4.615 1.309 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.516 3.387 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.518 3.627 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.229 2.440 0.370 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.141 1.296 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.610 -0.305 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.882 -0.046 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.634 0.719 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.233 1.314 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.486 2.613 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.879 2.886 0.668 1.00 0.00 H new ATOM 979 N LYS A 63 -7.876 2.443 4.426 1.00 0.00 N ATOM 980 CA LYS A 63 -7.260 1.564 5.415 1.00 0.00 C ATOM 981 C LYS A 63 -7.620 0.096 5.166 1.00 0.00 C ATOM 982 O LYS A 63 -8.814 -0.187 5.134 1.00 0.00 O ATOM 983 CB LYS A 63 -7.571 2.095 6.826 1.00 0.00 C ATOM 984 CG LYS A 63 -9.054 1.969 7.215 1.00 0.00 C ATOM 985 CD LYS A 63 -9.380 2.604 8.570 1.00 0.00 C ATOM 986 CE LYS A 63 -8.451 2.091 9.677 1.00 0.00 C ATOM 987 NZ LYS A 63 -9.047 2.250 11.030 1.00 0.00 N ATOM 0 H LYS A 63 -8.449 3.170 4.854 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.174 1.578 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.966 1.552 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.276 3.143 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.666 2.439 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.328 0.914 7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.292 3.688 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.415 2.386 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.227 1.039 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.505 2.630 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.384 1.890 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.237 3.257 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.937 1.715 11.082 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.620 -0.819 5.168 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.842 -2.218 5.293 1.00 0.00 C ATOM 1003 C PHE A 64 -6.728 -2.759 6.741 1.00 0.00 C ATOM 1004 O PHE A 64 -5.817 -2.408 7.482 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.812 -2.838 4.386 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.043 -2.447 2.943 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.059 -1.713 2.275 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.245 -2.718 2.267 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.253 -1.251 0.972 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.408 -2.268 0.947 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.424 -1.524 0.282 1.00 0.00 C ATOM 0 H PHE A 64 -5.635 -0.568 5.080 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.867 -2.468 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.815 -2.523 4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.847 -3.923 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.128 -1.498 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.035 -3.267 2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.478 -0.671 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.324 -2.504 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.572 -1.176 -0.730 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.588 -3.735 7.107 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.501 -4.473 8.368 1.00 0.00 C ATOM 1023 C ALA A 65 -6.387 -5.516 8.434 1.00 0.00 C ATOM 1024 O ALA A 65 -6.381 -6.330 9.347 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.841 -5.162 8.605 1.00 0.00 C ATOM 0 H ALA A 65 -8.369 -4.029 6.521 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.259 -3.741 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.803 -5.720 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.630 -4.413 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.049 -5.846 7.782 1.00 0.00 H new ATOM 1031 N THR A 66 -5.514 -5.599 7.435 1.00 0.00 N ATOM 1032 CA THR A 66 -4.569 -6.675 7.263 1.00 0.00 C ATOM 1033 C THR A 66 -3.580 -6.113 6.304 1.00 0.00 C ATOM 1034 O THR A 66 -3.811 -5.107 5.630 1.00 0.00 O ATOM 1035 CB THR A 66 -5.158 -7.928 6.593 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.549 -8.010 6.806 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.659 -9.248 7.157 1.00 0.00 C ATOM 0 H THR A 66 -5.450 -4.891 6.704 1.00 0.00 H new ATOM 0 HA THR A 66 -4.191 -6.988 8.236 1.00 0.00 H new ATOM 0 HB THR A 66 -4.859 -7.806 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.900 -8.814 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.129 -10.073 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.577 -9.309 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.912 -9.310 8.215 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.574 -6.923 6.117 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.713 -6.738 5.004 1.00 0.00 C ATOM 1047 C VAL A 67 -2.287 -7.391 3.738 1.00 0.00 C ATOM 1048 O VAL A 67 -2.370 -6.761 2.694 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.378 -7.361 5.321 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.583 -6.466 4.610 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.147 -7.381 6.734 1.00 0.00 C ATOM 0 H VAL A 67 -2.339 -7.710 6.722 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.609 -5.669 4.816 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.489 -8.413 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.600 -6.824 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.361 -6.468 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.490 -5.451 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.120 -7.872 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.249 -6.359 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.548 -7.927 7.373 1.00 0.00 H new ATOM 1061 N SER A 68 -2.732 -8.653 3.832 1.00 0.00 N ATOM 1062 CA SER A 68 -3.187 -9.433 2.661 1.00 0.00 C ATOM 1063 C SER A 68 -4.423 -8.822 1.988 1.00 0.00 C ATOM 1064 O SER A 68 -4.707 -9.104 0.823 1.00 0.00 O ATOM 1065 CB SER A 68 -3.390 -10.911 3.037 1.00 0.00 C ATOM 1066 OG SER A 68 -3.070 -11.741 1.935 1.00 0.00 O ATOM 0 H SER A 68 -2.788 -9.163 4.714 1.00 0.00 H new ATOM 0 HA SER A 68 -2.397 -9.389 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.761 -11.167 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.423 -11.079 3.341 1.00 0.00 H new ATOM 0 HG SER A 68 -3.201 -12.680 2.184 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.131 -7.904 2.666 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.143 -7.079 2.018 1.00 0.00 C ATOM 1074 C LYS A 69 -5.588 -6.305 0.827 1.00 0.00 C ATOM 1075 O LYS A 69 -6.103 -6.425 -0.272 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.597 -6.036 3.023 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.190 -6.536 4.326 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.687 -6.278 4.435 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.325 -7.452 3.675 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.763 -7.276 3.340 1.00 0.00 N ATOM 0 H LYS A 69 -5.015 -7.720 3.663 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.940 -7.739 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.742 -5.404 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.337 -5.400 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.004 -7.606 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.682 -6.052 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.013 -6.252 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.960 -5.320 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.769 -7.612 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.215 -8.356 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.106 -8.115 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.311 -7.155 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.879 -6.435 2.740 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.530 -5.523 1.061 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.831 -4.738 0.051 1.00 0.00 C ATOM 1096 C ALA A 70 -3.353 -5.596 -1.129 1.00 0.00 C ATOM 1097 O ALA A 70 -3.263 -5.085 -2.240 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.653 -4.083 0.756 1.00 0.00 C ATOM 0 H ALA A 70 -4.126 -5.419 1.992 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.505 -3.997 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.092 -3.480 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.019 -3.446 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.003 -4.853 1.170 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.135 -6.902 -0.907 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.810 -7.838 -1.984 1.00 0.00 C ATOM 1106 C ARG A 71 -3.992 -7.979 -2.939 1.00 0.00 C ATOM 1107 O ARG A 71 -3.835 -7.740 -4.130 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.370 -9.194 -1.408 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.582 -10.015 -2.444 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.394 -10.773 -1.846 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.779 -11.814 -0.882 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.051 -12.767 -0.476 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.310 -12.812 -0.869 1.00 0.00 N ATOM 1114 NH2 ARG A 71 -0.386 -13.686 0.360 1.00 0.00 N ATOM 0 H ARG A 71 -3.179 -7.332 0.017 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.971 -7.443 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.753 -9.033 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.247 -9.756 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.256 -10.728 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.221 -9.347 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.176 -11.232 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.268 -10.061 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.728 -11.803 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.672 -12.100 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.921 -13.558 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.352 -13.660 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.241 -14.424 0.680 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.179 -8.253 -2.388 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.457 -8.217 -3.093 1.00 0.00 C ATOM 1130 C ALA A 72 -6.863 -6.813 -3.599 1.00 0.00 C ATOM 1131 O ALA A 72 -7.644 -6.720 -4.544 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.518 -8.799 -2.158 1.00 0.00 C ATOM 0 H ALA A 72 -5.276 -8.514 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.361 -8.812 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.488 -8.787 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.254 -9.825 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.569 -8.200 -1.249 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.334 -5.720 -3.024 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.536 -4.376 -3.587 1.00 0.00 C ATOM 1140 C TYR A 73 -5.844 -4.264 -4.944 1.00 0.00 C ATOM 1141 O TYR A 73 -6.421 -3.893 -5.957 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.113 -3.242 -2.647 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.697 -1.944 -3.192 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -7.956 -1.499 -2.748 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -6.111 -1.332 -4.318 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.644 -0.494 -3.447 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.845 -0.408 -5.078 1.00 0.00 C ATOM 1148 CZ TYR A 73 -8.136 -0.017 -4.671 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.935 0.727 -5.481 1.00 0.00 O ATOM 0 H TYR A 73 -5.768 -5.741 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.611 -4.252 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.475 -3.429 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.026 -3.178 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.396 -1.934 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.096 -1.574 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.561 -0.088 -3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.418 0.006 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.586 0.702 -6.397 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.571 -4.638 -4.946 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.678 -4.568 -6.086 1.00 0.00 C ATOM 1161 C LEU A 74 -4.195 -5.239 -7.364 1.00 0.00 C ATOM 1162 O LEU A 74 -3.848 -4.828 -8.462 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.379 -5.232 -5.617 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.172 -4.291 -5.618 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.478 -2.999 -4.869 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.017 -4.974 -4.898 1.00 0.00 C ATOM 0 H LEU A 74 -4.117 -5.015 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.558 -3.525 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.524 -5.622 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.164 -6.085 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.924 -4.059 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.601 -2.351 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.315 -2.490 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.737 -3.230 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.850 -4.313 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.309 -5.198 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.237 -5.900 -5.414 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.010 -6.258 -7.218 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.598 -6.993 -8.344 1.00 0.00 C ATOM 1180 C GLU A 75 -6.992 -6.446 -8.735 1.00 0.00 C ATOM 1181 O GLU A 75 -7.519 -6.851 -9.775 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.602 -8.508 -8.018 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.862 -8.865 -6.546 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.451 -10.284 -6.143 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -6.270 -10.951 -5.466 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -4.257 -10.648 -6.327 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.295 -6.615 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.983 -6.842 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.362 -8.992 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.640 -8.928 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.327 -8.155 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.925 -8.738 -6.339 1.00 0.00 H new ATOM 1193 N THR A 76 -7.575 -5.508 -7.956 1.00 0.00 N ATOM 1194 CA THR A 76 -8.960 -5.042 -7.971 1.00 0.00 C ATOM 1195 C THR A 76 -9.014 -3.507 -7.822 1.00 0.00 C ATOM 1196 O THR A 76 -8.950 -2.954 -6.728 1.00 0.00 O ATOM 1197 CB THR A 76 -9.753 -5.636 -6.801 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.660 -7.026 -6.829 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.236 -5.300 -6.863 1.00 0.00 C ATOM 0 H THR A 76 -7.032 -5.022 -7.242 1.00 0.00 H new ATOM 0 HA THR A 76 -9.392 -5.357 -8.921 1.00 0.00 H new ATOM 0 HB THR A 76 -9.324 -5.208 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.023 -7.325 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.746 -5.747 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.365 -4.218 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.660 -5.694 -7.786 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.328 -2.868 -8.952 1.00 0.00 N ATOM 1208 CA LYS A 77 -9.784 -1.460 -9.180 1.00 0.00 C ATOM 1209 C LYS A 77 -8.717 -0.342 -9.072 1.00 0.00 C ATOM 1210 O LYS A 77 -8.329 0.037 -10.227 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.043 -1.156 -8.334 1.00 0.00 C ATOM 1212 CG LYS A 77 -12.355 -1.247 -9.141 1.00 0.00 C ATOM 1213 CD LYS A 77 -12.885 -2.679 -9.375 1.00 0.00 C ATOM 1214 CE LYS A 77 -13.818 -3.101 -8.231 1.00 0.00 C ATOM 1215 NZ LYS A 77 -14.496 -4.386 -8.498 1.00 0.00 N ATOM 1216 OXT LYS A 77 -8.371 0.125 -7.981 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.268 -3.366 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.032 -1.430 -10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.089 -1.855 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.954 -0.156 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.123 -0.673 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.201 -0.771 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.420 -2.725 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.049 -3.375 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.243 -3.182 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.567 -2.325 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.114 -4.626 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.068 -4.304 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.785 -5.134 -8.623 1.00 0.00 H new TER 1230 LYS A 77