USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 766 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 55 GLN :FLIP amide:sc= 0.593 F(o=0.0006,f=1.5) USER MOD Set 1.2: A 66 THR OG1 : rot -21:sc= 0.917 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0578 K(o=-0.058,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.316 K(o=-0.32,f=-0.87) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 39 THR OG1 : rot -179:sc= -2.94 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.83 F(o=-5.9!,f=-1.8) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 THR OG1 : rot -128:sc= -0.581 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -0.0627 (180deg=-0.0627) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -143:sc= -0.425 (180deg=-1.65!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.43 F(o=-3.8!,f=-1.4) USER MOD Single : A 71 TYR OH : rot 179:sc= 0.00139 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -2.3! C(o=-3.3!,f=-2.3!) USER MOD Single : A 87 TYR OH : rot -127:sc= -6.01! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 142:sc= 1.05 USER MOD Single : A 95 ASN : amide:sc= -5.95! C(o=-6!,f=-13!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 150:sc= 0.44 USER MOD Single : A 104 THR OG1 : rot 163:sc= -0.452 USER MOD Single : A 105 MET CE :methyl -166:sc= -0.15 (180deg=-0.75) USER MOD Single : A 106 THR OG1 : rot 104:sc= 0.958 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.233 -18.915 34.733 1.00 0.00 N ATOM 2 CA GLY A 1 -13.128 -19.634 33.475 1.00 0.00 C ATOM 3 C GLY A 1 -13.881 -18.903 32.361 1.00 0.00 C ATOM 4 O GLY A 1 -14.470 -17.848 32.594 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.281 -18.681 35.080 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.773 -18.038 34.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.720 -19.510 35.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.079 -19.741 33.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.531 -20.640 33.592 1.00 0.00 H new ATOM 8 N SER A 2 -13.838 -19.492 31.175 1.00 0.00 N ATOM 9 CA SER A 2 -14.508 -18.909 30.026 1.00 0.00 C ATOM 10 C SER A 2 -14.265 -19.772 28.785 1.00 0.00 C ATOM 11 O SER A 2 -13.140 -20.203 28.536 1.00 0.00 O ATOM 12 CB SER A 2 -14.032 -17.477 29.777 1.00 0.00 C ATOM 13 OG SER A 2 -14.613 -16.917 28.603 1.00 0.00 O ATOM 0 H SER A 2 -13.349 -20.367 30.985 1.00 0.00 H new ATOM 0 HA SER A 2 -15.577 -18.876 30.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.284 -16.857 30.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.946 -17.467 29.684 1.00 0.00 H new ATOM 0 HG SER A 2 -14.285 -16.002 28.480 1.00 0.00 H new ATOM 18 N SER A 3 -15.338 -19.998 28.041 1.00 0.00 N ATOM 19 CA SER A 3 -15.255 -20.801 26.833 1.00 0.00 C ATOM 20 C SER A 3 -16.608 -20.815 26.120 1.00 0.00 C ATOM 21 O SER A 3 -17.616 -20.390 26.684 1.00 0.00 O ATOM 22 CB SER A 3 -14.808 -22.229 27.152 1.00 0.00 C ATOM 23 OG SER A 3 -15.784 -22.937 27.911 1.00 0.00 O ATOM 0 H SER A 3 -16.269 -19.639 28.252 1.00 0.00 H new ATOM 0 HA SER A 3 -14.510 -20.354 26.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.613 -22.764 26.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.869 -22.200 27.706 1.00 0.00 H new ATOM 0 HG SER A 3 -15.462 -23.845 28.093 1.00 0.00 H new ATOM 28 N GLY A 4 -16.588 -21.305 24.889 1.00 0.00 N ATOM 29 CA GLY A 4 -17.801 -21.379 24.093 1.00 0.00 C ATOM 30 C GLY A 4 -17.698 -22.484 23.038 1.00 0.00 C ATOM 31 O GLY A 4 -16.627 -23.054 22.834 1.00 0.00 O ATOM 0 H GLY A 4 -15.751 -21.655 24.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.655 -21.570 24.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.979 -20.421 23.605 1.00 0.00 H new ATOM 35 N SER A 5 -18.825 -22.751 22.397 1.00 0.00 N ATOM 36 CA SER A 5 -18.876 -23.776 21.368 1.00 0.00 C ATOM 37 C SER A 5 -19.800 -23.334 20.233 1.00 0.00 C ATOM 38 O SER A 5 -20.572 -22.389 20.387 1.00 0.00 O ATOM 39 CB SER A 5 -19.346 -25.113 21.945 1.00 0.00 C ATOM 40 OG SER A 5 -18.383 -25.684 22.826 1.00 0.00 O ATOM 0 H SER A 5 -19.711 -22.276 22.570 1.00 0.00 H new ATOM 0 HA SER A 5 -17.869 -23.915 20.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.284 -24.967 22.480 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.548 -25.808 21.130 1.00 0.00 H new ATOM 0 HG SER A 5 -18.722 -26.535 23.174 1.00 0.00 H new ATOM 45 N SER A 6 -19.690 -24.037 19.115 1.00 0.00 N ATOM 46 CA SER A 6 -20.507 -23.729 17.954 1.00 0.00 C ATOM 47 C SER A 6 -20.845 -25.014 17.195 1.00 0.00 C ATOM 48 O SER A 6 -19.983 -25.867 16.997 1.00 0.00 O ATOM 49 CB SER A 6 -19.796 -22.738 17.028 1.00 0.00 C ATOM 50 OG SER A 6 -18.638 -23.308 16.425 1.00 0.00 O ATOM 0 H SER A 6 -19.047 -24.819 18.989 1.00 0.00 H new ATOM 0 HA SER A 6 -21.431 -23.265 18.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.486 -22.410 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.511 -21.852 17.595 1.00 0.00 H new ATOM 0 HG SER A 6 -18.214 -22.645 15.841 1.00 0.00 H new ATOM 55 N GLY A 7 -22.103 -25.110 16.791 1.00 0.00 N ATOM 56 CA GLY A 7 -22.567 -26.277 16.060 1.00 0.00 C ATOM 57 C GLY A 7 -23.088 -25.885 14.676 1.00 0.00 C ATOM 58 O GLY A 7 -22.357 -25.958 13.690 1.00 0.00 O ATOM 0 H GLY A 7 -22.815 -24.399 16.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.752 -26.993 15.956 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.358 -26.773 16.623 1.00 0.00 H new ATOM 62 N ALA A 8 -24.348 -25.476 14.647 1.00 0.00 N ATOM 63 CA ALA A 8 -24.976 -25.072 13.401 1.00 0.00 C ATOM 64 C ALA A 8 -25.045 -26.274 12.456 1.00 0.00 C ATOM 65 O ALA A 8 -24.183 -27.151 12.497 1.00 0.00 O ATOM 66 CB ALA A 8 -24.201 -23.899 12.795 1.00 0.00 C ATOM 0 H ALA A 8 -24.951 -25.416 15.467 1.00 0.00 H new ATOM 0 HA ALA A 8 -25.996 -24.732 13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -24.672 -23.596 11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -24.206 -23.061 13.492 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -23.173 -24.204 12.601 1.00 0.00 H new ATOM 72 N SER A 9 -26.080 -26.277 11.629 1.00 0.00 N ATOM 73 CA SER A 9 -26.274 -27.357 10.676 1.00 0.00 C ATOM 74 C SER A 9 -25.941 -26.874 9.262 1.00 0.00 C ATOM 75 O SER A 9 -25.234 -27.555 8.521 1.00 0.00 O ATOM 76 CB SER A 9 -27.706 -27.890 10.730 1.00 0.00 C ATOM 77 OG SER A 9 -27.760 -29.230 11.210 1.00 0.00 O ATOM 0 H SER A 9 -26.793 -25.549 11.599 1.00 0.00 H new ATOM 0 HA SER A 9 -25.602 -28.172 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.307 -27.249 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.148 -27.844 9.735 1.00 0.00 H new ATOM 0 HG SER A 9 -28.692 -29.533 11.231 1.00 0.00 H new ATOM 82 N ILE A 10 -26.465 -25.703 8.933 1.00 0.00 N ATOM 83 CA ILE A 10 -26.232 -25.121 7.623 1.00 0.00 C ATOM 84 C ILE A 10 -25.838 -23.652 7.784 1.00 0.00 C ATOM 85 O ILE A 10 -26.426 -22.933 8.591 1.00 0.00 O ATOM 86 CB ILE A 10 -27.447 -25.336 6.717 1.00 0.00 C ATOM 87 CG1 ILE A 10 -28.566 -24.350 7.058 1.00 0.00 C ATOM 88 CG2 ILE A 10 -27.924 -26.789 6.776 1.00 0.00 C ATOM 89 CD1 ILE A 10 -29.238 -24.720 8.383 1.00 0.00 C ATOM 0 H ILE A 10 -27.050 -25.141 9.551 1.00 0.00 H new ATOM 0 HA ILE A 10 -25.400 -25.622 7.127 1.00 0.00 H new ATOM 0 HB ILE A 10 -27.146 -25.138 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -28.159 -23.341 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -29.307 -24.345 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -28.788 -26.915 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -27.121 -27.449 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -28.203 -27.039 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -30.030 -24.003 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -29.665 -25.720 8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -28.499 -24.700 9.184 1.00 0.00 H new ATOM 100 N ASP A 11 -24.845 -23.249 7.004 1.00 0.00 N ATOM 101 CA ASP A 11 -24.366 -21.878 7.050 1.00 0.00 C ATOM 102 C ASP A 11 -23.168 -21.730 6.110 1.00 0.00 C ATOM 103 O ASP A 11 -22.420 -22.682 5.897 1.00 0.00 O ATOM 104 CB ASP A 11 -23.910 -21.501 8.460 1.00 0.00 C ATOM 105 CG ASP A 11 -24.397 -20.139 8.956 1.00 0.00 C ATOM 106 OD1 ASP A 11 -25.351 -19.619 8.338 1.00 0.00 O ATOM 107 OD2 ASP A 11 -23.805 -19.648 9.942 1.00 0.00 O ATOM 0 H ASP A 11 -24.359 -23.848 6.337 1.00 0.00 H new ATOM 0 HA ASP A 11 -25.185 -21.224 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.255 -22.268 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.820 -21.512 8.488 1.00 0.00 H new ATOM 111 N ILE A 12 -23.023 -20.527 5.572 1.00 0.00 N ATOM 112 CA ILE A 12 -21.929 -20.241 4.661 1.00 0.00 C ATOM 113 C ILE A 12 -21.687 -21.458 3.764 1.00 0.00 C ATOM 114 O ILE A 12 -20.836 -22.293 4.063 1.00 0.00 O ATOM 115 CB ILE A 12 -20.689 -19.792 5.435 1.00 0.00 C ATOM 116 CG1 ILE A 12 -20.890 -18.396 6.030 1.00 0.00 C ATOM 117 CG2 ILE A 12 -19.438 -19.867 4.560 1.00 0.00 C ATOM 118 CD1 ILE A 12 -19.751 -18.038 6.987 1.00 0.00 C ATOM 0 H ILE A 12 -23.646 -19.739 5.750 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.186 -19.408 4.007 1.00 0.00 H new ATOM 0 HB ILE A 12 -20.540 -20.479 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.941 -17.659 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.841 -18.357 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -18.571 -19.542 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -19.288 -20.894 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.561 -19.218 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.919 -17.041 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -19.718 -18.763 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -18.804 -18.054 6.448 1.00 0.00 H new ATOM 129 N GLN A 13 -22.451 -21.518 2.683 1.00 0.00 N ATOM 130 CA GLN A 13 -22.330 -22.618 1.742 1.00 0.00 C ATOM 131 C GLN A 13 -22.083 -22.084 0.331 1.00 0.00 C ATOM 132 O GLN A 13 -22.479 -20.964 0.009 1.00 0.00 O ATOM 133 CB GLN A 13 -23.571 -23.511 1.781 1.00 0.00 C ATOM 134 CG GLN A 13 -23.318 -24.767 2.619 1.00 0.00 C ATOM 135 CD GLN A 13 -24.628 -25.330 3.173 1.00 0.00 C ATOM 136 OE1 GLN A 13 -25.486 -24.613 3.661 1.00 0.00 O ATOM 137 NE2 GLN A 13 -24.736 -26.652 3.068 1.00 0.00 N ATOM 0 H GLN A 13 -23.156 -20.823 2.438 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.475 -23.228 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -24.411 -22.955 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.850 -23.796 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -22.823 -25.522 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.643 -24.530 3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.980 -27.194 2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.575 -27.124 3.407 1.00 0.00 H new ATOM 144 N ILE A 14 -21.430 -22.909 -0.475 1.00 0.00 N ATOM 145 CA ILE A 14 -21.125 -22.533 -1.845 1.00 0.00 C ATOM 146 C ILE A 14 -20.776 -21.044 -1.895 1.00 0.00 C ATOM 147 O ILE A 14 -21.650 -20.205 -2.109 1.00 0.00 O ATOM 148 CB ILE A 14 -22.274 -22.927 -2.776 1.00 0.00 C ATOM 149 CG1 ILE A 14 -22.387 -24.449 -2.893 1.00 0.00 C ATOM 150 CG2 ILE A 14 -22.124 -22.258 -4.144 1.00 0.00 C ATOM 151 CD1 ILE A 14 -23.783 -24.860 -3.367 1.00 0.00 C ATOM 0 H ILE A 14 -21.104 -23.837 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 14 -20.252 -23.077 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 14 -23.206 -22.567 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -21.638 -24.820 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.177 -24.908 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.953 -22.554 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.129 -21.175 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -21.183 -22.568 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.837 -25.946 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -24.528 -24.508 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.980 -24.419 -4.344 1.00 0.00 H new ATOM 162 N ILE A 15 -19.497 -20.762 -1.695 1.00 0.00 N ATOM 163 CA ILE A 15 -19.022 -19.389 -1.715 1.00 0.00 C ATOM 164 C ILE A 15 -18.364 -19.101 -3.066 1.00 0.00 C ATOM 165 O ILE A 15 -17.168 -19.331 -3.239 1.00 0.00 O ATOM 166 CB ILE A 15 -18.110 -19.121 -0.517 1.00 0.00 C ATOM 167 CG1 ILE A 15 -18.749 -19.617 0.781 1.00 0.00 C ATOM 168 CG2 ILE A 15 -17.729 -17.640 -0.439 1.00 0.00 C ATOM 169 CD1 ILE A 15 -17.748 -19.571 1.938 1.00 0.00 C ATOM 0 H ILE A 15 -18.775 -21.461 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 15 -19.856 -18.695 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 15 -17.188 -19.685 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.617 -19.002 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -19.108 -20.637 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -17.080 -17.476 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -17.204 -17.351 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -18.631 -17.037 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -18.228 -19.929 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.893 -20.206 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -17.409 -18.546 2.085 1.00 0.00 H new ATOM 180 N ASP A 16 -19.174 -18.604 -3.989 1.00 0.00 N ATOM 181 CA ASP A 16 -18.685 -18.281 -5.319 1.00 0.00 C ATOM 182 C ASP A 16 -18.099 -16.869 -5.315 1.00 0.00 C ATOM 183 O ASP A 16 -18.736 -15.930 -4.839 1.00 0.00 O ATOM 184 CB ASP A 16 -19.818 -18.321 -6.347 1.00 0.00 C ATOM 185 CG ASP A 16 -20.391 -19.712 -6.626 1.00 0.00 C ATOM 186 OD1 ASP A 16 -19.636 -20.687 -6.422 1.00 0.00 O ATOM 187 OD2 ASP A 16 -21.570 -19.768 -7.036 1.00 0.00 O ATOM 0 H ASP A 16 -20.166 -18.417 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.928 -19.018 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.625 -17.675 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.453 -17.901 -7.284 1.00 0.00 H new ATOM 191 N ARG A 17 -16.892 -16.761 -5.851 1.00 0.00 N ATOM 192 CA ARG A 17 -16.213 -15.478 -5.914 1.00 0.00 C ATOM 193 C ARG A 17 -16.067 -14.885 -4.512 1.00 0.00 C ATOM 194 O ARG A 17 -17.050 -14.455 -3.910 1.00 0.00 O ATOM 195 CB ARG A 17 -16.978 -14.493 -6.800 1.00 0.00 C ATOM 196 CG ARG A 17 -16.451 -14.523 -8.236 1.00 0.00 C ATOM 197 CD ARG A 17 -17.350 -13.706 -9.167 1.00 0.00 C ATOM 198 NE ARG A 17 -17.092 -14.081 -10.576 1.00 0.00 N ATOM 199 CZ ARG A 17 -17.613 -15.162 -11.173 1.00 0.00 C ATOM 200 NH1 ARG A 17 -18.422 -15.980 -10.489 1.00 0.00 N ATOM 201 NH2 ARG A 17 -17.324 -15.423 -12.455 1.00 0.00 N ATOM 0 H ARG A 17 -16.367 -17.541 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.226 -15.646 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.039 -14.741 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.884 -13.485 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.436 -14.126 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.399 -15.554 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.397 -13.881 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.163 -12.642 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.480 -13.479 -11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.642 -15.781 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.818 -16.803 -10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.708 -14.799 -12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.720 -16.246 -12.910 1.00 0.00 H new ATOM 212 N PRO A 18 -14.800 -14.880 -4.019 1.00 0.00 N ATOM 213 CA PRO A 18 -14.512 -14.347 -2.699 1.00 0.00 C ATOM 214 C PRO A 18 -14.553 -12.817 -2.705 1.00 0.00 C ATOM 215 O PRO A 18 -14.629 -12.190 -1.649 1.00 0.00 O ATOM 216 CB PRO A 18 -13.144 -14.902 -2.339 1.00 0.00 C ATOM 217 CG PRO A 18 -12.516 -15.345 -3.650 1.00 0.00 C ATOM 218 CD PRO A 18 -13.611 -15.381 -4.703 1.00 0.00 C ATOM 0 HA PRO A 18 -15.254 -14.641 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.532 -14.145 -1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.232 -15.738 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.724 -14.656 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.059 -16.328 -3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.356 -14.759 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -13.767 -16.393 -5.078 1.00 0.00 H new ATOM 223 N GLY A 19 -14.499 -12.260 -3.906 1.00 0.00 N ATOM 224 CA GLY A 19 -14.528 -10.816 -4.063 1.00 0.00 C ATOM 225 C GLY A 19 -13.121 -10.224 -3.965 1.00 0.00 C ATOM 226 O GLY A 19 -12.137 -10.961 -3.903 1.00 0.00 O ATOM 0 H GLY A 19 -14.435 -12.783 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.967 -10.561 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.165 -10.376 -3.296 1.00 0.00 H new ATOM 230 N PRO A 20 -13.067 -8.866 -3.953 1.00 0.00 N ATOM 231 CA PRO A 20 -11.796 -8.167 -3.864 1.00 0.00 C ATOM 232 C PRO A 20 -11.232 -8.236 -2.443 1.00 0.00 C ATOM 233 O PRO A 20 -11.895 -8.728 -1.531 1.00 0.00 O ATOM 234 CB PRO A 20 -12.095 -6.747 -4.316 1.00 0.00 C ATOM 235 CG PRO A 20 -13.602 -6.580 -4.197 1.00 0.00 C ATOM 236 CD PRO A 20 -14.211 -7.962 -4.025 1.00 0.00 C ATOM 0 HA PRO A 20 -11.024 -8.615 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.571 -6.021 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.764 -6.586 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.850 -5.945 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.004 -6.094 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.817 -8.018 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.863 -8.214 -4.861 1.00 0.00 H new ATOM 241 N PRO A 21 -9.982 -7.722 -2.296 1.00 0.00 N ATOM 242 CA PRO A 21 -9.321 -7.720 -1.002 1.00 0.00 C ATOM 243 C PRO A 21 -9.907 -6.644 -0.087 1.00 0.00 C ATOM 244 O PRO A 21 -10.475 -5.662 -0.564 1.00 0.00 O ATOM 245 CB PRO A 21 -7.849 -7.498 -1.313 1.00 0.00 C ATOM 246 CG PRO A 21 -7.802 -6.922 -2.718 1.00 0.00 C ATOM 247 CD PRO A 21 -9.167 -7.131 -3.353 1.00 0.00 C ATOM 0 HA PRO A 21 -9.464 -8.653 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.397 -6.814 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.292 -8.433 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.553 -5.861 -2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.028 -7.414 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.591 -6.188 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.104 -7.790 -4.219 1.00 0.00 H new ATOM 252 N GLN A 22 -9.752 -6.865 1.210 1.00 0.00 N ATOM 253 CA GLN A 22 -10.260 -5.926 2.195 1.00 0.00 C ATOM 254 C GLN A 22 -9.811 -4.504 1.854 1.00 0.00 C ATOM 255 O GLN A 22 -10.638 -3.600 1.735 1.00 0.00 O ATOM 256 CB GLN A 22 -9.815 -6.317 3.605 1.00 0.00 C ATOM 257 CG GLN A 22 -10.866 -7.195 4.288 1.00 0.00 C ATOM 258 CD GLN A 22 -11.065 -6.778 5.747 1.00 0.00 C ATOM 259 OE1 GLN A 22 -12.084 -6.226 6.128 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.038 -7.072 6.539 1.00 0.00 N ATOM 0 H GLN A 22 -9.282 -7.681 1.602 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.349 -5.958 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.866 -6.851 3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.645 -5.419 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.812 -7.119 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.557 -8.239 4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.214 -7.535 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.074 -6.834 7.530 1.00 0.00 H new ATOM 267 N ILE A 23 -8.504 -4.349 1.706 1.00 0.00 N ATOM 268 CA ILE A 23 -7.936 -3.052 1.381 1.00 0.00 C ATOM 269 C ILE A 23 -6.595 -3.251 0.671 1.00 0.00 C ATOM 270 O ILE A 23 -6.014 -4.334 0.727 1.00 0.00 O ATOM 271 CB ILE A 23 -7.846 -2.178 2.632 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.982 -0.695 2.277 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.561 -2.465 3.411 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.615 -0.007 2.265 1.00 0.00 C ATOM 0 H ILE A 23 -7.822 -5.101 1.805 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.586 -2.514 0.691 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.681 -2.431 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.453 -0.593 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.635 -0.203 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.522 -1.830 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.546 -3.512 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.698 -2.258 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.740 1.045 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.157 -0.090 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.973 -0.486 1.526 1.00 0.00 H new ATOM 285 N VAL A 24 -6.142 -2.189 0.021 1.00 0.00 N ATOM 286 CA VAL A 24 -4.881 -2.234 -0.699 1.00 0.00 C ATOM 287 C VAL A 24 -4.138 -0.911 -0.497 1.00 0.00 C ATOM 288 O VAL A 24 -4.607 0.142 -0.927 1.00 0.00 O ATOM 289 CB VAL A 24 -5.129 -2.561 -2.172 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.811 -2.648 -2.944 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.936 -3.853 -2.318 1.00 0.00 C ATOM 0 H VAL A 24 -6.626 -1.292 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.246 -3.029 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.716 -1.749 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.016 -2.882 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.289 -1.693 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.188 -3.431 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.099 -4.063 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.387 -4.678 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.898 -3.739 -1.818 1.00 0.00 H new ATOM 301 N LYS A 25 -2.988 -1.009 0.156 1.00 0.00 N ATOM 302 CA LYS A 25 -2.175 0.167 0.419 1.00 0.00 C ATOM 303 C LYS A 25 -0.757 -0.072 -0.103 1.00 0.00 C ATOM 304 O LYS A 25 -0.411 -1.190 -0.481 1.00 0.00 O ATOM 305 CB LYS A 25 -2.230 0.535 1.903 1.00 0.00 C ATOM 306 CG LYS A 25 -1.866 -0.665 2.780 1.00 0.00 C ATOM 307 CD LYS A 25 -1.084 -0.222 4.018 1.00 0.00 C ATOM 308 CE LYS A 25 -1.958 -0.292 5.273 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.160 1.060 5.839 1.00 0.00 N ATOM 0 H LYS A 25 -2.601 -1.884 0.510 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.570 1.031 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.543 1.358 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.230 0.886 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.774 -1.185 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.271 -1.374 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.207 -0.857 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.722 0.797 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.922 -0.738 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.488 -0.937 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.755 0.995 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.239 1.472 6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.628 1.665 5.134 1.00 0.00 H new ATOM 319 N ILE A 26 0.025 0.998 -0.108 1.00 0.00 N ATOM 320 CA ILE A 26 1.398 0.918 -0.578 1.00 0.00 C ATOM 321 C ILE A 26 2.348 1.147 0.599 1.00 0.00 C ATOM 322 O ILE A 26 2.496 2.272 1.074 1.00 0.00 O ATOM 323 CB ILE A 26 1.621 1.882 -1.745 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.742 1.508 -2.940 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.102 1.952 -2.123 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.128 2.690 -3.373 1.00 0.00 C ATOM 0 H ILE A 26 -0.266 1.924 0.206 1.00 0.00 H new ATOM 0 HA ILE A 26 1.610 -0.076 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 26 1.323 2.880 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.370 1.190 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.107 0.661 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.233 2.644 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.680 2.300 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.450 0.962 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.743 2.397 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.772 2.990 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.510 3.527 -3.658 1.00 0.00 H new ATOM 337 N GLU A 27 2.971 0.062 1.035 1.00 0.00 N ATOM 338 CA GLU A 27 3.904 0.130 2.147 1.00 0.00 C ATOM 339 C GLU A 27 4.834 1.334 1.986 1.00 0.00 C ATOM 340 O GLU A 27 5.098 2.052 2.949 1.00 0.00 O ATOM 341 CB GLU A 27 4.703 -1.169 2.273 1.00 0.00 C ATOM 342 CG GLU A 27 4.417 -1.861 3.606 1.00 0.00 C ATOM 343 CD GLU A 27 5.557 -1.630 4.600 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.682 -2.075 4.287 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.277 -1.012 5.650 1.00 0.00 O ATOM 0 H GLU A 27 2.848 -0.870 0.638 1.00 0.00 H new ATOM 0 HA GLU A 27 3.334 0.257 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.449 -1.837 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.769 -0.954 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.484 -1.483 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.283 -2.930 3.443 1.00 0.00 H new ATOM 350 N ASP A 28 5.307 1.515 0.762 1.00 0.00 N ATOM 351 CA ASP A 28 6.203 2.619 0.462 1.00 0.00 C ATOM 352 C ASP A 28 6.738 2.465 -0.963 1.00 0.00 C ATOM 353 O ASP A 28 6.427 1.488 -1.644 1.00 0.00 O ATOM 354 CB ASP A 28 7.399 2.633 1.416 1.00 0.00 C ATOM 355 CG ASP A 28 7.778 4.012 1.958 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.859 4.853 2.063 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.978 4.194 2.257 1.00 0.00 O ATOM 0 H ASP A 28 5.087 0.916 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 28 5.642 3.547 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.181 1.976 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.262 2.213 0.899 1.00 0.00 H new ATOM 361 N VAL A 29 7.531 3.444 -1.373 1.00 0.00 N ATOM 362 CA VAL A 29 8.111 3.429 -2.705 1.00 0.00 C ATOM 363 C VAL A 29 9.487 4.095 -2.666 1.00 0.00 C ATOM 364 O VAL A 29 9.610 5.250 -2.260 1.00 0.00 O ATOM 365 CB VAL A 29 7.154 4.091 -3.700 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.608 5.407 -3.142 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.835 4.310 -5.052 1.00 0.00 C ATOM 0 H VAL A 29 7.785 4.253 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 29 8.256 2.404 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 29 6.311 3.417 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.931 5.857 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.069 5.213 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.435 6.090 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.134 4.781 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.704 4.955 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.153 3.350 -5.459 1.00 0.00 H new ATOM 377 N TRP A 30 10.488 3.339 -3.092 1.00 0.00 N ATOM 378 CA TRP A 30 11.851 3.841 -3.109 1.00 0.00 C ATOM 379 C TRP A 30 12.435 3.574 -4.498 1.00 0.00 C ATOM 380 O TRP A 30 12.090 2.584 -5.140 1.00 0.00 O ATOM 381 CB TRP A 30 12.679 3.221 -1.983 1.00 0.00 C ATOM 382 CG TRP A 30 12.760 1.694 -2.038 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.803 0.935 -2.399 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.706 0.765 -1.703 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.500 -0.410 -2.324 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.185 -0.516 -1.886 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.392 1.000 -1.261 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.417 -1.662 -1.652 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.637 -0.156 -1.031 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.105 -1.453 -1.210 1.00 0.00 C ATOM 0 H TRP A 30 10.382 2.382 -3.428 1.00 0.00 H new ATOM 0 HA TRP A 30 11.869 4.915 -2.924 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.689 3.630 -2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.251 3.518 -1.025 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.761 1.326 -2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.126 -1.183 -2.549 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.997 1.994 -1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.815 -2.654 -1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.620 -0.032 -0.691 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.460 -2.295 -1.009 1.00 0.00 H new ATOM 400 N GLY A 31 13.311 4.475 -4.919 1.00 0.00 N ATOM 401 CA GLY A 31 13.947 4.349 -6.220 1.00 0.00 C ATOM 402 C GLY A 31 12.965 3.802 -7.258 1.00 0.00 C ATOM 403 O GLY A 31 11.917 4.398 -7.501 1.00 0.00 O ATOM 0 H GLY A 31 13.595 5.295 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.319 5.321 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.809 3.686 -6.145 1.00 0.00 H new ATOM 407 N GLU A 32 13.341 2.674 -7.845 1.00 0.00 N ATOM 408 CA GLU A 32 12.508 2.040 -8.851 1.00 0.00 C ATOM 409 C GLU A 32 11.855 0.779 -8.283 1.00 0.00 C ATOM 410 O GLU A 32 11.767 -0.241 -8.965 1.00 0.00 O ATOM 411 CB GLU A 32 13.317 1.718 -10.110 1.00 0.00 C ATOM 412 CG GLU A 32 14.047 2.961 -10.625 1.00 0.00 C ATOM 413 CD GLU A 32 14.881 2.632 -11.864 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.395 1.814 -12.676 1.00 0.00 O ATOM 415 OE2 GLU A 32 15.986 3.206 -11.973 1.00 0.00 O ATOM 0 H GLU A 32 14.212 2.184 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 32 11.720 2.738 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.040 0.932 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.653 1.334 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.323 3.739 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.693 3.358 -9.842 1.00 0.00 H new ATOM 420 N ASN A 33 11.413 0.890 -7.039 1.00 0.00 N ATOM 421 CA ASN A 33 10.770 -0.228 -6.370 1.00 0.00 C ATOM 422 C ASN A 33 9.587 0.287 -5.548 1.00 0.00 C ATOM 423 O ASN A 33 9.721 1.251 -4.797 1.00 0.00 O ATOM 424 CB ASN A 33 11.739 -0.932 -5.417 1.00 0.00 C ATOM 425 CG ASN A 33 13.036 -1.310 -6.134 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.176 -2.384 -6.694 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.974 -0.369 -6.086 1.00 0.00 N ATOM 0 H ASN A 33 11.488 1.738 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 33 10.440 -0.933 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.963 -0.280 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.269 -1.828 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.876 -0.525 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.791 0.509 -5.600 1.00 0.00 H new ATOM 433 N VAL A 34 8.455 -0.381 -5.717 1.00 0.00 N ATOM 434 CA VAL A 34 7.249 -0.003 -5.000 1.00 0.00 C ATOM 435 C VAL A 34 6.852 -1.133 -4.047 1.00 0.00 C ATOM 436 O VAL A 34 7.061 -2.307 -4.350 1.00 0.00 O ATOM 437 CB VAL A 34 6.141 0.359 -5.992 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.763 0.011 -5.425 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.217 1.836 -6.383 1.00 0.00 C ATOM 0 H VAL A 34 8.348 -1.182 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 34 7.428 0.886 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 34 6.291 -0.234 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.993 0.278 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.713 -1.058 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.599 0.565 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.419 2.067 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.104 2.454 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.182 2.040 -6.847 1.00 0.00 H new ATOM 449 N ALA A 35 6.286 -0.739 -2.916 1.00 0.00 N ATOM 450 CA ALA A 35 5.859 -1.703 -1.917 1.00 0.00 C ATOM 451 C ALA A 35 4.333 -1.676 -1.809 1.00 0.00 C ATOM 452 O ALA A 35 3.748 -0.641 -1.493 1.00 0.00 O ATOM 453 CB ALA A 35 6.544 -1.396 -0.584 1.00 0.00 C ATOM 0 H ALA A 35 6.113 0.236 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 35 6.151 -2.712 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.223 -2.120 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.625 -1.457 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.272 -0.392 -0.258 1.00 0.00 H new ATOM 459 N LEU A 36 3.731 -2.826 -2.077 1.00 0.00 N ATOM 460 CA LEU A 36 2.285 -2.947 -2.013 1.00 0.00 C ATOM 461 C LEU A 36 1.897 -3.705 -0.741 1.00 0.00 C ATOM 462 O LEU A 36 2.660 -4.536 -0.252 1.00 0.00 O ATOM 463 CB LEU A 36 1.744 -3.580 -3.296 1.00 0.00 C ATOM 464 CG LEU A 36 1.606 -2.645 -4.499 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.497 -3.439 -5.802 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.431 -1.683 -4.314 1.00 0.00 C ATOM 0 H LEU A 36 4.219 -3.682 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 36 1.822 -1.962 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.400 -4.405 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.766 -4.010 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 36 2.510 -2.040 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.400 -2.750 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.392 -4.047 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.621 -4.087 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.355 -1.030 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.492 -2.253 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.591 -1.080 -3.420 1.00 0.00 H new ATOM 477 N THR A 37 0.709 -3.392 -0.245 1.00 0.00 N ATOM 478 CA THR A 37 0.210 -4.033 0.960 1.00 0.00 C ATOM 479 C THR A 37 -1.317 -4.123 0.923 1.00 0.00 C ATOM 480 O THR A 37 -2.005 -3.113 1.064 1.00 0.00 O ATOM 481 CB THR A 37 0.744 -3.258 2.166 1.00 0.00 C ATOM 482 OG1 THR A 37 0.801 -1.908 1.712 1.00 0.00 O ATOM 483 CG2 THR A 37 2.199 -3.603 2.487 1.00 0.00 C ATOM 0 H THR A 37 0.078 -2.704 -0.655 1.00 0.00 H new ATOM 0 HA THR A 37 0.563 -5.061 1.035 1.00 0.00 H new ATOM 0 HB THR A 37 0.121 -3.466 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.136 -1.334 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.528 -3.025 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.280 -4.667 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.828 -3.363 1.629 1.00 0.00 H new ATOM 491 N TRP A 38 -1.802 -5.341 0.732 1.00 0.00 N ATOM 492 CA TRP A 38 -3.235 -5.575 0.675 1.00 0.00 C ATOM 493 C TRP A 38 -3.605 -6.528 1.814 1.00 0.00 C ATOM 494 O TRP A 38 -2.772 -7.310 2.268 1.00 0.00 O ATOM 495 CB TRP A 38 -3.651 -6.099 -0.701 1.00 0.00 C ATOM 496 CG TRP A 38 -3.039 -7.454 -1.061 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.526 -8.674 -0.799 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.800 -7.678 -1.766 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.694 -9.665 -1.280 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.611 -9.039 -1.888 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.869 -6.760 -2.284 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.500 -9.605 -2.523 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.237 -7.342 -2.916 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.441 -8.711 -3.047 1.00 0.00 C ATOM 0 H TRP A 38 -1.228 -6.176 0.615 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.783 -4.642 0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.737 -6.182 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.364 -5.369 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.453 -8.859 -0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.846 -10.671 -1.204 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.997 -5.691 -2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.375 -10.675 -2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.984 -6.681 -3.331 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.321 -9.083 -3.551 1.00 0.00 H new ATOM 514 N THR A 39 -4.855 -6.430 2.242 1.00 0.00 N ATOM 515 CA THR A 39 -5.344 -7.274 3.319 1.00 0.00 C ATOM 516 C THR A 39 -6.057 -8.503 2.752 1.00 0.00 C ATOM 517 O THR A 39 -6.459 -8.510 1.589 1.00 0.00 O ATOM 518 CB THR A 39 -6.235 -6.418 4.223 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.045 -5.680 3.312 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.446 -5.344 4.974 1.00 0.00 C ATOM 0 H THR A 39 -5.543 -5.780 1.863 1.00 0.00 H new ATOM 0 HA THR A 39 -4.523 -7.663 3.921 1.00 0.00 H new ATOM 0 HB THR A 39 -6.748 -7.059 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.644 -5.087 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.125 -4.765 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.690 -5.819 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.960 -4.682 4.257 1.00 0.00 H new ATOM 528 N PRO A 40 -6.195 -9.540 3.622 1.00 0.00 N ATOM 529 CA PRO A 40 -6.852 -10.772 3.219 1.00 0.00 C ATOM 530 C PRO A 40 -8.369 -10.585 3.146 1.00 0.00 C ATOM 531 O PRO A 40 -8.896 -9.569 3.596 1.00 0.00 O ATOM 532 CB PRO A 40 -6.429 -11.800 4.256 1.00 0.00 C ATOM 533 CG PRO A 40 -5.933 -11.005 5.452 1.00 0.00 C ATOM 534 CD PRO A 40 -5.731 -9.566 5.005 1.00 0.00 C ATOM 0 HA PRO A 40 -6.565 -11.095 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.265 -12.442 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.645 -12.449 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.654 -11.053 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.999 -11.423 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.300 -8.875 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.684 -9.272 5.077 1.00 0.00 H new ATOM 539 N PRO A 41 -9.046 -11.609 2.560 1.00 0.00 N ATOM 540 CA PRO A 41 -10.492 -11.568 2.423 1.00 0.00 C ATOM 541 C PRO A 41 -11.178 -11.835 3.764 1.00 0.00 C ATOM 542 O PRO A 41 -10.765 -12.720 4.512 1.00 0.00 O ATOM 543 CB PRO A 41 -10.816 -12.616 1.371 1.00 0.00 C ATOM 544 CG PRO A 41 -9.599 -13.523 1.296 1.00 0.00 C ATOM 545 CD PRO A 41 -8.456 -12.829 2.017 1.00 0.00 C ATOM 0 HA PRO A 41 -10.858 -10.588 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.707 -13.181 1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.016 -12.151 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.812 -14.487 1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.332 -13.719 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.047 -13.457 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.637 -12.603 1.335 1.00 0.00 H new ATOM 550 N LYS A 42 -12.215 -11.054 4.028 1.00 0.00 N ATOM 551 CA LYS A 42 -12.963 -11.195 5.265 1.00 0.00 C ATOM 552 C LYS A 42 -13.724 -12.522 5.248 1.00 0.00 C ATOM 553 O LYS A 42 -14.281 -12.936 6.264 1.00 0.00 O ATOM 554 CB LYS A 42 -13.858 -9.976 5.492 1.00 0.00 C ATOM 555 CG LYS A 42 -13.734 -9.464 6.929 1.00 0.00 C ATOM 556 CD LYS A 42 -14.648 -8.260 7.164 1.00 0.00 C ATOM 557 CE LYS A 42 -15.981 -8.695 7.776 1.00 0.00 C ATOM 558 NZ LYS A 42 -17.073 -8.570 6.785 1.00 0.00 N ATOM 0 H LYS A 42 -12.555 -10.321 3.406 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.285 -11.227 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.583 -9.184 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.895 -10.238 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.991 -10.261 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.700 -9.185 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.155 -7.548 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.828 -7.746 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.910 -9.727 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.203 -8.083 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.970 -8.869 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.151 -7.580 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.867 -9.173 5.963 1.00 0.00 H new ATOM 568 N ASP A 43 -13.725 -13.152 4.083 1.00 0.00 N ATOM 569 CA ASP A 43 -14.408 -14.425 3.920 1.00 0.00 C ATOM 570 C ASP A 43 -13.382 -15.512 3.597 1.00 0.00 C ATOM 571 O ASP A 43 -12.351 -15.237 2.984 1.00 0.00 O ATOM 572 CB ASP A 43 -15.413 -14.365 2.768 1.00 0.00 C ATOM 573 CG ASP A 43 -16.625 -15.287 2.919 1.00 0.00 C ATOM 574 OD1 ASP A 43 -17.107 -15.407 4.066 1.00 0.00 O ATOM 575 OD2 ASP A 43 -17.043 -15.850 1.884 1.00 0.00 O ATOM 0 H ASP A 43 -13.264 -12.805 3.242 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.935 -14.647 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.766 -13.339 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -14.897 -14.617 1.842 1.00 0.00 H new ATOM 579 N ASP A 44 -13.700 -16.726 4.023 1.00 0.00 N ATOM 580 CA ASP A 44 -12.819 -17.857 3.787 1.00 0.00 C ATOM 581 C ASP A 44 -13.469 -19.128 4.337 1.00 0.00 C ATOM 582 O ASP A 44 -13.561 -19.307 5.550 1.00 0.00 O ATOM 583 CB ASP A 44 -11.477 -17.667 4.497 1.00 0.00 C ATOM 584 CG ASP A 44 -11.540 -17.728 6.025 1.00 0.00 C ATOM 585 OD1 ASP A 44 -12.423 -17.043 6.584 1.00 0.00 O ATOM 586 OD2 ASP A 44 -10.702 -18.457 6.598 1.00 0.00 O ATOM 0 H ASP A 44 -14.556 -16.951 4.530 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.651 -17.935 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.786 -18.433 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.061 -16.703 4.204 1.00 0.00 H new ATOM 590 N GLY A 45 -13.902 -19.978 3.418 1.00 0.00 N ATOM 591 CA GLY A 45 -14.541 -21.227 3.795 1.00 0.00 C ATOM 592 C GLY A 45 -14.661 -22.167 2.594 1.00 0.00 C ATOM 593 O GLY A 45 -14.285 -23.336 2.675 1.00 0.00 O ATOM 0 H GLY A 45 -13.823 -19.826 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.965 -21.711 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.531 -21.024 4.203 1.00 0.00 H new ATOM 597 N ASN A 46 -15.187 -21.622 1.506 1.00 0.00 N ATOM 598 CA ASN A 46 -15.360 -22.396 0.290 1.00 0.00 C ATOM 599 C ASN A 46 -14.209 -22.093 -0.672 1.00 0.00 C ATOM 600 O ASN A 46 -14.185 -21.038 -1.302 1.00 0.00 O ATOM 601 CB ASN A 46 -16.671 -22.033 -0.411 1.00 0.00 C ATOM 602 CG ASN A 46 -17.436 -23.291 -0.827 1.00 0.00 C ATOM 603 OD1 ASN A 46 -18.717 -23.288 -0.467 1.00 0.00 O flip ATOM 604 ND2 ASN A 46 -16.901 -24.203 -1.435 1.00 0.00 N flip ATOM 0 H ASN A 46 -15.499 -20.653 1.442 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.376 -23.452 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -17.289 -21.431 0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.461 -21.423 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -15.913 -24.142 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.442 -25.027 -1.698 1.00 0.00 H new ATOM 610 N ALA A 47 -13.285 -23.038 -0.753 1.00 0.00 N ATOM 611 CA ALA A 47 -12.134 -22.886 -1.628 1.00 0.00 C ATOM 612 C ALA A 47 -11.260 -21.737 -1.118 1.00 0.00 C ATOM 613 O ALA A 47 -11.179 -20.686 -1.751 1.00 0.00 O ATOM 614 CB ALA A 47 -12.610 -22.662 -3.065 1.00 0.00 C ATOM 0 H ALA A 47 -13.309 -23.912 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.526 -23.791 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.747 -22.548 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.202 -23.518 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.221 -21.760 -3.110 1.00 0.00 H new ATOM 620 N ALA A 48 -10.628 -21.977 0.021 1.00 0.00 N ATOM 621 CA ALA A 48 -9.764 -20.977 0.623 1.00 0.00 C ATOM 622 C ALA A 48 -8.918 -20.317 -0.468 1.00 0.00 C ATOM 623 O ALA A 48 -8.378 -20.999 -1.338 1.00 0.00 O ATOM 624 CB ALA A 48 -8.907 -21.629 1.710 1.00 0.00 C ATOM 0 H ALA A 48 -10.697 -22.850 0.543 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.356 -20.196 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.259 -20.878 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.554 -22.057 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.297 -22.417 1.268 1.00 0.00 H new ATOM 630 N ILE A 49 -8.831 -18.997 -0.386 1.00 0.00 N ATOM 631 CA ILE A 49 -8.060 -18.237 -1.355 1.00 0.00 C ATOM 632 C ILE A 49 -6.629 -18.778 -1.401 1.00 0.00 C ATOM 633 O ILE A 49 -5.886 -18.661 -0.428 1.00 0.00 O ATOM 634 CB ILE A 49 -8.142 -16.740 -1.050 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.546 -16.200 -1.326 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.068 -15.965 -1.816 1.00 0.00 C ATOM 637 CD1 ILE A 49 -10.439 -16.337 -0.092 1.00 0.00 C ATOM 0 H ILE A 49 -9.282 -18.435 0.336 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.479 -18.359 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.946 -16.597 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.485 -15.152 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.990 -16.741 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.148 -14.904 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.082 -16.327 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.208 -16.111 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.431 -15.946 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.518 -17.388 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.005 -15.775 0.735 1.00 0.00 H new ATOM 648 N THR A 50 -6.287 -19.360 -2.541 1.00 0.00 N ATOM 649 CA THR A 50 -4.959 -19.919 -2.726 1.00 0.00 C ATOM 650 C THR A 50 -3.914 -18.803 -2.792 1.00 0.00 C ATOM 651 O THR A 50 -2.984 -18.771 -1.989 1.00 0.00 O ATOM 652 CB THR A 50 -4.986 -20.800 -3.977 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.633 -19.990 -4.957 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.912 -22.008 -3.822 1.00 0.00 C ATOM 0 H THR A 50 -6.906 -19.456 -3.346 1.00 0.00 H new ATOM 0 HA THR A 50 -4.671 -20.541 -1.879 1.00 0.00 H new ATOM 0 HB THR A 50 -3.976 -21.143 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.692 -20.483 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.894 -22.600 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.573 -22.621 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.929 -21.665 -3.631 1.00 0.00 H new ATOM 662 N GLY A 51 -4.103 -17.915 -3.757 1.00 0.00 N ATOM 663 CA GLY A 51 -3.189 -16.800 -3.938 1.00 0.00 C ATOM 664 C GLY A 51 -3.930 -15.559 -4.439 1.00 0.00 C ATOM 665 O GLY A 51 -5.156 -15.564 -4.547 1.00 0.00 O ATOM 0 H GLY A 51 -4.876 -17.945 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.693 -16.575 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.411 -17.075 -4.650 1.00 0.00 H new ATOM 669 N TYR A 52 -3.156 -14.525 -4.732 1.00 0.00 N ATOM 670 CA TYR A 52 -3.723 -13.279 -5.219 1.00 0.00 C ATOM 671 C TYR A 52 -2.976 -12.783 -6.458 1.00 0.00 C ATOM 672 O TYR A 52 -1.747 -12.829 -6.506 1.00 0.00 O ATOM 673 CB TYR A 52 -3.543 -12.263 -4.089 1.00 0.00 C ATOM 674 CG TYR A 52 -4.040 -12.752 -2.728 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.242 -13.569 -1.953 1.00 0.00 C ATOM 676 CD2 TYR A 52 -5.288 -12.376 -2.273 1.00 0.00 C ATOM 677 CE1 TYR A 52 -3.710 -14.029 -0.672 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.756 -12.836 -0.991 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.945 -13.640 -0.254 1.00 0.00 C ATOM 680 OH TYR A 52 -5.388 -14.075 0.956 1.00 0.00 O ATOM 0 H TYR A 52 -2.140 -14.524 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.768 -13.416 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.486 -12.008 -4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.073 -11.347 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.265 -13.863 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.913 -11.737 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.095 -14.669 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.730 -12.548 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.624 -14.208 1.555 1.00 0.00 H new ATOM 689 N THR A 53 -3.748 -12.320 -7.430 1.00 0.00 N ATOM 690 CA THR A 53 -3.174 -11.817 -8.667 1.00 0.00 C ATOM 691 C THR A 53 -2.844 -10.329 -8.534 1.00 0.00 C ATOM 692 O THR A 53 -3.595 -9.575 -7.915 1.00 0.00 O ATOM 693 CB THR A 53 -4.153 -12.123 -9.801 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.031 -13.529 -9.996 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.710 -11.522 -11.137 1.00 0.00 C ATOM 0 H THR A 53 -4.766 -12.282 -7.386 1.00 0.00 H new ATOM 0 HA THR A 53 -2.228 -12.309 -8.894 1.00 0.00 H new ATOM 0 HB THR A 53 -5.140 -11.740 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.859 -13.714 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.440 -11.769 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.636 -10.439 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.738 -11.929 -11.415 1.00 0.00 H new ATOM 703 N ILE A 54 -1.720 -9.949 -9.124 1.00 0.00 N ATOM 704 CA ILE A 54 -1.281 -8.565 -9.080 1.00 0.00 C ATOM 705 C ILE A 54 -1.110 -8.043 -10.507 1.00 0.00 C ATOM 706 O ILE A 54 -0.645 -8.768 -11.386 1.00 0.00 O ATOM 707 CB ILE A 54 -0.024 -8.429 -8.219 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.331 -8.714 -6.748 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.628 -7.058 -8.413 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.284 -10.044 -6.307 1.00 0.00 C ATOM 0 H ILE A 54 -1.100 -10.577 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.035 -7.941 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 54 0.696 -9.178 -8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.058 -7.906 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.410 -8.740 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.519 -6.988 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.906 -6.932 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.077 -6.277 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.051 -10.222 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.126 -10.853 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.366 -10.006 -6.437 1.00 0.00 H new ATOM 721 N GLN A 55 -1.495 -6.789 -10.694 1.00 0.00 N ATOM 722 CA GLN A 55 -1.389 -6.161 -12.001 1.00 0.00 C ATOM 723 C GLN A 55 -0.954 -4.701 -11.855 1.00 0.00 C ATOM 724 O GLN A 55 -1.252 -4.060 -10.849 1.00 0.00 O ATOM 725 CB GLN A 55 -2.708 -6.267 -12.768 1.00 0.00 C ATOM 726 CG GLN A 55 -3.219 -7.709 -12.785 1.00 0.00 C ATOM 727 CD GLN A 55 -4.210 -7.926 -13.930 1.00 0.00 C ATOM 728 OE1 GLN A 55 -4.017 -9.056 -14.606 1.00 0.00 O flip ATOM 729 NE2 GLN A 55 -5.092 -7.122 -14.183 1.00 0.00 N flip ATOM 0 H GLN A 55 -1.881 -6.191 -9.963 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.629 -6.690 -12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.454 -5.619 -12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.568 -5.915 -13.790 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.379 -8.395 -12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.700 -7.939 -11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.185 -6.274 -13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.737 -7.298 -14.953 1.00 0.00 H new ATOM 736 N LYS A 56 -0.258 -4.220 -12.874 1.00 0.00 N ATOM 737 CA LYS A 56 0.220 -2.847 -12.871 1.00 0.00 C ATOM 738 C LYS A 56 -0.339 -2.115 -14.092 1.00 0.00 C ATOM 739 O LYS A 56 -0.728 -2.745 -15.075 1.00 0.00 O ATOM 740 CB LYS A 56 1.747 -2.812 -12.779 1.00 0.00 C ATOM 741 CG LYS A 56 2.232 -3.453 -11.478 1.00 0.00 C ATOM 742 CD LYS A 56 3.760 -3.435 -11.394 1.00 0.00 C ATOM 743 CE LYS A 56 4.387 -3.893 -12.712 1.00 0.00 C ATOM 744 NZ LYS A 56 5.850 -4.054 -12.562 1.00 0.00 N ATOM 0 H LYS A 56 -0.013 -4.755 -13.707 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.142 -2.319 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.178 -3.338 -13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.095 -1.780 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.811 -2.919 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.873 -4.480 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.103 -2.428 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.091 -4.085 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.942 -4.837 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.174 -3.165 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.259 -4.365 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.273 -3.145 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.048 -4.765 -11.829 1.00 0.00 H new ATOM 754 N ALA A 57 -0.362 -0.794 -13.990 1.00 0.00 N ATOM 755 CA ALA A 57 -0.868 0.031 -15.075 1.00 0.00 C ATOM 756 C ALA A 57 -0.270 1.435 -14.964 1.00 0.00 C ATOM 757 O ALA A 57 0.154 1.849 -13.885 1.00 0.00 O ATOM 758 CB ALA A 57 -2.397 0.044 -15.037 1.00 0.00 C ATOM 0 H ALA A 57 -0.039 -0.275 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.570 -0.379 -16.040 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.776 0.663 -15.851 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.772 -0.973 -15.149 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.734 0.452 -14.084 1.00 0.00 H new ATOM 764 N ASP A 58 -0.254 2.129 -16.092 1.00 0.00 N ATOM 765 CA ASP A 58 0.285 3.477 -16.135 1.00 0.00 C ATOM 766 C ASP A 58 -0.868 4.483 -16.117 1.00 0.00 C ATOM 767 O ASP A 58 -2.034 4.098 -16.185 1.00 0.00 O ATOM 768 CB ASP A 58 1.094 3.707 -17.412 1.00 0.00 C ATOM 769 CG ASP A 58 2.611 3.715 -17.224 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.041 4.014 -16.090 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.309 3.423 -18.220 1.00 0.00 O ATOM 0 H ASP A 58 -0.606 1.782 -16.984 1.00 0.00 H new ATOM 0 HA ASP A 58 0.934 3.608 -15.269 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.836 2.930 -18.132 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.792 4.659 -17.849 1.00 0.00 H new ATOM 775 N LYS A 59 -0.501 5.753 -16.025 1.00 0.00 N ATOM 776 CA LYS A 59 -1.490 6.817 -15.997 1.00 0.00 C ATOM 777 C LYS A 59 -1.624 7.419 -17.398 1.00 0.00 C ATOM 778 O LYS A 59 -2.118 8.535 -17.553 1.00 0.00 O ATOM 779 CB LYS A 59 -1.143 7.843 -14.917 1.00 0.00 C ATOM 780 CG LYS A 59 -2.265 7.951 -13.882 1.00 0.00 C ATOM 781 CD LYS A 59 -3.462 8.718 -14.447 1.00 0.00 C ATOM 782 CE LYS A 59 -3.693 10.018 -13.674 1.00 0.00 C ATOM 783 NZ LYS A 59 -4.260 11.056 -14.565 1.00 0.00 N ATOM 0 H LYS A 59 0.467 6.069 -15.969 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.468 6.421 -15.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.214 7.557 -14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.973 8.817 -15.377 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.580 6.953 -13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.894 8.455 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.291 8.942 -15.500 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.355 8.096 -14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.371 9.837 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.752 10.368 -13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.411 11.932 -14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.600 11.241 -15.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.168 10.725 -14.949 1.00 0.00 H new ATOM 793 N LYS A 60 -1.176 6.654 -18.382 1.00 0.00 N ATOM 794 CA LYS A 60 -1.240 7.098 -19.764 1.00 0.00 C ATOM 795 C LYS A 60 -1.997 6.059 -20.594 1.00 0.00 C ATOM 796 O LYS A 60 -2.741 6.413 -21.508 1.00 0.00 O ATOM 797 CB LYS A 60 0.163 7.404 -20.293 1.00 0.00 C ATOM 798 CG LYS A 60 1.099 6.211 -20.090 1.00 0.00 C ATOM 799 CD LYS A 60 2.246 6.570 -19.143 1.00 0.00 C ATOM 800 CE LYS A 60 3.575 6.651 -19.898 1.00 0.00 C ATOM 801 NZ LYS A 60 3.926 8.061 -20.177 1.00 0.00 N ATOM 0 H LYS A 60 -0.767 5.729 -18.250 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.795 8.033 -19.839 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.109 7.652 -21.353 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.566 8.278 -19.781 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.538 5.369 -19.685 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.502 5.893 -21.051 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.039 7.525 -18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.317 5.823 -18.353 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.364 6.183 -19.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.503 6.096 -20.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.830 8.099 -20.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.181 8.496 -20.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.014 8.581 -19.280 1.00 0.00 H new ATOM 811 N SER A 61 -1.782 4.799 -20.247 1.00 0.00 N ATOM 812 CA SER A 61 -2.435 3.708 -20.948 1.00 0.00 C ATOM 813 C SER A 61 -3.351 2.944 -19.991 1.00 0.00 C ATOM 814 O SER A 61 -4.375 2.402 -20.405 1.00 0.00 O ATOM 815 CB SER A 61 -1.407 2.759 -21.569 1.00 0.00 C ATOM 816 OG SER A 61 -0.692 3.372 -22.638 1.00 0.00 O ATOM 0 H SER A 61 -1.164 4.509 -19.489 1.00 0.00 H new ATOM 0 HA SER A 61 -3.034 4.130 -21.755 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.704 2.434 -20.802 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.913 1.866 -21.936 1.00 0.00 H new ATOM 0 HG SER A 61 -0.045 2.735 -23.006 1.00 0.00 H new ATOM 821 N MET A 62 -2.950 2.924 -18.728 1.00 0.00 N ATOM 822 CA MET A 62 -3.723 2.235 -17.708 1.00 0.00 C ATOM 823 C MET A 62 -3.807 0.736 -18.003 1.00 0.00 C ATOM 824 O MET A 62 -4.645 0.034 -17.438 1.00 0.00 O ATOM 825 CB MET A 62 -5.133 2.824 -17.650 1.00 0.00 C ATOM 826 CG MET A 62 -5.107 4.257 -17.113 1.00 0.00 C ATOM 827 SD MET A 62 -4.746 4.247 -15.366 1.00 0.00 S ATOM 828 CE MET A 62 -6.158 3.335 -14.763 1.00 0.00 C ATOM 0 H MET A 62 -2.100 3.374 -18.388 1.00 0.00 H new ATOM 0 HA MET A 62 -3.224 2.370 -16.748 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.577 2.813 -18.645 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.764 2.204 -17.013 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.355 4.840 -17.645 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.068 4.739 -17.291 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.476 3.747 -13.805 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.975 3.413 -15.481 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.887 2.287 -14.635 1.00 0.00 H new ATOM 836 N GLU A 63 -2.929 0.289 -18.889 1.00 0.00 N ATOM 837 CA GLU A 63 -2.895 -1.114 -19.266 1.00 0.00 C ATOM 838 C GLU A 63 -2.591 -1.984 -18.045 1.00 0.00 C ATOM 839 O GLU A 63 -1.564 -1.809 -17.392 1.00 0.00 O ATOM 840 CB GLU A 63 -1.873 -1.357 -20.380 1.00 0.00 C ATOM 841 CG GLU A 63 -0.595 -0.553 -20.137 1.00 0.00 C ATOM 842 CD GLU A 63 0.596 -1.188 -20.856 1.00 0.00 C ATOM 843 OE1 GLU A 63 0.472 -1.401 -22.082 1.00 0.00 O ATOM 844 OE2 GLU A 63 1.605 -1.447 -20.164 1.00 0.00 O ATOM 0 H GLU A 63 -2.236 0.873 -19.357 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.877 -1.391 -19.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.634 -2.419 -20.434 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.305 -1.079 -21.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.732 0.470 -20.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.392 -0.499 -19.067 1.00 0.00 H new ATOM 849 N TRP A 64 -3.505 -2.905 -17.773 1.00 0.00 N ATOM 850 CA TRP A 64 -3.347 -3.804 -16.643 1.00 0.00 C ATOM 851 C TRP A 64 -2.625 -5.060 -17.133 1.00 0.00 C ATOM 852 O TRP A 64 -3.142 -5.787 -17.979 1.00 0.00 O ATOM 853 CB TRP A 64 -4.699 -4.107 -15.991 1.00 0.00 C ATOM 854 CG TRP A 64 -5.432 -2.868 -15.472 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.453 -2.215 -16.043 1.00 0.00 C ATOM 856 CD2 TRP A 64 -5.156 -2.158 -14.248 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.854 -1.139 -15.278 1.00 0.00 N ATOM 858 CE2 TRP A 64 -6.041 -1.103 -14.151 1.00 0.00 C ATOM 859 CE3 TRP A 64 -4.192 -2.398 -13.252 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -6.049 -0.205 -13.077 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -4.213 -1.491 -12.186 1.00 0.00 C ATOM 862 CH2 TRP A 64 -5.097 -0.424 -12.075 1.00 0.00 C ATOM 0 H TRP A 64 -4.357 -3.047 -18.316 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.744 -3.340 -15.863 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.335 -4.615 -16.716 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.544 -4.798 -15.163 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.905 -2.495 -16.983 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.609 -0.489 -15.499 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.491 -3.218 -13.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.752 0.613 -13.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.492 -1.630 -11.394 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.049 0.233 -11.219 1.00 0.00 H new ATOM 872 N PHE A 65 -1.440 -5.276 -16.580 1.00 0.00 N ATOM 873 CA PHE A 65 -0.640 -6.431 -16.951 1.00 0.00 C ATOM 874 C PHE A 65 -0.445 -7.369 -15.758 1.00 0.00 C ATOM 875 O PHE A 65 -0.146 -6.919 -14.653 1.00 0.00 O ATOM 876 CB PHE A 65 0.724 -5.906 -17.400 1.00 0.00 C ATOM 877 CG PHE A 65 1.074 -6.243 -18.851 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.647 -5.437 -19.859 1.00 0.00 C ATOM 879 CD2 PHE A 65 1.813 -7.350 -19.133 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.972 -5.751 -21.206 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.139 -7.663 -20.479 1.00 0.00 C ATOM 882 CZ PHE A 65 1.711 -6.856 -21.487 1.00 0.00 C ATOM 0 H PHE A 65 -1.015 -4.671 -15.878 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.140 -6.991 -17.741 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.745 -4.823 -17.274 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.493 -6.317 -16.747 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.061 -4.558 -19.636 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.152 -7.991 -18.333 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.632 -5.111 -22.007 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.726 -8.541 -20.702 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.959 -7.094 -22.511 1.00 0.00 H new ATOM 891 N THR A 66 -0.624 -8.655 -16.022 1.00 0.00 N ATOM 892 CA THR A 66 -0.471 -9.660 -14.983 1.00 0.00 C ATOM 893 C THR A 66 0.958 -9.651 -14.438 1.00 0.00 C ATOM 894 O THR A 66 1.908 -9.923 -15.172 1.00 0.00 O ATOM 895 CB THR A 66 -0.891 -11.010 -15.567 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.281 -10.853 -15.840 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.840 -12.136 -14.532 1.00 0.00 C ATOM 0 H THR A 66 -0.873 -9.024 -16.940 1.00 0.00 H new ATOM 0 HA THR A 66 -1.112 -9.446 -14.128 1.00 0.00 H new ATOM 0 HB THR A 66 -0.244 -11.259 -16.408 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.640 -10.120 -15.297 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.147 -13.072 -14.998 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.177 -12.236 -14.153 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.513 -11.903 -13.707 1.00 0.00 H new ATOM 905 N VAL A 67 1.067 -9.335 -13.156 1.00 0.00 N ATOM 906 CA VAL A 67 2.366 -9.287 -12.505 1.00 0.00 C ATOM 907 C VAL A 67 2.708 -10.674 -11.957 1.00 0.00 C ATOM 908 O VAL A 67 3.805 -11.181 -12.183 1.00 0.00 O ATOM 909 CB VAL A 67 2.371 -8.200 -11.428 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.686 -8.209 -10.647 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.104 -6.823 -12.038 1.00 0.00 C ATOM 0 H VAL A 67 0.278 -9.110 -12.550 1.00 0.00 H new ATOM 0 HA VAL A 67 3.143 -9.020 -13.221 1.00 0.00 H new ATOM 0 HB VAL A 67 1.564 -8.418 -10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.664 -7.427 -9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.817 -9.178 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.516 -8.028 -11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.113 -6.069 -11.251 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.878 -6.593 -12.770 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.130 -6.825 -12.528 1.00 0.00 H new ATOM 921 N ILE A 68 1.748 -11.248 -11.247 1.00 0.00 N ATOM 922 CA ILE A 68 1.933 -12.566 -10.665 1.00 0.00 C ATOM 923 C ILE A 68 0.571 -13.241 -10.496 1.00 0.00 C ATOM 924 O ILE A 68 -0.464 -12.579 -10.547 1.00 0.00 O ATOM 925 CB ILE A 68 2.737 -12.470 -9.367 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.996 -13.337 -9.436 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.867 -12.818 -8.157 1.00 0.00 C ATOM 928 CD1 ILE A 68 3.637 -14.816 -9.586 1.00 0.00 C ATOM 0 H ILE A 68 0.839 -10.824 -11.062 1.00 0.00 H new ATOM 0 HA ILE A 68 2.521 -13.197 -11.331 1.00 0.00 H new ATOM 0 HB ILE A 68 3.064 -11.438 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.613 -13.022 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.590 -13.193 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.462 -12.742 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.028 -12.124 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.490 -13.836 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.550 -15.409 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.041 -15.134 -8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.064 -14.960 -10.502 1.00 0.00 H new ATOM 939 N GLU A 69 0.615 -14.551 -10.300 1.00 0.00 N ATOM 940 CA GLU A 69 -0.602 -15.323 -10.124 1.00 0.00 C ATOM 941 C GLU A 69 -0.411 -16.374 -9.029 1.00 0.00 C ATOM 942 O GLU A 69 0.699 -16.855 -8.812 1.00 0.00 O ATOM 943 CB GLU A 69 -1.034 -15.975 -11.439 1.00 0.00 C ATOM 944 CG GLU A 69 -1.399 -14.917 -12.482 1.00 0.00 C ATOM 945 CD GLU A 69 -2.824 -15.125 -12.999 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.208 -16.306 -13.143 1.00 0.00 O ATOM 947 OE2 GLU A 69 -3.497 -14.099 -13.239 1.00 0.00 O ATOM 0 H GLU A 69 1.476 -15.097 -10.259 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.397 -14.644 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.228 -16.603 -11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.890 -16.627 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.309 -13.923 -12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.696 -14.964 -13.314 1.00 0.00 H new ATOM 952 N HIS A 70 -1.512 -16.699 -8.366 1.00 0.00 N ATOM 953 CA HIS A 70 -1.479 -17.683 -7.297 1.00 0.00 C ATOM 954 C HIS A 70 -0.273 -17.421 -6.395 1.00 0.00 C ATOM 955 O HIS A 70 0.655 -18.227 -6.343 1.00 0.00 O ATOM 956 CB HIS A 70 -1.497 -19.103 -7.867 1.00 0.00 C ATOM 957 CG HIS A 70 -2.230 -19.229 -9.181 1.00 0.00 C ATOM 958 ND1 HIS A 70 -1.883 -18.828 -10.438 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -3.474 -19.826 -9.291 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -2.861 -19.163 -11.270 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -3.849 -19.781 -10.561 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.432 -16.298 -8.549 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.374 -17.589 -6.682 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.470 -19.442 -8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.960 -19.770 -7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.042 -20.256 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.873 -18.977 -12.334 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.723 -20.145 -10.942 1.00 0.00 H new ATOM 968 N TYR A 71 -0.323 -16.290 -5.705 1.00 0.00 N ATOM 969 CA TYR A 71 0.754 -15.913 -4.807 1.00 0.00 C ATOM 970 C TYR A 71 0.568 -16.550 -3.428 1.00 0.00 C ATOM 971 O TYR A 71 -0.340 -17.357 -3.230 1.00 0.00 O ATOM 972 CB TYR A 71 0.672 -14.391 -4.667 1.00 0.00 C ATOM 973 CG TYR A 71 2.002 -13.727 -4.306 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.171 -14.152 -4.904 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.033 -12.703 -3.381 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.422 -13.527 -4.564 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.284 -12.078 -3.040 1.00 0.00 C ATOM 978 CZ TYR A 71 4.418 -12.520 -3.649 1.00 0.00 C ATOM 979 OH TYR A 71 5.599 -11.930 -3.327 1.00 0.00 O ATOM 0 H TYR A 71 -1.093 -15.623 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 71 1.715 -16.247 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.310 -13.969 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.064 -14.146 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.147 -14.954 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.118 -12.371 -2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.344 -13.850 -5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.322 -11.276 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 71 5.441 -11.217 -2.674 1.00 0.00 H new ATOM 988 N HIS A 72 1.441 -16.164 -2.511 1.00 0.00 N ATOM 989 CA HIS A 72 1.385 -16.687 -1.157 1.00 0.00 C ATOM 990 C HIS A 72 1.156 -15.539 -0.171 1.00 0.00 C ATOM 991 O HIS A 72 0.058 -15.384 0.363 1.00 0.00 O ATOM 992 CB HIS A 72 2.640 -17.502 -0.836 1.00 0.00 C ATOM 993 CG HIS A 72 2.355 -18.849 -0.216 1.00 0.00 C ATOM 994 ND1 HIS A 72 2.065 -19.973 -0.968 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.323 -19.239 1.091 1.00 0.00 C ATOM 996 CE1 HIS A 72 1.865 -20.990 -0.142 1.00 0.00 C ATOM 997 NE2 HIS A 72 2.025 -20.533 1.135 1.00 0.00 N ATOM 0 H HIS A 72 2.192 -15.495 -2.679 1.00 0.00 H new ATOM 0 HA HIS A 72 0.543 -17.373 -1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.210 -17.649 -1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.271 -16.927 -0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.508 -18.604 1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.619 -22.002 -0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.931 -21.093 1.983 1.00 0.00 H new ATOM 1004 N ARG A 73 2.209 -14.764 0.039 1.00 0.00 N ATOM 1005 CA ARG A 73 2.137 -13.635 0.951 1.00 0.00 C ATOM 1006 C ARG A 73 1.100 -12.622 0.460 1.00 0.00 C ATOM 1007 O ARG A 73 0.383 -12.881 -0.505 1.00 0.00 O ATOM 1008 CB ARG A 73 3.495 -12.941 1.078 1.00 0.00 C ATOM 1009 CG ARG A 73 4.270 -13.472 2.285 1.00 0.00 C ATOM 1010 CD ARG A 73 4.647 -14.942 2.092 1.00 0.00 C ATOM 1011 NE ARG A 73 4.468 -15.681 3.363 1.00 0.00 N ATOM 1012 CZ ARG A 73 4.901 -16.932 3.570 1.00 0.00 C ATOM 1013 NH1 ARG A 73 5.540 -17.591 2.595 1.00 0.00 N ATOM 1014 NH2 ARG A 73 4.694 -17.524 4.754 1.00 0.00 N ATOM 0 H ARG A 73 3.117 -14.895 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 73 1.844 -14.017 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.076 -13.101 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.350 -11.865 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.172 -12.878 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.666 -13.363 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.027 -15.386 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.682 -15.020 1.759 1.00 0.00 H new ATOM 0 HE ARG A 73 3.986 -15.209 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.698 -17.141 1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.869 -18.543 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.207 -17.022 5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.023 -18.476 4.913 1.00 0.00 H new ATOM 1025 N THR A 74 1.052 -11.491 1.149 1.00 0.00 N ATOM 1026 CA THR A 74 0.114 -10.439 0.795 1.00 0.00 C ATOM 1027 C THR A 74 0.864 -9.195 0.317 1.00 0.00 C ATOM 1028 O THR A 74 0.247 -8.218 -0.106 1.00 0.00 O ATOM 1029 CB THR A 74 -0.783 -10.179 2.007 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.131 -9.887 3.061 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.507 -11.440 2.482 1.00 0.00 C ATOM 0 H THR A 74 1.647 -11.280 1.950 1.00 0.00 H new ATOM 0 HA THR A 74 -0.520 -10.738 -0.039 1.00 0.00 H new ATOM 0 HB THR A 74 -1.516 -9.412 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.367 -9.704 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.130 -11.199 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.134 -11.824 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.774 -12.196 2.764 1.00 0.00 H new ATOM 1039 N SER A 75 2.184 -9.271 0.398 1.00 0.00 N ATOM 1040 CA SER A 75 3.025 -8.163 -0.022 1.00 0.00 C ATOM 1041 C SER A 75 4.008 -8.631 -1.097 1.00 0.00 C ATOM 1042 O SER A 75 4.501 -9.756 -1.046 1.00 0.00 O ATOM 1043 CB SER A 75 3.783 -7.564 1.165 1.00 0.00 C ATOM 1044 OG SER A 75 3.881 -8.482 2.252 1.00 0.00 O ATOM 0 H SER A 75 2.692 -10.083 0.748 1.00 0.00 H new ATOM 0 HA SER A 75 2.383 -7.386 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.783 -7.271 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.277 -6.658 1.499 1.00 0.00 H new ATOM 0 HG SER A 75 4.373 -8.064 2.990 1.00 0.00 H new ATOM 1049 N ALA A 76 4.263 -7.742 -2.047 1.00 0.00 N ATOM 1050 CA ALA A 76 5.178 -8.049 -3.133 1.00 0.00 C ATOM 1051 C ALA A 76 5.810 -6.753 -3.643 1.00 0.00 C ATOM 1052 O ALA A 76 5.105 -5.793 -3.948 1.00 0.00 O ATOM 1053 CB ALA A 76 4.429 -8.805 -4.232 1.00 0.00 C ATOM 0 H ALA A 76 3.852 -6.809 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 76 5.985 -8.694 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.115 -9.036 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.024 -9.732 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.614 -8.187 -4.608 1.00 0.00 H new ATOM 1059 N THR A 77 7.133 -6.768 -3.722 1.00 0.00 N ATOM 1060 CA THR A 77 7.868 -5.606 -4.190 1.00 0.00 C ATOM 1061 C THR A 77 7.774 -5.494 -5.713 1.00 0.00 C ATOM 1062 O THR A 77 7.885 -6.493 -6.421 1.00 0.00 O ATOM 1063 CB THR A 77 9.305 -5.717 -3.676 1.00 0.00 C ATOM 1064 OG1 THR A 77 9.170 -5.691 -2.258 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.138 -4.474 -3.995 1.00 0.00 C ATOM 0 H THR A 77 7.714 -7.567 -3.470 1.00 0.00 H new ATOM 0 HA THR A 77 7.439 -4.683 -3.800 1.00 0.00 H new ATOM 0 HB THR A 77 9.780 -6.595 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.055 -5.760 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.149 -4.604 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.178 -4.330 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.681 -3.601 -3.529 1.00 0.00 H new ATOM 1073 N ILE A 78 7.569 -4.267 -6.172 1.00 0.00 N ATOM 1074 CA ILE A 78 7.458 -4.012 -7.598 1.00 0.00 C ATOM 1075 C ILE A 78 8.789 -3.465 -8.118 1.00 0.00 C ATOM 1076 O ILE A 78 9.620 -2.999 -7.341 1.00 0.00 O ATOM 1077 CB ILE A 78 6.264 -3.099 -7.887 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.954 -3.759 -7.455 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.238 -2.681 -9.359 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.669 -5.011 -8.287 1.00 0.00 C ATOM 0 H ILE A 78 7.477 -3.440 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 78 7.260 -4.939 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 78 6.377 -2.190 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.008 -4.024 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.133 -3.051 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.380 -2.033 -9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.155 -2.144 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.160 -3.568 -9.988 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.732 -5.460 -7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.592 -4.739 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.480 -5.727 -8.156 1.00 0.00 H new ATOM 1091 N THR A 79 8.951 -3.541 -9.432 1.00 0.00 N ATOM 1092 CA THR A 79 10.167 -3.061 -10.066 1.00 0.00 C ATOM 1093 C THR A 79 9.838 -2.351 -11.381 1.00 0.00 C ATOM 1094 O THR A 79 8.670 -2.183 -11.724 1.00 0.00 O ATOM 1095 CB THR A 79 11.113 -4.251 -10.237 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.261 -5.316 -10.647 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.695 -4.732 -8.906 1.00 0.00 C ATOM 0 H THR A 79 8.260 -3.928 -10.074 1.00 0.00 H new ATOM 0 HA THR A 79 10.668 -2.316 -9.448 1.00 0.00 H new ATOM 0 HB THR A 79 11.925 -3.975 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.794 -6.127 -10.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.359 -5.578 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.256 -3.922 -8.440 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.885 -5.040 -8.245 1.00 0.00 H new ATOM 1105 N GLU A 80 10.891 -1.955 -12.081 1.00 0.00 N ATOM 1106 CA GLU A 80 10.729 -1.268 -13.351 1.00 0.00 C ATOM 1107 C GLU A 80 9.773 -0.085 -13.196 1.00 0.00 C ATOM 1108 O GLU A 80 8.630 -0.141 -13.649 1.00 0.00 O ATOM 1109 CB GLU A 80 10.240 -2.230 -14.436 1.00 0.00 C ATOM 1110 CG GLU A 80 11.339 -3.219 -14.829 1.00 0.00 C ATOM 1111 CD GLU A 80 10.758 -4.412 -15.589 1.00 0.00 C ATOM 1112 OE1 GLU A 80 9.871 -5.075 -15.011 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.214 -4.633 -16.732 1.00 0.00 O ATOM 0 H GLU A 80 11.859 -2.097 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 80 11.701 -0.886 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.367 -2.775 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.924 -1.665 -15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.081 -2.716 -15.448 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.854 -3.569 -13.935 1.00 0.00 H new ATOM 1118 N LEU A 81 10.275 0.960 -12.554 1.00 0.00 N ATOM 1119 CA LEU A 81 9.479 2.156 -12.334 1.00 0.00 C ATOM 1120 C LEU A 81 10.348 3.393 -12.571 1.00 0.00 C ATOM 1121 O LEU A 81 11.410 3.536 -11.967 1.00 0.00 O ATOM 1122 CB LEU A 81 8.829 2.119 -10.949 1.00 0.00 C ATOM 1123 CG LEU A 81 8.028 0.858 -10.618 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.797 0.736 -9.111 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.715 0.821 -11.404 1.00 0.00 C ATOM 0 H LEU A 81 11.223 1.003 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 81 8.656 2.202 -13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.611 2.236 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.168 2.980 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 81 8.612 -0.009 -10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.225 -0.168 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.758 0.684 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.243 1.605 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.165 -0.085 -11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.114 1.694 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.930 0.828 -12.473 1.00 0.00 H new ATOM 1136 N VAL A 82 9.865 4.255 -13.453 1.00 0.00 N ATOM 1137 CA VAL A 82 10.584 5.474 -13.779 1.00 0.00 C ATOM 1138 C VAL A 82 10.352 6.509 -12.676 1.00 0.00 C ATOM 1139 O VAL A 82 9.271 6.567 -12.092 1.00 0.00 O ATOM 1140 CB VAL A 82 10.168 5.975 -15.164 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.669 6.277 -15.210 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.987 7.200 -15.574 1.00 0.00 C ATOM 0 H VAL A 82 8.984 4.133 -13.952 1.00 0.00 H new ATOM 0 HA VAL A 82 11.656 5.282 -13.826 1.00 0.00 H new ATOM 0 HB VAL A 82 10.372 5.181 -15.882 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.400 6.631 -16.205 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.108 5.370 -14.983 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.430 7.045 -14.474 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.671 7.535 -16.562 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.830 8.001 -14.852 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.045 6.938 -15.601 1.00 0.00 H new ATOM 1152 N ILE A 83 11.384 7.301 -12.423 1.00 0.00 N ATOM 1153 CA ILE A 83 11.306 8.330 -11.400 1.00 0.00 C ATOM 1154 C ILE A 83 10.736 9.610 -12.014 1.00 0.00 C ATOM 1155 O ILE A 83 11.458 10.368 -12.659 1.00 0.00 O ATOM 1156 CB ILE A 83 12.668 8.522 -10.729 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.181 7.206 -10.142 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.608 9.633 -9.679 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.635 7.339 -9.687 1.00 0.00 C ATOM 0 H ILE A 83 12.279 7.251 -12.909 1.00 0.00 H new ATOM 0 HA ILE A 83 10.625 8.027 -10.605 1.00 0.00 H new ATOM 0 HB ILE A 83 13.383 8.835 -11.490 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.557 6.913 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.100 6.415 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.588 9.750 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.318 10.569 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.875 9.373 -8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.975 6.390 -9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.260 7.609 -10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.708 8.114 -8.924 1.00 0.00 H new ATOM 1170 N GLY A 84 9.446 9.812 -11.790 1.00 0.00 N ATOM 1171 CA GLY A 84 8.770 10.987 -12.313 1.00 0.00 C ATOM 1172 C GLY A 84 7.338 10.654 -12.738 1.00 0.00 C ATOM 1173 O GLY A 84 6.479 11.532 -12.779 1.00 0.00 O ATOM 0 H GLY A 84 8.851 9.181 -11.253 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.755 11.770 -11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.324 11.380 -13.166 1.00 0.00 H new ATOM 1177 N ASN A 85 7.128 9.382 -13.043 1.00 0.00 N ATOM 1178 CA ASN A 85 5.814 8.922 -13.464 1.00 0.00 C ATOM 1179 C ASN A 85 5.157 8.153 -12.316 1.00 0.00 C ATOM 1180 O ASN A 85 5.825 7.775 -11.355 1.00 0.00 O ATOM 1181 CB ASN A 85 5.919 7.980 -14.664 1.00 0.00 C ATOM 1182 CG ASN A 85 6.167 8.762 -15.955 1.00 0.00 C ATOM 1183 OD1 ASN A 85 6.770 8.057 -16.909 1.00 0.00 O flip ATOM 1184 ND2 ASN A 85 5.833 9.929 -16.078 1.00 0.00 N flip ATOM 0 H ASN A 85 7.844 8.656 -13.007 1.00 0.00 H new ATOM 0 HA ASN A 85 5.223 9.795 -13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.730 7.270 -14.503 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.001 7.400 -14.757 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.374 10.412 -15.306 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.013 10.422 -16.953 1.00 0.00 H new ATOM 1190 N GLU A 86 3.855 7.947 -12.454 1.00 0.00 N ATOM 1191 CA GLU A 86 3.100 7.230 -11.440 1.00 0.00 C ATOM 1192 C GLU A 86 2.368 6.041 -12.066 1.00 0.00 C ATOM 1193 O GLU A 86 2.117 6.025 -13.270 1.00 0.00 O ATOM 1194 CB GLU A 86 2.120 8.163 -10.725 1.00 0.00 C ATOM 1195 CG GLU A 86 1.000 8.608 -11.668 1.00 0.00 C ATOM 1196 CD GLU A 86 1.283 9.999 -12.238 1.00 0.00 C ATOM 1197 OE1 GLU A 86 2.479 10.293 -12.451 1.00 0.00 O ATOM 1198 OE2 GLU A 86 0.297 10.738 -12.448 1.00 0.00 O ATOM 0 H GLU A 86 3.304 8.264 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 86 3.799 6.850 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.692 7.654 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.652 9.037 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.899 7.891 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.051 8.617 -11.132 1.00 0.00 H new ATOM 1203 N TYR A 87 2.046 5.075 -11.219 1.00 0.00 N ATOM 1204 CA TYR A 87 1.347 3.884 -11.673 1.00 0.00 C ATOM 1205 C TYR A 87 0.270 3.464 -10.672 1.00 0.00 C ATOM 1206 O TYR A 87 0.227 3.970 -9.551 1.00 0.00 O ATOM 1207 CB TYR A 87 2.405 2.781 -11.759 1.00 0.00 C ATOM 1208 CG TYR A 87 3.645 3.170 -12.565 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.641 3.925 -11.980 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.770 2.766 -13.879 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.809 4.291 -12.739 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.936 3.130 -14.638 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.899 3.876 -14.031 1.00 0.00 C ATOM 1214 OH TYR A 87 7.001 4.222 -14.748 1.00 0.00 O ATOM 0 H TYR A 87 2.256 5.092 -10.221 1.00 0.00 H new ATOM 0 HA TYR A 87 0.856 4.069 -12.629 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.712 2.506 -10.750 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.956 1.895 -12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.545 4.242 -10.952 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.991 2.176 -14.338 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.595 4.881 -12.292 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.045 2.818 -15.666 1.00 0.00 H new ATOM 0 HH TYR A 87 6.725 4.652 -15.585 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.575 2.542 -11.110 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.650 2.049 -10.267 1.00 0.00 C ATOM 1225 C TYR A 88 -1.514 0.544 -10.030 1.00 0.00 C ATOM 1226 O TYR A 88 -0.865 -0.155 -10.808 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.946 2.318 -11.034 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.480 3.742 -10.872 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.780 4.228 -9.615 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.663 4.541 -11.983 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.283 5.569 -9.463 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.167 5.881 -11.831 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.452 6.329 -10.578 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.926 7.596 -10.435 1.00 0.00 O ATOM 0 H TYR A 88 -0.536 2.123 -12.039 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.631 2.541 -9.294 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.777 2.123 -12.093 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.708 1.615 -10.698 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.638 3.603 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.428 4.161 -12.966 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.521 5.962 -8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.316 6.516 -12.692 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.995 8.021 -11.315 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.136 0.087 -8.953 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.092 -1.322 -8.604 1.00 0.00 C ATOM 1245 C PHE A 89 -3.475 -1.827 -8.185 1.00 0.00 C ATOM 1246 O PHE A 89 -4.245 -1.094 -7.567 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.132 -1.461 -7.422 1.00 0.00 C ATOM 1248 CG PHE A 89 0.199 -0.729 -7.610 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.132 -1.226 -8.466 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.447 0.417 -6.923 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.366 -0.546 -8.641 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.681 1.096 -7.098 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.615 0.601 -7.953 1.00 0.00 C ATOM 0 H PHE A 89 -2.674 0.669 -8.310 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.766 -1.908 -9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.620 -1.081 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.932 -2.519 -7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.934 -2.137 -9.012 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.295 0.811 -6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.107 -0.939 -9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.878 2.006 -6.552 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.554 1.118 -8.086 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.747 -3.075 -8.539 1.00 0.00 N ATOM 1263 CA ARG A 90 -5.023 -3.684 -8.208 1.00 0.00 C ATOM 1264 C ARG A 90 -4.831 -5.162 -7.862 1.00 0.00 C ATOM 1265 O ARG A 90 -4.377 -5.945 -8.696 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.010 -3.565 -9.371 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.973 -2.396 -9.154 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.597 -1.946 -10.477 1.00 0.00 C ATOM 1269 NE ARG A 90 -8.529 -2.982 -10.976 1.00 0.00 N ATOM 1270 CZ ARG A 90 -9.814 -3.075 -10.611 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -10.329 -2.194 -9.742 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -10.585 -4.049 -11.115 1.00 0.00 N ATOM 0 H ARG A 90 -3.105 -3.680 -9.051 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.429 -3.154 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.464 -3.423 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.574 -4.492 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.759 -2.692 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.441 -1.562 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.128 -1.005 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.815 -1.764 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.170 -3.668 -11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.742 -1.453 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.308 -2.265 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.193 -4.719 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.564 -4.120 -10.837 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.184 -5.500 -6.631 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.057 -6.871 -6.164 1.00 0.00 C ATOM 1285 C VAL A 91 -6.416 -7.565 -6.256 1.00 0.00 C ATOM 1286 O VAL A 91 -7.443 -6.974 -5.924 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.469 -6.889 -4.752 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.430 -8.314 -4.194 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.078 -6.253 -4.728 1.00 0.00 C ATOM 0 H VAL A 91 -5.558 -4.848 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.366 -7.428 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.119 -6.294 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.008 -8.300 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.442 -8.718 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.813 -8.940 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.683 -6.279 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.413 -6.808 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.145 -5.218 -5.065 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.380 -8.810 -6.707 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.598 -9.592 -6.846 1.00 0.00 C ATOM 1301 C PHE A 92 -7.566 -10.823 -5.938 1.00 0.00 C ATOM 1302 O PHE A 92 -6.559 -11.091 -5.285 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.672 -10.049 -8.304 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.502 -8.918 -9.321 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.288 -8.328 -9.487 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.567 -8.502 -10.059 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.131 -7.279 -10.430 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.409 -7.453 -11.002 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.195 -6.863 -11.168 1.00 0.00 C ATOM 0 H PHE A 92 -5.527 -9.297 -6.981 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.461 -8.989 -6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.901 -10.799 -8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.633 -10.535 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.443 -8.658 -8.901 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.532 -8.970 -9.927 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.167 -6.811 -10.562 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.254 -7.123 -11.588 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.076 -6.065 -11.885 1.00 0.00 H new ATOM 1318 N SER A 93 -8.680 -11.539 -5.927 1.00 0.00 N ATOM 1319 CA SER A 93 -8.792 -12.736 -5.111 1.00 0.00 C ATOM 1320 C SER A 93 -8.958 -13.966 -6.005 1.00 0.00 C ATOM 1321 O SER A 93 -9.801 -13.977 -6.901 1.00 0.00 O ATOM 1322 CB SER A 93 -9.964 -12.628 -4.134 1.00 0.00 C ATOM 1323 OG SER A 93 -9.866 -11.471 -3.308 1.00 0.00 O ATOM 0 H SER A 93 -9.513 -11.313 -6.470 1.00 0.00 H new ATOM 0 HA SER A 93 -7.876 -12.840 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.900 -12.597 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.997 -13.519 -3.507 1.00 0.00 H new ATOM 0 HG SER A 93 -10.758 -11.088 -3.175 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.140 -14.973 -5.731 1.00 0.00 N ATOM 1329 CA GLU A 94 -8.186 -16.204 -6.499 1.00 0.00 C ATOM 1330 C GLU A 94 -8.485 -17.392 -5.582 1.00 0.00 C ATOM 1331 O GLU A 94 -8.285 -17.310 -4.371 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.881 -16.420 -7.269 1.00 0.00 C ATOM 1333 CG GLU A 94 -7.052 -16.072 -8.748 1.00 0.00 C ATOM 1334 CD GLU A 94 -7.031 -17.333 -9.614 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.148 -18.180 -9.362 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.900 -17.421 -10.508 1.00 0.00 O ATOM 0 H GLU A 94 -7.442 -14.960 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.991 -16.123 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.093 -15.804 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.564 -17.458 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.993 -15.542 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.255 -15.398 -9.061 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.958 -18.467 -6.194 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.285 -19.670 -5.448 1.00 0.00 C ATOM 1343 C ASN A 95 -9.681 -20.779 -6.423 1.00 0.00 C ATOM 1344 O ASN A 95 -8.981 -21.784 -6.542 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.466 -19.428 -4.505 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.428 -18.390 -5.085 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.075 -17.249 -5.335 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.661 -18.847 -5.285 1.00 0.00 N ATOM 0 H ASN A 95 -9.123 -18.530 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.408 -19.954 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.997 -20.365 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.099 -19.088 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.377 -18.231 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.890 -19.814 -5.054 1.00 0.00 H new ATOM 1354 N MET A 96 -10.800 -20.560 -7.098 1.00 0.00 N ATOM 1355 CA MET A 96 -11.296 -21.529 -8.060 1.00 0.00 C ATOM 1356 C MET A 96 -12.060 -20.837 -9.191 1.00 0.00 C ATOM 1357 O MET A 96 -11.756 -21.041 -10.365 1.00 0.00 O ATOM 1358 CB MET A 96 -12.219 -22.524 -7.353 1.00 0.00 C ATOM 1359 CG MET A 96 -11.473 -23.277 -6.251 1.00 0.00 C ATOM 1360 SD MET A 96 -12.300 -24.818 -5.895 1.00 0.00 S ATOM 1361 CE MET A 96 -11.006 -25.667 -5.006 1.00 0.00 C ATOM 0 H MET A 96 -11.377 -19.725 -6.997 1.00 0.00 H new ATOM 0 HA MET A 96 -10.444 -22.054 -8.491 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.070 -21.995 -6.924 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.617 -23.234 -8.078 1.00 0.00 H new ATOM 0 HG2 MET A 96 -10.446 -23.470 -6.562 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.424 -22.665 -5.350 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.357 -26.655 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.132 -25.772 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.738 -25.094 -4.119 1.00 0.00 H new ATOM 1369 N CYS A 97 -13.037 -20.035 -8.796 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.847 -19.312 -9.763 1.00 0.00 C ATOM 1371 C CYS A 97 -12.910 -18.633 -10.763 1.00 0.00 C ATOM 1372 O CYS A 97 -12.932 -18.948 -11.952 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.778 -18.307 -9.081 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.517 -18.662 -9.528 1.00 0.00 S ATOM 0 H CYS A 97 -13.286 -19.869 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.496 -20.010 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.654 -18.360 -7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.516 -17.293 -9.383 1.00 0.00 H new ATOM 0 HG CYS A 97 -17.299 -17.805 -8.942 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.109 -17.714 -10.245 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.165 -16.988 -11.078 1.00 0.00 C ATOM 1381 C GLY A 98 -10.677 -15.719 -10.377 1.00 0.00 C ATOM 1382 O GLY A 98 -10.262 -15.766 -9.220 1.00 0.00 O ATOM 0 H GLY A 98 -12.094 -17.455 -9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.314 -17.628 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.637 -16.726 -12.025 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.744 -14.615 -11.106 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.314 -13.335 -10.568 1.00 0.00 C ATOM 1388 C LEU A 99 -11.542 -12.529 -10.139 1.00 0.00 C ATOM 1389 O LEU A 99 -12.558 -12.523 -10.833 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.419 -12.605 -11.572 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.033 -13.211 -11.800 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.200 -13.170 -10.517 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.140 -14.628 -12.368 1.00 0.00 C ATOM 0 H LEU A 99 -11.090 -14.580 -12.065 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.702 -13.482 -9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.938 -12.565 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.293 -11.576 -11.235 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.513 -12.605 -12.542 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.219 -13.607 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.081 -12.136 -10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.706 -13.738 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.141 -15.035 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.687 -15.260 -11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.669 -14.599 -13.320 1.00 0.00 H new ATOM 1404 N SER A 100 -11.407 -11.869 -8.998 1.00 0.00 N ATOM 1405 CA SER A 100 -12.493 -11.062 -8.468 1.00 0.00 C ATOM 1406 C SER A 100 -12.938 -10.034 -9.512 1.00 0.00 C ATOM 1407 O SER A 100 -12.140 -9.212 -9.957 1.00 0.00 O ATOM 1408 CB SER A 100 -12.076 -10.359 -7.175 1.00 0.00 C ATOM 1409 OG SER A 100 -10.726 -9.904 -7.226 1.00 0.00 O ATOM 0 H SER A 100 -10.562 -11.877 -8.426 1.00 0.00 H new ATOM 0 HA SER A 100 -13.329 -11.722 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.737 -9.512 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.196 -11.043 -6.335 1.00 0.00 H new ATOM 0 HG SER A 100 -10.630 -9.102 -6.672 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.211 -10.116 -9.870 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.772 -9.204 -10.852 1.00 0.00 C ATOM 1416 C GLU A 101 -14.204 -7.796 -10.654 1.00 0.00 C ATOM 1417 O GLU A 101 -13.760 -7.164 -11.610 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.301 -9.193 -10.780 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.914 -9.711 -12.083 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.857 -8.674 -12.694 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.011 -8.604 -12.217 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -17.404 -7.973 -13.625 1.00 0.00 O ATOM 0 H GLU A 101 -14.870 -10.800 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.490 -9.553 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.634 -9.811 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.652 -8.180 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.122 -9.950 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.459 -10.635 -11.891 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.238 -7.349 -9.407 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.732 -6.029 -9.072 1.00 0.00 C ATOM 1429 C ASP A 102 -12.461 -6.172 -8.234 1.00 0.00 C ATOM 1430 O ASP A 102 -12.307 -7.143 -7.494 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.754 -5.240 -8.252 1.00 0.00 C ATOM 1432 CG ASP A 102 -16.217 -5.593 -8.528 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.704 -6.541 -7.874 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.814 -4.908 -9.386 1.00 0.00 O ATOM 0 H ASP A 102 -14.608 -7.877 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.530 -5.499 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.551 -5.402 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.610 -4.177 -8.446 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.583 -5.190 -8.375 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.330 -5.195 -7.639 1.00 0.00 C ATOM 1440 C ALA A 103 -10.217 -3.905 -6.825 1.00 0.00 C ATOM 1441 O ALA A 103 -10.593 -2.833 -7.297 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.165 -5.371 -8.615 1.00 0.00 C ATOM 0 H ALA A 103 -11.714 -4.385 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.299 -6.031 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.225 -5.375 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.276 -6.315 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.162 -4.549 -9.330 1.00 0.00 H new ATOM 1448 N THR A 104 -9.699 -4.051 -5.615 1.00 0.00 N ATOM 1449 CA THR A 104 -9.532 -2.911 -4.729 1.00 0.00 C ATOM 1450 C THR A 104 -8.241 -2.160 -5.063 1.00 0.00 C ATOM 1451 O THR A 104 -7.151 -2.600 -4.700 1.00 0.00 O ATOM 1452 CB THR A 104 -9.583 -3.420 -3.287 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.926 -3.867 -3.124 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.439 -2.292 -2.262 1.00 0.00 C ATOM 0 H THR A 104 -9.389 -4.942 -5.227 1.00 0.00 H new ATOM 0 HA THR A 104 -10.336 -2.187 -4.862 1.00 0.00 H new ATOM 0 HB THR A 104 -8.792 -4.154 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.984 -4.448 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.482 -2.708 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.483 -1.789 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.250 -1.575 -2.393 1.00 0.00 H new ATOM 1462 N MET A 105 -8.407 -1.040 -5.752 1.00 0.00 N ATOM 1463 CA MET A 105 -7.269 -0.225 -6.139 1.00 0.00 C ATOM 1464 C MET A 105 -6.813 0.666 -4.981 1.00 0.00 C ATOM 1465 O MET A 105 -7.638 1.207 -4.248 1.00 0.00 O ATOM 1466 CB MET A 105 -7.651 0.650 -7.336 1.00 0.00 C ATOM 1467 CG MET A 105 -6.410 1.281 -7.971 1.00 0.00 C ATOM 1468 SD MET A 105 -6.738 2.986 -8.386 1.00 0.00 S ATOM 1469 CE MET A 105 -6.790 2.866 -10.166 1.00 0.00 C ATOM 0 H MET A 105 -9.312 -0.678 -6.052 1.00 0.00 H new ATOM 0 HA MET A 105 -6.447 -0.888 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.178 0.049 -8.077 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.338 1.433 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.568 1.221 -7.281 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.128 0.728 -8.867 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.737 3.865 -10.600 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.945 2.273 -10.516 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.720 2.387 -10.471 1.00 0.00 H new ATOM 1477 N THR A 106 -5.500 0.789 -4.853 1.00 0.00 N ATOM 1478 CA THR A 106 -4.924 1.604 -3.797 1.00 0.00 C ATOM 1479 C THR A 106 -5.646 2.950 -3.709 1.00 0.00 C ATOM 1480 O THR A 106 -5.731 3.679 -4.696 1.00 0.00 O ATOM 1481 CB THR A 106 -3.424 1.736 -4.067 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.350 2.123 -5.436 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.700 0.389 -4.021 1.00 0.00 C ATOM 0 H THR A 106 -4.819 0.338 -5.463 1.00 0.00 H new ATOM 0 HA THR A 106 -5.053 1.136 -2.821 1.00 0.00 H new ATOM 0 HB THR A 106 -2.982 2.411 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.150 3.081 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.639 0.539 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.825 -0.058 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.120 -0.276 -4.776 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.149 3.239 -2.517 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.860 4.483 -2.286 1.00 0.00 C ATOM 1493 C LYS A 107 -6.118 5.627 -2.980 1.00 0.00 C ATOM 1494 O LYS A 107 -6.740 6.561 -3.485 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.075 4.709 -0.789 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.558 4.602 -0.425 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.187 5.988 -0.274 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.069 6.057 0.974 1.00 0.00 C ATOM 1499 NZ LYS A 107 -9.242 6.272 2.183 1.00 0.00 N ATOM 0 H LYS A 107 -6.077 2.631 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.857 4.437 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.504 3.975 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.698 5.692 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.086 4.041 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.668 4.045 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.403 6.742 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.782 6.219 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.791 6.867 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.638 5.133 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.857 6.316 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.570 5.486 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.718 7.165 2.091 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.797 5.516 -2.984 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.963 6.529 -3.607 1.00 0.00 C ATOM 1511 C GLU A 108 -2.995 5.882 -4.601 1.00 0.00 C ATOM 1512 O GLU A 108 -2.808 4.667 -4.588 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.206 7.341 -2.554 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.160 8.240 -1.766 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.812 9.716 -1.965 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.589 10.094 -3.136 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.778 10.435 -0.943 1.00 0.00 O ATOM 0 H GLU A 108 -4.284 4.740 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.608 7.217 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.689 6.666 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.443 7.950 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.186 8.058 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.109 7.990 -0.706 1.00 0.00 H new ATOM 1522 N SER A 109 -2.405 6.723 -5.437 1.00 0.00 N ATOM 1523 CA SER A 109 -1.462 6.249 -6.434 1.00 0.00 C ATOM 1524 C SER A 109 -0.039 6.302 -5.876 1.00 0.00 C ATOM 1525 O SER A 109 0.186 6.836 -4.790 1.00 0.00 O ATOM 1526 CB SER A 109 -1.559 7.072 -7.721 1.00 0.00 C ATOM 1527 OG SER A 109 -1.100 8.408 -7.536 1.00 0.00 O ATOM 0 H SER A 109 -2.562 7.731 -5.444 1.00 0.00 H new ATOM 0 HA SER A 109 -1.712 5.216 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.971 6.592 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.594 7.088 -8.064 1.00 0.00 H new ATOM 0 HG SER A 109 -1.176 8.900 -8.380 1.00 0.00 H new ATOM 1532 N ALA A 110 0.886 5.745 -6.644 1.00 0.00 N ATOM 1533 CA ALA A 110 2.281 5.723 -6.239 1.00 0.00 C ATOM 1534 C ALA A 110 3.099 6.593 -7.196 1.00 0.00 C ATOM 1535 O ALA A 110 3.188 6.298 -8.387 1.00 0.00 O ATOM 1536 CB ALA A 110 2.779 4.276 -6.197 1.00 0.00 C ATOM 0 H ALA A 110 0.696 5.305 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 110 2.396 6.136 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.826 4.260 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.185 3.707 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.682 3.829 -7.186 1.00 0.00 H new ATOM 1542 N VAL A 111 3.675 7.649 -6.640 1.00 0.00 N ATOM 1543 CA VAL A 111 4.482 8.563 -7.430 1.00 0.00 C ATOM 1544 C VAL A 111 5.961 8.337 -7.110 1.00 0.00 C ATOM 1545 O VAL A 111 6.425 8.679 -6.023 1.00 0.00 O ATOM 1546 CB VAL A 111 4.032 10.005 -7.184 1.00 0.00 C ATOM 1547 CG1 VAL A 111 3.386 10.598 -8.437 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.082 10.085 -5.987 1.00 0.00 C ATOM 0 H VAL A 111 3.599 7.892 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 111 4.346 8.370 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 111 4.916 10.598 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.075 11.623 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.106 10.591 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.516 10.003 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.777 11.120 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.202 9.472 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.590 9.720 -5.094 1.00 0.00 H new ATOM 1558 N ILE A 112 6.661 7.761 -8.076 1.00 0.00 N ATOM 1559 CA ILE A 112 8.078 7.485 -7.912 1.00 0.00 C ATOM 1560 C ILE A 112 8.818 8.793 -7.626 1.00 0.00 C ATOM 1561 O ILE A 112 8.787 9.717 -8.436 1.00 0.00 O ATOM 1562 CB ILE A 112 8.621 6.724 -9.124 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.767 5.489 -9.423 1.00 0.00 C ATOM 1564 CG2 ILE A 112 10.096 6.369 -8.933 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.427 4.733 -8.136 1.00 0.00 C ATOM 0 H ILE A 112 6.273 7.478 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 112 8.241 6.831 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 112 8.558 7.377 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.848 5.791 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.302 4.829 -10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.457 5.829 -9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.677 7.283 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.208 5.742 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.820 3.860 -8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.348 4.412 -7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.871 5.388 -7.465 1.00 0.00 H new ATOM 1576 N ALA A 113 9.467 8.828 -6.470 1.00 0.00 N ATOM 1577 CA ALA A 113 10.213 10.007 -6.068 1.00 0.00 C ATOM 1578 C ALA A 113 11.617 9.590 -5.624 1.00 0.00 C ATOM 1579 O ALA A 113 12.385 10.413 -5.128 1.00 0.00 O ATOM 1580 CB ALA A 113 9.448 10.744 -4.966 1.00 0.00 C ATOM 0 H ALA A 113 9.491 8.059 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 113 10.323 10.696 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.008 11.629 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.469 11.044 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.321 10.084 -4.107 1.00 0.00 H new ATOM 1586 N ARG A 114 11.908 8.312 -5.816 1.00 0.00 N ATOM 1587 CA ARG A 114 13.206 7.775 -5.443 1.00 0.00 C ATOM 1588 C ARG A 114 13.437 7.947 -3.939 1.00 0.00 C ATOM 1589 O ARG A 114 14.574 7.885 -3.472 1.00 0.00 O ATOM 1590 CB ARG A 114 14.332 8.473 -6.208 1.00 0.00 C ATOM 1591 CG ARG A 114 15.684 7.824 -5.905 1.00 0.00 C ATOM 1592 CD ARG A 114 16.648 8.832 -5.277 1.00 0.00 C ATOM 1593 NE ARG A 114 17.510 8.157 -4.283 1.00 0.00 N ATOM 1594 CZ ARG A 114 18.447 7.250 -4.594 1.00 0.00 C ATOM 1595 NH1 ARG A 114 18.648 6.907 -5.873 1.00 0.00 N ATOM 1596 NH2 ARG A 114 19.184 6.688 -3.626 1.00 0.00 N ATOM 0 H ARG A 114 11.267 7.632 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 114 13.213 6.715 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 114 14.133 8.425 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 114 14.362 9.528 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.543 6.981 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 114 16.115 7.427 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 114 17.263 9.291 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.087 9.635 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 114 17.384 8.396 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 114 18.088 7.336 -6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.361 6.217 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.032 6.950 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 114 19.897 5.998 -3.863 1.00 0.00 H new ATOM 1607 N ASP A 115 12.343 8.159 -3.225 1.00 0.00 N ATOM 1608 CA ASP A 115 12.412 8.340 -1.784 1.00 0.00 C ATOM 1609 C ASP A 115 11.031 8.089 -1.176 1.00 0.00 C ATOM 1610 O ASP A 115 10.020 8.531 -1.719 1.00 0.00 O ATOM 1611 CB ASP A 115 12.834 9.767 -1.429 1.00 0.00 C ATOM 1612 CG ASP A 115 13.531 9.916 -0.075 1.00 0.00 C ATOM 1613 OD1 ASP A 115 13.516 8.922 0.683 1.00 0.00 O ATOM 1614 OD2 ASP A 115 14.061 11.020 0.172 1.00 0.00 O ATOM 0 H ASP A 115 11.402 8.210 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 115 13.147 7.638 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.502 10.137 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.950 10.404 -1.438 1.00 0.00 H new ATOM 1618 N GLY A 116 11.032 7.381 -0.056 1.00 0.00 N ATOM 1619 CA GLY A 116 9.792 7.066 0.631 1.00 0.00 C ATOM 1620 C GLY A 116 9.762 7.699 2.024 1.00 0.00 C ATOM 1621 O GLY A 116 10.806 8.041 2.577 1.00 0.00 O ATOM 0 H GLY A 116 11.873 7.017 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.946 7.426 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.684 5.985 0.716 1.00 0.00 H new ATOM 1625 N LYS A 117 8.555 7.834 2.552 1.00 0.00 N ATOM 1626 CA LYS A 117 8.375 8.419 3.870 1.00 0.00 C ATOM 1627 C LYS A 117 7.932 7.331 4.850 1.00 0.00 C ATOM 1628 O LYS A 117 7.659 6.201 4.448 1.00 0.00 O ATOM 1629 CB LYS A 117 7.419 9.612 3.801 1.00 0.00 C ATOM 1630 CG LYS A 117 8.136 10.911 4.174 1.00 0.00 C ATOM 1631 CD LYS A 117 8.458 10.951 5.668 1.00 0.00 C ATOM 1632 CE LYS A 117 9.004 12.321 6.075 1.00 0.00 C ATOM 1633 NZ LYS A 117 9.995 12.181 7.166 1.00 0.00 N ATOM 0 H LYS A 117 7.691 7.548 2.091 1.00 0.00 H new ATOM 0 HA LYS A 117 9.319 8.818 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.008 9.695 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.579 9.449 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.057 11.000 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.511 11.764 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.559 10.728 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.189 10.179 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.467 12.805 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.185 12.964 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.356 13.120 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.542 11.739 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.784 11.585 6.844 1.00 0.00 H new ATOM 1643 N ILE A 118 7.872 7.710 6.119 1.00 0.00 N ATOM 1644 CA ILE A 118 7.466 6.782 7.159 1.00 0.00 C ATOM 1645 C ILE A 118 6.360 7.419 8.003 1.00 0.00 C ATOM 1646 O ILE A 118 6.612 8.353 8.761 1.00 0.00 O ATOM 1647 CB ILE A 118 8.678 6.329 7.976 1.00 0.00 C ATOM 1648 CG1 ILE A 118 9.528 5.331 7.188 1.00 0.00 C ATOM 1649 CG2 ILE A 118 8.246 5.767 9.332 1.00 0.00 C ATOM 1650 CD1 ILE A 118 11.021 5.582 7.414 1.00 0.00 C ATOM 0 H ILE A 118 8.098 8.648 6.449 1.00 0.00 H new ATOM 0 HA ILE A 118 7.050 5.876 6.719 1.00 0.00 H new ATOM 0 HB ILE A 118 9.303 7.201 8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.277 4.315 7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.299 5.412 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.126 5.452 9.893 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.715 6.536 9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.589 4.911 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.602 4.859 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.274 6.591 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.251 5.476 8.474 1.00 0.00 H new ATOM 1661 N TYR A 119 5.157 6.887 7.842 1.00 0.00 N ATOM 1662 CA TYR A 119 4.011 7.392 8.579 1.00 0.00 C ATOM 1663 C TYR A 119 3.249 6.252 9.257 1.00 0.00 C ATOM 1664 O TYR A 119 3.073 5.185 8.672 1.00 0.00 O ATOM 1665 CB TYR A 119 3.100 8.052 7.542 1.00 0.00 C ATOM 1666 CG TYR A 119 1.635 8.151 7.974 1.00 0.00 C ATOM 1667 CD1 TYR A 119 0.785 7.080 7.782 1.00 0.00 C ATOM 1668 CD2 TYR A 119 1.163 9.311 8.553 1.00 0.00 C ATOM 1669 CE1 TYR A 119 -0.593 7.173 8.189 1.00 0.00 C ATOM 1670 CE2 TYR A 119 -0.214 9.405 8.959 1.00 0.00 C ATOM 1671 CZ TYR A 119 -1.025 8.331 8.757 1.00 0.00 C ATOM 1672 OH TYR A 119 -2.327 8.420 9.140 1.00 0.00 O ATOM 0 H TYR A 119 4.951 6.112 7.212 1.00 0.00 H new ATOM 0 HA TYR A 119 4.331 8.086 9.357 1.00 0.00 H new ATOM 0 HB2 TYR A 119 3.474 9.054 7.330 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.156 7.487 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 119 1.154 6.173 7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 119 1.828 10.149 8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -1.268 6.342 8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -0.595 10.307 9.414 1.00 0.00 H new ATOM 0 HH TYR A 119 -2.493 9.303 9.531 1.00 0.00 H new ATOM 1681 N LYS A 120 2.818 6.516 10.482 1.00 0.00 N ATOM 1682 CA LYS A 120 2.080 5.525 11.245 1.00 0.00 C ATOM 1683 C LYS A 120 0.872 5.056 10.432 1.00 0.00 C ATOM 1684 O LYS A 120 0.929 4.021 9.771 1.00 0.00 O ATOM 1685 CB LYS A 120 1.714 6.076 12.626 1.00 0.00 C ATOM 1686 CG LYS A 120 1.132 4.979 13.518 1.00 0.00 C ATOM 1687 CD LYS A 120 -0.066 5.498 14.316 1.00 0.00 C ATOM 1688 CE LYS A 120 -1.151 4.427 14.436 1.00 0.00 C ATOM 1689 NZ LYS A 120 -1.950 4.634 15.664 1.00 0.00 N ATOM 0 H LYS A 120 2.966 7.402 10.965 1.00 0.00 H new ATOM 0 HA LYS A 120 2.700 4.648 11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 120 2.600 6.501 13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.991 6.884 12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 120 0.825 4.132 12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.899 4.616 14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.260 5.803 15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.476 6.383 13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.801 4.460 13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.693 3.438 14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.682 3.898 15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -1.328 4.579 16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.402 5.570 15.630 1.00 0.00 H new TER 1699 LYS A 120