USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 873 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 38 CYS SG : rot 140:sc= -2.72! USER MOD Set 1.2: A 79 CYS SG : rot -142:sc= 1.39 USER MOD Single : A 4 MET CE :methyl 154:sc= -4.23 (180deg=-5.65!) USER MOD Single : A 7 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-1.6!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.896 X(o=-0.9,f=-0.9) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 37 THR OG1 : rot -151:sc= 1.2 USER MOD Single : A 39 MET CE :methyl -173:sc= -0.0194 (180deg=-0.127) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.18) USER MOD Single : A 41 MET CE :methyl -109:sc= -6.44! (180deg=-13!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0789 F(o=-0.9,f=-0.079) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -160:sc= -0.548 USER MOD Single : A 82 MET CE :methyl -117:sc= -0.0668 (180deg=-3.13!) USER MOD Single : A 87 ASN : amide:sc= 1 K(o=1,f=-0.38) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.326 F(o=-1.1,f=-0.33) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.832 K(o=-0.83,f=-9.5!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -136:sc= -0.236 (180deg=-1.18!) USER MOD Single : A 110 GLN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 112 MET CE :methyl -118:sc= -4.89! (180deg=-7.02!) USER MOD Single : A 118 THR OG1 : rot 64:sc= 0.849 USER MOD Single : A 120 TYR OH : rot 142:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -5.036 9.906 -10.685 1.00 0.00 N ATOM 36 CA MET A 4 -5.663 8.584 -10.683 1.00 0.00 C ATOM 37 C MET A 4 -5.593 7.942 -9.298 1.00 0.00 C ATOM 38 O MET A 4 -6.570 7.960 -8.549 1.00 0.00 O ATOM 39 CB MET A 4 -5.007 7.662 -11.722 1.00 0.00 C ATOM 40 CG MET A 4 -3.547 7.985 -12.016 1.00 0.00 C ATOM 41 SD MET A 4 -2.608 6.539 -12.541 1.00 0.00 S ATOM 42 CE MET A 4 -2.516 5.617 -11.008 1.00 0.00 C ATOM 0 HA MET A 4 -6.711 8.720 -10.949 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.075 6.632 -11.371 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.574 7.720 -12.651 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.497 8.748 -12.793 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.086 8.409 -11.124 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.400 4.556 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.661 5.962 -10.426 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.431 5.771 -10.435 1.00 0.00 H new ATOM 52 N LEU A 5 -4.436 7.377 -8.963 1.00 0.00 N ATOM 53 CA LEU A 5 -4.241 6.729 -7.671 1.00 0.00 C ATOM 54 C LEU A 5 -4.692 7.634 -6.523 1.00 0.00 C ATOM 55 O LEU A 5 -4.004 8.595 -6.177 1.00 0.00 O ATOM 56 CB LEU A 5 -2.770 6.351 -7.488 1.00 0.00 C ATOM 57 CG LEU A 5 -2.530 5.029 -6.758 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.222 5.033 -5.405 1.00 0.00 C ATOM 59 CD2 LEU A 5 -3.013 3.861 -7.604 1.00 0.00 C ATOM 0 H LEU A 5 -3.617 7.355 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.851 5.826 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.299 6.298 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.271 7.149 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.459 4.915 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.040 4.084 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.829 5.848 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.294 5.169 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.835 2.927 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.080 3.970 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.471 3.848 -8.549 1.00 0.00 H new ATOM 71 N PRO A 6 -5.855 7.340 -5.914 1.00 0.00 N ATOM 72 CA PRO A 6 -6.386 8.137 -4.802 1.00 0.00 C ATOM 73 C PRO A 6 -5.438 8.168 -3.608 1.00 0.00 C ATOM 74 O PRO A 6 -4.873 7.144 -3.226 1.00 0.00 O ATOM 75 CB PRO A 6 -7.691 7.423 -4.428 1.00 0.00 C ATOM 76 CG PRO A 6 -8.047 6.613 -5.627 1.00 0.00 C ATOM 77 CD PRO A 6 -6.743 6.216 -6.257 1.00 0.00 C ATOM 0 HA PRO A 6 -6.526 9.180 -5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.557 6.791 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.477 8.139 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.629 5.735 -5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.657 7.191 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.372 5.272 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.837 6.090 -7.336 1.00 0.00 H new ATOM 85 N HIS A 7 -5.267 9.350 -3.024 1.00 0.00 N ATOM 86 CA HIS A 7 -4.385 9.514 -1.873 1.00 0.00 C ATOM 87 C HIS A 7 -5.187 9.794 -0.605 1.00 0.00 C ATOM 88 O HIS A 7 -6.418 9.802 -0.627 1.00 0.00 O ATOM 89 CB HIS A 7 -3.392 10.650 -2.124 1.00 0.00 C ATOM 90 CG HIS A 7 -4.049 11.957 -2.448 1.00 0.00 C ATOM 91 ND1 HIS A 7 -4.676 12.205 -3.651 1.00 0.00 N ATOM 92 CD2 HIS A 7 -4.174 13.090 -1.719 1.00 0.00 C ATOM 93 CE1 HIS A 7 -5.157 13.436 -3.648 1.00 0.00 C ATOM 94 NE2 HIS A 7 -4.867 13.993 -2.487 1.00 0.00 N ATOM 0 H HIS A 7 -5.727 10.208 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.835 8.583 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.766 10.776 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.732 10.370 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.799 13.254 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.696 13.906 -4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.117 14.941 -2.206 1.00 0.00 H new ATOM 103 N LEU A 8 -4.481 10.025 0.496 1.00 0.00 N ATOM 104 CA LEU A 8 -5.125 10.307 1.774 1.00 0.00 C ATOM 105 C LEU A 8 -5.113 11.805 2.069 1.00 0.00 C ATOM 106 O LEU A 8 -4.731 12.611 1.221 1.00 0.00 O ATOM 107 CB LEU A 8 -4.423 9.544 2.902 1.00 0.00 C ATOM 108 CG LEU A 8 -5.148 8.284 3.379 1.00 0.00 C ATOM 109 CD1 LEU A 8 -5.452 7.365 2.205 1.00 0.00 C ATOM 110 CD2 LEU A 8 -4.318 7.557 4.426 1.00 0.00 C ATOM 0 H LEU A 8 -3.462 10.023 0.530 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.162 9.976 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.425 9.265 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.297 10.216 3.751 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.093 8.582 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.968 6.474 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.086 7.887 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.520 7.074 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.848 6.663 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.358 7.272 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.152 8.214 5.279 1.00 0.00 H new ATOM 122 N HIS A 9 -5.532 12.169 3.277 1.00 0.00 N ATOM 123 CA HIS A 9 -5.567 13.571 3.680 1.00 0.00 C ATOM 124 C HIS A 9 -5.243 13.722 5.163 1.00 0.00 C ATOM 125 O HIS A 9 -4.439 14.572 5.548 1.00 0.00 O ATOM 126 CB HIS A 9 -6.942 14.173 3.383 1.00 0.00 C ATOM 127 CG HIS A 9 -6.909 15.652 3.152 1.00 0.00 C ATOM 128 ND1 HIS A 9 -6.455 16.221 1.981 1.00 0.00 N ATOM 129 CD2 HIS A 9 -7.279 16.682 3.950 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.545 17.536 2.069 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.043 17.841 3.253 1.00 0.00 N ATOM 0 H HIS A 9 -5.851 11.515 3.992 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.810 14.106 3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.361 13.685 2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.612 13.958 4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.684 16.606 4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.260 18.242 1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.223 18.785 3.595 1.00 0.00 H new ATOM 140 N ASN A 10 -5.873 12.896 5.992 1.00 0.00 N ATOM 141 CA ASN A 10 -5.649 12.942 7.432 1.00 0.00 C ATOM 142 C ASN A 10 -6.003 11.609 8.084 1.00 0.00 C ATOM 143 O ASN A 10 -6.349 10.646 7.401 1.00 0.00 O ATOM 144 CB ASN A 10 -6.476 14.066 8.061 1.00 0.00 C ATOM 145 CG ASN A 10 -5.709 15.371 8.144 1.00 0.00 C ATOM 146 OD1 ASN A 10 -5.747 16.187 7.222 1.00 0.00 O ATOM 147 ND2 ASN A 10 -5.008 15.576 9.252 1.00 0.00 N ATOM 0 H ASN A 10 -6.542 12.187 5.691 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.590 13.138 7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.383 14.217 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.789 13.767 9.062 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.472 16.437 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.005 14.873 9.991 1.00 0.00 H new ATOM 154 N GLY A 11 -5.913 11.563 9.409 1.00 0.00 N ATOM 155 CA GLY A 11 -6.225 10.345 10.133 1.00 0.00 C ATOM 156 C GLY A 11 -7.643 9.867 9.885 1.00 0.00 C ATOM 157 O GLY A 11 -7.928 8.674 9.980 1.00 0.00 O ATOM 0 H GLY A 11 -5.629 12.348 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.525 9.563 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.084 10.515 11.200 1.00 0.00 H new ATOM 161 N TRP A 12 -8.533 10.802 9.567 1.00 0.00 N ATOM 162 CA TRP A 12 -9.930 10.469 9.306 1.00 0.00 C ATOM 163 C TRP A 12 -10.045 9.454 8.172 1.00 0.00 C ATOM 164 O TRP A 12 -10.748 8.451 8.292 1.00 0.00 O ATOM 165 CB TRP A 12 -10.719 11.732 8.957 1.00 0.00 C ATOM 166 CG TRP A 12 -12.174 11.638 9.305 1.00 0.00 C ATOM 167 CD1 TRP A 12 -13.229 11.688 8.440 1.00 0.00 C ATOM 168 CD2 TRP A 12 -12.734 11.482 10.614 1.00 0.00 C ATOM 169 NE1 TRP A 12 -14.410 11.570 9.131 1.00 0.00 N ATOM 170 CE2 TRP A 12 -14.133 11.442 10.467 1.00 0.00 C ATOM 171 CE3 TRP A 12 -12.187 11.370 11.896 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -14.992 11.296 11.554 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -13.041 11.224 12.974 1.00 0.00 C ATOM 174 CH2 TRP A 12 -14.430 11.188 12.796 1.00 0.00 C ATOM 0 H TRP A 12 -8.313 11.794 9.484 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.347 10.025 10.210 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.281 12.582 9.481 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.620 11.930 7.890 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.147 11.803 7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -15.342 11.577 8.717 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.117 11.397 12.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -16.063 11.269 11.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.630 11.136 13.969 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -15.071 11.073 13.658 1.00 0.00 H new ATOM 185 N GLN A 13 -9.347 9.722 7.074 1.00 0.00 N ATOM 186 CA GLN A 13 -9.368 8.832 5.918 1.00 0.00 C ATOM 187 C GLN A 13 -8.487 7.607 6.157 1.00 0.00 C ATOM 188 O GLN A 13 -8.718 6.544 5.581 1.00 0.00 O ATOM 189 CB GLN A 13 -8.897 9.575 4.667 1.00 0.00 C ATOM 190 CG GLN A 13 -9.967 10.459 4.047 1.00 0.00 C ATOM 191 CD GLN A 13 -10.813 9.722 3.028 1.00 0.00 C ATOM 192 OE1 GLN A 13 -11.848 9.145 3.363 1.00 0.00 O ATOM 193 NE2 GLN A 13 -10.376 9.738 1.774 1.00 0.00 N ATOM 0 H GLN A 13 -8.760 10.548 6.960 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.394 8.496 5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.033 10.189 4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.564 8.848 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.611 10.850 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.493 11.316 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.513 10.229 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.904 9.260 1.044 1.00 0.00 H new ATOM 202 N VAL A 14 -7.479 7.765 7.009 1.00 0.00 N ATOM 203 CA VAL A 14 -6.566 6.673 7.322 1.00 0.00 C ATOM 204 C VAL A 14 -7.256 5.601 8.158 1.00 0.00 C ATOM 205 O VAL A 14 -7.347 4.443 7.749 1.00 0.00 O ATOM 206 CB VAL A 14 -5.323 7.178 8.080 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.304 6.060 8.244 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.705 8.371 7.362 1.00 0.00 C ATOM 0 H VAL A 14 -7.274 8.638 7.494 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.252 6.242 6.371 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.635 7.502 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.434 6.437 8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.751 5.240 8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.996 5.701 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.829 8.713 7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.409 8.076 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.435 9.179 7.304 1.00 0.00 H new ATOM 218 N ASP A 15 -7.741 5.994 9.332 1.00 0.00 N ATOM 219 CA ASP A 15 -8.424 5.066 10.227 1.00 0.00 C ATOM 220 C ASP A 15 -9.639 4.446 9.545 1.00 0.00 C ATOM 221 O ASP A 15 -10.004 3.303 9.822 1.00 0.00 O ATOM 222 CB ASP A 15 -8.854 5.783 11.508 1.00 0.00 C ATOM 223 CG ASP A 15 -9.267 4.817 12.600 1.00 0.00 C ATOM 224 OD1 ASP A 15 -9.874 3.776 12.273 1.00 0.00 O ATOM 225 OD2 ASP A 15 -8.985 5.102 13.783 1.00 0.00 O ATOM 0 H ASP A 15 -7.674 6.948 9.686 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.727 4.268 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.033 6.403 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.685 6.452 11.285 1.00 0.00 H new ATOM 230 N GLN A 16 -10.262 5.207 8.651 1.00 0.00 N ATOM 231 CA GLN A 16 -11.436 4.732 7.929 1.00 0.00 C ATOM 232 C GLN A 16 -11.031 3.880 6.730 1.00 0.00 C ATOM 233 O GLN A 16 -11.763 2.978 6.322 1.00 0.00 O ATOM 234 CB GLN A 16 -12.287 5.915 7.464 1.00 0.00 C ATOM 235 CG GLN A 16 -13.698 5.525 7.052 1.00 0.00 C ATOM 236 CD GLN A 16 -14.727 5.860 8.114 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.489 6.699 8.984 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.880 5.204 8.049 1.00 0.00 N ATOM 0 H GLN A 16 -9.973 6.155 8.409 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.024 4.114 8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.342 6.650 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.792 6.399 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.957 6.037 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.730 4.455 6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.035 4.517 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.611 5.387 8.737 1.00 0.00 H new ATOM 247 N ALA A 17 -9.860 4.171 6.170 1.00 0.00 N ATOM 248 CA ALA A 17 -9.359 3.432 5.018 1.00 0.00 C ATOM 249 C ALA A 17 -9.056 1.983 5.383 1.00 0.00 C ATOM 250 O ALA A 17 -9.293 1.071 4.591 1.00 0.00 O ATOM 251 CB ALA A 17 -8.116 4.108 4.459 1.00 0.00 C ATOM 0 H ALA A 17 -9.241 4.913 6.496 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.135 3.431 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.752 3.546 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.362 5.124 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.342 4.139 5.226 1.00 0.00 H new ATOM 257 N ILE A 18 -8.531 1.777 6.586 1.00 0.00 N ATOM 258 CA ILE A 18 -8.195 0.439 7.055 1.00 0.00 C ATOM 259 C ILE A 18 -9.425 -0.463 7.074 1.00 0.00 C ATOM 260 O ILE A 18 -9.376 -1.605 6.618 1.00 0.00 O ATOM 261 CB ILE A 18 -7.578 0.477 8.467 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.392 1.442 8.504 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.146 -0.918 8.898 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.303 2.242 9.785 1.00 0.00 C ATOM 0 H ILE A 18 -8.329 2.521 7.254 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.462 0.034 6.357 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.335 0.833 9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.470 0.876 8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.466 2.129 7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.713 -0.872 9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.012 -1.580 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.404 -1.302 8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.439 2.905 9.741 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.209 2.835 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.197 1.563 10.631 1.00 0.00 H new ATOM 276 N LEU A 19 -10.525 0.055 7.607 1.00 0.00 N ATOM 277 CA LEU A 19 -11.766 -0.706 7.687 1.00 0.00 C ATOM 278 C LEU A 19 -12.579 -0.569 6.402 1.00 0.00 C ATOM 279 O LEU A 19 -13.362 -1.452 6.055 1.00 0.00 O ATOM 280 CB LEU A 19 -12.599 -0.239 8.882 1.00 0.00 C ATOM 281 CG LEU A 19 -13.903 -1.008 9.104 1.00 0.00 C ATOM 282 CD1 LEU A 19 -13.656 -2.239 9.962 1.00 0.00 C ATOM 283 CD2 LEU A 19 -14.948 -0.109 9.745 1.00 0.00 C ATOM 0 H LEU A 19 -10.583 0.999 7.990 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.507 -1.757 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.990 -0.319 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.836 0.817 8.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.280 -1.336 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.594 -2.774 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.940 -2.893 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.256 -1.934 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.869 -0.672 9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.580 0.249 10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.145 0.742 9.093 1.00 0.00 H new ATOM 295 N SER A 20 -12.390 0.546 5.702 1.00 0.00 N ATOM 296 CA SER A 20 -13.107 0.799 4.457 1.00 0.00 C ATOM 297 C SER A 20 -12.841 -0.302 3.435 1.00 0.00 C ATOM 298 O SER A 20 -13.706 -0.628 2.622 1.00 0.00 O ATOM 299 CB SER A 20 -12.703 2.155 3.878 1.00 0.00 C ATOM 300 OG SER A 20 -13.225 2.328 2.571 1.00 0.00 O ATOM 0 H SER A 20 -11.746 1.288 5.976 1.00 0.00 H new ATOM 0 HA SER A 20 -14.174 0.808 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.065 2.953 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.616 2.234 3.852 1.00 0.00 H new ATOM 0 HG SER A 20 -12.954 3.203 2.224 1.00 0.00 H new ATOM 306 N GLU A 21 -11.640 -0.871 3.480 1.00 0.00 N ATOM 307 CA GLU A 21 -11.266 -1.933 2.555 1.00 0.00 C ATOM 308 C GLU A 21 -12.084 -3.194 2.812 1.00 0.00 C ATOM 309 O GLU A 21 -11.590 -4.161 3.392 1.00 0.00 O ATOM 310 CB GLU A 21 -9.773 -2.248 2.676 1.00 0.00 C ATOM 311 CG GLU A 21 -9.345 -2.633 4.083 1.00 0.00 C ATOM 312 CD GLU A 21 -8.566 -3.933 4.122 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.008 -4.323 3.075 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.513 -4.562 5.200 1.00 0.00 O ATOM 0 H GLU A 21 -10.911 -0.614 4.146 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.475 -1.585 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.525 -3.062 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.199 -1.378 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.733 -1.835 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.228 -2.724 4.715 1.00 0.00 H new ATOM 321 N GLU A 22 -13.338 -3.178 2.374 1.00 0.00 N ATOM 322 CA GLU A 22 -14.225 -4.321 2.553 1.00 0.00 C ATOM 323 C GLU A 22 -14.283 -5.165 1.285 1.00 0.00 C ATOM 324 O GLU A 22 -15.295 -5.804 0.997 1.00 0.00 O ATOM 325 CB GLU A 22 -15.630 -3.849 2.932 1.00 0.00 C ATOM 326 CG GLU A 22 -15.804 -3.585 4.419 1.00 0.00 C ATOM 327 CD GLU A 22 -17.130 -4.093 4.950 1.00 0.00 C ATOM 328 OE1 GLU A 22 -17.324 -5.325 4.982 1.00 0.00 O ATOM 329 OE2 GLU A 22 -17.974 -3.256 5.334 1.00 0.00 O ATOM 0 H GLU A 22 -13.763 -2.386 1.892 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.828 -4.936 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.859 -2.937 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.354 -4.601 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.991 -4.062 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.729 -2.514 4.605 1.00 0.00 H new ATOM 336 N ASP A 23 -13.189 -5.161 0.528 1.00 0.00 N ATOM 337 CA ASP A 23 -13.116 -5.924 -0.712 1.00 0.00 C ATOM 338 C ASP A 23 -12.164 -7.105 -0.568 1.00 0.00 C ATOM 339 O ASP A 23 -12.454 -8.212 -1.023 1.00 0.00 O ATOM 340 CB ASP A 23 -12.662 -5.026 -1.863 1.00 0.00 C ATOM 341 CG ASP A 23 -13.820 -4.303 -2.523 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.708 -4.985 -3.077 1.00 0.00 O ATOM 343 OD2 ASP A 23 -13.840 -3.054 -2.484 1.00 0.00 O ATOM 0 H ASP A 23 -12.342 -4.638 0.752 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.112 -6.308 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.946 -4.294 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.142 -5.629 -2.607 1.00 0.00 H new ATOM 348 N ARG A 24 -11.027 -6.861 0.071 1.00 0.00 N ATOM 349 CA ARG A 24 -10.027 -7.903 0.281 1.00 0.00 C ATOM 350 C ARG A 24 -8.816 -7.359 1.032 1.00 0.00 C ATOM 351 O ARG A 24 -8.682 -7.555 2.240 1.00 0.00 O ATOM 352 CB ARG A 24 -9.592 -8.504 -1.060 1.00 0.00 C ATOM 353 CG ARG A 24 -10.000 -9.958 -1.236 1.00 0.00 C ATOM 354 CD ARG A 24 -8.914 -10.763 -1.931 1.00 0.00 C ATOM 355 NE ARG A 24 -9.468 -11.851 -2.735 1.00 0.00 N ATOM 356 CZ ARG A 24 -10.063 -12.925 -2.220 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.183 -13.059 -0.905 1.00 0.00 N ATOM 358 NH2 ARG A 24 -10.539 -13.867 -3.022 1.00 0.00 N ATOM 0 H ARG A 24 -10.773 -5.950 0.454 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.480 -8.686 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.022 -7.914 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.508 -8.426 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.212 -10.398 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.921 -10.010 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.326 -10.103 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.234 -11.174 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.394 -11.783 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.818 -12.337 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.640 -13.884 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.449 -13.769 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.995 -14.690 -2.628 1.00 0.00 H new ATOM 372 N VAL A 25 -7.936 -6.681 0.307 1.00 0.00 N ATOM 373 CA VAL A 25 -6.731 -6.111 0.901 1.00 0.00 C ATOM 374 C VAL A 25 -6.675 -4.602 0.682 1.00 0.00 C ATOM 375 O VAL A 25 -7.634 -3.998 0.202 1.00 0.00 O ATOM 376 CB VAL A 25 -5.446 -6.752 0.325 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.408 -6.942 1.419 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.754 -8.080 -0.356 1.00 0.00 C ATOM 0 H VAL A 25 -8.033 -6.512 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.779 -6.324 1.969 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.039 -6.075 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.511 -7.394 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.156 -5.975 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.811 -7.594 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.833 -8.508 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.192 -8.767 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.458 -7.916 -1.172 1.00 0.00 H new ATOM 388 N VAL A 26 -5.543 -3.997 1.029 1.00 0.00 N ATOM 389 CA VAL A 26 -5.361 -2.573 0.868 1.00 0.00 C ATOM 390 C VAL A 26 -3.886 -2.190 0.947 1.00 0.00 C ATOM 391 O VAL A 26 -3.138 -2.723 1.766 1.00 0.00 O ATOM 392 CB VAL A 26 -6.161 -1.777 1.920 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.692 -2.116 3.327 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.057 -0.280 1.662 1.00 0.00 C ATOM 0 H VAL A 26 -4.738 -4.482 1.425 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.738 -2.317 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.209 -2.063 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.270 -1.543 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.833 -3.181 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.636 -1.868 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.629 0.260 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.012 0.026 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.455 -0.053 0.673 1.00 0.00 H new ATOM 404 N VAL A 27 -3.474 -1.265 0.087 1.00 0.00 N ATOM 405 CA VAL A 27 -2.088 -0.812 0.060 1.00 0.00 C ATOM 406 C VAL A 27 -1.986 0.652 0.484 1.00 0.00 C ATOM 407 O VAL A 27 -2.842 1.468 0.145 1.00 0.00 O ATOM 408 CB VAL A 27 -1.471 -0.984 -1.343 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.041 -0.464 -1.375 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.524 -2.443 -1.773 1.00 0.00 C ATOM 0 H VAL A 27 -4.079 -0.815 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.532 -1.429 0.766 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.058 -0.396 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.372 -0.597 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.033 0.595 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.564 -1.017 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.085 -2.546 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.964 -3.052 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.561 -2.777 -1.799 1.00 0.00 H new ATOM 420 N ILE A 28 -0.934 0.976 1.230 1.00 0.00 N ATOM 421 CA ILE A 28 -0.723 2.340 1.701 1.00 0.00 C ATOM 422 C ILE A 28 0.739 2.751 1.567 1.00 0.00 C ATOM 423 O ILE A 28 1.626 2.126 2.147 1.00 0.00 O ATOM 424 CB ILE A 28 -1.156 2.500 3.170 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.552 1.911 3.381 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.126 3.965 3.576 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.633 2.625 2.599 1.00 0.00 C ATOM 0 H ILE A 28 -0.215 0.313 1.521 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.337 2.987 1.075 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.454 1.955 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.541 0.860 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.797 1.949 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.435 4.060 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.114 4.354 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.807 4.532 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.596 2.154 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.671 3.671 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.411 2.565 1.533 1.00 0.00 H new ATOM 439 N ARG A 29 0.984 3.808 0.797 1.00 0.00 N ATOM 440 CA ARG A 29 2.340 4.303 0.588 1.00 0.00 C ATOM 441 C ARG A 29 2.504 5.705 1.167 1.00 0.00 C ATOM 442 O ARG A 29 2.138 6.694 0.533 1.00 0.00 O ATOM 443 CB ARG A 29 2.676 4.312 -0.904 1.00 0.00 C ATOM 444 CG ARG A 29 4.020 3.678 -1.228 1.00 0.00 C ATOM 445 CD ARG A 29 3.888 2.589 -2.281 1.00 0.00 C ATOM 446 NE ARG A 29 4.412 3.014 -3.576 1.00 0.00 N ATOM 447 CZ ARG A 29 5.700 2.969 -3.906 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.603 2.538 -3.035 1.00 0.00 N ATOM 449 NH2 ARG A 29 6.087 3.361 -5.112 1.00 0.00 N ATOM 0 H ARG A 29 0.262 4.337 0.308 1.00 0.00 H new ATOM 0 HA ARG A 29 3.028 3.634 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.893 3.783 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.673 5.341 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.709 4.445 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.452 3.256 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.420 1.698 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.839 2.313 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 29 3.751 3.366 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.312 2.238 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.589 2.506 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.398 3.696 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.074 3.327 -5.367 1.00 0.00 H new ATOM 463 N PHE A 30 3.047 5.782 2.377 1.00 0.00 N ATOM 464 CA PHE A 30 3.249 7.064 3.040 1.00 0.00 C ATOM 465 C PHE A 30 4.683 7.557 2.884 1.00 0.00 C ATOM 466 O PHE A 30 5.593 6.780 2.600 1.00 0.00 O ATOM 467 CB PHE A 30 2.891 6.951 4.518 1.00 0.00 C ATOM 468 CG PHE A 30 3.764 6.007 5.295 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.504 4.645 5.299 1.00 0.00 C ATOM 470 CD2 PHE A 30 4.836 6.481 6.033 1.00 0.00 C ATOM 471 CE1 PHE A 30 4.297 3.775 6.022 1.00 0.00 C ATOM 472 CE2 PHE A 30 5.635 5.616 6.757 1.00 0.00 C ATOM 473 CZ PHE A 30 5.364 4.261 6.753 1.00 0.00 C ATOM 0 H PHE A 30 3.354 4.973 2.917 1.00 0.00 H new ATOM 0 HA PHE A 30 2.593 7.793 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.952 7.940 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.855 6.624 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.671 4.259 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.050 7.539 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.083 2.716 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.470 5.999 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.985 3.583 7.320 1.00 0.00 H new ATOM 483 N GLY A 31 4.870 8.861 3.074 1.00 0.00 N ATOM 484 CA GLY A 31 6.191 9.449 2.952 1.00 0.00 C ATOM 485 C GLY A 31 6.197 10.678 2.064 1.00 0.00 C ATOM 486 O GLY A 31 6.820 11.688 2.394 1.00 0.00 O ATOM 0 H GLY A 31 4.129 9.520 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.559 9.718 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.880 8.708 2.546 1.00 0.00 H new ATOM 490 N HIS A 32 5.502 10.594 0.934 1.00 0.00 N ATOM 491 CA HIS A 32 5.428 11.707 -0.004 1.00 0.00 C ATOM 492 C HIS A 32 4.425 11.414 -1.115 1.00 0.00 C ATOM 493 O HIS A 32 4.624 10.505 -1.922 1.00 0.00 O ATOM 494 CB HIS A 32 6.807 11.989 -0.605 1.00 0.00 C ATOM 495 CG HIS A 32 7.575 13.044 0.129 1.00 0.00 C ATOM 496 ND1 HIS A 32 7.077 14.308 0.368 1.00 0.00 N ATOM 497 CD2 HIS A 32 8.812 13.019 0.679 1.00 0.00 C ATOM 498 CE1 HIS A 32 7.975 15.015 1.032 1.00 0.00 C ATOM 499 NE2 HIS A 32 9.035 14.255 1.233 1.00 0.00 N ATOM 0 H HIS A 32 4.982 9.765 0.646 1.00 0.00 H new ATOM 0 HA HIS A 32 5.092 12.589 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.387 11.066 -0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.686 12.296 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.496 12.183 0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.861 16.039 1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.884 14.540 1.722 1.00 0.00 H new ATOM 508 N ASP A 33 3.347 12.189 -1.150 1.00 0.00 N ATOM 509 CA ASP A 33 2.310 12.013 -2.161 1.00 0.00 C ATOM 510 C ASP A 33 2.835 12.369 -3.549 1.00 0.00 C ATOM 511 O ASP A 33 2.389 11.812 -4.553 1.00 0.00 O ATOM 512 CB ASP A 33 1.091 12.875 -1.827 1.00 0.00 C ATOM 513 CG ASP A 33 -0.046 12.675 -2.810 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.030 13.230 -3.926 1.00 0.00 O ATOM 515 OD2 ASP A 33 -1.013 11.964 -2.463 1.00 0.00 O ATOM 0 H ASP A 33 3.168 12.946 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 33 2.015 10.964 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.745 12.635 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.383 13.925 -1.822 1.00 0.00 H new ATOM 520 N TRP A 34 3.780 13.301 -3.599 1.00 0.00 N ATOM 521 CA TRP A 34 4.361 13.731 -4.866 1.00 0.00 C ATOM 522 C TRP A 34 5.767 13.165 -5.044 1.00 0.00 C ATOM 523 O TRP A 34 6.608 13.769 -5.709 1.00 0.00 O ATOM 524 CB TRP A 34 4.403 15.259 -4.936 1.00 0.00 C ATOM 525 CG TRP A 34 4.374 15.789 -6.337 1.00 0.00 C ATOM 526 CD1 TRP A 34 4.829 15.163 -7.461 1.00 0.00 C ATOM 527 CD2 TRP A 34 3.864 17.058 -6.763 1.00 0.00 C ATOM 528 NE1 TRP A 34 4.632 15.963 -8.560 1.00 0.00 N ATOM 529 CE2 TRP A 34 4.041 17.132 -8.158 1.00 0.00 C ATOM 530 CE3 TRP A 34 3.272 18.138 -6.101 1.00 0.00 C ATOM 531 CZ2 TRP A 34 3.649 18.243 -8.900 1.00 0.00 C ATOM 532 CZ3 TRP A 34 2.883 19.240 -6.839 1.00 0.00 C ATOM 533 CH2 TRP A 34 3.074 19.285 -8.227 1.00 0.00 C ATOM 0 H TRP A 34 4.160 13.773 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 34 3.733 13.351 -5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.555 15.665 -4.384 1.00 0.00 H new ATOM 0 HB3 TRP A 34 5.306 15.614 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.279 14.181 -7.483 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.885 15.726 -9.519 1.00 0.00 H new ATOM 0 HE3 TRP A 34 3.121 18.112 -5.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.794 18.280 -9.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 2.425 20.080 -6.338 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.761 20.161 -8.776 1.00 0.00 H new ATOM 544 N ASP A 35 6.015 12.002 -4.451 1.00 0.00 N ATOM 545 CA ASP A 35 7.319 11.359 -4.550 1.00 0.00 C ATOM 546 C ASP A 35 7.439 10.564 -5.849 1.00 0.00 C ATOM 547 O ASP A 35 6.454 10.014 -6.343 1.00 0.00 O ATOM 548 CB ASP A 35 7.551 10.439 -3.349 1.00 0.00 C ATOM 549 CG ASP A 35 8.853 10.741 -2.632 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.038 11.899 -2.201 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.687 9.820 -2.503 1.00 0.00 O ATOM 0 H ASP A 35 5.331 11.486 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 35 8.081 12.139 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.722 10.543 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.556 9.402 -3.685 1.00 0.00 H new ATOM 556 N PRO A 36 8.654 10.490 -6.420 1.00 0.00 N ATOM 557 CA PRO A 36 8.896 9.755 -7.666 1.00 0.00 C ATOM 558 C PRO A 36 8.632 8.262 -7.515 1.00 0.00 C ATOM 559 O PRO A 36 8.200 7.599 -8.458 1.00 0.00 O ATOM 560 CB PRO A 36 10.378 10.011 -7.959 1.00 0.00 C ATOM 561 CG PRO A 36 10.970 10.396 -6.648 1.00 0.00 C ATOM 562 CD PRO A 36 9.884 11.112 -5.899 1.00 0.00 C ATOM 0 HA PRO A 36 8.232 10.084 -8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.860 9.121 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.503 10.804 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.308 9.517 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.839 11.040 -6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.980 10.976 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.904 12.185 -6.088 1.00 0.00 H new ATOM 570 N THR A 37 8.894 7.738 -6.321 1.00 0.00 N ATOM 571 CA THR A 37 8.686 6.333 -6.043 1.00 0.00 C ATOM 572 C THR A 37 7.216 5.972 -6.206 1.00 0.00 C ATOM 573 O THR A 37 6.869 5.010 -6.891 1.00 0.00 O ATOM 574 CB THR A 37 9.159 5.995 -4.626 1.00 0.00 C ATOM 575 OG1 THR A 37 10.561 6.164 -4.512 1.00 0.00 O ATOM 576 CG2 THR A 37 8.833 4.578 -4.202 1.00 0.00 C ATOM 0 H THR A 37 9.253 8.274 -5.531 1.00 0.00 H new ATOM 0 HA THR A 37 9.270 5.749 -6.755 1.00 0.00 H new ATOM 0 HB THR A 37 8.621 6.683 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.910 5.552 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.197 4.409 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.754 4.429 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.314 3.875 -4.882 1.00 0.00 H new ATOM 584 N CYS A 38 6.359 6.758 -5.567 1.00 0.00 N ATOM 585 CA CYS A 38 4.919 6.533 -5.628 1.00 0.00 C ATOM 586 C CYS A 38 4.418 6.604 -7.066 1.00 0.00 C ATOM 587 O CYS A 38 3.460 5.924 -7.435 1.00 0.00 O ATOM 588 CB CYS A 38 4.185 7.564 -4.769 1.00 0.00 C ATOM 589 SG CYS A 38 4.027 7.096 -3.030 1.00 0.00 S ATOM 0 H CYS A 38 6.636 7.559 -4.999 1.00 0.00 H new ATOM 0 HA CYS A 38 4.715 5.535 -5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.713 8.516 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.190 7.724 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 38 4.218 8.141 -2.280 1.00 0.00 H new ATOM 595 N MET A 39 5.070 7.434 -7.875 1.00 0.00 N ATOM 596 CA MET A 39 4.690 7.595 -9.272 1.00 0.00 C ATOM 597 C MET A 39 4.927 6.309 -10.058 1.00 0.00 C ATOM 598 O MET A 39 4.172 5.981 -10.973 1.00 0.00 O ATOM 599 CB MET A 39 5.477 8.743 -9.906 1.00 0.00 C ATOM 600 CG MET A 39 5.213 10.092 -9.259 1.00 0.00 C ATOM 601 SD MET A 39 5.214 11.446 -10.450 1.00 0.00 S ATOM 602 CE MET A 39 6.845 11.264 -11.168 1.00 0.00 C ATOM 0 H MET A 39 5.864 8.005 -7.586 1.00 0.00 H new ATOM 0 HA MET A 39 3.625 7.827 -9.306 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.542 8.521 -9.842 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.227 8.802 -10.965 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.251 10.063 -8.748 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.972 10.281 -8.499 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.045 12.103 -11.834 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.592 11.244 -10.374 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.892 10.333 -11.733 1.00 0.00 H new ATOM 612 N LYS A 40 5.981 5.584 -9.697 1.00 0.00 N ATOM 613 CA LYS A 40 6.318 4.336 -10.373 1.00 0.00 C ATOM 614 C LYS A 40 5.299 3.245 -10.055 1.00 0.00 C ATOM 615 O LYS A 40 4.827 2.545 -10.950 1.00 0.00 O ATOM 616 CB LYS A 40 7.720 3.875 -9.970 1.00 0.00 C ATOM 617 CG LYS A 40 8.821 4.419 -10.866 1.00 0.00 C ATOM 618 CD LYS A 40 9.246 5.815 -10.440 1.00 0.00 C ATOM 619 CE LYS A 40 10.581 6.202 -11.056 1.00 0.00 C ATOM 620 NZ LYS A 40 10.620 5.921 -12.517 1.00 0.00 N ATOM 0 H LYS A 40 6.616 5.839 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 40 6.298 4.520 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.913 4.184 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.754 2.786 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.681 3.750 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.473 4.443 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.484 6.535 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.319 5.859 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.766 7.263 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.382 5.655 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.436 6.406 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.708 4.896 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.744 6.264 -12.960 1.00 0.00 H new ATOM 634 N MET A 41 4.963 3.104 -8.779 1.00 0.00 N ATOM 635 CA MET A 41 3.997 2.095 -8.358 1.00 0.00 C ATOM 636 C MET A 41 2.594 2.476 -8.815 1.00 0.00 C ATOM 637 O MET A 41 1.784 1.614 -9.152 1.00 0.00 O ATOM 638 CB MET A 41 4.021 1.926 -6.838 1.00 0.00 C ATOM 639 CG MET A 41 3.203 0.743 -6.348 1.00 0.00 C ATOM 640 SD MET A 41 2.465 1.027 -4.728 1.00 0.00 S ATOM 641 CE MET A 41 1.924 -0.628 -4.308 1.00 0.00 C ATOM 0 H MET A 41 5.342 3.671 -8.021 1.00 0.00 H new ATOM 0 HA MET A 41 4.274 1.147 -8.820 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.053 1.805 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.643 2.837 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.414 0.529 -7.069 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.841 -0.140 -6.302 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.836 -0.678 -4.353 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.349 -1.340 -5.015 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.257 -0.875 -3.300 1.00 0.00 H new ATOM 651 N ASP A 42 2.316 3.773 -8.824 1.00 0.00 N ATOM 652 CA ASP A 42 1.011 4.274 -9.240 1.00 0.00 C ATOM 653 C ASP A 42 0.839 4.164 -10.754 1.00 0.00 C ATOM 654 O ASP A 42 -0.188 3.682 -11.239 1.00 0.00 O ATOM 655 CB ASP A 42 0.837 5.729 -8.802 1.00 0.00 C ATOM 656 CG ASP A 42 0.722 5.871 -7.297 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.102 4.921 -6.580 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.250 6.931 -6.836 1.00 0.00 O ATOM 0 H ASP A 42 2.977 4.499 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 42 0.247 3.662 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.685 6.316 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.055 6.143 -9.272 1.00 0.00 H new ATOM 663 N GLU A 43 1.852 4.609 -11.495 1.00 0.00 N ATOM 664 CA GLU A 43 1.813 4.558 -12.953 1.00 0.00 C ATOM 665 C GLU A 43 1.529 3.139 -13.430 1.00 0.00 C ATOM 666 O GLU A 43 0.862 2.932 -14.444 1.00 0.00 O ATOM 667 CB GLU A 43 3.133 5.068 -13.544 1.00 0.00 C ATOM 668 CG GLU A 43 4.303 4.111 -13.371 1.00 0.00 C ATOM 669 CD GLU A 43 5.469 4.449 -14.279 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.760 5.652 -14.449 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.092 3.511 -14.820 1.00 0.00 O ATOM 0 H GLU A 43 2.708 5.008 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 43 1.007 5.206 -13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.991 5.263 -14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.384 6.020 -13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.636 4.134 -12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.970 3.094 -13.577 1.00 0.00 H new ATOM 678 N VAL A 44 2.040 2.167 -12.685 1.00 0.00 N ATOM 679 CA VAL A 44 1.843 0.765 -13.017 1.00 0.00 C ATOM 680 C VAL A 44 0.553 0.235 -12.398 1.00 0.00 C ATOM 681 O VAL A 44 -0.166 -0.551 -13.014 1.00 0.00 O ATOM 682 CB VAL A 44 3.027 -0.096 -12.536 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.143 -0.054 -11.020 1.00 0.00 C ATOM 684 CG2 VAL A 44 2.885 -1.528 -13.032 1.00 0.00 C ATOM 0 H VAL A 44 2.595 2.326 -11.845 1.00 0.00 H new ATOM 0 HA VAL A 44 1.776 0.698 -14.103 1.00 0.00 H new ATOM 0 HB VAL A 44 3.944 0.318 -12.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.985 -0.669 -10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.302 0.974 -10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.225 -0.438 -10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.731 -2.120 -12.682 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.959 -1.956 -12.648 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.864 -1.535 -14.122 1.00 0.00 H new ATOM 694 N LEU A 45 0.267 0.677 -11.175 1.00 0.00 N ATOM 695 CA LEU A 45 -0.936 0.255 -10.459 1.00 0.00 C ATOM 696 C LEU A 45 -2.165 0.319 -11.360 1.00 0.00 C ATOM 697 O LEU A 45 -3.114 -0.442 -11.184 1.00 0.00 O ATOM 698 CB LEU A 45 -1.152 1.132 -9.223 1.00 0.00 C ATOM 699 CG LEU A 45 -0.576 0.573 -7.922 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.528 1.653 -6.853 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.395 -0.616 -7.445 1.00 0.00 C ATOM 0 H LEU A 45 0.855 1.330 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.794 -0.779 -10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.707 2.110 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.223 1.289 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 45 0.442 0.234 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.115 1.237 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.102 2.475 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.536 2.022 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.971 -1.001 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.424 -0.302 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.378 -1.398 -8.204 1.00 0.00 H new ATOM 713 N TYR A 46 -2.143 1.233 -12.322 1.00 0.00 N ATOM 714 CA TYR A 46 -3.261 1.384 -13.244 1.00 0.00 C ATOM 715 C TYR A 46 -3.316 0.220 -14.228 1.00 0.00 C ATOM 716 O TYR A 46 -4.393 -0.268 -14.569 1.00 0.00 O ATOM 717 CB TYR A 46 -3.149 2.707 -14.002 1.00 0.00 C ATOM 718 CG TYR A 46 -4.478 3.246 -14.481 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.338 3.901 -13.610 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.873 3.098 -15.805 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.554 4.395 -14.043 1.00 0.00 C ATOM 722 CE2 TYR A 46 -6.086 3.589 -16.247 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.923 4.237 -15.363 1.00 0.00 C ATOM 724 OH TYR A 46 -8.133 4.727 -15.798 1.00 0.00 O ATOM 0 H TYR A 46 -1.369 1.877 -12.483 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.183 1.386 -12.662 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.678 3.448 -13.355 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.492 2.569 -14.861 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.052 4.027 -12.576 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.221 2.591 -16.500 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.212 4.902 -13.352 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.378 3.466 -17.280 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.240 4.534 -16.753 1.00 0.00 H new ATOM 734 N SER A 47 -2.148 -0.209 -14.688 1.00 0.00 N ATOM 735 CA SER A 47 -2.055 -1.308 -15.644 1.00 0.00 C ATOM 736 C SER A 47 -1.923 -2.667 -14.954 1.00 0.00 C ATOM 737 O SER A 47 -1.669 -3.675 -15.613 1.00 0.00 O ATOM 738 CB SER A 47 -0.868 -1.088 -16.582 1.00 0.00 C ATOM 739 OG SER A 47 -1.052 0.070 -17.377 1.00 0.00 O ATOM 0 H SER A 47 -1.249 0.188 -14.415 1.00 0.00 H new ATOM 0 HA SER A 47 -2.983 -1.318 -16.216 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.047 -0.990 -15.998 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.744 -1.959 -17.226 1.00 0.00 H new ATOM 0 HG SER A 47 -0.278 0.189 -17.966 1.00 0.00 H new ATOM 745 N ILE A 48 -2.087 -2.702 -13.633 1.00 0.00 N ATOM 746 CA ILE A 48 -1.971 -3.960 -12.895 1.00 0.00 C ATOM 747 C ILE A 48 -3.013 -4.076 -11.784 1.00 0.00 C ATOM 748 O ILE A 48 -3.572 -5.150 -11.560 1.00 0.00 O ATOM 749 CB ILE A 48 -0.565 -4.132 -12.285 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.122 -2.849 -11.576 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.437 -4.524 -13.362 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.224 -3.052 -10.118 1.00 0.00 C ATOM 0 H ILE A 48 -2.298 -1.887 -13.057 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.148 -4.752 -13.623 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.606 -4.932 -11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.746 -2.439 -12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.918 -2.108 -11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.424 -4.641 -12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.131 -5.465 -13.818 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.474 -3.746 -14.125 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.529 -2.101 -9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.648 -3.433 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.041 -3.769 -10.034 1.00 0.00 H new ATOM 764 N ALA A 49 -3.268 -2.976 -11.085 1.00 0.00 N ATOM 765 CA ALA A 49 -4.237 -2.973 -9.995 1.00 0.00 C ATOM 766 C ALA A 49 -5.662 -2.817 -10.515 1.00 0.00 C ATOM 767 O ALA A 49 -6.615 -3.271 -9.883 1.00 0.00 O ATOM 768 CB ALA A 49 -3.910 -1.866 -9.003 1.00 0.00 C ATOM 0 H ALA A 49 -2.818 -2.076 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.173 -3.935 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.641 -1.875 -8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.913 -2.028 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.942 -0.902 -9.510 1.00 0.00 H new ATOM 774 N GLU A 50 -5.804 -2.168 -11.667 1.00 0.00 N ATOM 775 CA GLU A 50 -7.114 -1.946 -12.269 1.00 0.00 C ATOM 776 C GLU A 50 -7.947 -3.227 -12.293 1.00 0.00 C ATOM 777 O GLU A 50 -9.178 -3.178 -12.278 1.00 0.00 O ATOM 778 CB GLU A 50 -6.957 -1.402 -13.690 1.00 0.00 C ATOM 779 CG GLU A 50 -6.987 0.116 -13.767 1.00 0.00 C ATOM 780 CD GLU A 50 -7.064 0.625 -15.192 1.00 0.00 C ATOM 781 OE1 GLU A 50 -6.381 0.051 -16.067 1.00 0.00 O ATOM 782 OE2 GLU A 50 -7.807 1.600 -15.435 1.00 0.00 O ATOM 0 H GLU A 50 -5.025 -1.786 -12.203 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.639 -1.214 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.015 -1.760 -14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.754 -1.805 -14.315 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.844 0.488 -13.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.094 0.518 -13.289 1.00 0.00 H new ATOM 789 N LYS A 51 -7.272 -4.372 -12.336 1.00 0.00 N ATOM 790 CA LYS A 51 -7.955 -5.661 -12.370 1.00 0.00 C ATOM 791 C LYS A 51 -8.310 -6.142 -10.965 1.00 0.00 C ATOM 792 O LYS A 51 -9.334 -6.795 -10.765 1.00 0.00 O ATOM 793 CB LYS A 51 -7.083 -6.702 -13.073 1.00 0.00 C ATOM 794 CG LYS A 51 -5.704 -6.859 -12.453 1.00 0.00 C ATOM 795 CD LYS A 51 -5.171 -8.272 -12.630 1.00 0.00 C ATOM 796 CE LYS A 51 -3.667 -8.329 -12.419 1.00 0.00 C ATOM 797 NZ LYS A 51 -3.089 -9.620 -12.887 1.00 0.00 N ATOM 0 H LYS A 51 -6.254 -4.433 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.883 -5.532 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.593 -7.665 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.972 -6.423 -14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.015 -6.149 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.752 -6.617 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.664 -8.940 -11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.413 -8.631 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.194 -7.505 -12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.443 -8.193 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.062 -9.619 -12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.522 -10.405 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.280 -9.738 -13.903 1.00 0.00 H new ATOM 811 N VAL A 52 -7.460 -5.821 -9.995 1.00 0.00 N ATOM 812 CA VAL A 52 -7.689 -6.230 -8.613 1.00 0.00 C ATOM 813 C VAL A 52 -8.356 -5.125 -7.794 1.00 0.00 C ATOM 814 O VAL A 52 -8.642 -5.309 -6.612 1.00 0.00 O ATOM 815 CB VAL A 52 -6.375 -6.639 -7.923 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.807 -7.899 -8.557 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.365 -5.502 -7.981 1.00 0.00 C ATOM 0 H VAL A 52 -6.608 -5.280 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.358 -7.089 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.588 -6.853 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.878 -8.172 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.526 -8.712 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.609 -7.717 -9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.443 -5.809 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.156 -5.254 -9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.773 -4.627 -7.475 1.00 0.00 H new ATOM 827 N LYS A 53 -8.597 -3.976 -8.423 1.00 0.00 N ATOM 828 CA LYS A 53 -9.224 -2.849 -7.748 1.00 0.00 C ATOM 829 C LYS A 53 -10.491 -3.275 -7.008 1.00 0.00 C ATOM 830 O LYS A 53 -10.880 -2.658 -6.016 1.00 0.00 O ATOM 831 CB LYS A 53 -9.557 -1.747 -8.756 1.00 0.00 C ATOM 832 CG LYS A 53 -9.400 -0.342 -8.196 1.00 0.00 C ATOM 833 CD LYS A 53 -9.144 0.672 -9.300 1.00 0.00 C ATOM 834 CE LYS A 53 -8.125 1.715 -8.873 1.00 0.00 C ATOM 835 NZ LYS A 53 -8.206 2.945 -9.708 1.00 0.00 N ATOM 0 H LYS A 53 -8.366 -3.804 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.515 -2.466 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.911 -1.856 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.583 -1.879 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.300 -0.065 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.575 -0.323 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.787 0.158 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.079 1.164 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.288 1.975 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.122 1.293 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.495 3.632 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.025 2.702 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.155 3.362 -9.620 1.00 0.00 H new ATOM 849 N ASN A 54 -11.130 -4.332 -7.498 1.00 0.00 N ATOM 850 CA ASN A 54 -12.354 -4.837 -6.886 1.00 0.00 C ATOM 851 C ASN A 54 -12.059 -5.579 -5.584 1.00 0.00 C ATOM 852 O ASN A 54 -12.921 -5.685 -4.713 1.00 0.00 O ATOM 853 CB ASN A 54 -13.088 -5.764 -7.857 1.00 0.00 C ATOM 854 CG ASN A 54 -14.511 -6.051 -7.420 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.660 -6.912 -6.420 1.00 0.00 O flip ATOM 856 ND2 ASN A 54 -15.465 -5.504 -7.972 1.00 0.00 N flip ATOM 0 H ASN A 54 -10.821 -4.856 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.988 -3.981 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.100 -5.311 -8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.541 -6.703 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.304 -4.849 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.416 -5.706 -7.665 1.00 0.00 H new ATOM 863 N PHE A 55 -10.839 -6.094 -5.459 1.00 0.00 N ATOM 864 CA PHE A 55 -10.442 -6.828 -4.261 1.00 0.00 C ATOM 865 C PHE A 55 -9.536 -5.984 -3.374 1.00 0.00 C ATOM 866 O PHE A 55 -9.848 -5.725 -2.212 1.00 0.00 O ATOM 867 CB PHE A 55 -9.735 -8.128 -4.647 1.00 0.00 C ATOM 868 CG PHE A 55 -10.601 -9.070 -5.434 1.00 0.00 C ATOM 869 CD1 PHE A 55 -10.861 -8.838 -6.775 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.157 -10.188 -4.831 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.658 -9.702 -7.500 1.00 0.00 C ATOM 872 CE2 PHE A 55 -11.955 -11.056 -5.552 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.206 -10.813 -6.888 1.00 0.00 C ATOM 0 H PHE A 55 -10.111 -6.017 -6.169 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.344 -7.066 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.847 -7.889 -5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.395 -8.630 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.435 -7.971 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.964 -10.383 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.853 -9.509 -8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.382 -11.924 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.829 -11.490 -7.453 1.00 0.00 H new ATOM 883 N ALA A 56 -8.415 -5.562 -3.934 1.00 0.00 N ATOM 884 CA ALA A 56 -7.452 -4.745 -3.205 1.00 0.00 C ATOM 885 C ALA A 56 -7.605 -3.271 -3.562 1.00 0.00 C ATOM 886 O ALA A 56 -8.082 -2.932 -4.645 1.00 0.00 O ATOM 887 CB ALA A 56 -6.035 -5.216 -3.492 1.00 0.00 C ATOM 0 H ALA A 56 -8.146 -5.771 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.650 -4.857 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.327 -4.597 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.927 -6.255 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.834 -5.134 -4.560 1.00 0.00 H new ATOM 893 N VAL A 57 -7.197 -2.396 -2.647 1.00 0.00 N ATOM 894 CA VAL A 57 -7.292 -0.960 -2.873 1.00 0.00 C ATOM 895 C VAL A 57 -6.107 -0.229 -2.254 1.00 0.00 C ATOM 896 O VAL A 57 -5.862 -0.327 -1.053 1.00 0.00 O ATOM 897 CB VAL A 57 -8.595 -0.381 -2.294 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.773 -0.708 -3.199 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.835 -0.903 -0.885 1.00 0.00 C ATOM 0 H VAL A 57 -6.799 -2.657 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.288 -0.811 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.496 0.703 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.686 -0.291 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.604 -0.278 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.875 -1.790 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.761 -0.482 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.912 -1.990 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.004 -0.612 -0.243 1.00 0.00 H new ATOM 909 N ILE A 58 -5.374 0.506 -3.083 1.00 0.00 N ATOM 910 CA ILE A 58 -4.215 1.253 -2.615 1.00 0.00 C ATOM 911 C ILE A 58 -4.578 2.707 -2.330 1.00 0.00 C ATOM 912 O ILE A 58 -5.585 3.212 -2.828 1.00 0.00 O ATOM 913 CB ILE A 58 -3.064 1.206 -3.640 1.00 0.00 C ATOM 914 CG1 ILE A 58 -1.808 1.852 -3.054 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.472 1.891 -4.938 1.00 0.00 C ATOM 916 CD1 ILE A 58 -0.540 1.494 -3.799 1.00 0.00 C ATOM 0 H ILE A 58 -5.562 0.600 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.883 0.780 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.841 0.163 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.930 2.935 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.706 1.549 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.646 1.847 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.340 1.384 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.722 2.933 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.310 1.987 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.394 0.414 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.622 1.822 -4.835 1.00 0.00 H new ATOM 928 N TYR A 59 -3.749 3.377 -1.535 1.00 0.00 N ATOM 929 CA TYR A 59 -3.972 4.764 -1.190 1.00 0.00 C ATOM 930 C TYR A 59 -2.694 5.408 -0.659 1.00 0.00 C ATOM 931 O TYR A 59 -2.086 4.913 0.289 1.00 0.00 O ATOM 932 CB TYR A 59 -5.090 4.894 -0.153 1.00 0.00 C ATOM 933 CG TYR A 59 -6.465 4.560 -0.688 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.195 5.494 -1.412 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.032 3.311 -0.467 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.452 5.193 -1.901 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.289 3.002 -0.954 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.994 3.946 -1.670 1.00 0.00 C ATOM 939 OH TYR A 59 -10.245 3.642 -2.156 1.00 0.00 O ATOM 0 H TYR A 59 -2.911 2.971 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.273 5.286 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.869 4.238 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.099 5.914 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.773 6.471 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.482 2.570 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.007 5.931 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.716 2.026 -0.774 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.478 2.723 -1.907 1.00 0.00 H new ATOM 949 N LEU A 60 -2.297 6.516 -1.274 1.00 0.00 N ATOM 950 CA LEU A 60 -1.093 7.230 -0.860 1.00 0.00 C ATOM 951 C LEU A 60 -1.345 8.004 0.430 1.00 0.00 C ATOM 952 O LEU A 60 -2.492 8.227 0.815 1.00 0.00 O ATOM 953 CB LEU A 60 -0.634 8.185 -1.964 1.00 0.00 C ATOM 954 CG LEU A 60 -0.142 7.509 -3.244 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.915 6.463 -2.926 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.306 6.880 -3.996 1.00 0.00 C ATOM 0 H LEU A 60 -2.790 6.940 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.306 6.498 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.462 8.848 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.167 8.811 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 60 0.310 8.269 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.252 5.994 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.761 6.940 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.490 5.705 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.937 6.403 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.787 6.133 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.029 7.652 -4.259 1.00 0.00 H new ATOM 968 N VAL A 61 -0.267 8.411 1.093 1.00 0.00 N ATOM 969 CA VAL A 61 -0.379 9.158 2.340 1.00 0.00 C ATOM 970 C VAL A 61 0.753 10.169 2.484 1.00 0.00 C ATOM 971 O VAL A 61 1.908 9.872 2.179 1.00 0.00 O ATOM 972 CB VAL A 61 -0.367 8.219 3.560 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.693 8.988 4.831 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.344 7.069 3.358 1.00 0.00 C ATOM 0 H VAL A 61 0.691 8.237 0.789 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.331 9.687 2.304 1.00 0.00 H new ATOM 0 HB VAL A 61 0.635 7.801 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.680 8.307 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.049 9.772 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.682 9.437 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.322 6.416 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.351 7.466 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.060 6.501 2.472 1.00 0.00 H new ATOM 984 N ASP A 62 0.414 11.366 2.953 1.00 0.00 N ATOM 985 CA ASP A 62 1.401 12.422 3.141 1.00 0.00 C ATOM 986 C ASP A 62 1.843 12.497 4.599 1.00 0.00 C ATOM 987 O ASP A 62 1.111 12.994 5.454 1.00 0.00 O ATOM 988 CB ASP A 62 0.828 13.770 2.700 1.00 0.00 C ATOM 989 CG ASP A 62 0.163 13.698 1.339 1.00 0.00 C ATOM 990 OD1 ASP A 62 -0.745 12.858 1.165 1.00 0.00 O ATOM 991 OD2 ASP A 62 0.549 14.483 0.447 1.00 0.00 O ATOM 0 H ASP A 62 -0.538 11.628 3.210 1.00 0.00 H new ATOM 0 HA ASP A 62 2.270 12.187 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.103 14.112 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.628 14.510 2.672 1.00 0.00 H new ATOM 996 N ILE A 63 3.044 12.000 4.874 1.00 0.00 N ATOM 997 CA ILE A 63 3.583 12.009 6.229 1.00 0.00 C ATOM 998 C ILE A 63 3.882 13.432 6.693 1.00 0.00 C ATOM 999 O ILE A 63 3.864 13.721 7.890 1.00 0.00 O ATOM 1000 CB ILE A 63 4.868 11.162 6.326 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.385 11.128 7.768 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.934 11.706 5.387 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.778 9.745 8.236 1.00 0.00 C ATOM 0 H ILE A 63 3.663 11.586 4.177 1.00 0.00 H new ATOM 0 HA ILE A 63 2.822 11.574 6.877 1.00 0.00 H new ATOM 0 HB ILE A 63 4.632 10.141 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.247 11.790 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.615 11.522 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.835 11.097 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.566 11.675 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.167 12.736 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.134 9.797 9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.913 9.084 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.570 9.356 7.597 1.00 0.00 H new ATOM 1015 N THR A 64 4.159 14.318 5.741 1.00 0.00 N ATOM 1016 CA THR A 64 4.463 15.708 6.056 1.00 0.00 C ATOM 1017 C THR A 64 3.185 16.536 6.162 1.00 0.00 C ATOM 1018 O THR A 64 3.112 17.484 6.944 1.00 0.00 O ATOM 1019 CB THR A 64 5.383 16.305 4.992 1.00 0.00 C ATOM 1020 OG1 THR A 64 6.467 15.434 4.719 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.962 17.648 5.383 1.00 0.00 C ATOM 0 H THR A 64 4.179 14.097 4.745 1.00 0.00 H new ATOM 0 HA THR A 64 4.971 15.732 7.020 1.00 0.00 H new ATOM 0 HB THR A 64 4.754 16.441 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.043 15.833 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.605 18.014 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.152 18.358 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.546 17.540 6.297 1.00 0.00 H new ATOM 1029 N GLU A 65 2.183 16.172 5.369 1.00 0.00 N ATOM 1030 CA GLU A 65 0.910 16.883 5.373 1.00 0.00 C ATOM 1031 C GLU A 65 0.009 16.384 6.499 1.00 0.00 C ATOM 1032 O GLU A 65 -0.782 17.143 7.057 1.00 0.00 O ATOM 1033 CB GLU A 65 0.204 16.713 4.027 1.00 0.00 C ATOM 1034 CG GLU A 65 -0.555 17.952 3.578 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.466 18.179 2.082 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.977 17.331 1.320 1.00 0.00 O ATOM 1037 OE2 GLU A 65 0.116 19.206 1.671 1.00 0.00 O ATOM 0 H GLU A 65 2.228 15.390 4.716 1.00 0.00 H new ATOM 0 HA GLU A 65 1.115 17.941 5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.943 16.455 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.491 15.876 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.602 17.856 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.160 18.824 4.098 1.00 0.00 H new ATOM 1044 N VAL A 66 0.135 15.101 6.826 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.668 14.501 7.884 1.00 0.00 C ATOM 1046 C VAL A 66 0.033 14.616 9.237 1.00 0.00 C ATOM 1047 O VAL A 66 1.237 14.380 9.342 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.958 13.015 7.593 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.904 12.438 8.634 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.527 12.846 6.192 1.00 0.00 C ATOM 0 H VAL A 66 0.785 14.458 6.373 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.610 15.048 7.918 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.019 12.465 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.095 11.389 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.452 12.521 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.844 12.990 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.725 11.791 6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.455 13.411 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.808 13.216 5.460 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.712 14.981 10.297 1.00 0.00 N ATOM 1061 CA PRO A 67 -0.149 15.124 11.644 1.00 0.00 C ATOM 1062 C PRO A 67 0.178 13.777 12.281 1.00 0.00 C ATOM 1063 O PRO A 67 -0.379 13.416 13.317 1.00 0.00 O ATOM 1064 CB PRO A 67 -1.265 15.827 12.419 1.00 0.00 C ATOM 1065 CG PRO A 67 -2.518 15.425 11.722 1.00 0.00 C ATOM 1066 CD PRO A 67 -2.157 15.283 10.268 1.00 0.00 C ATOM 0 HA PRO A 67 0.794 15.671 11.638 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.277 15.519 13.464 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.135 16.909 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.903 14.487 12.122 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.298 16.174 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.724 14.484 9.790 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.364 16.197 9.712 1.00 0.00 H new ATOM 1235 N ASP A 77 11.990 11.710 4.796 1.00 0.00 N ATOM 1236 CA ASP A 77 11.960 10.372 4.219 1.00 0.00 C ATOM 1237 C ASP A 77 11.365 10.402 2.811 1.00 0.00 C ATOM 1238 O ASP A 77 10.302 10.985 2.594 1.00 0.00 O ATOM 1239 CB ASP A 77 11.146 9.429 5.108 1.00 0.00 C ATOM 1240 CG ASP A 77 11.279 7.979 4.686 1.00 0.00 C ATOM 1241 OD1 ASP A 77 11.135 7.696 3.478 1.00 0.00 O ATOM 1242 OD2 ASP A 77 11.527 7.126 5.564 1.00 0.00 O ATOM 0 HA ASP A 77 12.985 10.006 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.474 9.535 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.096 9.719 5.075 1.00 0.00 H new ATOM 1247 N PRO A 78 12.038 9.773 1.830 1.00 0.00 N ATOM 1248 CA PRO A 78 11.557 9.739 0.445 1.00 0.00 C ATOM 1249 C PRO A 78 10.135 9.199 0.344 1.00 0.00 C ATOM 1250 O PRO A 78 9.217 9.911 -0.058 1.00 0.00 O ATOM 1251 CB PRO A 78 12.540 8.797 -0.257 1.00 0.00 C ATOM 1252 CG PRO A 78 13.774 8.844 0.575 1.00 0.00 C ATOM 1253 CD PRO A 78 13.313 9.049 1.990 1.00 0.00 C ATOM 0 HA PRO A 78 11.518 10.735 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.142 7.784 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.739 9.123 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.344 7.919 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.428 9.655 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.175 8.101 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.034 9.627 2.568 1.00 0.00 H new ATOM 1261 N CYS A 79 9.961 7.934 0.715 1.00 0.00 N ATOM 1262 CA CYS A 79 8.651 7.293 0.669 1.00 0.00 C ATOM 1263 C CYS A 79 8.752 5.833 1.092 1.00 0.00 C ATOM 1264 O CYS A 79 9.814 5.222 0.983 1.00 0.00 O ATOM 1265 CB CYS A 79 8.058 7.388 -0.741 1.00 0.00 C ATOM 1266 SG CYS A 79 6.356 7.996 -0.784 1.00 0.00 S ATOM 0 H CYS A 79 10.712 7.332 1.051 1.00 0.00 H new ATOM 0 HA CYS A 79 7.993 7.814 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.684 8.047 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.093 6.403 -1.206 1.00 0.00 H new ATOM 0 HG CYS A 79 5.689 7.355 -1.698 1.00 0.00 H new ATOM 1272 N THR A 80 7.646 5.275 1.575 1.00 0.00 N ATOM 1273 CA THR A 80 7.630 3.883 2.007 1.00 0.00 C ATOM 1274 C THR A 80 6.250 3.268 1.814 1.00 0.00 C ATOM 1275 O THR A 80 5.238 3.970 1.836 1.00 0.00 O ATOM 1276 CB THR A 80 8.042 3.776 3.474 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.028 2.424 3.900 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.141 4.558 4.399 1.00 0.00 C ATOM 0 H THR A 80 6.755 5.762 1.676 1.00 0.00 H new ATOM 0 HA THR A 80 8.344 3.334 1.394 1.00 0.00 H new ATOM 0 HB THR A 80 9.047 4.195 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.978 2.390 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.486 4.442 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.165 5.613 4.125 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.120 4.185 4.314 1.00 0.00 H new ATOM 1286 N VAL A 81 6.214 1.955 1.618 1.00 0.00 N ATOM 1287 CA VAL A 81 4.960 1.250 1.416 1.00 0.00 C ATOM 1288 C VAL A 81 4.551 0.455 2.655 1.00 0.00 C ATOM 1289 O VAL A 81 5.368 0.193 3.537 1.00 0.00 O ATOM 1290 CB VAL A 81 5.054 0.302 0.204 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.877 -0.935 0.539 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.667 -0.087 -0.284 1.00 0.00 C ATOM 0 H VAL A 81 7.042 1.359 1.595 1.00 0.00 H new ATOM 0 HA VAL A 81 4.197 2.005 1.226 1.00 0.00 H new ATOM 0 HB VAL A 81 5.562 0.834 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.927 -1.586 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.885 -0.635 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.409 -1.471 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.757 -0.756 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.128 -0.593 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.121 0.809 -0.580 1.00 0.00 H new ATOM 1302 N MET A 82 3.278 0.072 2.706 1.00 0.00 N ATOM 1303 CA MET A 82 2.747 -0.696 3.825 1.00 0.00 C ATOM 1304 C MET A 82 1.354 -1.224 3.500 1.00 0.00 C ATOM 1305 O MET A 82 0.408 -0.452 3.340 1.00 0.00 O ATOM 1306 CB MET A 82 2.697 0.165 5.088 1.00 0.00 C ATOM 1307 CG MET A 82 3.973 0.110 5.912 1.00 0.00 C ATOM 1308 SD MET A 82 3.679 0.393 7.669 1.00 0.00 S ATOM 1309 CE MET A 82 5.258 1.069 8.172 1.00 0.00 C ATOM 0 H MET A 82 2.593 0.283 1.980 1.00 0.00 H new ATOM 0 HA MET A 82 3.410 -1.543 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.501 1.199 4.805 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.860 -0.160 5.707 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.445 -0.863 5.779 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.674 0.858 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.724 0.403 8.898 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.906 1.167 7.301 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.107 2.049 8.624 1.00 0.00 H new ATOM 1319 N PHE A 83 1.234 -2.544 3.399 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.043 -3.175 3.087 1.00 0.00 C ATOM 1321 C PHE A 83 -0.871 -3.393 4.350 1.00 0.00 C ATOM 1322 O PHE A 83 -0.326 -3.534 5.444 1.00 0.00 O ATOM 1323 CB PHE A 83 0.186 -4.512 2.379 1.00 0.00 C ATOM 1324 CG PHE A 83 0.527 -4.372 0.923 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.536 -3.514 0.514 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.161 -5.098 -0.036 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.852 -3.384 -0.825 1.00 0.00 C ATOM 1328 CE2 PHE A 83 0.152 -4.972 -1.376 1.00 0.00 C ATOM 1329 CZ PHE A 83 1.159 -4.113 -1.772 1.00 0.00 C ATOM 0 H PHE A 83 2.006 -3.198 3.529 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.595 -2.508 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.992 -5.047 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.711 -5.123 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.081 -2.941 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.951 -5.770 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.641 -2.713 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.390 -5.545 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.404 -4.012 -2.819 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.190 -3.419 4.189 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.093 -3.621 5.316 1.00 0.00 C ATOM 1341 C PHE A 84 -4.156 -4.662 4.977 1.00 0.00 C ATOM 1342 O PHE A 84 -4.753 -4.628 3.899 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.757 -2.300 5.708 1.00 0.00 C ATOM 1344 CG PHE A 84 -3.050 -1.581 6.822 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.845 -0.936 6.592 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.592 -1.548 8.096 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.193 -0.273 7.614 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.944 -0.886 9.122 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.744 -0.248 8.881 1.00 0.00 C ATOM 0 H PHE A 84 -2.657 -3.303 3.290 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.509 -3.987 6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.797 -1.649 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.787 -2.495 6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.411 -0.952 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.531 -2.045 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.254 0.225 7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.376 -0.868 10.112 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.237 0.270 9.681 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.386 -5.587 5.904 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.376 -6.638 5.706 1.00 0.00 C ATOM 1361 C PHE A 85 -6.017 -7.037 7.031 1.00 0.00 C ATOM 1362 O PHE A 85 -5.376 -6.993 8.081 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.727 -7.859 5.055 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.691 -8.978 4.779 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.896 -8.729 4.141 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.393 -10.276 5.160 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.786 -9.756 3.886 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.278 -11.308 4.907 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.476 -11.047 4.271 1.00 0.00 C ATOM 0 H PHE A 85 -3.900 -5.629 6.800 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.154 -6.252 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.259 -7.555 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.933 -8.227 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.143 -7.722 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.459 -10.484 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.721 -9.550 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.033 -12.316 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.170 -11.851 4.075 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.286 -7.427 6.973 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.020 -7.836 8.167 1.00 0.00 C ATOM 1381 C ARG A 86 -7.897 -6.793 9.274 1.00 0.00 C ATOM 1382 O ARG A 86 -7.939 -7.123 10.459 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.506 -9.188 8.667 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.453 -9.880 9.634 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.535 -10.653 8.898 1.00 0.00 C ATOM 1386 NE ARG A 86 -10.687 -10.930 9.751 1.00 0.00 N ATOM 1387 CZ ARG A 86 -11.540 -9.997 10.171 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -11.373 -8.729 9.819 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -12.562 -10.334 10.945 1.00 0.00 N ATOM 0 H ARG A 86 -7.829 -7.469 6.111 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.072 -7.928 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.333 -9.841 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.543 -9.043 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.889 -10.560 10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.914 -9.139 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.858 -10.083 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.122 -11.592 8.530 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.848 -11.894 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.588 -8.464 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.029 -8.019 10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.695 -11.307 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.215 -9.620 11.267 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.745 -5.533 8.879 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.615 -4.443 9.839 1.00 0.00 C ATOM 1405 C ASN A 87 -6.386 -4.639 10.722 1.00 0.00 C ATOM 1406 O ASN A 87 -6.368 -4.226 11.881 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.870 -4.345 10.707 1.00 0.00 C ATOM 1408 CG ASN A 87 -9.121 -2.936 11.205 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -10.069 -2.274 10.779 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.272 -2.468 12.112 1.00 0.00 N ATOM 0 H ASN A 87 -7.709 -5.242 7.902 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.495 -3.514 9.281 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.733 -4.683 10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.772 -5.017 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.391 -1.526 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.500 -3.051 12.437 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.358 -5.274 10.164 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.124 -5.526 10.899 1.00 0.00 C ATOM 1419 C LYS A 88 -2.956 -4.769 10.276 1.00 0.00 C ATOM 1420 O LYS A 88 -3.148 -3.911 9.414 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.822 -7.025 10.929 1.00 0.00 C ATOM 1422 CG LYS A 88 -3.254 -7.505 12.254 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.332 -8.120 13.133 1.00 0.00 C ATOM 1424 CE LYS A 88 -3.941 -8.082 14.601 1.00 0.00 C ATOM 1425 NZ LYS A 88 -5.117 -8.280 15.493 1.00 0.00 N ATOM 0 H LYS A 88 -5.356 -5.623 9.206 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.258 -5.170 11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.738 -7.576 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.115 -7.261 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.470 -8.240 12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.790 -6.668 12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.270 -7.582 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.507 -9.152 12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.200 -8.856 14.800 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.471 -7.125 14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.809 -8.247 16.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.813 -7.527 15.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.551 -9.204 15.295 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.744 -5.093 10.716 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.545 -4.443 10.199 1.00 0.00 C ATOM 1441 C HIS A 89 0.275 -5.408 9.348 1.00 0.00 C ATOM 1442 O HIS A 89 0.679 -6.473 9.814 1.00 0.00 O ATOM 1443 CB HIS A 89 0.309 -3.912 11.353 1.00 0.00 C ATOM 1444 CG HIS A 89 -0.093 -2.545 11.814 1.00 0.00 C ATOM 1445 ND1 HIS A 89 0.066 -1.332 11.233 1.00 0.00 N flip ATOM 1446 CD2 HIS A 89 -0.743 -2.314 13.008 1.00 0.00 C flip ATOM 1447 CE1 HIS A 89 -0.484 -0.401 12.079 1.00 0.00 C flip ATOM 1448 NE2 HIS A 89 -0.966 -1.018 13.141 1.00 0.00 N flip ATOM 0 H HIS A 89 -1.566 -5.801 11.429 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.857 -3.609 9.571 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.242 -4.604 12.192 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.353 -3.889 11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.026 -3.073 13.722 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.517 0.664 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.432 -0.571 13.931 1.00 0.00 H new ATOM 1457 N ILE A 90 0.516 -5.027 8.098 1.00 0.00 N ATOM 1458 CA ILE A 90 1.287 -5.856 7.181 1.00 0.00 C ATOM 1459 C ILE A 90 2.366 -5.039 6.477 1.00 0.00 C ATOM 1460 O ILE A 90 2.077 -4.011 5.864 1.00 0.00 O ATOM 1461 CB ILE A 90 0.384 -6.515 6.121 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.827 -7.171 6.787 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.172 -7.537 5.315 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.461 -8.275 7.755 1.00 0.00 C ATOM 0 H ILE A 90 0.188 -4.148 7.697 1.00 0.00 H new ATOM 0 HA ILE A 90 1.757 -6.636 7.780 1.00 0.00 H new ATOM 0 HB ILE A 90 0.026 -5.743 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.397 -6.408 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.480 -7.578 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.520 -7.994 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.004 -7.042 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.557 -8.308 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.369 -8.694 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.083 -9.057 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.167 -7.870 8.548 1.00 0.00 H new ATOM 1476 N MET A 91 3.607 -5.502 6.570 1.00 0.00 N ATOM 1477 CA MET A 91 4.728 -4.811 5.942 1.00 0.00 C ATOM 1478 C MET A 91 4.858 -5.203 4.474 1.00 0.00 C ATOM 1479 O MET A 91 4.428 -4.469 3.586 1.00 0.00 O ATOM 1480 CB MET A 91 6.029 -5.120 6.688 1.00 0.00 C ATOM 1481 CG MET A 91 6.276 -4.213 7.882 1.00 0.00 C ATOM 1482 SD MET A 91 5.730 -4.946 9.436 1.00 0.00 S ATOM 1483 CE MET A 91 7.039 -4.417 10.537 1.00 0.00 C ATOM 0 H MET A 91 3.863 -6.352 7.073 1.00 0.00 H new ATOM 0 HA MET A 91 4.537 -3.739 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.006 -6.156 7.028 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.866 -5.030 5.995 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.340 -3.985 7.946 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.756 -3.267 7.729 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.844 -4.793 11.541 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.993 -4.807 10.182 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.078 -3.328 10.559 1.00 0.00 H new ATOM 1493 N ILE A 92 5.458 -6.365 4.232 1.00 0.00 N ATOM 1494 CA ILE A 92 5.657 -6.873 2.876 1.00 0.00 C ATOM 1495 C ILE A 92 6.168 -5.780 1.936 1.00 0.00 C ATOM 1496 O ILE A 92 6.552 -4.698 2.378 1.00 0.00 O ATOM 1497 CB ILE A 92 4.359 -7.485 2.305 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.296 -6.405 2.084 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.831 -8.564 3.237 1.00 0.00 C ATOM 1500 CD1 ILE A 92 2.094 -6.892 1.306 1.00 0.00 C ATOM 0 H ILE A 92 5.818 -6.978 4.964 1.00 0.00 H new ATOM 0 HA ILE A 92 6.412 -7.656 2.943 1.00 0.00 H new ATOM 0 HB ILE A 92 4.590 -7.936 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.964 -6.029 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.747 -5.566 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.916 -8.987 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.578 -9.350 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.620 -8.129 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.382 -6.075 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.413 -7.241 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.619 -7.711 1.846 1.00 0.00 H new ATOM 1512 N ASP A 93 6.177 -6.072 0.638 1.00 0.00 N ATOM 1513 CA ASP A 93 6.645 -5.113 -0.355 1.00 0.00 C ATOM 1514 C ASP A 93 5.699 -5.060 -1.551 1.00 0.00 C ATOM 1515 O ASP A 93 4.787 -5.877 -1.671 1.00 0.00 O ATOM 1516 CB ASP A 93 8.054 -5.482 -0.823 1.00 0.00 C ATOM 1517 CG ASP A 93 9.084 -5.343 0.280 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.790 -4.666 1.287 1.00 0.00 O ATOM 1519 OD2 ASP A 93 10.188 -5.911 0.136 1.00 0.00 O ATOM 0 H ASP A 93 5.866 -6.963 0.251 1.00 0.00 H new ATOM 0 HA ASP A 93 6.668 -4.128 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.055 -6.508 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.334 -4.844 -1.661 1.00 0.00 H new ATOM 1524 N LEU A 94 5.925 -4.092 -2.435 1.00 0.00 N ATOM 1525 CA LEU A 94 5.095 -3.934 -3.624 1.00 0.00 C ATOM 1526 C LEU A 94 5.872 -4.305 -4.885 1.00 0.00 C ATOM 1527 O LEU A 94 5.289 -4.729 -5.882 1.00 0.00 O ATOM 1528 CB LEU A 94 4.581 -2.494 -3.728 1.00 0.00 C ATOM 1529 CG LEU A 94 5.636 -1.446 -4.095 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.859 -1.419 -5.600 1.00 0.00 C ATOM 1531 CD2 LEU A 94 5.220 -0.071 -3.593 1.00 0.00 C ATOM 0 H LEU A 94 6.675 -3.406 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 94 4.244 -4.609 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.787 -2.462 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.133 -2.216 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 94 6.574 -1.719 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.612 -0.669 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.201 -2.398 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.924 -1.171 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.982 0.661 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.270 0.210 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.110 -0.097 -2.509 1.00 0.00 H new ATOM 1543 N GLY A 95 7.190 -4.144 -4.831 1.00 0.00 N ATOM 1544 CA GLY A 95 8.025 -4.467 -5.974 1.00 0.00 C ATOM 1545 C GLY A 95 9.164 -5.400 -5.615 1.00 0.00 C ATOM 1546 O GLY A 95 9.051 -6.617 -5.769 1.00 0.00 O ATOM 0 H GLY A 95 7.695 -3.796 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.412 -4.928 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.432 -3.547 -6.394 1.00 0.00 H new ATOM 1613 N LYS A 101 13.167 -1.431 3.316 1.00 0.00 N ATOM 1614 CA LYS A 101 11.819 -0.969 3.017 1.00 0.00 C ATOM 1615 C LYS A 101 11.700 -0.509 1.567 1.00 0.00 C ATOM 1616 O LYS A 101 12.653 0.018 0.992 1.00 0.00 O ATOM 1617 CB LYS A 101 11.428 0.171 3.958 1.00 0.00 C ATOM 1618 CG LYS A 101 9.953 0.178 4.326 1.00 0.00 C ATOM 1619 CD LYS A 101 9.593 -1.009 5.204 1.00 0.00 C ATOM 1620 CE LYS A 101 8.504 -0.652 6.204 1.00 0.00 C ATOM 1621 NZ LYS A 101 9.058 0.016 7.414 1.00 0.00 N ATOM 0 HA LYS A 101 11.139 -1.807 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.021 0.098 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.681 1.122 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.711 1.104 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.350 0.157 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.258 -1.837 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.480 -1.351 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.776 0.005 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.972 -1.556 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.284 0.243 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.734 -0.620 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.543 0.892 7.135 1.00 0.00 H new ATOM 1635 N ILE A 102 10.525 -0.712 0.980 1.00 0.00 N ATOM 1636 CA ILE A 102 10.281 -0.318 -0.401 1.00 0.00 C ATOM 1637 C ILE A 102 10.157 1.196 -0.527 1.00 0.00 C ATOM 1638 O ILE A 102 9.057 1.732 -0.664 1.00 0.00 O ATOM 1639 CB ILE A 102 9.007 -0.980 -0.960 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.072 -2.496 -0.763 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.830 -0.637 -2.432 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.183 -3.159 -1.547 1.00 0.00 C ATOM 0 H ILE A 102 9.726 -1.148 1.441 1.00 0.00 H new ATOM 0 HA ILE A 102 11.138 -0.657 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 102 8.145 -0.596 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.207 -2.711 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.118 -2.934 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.925 -1.113 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.746 0.444 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.691 -0.996 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.170 -4.233 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.038 -2.974 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.143 -2.748 -1.235 1.00 0.00 H new ATOM 1654 N ASN A 103 11.295 1.880 -0.487 1.00 0.00 N ATOM 1655 CA ASN A 103 11.319 3.332 -0.604 1.00 0.00 C ATOM 1656 C ASN A 103 11.760 3.753 -2.003 1.00 0.00 C ATOM 1657 O ASN A 103 11.412 4.835 -2.476 1.00 0.00 O ATOM 1658 CB ASN A 103 12.256 3.935 0.444 1.00 0.00 C ATOM 1659 CG ASN A 103 13.677 3.423 0.314 1.00 0.00 C ATOM 1660 OD1 ASN A 103 13.962 2.557 -0.514 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.576 3.957 1.133 1.00 0.00 N ATOM 0 H ASN A 103 12.214 1.451 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 103 10.309 3.705 -0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.254 5.021 0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.879 3.703 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.548 3.652 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.294 4.672 1.803 1.00 0.00 H new ATOM 1668 N TRP A 104 12.522 2.884 -2.661 1.00 0.00 N ATOM 1669 CA TRP A 104 13.005 3.154 -4.010 1.00 0.00 C ATOM 1670 C TRP A 104 12.408 2.152 -4.994 1.00 0.00 C ATOM 1671 O TRP A 104 13.114 1.308 -5.547 1.00 0.00 O ATOM 1672 CB TRP A 104 14.533 3.087 -4.054 1.00 0.00 C ATOM 1673 CG TRP A 104 15.196 4.363 -3.635 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.712 4.654 -2.405 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.414 5.522 -4.446 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.238 5.923 -2.401 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.067 6.477 -3.643 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.121 5.848 -5.774 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 16.432 7.732 -4.125 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 15.483 7.093 -6.251 1.00 0.00 C ATOM 1681 CH2 TRP A 104 16.133 8.022 -5.428 1.00 0.00 C ATOM 0 H TRP A 104 12.818 1.985 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 104 12.692 4.158 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.873 2.280 -3.405 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.849 2.837 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.707 3.984 -1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.683 6.378 -1.604 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.620 5.138 -6.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 16.933 8.450 -3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.261 7.354 -7.275 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.404 8.987 -5.831 1.00 0.00 H new ATOM 1692 N ALA A 105 11.096 2.246 -5.194 1.00 0.00 N ATOM 1693 CA ALA A 105 10.380 1.346 -6.096 1.00 0.00 C ATOM 1694 C ALA A 105 11.122 1.149 -7.414 1.00 0.00 C ATOM 1695 O ALA A 105 11.918 1.993 -7.827 1.00 0.00 O ATOM 1696 CB ALA A 105 8.977 1.869 -6.354 1.00 0.00 C ATOM 0 H ALA A 105 10.503 2.941 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 105 10.318 0.373 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.454 1.190 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.434 1.935 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.035 2.858 -6.809 1.00 0.00 H new ATOM 1702 N MET A 106 10.851 0.024 -8.070 1.00 0.00 N ATOM 1703 CA MET A 106 11.483 -0.301 -9.344 1.00 0.00 C ATOM 1704 C MET A 106 10.965 -1.635 -9.874 1.00 0.00 C ATOM 1705 O MET A 106 10.258 -2.357 -9.172 1.00 0.00 O ATOM 1706 CB MET A 106 13.005 -0.354 -9.186 1.00 0.00 C ATOM 1707 CG MET A 106 13.706 0.926 -9.612 1.00 0.00 C ATOM 1708 SD MET A 106 15.255 0.614 -10.482 1.00 0.00 S ATOM 1709 CE MET A 106 16.441 1.244 -9.296 1.00 0.00 C ATOM 0 H MET A 106 10.194 -0.681 -7.737 1.00 0.00 H new ATOM 0 HA MET A 106 11.231 0.480 -10.061 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.247 -0.561 -8.143 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.394 -1.185 -9.775 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.042 1.502 -10.256 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.905 1.537 -8.731 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.450 1.122 -9.690 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.248 2.301 -9.115 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.348 0.693 -8.360 1.00 0.00 H new ATOM 1719 N GLU A 107 11.319 -1.957 -11.117 1.00 0.00 N ATOM 1720 CA GLU A 107 10.887 -3.209 -11.738 1.00 0.00 C ATOM 1721 C GLU A 107 9.369 -3.247 -11.918 1.00 0.00 C ATOM 1722 O GLU A 107 8.794 -4.303 -12.189 1.00 0.00 O ATOM 1723 CB GLU A 107 11.326 -4.394 -10.885 1.00 0.00 C ATOM 1724 CG GLU A 107 12.598 -5.065 -11.379 1.00 0.00 C ATOM 1725 CD GLU A 107 12.321 -6.183 -12.366 1.00 0.00 C ATOM 1726 OE1 GLU A 107 11.627 -5.927 -13.373 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.799 -7.313 -12.132 1.00 0.00 O ATOM 0 H GLU A 107 11.902 -1.370 -11.713 1.00 0.00 H new ATOM 0 HA GLU A 107 11.352 -3.270 -12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.479 -4.056 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.523 -5.131 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.238 -4.319 -11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.148 -5.465 -10.527 1.00 0.00 H new ATOM 1734 N ASP A 108 8.732 -2.095 -11.759 1.00 0.00 N ATOM 1735 CA ASP A 108 7.280 -1.979 -11.894 1.00 0.00 C ATOM 1736 C ASP A 108 6.764 -2.755 -13.105 1.00 0.00 C ATOM 1737 O ASP A 108 7.501 -2.997 -14.060 1.00 0.00 O ATOM 1738 CB ASP A 108 6.875 -0.509 -12.009 1.00 0.00 C ATOM 1739 CG ASP A 108 7.718 0.246 -13.018 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.372 -0.410 -13.856 1.00 0.00 O ATOM 1741 OD2 ASP A 108 7.726 1.494 -12.969 1.00 0.00 O ATOM 0 H ASP A 108 9.201 -1.217 -11.534 1.00 0.00 H new ATOM 0 HA ASP A 108 6.830 -2.411 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.826 -0.446 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.967 -0.032 -11.033 1.00 0.00 H new ATOM 1746 N LYS A 109 5.489 -3.146 -13.041 1.00 0.00 N ATOM 1747 CA LYS A 109 4.832 -3.904 -14.109 1.00 0.00 C ATOM 1748 C LYS A 109 5.070 -5.400 -13.932 1.00 0.00 C ATOM 1749 O LYS A 109 4.151 -6.207 -14.066 1.00 0.00 O ATOM 1750 CB LYS A 109 5.314 -3.457 -15.495 1.00 0.00 C ATOM 1751 CG LYS A 109 5.386 -1.947 -15.662 1.00 0.00 C ATOM 1752 CD LYS A 109 6.654 -1.525 -16.387 1.00 0.00 C ATOM 1753 CE LYS A 109 6.443 -0.245 -17.179 1.00 0.00 C ATOM 1754 NZ LYS A 109 5.312 -0.365 -18.138 1.00 0.00 N ATOM 0 H LYS A 109 4.882 -2.946 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 109 3.763 -3.704 -14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.301 -3.881 -15.681 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.644 -3.865 -16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.515 -1.600 -16.218 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.350 -1.470 -14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.456 -1.379 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.972 -2.322 -17.059 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.250 0.579 -16.492 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.355 -0.000 -17.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.588 0.045 -19.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.071 -1.368 -18.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.485 0.145 -17.766 1.00 0.00 H new ATOM 1768 N GLN A 110 6.312 -5.759 -13.636 1.00 0.00 N ATOM 1769 CA GLN A 110 6.687 -7.152 -13.443 1.00 0.00 C ATOM 1770 C GLN A 110 6.539 -7.571 -11.981 1.00 0.00 C ATOM 1771 O GLN A 110 5.582 -8.253 -11.613 1.00 0.00 O ATOM 1772 CB GLN A 110 8.127 -7.359 -13.905 1.00 0.00 C ATOM 1773 CG GLN A 110 8.252 -8.237 -15.139 1.00 0.00 C ATOM 1774 CD GLN A 110 8.171 -9.716 -14.813 1.00 0.00 C ATOM 1775 OE1 GLN A 110 9.188 -10.373 -14.597 1.00 0.00 O ATOM 1776 NE2 GLN A 110 6.953 -10.247 -14.777 1.00 0.00 N ATOM 0 H GLN A 110 7.081 -5.099 -13.524 1.00 0.00 H new ATOM 0 HA GLN A 110 6.017 -7.775 -14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.575 -6.388 -14.114 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.699 -7.806 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.462 -7.980 -15.845 1.00 0.00 H new ATOM 0 HG3 GLN A 110 9.201 -8.029 -15.634 1.00 0.00 H new ATOM 0 HE21 GLN A 110 6.137 -9.664 -14.963 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.835 -11.237 -14.564 1.00 0.00 H new ATOM 1785 N GLU A 111 7.501 -7.164 -11.156 1.00 0.00 N ATOM 1786 CA GLU A 111 7.494 -7.501 -9.734 1.00 0.00 C ATOM 1787 C GLU A 111 6.135 -7.218 -9.098 1.00 0.00 C ATOM 1788 O GLU A 111 5.694 -7.944 -8.206 1.00 0.00 O ATOM 1789 CB GLU A 111 8.584 -6.717 -9.000 1.00 0.00 C ATOM 1790 CG GLU A 111 9.994 -7.129 -9.389 1.00 0.00 C ATOM 1791 CD GLU A 111 10.515 -8.284 -8.556 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.100 -8.406 -7.384 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.337 -9.067 -9.075 1.00 0.00 O ATOM 0 H GLU A 111 8.298 -6.599 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 111 7.693 -8.569 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.455 -5.654 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.458 -6.853 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.009 -7.410 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.662 -6.275 -9.277 1.00 0.00 H new ATOM 1800 N MET A 112 5.478 -6.161 -9.560 1.00 0.00 N ATOM 1801 CA MET A 112 4.171 -5.788 -9.032 1.00 0.00 C ATOM 1802 C MET A 112 3.159 -6.906 -9.256 1.00 0.00 C ATOM 1803 O MET A 112 2.586 -7.439 -8.306 1.00 0.00 O ATOM 1804 CB MET A 112 3.679 -4.495 -9.688 1.00 0.00 C ATOM 1805 CG MET A 112 4.757 -3.434 -9.836 1.00 0.00 C ATOM 1806 SD MET A 112 5.623 -3.094 -8.292 1.00 0.00 S ATOM 1807 CE MET A 112 6.180 -1.416 -8.578 1.00 0.00 C ATOM 0 H MET A 112 5.827 -5.548 -10.297 1.00 0.00 H new ATOM 0 HA MET A 112 4.273 -5.623 -7.959 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.275 -4.729 -10.673 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.860 -4.087 -9.096 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.477 -3.758 -10.587 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.305 -2.513 -10.204 1.00 0.00 H new ATOM 0 HE1 MET A 112 7.269 -1.387 -8.562 1.00 0.00 H new ATOM 0 HE2 MET A 112 5.822 -1.074 -9.549 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.788 -0.764 -7.797 1.00 0.00 H new ATOM 1817 N VAL A 113 2.946 -7.261 -10.517 1.00 0.00 N ATOM 1818 CA VAL A 113 2.005 -8.322 -10.868 1.00 0.00 C ATOM 1819 C VAL A 113 2.232 -9.564 -10.007 1.00 0.00 C ATOM 1820 O VAL A 113 1.285 -10.252 -9.625 1.00 0.00 O ATOM 1821 CB VAL A 113 2.131 -8.707 -12.357 1.00 0.00 C ATOM 1822 CG1 VAL A 113 1.178 -9.843 -12.705 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.873 -7.499 -13.245 1.00 0.00 C ATOM 0 H VAL A 113 3.412 -6.830 -11.316 1.00 0.00 H new ATOM 0 HA VAL A 113 1.002 -7.937 -10.683 1.00 0.00 H new ATOM 0 HB VAL A 113 3.149 -9.053 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.285 -10.097 -13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.414 -10.715 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.152 -9.530 -12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.966 -7.790 -14.291 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.867 -7.121 -13.062 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.600 -6.719 -13.019 1.00 0.00 H new ATOM 1833 N ASP A 114 3.497 -9.842 -9.713 1.00 0.00 N ATOM 1834 CA ASP A 114 3.859 -11.001 -8.904 1.00 0.00 C ATOM 1835 C ASP A 114 3.456 -10.815 -7.444 1.00 0.00 C ATOM 1836 O ASP A 114 2.894 -11.721 -6.828 1.00 0.00 O ATOM 1837 CB ASP A 114 5.364 -11.260 -8.998 1.00 0.00 C ATOM 1838 CG ASP A 114 5.790 -11.701 -10.385 1.00 0.00 C ATOM 1839 OD1 ASP A 114 5.545 -10.948 -11.350 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.369 -12.801 -10.506 1.00 0.00 O ATOM 0 H ASP A 114 4.290 -9.280 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 114 3.316 -11.861 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.904 -10.353 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.644 -12.026 -8.274 1.00 0.00 H new ATOM 1845 N ILE A 115 3.754 -9.644 -6.886 1.00 0.00 N ATOM 1846 CA ILE A 115 3.426 -9.363 -5.492 1.00 0.00 C ATOM 1847 C ILE A 115 1.917 -9.274 -5.278 1.00 0.00 C ATOM 1848 O ILE A 115 1.383 -9.852 -4.331 1.00 0.00 O ATOM 1849 CB ILE A 115 4.104 -8.062 -4.992 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.390 -8.159 -3.491 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.255 -6.829 -5.294 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.844 -7.936 -3.138 1.00 0.00 C ATOM 0 H ILE A 115 4.219 -8.879 -7.375 1.00 0.00 H new ATOM 0 HA ILE A 115 3.813 -10.199 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 115 5.046 -7.951 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.780 -7.425 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.084 -9.142 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.765 -5.938 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.105 -6.745 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.288 -6.923 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.973 -8.019 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.458 -8.686 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.149 -6.942 -3.464 1.00 0.00 H new ATOM 1864 N ILE A 116 1.236 -8.541 -6.153 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.205 -8.377 -6.040 1.00 0.00 C ATOM 1866 C ILE A 116 -0.912 -9.728 -6.051 1.00 0.00 C ATOM 1867 O ILE A 116 -1.950 -9.903 -5.412 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.766 -7.503 -7.180 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.011 -6.174 -7.252 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.256 -7.262 -6.981 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.429 -5.808 -8.650 1.00 0.00 C ATOM 0 H ILE A 116 1.658 -8.054 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.393 -7.879 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.627 -8.031 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.648 -5.381 -6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.865 -6.227 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.636 -6.644 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.781 -8.217 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.419 -6.753 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.958 -4.855 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.092 -6.582 -9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.445 -5.723 -9.296 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.340 -10.682 -6.781 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.913 -12.019 -6.875 1.00 0.00 C ATOM 1885 C GLU A 117 -0.789 -12.758 -5.547 1.00 0.00 C ATOM 1886 O GLU A 117 -1.733 -13.405 -5.094 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.221 -12.816 -7.983 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.143 -13.790 -8.699 1.00 0.00 C ATOM 1889 CD GLU A 117 -0.899 -13.829 -10.195 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.489 -12.792 -10.758 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -1.118 -14.898 -10.803 1.00 0.00 O ATOM 0 H GLU A 117 0.519 -10.553 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.971 -11.918 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.197 -12.122 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.615 -13.369 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.003 -14.789 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.179 -13.509 -8.511 1.00 0.00 H new ATOM 1898 N THR A 118 0.382 -12.656 -4.926 1.00 0.00 N ATOM 1899 CA THR A 118 0.629 -13.315 -3.648 1.00 0.00 C ATOM 1900 C THR A 118 -0.311 -12.780 -2.573 1.00 0.00 C ATOM 1901 O THR A 118 -1.037 -13.541 -1.933 1.00 0.00 O ATOM 1902 CB THR A 118 2.084 -13.117 -3.219 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.618 -11.936 -3.791 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.986 -14.267 -3.611 1.00 0.00 C ATOM 0 H THR A 118 1.174 -12.124 -5.286 1.00 0.00 H new ATOM 0 HA THR A 118 0.440 -14.381 -3.773 1.00 0.00 H new ATOM 0 HB THR A 118 2.059 -13.053 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.128 -11.158 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.003 -14.062 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.629 -15.185 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.977 -14.384 -4.695 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.294 -11.464 -2.381 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.147 -10.827 -1.386 1.00 0.00 C ATOM 1914 C VAL A 119 -2.620 -11.091 -1.681 1.00 0.00 C ATOM 1915 O VAL A 119 -3.423 -11.277 -0.767 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.909 -9.305 -1.335 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.775 -8.659 -0.262 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.563 -9.002 -1.093 1.00 0.00 C ATOM 0 H VAL A 119 0.301 -10.820 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.888 -11.259 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.192 -8.882 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.591 -7.585 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.826 -8.843 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.529 -9.086 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.712 -7.923 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.874 -9.440 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.159 -9.426 -1.901 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.966 -11.105 -2.963 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.342 -11.345 -3.381 1.00 0.00 C ATOM 1930 C TYR A 120 -4.801 -12.739 -2.967 1.00 0.00 C ATOM 1931 O TYR A 120 -5.967 -12.946 -2.632 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.469 -11.180 -4.897 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.872 -11.396 -5.418 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.423 -12.670 -5.479 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.645 -10.326 -5.851 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.704 -12.872 -5.956 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.927 -10.520 -6.329 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.452 -11.794 -6.380 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.728 -11.990 -6.856 1.00 0.00 O ATOM 0 H TYR A 120 -2.312 -10.953 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.981 -10.613 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.139 -10.179 -5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.797 -11.884 -5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.840 -13.517 -5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.237 -9.327 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.117 -13.869 -5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.515 -9.677 -6.661 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.305 -11.257 -6.555 1.00 0.00 H new ATOM 1949 N ARG A 121 -3.876 -13.693 -2.995 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.185 -15.069 -2.624 1.00 0.00 C ATOM 1951 C ARG A 121 -3.962 -15.293 -1.132 1.00 0.00 C ATOM 1952 O ARG A 121 -4.669 -16.078 -0.499 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.326 -16.043 -3.432 1.00 0.00 C ATOM 1954 CG ARG A 121 -3.702 -16.110 -4.902 1.00 0.00 C ATOM 1955 CD ARG A 121 -3.259 -17.420 -5.533 1.00 0.00 C ATOM 1956 NE ARG A 121 -3.142 -17.318 -6.985 1.00 0.00 N ATOM 1957 CZ ARG A 121 -3.021 -18.367 -7.795 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -2.999 -19.598 -7.299 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -2.920 -18.185 -9.105 1.00 0.00 N ATOM 0 H ARG A 121 -2.906 -13.538 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.236 -15.252 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.280 -15.749 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.414 -17.039 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.781 -16.001 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.244 -15.276 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.299 -17.718 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.974 -18.203 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.154 -16.388 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.075 -19.744 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.906 -20.398 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.935 -17.241 -9.491 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.827 -18.989 -9.726 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.975 -14.599 -0.577 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.677 -14.735 0.837 1.00 0.00 C ATOM 1975 C GLY A 122 -3.652 -13.973 1.711 1.00 0.00 C ATOM 1976 O GLY A 122 -4.080 -14.468 2.754 1.00 0.00 O ATOM 0 H GLY A 122 -2.376 -13.945 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.698 -15.790 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.666 -14.376 1.028 1.00 0.00 H new ATOM 1980 N ALA A 123 -4.003 -12.764 1.285 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.934 -11.930 2.035 1.00 0.00 C ATOM 1982 C ALA A 123 -6.380 -12.276 1.692 1.00 0.00 C ATOM 1983 O ALA A 123 -7.151 -11.417 1.265 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.660 -10.459 1.762 1.00 0.00 C ATOM 0 H ALA A 123 -3.657 -12.340 0.424 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.785 -12.124 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.362 -9.847 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.641 -10.216 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.780 -10.258 0.697 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.740 -13.541 1.880 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.094 -14.002 1.591 1.00 0.00 C ATOM 1992 C ARG A 124 -8.923 -14.092 2.868 1.00 0.00 C ATOM 1993 O ARG A 124 -10.009 -13.521 2.956 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.054 -15.365 0.899 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.836 -15.278 -0.604 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.592 -16.373 -1.339 1.00 0.00 C ATOM 1997 NE ARG A 124 -7.751 -17.541 -1.594 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.036 -18.476 -2.497 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.137 -18.385 -3.234 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -7.218 -19.506 -2.665 1.00 0.00 N ATOM 0 H ARG A 124 -6.114 -14.266 2.231 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.563 -13.277 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.257 -15.964 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.990 -15.889 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.163 -14.303 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.771 -15.358 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.460 -16.672 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.967 -15.983 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.896 -17.645 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.770 -17.595 -3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.350 -19.105 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.371 -19.581 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -7.436 -20.223 -3.357 1.00 0.00 H new