USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 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 84 HIS :FLIP no HE2:sc= -1.14 F(o=-4.8,f=-2.9) USER MOD Set 1.2: A 99 MET CE :methyl 141:sc= -1.77 (180deg=-4.52!) USER MOD Set 2.1: A 30 HIS :FLIP no HD1:sc= 0.32 F(o=-0.21,f=0.58) USER MOD Set 2.2: A 38 CYS SG : rot -179:sc= 0.259 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -20:sc= 1.9 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.025 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 47:sc= 0.0522 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.7!) USER MOD Single : A 29 CYS SG : rot -41:sc= -5.56! USER MOD Single : A 32 HIS : no HD1:sc= -6.36! C(o=-6.4!,f=-6.4!) USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.0389 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.000569 X(o=-0.00057,f=0) USER MOD Single : A 42 SER OG : rot -79:sc= 0.35 USER MOD Single : A 51 GLN : amide:sc= -6! C(o=-6!,f=-6.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.812 USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.276 (180deg=-1.42) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= -0.924 (180deg=-4.21!) USER MOD Single : A 65 MET CE :methyl -106:sc= -3.1! (180deg=-6.82!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.703 F(o=-1.7,f=-0.7) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -2.04! C(o=-2.6!,f=-2!) USER MOD Single : A 76 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.1!) USER MOD Single : A 86 SER OG : rot 68:sc= 0.671 USER MOD Single : A 88 MET CE :methyl -151:sc= -1.03 (180deg=-4.63!) USER MOD Single : A 91 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-7.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -63:sc= 0.993 USER MOD Single : A 97 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.099) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.838) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -150:sc= -0.123 USER MOD Single : A 116 SER OG : rot 16:sc= 0.411 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.524 14.183 -7.249 1.00 0.00 N ATOM 2 CA GLY A 1 -32.154 14.454 -7.648 1.00 0.00 C ATOM 3 C GLY A 1 -31.470 15.398 -6.656 1.00 0.00 C ATOM 4 O GLY A 1 -31.387 15.098 -5.466 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.966 13.541 -7.938 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.530 13.739 -6.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.058 15.075 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.597 13.519 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.142 14.897 -8.644 1.00 0.00 H new ATOM 8 N SER A 2 -31.000 16.519 -7.182 1.00 0.00 N ATOM 9 CA SER A 2 -30.326 17.507 -6.357 1.00 0.00 C ATOM 10 C SER A 2 -29.115 16.877 -5.668 1.00 0.00 C ATOM 11 O SER A 2 -29.267 16.013 -4.805 1.00 0.00 O ATOM 12 CB SER A 2 -31.280 18.099 -5.318 1.00 0.00 C ATOM 13 OG SER A 2 -31.368 17.287 -4.151 1.00 0.00 O ATOM 0 H SER A 2 -31.072 16.765 -8.169 1.00 0.00 H new ATOM 0 HA SER A 2 -29.986 18.317 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.940 19.097 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.271 18.211 -5.758 1.00 0.00 H new ATOM 0 HG SER A 2 -31.062 16.380 -4.360 1.00 0.00 H new ATOM 19 N SER A 3 -27.939 17.332 -6.075 1.00 0.00 N ATOM 20 CA SER A 3 -26.702 16.823 -5.507 1.00 0.00 C ATOM 21 C SER A 3 -25.675 17.951 -5.395 1.00 0.00 C ATOM 22 O SER A 3 -25.692 18.892 -6.187 1.00 0.00 O ATOM 23 CB SER A 3 -26.141 15.675 -6.348 1.00 0.00 C ATOM 24 OG SER A 3 -26.088 16.005 -7.733 1.00 0.00 O ATOM 0 H SER A 3 -27.817 18.048 -6.791 1.00 0.00 H new ATOM 0 HA SER A 3 -26.917 16.436 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.140 15.423 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.760 14.788 -6.210 1.00 0.00 H new ATOM 0 HG SER A 3 -25.723 15.247 -8.236 1.00 0.00 H new ATOM 30 N GLY A 4 -24.804 17.819 -4.406 1.00 0.00 N ATOM 31 CA GLY A 4 -23.770 18.816 -4.181 1.00 0.00 C ATOM 32 C GLY A 4 -22.766 18.337 -3.130 1.00 0.00 C ATOM 33 O GLY A 4 -22.709 17.148 -2.818 1.00 0.00 O ATOM 0 H GLY A 4 -24.792 17.037 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.251 19.024 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.226 19.751 -3.854 1.00 0.00 H new ATOM 37 N SER A 5 -22.000 19.286 -2.614 1.00 0.00 N ATOM 38 CA SER A 5 -21.001 18.976 -1.605 1.00 0.00 C ATOM 39 C SER A 5 -20.765 20.195 -0.711 1.00 0.00 C ATOM 40 O SER A 5 -21.043 21.325 -1.109 1.00 0.00 O ATOM 41 CB SER A 5 -19.688 18.528 -2.250 1.00 0.00 C ATOM 42 OG SER A 5 -19.576 17.108 -2.301 1.00 0.00 O ATOM 0 H SER A 5 -22.051 20.271 -2.876 1.00 0.00 H new ATOM 0 HA SER A 5 -21.374 18.153 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.623 18.933 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.849 18.938 -1.687 1.00 0.00 H new ATOM 0 HG SER A 5 -20.456 16.717 -2.481 1.00 0.00 H new ATOM 48 N SER A 6 -20.253 19.924 0.481 1.00 0.00 N ATOM 49 CA SER A 6 -19.976 20.985 1.435 1.00 0.00 C ATOM 50 C SER A 6 -18.970 20.498 2.480 1.00 0.00 C ATOM 51 O SER A 6 -17.825 20.947 2.501 1.00 0.00 O ATOM 52 CB SER A 6 -21.260 21.463 2.115 1.00 0.00 C ATOM 53 OG SER A 6 -22.326 20.530 1.959 1.00 0.00 O ATOM 0 H SER A 6 -20.023 18.986 0.808 1.00 0.00 H new ATOM 0 HA SER A 6 -19.548 21.829 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.070 21.623 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.556 22.425 1.696 1.00 0.00 H new ATOM 0 HG SER A 6 -23.127 20.871 2.408 1.00 0.00 H new ATOM 59 N GLY A 7 -19.435 19.587 3.323 1.00 0.00 N ATOM 60 CA GLY A 7 -18.590 19.035 4.368 1.00 0.00 C ATOM 61 C GLY A 7 -18.118 17.626 4.005 1.00 0.00 C ATOM 62 O GLY A 7 -18.874 16.664 4.124 1.00 0.00 O ATOM 0 H GLY A 7 -20.386 19.218 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.727 19.683 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.140 19.007 5.309 1.00 0.00 H new ATOM 66 N VAL A 8 -16.869 17.549 3.568 1.00 0.00 N ATOM 67 CA VAL A 8 -16.287 16.274 3.187 1.00 0.00 C ATOM 68 C VAL A 8 -14.782 16.302 3.463 1.00 0.00 C ATOM 69 O VAL A 8 -14.217 17.360 3.734 1.00 0.00 O ATOM 70 CB VAL A 8 -16.621 15.962 1.726 1.00 0.00 C ATOM 71 CG1 VAL A 8 -15.853 16.887 0.779 1.00 0.00 C ATOM 72 CG2 VAL A 8 -16.344 14.493 1.402 1.00 0.00 C ATOM 0 H VAL A 8 -16.244 18.349 3.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.712 15.467 3.784 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.686 16.142 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.108 16.645 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.121 17.923 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.782 16.753 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.590 14.298 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.290 14.275 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.955 13.858 2.043 1.00 0.00 H new ATOM 82 N ILE A 9 -14.176 15.126 3.384 1.00 0.00 N ATOM 83 CA ILE A 9 -12.748 15.003 3.622 1.00 0.00 C ATOM 84 C ILE A 9 -12.465 15.202 5.113 1.00 0.00 C ATOM 85 O ILE A 9 -12.973 14.456 5.949 1.00 0.00 O ATOM 86 CB ILE A 9 -11.969 15.958 2.716 1.00 0.00 C ATOM 87 CG1 ILE A 9 -12.456 15.860 1.268 1.00 0.00 C ATOM 88 CG2 ILE A 9 -10.463 15.718 2.832 1.00 0.00 C ATOM 89 CD1 ILE A 9 -12.117 17.131 0.488 1.00 0.00 C ATOM 0 H ILE A 9 -14.648 14.250 3.159 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.404 14.002 3.362 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.159 16.978 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.996 14.998 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.534 15.697 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.933 16.410 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.147 15.879 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.234 14.694 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.474 17.035 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.598 17.987 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.037 17.278 0.484 1.00 0.00 H new ATOM 101 N GLU A 10 -11.656 16.211 5.399 1.00 0.00 N ATOM 102 CA GLU A 10 -11.299 16.517 6.774 1.00 0.00 C ATOM 103 C GLU A 10 -11.089 15.226 7.568 1.00 0.00 C ATOM 104 O GLU A 10 -12.028 14.698 8.162 1.00 0.00 O ATOM 105 CB GLU A 10 -12.362 17.398 7.433 1.00 0.00 C ATOM 106 CG GLU A 10 -12.697 18.604 6.553 1.00 0.00 C ATOM 107 CD GLU A 10 -11.751 19.772 6.839 1.00 0.00 C ATOM 108 OE1 GLU A 10 -11.891 20.360 7.934 1.00 0.00 O ATOM 109 OE2 GLU A 10 -10.910 20.050 5.958 1.00 0.00 O ATOM 0 H GLU A 10 -11.237 16.827 4.702 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.363 17.075 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.264 16.813 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.005 17.740 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.626 18.323 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.727 18.914 6.731 1.00 0.00 H new ATOM 116 N SER A 11 -9.851 14.755 7.552 1.00 0.00 N ATOM 117 CA SER A 11 -9.505 13.535 8.263 1.00 0.00 C ATOM 118 C SER A 11 -7.989 13.453 8.455 1.00 0.00 C ATOM 119 O SER A 11 -7.512 13.212 9.562 1.00 0.00 O ATOM 120 CB SER A 11 -10.013 12.300 7.517 1.00 0.00 C ATOM 121 OG SER A 11 -11.163 11.735 8.141 1.00 0.00 O ATOM 0 H SER A 11 -9.075 15.196 7.058 1.00 0.00 H new ATOM 0 HA SER A 11 -9.988 13.560 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.255 12.571 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.221 11.552 7.472 1.00 0.00 H new ATOM 0 HG SER A 11 -11.802 12.447 8.354 1.00 0.00 H new ATOM 127 N GLU A 12 -7.274 13.659 7.358 1.00 0.00 N ATOM 128 CA GLU A 12 -5.822 13.612 7.392 1.00 0.00 C ATOM 129 C GLU A 12 -5.346 12.208 7.771 1.00 0.00 C ATOM 130 O GLU A 12 -5.753 11.667 8.798 1.00 0.00 O ATOM 131 CB GLU A 12 -5.261 14.660 8.355 1.00 0.00 C ATOM 132 CG GLU A 12 -5.446 16.072 7.796 1.00 0.00 C ATOM 133 CD GLU A 12 -5.751 17.069 8.916 1.00 0.00 C ATOM 134 OE1 GLU A 12 -4.863 17.243 9.778 1.00 0.00 O ATOM 135 OE2 GLU A 12 -6.865 17.635 8.884 1.00 0.00 O ATOM 0 H GLU A 12 -7.673 13.859 6.441 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.447 13.846 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.762 14.578 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.202 14.470 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.544 16.379 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.259 16.076 7.069 1.00 0.00 H new ATOM 142 N THR A 13 -4.490 11.658 6.922 1.00 0.00 N ATOM 143 CA THR A 13 -3.954 10.328 7.155 1.00 0.00 C ATOM 144 C THR A 13 -2.510 10.415 7.652 1.00 0.00 C ATOM 145 O THR A 13 -1.734 11.241 7.174 1.00 0.00 O ATOM 146 CB THR A 13 -4.105 9.524 5.862 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.466 9.102 5.872 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.309 8.218 5.889 1.00 0.00 C ATOM 0 H THR A 13 -4.154 12.110 6.071 1.00 0.00 H new ATOM 0 HA THR A 13 -4.504 9.812 7.941 1.00 0.00 H new ATOM 0 HB THR A 13 -3.779 10.131 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.651 8.575 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.451 7.686 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.250 8.440 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.658 7.596 6.713 1.00 0.00 H new ATOM 156 N LEU A 14 -2.192 9.551 8.605 1.00 0.00 N ATOM 157 CA LEU A 14 -0.855 9.519 9.171 1.00 0.00 C ATOM 158 C LEU A 14 -0.057 8.387 8.522 1.00 0.00 C ATOM 159 O LEU A 14 -0.620 7.356 8.156 1.00 0.00 O ATOM 160 CB LEU A 14 -0.922 9.428 10.697 1.00 0.00 C ATOM 161 CG LEU A 14 -1.741 10.513 11.399 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.362 9.981 12.692 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.897 11.766 11.642 1.00 0.00 C ATOM 0 H LEU A 14 -2.838 8.867 8.999 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.327 10.447 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.337 8.457 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.095 9.459 11.088 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.562 10.800 10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.939 10.772 13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.019 9.142 12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.572 9.649 13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.503 12.522 12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.042 11.513 12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.544 12.157 10.688 1.00 0.00 H new ATOM 175 N ILE A 15 1.242 8.617 8.398 1.00 0.00 N ATOM 176 CA ILE A 15 2.123 7.629 7.799 1.00 0.00 C ATOM 177 C ILE A 15 2.175 6.389 8.694 1.00 0.00 C ATOM 178 O ILE A 15 2.179 5.262 8.200 1.00 0.00 O ATOM 179 CB ILE A 15 3.497 8.239 7.514 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.315 7.338 6.587 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.240 8.550 8.815 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.638 8.004 6.202 1.00 0.00 C ATOM 0 H ILE A 15 1.706 9.473 8.702 1.00 0.00 H new ATOM 0 HA ILE A 15 1.735 7.309 6.832 1.00 0.00 H new ATOM 0 HB ILE A 15 3.349 9.186 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.513 6.386 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.740 7.117 5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.213 8.983 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.659 9.259 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.378 7.631 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.200 7.342 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.436 8.943 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.221 8.201 7.101 1.00 0.00 H new ATOM 194 N GLU A 16 2.214 6.638 9.995 1.00 0.00 N ATOM 195 CA GLU A 16 2.265 5.556 10.963 1.00 0.00 C ATOM 196 C GLU A 16 0.928 4.813 11.000 1.00 0.00 C ATOM 197 O GLU A 16 0.802 3.788 11.668 1.00 0.00 O ATOM 198 CB GLU A 16 2.641 6.079 12.350 1.00 0.00 C ATOM 199 CG GLU A 16 4.090 6.570 12.377 1.00 0.00 C ATOM 200 CD GLU A 16 5.007 5.538 13.037 1.00 0.00 C ATOM 201 OE1 GLU A 16 5.437 4.616 12.312 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.256 5.696 14.252 1.00 0.00 O ATOM 0 H GLU A 16 2.211 7.574 10.401 1.00 0.00 H new ATOM 0 HA GLU A 16 3.039 4.854 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.972 6.893 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.507 5.289 13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.430 6.766 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.148 7.513 12.920 1.00 0.00 H new ATOM 209 N ASP A 17 -0.037 5.360 10.275 1.00 0.00 N ATOM 210 CA ASP A 17 -1.360 4.762 10.217 1.00 0.00 C ATOM 211 C ASP A 17 -1.475 3.909 8.952 1.00 0.00 C ATOM 212 O ASP A 17 -2.265 2.968 8.903 1.00 0.00 O ATOM 213 CB ASP A 17 -2.448 5.836 10.163 1.00 0.00 C ATOM 214 CG ASP A 17 -3.156 6.106 11.492 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.786 5.434 12.479 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.052 6.978 11.491 1.00 0.00 O ATOM 0 H ASP A 17 0.071 6.211 9.723 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.495 4.156 11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.002 6.766 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.193 5.540 9.425 1.00 0.00 H new ATOM 221 N VAL A 18 -0.674 4.269 7.959 1.00 0.00 N ATOM 222 CA VAL A 18 -0.676 3.549 6.697 1.00 0.00 C ATOM 223 C VAL A 18 0.449 2.512 6.705 1.00 0.00 C ATOM 224 O VAL A 18 0.400 1.532 5.964 1.00 0.00 O ATOM 225 CB VAL A 18 -0.572 4.535 5.532 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.502 3.796 4.194 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.735 5.529 5.550 1.00 0.00 C ATOM 0 H VAL A 18 -0.019 5.050 8.003 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.614 3.010 6.566 1.00 0.00 H new ATOM 0 HB VAL A 18 0.353 5.100 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.429 4.520 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.374 3.147 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.401 3.194 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.637 6.219 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.677 4.988 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.720 6.090 6.485 1.00 0.00 H new ATOM 237 N LEU A 19 1.437 2.764 7.552 1.00 0.00 N ATOM 238 CA LEU A 19 2.573 1.865 7.666 1.00 0.00 C ATOM 239 C LEU A 19 2.307 0.854 8.783 1.00 0.00 C ATOM 240 O LEU A 19 2.897 -0.225 8.802 1.00 0.00 O ATOM 241 CB LEU A 19 3.868 2.658 7.850 1.00 0.00 C ATOM 242 CG LEU A 19 4.467 3.268 6.582 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.399 2.275 5.883 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.369 3.778 5.647 1.00 0.00 C ATOM 0 H LEU A 19 1.474 3.578 8.166 1.00 0.00 H new ATOM 0 HA LEU A 19 2.703 1.297 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.680 3.462 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.612 2.001 8.300 1.00 0.00 H new ATOM 0 HG LEU A 19 5.070 4.129 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.811 2.734 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.211 2.002 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.839 1.381 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.822 4.207 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.719 2.950 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.782 4.541 6.158 1.00 0.00 H new ATOM 256 N ARG A 20 1.417 1.238 9.686 1.00 0.00 N ATOM 257 CA ARG A 20 1.065 0.379 10.804 1.00 0.00 C ATOM 258 C ARG A 20 0.500 -0.949 10.295 1.00 0.00 C ATOM 259 O ARG A 20 0.949 -2.017 10.707 1.00 0.00 O ATOM 260 CB ARG A 20 0.033 1.050 11.712 1.00 0.00 C ATOM 261 CG ARG A 20 0.644 1.404 13.069 1.00 0.00 C ATOM 262 CD ARG A 20 1.093 0.145 13.813 1.00 0.00 C ATOM 263 NE ARG A 20 0.049 -0.273 14.775 1.00 0.00 N ATOM 264 CZ ARG A 20 -0.957 -1.107 14.478 1.00 0.00 C ATOM 265 NH1 ARG A 20 -1.061 -1.618 13.243 1.00 0.00 N ATOM 266 NH2 ARG A 20 -1.858 -1.431 15.415 1.00 0.00 N ATOM 0 H ARG A 20 0.929 2.133 9.666 1.00 0.00 H new ATOM 0 HA ARG A 20 1.972 0.196 11.379 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.345 1.953 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.818 0.384 11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.495 2.069 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.086 1.945 13.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.287 -0.658 13.102 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.028 0.337 14.339 1.00 0.00 H new ATOM 0 HE ARG A 20 0.098 0.097 15.724 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.375 -1.372 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.827 -2.253 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.778 -1.043 16.355 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.624 -2.066 15.188 1.00 0.00 H new ATOM 280 N PRO A 21 -0.502 -0.835 9.383 1.00 0.00 N ATOM 281 CA PRO A 21 -1.133 -2.013 8.813 1.00 0.00 C ATOM 282 C PRO A 21 -0.222 -2.678 7.780 1.00 0.00 C ATOM 283 O PRO A 21 -0.082 -3.900 7.764 1.00 0.00 O ATOM 284 CB PRO A 21 -2.439 -1.512 8.218 1.00 0.00 C ATOM 285 CG PRO A 21 -2.276 -0.008 8.065 1.00 0.00 C ATOM 286 CD PRO A 21 -1.059 0.414 8.871 1.00 0.00 C ATOM 0 HA PRO A 21 -1.321 -2.789 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.636 -1.984 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.281 -1.750 8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.149 0.257 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.167 0.510 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.337 0.944 8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.336 1.086 9.683 1.00 0.00 H new ATOM 294 N LEU A 22 0.376 -1.844 6.941 1.00 0.00 N ATOM 295 CA LEU A 22 1.270 -2.336 5.907 1.00 0.00 C ATOM 296 C LEU A 22 2.310 -3.264 6.537 1.00 0.00 C ATOM 297 O LEU A 22 2.565 -4.354 6.026 1.00 0.00 O ATOM 298 CB LEU A 22 1.879 -1.169 5.126 1.00 0.00 C ATOM 299 CG LEU A 22 0.979 -0.525 4.071 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.536 0.829 3.626 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.758 -1.470 2.888 1.00 0.00 C ATOM 0 H LEU A 22 0.259 -0.831 6.957 1.00 0.00 H new ATOM 0 HA LEU A 22 0.718 -2.926 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.179 -0.399 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.786 -1.521 4.635 1.00 0.00 H new ATOM 0 HG LEU A 22 0.004 -0.339 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.877 1.265 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.599 1.497 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.530 0.691 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.115 -0.988 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.717 -1.710 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.284 -2.387 3.238 1.00 0.00 H new ATOM 313 N GLU A 23 2.882 -2.799 7.637 1.00 0.00 N ATOM 314 CA GLU A 23 3.889 -3.574 8.342 1.00 0.00 C ATOM 315 C GLU A 23 3.255 -4.811 8.981 1.00 0.00 C ATOM 316 O GLU A 23 3.834 -5.896 8.952 1.00 0.00 O ATOM 317 CB GLU A 23 4.603 -2.720 9.392 1.00 0.00 C ATOM 318 CG GLU A 23 5.893 -2.123 8.827 1.00 0.00 C ATOM 319 CD GLU A 23 6.893 -1.821 9.946 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.538 -0.998 10.817 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.989 -2.420 9.904 1.00 0.00 O ATOM 0 H GLU A 23 2.668 -1.895 8.058 1.00 0.00 H new ATOM 0 HA GLU A 23 4.636 -3.904 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.943 -1.919 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.832 -3.329 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.338 -2.818 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.666 -1.208 8.281 1.00 0.00 H new ATOM 328 N GLN A 24 2.072 -4.607 9.544 1.00 0.00 N ATOM 329 CA GLN A 24 1.353 -5.693 10.189 1.00 0.00 C ATOM 330 C GLN A 24 1.192 -6.869 9.224 1.00 0.00 C ATOM 331 O GLN A 24 1.113 -8.020 9.651 1.00 0.00 O ATOM 332 CB GLN A 24 -0.006 -5.218 10.707 1.00 0.00 C ATOM 333 CG GLN A 24 0.163 -4.241 11.872 1.00 0.00 C ATOM 334 CD GLN A 24 -0.164 -4.916 13.206 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.811 -5.948 13.267 1.00 0.00 O ATOM 336 NE2 GLN A 24 0.319 -4.277 14.268 1.00 0.00 N ATOM 0 H GLN A 24 1.594 -3.706 9.567 1.00 0.00 H new ATOM 0 HA GLN A 24 1.935 -6.030 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.558 -4.736 9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.596 -6.076 11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.186 -3.866 11.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.489 -3.380 11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.853 -3.417 14.146 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.155 -4.647 15.204 1.00 0.00 H new ATOM 345 N ALA A 25 1.147 -6.540 7.941 1.00 0.00 N ATOM 346 CA ALA A 25 0.996 -7.555 6.913 1.00 0.00 C ATOM 347 C ALA A 25 2.339 -8.254 6.691 1.00 0.00 C ATOM 348 O ALA A 25 2.398 -9.479 6.599 1.00 0.00 O ATOM 349 CB ALA A 25 0.456 -6.911 5.635 1.00 0.00 C ATOM 0 H ALA A 25 1.213 -5.584 7.590 1.00 0.00 H new ATOM 0 HA ALA A 25 0.277 -8.313 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.343 -7.673 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.512 -6.454 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.152 -6.147 5.291 1.00 0.00 H new ATOM 355 N LEU A 26 3.385 -7.444 6.612 1.00 0.00 N ATOM 356 CA LEU A 26 4.724 -7.970 6.403 1.00 0.00 C ATOM 357 C LEU A 26 5.061 -8.955 7.523 1.00 0.00 C ATOM 358 O LEU A 26 5.192 -10.154 7.281 1.00 0.00 O ATOM 359 CB LEU A 26 5.732 -6.827 6.264 1.00 0.00 C ATOM 360 CG LEU A 26 7.115 -7.213 5.736 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.036 -7.674 4.279 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.113 -6.069 5.922 1.00 0.00 C ATOM 0 H LEU A 26 3.333 -6.428 6.689 1.00 0.00 H new ATOM 0 HA LEU A 26 4.774 -8.524 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.308 -6.074 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.856 -6.357 7.240 1.00 0.00 H new ATOM 0 HG LEU A 26 7.481 -8.056 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.032 -7.943 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.380 -8.541 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.640 -6.867 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.088 -6.370 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.765 -5.191 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.199 -5.830 6.982 1.00 0.00 H new ATOM 374 N GLU A 27 5.192 -8.413 8.725 1.00 0.00 N ATOM 375 CA GLU A 27 5.511 -9.230 9.884 1.00 0.00 C ATOM 376 C GLU A 27 4.814 -10.589 9.784 1.00 0.00 C ATOM 377 O GLU A 27 5.379 -11.610 10.172 1.00 0.00 O ATOM 378 CB GLU A 27 5.132 -8.513 11.181 1.00 0.00 C ATOM 379 CG GLU A 27 3.629 -8.237 11.236 1.00 0.00 C ATOM 380 CD GLU A 27 2.914 -9.269 12.111 1.00 0.00 C ATOM 381 OE1 GLU A 27 3.390 -10.424 12.131 1.00 0.00 O ATOM 382 OE2 GLU A 27 1.907 -8.878 12.741 1.00 0.00 O ATOM 0 H GLU A 27 5.083 -7.418 8.922 1.00 0.00 H new ATOM 0 HA GLU A 27 6.588 -9.397 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.425 -9.122 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.681 -7.574 11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.454 -7.236 11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.214 -8.259 10.228 1.00 0.00 H new ATOM 389 N ASP A 28 3.597 -10.556 9.262 1.00 0.00 N ATOM 390 CA ASP A 28 2.816 -11.772 9.106 1.00 0.00 C ATOM 391 C ASP A 28 3.382 -12.590 7.943 1.00 0.00 C ATOM 392 O ASP A 28 3.673 -13.775 8.097 1.00 0.00 O ATOM 393 CB ASP A 28 1.354 -11.452 8.792 1.00 0.00 C ATOM 394 CG ASP A 28 0.437 -11.354 10.013 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.964 -11.013 11.093 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.771 -11.624 9.838 1.00 0.00 O ATOM 0 H ASP A 28 3.132 -9.707 8.942 1.00 0.00 H new ATOM 0 HA ASP A 28 2.869 -12.329 10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.313 -10.508 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.965 -12.221 8.125 1.00 0.00 H new ATOM 401 N CYS A 29 3.520 -11.925 6.806 1.00 0.00 N ATOM 402 CA CYS A 29 4.045 -12.576 5.618 1.00 0.00 C ATOM 403 C CYS A 29 5.358 -13.268 5.989 1.00 0.00 C ATOM 404 O CYS A 29 5.687 -14.318 5.440 1.00 0.00 O ATOM 405 CB CYS A 29 4.227 -11.587 4.465 1.00 0.00 C ATOM 406 SG CYS A 29 5.825 -10.712 4.638 1.00 0.00 S ATOM 0 H CYS A 29 3.277 -10.942 6.682 1.00 0.00 H new ATOM 0 HA CYS A 29 3.332 -13.320 5.263 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.194 -12.116 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.408 -10.868 4.459 1.00 0.00 H new ATOM 0 HG CYS A 29 6.015 -10.397 5.885 1.00 0.00 H new ATOM 412 N HIS A 30 6.072 -12.651 6.919 1.00 0.00 N ATOM 413 CA HIS A 30 7.342 -13.195 7.371 1.00 0.00 C ATOM 414 C HIS A 30 7.235 -14.716 7.490 1.00 0.00 C ATOM 415 O HIS A 30 7.969 -15.448 6.827 1.00 0.00 O ATOM 416 CB HIS A 30 7.786 -12.527 8.674 1.00 0.00 C ATOM 417 CG HIS A 30 9.235 -12.104 8.684 1.00 0.00 C ATOM 418 ND1 HIS A 30 9.853 -11.025 8.124 1.00 0.00 N flip ATOM 419 CD2 HIS A 30 10.223 -12.830 9.326 1.00 0.00 C flip ATOM 420 CE1 HIS A 30 11.147 -11.086 8.409 1.00 0.00 C flip ATOM 421 NE2 HIS A 30 11.379 -12.205 9.155 1.00 0.00 N flip ATOM 0 H HIS A 30 5.796 -11.780 7.372 1.00 0.00 H new ATOM 0 HA HIS A 30 8.118 -12.977 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.161 -11.652 8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.614 -13.216 9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.077 -13.750 9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.894 -10.369 8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.283 -12.507 9.517 1.00 0.00 H new ATOM 429 N GLY A 31 6.315 -15.148 8.341 1.00 0.00 N ATOM 430 CA GLY A 31 6.103 -16.569 8.556 1.00 0.00 C ATOM 431 C GLY A 31 5.061 -17.122 7.581 1.00 0.00 C ATOM 432 O GLY A 31 4.128 -17.811 7.989 1.00 0.00 O ATOM 0 H GLY A 31 5.708 -14.538 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.044 -17.104 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.774 -16.740 9.581 1.00 0.00 H new ATOM 436 N HIS A 32 5.255 -16.798 6.311 1.00 0.00 N ATOM 437 CA HIS A 32 4.344 -17.253 5.275 1.00 0.00 C ATOM 438 C HIS A 32 4.993 -17.066 3.902 1.00 0.00 C ATOM 439 O HIS A 32 5.375 -18.040 3.255 1.00 0.00 O ATOM 440 CB HIS A 32 2.991 -16.547 5.392 1.00 0.00 C ATOM 441 CG HIS A 32 2.003 -17.258 6.286 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.329 -18.402 5.897 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.583 -16.975 7.553 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.541 -18.782 6.892 1.00 0.00 C ATOM 445 NE2 HIS A 32 0.700 -17.896 7.917 1.00 0.00 N ATOM 0 H HIS A 32 6.030 -16.226 5.976 1.00 0.00 H new ATOM 0 HA HIS A 32 4.145 -18.317 5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.151 -15.539 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.558 -16.446 4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.913 -16.143 8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.112 -19.642 6.892 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.219 -17.935 8.816 1.00 0.00 H new ATOM 453 N THR A 33 5.097 -15.809 3.499 1.00 0.00 N ATOM 454 CA THR A 33 5.694 -15.482 2.215 1.00 0.00 C ATOM 455 C THR A 33 7.203 -15.729 2.249 1.00 0.00 C ATOM 456 O THR A 33 7.842 -15.547 3.285 1.00 0.00 O ATOM 457 CB THR A 33 5.322 -14.037 1.875 1.00 0.00 C ATOM 458 OG1 THR A 33 3.942 -14.106 1.526 1.00 0.00 O ATOM 459 CG2 THR A 33 6.005 -13.541 0.599 1.00 0.00 C ATOM 0 H THR A 33 4.778 -15.004 4.039 1.00 0.00 H new ATOM 0 HA THR A 33 5.309 -16.127 1.425 1.00 0.00 H new ATOM 0 HB THR A 33 5.593 -13.388 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.406 -13.672 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.707 -12.511 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.087 -13.588 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.708 -14.170 -0.240 1.00 0.00 H new ATOM 467 N LYS A 34 7.730 -16.139 1.105 1.00 0.00 N ATOM 468 CA LYS A 34 9.152 -16.413 0.991 1.00 0.00 C ATOM 469 C LYS A 34 9.942 -15.201 1.488 1.00 0.00 C ATOM 470 O LYS A 34 9.434 -14.080 1.484 1.00 0.00 O ATOM 471 CB LYS A 34 9.504 -16.833 -0.438 1.00 0.00 C ATOM 472 CG LYS A 34 8.632 -18.003 -0.896 1.00 0.00 C ATOM 473 CD LYS A 34 9.492 -19.172 -1.381 1.00 0.00 C ATOM 474 CE LYS A 34 10.125 -18.861 -2.739 1.00 0.00 C ATOM 475 NZ LYS A 34 9.516 -19.698 -3.797 1.00 0.00 N ATOM 0 H LYS A 34 7.197 -16.288 0.248 1.00 0.00 H new ATOM 0 HA LYS A 34 9.429 -17.256 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.369 -15.988 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.555 -17.117 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.997 -18.331 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.971 -17.676 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.274 -19.380 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.880 -20.071 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.989 -17.806 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.199 -19.042 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.956 -19.475 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.668 -20.703 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.495 -19.505 -3.848 1.00 0.00 H new ATOM 489 N LYS A 35 11.171 -15.466 1.904 1.00 0.00 N ATOM 490 CA LYS A 35 12.036 -14.410 2.404 1.00 0.00 C ATOM 491 C LYS A 35 12.342 -13.429 1.271 1.00 0.00 C ATOM 492 O LYS A 35 12.026 -12.244 1.369 1.00 0.00 O ATOM 493 CB LYS A 35 13.286 -15.005 3.056 1.00 0.00 C ATOM 494 CG LYS A 35 14.246 -13.903 3.508 1.00 0.00 C ATOM 495 CD LYS A 35 15.270 -13.586 2.415 1.00 0.00 C ATOM 496 CE LYS A 35 16.619 -14.238 2.723 1.00 0.00 C ATOM 497 NZ LYS A 35 17.300 -14.636 1.470 1.00 0.00 N ATOM 0 H LYS A 35 11.589 -16.396 1.905 1.00 0.00 H new ATOM 0 HA LYS A 35 11.533 -13.845 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.998 -15.615 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.790 -15.664 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.682 -13.003 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.762 -14.215 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.902 -13.941 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.395 -12.506 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.247 -13.543 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.471 -15.112 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.214 -15.077 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.706 -15.316 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.458 -13.795 0.879 1.00 0.00 H new ATOM 511 N GLN A 36 12.954 -13.958 0.221 1.00 0.00 N ATOM 512 CA GLN A 36 13.306 -13.143 -0.929 1.00 0.00 C ATOM 513 C GLN A 36 12.196 -12.132 -1.223 1.00 0.00 C ATOM 514 O GLN A 36 12.469 -10.955 -1.456 1.00 0.00 O ATOM 515 CB GLN A 36 13.590 -14.016 -2.153 1.00 0.00 C ATOM 516 CG GLN A 36 14.956 -14.696 -2.037 1.00 0.00 C ATOM 517 CD GLN A 36 15.431 -15.209 -3.398 1.00 0.00 C ATOM 518 OE1 GLN A 36 14.986 -16.230 -3.894 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.357 -14.446 -3.970 1.00 0.00 N ATOM 0 H GLN A 36 13.215 -14.941 0.143 1.00 0.00 H new ATOM 0 HA GLN A 36 14.218 -12.594 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.811 -14.772 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.560 -13.405 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.684 -13.991 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.894 -15.526 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.686 -13.603 -3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.739 -14.703 -4.880 1.00 0.00 H new ATOM 528 N VAL A 37 10.967 -12.627 -1.202 1.00 0.00 N ATOM 529 CA VAL A 37 9.815 -11.782 -1.464 1.00 0.00 C ATOM 530 C VAL A 37 9.661 -10.771 -0.325 1.00 0.00 C ATOM 531 O VAL A 37 9.578 -9.568 -0.566 1.00 0.00 O ATOM 532 CB VAL A 37 8.569 -12.645 -1.670 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.324 -11.774 -1.859 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.753 -13.601 -2.850 1.00 0.00 C ATOM 0 H VAL A 37 10.744 -13.603 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 37 9.957 -11.216 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 37 8.425 -13.245 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.452 -12.412 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.177 -11.153 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.456 -11.136 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.853 -14.203 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.934 -13.027 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.603 -14.256 -2.659 1.00 0.00 H new ATOM 544 N CYS A 38 9.627 -11.298 0.890 1.00 0.00 N ATOM 545 CA CYS A 38 9.484 -10.457 2.066 1.00 0.00 C ATOM 546 C CYS A 38 10.541 -9.353 1.999 1.00 0.00 C ATOM 547 O CYS A 38 10.214 -8.170 2.071 1.00 0.00 O ATOM 548 CB CYS A 38 9.589 -11.269 3.359 1.00 0.00 C ATOM 549 SG CYS A 38 9.663 -10.145 4.801 1.00 0.00 S ATOM 0 H CYS A 38 9.696 -12.297 1.085 1.00 0.00 H new ATOM 0 HA CYS A 38 8.491 -10.008 2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.731 -11.935 3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.479 -11.898 3.332 1.00 0.00 H new ATOM 0 HG CYS A 38 9.768 -10.845 5.892 1.00 0.00 H new ATOM 555 N ASP A 39 11.788 -9.779 1.861 1.00 0.00 N ATOM 556 CA ASP A 39 12.895 -8.842 1.783 1.00 0.00 C ATOM 557 C ASP A 39 12.608 -7.810 0.691 1.00 0.00 C ATOM 558 O ASP A 39 12.934 -6.633 0.843 1.00 0.00 O ATOM 559 CB ASP A 39 14.199 -9.558 1.426 1.00 0.00 C ATOM 560 CG ASP A 39 15.476 -8.790 1.775 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.918 -8.001 0.911 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.981 -9.008 2.897 1.00 0.00 O ATOM 0 H ASP A 39 12.056 -10.761 1.801 1.00 0.00 H new ATOM 0 HA ASP A 39 13.001 -8.364 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.220 -10.520 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.200 -9.767 0.356 1.00 0.00 H new ATOM 567 N ASP A 40 12.001 -8.288 -0.385 1.00 0.00 N ATOM 568 CA ASP A 40 11.666 -7.421 -1.502 1.00 0.00 C ATOM 569 C ASP A 40 10.567 -6.446 -1.074 1.00 0.00 C ATOM 570 O ASP A 40 10.758 -5.232 -1.118 1.00 0.00 O ATOM 571 CB ASP A 40 11.143 -8.231 -2.690 1.00 0.00 C ATOM 572 CG ASP A 40 11.459 -7.639 -4.065 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.198 -6.631 -4.093 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.954 -8.207 -5.057 1.00 0.00 O ATOM 0 H ASP A 40 11.732 -9.264 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 40 12.570 -6.888 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.563 -9.236 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.062 -8.332 -2.594 1.00 0.00 H new ATOM 579 N ILE A 41 9.441 -7.014 -0.670 1.00 0.00 N ATOM 580 CA ILE A 41 8.311 -6.211 -0.235 1.00 0.00 C ATOM 581 C ILE A 41 8.789 -5.183 0.793 1.00 0.00 C ATOM 582 O ILE A 41 8.643 -3.979 0.586 1.00 0.00 O ATOM 583 CB ILE A 41 7.180 -7.107 0.272 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.544 -7.891 -0.878 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.144 -6.295 1.053 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.914 -9.190 -0.373 1.00 0.00 C ATOM 0 H ILE A 41 9.287 -8.022 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 41 7.893 -5.655 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 41 7.606 -7.835 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.784 -7.279 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.300 -8.117 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.351 -6.956 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.624 -5.820 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.718 -5.529 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.469 -9.728 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.681 -9.810 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.142 -8.959 0.361 1.00 0.00 H new ATOM 598 N SER A 42 9.349 -5.695 1.879 1.00 0.00 N ATOM 599 CA SER A 42 9.848 -4.836 2.939 1.00 0.00 C ATOM 600 C SER A 42 10.649 -3.677 2.341 1.00 0.00 C ATOM 601 O SER A 42 10.365 -2.513 2.619 1.00 0.00 O ATOM 602 CB SER A 42 10.712 -5.624 3.926 1.00 0.00 C ATOM 603 OG SER A 42 11.769 -6.321 3.271 1.00 0.00 O ATOM 0 H SER A 42 9.468 -6.694 2.048 1.00 0.00 H new ATOM 0 HA SER A 42 8.994 -4.435 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.131 -4.942 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.088 -6.336 4.466 1.00 0.00 H new ATOM 0 HG SER A 42 11.417 -7.139 2.862 1.00 0.00 H new ATOM 609 N ARG A 43 11.633 -4.037 1.530 1.00 0.00 N ATOM 610 CA ARG A 43 12.477 -3.041 0.890 1.00 0.00 C ATOM 611 C ARG A 43 11.617 -1.947 0.255 1.00 0.00 C ATOM 612 O ARG A 43 11.949 -0.765 0.337 1.00 0.00 O ATOM 613 CB ARG A 43 13.359 -3.677 -0.186 1.00 0.00 C ATOM 614 CG ARG A 43 14.837 -3.600 0.201 1.00 0.00 C ATOM 615 CD ARG A 43 15.735 -3.794 -1.022 1.00 0.00 C ATOM 616 NE ARG A 43 17.126 -4.062 -0.592 1.00 0.00 N ATOM 617 CZ ARG A 43 18.189 -4.002 -1.406 1.00 0.00 C ATOM 618 NH1 ARG A 43 18.027 -3.683 -2.697 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.414 -4.260 -0.928 1.00 0.00 N ATOM 0 H ARG A 43 11.865 -5.004 1.301 1.00 0.00 H new ATOM 0 HA ARG A 43 13.117 -2.605 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.071 -4.718 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.202 -3.169 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.046 -2.634 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.062 -4.363 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.366 -4.623 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.705 -2.904 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 43 17.285 -4.308 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.095 -3.486 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.836 -3.637 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.537 -4.502 0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 43 20.223 -4.214 -1.547 1.00 0.00 H new ATOM 633 N ARG A 44 10.529 -2.379 -0.366 1.00 0.00 N ATOM 634 CA ARG A 44 9.619 -1.451 -1.015 1.00 0.00 C ATOM 635 C ARG A 44 8.937 -0.560 0.025 1.00 0.00 C ATOM 636 O ARG A 44 8.591 0.585 -0.263 1.00 0.00 O ATOM 637 CB ARG A 44 8.551 -2.196 -1.817 1.00 0.00 C ATOM 638 CG ARG A 44 9.188 -3.069 -2.900 1.00 0.00 C ATOM 639 CD ARG A 44 9.485 -2.252 -4.159 1.00 0.00 C ATOM 640 NE ARG A 44 10.331 -3.038 -5.085 1.00 0.00 N ATOM 641 CZ ARG A 44 11.666 -3.112 -5.003 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.316 -2.448 -4.037 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.352 -3.850 -5.887 1.00 0.00 N ATOM 0 H ARG A 44 10.257 -3.360 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 44 10.205 -0.835 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.956 -2.817 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.870 -1.479 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.111 -3.509 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.520 -3.894 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.553 -1.975 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.991 -1.325 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 44 9.868 -3.556 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.794 -1.886 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.333 -2.504 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.857 -4.355 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.369 -3.906 -5.824 1.00 0.00 H new ATOM 657 N LEU A 45 8.765 -1.119 1.214 1.00 0.00 N ATOM 658 CA LEU A 45 8.131 -0.390 2.299 1.00 0.00 C ATOM 659 C LEU A 45 9.035 0.768 2.727 1.00 0.00 C ATOM 660 O LEU A 45 8.618 1.925 2.711 1.00 0.00 O ATOM 661 CB LEU A 45 7.766 -1.339 3.442 1.00 0.00 C ATOM 662 CG LEU A 45 6.888 -2.535 3.065 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.356 -3.239 4.315 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.761 -2.112 2.122 1.00 0.00 C ATOM 0 H LEU A 45 9.054 -2.068 1.450 1.00 0.00 H new ATOM 0 HA LEU A 45 7.190 0.046 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.688 -1.715 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.253 -0.766 4.214 1.00 0.00 H new ATOM 0 HG LEU A 45 7.504 -3.255 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.735 -4.085 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.193 -3.595 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.760 -2.539 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.152 -2.980 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.139 -1.363 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.187 -1.691 1.211 1.00 0.00 H new ATOM 676 N ALA A 46 10.257 0.416 3.099 1.00 0.00 N ATOM 677 CA ALA A 46 11.224 1.411 3.531 1.00 0.00 C ATOM 678 C ALA A 46 11.142 2.629 2.607 1.00 0.00 C ATOM 679 O ALA A 46 11.428 3.750 3.026 1.00 0.00 O ATOM 680 CB ALA A 46 12.621 0.789 3.553 1.00 0.00 C ATOM 0 H ALA A 46 10.600 -0.545 3.110 1.00 0.00 H new ATOM 0 HA ALA A 46 11.002 1.749 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.346 1.535 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.633 -0.053 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.880 0.441 2.553 1.00 0.00 H new ATOM 686 N LEU A 47 10.752 2.367 1.369 1.00 0.00 N ATOM 687 CA LEU A 47 10.629 3.427 0.383 1.00 0.00 C ATOM 688 C LEU A 47 9.312 4.174 0.604 1.00 0.00 C ATOM 689 O LEU A 47 9.313 5.366 0.907 1.00 0.00 O ATOM 690 CB LEU A 47 10.788 2.865 -1.031 1.00 0.00 C ATOM 691 CG LEU A 47 11.504 3.770 -2.036 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.901 2.989 -3.290 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.655 4.998 -2.370 1.00 0.00 C ATOM 0 H LEU A 47 10.517 1.436 1.026 1.00 0.00 H new ATOM 0 HA LEU A 47 11.432 4.154 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.333 1.923 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.797 2.634 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 47 12.424 4.131 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.408 3.655 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.571 2.174 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.008 2.580 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.187 5.624 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.707 4.678 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.466 5.568 -1.460 1.00 0.00 H new ATOM 705 N LEU A 48 8.220 3.441 0.443 1.00 0.00 N ATOM 706 CA LEU A 48 6.898 4.019 0.621 1.00 0.00 C ATOM 707 C LEU A 48 6.905 4.926 1.853 1.00 0.00 C ATOM 708 O LEU A 48 6.207 5.938 1.887 1.00 0.00 O ATOM 709 CB LEU A 48 5.835 2.919 0.672 1.00 0.00 C ATOM 710 CG LEU A 48 4.501 3.306 1.312 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.829 4.441 0.537 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.586 2.087 1.451 1.00 0.00 C ATOM 0 H LEU A 48 8.223 2.453 0.191 1.00 0.00 H new ATOM 0 HA LEU A 48 6.636 4.643 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.642 2.580 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.245 2.070 1.219 1.00 0.00 H new ATOM 0 HG LEU A 48 4.700 3.677 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.883 4.696 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.481 5.315 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.644 4.122 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.644 2.389 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.391 1.664 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.070 1.338 2.078 1.00 0.00 H new ATOM 724 N ARG A 49 7.700 4.530 2.836 1.00 0.00 N ATOM 725 CA ARG A 49 7.807 5.294 4.067 1.00 0.00 C ATOM 726 C ARG A 49 8.659 6.545 3.843 1.00 0.00 C ATOM 727 O ARG A 49 8.304 7.632 4.297 1.00 0.00 O ATOM 728 CB ARG A 49 8.429 4.455 5.184 1.00 0.00 C ATOM 729 CG ARG A 49 8.447 5.227 6.505 1.00 0.00 C ATOM 730 CD ARG A 49 9.072 4.389 7.622 1.00 0.00 C ATOM 731 NE ARG A 49 8.203 3.231 7.932 1.00 0.00 N ATOM 732 CZ ARG A 49 8.643 2.086 8.471 1.00 0.00 C ATOM 733 NH1 ARG A 49 9.942 1.938 8.763 1.00 0.00 N ATOM 734 NH2 ARG A 49 7.783 1.088 8.718 1.00 0.00 N ATOM 0 H ARG A 49 8.277 3.689 2.805 1.00 0.00 H new ATOM 0 HA ARG A 49 6.800 5.585 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.865 3.531 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.446 4.174 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.010 6.152 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.430 5.506 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.060 4.042 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.209 5.001 8.514 1.00 0.00 H new ATOM 0 HE ARG A 49 7.208 3.310 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.597 2.697 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.276 1.066 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.794 1.200 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.118 0.216 9.128 1.00 0.00 H new ATOM 748 N GLU A 50 9.766 6.350 3.142 1.00 0.00 N ATOM 749 CA GLU A 50 10.671 7.449 2.852 1.00 0.00 C ATOM 750 C GLU A 50 10.004 8.452 1.909 1.00 0.00 C ATOM 751 O GLU A 50 10.123 9.662 2.097 1.00 0.00 O ATOM 752 CB GLU A 50 11.987 6.935 2.264 1.00 0.00 C ATOM 753 CG GLU A 50 11.964 6.993 0.736 1.00 0.00 C ATOM 754 CD GLU A 50 13.263 6.439 0.147 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.680 5.355 0.610 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.810 7.111 -0.754 1.00 0.00 O ATOM 0 H GLU A 50 10.057 5.447 2.766 1.00 0.00 H new ATOM 0 HA GLU A 50 10.903 7.959 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.816 7.533 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.159 5.909 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.116 6.420 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.823 8.023 0.410 1.00 0.00 H new ATOM 763 N GLN A 51 9.316 7.912 0.913 1.00 0.00 N ATOM 764 CA GLN A 51 8.630 8.744 -0.060 1.00 0.00 C ATOM 765 C GLN A 51 7.440 9.453 0.592 1.00 0.00 C ATOM 766 O GLN A 51 7.176 10.620 0.307 1.00 0.00 O ATOM 767 CB GLN A 51 8.181 7.919 -1.268 1.00 0.00 C ATOM 768 CG GLN A 51 9.312 7.784 -2.290 1.00 0.00 C ATOM 769 CD GLN A 51 8.862 6.962 -3.499 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.754 6.456 -3.561 1.00 0.00 O ATOM 771 NE2 GLN A 51 9.781 6.858 -4.455 1.00 0.00 N ATOM 0 H GLN A 51 9.219 6.908 0.759 1.00 0.00 H new ATOM 0 HA GLN A 51 9.328 9.501 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.863 6.930 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.318 8.392 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.632 8.773 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.174 7.308 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.690 7.307 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.577 6.330 -5.303 1.00 0.00 H new ATOM 780 N TRP A 52 6.755 8.717 1.455 1.00 0.00 N ATOM 781 CA TRP A 52 5.600 9.261 2.150 1.00 0.00 C ATOM 782 C TRP A 52 6.084 10.394 3.057 1.00 0.00 C ATOM 783 O TRP A 52 5.625 11.529 2.937 1.00 0.00 O ATOM 784 CB TRP A 52 4.852 8.164 2.910 1.00 0.00 C ATOM 785 CG TRP A 52 3.587 8.651 3.620 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.458 9.691 4.455 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.269 8.072 3.522 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.159 9.824 4.901 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.413 8.808 4.315 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.815 6.962 2.787 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.050 8.515 4.450 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.451 6.683 2.932 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.424 7.414 3.727 1.00 0.00 C ATOM 0 H TRP A 52 6.977 7.749 1.689 1.00 0.00 H new ATOM 0 HA TRP A 52 4.879 9.668 1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.582 7.372 2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.524 7.724 3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.269 10.343 4.743 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.810 10.536 5.542 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.467 6.372 2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.600 9.106 5.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.050 5.841 2.388 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.465 7.134 3.787 1.00 0.00 H new ATOM 804 N ALA A 53 7.005 10.046 3.944 1.00 0.00 N ATOM 805 CA ALA A 53 7.556 11.020 4.870 1.00 0.00 C ATOM 806 C ALA A 53 8.302 12.101 4.085 1.00 0.00 C ATOM 807 O ALA A 53 7.967 13.281 4.174 1.00 0.00 O ATOM 808 CB ALA A 53 8.457 10.309 5.882 1.00 0.00 C ATOM 0 H ALA A 53 7.383 9.104 4.041 1.00 0.00 H new ATOM 0 HA ALA A 53 6.759 11.510 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.871 11.040 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.873 9.573 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.270 9.808 5.356 1.00 0.00 H new ATOM 814 N GLY A 54 9.299 11.658 3.332 1.00 0.00 N ATOM 815 CA GLY A 54 10.095 12.573 2.531 1.00 0.00 C ATOM 816 C GLY A 54 9.225 13.686 1.944 1.00 0.00 C ATOM 817 O GLY A 54 9.692 14.808 1.752 1.00 0.00 O ATOM 0 H GLY A 54 9.573 10.678 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.883 13.008 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.584 12.026 1.725 1.00 0.00 H new ATOM 821 N GLY A 55 7.976 13.337 1.673 1.00 0.00 N ATOM 822 CA GLY A 55 7.037 14.293 1.111 1.00 0.00 C ATOM 823 C GLY A 55 7.022 14.213 -0.416 1.00 0.00 C ATOM 824 O GLY A 55 6.672 15.182 -1.089 1.00 0.00 O ATOM 0 H GLY A 55 7.592 12.405 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.037 14.097 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.308 15.301 1.423 1.00 0.00 H new ATOM 828 N LYS A 56 7.405 13.049 -0.920 1.00 0.00 N ATOM 829 CA LYS A 56 7.440 12.830 -2.356 1.00 0.00 C ATOM 830 C LYS A 56 6.104 12.238 -2.810 1.00 0.00 C ATOM 831 O LYS A 56 5.867 12.078 -4.006 1.00 0.00 O ATOM 832 CB LYS A 56 8.652 11.979 -2.739 1.00 0.00 C ATOM 833 CG LYS A 56 9.899 12.849 -2.916 1.00 0.00 C ATOM 834 CD LYS A 56 10.348 12.873 -4.378 1.00 0.00 C ATOM 835 CE LYS A 56 11.818 13.279 -4.494 1.00 0.00 C ATOM 836 NZ LYS A 56 12.278 13.167 -5.896 1.00 0.00 N ATOM 0 H LYS A 56 7.694 12.247 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 56 7.565 13.776 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.833 11.230 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.445 11.441 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.689 13.864 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.705 12.466 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.203 11.889 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.729 13.571 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.947 14.303 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.429 12.643 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.278 13.446 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.173 12.184 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.707 13.792 -6.500 1.00 0.00 H new ATOM 850 N LEU A 57 5.268 11.927 -1.831 1.00 0.00 N ATOM 851 CA LEU A 57 3.963 11.355 -2.115 1.00 0.00 C ATOM 852 C LEU A 57 2.913 12.469 -2.119 1.00 0.00 C ATOM 853 O LEU A 57 2.936 13.351 -1.263 1.00 0.00 O ATOM 854 CB LEU A 57 3.651 10.220 -1.137 1.00 0.00 C ATOM 855 CG LEU A 57 4.585 9.010 -1.194 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.166 7.945 -0.179 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.668 8.448 -2.614 1.00 0.00 C ATOM 0 H LEU A 57 5.469 12.060 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 57 3.953 10.902 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.673 10.623 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.633 9.877 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 57 5.587 9.339 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.847 7.096 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.201 8.366 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.151 7.613 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.338 7.589 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.675 8.139 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.049 9.216 -3.287 1.00 0.00 H new ATOM 869 N SER A 58 2.018 12.390 -3.093 1.00 0.00 N ATOM 870 CA SER A 58 0.962 13.380 -3.221 1.00 0.00 C ATOM 871 C SER A 58 -0.077 13.182 -2.116 1.00 0.00 C ATOM 872 O SER A 58 -0.180 12.098 -1.543 1.00 0.00 O ATOM 873 CB SER A 58 0.297 13.302 -4.596 1.00 0.00 C ATOM 874 OG SER A 58 -0.149 14.578 -5.047 1.00 0.00 O ATOM 0 H SER A 58 2.002 11.656 -3.801 1.00 0.00 H new ATOM 0 HA SER A 58 1.407 14.370 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.003 12.889 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.550 12.617 -4.551 1.00 0.00 H new ATOM 0 HG SER A 58 -0.566 14.486 -5.929 1.00 0.00 H new ATOM 880 N ILE A 59 -0.823 14.244 -1.851 1.00 0.00 N ATOM 881 CA ILE A 59 -1.851 14.200 -0.825 1.00 0.00 C ATOM 882 C ILE A 59 -2.902 13.156 -1.208 1.00 0.00 C ATOM 883 O ILE A 59 -3.321 12.357 -0.372 1.00 0.00 O ATOM 884 CB ILE A 59 -2.429 15.596 -0.586 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.447 16.470 0.197 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.795 15.514 0.099 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.273 17.835 -0.472 1.00 0.00 C ATOM 0 H ILE A 59 -0.736 15.141 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.425 13.889 0.129 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.582 16.072 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.808 16.604 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.482 15.968 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.184 16.520 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.485 14.953 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.691 15.010 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.570 18.436 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.889 17.698 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.236 18.344 -0.515 1.00 0.00 H new ATOM 899 N PRO A 60 -3.310 13.200 -2.505 1.00 0.00 N ATOM 900 CA PRO A 60 -4.304 12.267 -3.008 1.00 0.00 C ATOM 901 C PRO A 60 -3.700 10.876 -3.208 1.00 0.00 C ATOM 902 O PRO A 60 -4.405 9.936 -3.571 1.00 0.00 O ATOM 903 CB PRO A 60 -4.806 12.888 -4.301 1.00 0.00 C ATOM 904 CG PRO A 60 -3.752 13.903 -4.713 1.00 0.00 C ATOM 905 CD PRO A 60 -2.836 14.133 -3.522 1.00 0.00 C ATOM 0 HA PRO A 60 -5.127 12.112 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.940 12.129 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.774 13.368 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.183 13.537 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.221 14.838 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.795 13.942 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.893 15.164 -3.172 1.00 0.00 H new ATOM 913 N VAL A 61 -2.401 10.789 -2.961 1.00 0.00 N ATOM 914 CA VAL A 61 -1.694 9.528 -3.109 1.00 0.00 C ATOM 915 C VAL A 61 -1.716 8.776 -1.777 1.00 0.00 C ATOM 916 O VAL A 61 -1.623 7.550 -1.750 1.00 0.00 O ATOM 917 CB VAL A 61 -0.278 9.781 -3.630 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.671 8.658 -3.205 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.276 9.954 -5.150 1.00 0.00 C ATOM 0 H VAL A 61 -1.820 11.571 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.189 8.896 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 61 0.081 10.710 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.671 8.862 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.704 8.602 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.315 7.709 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.743 10.133 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.665 9.050 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.904 10.803 -5.420 1.00 0.00 H new ATOM 929 N LYS A 62 -1.840 9.543 -0.703 1.00 0.00 N ATOM 930 CA LYS A 62 -1.875 8.965 0.629 1.00 0.00 C ATOM 931 C LYS A 62 -3.317 8.594 0.981 1.00 0.00 C ATOM 932 O LYS A 62 -3.567 7.536 1.557 1.00 0.00 O ATOM 933 CB LYS A 62 -1.218 9.907 1.640 1.00 0.00 C ATOM 934 CG LYS A 62 0.084 10.486 1.083 1.00 0.00 C ATOM 935 CD LYS A 62 0.438 11.804 1.775 1.00 0.00 C ATOM 936 CE LYS A 62 1.652 12.461 1.116 1.00 0.00 C ATOM 937 NZ LYS A 62 1.352 13.865 0.757 1.00 0.00 N ATOM 0 H LYS A 62 -1.917 10.560 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.292 8.045 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.904 10.717 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.014 9.368 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.894 9.769 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.016 10.650 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.415 12.482 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.647 11.621 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.504 12.427 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.934 11.904 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.604 14.030 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.337 14.049 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.904 14.504 1.364 1.00 0.00 H new ATOM 951 N LYS A 63 -4.229 9.486 0.621 1.00 0.00 N ATOM 952 CA LYS A 63 -5.639 9.266 0.892 1.00 0.00 C ATOM 953 C LYS A 63 -6.105 8.008 0.155 1.00 0.00 C ATOM 954 O LYS A 63 -6.921 7.247 0.674 1.00 0.00 O ATOM 955 CB LYS A 63 -6.452 10.516 0.550 1.00 0.00 C ATOM 956 CG LYS A 63 -6.780 11.319 1.811 1.00 0.00 C ATOM 957 CD LYS A 63 -5.877 12.548 1.928 1.00 0.00 C ATOM 958 CE LYS A 63 -4.476 12.157 2.403 1.00 0.00 C ATOM 959 NZ LYS A 63 -3.716 13.357 2.818 1.00 0.00 N ATOM 0 H LYS A 63 -4.018 10.363 0.144 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.800 9.091 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.892 11.139 -0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.375 10.227 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.824 11.631 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.657 10.688 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.811 13.048 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.316 13.261 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.550 11.460 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.945 11.642 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.925 13.512 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.343 14.186 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.344 13.217 3.779 1.00 0.00 H new ATOM 973 N ARG A 64 -5.568 7.830 -1.042 1.00 0.00 N ATOM 974 CA ARG A 64 -5.919 6.678 -1.856 1.00 0.00 C ATOM 975 C ARG A 64 -5.266 5.413 -1.295 1.00 0.00 C ATOM 976 O ARG A 64 -5.770 4.309 -1.494 1.00 0.00 O ATOM 977 CB ARG A 64 -5.474 6.872 -3.307 1.00 0.00 C ATOM 978 CG ARG A 64 -6.674 6.851 -4.256 1.00 0.00 C ATOM 979 CD ARG A 64 -6.389 7.666 -5.518 1.00 0.00 C ATOM 980 NE ARG A 64 -7.580 7.671 -6.397 1.00 0.00 N ATOM 981 CZ ARG A 64 -7.780 8.551 -7.388 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.869 9.504 -7.631 1.00 0.00 N ATOM 983 NH2 ARG A 64 -8.890 8.479 -8.134 1.00 0.00 N ATOM 0 H ARG A 64 -4.892 8.464 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.004 6.573 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.945 7.820 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.773 6.085 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.909 5.822 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.550 7.254 -3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.122 8.688 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.536 7.243 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.294 6.960 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.024 9.559 -7.062 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.021 10.174 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.583 7.754 -7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.042 9.149 -8.888 1.00 0.00 H new ATOM 997 N MET A 65 -4.154 5.616 -0.603 1.00 0.00 N ATOM 998 CA MET A 65 -3.427 4.506 -0.012 1.00 0.00 C ATOM 999 C MET A 65 -4.168 3.952 1.206 1.00 0.00 C ATOM 1000 O MET A 65 -4.458 2.758 1.271 1.00 0.00 O ATOM 1001 CB MET A 65 -2.033 4.975 0.409 1.00 0.00 C ATOM 1002 CG MET A 65 -0.948 4.272 -0.410 1.00 0.00 C ATOM 1003 SD MET A 65 0.308 3.616 0.676 1.00 0.00 S ATOM 1004 CE MET A 65 -0.445 2.059 1.115 1.00 0.00 C ATOM 0 H MET A 65 -3.739 6.533 -0.439 1.00 0.00 H new ATOM 0 HA MET A 65 -3.344 3.713 -0.756 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.953 6.054 0.276 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.882 4.773 1.469 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.389 3.467 -0.998 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.501 4.973 -1.115 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.817 2.110 2.138 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.274 1.852 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.295 1.262 1.037 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.455 4.846 2.142 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.157 4.461 3.354 1.00 0.00 C ATOM 1016 C ALA A 66 -6.396 3.645 2.983 1.00 0.00 C ATOM 1017 O ALA A 66 -6.740 2.683 3.670 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.504 5.713 4.163 1.00 0.00 C ATOM 0 H ALA A 66 -4.214 5.835 2.085 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.524 3.833 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.031 5.424 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.588 6.241 4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.141 6.366 3.567 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.035 4.057 1.898 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.229 3.376 1.428 1.00 0.00 C ATOM 1026 C LEU A 67 -7.927 1.886 1.256 1.00 0.00 C ATOM 1027 O LEU A 67 -8.485 1.050 1.964 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.763 4.046 0.160 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.508 5.367 0.362 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.070 5.888 -0.962 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.594 5.226 1.430 1.00 0.00 C ATOM 0 H LEU A 67 -6.748 4.855 1.331 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.029 3.456 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.925 4.224 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.432 3.347 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.796 6.109 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.595 6.828 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.253 6.052 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.763 5.156 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.108 6.179 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.310 4.464 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.138 4.934 2.376 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.043 1.600 0.311 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.659 0.225 0.037 1.00 0.00 C ATOM 1045 C LEU A 68 -6.340 -0.483 1.355 1.00 0.00 C ATOM 1046 O LEU A 68 -6.718 -1.637 1.551 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.516 0.180 -0.978 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.448 -0.889 -0.739 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.569 -1.074 -1.978 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.621 -0.569 0.508 1.00 0.00 C ATOM 0 H LEU A 68 -6.582 2.297 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.485 -0.317 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.943 0.024 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.029 1.155 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.951 -1.839 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.818 -1.839 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.188 -1.382 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.073 -0.133 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.869 -1.345 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.128 0.395 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.276 -0.529 1.378 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.647 0.237 2.224 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.272 -0.308 3.518 1.00 0.00 C ATOM 1064 C VAL A 69 -6.537 -0.646 4.309 1.00 0.00 C ATOM 1065 O VAL A 69 -6.785 -1.810 4.622 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.352 0.670 4.251 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.168 0.258 5.713 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.002 0.790 3.541 1.00 0.00 C ATOM 0 H VAL A 69 -5.335 1.194 2.058 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.708 -1.233 3.395 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.826 1.651 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.510 0.970 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.137 0.248 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.726 -0.738 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.367 1.491 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.519 -0.187 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.156 1.151 2.524 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.304 0.392 4.611 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.537 0.219 5.360 1.00 0.00 C ATOM 1080 C GLN A 70 -9.253 -1.057 4.915 1.00 0.00 C ATOM 1081 O GLN A 70 -9.816 -1.777 5.740 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.446 1.440 5.207 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.887 2.639 5.975 1.00 0.00 C ATOM 1084 CD GLN A 70 -8.586 2.268 7.429 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -7.314 1.950 7.653 1.00 0.00 O flip ATOM 1086 NE2 GLN A 70 -9.451 2.270 8.289 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.095 1.356 4.350 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.288 0.122 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.545 1.694 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.445 1.203 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.977 2.993 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.604 3.460 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.409 2.525 8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.216 2.017 9.249 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.210 -1.300 3.613 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.848 -2.477 3.050 1.00 0.00 C ATOM 1097 C GLU A 71 -9.107 -3.743 3.486 1.00 0.00 C ATOM 1098 O GLU A 71 -9.718 -4.675 4.008 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.922 -2.383 1.524 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.550 -1.059 1.086 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.078 -1.154 1.074 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.608 -1.882 1.940 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.680 -0.496 0.198 1.00 0.00 O ATOM 0 H GLU A 71 -8.743 -0.701 2.932 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.869 -2.529 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.921 -2.472 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.508 -3.215 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.237 -0.263 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.191 -0.793 0.092 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.803 -3.735 3.256 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.972 -4.871 3.619 1.00 0.00 C ATOM 1112 C LEU A 72 -7.250 -5.257 5.073 1.00 0.00 C ATOM 1113 O LEU A 72 -7.088 -6.415 5.454 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.499 -4.571 3.333 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.595 -5.787 3.128 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.619 -5.556 1.972 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.871 -6.158 4.424 1.00 0.00 C ATOM 0 H LEU A 72 -7.301 -2.960 2.823 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.222 -5.737 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.442 -3.947 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.101 -3.983 4.160 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.222 -6.636 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.988 -6.436 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.178 -5.378 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.995 -4.690 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.235 -7.026 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.258 -5.318 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.604 -6.394 5.195 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.665 -4.264 5.847 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.967 -4.485 7.250 1.00 0.00 C ATOM 1131 C LEU A 73 -9.254 -5.303 7.368 1.00 0.00 C ATOM 1132 O LEU A 73 -9.301 -6.291 8.099 1.00 0.00 O ATOM 1133 CB LEU A 73 -8.013 -3.154 8.004 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.670 -2.449 8.204 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.872 -0.986 8.601 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.801 -3.202 9.214 1.00 0.00 C ATOM 0 H LEU A 73 -7.799 -3.304 5.528 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.175 -5.066 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.679 -2.478 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.458 -3.329 8.983 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.137 -2.454 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.902 -0.509 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.424 -0.469 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.434 -0.936 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.852 -2.680 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.317 -3.250 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.614 -4.213 8.851 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.267 -4.861 6.637 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.551 -5.541 6.651 1.00 0.00 C ATOM 1150 C HIS A 74 -11.464 -6.820 5.817 1.00 0.00 C ATOM 1151 O HIS A 74 -12.433 -7.572 5.722 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.667 -4.603 6.182 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.214 -3.709 7.269 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.510 -3.812 7.743 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.627 -2.695 7.969 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.685 -2.897 8.685 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.517 -2.206 8.823 1.00 0.00 N ATOM 0 H HIS A 74 -10.225 -4.041 6.032 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.802 -5.830 7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.288 -3.981 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.482 -5.200 5.772 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.611 -2.349 7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.593 -2.728 9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.354 -1.439 9.476 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.292 -7.030 5.234 1.00 0.00 N ATOM 1166 CA HIS A 75 -10.065 -8.206 4.412 1.00 0.00 C ATOM 1167 C HIS A 75 -10.536 -7.931 2.982 1.00 0.00 C ATOM 1168 O HIS A 75 -10.390 -8.779 2.103 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.731 -9.437 5.029 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.642 -9.493 6.536 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -9.652 -9.094 7.386 1.00 0.00 N flip ATOM 1172 CD2 HIS A 75 -11.653 -10.009 7.328 1.00 0.00 C flip ATOM 1173 CE1 HIS A 75 -10.039 -9.350 8.629 1.00 0.00 C flip ATOM 1174 NE2 HIS A 75 -11.278 -9.918 8.596 1.00 0.00 N flip ATOM 0 H HIS A 75 -9.490 -6.405 5.315 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.998 -8.425 4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.781 -9.454 4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.270 -10.333 4.614 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -12.588 -10.416 6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.466 -9.142 9.521 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -11.821 -10.220 9.405 1.00 0.00 H new ATOM 1182 N GLN A 76 -11.092 -6.743 2.795 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.586 -6.346 1.487 1.00 0.00 C ATOM 1184 C GLN A 76 -10.426 -6.226 0.496 1.00 0.00 C ATOM 1185 O GLN A 76 -10.026 -5.121 0.134 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.372 -5.037 1.572 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.730 -5.255 2.242 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.798 -5.621 1.209 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.632 -5.438 0.014 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.901 -6.148 1.734 1.00 0.00 N ATOM 0 H GLN A 76 -11.211 -6.043 3.527 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.267 -7.117 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.799 -4.300 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.517 -4.630 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.650 -6.049 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.027 -4.351 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.975 -6.274 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.672 -6.426 1.127 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.918 -7.379 0.086 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.813 -7.417 -0.856 1.00 0.00 C ATOM 1201 C TRP A 77 -9.319 -6.893 -2.201 1.00 0.00 C ATOM 1202 O TRP A 77 -8.606 -6.175 -2.900 1.00 0.00 O ATOM 1203 CB TRP A 77 -8.219 -8.824 -0.948 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.465 -9.686 0.292 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -9.406 -10.623 0.472 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.715 -9.652 1.524 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -9.318 -11.193 1.726 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -8.257 -10.584 2.386 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.615 -8.861 1.899 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.766 -10.812 3.677 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -6.136 -9.100 3.192 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.670 -10.035 4.072 1.00 0.00 C ATOM 0 H TRP A 77 -10.252 -8.294 0.389 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.997 -6.778 -0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.640 -9.329 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.145 -8.744 -1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.141 -10.898 -0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.921 -11.926 2.100 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.174 -8.127 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.208 -11.547 4.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.292 -8.517 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.242 -10.161 5.055 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.547 -7.273 -2.524 1.00 0.00 N ATOM 1224 CA ASP A 78 -11.157 -6.850 -3.773 1.00 0.00 C ATOM 1225 C ASP A 78 -11.104 -5.324 -3.871 1.00 0.00 C ATOM 1226 O ASP A 78 -10.882 -4.775 -4.948 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.625 -7.276 -3.841 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.877 -8.615 -4.538 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.853 -9.640 -3.823 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.089 -8.583 -5.769 1.00 0.00 O ATOM 0 H ASP A 78 -11.136 -7.869 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.607 -7.316 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.019 -7.332 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.189 -6.501 -4.360 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.311 -4.682 -2.730 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.290 -3.230 -2.674 1.00 0.00 C ATOM 1237 C ALA A 79 -9.843 -2.742 -2.774 1.00 0.00 C ATOM 1238 O ALA A 79 -9.533 -1.870 -3.584 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.976 -2.759 -1.390 1.00 0.00 C ATOM 0 H ALA A 79 -11.494 -5.141 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.841 -2.805 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.960 -1.670 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.009 -3.108 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.448 -3.163 -0.526 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.996 -3.326 -1.939 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.589 -2.961 -1.924 1.00 0.00 C ATOM 1247 C ALA A 80 -7.087 -2.825 -3.363 1.00 0.00 C ATOM 1248 O ALA A 80 -6.498 -1.807 -3.725 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.800 -4.002 -1.127 1.00 0.00 C ATOM 0 H ALA A 80 -9.257 -4.049 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.447 -1.998 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.745 -3.728 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.176 -4.039 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.916 -4.981 -1.592 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.337 -3.865 -4.144 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.917 -3.874 -5.535 1.00 0.00 C ATOM 1257 C ASP A 81 -7.580 -2.709 -6.272 1.00 0.00 C ATOM 1258 O ASP A 81 -6.906 -1.928 -6.941 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.336 -5.172 -6.229 1.00 0.00 C ATOM 1260 CG ASP A 81 -7.366 -5.108 -7.757 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -8.260 -4.408 -8.278 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.493 -5.761 -8.369 1.00 0.00 O ATOM 0 H ASP A 81 -7.825 -4.708 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.831 -3.786 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.652 -5.965 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.327 -5.453 -5.873 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.895 -2.629 -6.123 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.657 -1.572 -6.766 1.00 0.00 C ATOM 1269 C ASP A 82 -8.944 -0.235 -6.558 1.00 0.00 C ATOM 1270 O ASP A 82 -8.657 0.476 -7.519 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.059 -1.459 -6.163 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.169 -1.130 -7.163 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.162 -1.757 -8.245 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.999 -0.260 -6.823 1.00 0.00 O ATOM 0 H ASP A 82 -9.451 -3.278 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.738 -1.812 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.303 -2.400 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.045 -0.689 -5.392 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.677 0.067 -5.295 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.003 1.306 -4.948 1.00 0.00 C ATOM 1281 C ILE A 83 -6.578 1.280 -5.506 1.00 0.00 C ATOM 1282 O ILE A 83 -6.148 2.226 -6.164 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.068 1.547 -3.439 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.516 1.699 -2.969 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.206 2.745 -3.037 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.716 1.061 -1.593 1.00 0.00 C ATOM 0 H ILE A 83 -8.916 -0.526 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.510 2.156 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.657 0.672 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.779 2.756 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.187 1.233 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.270 2.894 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.169 2.557 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.563 3.639 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.754 1.183 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.476 -0.001 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.061 1.545 -0.869 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.886 0.186 -5.223 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.519 0.024 -5.688 1.00 0.00 C ATOM 1300 C HIS A 84 -4.448 0.329 -7.186 1.00 0.00 C ATOM 1301 O HIS A 84 -3.478 0.921 -7.657 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.988 -1.368 -5.340 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.066 -1.952 -6.383 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -2.009 -1.401 -7.047 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -3.185 -3.250 -6.847 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.509 -2.314 -7.871 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -2.238 -3.461 -7.749 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.247 -0.597 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.870 0.735 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.458 -1.316 -4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.832 -2.043 -5.198 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.662 -0.449 -6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.925 -3.969 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.665 -2.172 -8.529 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.487 -0.091 -7.893 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.554 0.130 -9.327 1.00 0.00 C ATOM 1317 C ARG A 85 -5.761 1.616 -9.627 1.00 0.00 C ATOM 1318 O ARG A 85 -5.003 2.210 -10.391 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.694 -0.674 -9.955 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.368 -2.169 -9.970 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.376 -2.502 -11.086 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.647 -3.748 -10.760 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.100 -4.978 -11.036 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -6.284 -5.135 -11.645 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.371 -6.052 -10.703 1.00 0.00 N ATOM 0 H ARG A 85 -6.289 -0.583 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.610 -0.202 -9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.614 -0.505 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.871 -0.327 -10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.950 -2.464 -9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.284 -2.743 -10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.905 -2.617 -12.032 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.671 -1.681 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.743 -3.665 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.840 -4.318 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.629 -6.072 -11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.470 -5.933 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.717 -6.988 -10.914 1.00 0.00 H new ATOM 1339 N SER A 86 -6.792 2.173 -9.009 1.00 0.00 N ATOM 1340 CA SER A 86 -7.109 3.579 -9.200 1.00 0.00 C ATOM 1341 C SER A 86 -5.846 4.427 -9.032 1.00 0.00 C ATOM 1342 O SER A 86 -5.718 5.484 -9.647 1.00 0.00 O ATOM 1343 CB SER A 86 -8.191 4.037 -8.220 1.00 0.00 C ATOM 1344 OG SER A 86 -9.306 3.151 -8.203 1.00 0.00 O ATOM 0 H SER A 86 -7.419 1.677 -8.376 1.00 0.00 H new ATOM 0 HA SER A 86 -7.494 3.709 -10.211 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.767 4.105 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.527 5.037 -8.493 1.00 0.00 H new ATOM 0 HG SER A 86 -9.037 2.294 -7.810 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.946 3.931 -8.196 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.698 4.631 -7.939 1.00 0.00 C ATOM 1352 C LEU A 87 -2.742 4.406 -9.113 1.00 0.00 C ATOM 1353 O LEU A 87 -2.076 5.337 -9.562 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.119 4.214 -6.586 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.509 5.087 -5.392 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.124 4.416 -4.072 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.909 6.489 -5.518 1.00 0.00 C ATOM 0 H LEU A 87 -5.056 3.053 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.870 5.705 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.431 3.190 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.032 4.206 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.593 5.199 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.413 5.058 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.638 3.459 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.047 4.253 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.202 7.089 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.822 6.417 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.275 6.961 -6.430 1.00 0.00 H new ATOM 1369 N MET A 88 -2.706 3.165 -9.575 1.00 0.00 N ATOM 1370 CA MET A 88 -1.842 2.807 -10.688 1.00 0.00 C ATOM 1371 C MET A 88 -2.312 3.472 -11.983 1.00 0.00 C ATOM 1372 O MET A 88 -1.617 3.425 -12.997 1.00 0.00 O ATOM 1373 CB MET A 88 -1.842 1.287 -10.865 1.00 0.00 C ATOM 1374 CG MET A 88 -0.774 0.632 -9.987 1.00 0.00 C ATOM 1375 SD MET A 88 0.453 -0.164 -11.009 1.00 0.00 S ATOM 1376 CE MET A 88 1.842 0.922 -10.728 1.00 0.00 C ATOM 0 H MET A 88 -3.260 2.395 -9.200 1.00 0.00 H new ATOM 0 HA MET A 88 -0.833 3.156 -10.468 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.823 0.888 -10.609 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.660 1.039 -11.911 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.301 1.383 -9.355 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.236 -0.099 -9.323 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.489 0.920 -11.605 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.481 1.934 -10.545 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.405 0.576 -9.862 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.489 4.076 -11.907 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.060 4.750 -13.061 1.00 0.00 C ATOM 1388 C VAL A 89 -3.359 6.096 -13.258 1.00 0.00 C ATOM 1389 O VAL A 89 -2.734 6.329 -14.292 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.575 4.884 -12.893 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.173 5.763 -13.993 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.246 3.509 -12.863 1.00 0.00 C ATOM 0 H VAL A 89 -4.063 4.113 -11.064 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.898 4.163 -13.965 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.765 5.371 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.251 5.842 -13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.727 6.757 -13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.968 5.318 -14.966 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.322 3.632 -12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.043 2.984 -13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.852 2.930 -12.028 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.487 6.947 -12.251 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.874 8.263 -12.300 1.00 0.00 C ATOM 1404 C ASP A 90 -1.505 8.210 -11.619 1.00 0.00 C ATOM 1405 O ASP A 90 -0.474 8.312 -12.282 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.729 9.297 -11.564 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.022 9.695 -12.278 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.137 9.354 -13.475 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.866 10.331 -11.611 1.00 0.00 O ATOM 0 H ASP A 90 -4.007 6.750 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.780 8.552 -13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.982 8.902 -10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.130 10.193 -11.404 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.540 8.050 -10.305 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.315 7.981 -9.527 1.00 0.00 C ATOM 1416 C HIS A 91 0.327 6.603 -9.700 1.00 0.00 C ATOM 1417 O HIS A 91 0.503 5.870 -8.729 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.581 8.331 -8.061 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.676 9.352 -7.863 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.421 10.701 -7.692 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.031 9.207 -7.811 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.577 11.330 -7.543 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.574 10.402 -7.617 1.00 0.00 N ATOM 0 H HIS A 91 -2.397 7.966 -9.759 1.00 0.00 H new ATOM 0 HA HIS A 91 0.394 8.723 -9.894 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.845 7.421 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.339 8.709 -7.615 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.499 11.137 -7.682 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.571 8.277 -7.911 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.707 12.391 -7.390 1.00 0.00 H new ATOM 1431 N VAL A 92 0.659 6.293 -10.945 1.00 0.00 N ATOM 1432 CA VAL A 92 1.278 5.016 -11.258 1.00 0.00 C ATOM 1433 C VAL A 92 2.766 5.075 -10.905 1.00 0.00 C ATOM 1434 O VAL A 92 3.306 4.138 -10.320 1.00 0.00 O ATOM 1435 CB VAL A 92 1.025 4.658 -12.724 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.936 5.466 -13.651 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.197 3.156 -12.959 1.00 0.00 C ATOM 0 H VAL A 92 0.511 6.904 -11.748 1.00 0.00 H new ATOM 0 HA VAL A 92 0.834 4.219 -10.661 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.007 4.918 -12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.736 5.192 -14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.744 6.530 -13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.978 5.252 -13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.012 2.928 -14.009 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.213 2.861 -12.698 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.489 2.607 -12.338 1.00 0.00 H new ATOM 1447 N THR A 93 3.386 6.185 -11.276 1.00 0.00 N ATOM 1448 CA THR A 93 4.800 6.379 -11.006 1.00 0.00 C ATOM 1449 C THR A 93 5.029 6.629 -9.514 1.00 0.00 C ATOM 1450 O THR A 93 5.842 5.953 -8.885 1.00 0.00 O ATOM 1451 CB THR A 93 5.301 7.517 -11.897 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.942 6.853 -12.983 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.422 8.325 -11.240 1.00 0.00 C ATOM 0 H THR A 93 2.935 6.960 -11.762 1.00 0.00 H new ATOM 0 HA THR A 93 5.374 5.484 -11.245 1.00 0.00 H new ATOM 0 HB THR A 93 4.470 8.180 -12.140 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.295 7.518 -13.611 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.741 9.120 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.058 8.762 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.266 7.669 -11.027 1.00 0.00 H new ATOM 1461 N GLU A 94 4.298 7.602 -8.991 1.00 0.00 N ATOM 1462 CA GLU A 94 4.411 7.950 -7.585 1.00 0.00 C ATOM 1463 C GLU A 94 4.412 6.685 -6.724 1.00 0.00 C ATOM 1464 O GLU A 94 5.318 6.479 -5.918 1.00 0.00 O ATOM 1465 CB GLU A 94 3.287 8.899 -7.163 1.00 0.00 C ATOM 1466 CG GLU A 94 3.692 10.358 -7.382 1.00 0.00 C ATOM 1467 CD GLU A 94 2.608 11.310 -6.873 1.00 0.00 C ATOM 1468 OE1 GLU A 94 1.466 11.184 -7.365 1.00 0.00 O ATOM 1469 OE2 GLU A 94 2.945 12.142 -6.003 1.00 0.00 O ATOM 0 H GLU A 94 3.625 8.161 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 94 5.357 8.470 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.386 8.678 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.046 8.738 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.630 10.560 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.868 10.535 -8.443 1.00 0.00 H new ATOM 1476 N VAL A 95 3.386 5.871 -6.923 1.00 0.00 N ATOM 1477 CA VAL A 95 3.257 4.632 -6.175 1.00 0.00 C ATOM 1478 C VAL A 95 4.415 3.700 -6.538 1.00 0.00 C ATOM 1479 O VAL A 95 4.878 2.925 -5.702 1.00 0.00 O ATOM 1480 CB VAL A 95 1.884 4.007 -6.429 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.764 5.013 -6.152 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.787 3.457 -7.853 1.00 0.00 C ATOM 0 H VAL A 95 2.636 6.045 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 95 3.318 4.824 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 95 1.763 3.172 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.202 4.544 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.814 5.336 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.881 5.877 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.801 3.018 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.940 4.266 -8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.551 2.694 -8.001 1.00 0.00 H new ATOM 1492 N SER A 96 4.849 3.805 -7.785 1.00 0.00 N ATOM 1493 CA SER A 96 5.944 2.981 -8.269 1.00 0.00 C ATOM 1494 C SER A 96 7.153 3.120 -7.342 1.00 0.00 C ATOM 1495 O SER A 96 7.160 3.966 -6.448 1.00 0.00 O ATOM 1496 CB SER A 96 6.326 3.359 -9.701 1.00 0.00 C ATOM 1497 OG SER A 96 7.378 4.320 -9.737 1.00 0.00 O ATOM 0 H SER A 96 4.462 4.448 -8.475 1.00 0.00 H new ATOM 0 HA SER A 96 5.615 1.942 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.634 2.464 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.452 3.758 -10.216 1.00 0.00 H new ATOM 0 HG SER A 96 7.076 5.152 -9.315 1.00 0.00 H new ATOM 1503 N GLN A 97 8.146 2.278 -7.586 1.00 0.00 N ATOM 1504 CA GLN A 97 9.358 2.297 -6.785 1.00 0.00 C ATOM 1505 C GLN A 97 9.102 1.652 -5.421 1.00 0.00 C ATOM 1506 O GLN A 97 9.997 1.596 -4.580 1.00 0.00 O ATOM 1507 CB GLN A 97 9.888 3.723 -6.626 1.00 0.00 C ATOM 1508 CG GLN A 97 11.275 3.866 -7.256 1.00 0.00 C ATOM 1509 CD GLN A 97 11.690 5.336 -7.343 1.00 0.00 C ATOM 1510 OE1 GLN A 97 10.975 6.179 -7.859 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.881 5.595 -6.812 1.00 0.00 N ATOM 0 H GLN A 97 8.136 1.578 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 97 10.122 1.717 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.198 4.425 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.937 3.981 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.005 3.313 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.272 3.426 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.428 4.842 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.247 6.547 -6.821 1.00 0.00 H new ATOM 1520 N TRP A 98 7.876 1.183 -5.245 1.00 0.00 N ATOM 1521 CA TRP A 98 7.491 0.544 -3.998 1.00 0.00 C ATOM 1522 C TRP A 98 6.162 -0.179 -4.227 1.00 0.00 C ATOM 1523 O TRP A 98 5.990 -1.319 -3.799 1.00 0.00 O ATOM 1524 CB TRP A 98 7.429 1.562 -2.857 1.00 0.00 C ATOM 1525 CG TRP A 98 6.416 2.687 -3.081 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.625 3.884 -3.647 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.019 2.671 -2.719 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.469 4.638 -3.675 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.462 3.877 -3.094 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.252 1.671 -2.096 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.114 4.195 -2.887 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.907 2.005 -1.897 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.331 3.214 -2.268 1.00 0.00 C ATOM 0 H TRP A 98 7.136 1.233 -5.945 1.00 0.00 H new ATOM 0 HA TRP A 98 8.238 -0.189 -3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.180 1.041 -1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.418 1.999 -2.720 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.578 4.217 -4.032 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.372 5.580 -4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.667 0.721 -1.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.701 5.146 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.273 1.271 -1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.283 3.396 -2.079 1.00 0.00 H new ATOM 1544 N MET A 99 5.257 0.515 -4.902 1.00 0.00 N ATOM 1545 CA MET A 99 3.949 -0.047 -5.193 1.00 0.00 C ATOM 1546 C MET A 99 4.053 -1.537 -5.523 1.00 0.00 C ATOM 1547 O MET A 99 3.325 -2.354 -4.960 1.00 0.00 O ATOM 1548 CB MET A 99 3.326 0.696 -6.377 1.00 0.00 C ATOM 1549 CG MET A 99 2.071 -0.022 -6.876 1.00 0.00 C ATOM 1550 SD MET A 99 0.961 -0.331 -5.512 1.00 0.00 S ATOM 1551 CE MET A 99 0.130 1.247 -5.426 1.00 0.00 C ATOM 0 H MET A 99 5.404 1.461 -5.255 1.00 0.00 H new ATOM 0 HA MET A 99 3.321 0.067 -4.310 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.073 1.714 -6.080 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.052 0.771 -7.186 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.572 0.584 -7.632 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.346 -0.963 -7.352 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.927 1.090 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.577 1.851 -4.636 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.232 1.764 -6.380 1.00 0.00 H new ATOM 1561 N VAL A 100 4.964 -1.847 -6.434 1.00 0.00 N ATOM 1562 CA VAL A 100 5.173 -3.225 -6.845 1.00 0.00 C ATOM 1563 C VAL A 100 5.135 -4.132 -5.614 1.00 0.00 C ATOM 1564 O VAL A 100 4.519 -5.196 -5.641 1.00 0.00 O ATOM 1565 CB VAL A 100 6.478 -3.343 -7.635 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.420 -2.512 -8.918 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.677 -2.939 -6.774 1.00 0.00 C ATOM 0 H VAL A 100 5.566 -1.167 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 100 4.374 -3.550 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 100 6.605 -4.388 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.360 -2.614 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.600 -2.865 -9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.258 -1.464 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.592 -3.032 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.558 -1.906 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.735 -3.591 -5.903 1.00 0.00 H new ATOM 1577 N GLY A 101 5.801 -3.677 -4.563 1.00 0.00 N ATOM 1578 CA GLY A 101 5.851 -4.434 -3.324 1.00 0.00 C ATOM 1579 C GLY A 101 4.452 -4.602 -2.727 1.00 0.00 C ATOM 1580 O GLY A 101 3.897 -5.700 -2.736 1.00 0.00 O ATOM 0 H GLY A 101 6.310 -2.794 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.291 -5.414 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.497 -3.925 -2.609 1.00 0.00 H new ATOM 1584 N VAL A 102 3.922 -3.498 -2.223 1.00 0.00 N ATOM 1585 CA VAL A 102 2.598 -3.509 -1.624 1.00 0.00 C ATOM 1586 C VAL A 102 1.672 -4.394 -2.460 1.00 0.00 C ATOM 1587 O VAL A 102 1.028 -5.299 -1.932 1.00 0.00 O ATOM 1588 CB VAL A 102 2.081 -2.077 -1.471 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.637 -2.068 -0.965 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.990 -1.261 -0.550 1.00 0.00 C ATOM 0 H VAL A 102 4.385 -2.589 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 102 2.636 -3.935 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 102 2.095 -1.608 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.293 -1.039 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.000 -2.596 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.588 -2.563 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.600 -0.247 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.023 -1.727 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.996 -1.226 -0.969 1.00 0.00 H new ATOM 1600 N LYS A 103 1.633 -4.100 -3.752 1.00 0.00 N ATOM 1601 CA LYS A 103 0.796 -4.858 -4.667 1.00 0.00 C ATOM 1602 C LYS A 103 0.872 -6.344 -4.309 1.00 0.00 C ATOM 1603 O LYS A 103 -0.149 -6.973 -4.038 1.00 0.00 O ATOM 1604 CB LYS A 103 1.176 -4.554 -6.117 1.00 0.00 C ATOM 1605 CG LYS A 103 0.360 -5.408 -7.089 1.00 0.00 C ATOM 1606 CD LYS A 103 1.228 -6.494 -7.727 1.00 0.00 C ATOM 1607 CE LYS A 103 1.736 -6.053 -9.101 1.00 0.00 C ATOM 1608 NZ LYS A 103 3.188 -6.311 -9.225 1.00 0.00 N ATOM 0 H LYS A 103 2.167 -3.348 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.247 -4.559 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.008 -3.498 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.239 -4.743 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.475 -5.868 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.065 -4.774 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.074 -6.717 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.651 -7.414 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.198 -6.588 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.536 -4.991 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.516 -6.006 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.699 -5.781 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.371 -7.328 -9.108 1.00 0.00 H new ATOM 1622 N ARG A 104 2.092 -6.861 -4.321 1.00 0.00 N ATOM 1623 CA ARG A 104 2.315 -8.260 -4.001 1.00 0.00 C ATOM 1624 C ARG A 104 1.766 -8.581 -2.609 1.00 0.00 C ATOM 1625 O ARG A 104 1.032 -9.552 -2.436 1.00 0.00 O ATOM 1626 CB ARG A 104 3.804 -8.606 -4.047 1.00 0.00 C ATOM 1627 CG ARG A 104 4.025 -10.108 -3.856 1.00 0.00 C ATOM 1628 CD ARG A 104 3.565 -10.891 -5.088 1.00 0.00 C ATOM 1629 NE ARG A 104 4.625 -10.877 -6.120 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.529 -11.499 -7.304 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.422 -12.187 -7.611 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.541 -11.433 -8.179 1.00 0.00 N ATOM 0 H ARG A 104 2.936 -6.336 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 104 1.792 -8.857 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.225 -8.292 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.333 -8.055 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.081 -10.303 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.478 -10.451 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.330 -11.918 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.651 -10.452 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 104 5.482 -10.362 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.652 -12.238 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.349 -12.660 -8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.385 -10.910 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.468 -11.906 -9.080 1.00 0.00 H new ATOM 1646 N LEU A 105 2.144 -7.745 -1.653 1.00 0.00 N ATOM 1647 CA LEU A 105 1.699 -7.927 -0.282 1.00 0.00 C ATOM 1648 C LEU A 105 0.222 -8.324 -0.278 1.00 0.00 C ATOM 1649 O LEU A 105 -0.140 -9.380 0.239 1.00 0.00 O ATOM 1650 CB LEU A 105 2.003 -6.680 0.550 1.00 0.00 C ATOM 1651 CG LEU A 105 1.926 -6.851 2.069 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.275 -6.551 2.724 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.800 -6.000 2.660 1.00 0.00 C ATOM 0 H LEU A 105 2.753 -6.940 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 105 2.249 -8.740 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.004 -6.332 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.307 -5.894 0.257 1.00 0.00 H new ATOM 0 HG LEU A 105 1.689 -7.893 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.192 -6.680 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.029 -7.234 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.567 -5.524 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.767 -6.140 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.982 -4.949 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.152 -6.304 2.226 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.593 -7.456 -0.860 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.023 -7.703 -0.930 1.00 0.00 C ATOM 1667 C ILE A 106 -2.267 -9.176 -1.262 1.00 0.00 C ATOM 1668 O ILE A 106 -2.846 -9.909 -0.462 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.687 -6.733 -1.910 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.527 -5.285 -1.442 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.153 -7.103 -2.139 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.614 -4.315 -2.622 1.00 0.00 C ATOM 0 H ILE A 106 -0.290 -6.581 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.490 -7.513 0.036 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.180 -6.818 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.302 -5.047 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.568 -5.166 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.601 -6.398 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.214 -8.111 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.690 -7.064 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.497 -3.293 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.823 -4.540 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.584 -4.420 -3.108 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.811 -9.566 -2.444 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.972 -10.939 -2.891 1.00 0.00 C ATOM 1686 C ALA A 107 -1.654 -11.889 -1.735 1.00 0.00 C ATOM 1687 O ALA A 107 -2.480 -12.724 -1.368 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.082 -11.186 -4.111 1.00 0.00 C ATOM 0 H ALA A 107 -1.331 -8.955 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.002 -11.125 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.202 -12.216 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.369 -10.507 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.040 -11.011 -3.843 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.456 -11.729 -1.192 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.019 -12.563 -0.085 1.00 0.00 C ATOM 1696 C GLU A 108 -1.074 -12.568 1.024 1.00 0.00 C ATOM 1697 O GLU A 108 -1.619 -13.617 1.362 1.00 0.00 O ATOM 1698 CB GLU A 108 1.336 -12.097 0.450 1.00 0.00 C ATOM 1699 CG GLU A 108 2.425 -12.239 -0.616 1.00 0.00 C ATOM 1700 CD GLU A 108 2.451 -13.658 -1.186 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.080 -14.581 -0.429 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.843 -13.788 -2.366 1.00 0.00 O ATOM 0 H GLU A 108 0.225 -11.034 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 108 0.102 -13.583 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.267 -11.057 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.605 -12.682 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.248 -11.524 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.396 -11.999 -0.183 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.330 -11.383 1.559 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.309 -11.238 2.622 1.00 0.00 C ATOM 1711 C LYS A 109 -3.561 -12.044 2.270 1.00 0.00 C ATOM 1712 O LYS A 109 -4.007 -12.880 3.055 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.587 -9.759 2.896 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.395 -9.096 3.588 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.317 -9.506 5.060 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.457 -8.879 5.865 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.327 -9.220 7.300 1.00 0.00 N ATOM 0 H LYS A 109 -0.876 -10.515 1.276 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.920 -11.644 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.799 -9.245 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.475 -9.662 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.473 -9.377 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.483 -8.012 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.364 -10.592 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.359 -9.196 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.446 -7.796 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.416 -9.234 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.273 -9.324 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.804 -10.114 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.812 -8.462 7.792 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.093 -11.765 1.089 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.285 -12.454 0.624 1.00 0.00 C ATOM 1733 C LYS A 110 -5.081 -13.964 0.758 1.00 0.00 C ATOM 1734 O LYS A 110 -5.930 -14.662 1.310 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.643 -12.005 -0.795 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.779 -12.855 -1.368 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.059 -12.484 -2.825 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.109 -13.415 -3.436 1.00 0.00 C ATOM 1739 NZ LYS A 110 -7.709 -13.822 -4.802 1.00 0.00 N ATOM 0 H LYS A 110 -3.721 -11.071 0.440 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.143 -12.192 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.938 -10.956 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.766 -12.083 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.517 -13.911 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.681 -12.712 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.406 -11.452 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.136 -12.542 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.230 -14.298 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.075 -12.912 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.432 -14.453 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.616 -12.978 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.797 -14.321 -4.763 1.00 0.00 H new ATOM 1753 N SER A 111 -3.950 -14.424 0.244 1.00 0.00 N ATOM 1754 CA SER A 111 -3.623 -15.839 0.299 1.00 0.00 C ATOM 1755 C SER A 111 -3.860 -16.376 1.712 1.00 0.00 C ATOM 1756 O SER A 111 -4.578 -17.358 1.895 1.00 0.00 O ATOM 1757 CB SER A 111 -2.175 -16.087 -0.127 1.00 0.00 C ATOM 1758 OG SER A 111 -2.091 -16.952 -1.256 1.00 0.00 O ATOM 0 H SER A 111 -3.248 -13.842 -0.213 1.00 0.00 H new ATOM 0 HA SER A 111 -4.273 -16.368 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.699 -15.135 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.622 -16.522 0.705 1.00 0.00 H new ATOM 0 HG SER A 111 -1.150 -17.084 -1.498 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.244 -15.707 2.676 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.379 -16.105 4.067 1.00 0.00 C ATOM 1766 C LEU A 112 -4.845 -16.431 4.360 1.00 0.00 C ATOM 1767 O LEU A 112 -5.182 -17.576 4.658 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.791 -15.035 4.989 1.00 0.00 C ATOM 1769 CG LEU A 112 -1.285 -14.796 4.864 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.860 -13.556 5.653 1.00 0.00 C ATOM 1771 CD2 LEU A 112 -0.496 -16.038 5.280 1.00 0.00 C ATOM 0 H LEU A 112 -2.650 -14.892 2.521 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.806 -17.011 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.305 -14.094 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.011 -15.312 6.020 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.055 -14.606 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.215 -13.408 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.386 -12.682 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.106 -13.693 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.571 -15.841 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.725 -16.284 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.771 -16.875 4.639 1.00 0.00 H new ATOM 1783 N SER A 113 -5.677 -15.405 4.264 1.00 0.00 N ATOM 1784 CA SER A 113 -7.099 -15.568 4.514 1.00 0.00 C ATOM 1785 C SER A 113 -7.619 -16.811 3.789 1.00 0.00 C ATOM 1786 O SER A 113 -8.091 -17.752 4.425 1.00 0.00 O ATOM 1787 CB SER A 113 -7.882 -14.330 4.073 1.00 0.00 C ATOM 1788 OG SER A 113 -8.474 -13.650 5.177 1.00 0.00 O ATOM 0 H SER A 113 -5.394 -14.457 4.016 1.00 0.00 H new ATOM 0 HA SER A 113 -7.245 -15.693 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.215 -13.649 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.661 -14.625 3.370 1.00 0.00 H new ATOM 0 HG SER A 113 -9.297 -13.206 4.884 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.514 -16.774 2.469 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.968 -17.886 1.651 1.00 0.00 C ATOM 1796 C GLY A 114 -9.495 -17.910 1.556 1.00 0.00 C ATOM 1797 O GLY A 114 -10.148 -18.727 2.204 1.00 0.00 O ATOM 0 H GLY A 114 -7.121 -15.992 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.539 -17.806 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.612 -18.824 2.077 1.00 0.00 H new ATOM 1801 N PRO A 115 -10.033 -16.980 0.723 1.00 0.00 N ATOM 1802 CA PRO A 115 -11.471 -16.887 0.535 1.00 0.00 C ATOM 1803 C PRO A 115 -11.984 -18.027 -0.348 1.00 0.00 C ATOM 1804 O PRO A 115 -11.242 -18.562 -1.170 1.00 0.00 O ATOM 1805 CB PRO A 115 -11.700 -15.514 -0.075 1.00 0.00 C ATOM 1806 CG PRO A 115 -10.356 -15.077 -0.634 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.291 -15.997 -0.060 1.00 0.00 C ATOM 0 HA PRO A 115 -12.025 -16.991 1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.455 -15.557 -0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.059 -14.809 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.360 -15.130 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.150 -14.041 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.713 -16.475 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.585 -15.446 0.562 1.00 0.00 H new ATOM 1815 N SER A 116 -13.249 -18.364 -0.148 1.00 0.00 N ATOM 1816 CA SER A 116 -13.870 -19.431 -0.916 1.00 0.00 C ATOM 1817 C SER A 116 -13.724 -19.151 -2.413 1.00 0.00 C ATOM 1818 O SER A 116 -14.110 -18.084 -2.889 1.00 0.00 O ATOM 1819 CB SER A 116 -15.346 -19.588 -0.547 1.00 0.00 C ATOM 1820 OG SER A 116 -16.132 -18.495 -1.014 1.00 0.00 O ATOM 0 H SER A 116 -13.862 -17.918 0.535 1.00 0.00 H new ATOM 0 HA SER A 116 -13.362 -20.365 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.729 -20.517 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.443 -19.668 0.536 1.00 0.00 H new ATOM 0 HG SER A 116 -15.626 -17.992 -1.686 1.00 0.00 H new ATOM 1826 N SER A 117 -13.165 -20.127 -3.113 1.00 0.00 N ATOM 1827 CA SER A 117 -12.963 -19.999 -4.546 1.00 0.00 C ATOM 1828 C SER A 117 -14.312 -19.854 -5.254 1.00 0.00 C ATOM 1829 O SER A 117 -15.349 -20.215 -4.700 1.00 0.00 O ATOM 1830 CB SER A 117 -12.197 -21.200 -5.104 1.00 0.00 C ATOM 1831 OG SER A 117 -10.889 -21.304 -4.549 1.00 0.00 O ATOM 0 H SER A 117 -12.846 -21.010 -2.714 1.00 0.00 H new ATOM 0 HA SER A 117 -12.366 -19.105 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.753 -22.114 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.125 -21.112 -6.188 1.00 0.00 H new ATOM 0 HG SER A 117 -10.433 -22.084 -4.929 1.00 0.00 H new ATOM 1837 N GLY A 118 -14.253 -19.324 -6.467 1.00 0.00 N ATOM 1838 CA GLY A 118 -15.458 -19.127 -7.256 1.00 0.00 C ATOM 1839 C GLY A 118 -15.178 -18.239 -8.470 1.00 0.00 C ATOM 1840 O GLY A 118 -15.808 -18.394 -9.515 1.00 0.00 O ATOM 0 H GLY A 118 -13.391 -19.025 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.842 -20.092 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.231 -18.671 -6.638 1.00 0.00 H new TER 1844 GLY A 118