USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=26 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 HD1:sc= -1.67 F(o=-5.1!,f=-2.4) USER MOD Set 1.2: A 99 MET CE :methyl 142:sc= -0.757 (180deg=-3.16!) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.967! K(o=-0.92!,f=-5.5) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 148:sc= 0.0497 (180deg=0) USER MOD Set 3.1: A 29 CYS SG : rot 180:sc= -0.116 USER MOD Set 3.2: A 33 THR OG1 : rot -113:sc= -0.245 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.0257 USER MOD Single : A 11 SER OG : rot 90:sc= 0.624 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00728 X(o=-0.0073,f=-0.00063) USER MOD Single : A 32 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.57) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.19 (180deg=-0.857) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -110:sc= -0.751 USER MOD Single : A 42 SER OG : rot -69:sc= -0.59 USER MOD Single : A 51 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.902 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -5.78! (180deg=-6.85!) USER MOD Single : A 65 MET CE :methyl -170:sc= -2.61! (180deg=-3.11!) USER MOD Single : A 70 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.6) USER MOD Single : A 74 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-2.5!) USER MOD Single : A 76 GLN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 155:sc=-0.00618 (180deg=-0.78) USER MOD Single : A 91 HIS : no HD1:sc= -8.44! C(o=-8.4!,f=-8.8!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -37:sc= -0.632 USER MOD Single : A 97 GLN : amide:sc= -2.65! C(o=-2.7!,f=-7.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0.00201 (180deg=0.0013) 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 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.641 6.424 -6.117 1.00 0.00 N ATOM 2 CA GLY A 1 -34.280 5.937 -5.970 1.00 0.00 C ATOM 3 C GLY A 1 -33.365 6.537 -7.039 1.00 0.00 C ATOM 4 O GLY A 1 -33.146 5.929 -8.086 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.242 6.002 -5.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.651 7.460 -6.022 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.005 6.159 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.904 6.192 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.269 4.850 -6.045 1.00 0.00 H new ATOM 8 N SER A 2 -32.855 7.722 -6.739 1.00 0.00 N ATOM 9 CA SER A 2 -31.968 8.411 -7.661 1.00 0.00 C ATOM 10 C SER A 2 -30.765 8.979 -6.906 1.00 0.00 C ATOM 11 O SER A 2 -30.858 9.274 -5.715 1.00 0.00 O ATOM 12 CB SER A 2 -32.705 9.529 -8.403 1.00 0.00 C ATOM 13 OG SER A 2 -32.889 10.681 -7.585 1.00 0.00 O ATOM 0 H SER A 2 -33.039 8.223 -5.870 1.00 0.00 H new ATOM 0 HA SER A 2 -31.617 7.690 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.143 9.804 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.676 9.163 -8.738 1.00 0.00 H new ATOM 0 HG SER A 2 -33.361 11.372 -8.095 1.00 0.00 H new ATOM 19 N SER A 3 -29.663 9.114 -7.628 1.00 0.00 N ATOM 20 CA SER A 3 -28.443 9.641 -7.041 1.00 0.00 C ATOM 21 C SER A 3 -27.346 9.730 -8.104 1.00 0.00 C ATOM 22 O SER A 3 -27.503 9.210 -9.207 1.00 0.00 O ATOM 23 CB SER A 3 -27.977 8.775 -5.869 1.00 0.00 C ATOM 24 OG SER A 3 -27.417 9.557 -4.817 1.00 0.00 O ATOM 0 H SER A 3 -29.589 8.867 -8.615 1.00 0.00 H new ATOM 0 HA SER A 3 -28.652 10.640 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.820 8.201 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.236 8.057 -6.221 1.00 0.00 H new ATOM 0 HG SER A 3 -27.133 8.968 -4.087 1.00 0.00 H new ATOM 30 N GLY A 4 -26.261 10.394 -7.734 1.00 0.00 N ATOM 31 CA GLY A 4 -25.138 10.558 -8.642 1.00 0.00 C ATOM 32 C GLY A 4 -23.823 10.170 -7.964 1.00 0.00 C ATOM 33 O GLY A 4 -23.785 9.239 -7.161 1.00 0.00 O ATOM 0 H GLY A 4 -26.135 10.825 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.290 9.942 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.086 11.593 -8.978 1.00 0.00 H new ATOM 37 N SER A 5 -22.776 10.904 -8.311 1.00 0.00 N ATOM 38 CA SER A 5 -21.462 10.649 -7.745 1.00 0.00 C ATOM 39 C SER A 5 -20.637 11.937 -7.737 1.00 0.00 C ATOM 40 O SER A 5 -20.743 12.753 -8.651 1.00 0.00 O ATOM 41 CB SER A 5 -20.730 9.555 -8.525 1.00 0.00 C ATOM 42 OG SER A 5 -20.050 8.648 -7.661 1.00 0.00 O ATOM 0 H SER A 5 -22.811 11.676 -8.977 1.00 0.00 H new ATOM 0 HA SER A 5 -21.592 10.302 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.445 9.006 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.013 10.013 -9.206 1.00 0.00 H new ATOM 0 HG SER A 5 -19.597 7.964 -8.196 1.00 0.00 H new ATOM 48 N SER A 6 -19.833 12.080 -6.694 1.00 0.00 N ATOM 49 CA SER A 6 -18.990 13.255 -6.554 1.00 0.00 C ATOM 50 C SER A 6 -17.789 12.935 -5.662 1.00 0.00 C ATOM 51 O SER A 6 -17.829 11.987 -4.878 1.00 0.00 O ATOM 52 CB SER A 6 -19.778 14.434 -5.980 1.00 0.00 C ATOM 53 OG SER A 6 -20.156 15.366 -6.989 1.00 0.00 O ATOM 0 H SER A 6 -19.747 11.401 -5.937 1.00 0.00 H new ATOM 0 HA SER A 6 -18.634 13.539 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.671 14.063 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.175 14.940 -5.226 1.00 0.00 H new ATOM 0 HG SER A 6 -20.459 14.881 -7.785 1.00 0.00 H new ATOM 59 N GLY A 7 -16.749 13.742 -5.810 1.00 0.00 N ATOM 60 CA GLY A 7 -15.539 13.557 -5.027 1.00 0.00 C ATOM 61 C GLY A 7 -15.594 14.370 -3.733 1.00 0.00 C ATOM 62 O GLY A 7 -16.349 15.336 -3.634 1.00 0.00 O ATOM 0 H GLY A 7 -16.719 14.526 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.412 12.500 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.672 13.859 -5.614 1.00 0.00 H new ATOM 66 N VAL A 8 -14.784 13.950 -2.772 1.00 0.00 N ATOM 67 CA VAL A 8 -14.730 14.627 -1.488 1.00 0.00 C ATOM 68 C VAL A 8 -13.421 14.268 -0.781 1.00 0.00 C ATOM 69 O VAL A 8 -12.920 13.154 -0.924 1.00 0.00 O ATOM 70 CB VAL A 8 -15.970 14.281 -0.662 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.192 12.768 -0.613 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.870 14.866 0.748 1.00 0.00 C ATOM 0 H VAL A 8 -14.159 13.148 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.739 15.708 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.834 14.731 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.080 12.550 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.329 12.387 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.325 12.288 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.764 14.605 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.992 14.459 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.783 15.951 0.687 1.00 0.00 H new ATOM 82 N ILE A 9 -12.905 15.233 -0.035 1.00 0.00 N ATOM 83 CA ILE A 9 -11.665 15.033 0.695 1.00 0.00 C ATOM 84 C ILE A 9 -11.769 15.705 2.065 1.00 0.00 C ATOM 85 O ILE A 9 -12.234 16.839 2.170 1.00 0.00 O ATOM 86 CB ILE A 9 -10.472 15.512 -0.136 1.00 0.00 C ATOM 87 CG1 ILE A 9 -10.244 14.602 -1.344 1.00 0.00 C ATOM 88 CG2 ILE A 9 -9.217 15.639 0.730 1.00 0.00 C ATOM 89 CD1 ILE A 9 -9.243 15.225 -2.319 1.00 0.00 C ATOM 0 H ILE A 9 -13.323 16.156 0.080 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.495 13.971 0.874 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.701 16.506 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.875 13.632 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.191 14.424 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.384 15.981 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.398 16.358 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.974 14.669 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.099 14.558 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.626 16.183 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.290 15.379 -1.813 1.00 0.00 H new ATOM 101 N GLU A 10 -11.330 14.977 3.081 1.00 0.00 N ATOM 102 CA GLU A 10 -11.368 15.489 4.440 1.00 0.00 C ATOM 103 C GLU A 10 -10.627 14.541 5.385 1.00 0.00 C ATOM 104 O GLU A 10 -10.445 13.365 5.074 1.00 0.00 O ATOM 105 CB GLU A 10 -12.810 15.708 4.903 1.00 0.00 C ATOM 106 CG GLU A 10 -13.551 14.376 5.036 1.00 0.00 C ATOM 107 CD GLU A 10 -14.364 14.329 6.332 1.00 0.00 C ATOM 108 OE1 GLU A 10 -13.723 14.247 7.402 1.00 0.00 O ATOM 109 OE2 GLU A 10 -15.609 14.376 6.223 1.00 0.00 O ATOM 0 H GLU A 10 -10.946 14.036 2.990 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.864 16.456 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.813 16.227 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.331 16.349 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.213 14.237 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.835 13.554 5.021 1.00 0.00 H new ATOM 116 N SER A 11 -10.220 15.088 6.521 1.00 0.00 N ATOM 117 CA SER A 11 -9.503 14.306 7.514 1.00 0.00 C ATOM 118 C SER A 11 -8.191 13.785 6.922 1.00 0.00 C ATOM 119 O SER A 11 -8.198 12.874 6.095 1.00 0.00 O ATOM 120 CB SER A 11 -10.356 13.141 8.019 1.00 0.00 C ATOM 121 OG SER A 11 -11.329 13.565 8.971 1.00 0.00 O ATOM 0 H SER A 11 -10.373 16.064 6.776 1.00 0.00 H new ATOM 0 HA SER A 11 -9.281 14.953 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.857 12.666 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.710 12.388 8.471 1.00 0.00 H new ATOM 0 HG SER A 11 -12.156 13.810 8.506 1.00 0.00 H new ATOM 127 N GLU A 12 -7.098 14.385 7.369 1.00 0.00 N ATOM 128 CA GLU A 12 -5.782 13.993 6.894 1.00 0.00 C ATOM 129 C GLU A 12 -5.474 12.553 7.311 1.00 0.00 C ATOM 130 O GLU A 12 -6.265 11.924 8.012 1.00 0.00 O ATOM 131 CB GLU A 12 -4.706 14.953 7.404 1.00 0.00 C ATOM 132 CG GLU A 12 -4.622 14.921 8.931 1.00 0.00 C ATOM 133 CD GLU A 12 -4.483 16.333 9.503 1.00 0.00 C ATOM 134 OE1 GLU A 12 -5.438 17.117 9.317 1.00 0.00 O ATOM 135 OE2 GLU A 12 -3.424 16.596 10.114 1.00 0.00 O ATOM 0 H GLU A 12 -7.097 15.140 8.055 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.781 14.044 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.740 14.682 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.929 15.966 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.515 14.446 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.770 14.315 9.239 1.00 0.00 H new ATOM 142 N THR A 13 -4.324 12.074 6.861 1.00 0.00 N ATOM 143 CA THR A 13 -3.902 10.720 7.179 1.00 0.00 C ATOM 144 C THR A 13 -2.445 10.712 7.646 1.00 0.00 C ATOM 145 O THR A 13 -1.629 11.495 7.162 1.00 0.00 O ATOM 146 CB THR A 13 -4.150 9.846 5.948 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.550 9.585 5.984 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.509 8.463 6.073 1.00 0.00 C ATOM 0 H THR A 13 -3.671 12.599 6.279 1.00 0.00 H new ATOM 0 HA THR A 13 -4.479 10.310 8.008 1.00 0.00 H new ATOM 0 HB THR A 13 -3.760 10.348 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.798 9.025 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.715 7.884 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.431 8.571 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.923 7.947 6.939 1.00 0.00 H new ATOM 156 N LEU A 14 -2.163 9.818 8.583 1.00 0.00 N ATOM 157 CA LEU A 14 -0.818 9.697 9.121 1.00 0.00 C ATOM 158 C LEU A 14 -0.101 8.534 8.433 1.00 0.00 C ATOM 159 O LEU A 14 -0.732 7.550 8.049 1.00 0.00 O ATOM 160 CB LEU A 14 -0.861 9.578 10.646 1.00 0.00 C ATOM 161 CG LEU A 14 -1.574 10.710 11.388 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.343 10.174 12.597 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.591 11.815 11.778 1.00 0.00 C ATOM 0 H LEU A 14 -2.842 9.171 8.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.240 10.597 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.349 8.638 10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.163 9.517 11.015 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.305 11.154 10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.841 10.999 13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.088 9.452 12.263 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.649 9.689 13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.124 12.607 12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.180 11.403 12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.128 12.224 10.880 1.00 0.00 H new ATOM 175 N ILE A 15 1.209 8.686 8.298 1.00 0.00 N ATOM 176 CA ILE A 15 2.019 7.660 7.663 1.00 0.00 C ATOM 177 C ILE A 15 2.006 6.398 8.527 1.00 0.00 C ATOM 178 O ILE A 15 1.808 5.295 8.019 1.00 0.00 O ATOM 179 CB ILE A 15 3.424 8.192 7.372 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.212 7.210 6.502 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.162 8.529 8.669 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.613 7.746 6.202 1.00 0.00 C ATOM 0 H ILE A 15 1.729 9.503 8.617 1.00 0.00 H new ATOM 0 HA ILE A 15 1.599 7.387 6.695 1.00 0.00 H new ATOM 0 HB ILE A 15 3.329 9.119 6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.288 6.248 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.678 7.036 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.158 8.905 8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.607 9.291 9.216 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.248 7.632 9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.152 7.029 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.534 8.696 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.153 7.896 7.137 1.00 0.00 H new ATOM 194 N GLU A 16 2.219 6.601 9.819 1.00 0.00 N ATOM 195 CA GLU A 16 2.234 5.493 10.758 1.00 0.00 C ATOM 196 C GLU A 16 0.855 4.836 10.826 1.00 0.00 C ATOM 197 O GLU A 16 0.704 3.759 11.401 1.00 0.00 O ATOM 198 CB GLU A 16 2.691 5.955 12.144 1.00 0.00 C ATOM 199 CG GLU A 16 4.146 6.425 12.113 1.00 0.00 C ATOM 200 CD GLU A 16 4.649 6.745 13.523 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.325 5.954 14.434 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.345 7.775 13.657 1.00 0.00 O ATOM 0 H GLU A 16 2.383 7.517 10.237 1.00 0.00 H new ATOM 0 HA GLU A 16 2.950 4.752 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.050 6.766 12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.584 5.138 12.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.772 5.653 11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.233 7.310 11.482 1.00 0.00 H new ATOM 209 N ASP A 17 -0.117 5.512 10.231 1.00 0.00 N ATOM 210 CA ASP A 17 -1.480 5.007 10.217 1.00 0.00 C ATOM 211 C ASP A 17 -1.680 4.127 8.981 1.00 0.00 C ATOM 212 O ASP A 17 -2.479 3.192 9.004 1.00 0.00 O ATOM 213 CB ASP A 17 -2.491 6.153 10.151 1.00 0.00 C ATOM 214 CG ASP A 17 -3.219 6.450 11.463 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.551 6.357 12.516 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.427 6.762 11.384 1.00 0.00 O ATOM 0 H ASP A 17 0.012 6.405 9.755 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.639 4.439 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.973 7.056 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.232 5.920 9.387 1.00 0.00 H new ATOM 221 N VAL A 18 -0.942 4.458 7.932 1.00 0.00 N ATOM 222 CA VAL A 18 -1.028 3.710 6.690 1.00 0.00 C ATOM 223 C VAL A 18 0.092 2.669 6.647 1.00 0.00 C ATOM 224 O VAL A 18 0.029 1.716 5.872 1.00 0.00 O ATOM 225 CB VAL A 18 -0.999 4.670 5.498 1.00 0.00 C ATOM 226 CG1 VAL A 18 -1.022 3.902 4.175 1.00 0.00 C ATOM 227 CG2 VAL A 18 -2.154 5.670 5.571 1.00 0.00 C ATOM 0 H VAL A 18 -0.281 5.235 7.917 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.974 3.171 6.634 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.066 5.232 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.001 4.607 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.151 3.248 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.930 3.302 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.110 6.340 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.102 5.132 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.074 6.251 6.490 1.00 0.00 H new ATOM 237 N LEU A 19 1.091 2.887 7.489 1.00 0.00 N ATOM 238 CA LEU A 19 2.224 1.980 7.557 1.00 0.00 C ATOM 239 C LEU A 19 1.957 0.917 8.625 1.00 0.00 C ATOM 240 O LEU A 19 2.320 -0.246 8.452 1.00 0.00 O ATOM 241 CB LEU A 19 3.523 2.759 7.777 1.00 0.00 C ATOM 242 CG LEU A 19 4.171 3.349 6.523 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.182 2.372 5.918 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.111 3.778 5.507 1.00 0.00 C ATOM 0 H LEU A 19 1.139 3.679 8.130 1.00 0.00 H new ATOM 0 HA LEU A 19 2.350 1.457 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.322 3.572 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.244 2.097 8.257 1.00 0.00 H new ATOM 0 HG LEU A 19 4.720 4.245 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.628 2.815 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.963 2.158 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.675 1.446 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.599 4.194 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.514 2.913 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.464 4.533 5.953 1.00 0.00 H new ATOM 256 N ARG A 20 1.325 1.354 9.704 1.00 0.00 N ATOM 257 CA ARG A 20 1.005 0.454 10.799 1.00 0.00 C ATOM 258 C ARG A 20 0.502 -0.885 10.256 1.00 0.00 C ATOM 259 O ARG A 20 0.999 -1.942 10.643 1.00 0.00 O ATOM 260 CB ARG A 20 -0.061 1.058 11.715 1.00 0.00 C ATOM 261 CG ARG A 20 0.537 1.455 13.066 1.00 0.00 C ATOM 262 CD ARG A 20 0.986 0.220 13.851 1.00 0.00 C ATOM 263 NE ARG A 20 1.115 0.552 15.287 1.00 0.00 N ATOM 264 CZ ARG A 20 0.082 0.863 16.082 1.00 0.00 C ATOM 265 NH1 ARG A 20 -1.162 0.886 15.585 1.00 0.00 N ATOM 266 NH2 ARG A 20 0.293 1.151 17.373 1.00 0.00 N ATOM 0 H ARG A 20 1.026 2.319 9.844 1.00 0.00 H new ATOM 0 HA ARG A 20 1.916 0.297 11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.502 1.933 11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.865 0.338 11.867 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.386 2.120 12.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.201 2.010 13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.265 -0.587 13.719 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.940 -0.139 13.465 1.00 0.00 H new ATOM 0 HE ARG A 20 2.049 0.544 15.698 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.323 0.667 14.602 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.949 1.123 16.190 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.240 1.134 17.751 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.493 1.388 17.978 1.00 0.00 H new ATOM 280 N PRO A 21 -0.503 -0.795 9.345 1.00 0.00 N ATOM 281 CA PRO A 21 -1.079 -1.987 8.745 1.00 0.00 C ATOM 282 C PRO A 21 -0.137 -2.583 7.698 1.00 0.00 C ATOM 283 O PRO A 21 0.198 -3.765 7.760 1.00 0.00 O ATOM 284 CB PRO A 21 -2.406 -1.531 8.160 1.00 0.00 C ATOM 285 CG PRO A 21 -2.312 -0.018 8.044 1.00 0.00 C ATOM 286 CD PRO A 21 -1.117 0.439 8.864 1.00 0.00 C ATOM 0 HA PRO A 21 -1.232 -2.790 9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.581 -1.987 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.237 -1.823 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.195 0.278 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.226 0.450 8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.420 1.018 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.426 1.077 9.692 1.00 0.00 H new ATOM 294 N LEU A 22 0.265 -1.738 6.760 1.00 0.00 N ATOM 295 CA LEU A 22 1.162 -2.166 5.700 1.00 0.00 C ATOM 296 C LEU A 22 2.291 -3.005 6.302 1.00 0.00 C ATOM 297 O LEU A 22 2.744 -3.973 5.693 1.00 0.00 O ATOM 298 CB LEU A 22 1.652 -0.962 4.894 1.00 0.00 C ATOM 299 CG LEU A 22 0.799 -0.572 3.685 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.191 0.811 3.161 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.873 -1.641 2.593 1.00 0.00 C ATOM 0 H LEU A 22 -0.014 -0.758 6.712 1.00 0.00 H new ATOM 0 HA LEU A 22 0.636 -2.803 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.714 -0.103 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.664 -1.170 4.548 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.241 -0.512 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.570 1.064 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.044 1.553 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.239 0.803 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.258 -1.339 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.907 -1.758 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.507 -2.589 2.987 1.00 0.00 H new ATOM 313 N GLU A 23 2.714 -2.602 7.492 1.00 0.00 N ATOM 314 CA GLU A 23 3.782 -3.304 8.183 1.00 0.00 C ATOM 315 C GLU A 23 3.261 -4.617 8.772 1.00 0.00 C ATOM 316 O GLU A 23 3.895 -5.661 8.628 1.00 0.00 O ATOM 317 CB GLU A 23 4.404 -2.425 9.269 1.00 0.00 C ATOM 318 CG GLU A 23 5.442 -1.471 8.675 1.00 0.00 C ATOM 319 CD GLU A 23 6.257 -0.791 9.777 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.680 -1.519 10.701 1.00 0.00 O ATOM 321 OE2 GLU A 23 6.438 0.441 9.671 1.00 0.00 O ATOM 0 H GLU A 23 2.336 -1.799 7.994 1.00 0.00 H new ATOM 0 HA GLU A 23 4.563 -3.538 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.623 -1.852 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.874 -3.053 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.109 -2.021 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.942 -0.716 8.069 1.00 0.00 H new ATOM 328 N GLN A 24 2.111 -4.520 9.422 1.00 0.00 N ATOM 329 CA GLN A 24 1.497 -5.687 10.034 1.00 0.00 C ATOM 330 C GLN A 24 1.485 -6.858 9.049 1.00 0.00 C ATOM 331 O GLN A 24 1.649 -8.010 9.448 1.00 0.00 O ATOM 332 CB GLN A 24 0.083 -5.368 10.524 1.00 0.00 C ATOM 333 CG GLN A 24 0.103 -4.249 11.567 1.00 0.00 C ATOM 334 CD GLN A 24 -0.413 -4.749 12.918 1.00 0.00 C ATOM 335 OE1 GLN A 24 -1.549 -5.169 13.061 1.00 0.00 O ATOM 336 NE2 GLN A 24 0.483 -4.679 13.898 1.00 0.00 N ATOM 0 H GLN A 24 1.588 -3.652 9.539 1.00 0.00 H new ATOM 0 HA GLN A 24 2.091 -5.974 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.540 -5.072 9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.367 -6.263 10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.119 -3.870 11.679 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.512 -3.417 11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.418 -4.317 13.710 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.236 -4.988 14.838 1.00 0.00 H new ATOM 345 N ALA A 25 1.290 -6.522 7.783 1.00 0.00 N ATOM 346 CA ALA A 25 1.254 -7.532 6.738 1.00 0.00 C ATOM 347 C ALA A 25 2.664 -8.085 6.522 1.00 0.00 C ATOM 348 O ALA A 25 2.864 -9.299 6.515 1.00 0.00 O ATOM 349 CB ALA A 25 0.664 -6.927 5.463 1.00 0.00 C ATOM 0 H ALA A 25 1.155 -5.565 7.456 1.00 0.00 H new ATOM 0 HA ALA A 25 0.614 -8.364 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.637 -7.684 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.348 -6.575 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.282 -6.090 5.138 1.00 0.00 H new ATOM 355 N LEU A 26 3.605 -7.169 6.350 1.00 0.00 N ATOM 356 CA LEU A 26 4.991 -7.550 6.135 1.00 0.00 C ATOM 357 C LEU A 26 5.396 -8.595 7.176 1.00 0.00 C ATOM 358 O LEU A 26 5.628 -9.755 6.839 1.00 0.00 O ATOM 359 CB LEU A 26 5.891 -6.313 6.123 1.00 0.00 C ATOM 360 CG LEU A 26 7.335 -6.539 5.670 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.394 -6.905 4.186 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.208 -5.325 5.996 1.00 0.00 C ATOM 0 H LEU A 26 3.435 -6.163 6.355 1.00 0.00 H new ATOM 0 HA LEU A 26 5.111 -8.013 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.439 -5.566 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.908 -5.891 7.128 1.00 0.00 H new ATOM 0 HG LEU A 26 7.739 -7.385 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.432 -7.060 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.827 -7.820 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.965 -6.096 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.229 -5.512 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.815 -4.446 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.203 -5.151 7.072 1.00 0.00 H new ATOM 374 N GLU A 27 5.469 -8.147 8.420 1.00 0.00 N ATOM 375 CA GLU A 27 5.842 -9.029 9.513 1.00 0.00 C ATOM 376 C GLU A 27 5.109 -10.366 9.390 1.00 0.00 C ATOM 377 O GLU A 27 5.724 -11.427 9.489 1.00 0.00 O ATOM 378 CB GLU A 27 5.562 -8.373 10.867 1.00 0.00 C ATOM 379 CG GLU A 27 4.175 -7.728 10.888 1.00 0.00 C ATOM 380 CD GLU A 27 3.220 -8.511 11.791 1.00 0.00 C ATOM 381 OE1 GLU A 27 2.968 -9.691 11.464 1.00 0.00 O ATOM 382 OE2 GLU A 27 2.763 -7.912 12.789 1.00 0.00 O ATOM 0 H GLU A 27 5.276 -7.184 8.696 1.00 0.00 H new ATOM 0 HA GLU A 27 6.914 -9.217 9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.632 -9.120 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.321 -7.618 11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.254 -6.700 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.773 -7.688 9.876 1.00 0.00 H new ATOM 389 N ASP A 28 3.805 -10.272 9.174 1.00 0.00 N ATOM 390 CA ASP A 28 2.982 -11.461 9.036 1.00 0.00 C ATOM 391 C ASP A 28 3.525 -12.323 7.894 1.00 0.00 C ATOM 392 O ASP A 28 3.509 -13.550 7.976 1.00 0.00 O ATOM 393 CB ASP A 28 1.534 -11.094 8.703 1.00 0.00 C ATOM 394 CG ASP A 28 0.500 -11.533 9.741 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.921 -12.185 10.721 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.688 -11.206 9.532 1.00 0.00 O ATOM 0 H ASP A 28 3.298 -9.391 9.091 1.00 0.00 H new ATOM 0 HA ASP A 28 3.009 -12.000 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.468 -10.013 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.274 -11.539 7.743 1.00 0.00 H new ATOM 401 N CYS A 29 3.993 -11.646 6.856 1.00 0.00 N ATOM 402 CA CYS A 29 4.541 -12.334 5.700 1.00 0.00 C ATOM 403 C CYS A 29 5.929 -12.863 6.067 1.00 0.00 C ATOM 404 O CYS A 29 6.306 -13.962 5.664 1.00 0.00 O ATOM 405 CB CYS A 29 4.584 -11.427 4.469 1.00 0.00 C ATOM 406 SG CYS A 29 2.973 -11.473 3.600 1.00 0.00 S ATOM 0 H CYS A 29 4.004 -10.628 6.791 1.00 0.00 H new ATOM 0 HA CYS A 29 3.894 -13.170 5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.816 -10.405 4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.379 -11.750 3.797 1.00 0.00 H new ATOM 0 HG CYS A 29 3.020 -10.698 2.558 1.00 0.00 H new ATOM 412 N HIS A 30 6.652 -12.055 6.830 1.00 0.00 N ATOM 413 CA HIS A 30 7.990 -12.427 7.256 1.00 0.00 C ATOM 414 C HIS A 30 7.930 -13.731 8.054 1.00 0.00 C ATOM 415 O HIS A 30 8.929 -14.440 8.168 1.00 0.00 O ATOM 416 CB HIS A 30 8.649 -11.286 8.034 1.00 0.00 C ATOM 417 CG HIS A 30 9.463 -11.743 9.221 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.843 -11.653 9.263 1.00 0.00 N ATOM 419 CD2 HIS A 30 9.077 -12.291 10.409 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.259 -12.130 10.427 1.00 0.00 C ATOM 421 NE2 HIS A 30 10.163 -12.526 11.136 1.00 0.00 N ATOM 0 H HIS A 30 6.336 -11.144 7.164 1.00 0.00 H new ATOM 0 HA HIS A 30 8.618 -12.604 6.383 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.294 -10.724 7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.875 -10.601 8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.060 -12.499 10.708 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.285 -12.194 10.757 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.176 -12.935 12.070 1.00 0.00 H new ATOM 429 N GLY A 31 6.748 -14.009 8.585 1.00 0.00 N ATOM 430 CA GLY A 31 6.545 -15.216 9.368 1.00 0.00 C ATOM 431 C GLY A 31 5.571 -16.166 8.669 1.00 0.00 C ATOM 432 O GLY A 31 4.931 -16.993 9.317 1.00 0.00 O ATOM 0 H GLY A 31 5.921 -13.419 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.500 -15.718 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.159 -14.954 10.353 1.00 0.00 H new ATOM 436 N HIS A 32 5.489 -16.017 7.355 1.00 0.00 N ATOM 437 CA HIS A 32 4.604 -16.851 6.560 1.00 0.00 C ATOM 438 C HIS A 32 5.157 -16.979 5.139 1.00 0.00 C ATOM 439 O HIS A 32 5.535 -18.069 4.712 1.00 0.00 O ATOM 440 CB HIS A 32 3.173 -16.311 6.593 1.00 0.00 C ATOM 441 CG HIS A 32 2.373 -16.762 7.792 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.934 -18.064 7.953 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.940 -16.071 8.885 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.267 -18.142 9.095 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.271 -16.905 9.671 1.00 0.00 N ATOM 0 H HIS A 32 6.022 -15.330 6.821 1.00 0.00 H new ATOM 0 HA HIS A 32 4.562 -17.853 6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.206 -15.222 6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.656 -16.624 5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.112 -15.022 9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.802 -19.029 9.499 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.832 -16.662 10.559 1.00 0.00 H new ATOM 453 N THR A 33 5.188 -15.850 4.447 1.00 0.00 N ATOM 454 CA THR A 33 5.689 -15.822 3.083 1.00 0.00 C ATOM 455 C THR A 33 7.211 -15.969 3.071 1.00 0.00 C ATOM 456 O THR A 33 7.881 -15.607 4.037 1.00 0.00 O ATOM 457 CB THR A 33 5.198 -14.530 2.426 1.00 0.00 C ATOM 458 OG1 THR A 33 3.933 -14.882 1.872 1.00 0.00 O ATOM 459 CG2 THR A 33 6.040 -14.135 1.211 1.00 0.00 C ATOM 0 H THR A 33 4.874 -14.948 4.805 1.00 0.00 H new ATOM 0 HA THR A 33 5.308 -16.663 2.504 1.00 0.00 H new ATOM 0 HB THR A 33 5.214 -13.722 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.984 -14.851 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.650 -13.212 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.074 -13.983 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.997 -14.928 0.465 1.00 0.00 H new ATOM 467 N LYS A 34 7.714 -16.501 1.967 1.00 0.00 N ATOM 468 CA LYS A 34 9.145 -16.701 1.816 1.00 0.00 C ATOM 469 C LYS A 34 9.887 -15.491 2.388 1.00 0.00 C ATOM 470 O LYS A 34 9.311 -14.413 2.525 1.00 0.00 O ATOM 471 CB LYS A 34 9.493 -17.003 0.357 1.00 0.00 C ATOM 472 CG LYS A 34 8.666 -18.176 -0.173 1.00 0.00 C ATOM 473 CD LYS A 34 9.287 -18.755 -1.445 1.00 0.00 C ATOM 474 CE LYS A 34 10.603 -19.472 -1.136 1.00 0.00 C ATOM 475 NZ LYS A 34 10.397 -20.505 -0.095 1.00 0.00 N ATOM 0 H LYS A 34 7.155 -16.800 1.168 1.00 0.00 H new ATOM 0 HA LYS A 34 9.470 -17.573 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.311 -16.119 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.555 -17.235 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.600 -18.952 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.648 -17.844 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.590 -19.452 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.465 -17.955 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.994 -19.933 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.347 -18.750 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.147 -21.222 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.429 -20.062 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.471 -20.957 -0.233 1.00 0.00 H new ATOM 489 N LYS A 35 11.154 -15.711 2.706 1.00 0.00 N ATOM 490 CA LYS A 35 11.981 -14.652 3.260 1.00 0.00 C ATOM 491 C LYS A 35 12.394 -13.695 2.140 1.00 0.00 C ATOM 492 O LYS A 35 12.305 -12.478 2.294 1.00 0.00 O ATOM 493 CB LYS A 35 13.163 -15.243 4.031 1.00 0.00 C ATOM 494 CG LYS A 35 13.872 -14.168 4.856 1.00 0.00 C ATOM 495 CD LYS A 35 13.138 -13.915 6.175 1.00 0.00 C ATOM 496 CE LYS A 35 13.738 -12.719 6.916 1.00 0.00 C ATOM 497 NZ LYS A 35 13.327 -12.732 8.338 1.00 0.00 N ATOM 0 H LYS A 35 11.628 -16.607 2.591 1.00 0.00 H new ATOM 0 HA LYS A 35 11.416 -14.068 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.812 -16.038 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.868 -15.695 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.897 -14.478 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.927 -13.242 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.082 -13.733 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.196 -14.803 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.825 -12.748 6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.412 -11.791 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.084 -12.322 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.458 -12.172 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.150 -13.712 8.639 1.00 0.00 H new ATOM 511 N GLN A 36 12.838 -14.281 1.038 1.00 0.00 N ATOM 512 CA GLN A 36 13.265 -13.496 -0.108 1.00 0.00 C ATOM 513 C GLN A 36 12.125 -12.596 -0.589 1.00 0.00 C ATOM 514 O GLN A 36 12.354 -11.451 -0.976 1.00 0.00 O ATOM 515 CB GLN A 36 13.765 -14.399 -1.236 1.00 0.00 C ATOM 516 CG GLN A 36 12.634 -15.274 -1.781 1.00 0.00 C ATOM 517 CD GLN A 36 13.176 -16.342 -2.733 1.00 0.00 C ATOM 518 OE1 GLN A 36 13.353 -16.120 -3.919 1.00 0.00 O ATOM 519 NE2 GLN A 36 13.428 -17.510 -2.148 1.00 0.00 N ATOM 0 H GLN A 36 12.911 -15.291 0.914 1.00 0.00 H new ATOM 0 HA GLN A 36 14.097 -12.862 0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.177 -13.789 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.574 -15.031 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.109 -15.752 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.907 -14.652 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.257 -17.628 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.792 -18.288 -2.698 1.00 0.00 H new ATOM 528 N VAL A 37 10.921 -13.149 -0.550 1.00 0.00 N ATOM 529 CA VAL A 37 9.745 -12.411 -0.978 1.00 0.00 C ATOM 530 C VAL A 37 9.534 -11.213 -0.049 1.00 0.00 C ATOM 531 O VAL A 37 9.342 -10.090 -0.512 1.00 0.00 O ATOM 532 CB VAL A 37 8.534 -13.344 -1.035 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.275 -12.583 -1.454 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.797 -14.526 -1.970 1.00 0.00 C ATOM 0 H VAL A 37 10.735 -14.099 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 37 9.885 -12.020 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 37 8.368 -13.740 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.429 -13.269 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.072 -11.791 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.426 -12.146 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.921 -15.174 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.001 -14.157 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.657 -15.091 -1.609 1.00 0.00 H new ATOM 544 N CYS A 38 9.577 -11.494 1.245 1.00 0.00 N ATOM 545 CA CYS A 38 9.392 -10.454 2.243 1.00 0.00 C ATOM 546 C CYS A 38 10.458 -9.379 2.019 1.00 0.00 C ATOM 547 O CYS A 38 10.133 -8.211 1.814 1.00 0.00 O ATOM 548 CB CYS A 38 9.441 -11.019 3.664 1.00 0.00 C ATOM 549 SG CYS A 38 8.157 -10.224 4.698 1.00 0.00 S ATOM 0 H CYS A 38 9.737 -12.427 1.625 1.00 0.00 H new ATOM 0 HA CYS A 38 8.402 -10.012 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.285 -12.098 3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.426 -10.849 4.098 1.00 0.00 H new ATOM 0 HG CYS A 38 8.724 -9.448 5.573 1.00 0.00 H new ATOM 555 N ASP A 39 11.709 -9.813 2.067 1.00 0.00 N ATOM 556 CA ASP A 39 12.825 -8.903 1.872 1.00 0.00 C ATOM 557 C ASP A 39 12.540 -8.006 0.665 1.00 0.00 C ATOM 558 O ASP A 39 12.872 -6.821 0.676 1.00 0.00 O ATOM 559 CB ASP A 39 14.120 -9.669 1.596 1.00 0.00 C ATOM 560 CG ASP A 39 15.333 -9.200 2.402 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.798 -8.074 2.124 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.767 -9.978 3.279 1.00 0.00 O ATOM 0 H ASP A 39 11.974 -10.783 2.238 1.00 0.00 H new ATOM 0 HA ASP A 39 12.942 -8.314 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.951 -10.726 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.354 -9.587 0.535 1.00 0.00 H new ATOM 567 N ASP A 40 11.930 -8.605 -0.346 1.00 0.00 N ATOM 568 CA ASP A 40 11.598 -7.875 -1.558 1.00 0.00 C ATOM 569 C ASP A 40 10.504 -6.851 -1.248 1.00 0.00 C ATOM 570 O ASP A 40 10.674 -5.659 -1.499 1.00 0.00 O ATOM 571 CB ASP A 40 11.070 -8.817 -2.642 1.00 0.00 C ATOM 572 CG ASP A 40 11.091 -8.247 -4.061 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.213 -8.056 -4.579 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.985 -8.016 -4.596 1.00 0.00 O ATOM 0 H ASP A 40 11.657 -9.588 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 40 12.504 -7.386 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.661 -9.733 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.046 -9.095 -2.393 1.00 0.00 H new ATOM 579 N ILE A 41 9.404 -7.354 -0.706 1.00 0.00 N ATOM 580 CA ILE A 41 8.282 -6.498 -0.359 1.00 0.00 C ATOM 581 C ILE A 41 8.763 -5.392 0.583 1.00 0.00 C ATOM 582 O ILE A 41 8.622 -4.209 0.279 1.00 0.00 O ATOM 583 CB ILE A 41 7.129 -7.330 0.207 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.508 -8.214 -0.877 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.088 -6.435 0.882 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.486 -9.181 -0.276 1.00 0.00 C ATOM 0 H ILE A 41 9.266 -8.343 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 41 7.885 -6.009 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 41 7.530 -7.993 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.025 -7.589 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.291 -8.776 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.279 -7.051 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.556 -5.885 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.686 -5.731 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.060 -9.798 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.978 -9.820 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.692 -8.615 0.211 1.00 0.00 H new ATOM 598 N SER A 42 9.319 -5.817 1.708 1.00 0.00 N ATOM 599 CA SER A 42 9.821 -4.878 2.696 1.00 0.00 C ATOM 600 C SER A 42 10.649 -3.789 2.010 1.00 0.00 C ATOM 601 O SER A 42 10.432 -2.601 2.241 1.00 0.00 O ATOM 602 CB SER A 42 10.659 -5.591 3.759 1.00 0.00 C ATOM 603 OG SER A 42 11.492 -6.600 3.194 1.00 0.00 O ATOM 0 H SER A 42 9.433 -6.800 1.957 1.00 0.00 H new ATOM 0 HA SER A 42 8.968 -4.418 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.277 -4.862 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.998 -6.040 4.501 1.00 0.00 H new ATOM 0 HG SER A 42 10.936 -7.339 2.870 1.00 0.00 H new ATOM 609 N ARG A 43 11.582 -4.234 1.181 1.00 0.00 N ATOM 610 CA ARG A 43 12.443 -3.313 0.460 1.00 0.00 C ATOM 611 C ARG A 43 11.620 -2.163 -0.124 1.00 0.00 C ATOM 612 O ARG A 43 12.087 -1.026 -0.178 1.00 0.00 O ATOM 613 CB ARG A 43 13.187 -4.025 -0.672 1.00 0.00 C ATOM 614 CG ARG A 43 14.692 -4.067 -0.399 1.00 0.00 C ATOM 615 CD ARG A 43 15.480 -4.243 -1.698 1.00 0.00 C ATOM 616 NE ARG A 43 16.570 -5.224 -1.500 1.00 0.00 N ATOM 617 CZ ARG A 43 16.373 -6.534 -1.294 1.00 0.00 C ATOM 618 NH1 ARG A 43 15.128 -7.027 -1.259 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.422 -7.350 -1.125 1.00 0.00 N ATOM 0 H ARG A 43 11.760 -5.221 0.993 1.00 0.00 H new ATOM 0 HA ARG A 43 13.173 -2.919 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.805 -5.040 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.999 -3.511 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.001 -3.147 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.919 -4.887 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.815 -4.581 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.894 -3.286 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 43 17.531 -4.882 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.330 -6.406 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.978 -8.024 -1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.370 -6.974 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.273 -8.347 -0.968 1.00 0.00 H new ATOM 633 N ARG A 44 10.411 -2.499 -0.547 1.00 0.00 N ATOM 634 CA ARG A 44 9.518 -1.508 -1.125 1.00 0.00 C ATOM 635 C ARG A 44 9.020 -0.548 -0.044 1.00 0.00 C ATOM 636 O ARG A 44 9.157 0.668 -0.177 1.00 0.00 O ATOM 637 CB ARG A 44 8.317 -2.175 -1.798 1.00 0.00 C ATOM 638 CG ARG A 44 8.769 -3.269 -2.768 1.00 0.00 C ATOM 639 CD ARG A 44 9.554 -2.673 -3.938 1.00 0.00 C ATOM 640 NE ARG A 44 10.808 -3.433 -4.146 1.00 0.00 N ATOM 641 CZ ARG A 44 10.853 -4.722 -4.507 1.00 0.00 C ATOM 642 NH1 ARG A 44 9.717 -5.404 -4.703 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.036 -5.330 -4.672 1.00 0.00 N ATOM 0 H ARG A 44 10.028 -3.443 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 44 10.080 -0.954 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.663 -2.604 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.734 -1.426 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.389 -3.994 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.900 -3.808 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.949 -2.699 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.782 -1.626 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 44 11.692 -2.944 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.816 -4.942 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.752 -6.386 -4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.901 -4.811 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.071 -6.312 -4.947 1.00 0.00 H new ATOM 657 N LEU A 45 8.452 -1.128 1.003 1.00 0.00 N ATOM 658 CA LEU A 45 7.933 -0.339 2.107 1.00 0.00 C ATOM 659 C LEU A 45 8.962 0.724 2.496 1.00 0.00 C ATOM 660 O LEU A 45 8.638 1.909 2.569 1.00 0.00 O ATOM 661 CB LEU A 45 7.518 -1.247 3.266 1.00 0.00 C ATOM 662 CG LEU A 45 6.647 -2.450 2.898 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.057 -3.103 4.149 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.564 -2.056 1.891 1.00 0.00 C ATOM 0 H LEU A 45 8.340 -2.136 1.110 1.00 0.00 H new ATOM 0 HA LEU A 45 7.028 0.188 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.420 -1.613 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.980 -0.645 3.998 1.00 0.00 H new ATOM 0 HG LEU A 45 7.280 -3.194 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.442 -3.955 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.865 -3.442 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.443 -2.378 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.959 -2.929 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.928 -1.284 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.032 -1.674 0.984 1.00 0.00 H new ATOM 676 N ALA A 46 10.180 0.263 2.735 1.00 0.00 N ATOM 677 CA ALA A 46 11.259 1.160 3.115 1.00 0.00 C ATOM 678 C ALA A 46 11.222 2.402 2.223 1.00 0.00 C ATOM 679 O ALA A 46 11.538 3.503 2.671 1.00 0.00 O ATOM 680 CB ALA A 46 12.594 0.419 3.028 1.00 0.00 C ATOM 0 H ALA A 46 10.445 -0.720 2.673 1.00 0.00 H new ATOM 0 HA ALA A 46 11.137 1.491 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.403 1.092 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.580 -0.437 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.752 0.073 2.006 1.00 0.00 H new ATOM 686 N LEU A 47 10.833 2.183 0.975 1.00 0.00 N ATOM 687 CA LEU A 47 10.751 3.271 0.015 1.00 0.00 C ATOM 688 C LEU A 47 9.447 4.042 0.235 1.00 0.00 C ATOM 689 O LEU A 47 9.465 5.256 0.429 1.00 0.00 O ATOM 690 CB LEU A 47 10.920 2.743 -1.410 1.00 0.00 C ATOM 691 CG LEU A 47 11.355 3.768 -2.459 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.590 3.100 -3.815 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.348 4.917 -2.553 1.00 0.00 C ATOM 0 H LEU A 47 10.571 1.269 0.607 1.00 0.00 H new ATOM 0 HA LEU A 47 11.569 3.976 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.654 1.937 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.974 2.306 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 47 12.306 4.197 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.898 3.851 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.371 2.346 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.668 2.626 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.681 5.632 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.371 4.523 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.274 5.416 -1.587 1.00 0.00 H new ATOM 705 N LEU A 48 8.347 3.304 0.197 1.00 0.00 N ATOM 706 CA LEU A 48 7.037 3.903 0.389 1.00 0.00 C ATOM 707 C LEU A 48 7.112 4.929 1.521 1.00 0.00 C ATOM 708 O LEU A 48 6.842 6.111 1.311 1.00 0.00 O ATOM 709 CB LEU A 48 5.980 2.819 0.610 1.00 0.00 C ATOM 710 CG LEU A 48 4.662 3.285 1.233 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.084 4.475 0.465 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.665 2.129 1.333 1.00 0.00 C ATOM 0 H LEU A 48 8.336 2.297 0.036 1.00 0.00 H new ATOM 0 HA LEU A 48 6.727 4.439 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.760 2.352 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.408 2.047 1.249 1.00 0.00 H new ATOM 0 HG LEU A 48 4.865 3.625 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.148 4.787 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.793 5.302 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.898 4.185 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.737 2.487 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.461 1.737 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.085 1.339 1.955 1.00 0.00 H new ATOM 724 N ARG A 49 7.479 4.441 2.697 1.00 0.00 N ATOM 725 CA ARG A 49 7.592 5.301 3.862 1.00 0.00 C ATOM 726 C ARG A 49 8.479 6.508 3.547 1.00 0.00 C ATOM 727 O ARG A 49 8.023 7.649 3.605 1.00 0.00 O ATOM 728 CB ARG A 49 8.181 4.542 5.052 1.00 0.00 C ATOM 729 CG ARG A 49 8.571 5.502 6.177 1.00 0.00 C ATOM 730 CD ARG A 49 8.853 4.742 7.475 1.00 0.00 C ATOM 731 NE ARG A 49 9.208 5.693 8.552 1.00 0.00 N ATOM 732 CZ ARG A 49 10.443 6.171 8.756 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.449 5.791 7.957 1.00 0.00 N ATOM 734 NH2 ARG A 49 10.672 7.031 9.758 1.00 0.00 N ATOM 0 H ARG A 49 7.702 3.460 2.868 1.00 0.00 H new ATOM 0 HA ARG A 49 6.589 5.640 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.454 3.819 5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.057 3.978 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.454 6.070 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.769 6.222 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.976 4.163 7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.667 4.033 7.322 1.00 0.00 H new ATOM 0 HE ARG A 49 8.466 6.004 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.275 5.138 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.389 6.155 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.906 7.322 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.612 7.395 9.913 1.00 0.00 H new ATOM 748 N GLU A 50 9.729 6.214 3.220 1.00 0.00 N ATOM 749 CA GLU A 50 10.683 7.261 2.896 1.00 0.00 C ATOM 750 C GLU A 50 10.042 8.294 1.966 1.00 0.00 C ATOM 751 O GLU A 50 10.199 9.497 2.168 1.00 0.00 O ATOM 752 CB GLU A 50 11.950 6.673 2.272 1.00 0.00 C ATOM 753 CG GLU A 50 12.792 5.946 3.322 1.00 0.00 C ATOM 754 CD GLU A 50 13.914 5.140 2.664 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.563 5.706 1.758 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.097 3.976 3.081 1.00 0.00 O ATOM 0 H GLU A 50 10.103 5.266 3.173 1.00 0.00 H new ATOM 0 HA GLU A 50 10.971 7.762 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.679 5.981 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.539 7.469 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.219 6.670 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.156 5.281 3.906 1.00 0.00 H new ATOM 763 N GLN A 51 9.334 7.786 0.969 1.00 0.00 N ATOM 764 CA GLN A 51 8.669 8.649 0.008 1.00 0.00 C ATOM 765 C GLN A 51 7.492 9.370 0.668 1.00 0.00 C ATOM 766 O GLN A 51 7.236 10.539 0.382 1.00 0.00 O ATOM 767 CB GLN A 51 8.209 7.855 -1.217 1.00 0.00 C ATOM 768 CG GLN A 51 9.111 8.132 -2.420 1.00 0.00 C ATOM 769 CD GLN A 51 8.287 8.281 -3.701 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.447 9.156 -3.831 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.574 7.380 -4.636 1.00 0.00 N ATOM 0 H GLN A 51 9.206 6.787 0.806 1.00 0.00 H new ATOM 0 HA GLN A 51 9.384 9.398 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.219 6.789 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.180 8.120 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.686 9.041 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.827 7.319 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.289 6.674 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.079 7.395 -5.528 1.00 0.00 H new ATOM 780 N TRP A 52 6.806 8.643 1.537 1.00 0.00 N ATOM 781 CA TRP A 52 5.662 9.199 2.240 1.00 0.00 C ATOM 782 C TRP A 52 6.167 10.313 3.159 1.00 0.00 C ATOM 783 O TRP A 52 5.772 11.469 3.015 1.00 0.00 O ATOM 784 CB TRP A 52 4.896 8.107 2.989 1.00 0.00 C ATOM 785 CG TRP A 52 3.622 8.602 3.679 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.484 9.650 4.502 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.305 8.022 3.570 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.179 9.788 4.930 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.440 8.767 4.345 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.860 6.906 2.840 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.075 8.476 4.466 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.494 6.629 2.971 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.391 7.368 3.748 1.00 0.00 C ATOM 0 H TRP A 52 7.020 7.673 1.771 1.00 0.00 H new ATOM 0 HA TRP A 52 4.947 9.626 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.633 7.316 2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.554 7.664 3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.292 10.304 4.794 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.823 10.507 5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.520 6.310 2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.582 9.074 5.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.100 5.781 2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.433 7.089 3.797 1.00 0.00 H new ATOM 804 N ALA A 53 7.033 9.926 4.084 1.00 0.00 N ATOM 805 CA ALA A 53 7.597 10.878 5.027 1.00 0.00 C ATOM 806 C ALA A 53 8.391 11.937 4.261 1.00 0.00 C ATOM 807 O ALA A 53 8.140 13.133 4.408 1.00 0.00 O ATOM 808 CB ALA A 53 8.454 10.134 6.053 1.00 0.00 C ATOM 0 H ALA A 53 7.358 8.966 4.201 1.00 0.00 H new ATOM 0 HA ALA A 53 6.806 11.391 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.877 10.848 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.836 9.414 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.261 9.609 5.541 1.00 0.00 H new ATOM 814 N GLY A 54 9.334 11.461 3.461 1.00 0.00 N ATOM 815 CA GLY A 54 10.167 12.353 2.673 1.00 0.00 C ATOM 816 C GLY A 54 9.358 13.543 2.154 1.00 0.00 C ATOM 817 O GLY A 54 9.889 14.644 2.010 1.00 0.00 O ATOM 0 H GLY A 54 9.539 10.469 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.998 12.711 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.597 11.807 1.833 1.00 0.00 H new ATOM 821 N GLY A 55 8.087 13.283 1.887 1.00 0.00 N ATOM 822 CA GLY A 55 7.199 14.319 1.388 1.00 0.00 C ATOM 823 C GLY A 55 7.098 14.265 -0.138 1.00 0.00 C ATOM 824 O GLY A 55 6.662 15.227 -0.769 1.00 0.00 O ATOM 0 H GLY A 55 7.650 12.369 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.209 14.196 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.566 15.298 1.698 1.00 0.00 H new ATOM 828 N LYS A 56 7.506 13.130 -0.687 1.00 0.00 N ATOM 829 CA LYS A 56 7.467 12.938 -2.127 1.00 0.00 C ATOM 830 C LYS A 56 6.068 12.472 -2.536 1.00 0.00 C ATOM 831 O LYS A 56 5.634 12.715 -3.661 1.00 0.00 O ATOM 832 CB LYS A 56 8.585 11.993 -2.572 1.00 0.00 C ATOM 833 CG LYS A 56 9.889 12.759 -2.807 1.00 0.00 C ATOM 834 CD LYS A 56 10.177 12.906 -4.302 1.00 0.00 C ATOM 835 CE LYS A 56 11.570 13.493 -4.537 1.00 0.00 C ATOM 836 NZ LYS A 56 12.274 12.746 -5.603 1.00 0.00 N ATOM 0 H LYS A 56 7.865 12.334 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 56 7.654 13.880 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.741 11.226 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.290 11.480 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.824 13.745 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.714 12.236 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.102 11.933 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.425 13.550 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.486 14.543 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.148 13.453 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.218 13.157 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.371 11.749 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.729 12.806 -6.487 1.00 0.00 H new ATOM 850 N LEU A 57 5.402 11.812 -1.601 1.00 0.00 N ATOM 851 CA LEU A 57 4.061 11.310 -1.851 1.00 0.00 C ATOM 852 C LEU A 57 3.073 12.478 -1.839 1.00 0.00 C ATOM 853 O LEU A 57 3.231 13.421 -1.065 1.00 0.00 O ATOM 854 CB LEU A 57 3.712 10.199 -0.859 1.00 0.00 C ATOM 855 CG LEU A 57 4.495 8.893 -1.011 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.005 7.841 -0.014 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.440 8.386 -2.453 1.00 0.00 C ATOM 0 H LEU A 57 5.765 11.613 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 57 4.003 10.854 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.869 10.578 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.649 9.975 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 57 5.541 9.093 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.578 6.923 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.139 8.212 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.949 7.637 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.004 7.457 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.403 8.207 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.874 9.133 -3.118 1.00 0.00 H new ATOM 869 N SER A 58 2.076 12.377 -2.705 1.00 0.00 N ATOM 870 CA SER A 58 1.063 13.414 -2.804 1.00 0.00 C ATOM 871 C SER A 58 0.033 13.247 -1.685 1.00 0.00 C ATOM 872 O SER A 58 -0.062 12.181 -1.078 1.00 0.00 O ATOM 873 CB SER A 58 0.373 13.381 -4.169 1.00 0.00 C ATOM 874 OG SER A 58 0.000 14.684 -4.610 1.00 0.00 O ATOM 0 H SER A 58 1.948 11.593 -3.345 1.00 0.00 H new ATOM 0 HA SER A 58 1.553 14.382 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.040 12.927 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.514 12.750 -4.112 1.00 0.00 H new ATOM 0 HG SER A 58 -0.436 14.621 -5.485 1.00 0.00 H new ATOM 880 N ILE A 59 -0.712 14.316 -1.446 1.00 0.00 N ATOM 881 CA ILE A 59 -1.732 14.301 -0.411 1.00 0.00 C ATOM 882 C ILE A 59 -2.857 13.350 -0.822 1.00 0.00 C ATOM 883 O ILE A 59 -3.329 12.554 -0.011 1.00 0.00 O ATOM 884 CB ILE A 59 -2.209 15.723 -0.108 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.063 16.584 0.428 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.408 15.709 0.842 1.00 0.00 C ATOM 887 CD1 ILE A 59 -0.951 17.896 -0.352 1.00 0.00 C ATOM 0 H ILE A 59 -0.630 15.198 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.320 13.922 0.524 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.543 16.177 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.227 16.798 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.125 16.033 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.727 16.732 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.228 15.156 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.124 15.229 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.129 18.489 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.763 17.679 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.882 18.456 -0.258 1.00 0.00 H new ATOM 899 N PRO A 60 -3.264 13.466 -2.114 1.00 0.00 N ATOM 900 CA PRO A 60 -4.325 12.625 -2.643 1.00 0.00 C ATOM 901 C PRO A 60 -3.823 11.201 -2.892 1.00 0.00 C ATOM 902 O PRO A 60 -4.602 10.318 -3.247 1.00 0.00 O ATOM 903 CB PRO A 60 -4.784 13.324 -3.912 1.00 0.00 C ATOM 904 CG PRO A 60 -3.661 14.273 -4.296 1.00 0.00 C ATOM 905 CD PRO A 60 -2.727 14.396 -3.103 1.00 0.00 C ATOM 0 HA PRO A 60 -5.155 12.506 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.975 12.603 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.714 13.867 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.122 13.895 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.062 15.249 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.703 14.138 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.708 15.416 -2.718 1.00 0.00 H new ATOM 913 N VAL A 61 -2.525 11.023 -2.697 1.00 0.00 N ATOM 914 CA VAL A 61 -1.910 9.721 -2.896 1.00 0.00 C ATOM 915 C VAL A 61 -1.954 8.935 -1.584 1.00 0.00 C ATOM 916 O VAL A 61 -1.832 7.711 -1.585 1.00 0.00 O ATOM 917 CB VAL A 61 -0.492 9.891 -3.445 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.376 8.678 -3.105 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.515 10.143 -4.954 1.00 0.00 C ATOM 0 H VAL A 61 -1.882 11.758 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.464 9.146 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.050 10.765 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.379 8.824 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.432 8.562 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.063 7.782 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.505 10.260 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.985 9.298 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.082 11.051 -5.163 1.00 0.00 H new ATOM 929 N LYS A 62 -2.128 9.671 -0.496 1.00 0.00 N ATOM 930 CA LYS A 62 -2.189 9.058 0.820 1.00 0.00 C ATOM 931 C LYS A 62 -3.649 8.780 1.181 1.00 0.00 C ATOM 932 O LYS A 62 -3.981 7.690 1.643 1.00 0.00 O ATOM 933 CB LYS A 62 -1.455 9.922 1.847 1.00 0.00 C ATOM 934 CG LYS A 62 -0.570 10.963 1.158 1.00 0.00 C ATOM 935 CD LYS A 62 0.419 11.583 2.146 1.00 0.00 C ATOM 936 CE LYS A 62 1.637 12.153 1.418 1.00 0.00 C ATOM 937 NZ LYS A 62 2.445 12.989 2.334 1.00 0.00 N ATOM 0 H LYS A 62 -2.229 10.686 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.673 8.098 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.179 10.423 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.844 9.288 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.025 10.496 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.193 11.745 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.074 12.374 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.740 10.830 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.247 11.339 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.312 12.748 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.268 13.368 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.865 13.776 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.771 12.411 3.135 1.00 0.00 H new ATOM 951 N LYS A 63 -4.483 9.785 0.956 1.00 0.00 N ATOM 952 CA LYS A 63 -5.900 9.662 1.252 1.00 0.00 C ATOM 953 C LYS A 63 -6.463 8.436 0.529 1.00 0.00 C ATOM 954 O LYS A 63 -7.391 7.795 1.018 1.00 0.00 O ATOM 955 CB LYS A 63 -6.632 10.963 0.917 1.00 0.00 C ATOM 956 CG LYS A 63 -7.041 11.705 2.191 1.00 0.00 C ATOM 957 CD LYS A 63 -7.082 13.216 1.956 1.00 0.00 C ATOM 958 CE LYS A 63 -5.739 13.726 1.430 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.888 14.257 0.057 1.00 0.00 N ATOM 0 H LYS A 63 -4.204 10.688 0.572 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.054 9.502 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.989 11.601 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.517 10.743 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.021 11.358 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.337 11.477 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.871 13.455 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.329 13.726 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.356 14.506 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.008 12.917 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.035 14.035 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.717 13.822 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.016 15.288 0.096 1.00 0.00 H new ATOM 973 N ARG A 64 -5.878 8.148 -0.624 1.00 0.00 N ATOM 974 CA ARG A 64 -6.309 7.011 -1.419 1.00 0.00 C ATOM 975 C ARG A 64 -5.777 5.710 -0.816 1.00 0.00 C ATOM 976 O ARG A 64 -6.519 4.739 -0.672 1.00 0.00 O ATOM 977 CB ARG A 64 -5.822 7.133 -2.864 1.00 0.00 C ATOM 978 CG ARG A 64 -7.000 7.163 -3.840 1.00 0.00 C ATOM 979 CD ARG A 64 -7.174 8.557 -4.447 1.00 0.00 C ATOM 980 NE ARG A 64 -8.590 8.978 -4.350 1.00 0.00 N ATOM 981 CZ ARG A 64 -9.585 8.437 -5.067 1.00 0.00 C ATOM 982 NH1 ARG A 64 -9.326 7.451 -5.936 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.839 8.883 -4.913 1.00 0.00 N ATOM 0 H ARG A 64 -5.109 8.683 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.399 6.998 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.229 8.041 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.168 6.294 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.837 6.434 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.914 6.871 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.537 9.272 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.859 8.550 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.823 9.726 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.371 7.111 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.084 7.040 -6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.036 9.633 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.597 8.472 -5.458 1.00 0.00 H new ATOM 997 N MET A 65 -4.495 5.731 -0.481 1.00 0.00 N ATOM 998 CA MET A 65 -3.855 4.564 0.102 1.00 0.00 C ATOM 999 C MET A 65 -4.631 4.066 1.323 1.00 0.00 C ATOM 1000 O MET A 65 -5.071 2.918 1.357 1.00 0.00 O ATOM 1001 CB MET A 65 -2.426 4.920 0.516 1.00 0.00 C ATOM 1002 CG MET A 65 -1.422 4.493 -0.556 1.00 0.00 C ATOM 1003 SD MET A 65 -1.512 2.729 -0.810 1.00 0.00 S ATOM 1004 CE MET A 65 -0.937 2.157 0.780 1.00 0.00 C ATOM 0 H MET A 65 -3.883 6.538 -0.602 1.00 0.00 H new ATOM 0 HA MET A 65 -3.840 3.770 -0.644 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.349 5.994 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.185 4.432 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.631 5.014 -1.490 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.413 4.774 -0.253 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.761 1.082 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.008 2.667 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.690 2.372 1.538 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.777 4.954 2.295 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.492 4.619 3.515 1.00 0.00 C ATOM 1016 C ALA A 66 -6.710 3.762 3.166 1.00 0.00 C ATOM 1017 O ALA A 66 -7.108 2.896 3.945 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.875 5.904 4.251 1.00 0.00 C ATOM 0 H ALA A 66 -4.412 5.906 2.263 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.859 4.037 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.411 5.653 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.973 6.463 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.514 6.513 3.611 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.269 4.032 1.996 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.434 3.295 1.535 1.00 0.00 C ATOM 1026 C LEU A 67 -8.051 1.831 1.311 1.00 0.00 C ATOM 1027 O LEU A 67 -8.597 0.937 1.956 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.040 3.968 0.302 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.146 5.494 0.354 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.024 6.022 -0.782 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.639 5.963 1.724 1.00 0.00 C ATOM 0 H LEU A 67 -6.937 4.751 1.353 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.217 3.307 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.442 3.695 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.038 3.560 0.143 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.149 5.910 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.083 7.109 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.591 5.735 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.025 5.599 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.705 7.051 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.623 5.538 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.941 5.635 2.494 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.115 1.631 0.394 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.653 0.291 0.077 1.00 0.00 C ATOM 1045 C LEU A 68 -6.341 -0.457 1.375 1.00 0.00 C ATOM 1046 O LEU A 68 -6.714 -1.618 1.531 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.475 0.348 -0.898 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.620 -0.918 -0.992 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.974 -1.042 -2.373 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.584 -0.964 0.133 1.00 0.00 C ATOM 0 H LEU A 68 -6.665 2.375 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.435 -0.271 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.862 0.576 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.830 1.178 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.272 -1.782 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.372 -1.950 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.751 -1.088 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.337 -0.176 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.990 -1.873 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.930 -0.095 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.093 -0.957 1.097 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.659 0.240 2.273 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.293 -0.344 3.552 1.00 0.00 C ATOM 1064 C VAL A 69 -6.561 -0.773 4.293 1.00 0.00 C ATOM 1065 O VAL A 69 -6.756 -1.958 4.562 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.438 0.642 4.351 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.286 0.184 5.803 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.072 0.841 3.693 1.00 0.00 C ATOM 0 H VAL A 69 -5.351 1.203 2.140 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.685 -1.237 3.405 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.951 1.604 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.674 0.902 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.269 0.117 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.806 -0.794 5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.484 1.546 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.549 -0.114 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.207 1.233 2.685 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.390 0.213 4.603 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.633 -0.049 5.308 1.00 0.00 C ATOM 1080 C GLN A 70 -9.268 -1.345 4.802 1.00 0.00 C ATOM 1081 O GLN A 70 -9.798 -2.129 5.588 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.601 1.128 5.166 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.198 2.283 6.084 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.513 1.958 7.546 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.142 0.963 7.866 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -9.041 2.850 8.412 1.00 0.00 N ATOM 0 H GLN A 70 -7.225 1.194 4.379 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.409 -0.168 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.615 1.469 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.613 0.803 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.132 2.485 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.726 3.189 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.522 3.661 8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.198 2.723 9.412 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.193 -1.532 3.492 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.754 -2.720 2.872 1.00 0.00 C ATOM 1097 C GLU A 71 -8.975 -3.963 3.307 1.00 0.00 C ATOM 1098 O GLU A 71 -9.562 -4.930 3.790 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.769 -2.588 1.348 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.462 -1.294 0.916 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.979 -1.480 0.851 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.479 -2.338 1.611 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.605 -0.761 0.043 1.00 0.00 O ATOM 0 H GLU A 71 -8.752 -0.880 2.843 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.787 -2.827 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.747 -2.602 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.283 -3.444 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.220 -0.496 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.088 -0.985 -0.060 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.665 -3.898 3.120 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.800 -5.006 3.487 1.00 0.00 C ATOM 1112 C LEU A 72 -7.098 -5.424 4.928 1.00 0.00 C ATOM 1113 O LEU A 72 -6.932 -6.588 5.288 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.334 -4.646 3.241 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.364 -5.823 3.126 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.308 -5.562 2.050 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.733 -6.148 4.481 1.00 0.00 C ATOM 0 H LEU A 72 -7.181 -3.095 2.719 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.001 -5.872 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.273 -4.060 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.998 -4.002 4.053 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.930 -6.701 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.632 -6.415 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.798 -5.418 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.741 -4.667 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.048 -6.988 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.186 -5.279 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.516 -6.409 5.194 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.532 -4.450 5.715 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.853 -4.702 7.110 1.00 0.00 C ATOM 1131 C LEU A 73 -9.105 -5.578 7.189 1.00 0.00 C ATOM 1132 O LEU A 73 -9.130 -6.566 7.922 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.975 -3.384 7.878 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.683 -2.582 8.044 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.969 -1.195 8.621 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.663 -3.354 8.884 1.00 0.00 C ATOM 0 H LEU A 73 -7.669 -3.485 5.413 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.046 -5.253 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.706 -2.756 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.375 -3.600 8.869 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.243 -2.435 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.034 -0.646 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.634 -0.651 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.444 -1.298 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.754 -2.762 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.080 -3.553 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.427 -4.298 8.393 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.113 -5.185 6.425 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.365 -5.923 6.401 1.00 0.00 C ATOM 1150 C HIS A 74 -11.196 -7.192 5.563 1.00 0.00 C ATOM 1151 O HIS A 74 -12.127 -7.987 5.440 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.509 -5.034 5.908 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.412 -4.529 7.008 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.787 -4.453 6.873 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -13.122 -4.076 8.261 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -15.292 -3.974 8.001 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -14.258 -3.741 8.860 1.00 0.00 N ATOM 0 H HIS A 74 -10.089 -4.366 5.818 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.631 -6.230 7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.089 -4.180 5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.107 -5.594 5.189 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.135 -4.002 8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -16.338 -3.799 8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -14.344 -3.370 9.806 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.003 -7.341 5.007 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.700 -8.500 4.184 1.00 0.00 C ATOM 1167 C HIS A 75 -10.111 -8.223 2.737 1.00 0.00 C ATOM 1168 O HIS A 75 -9.875 -9.045 1.853 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.356 -9.758 4.756 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.340 -9.828 6.265 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.419 -10.277 7.006 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.366 -9.502 7.162 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.098 -10.219 8.290 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.825 -9.738 8.384 1.00 0.00 N ATOM 0 H HIS A 75 -9.234 -6.678 5.110 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.626 -8.685 4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.389 -9.805 4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.846 -10.635 4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.387 -9.117 6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.732 -10.503 9.117 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.311 -9.585 9.251 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.718 -7.062 2.540 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.164 -6.666 1.215 1.00 0.00 C ATOM 1184 C GLN A 76 -9.963 -6.477 0.285 1.00 0.00 C ATOM 1185 O GLN A 76 -9.553 -5.348 0.017 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.013 -5.395 1.279 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.388 -5.684 1.884 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.391 -6.084 0.801 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.082 -6.139 -0.378 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.607 -6.359 1.264 1.00 0.00 N ATOM 0 H GLN A 76 -10.911 -6.383 3.276 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.790 -7.462 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.500 -4.641 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.132 -4.982 0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.304 -6.483 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.750 -4.801 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.799 -6.293 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.348 -6.636 0.619 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.434 -7.598 -0.181 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.288 -7.570 -1.075 1.00 0.00 C ATOM 1201 C TRP A 77 -8.767 -7.076 -2.441 1.00 0.00 C ATOM 1202 O TRP A 77 -8.031 -6.393 -3.151 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.609 -8.939 -1.138 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.875 -9.824 0.081 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.791 -10.793 0.213 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.177 -9.780 1.344 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.735 -11.375 1.463 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.722 -10.740 2.172 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.120 -8.958 1.771 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.276 -10.967 3.480 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.685 -9.197 3.080 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.224 -10.159 3.927 1.00 0.00 C ATOM 0 H TRP A 77 -9.777 -8.532 0.043 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.526 -6.884 -0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.948 -9.460 -2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.534 -8.795 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.486 -11.082 -0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.328 -12.132 1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.678 -8.202 1.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.720 -11.724 4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.874 -8.592 3.458 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.832 -10.282 4.926 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.998 -7.441 -2.769 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.583 -7.043 -4.038 1.00 0.00 C ATOM 1225 C ASP A 78 -10.622 -5.516 -4.121 1.00 0.00 C ATOM 1226 O ASP A 78 -10.442 -4.944 -5.195 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.017 -7.560 -4.169 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.299 -8.373 -5.434 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.726 -8.007 -6.483 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.080 -9.343 -5.323 1.00 0.00 O ATOM 0 H ASP A 78 -10.606 -8.008 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.973 -7.464 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.245 -8.177 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.698 -6.709 -4.143 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.856 -4.899 -2.972 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.920 -3.449 -2.901 1.00 0.00 C ATOM 1237 C ALA A 79 -9.501 -2.878 -2.934 1.00 0.00 C ATOM 1238 O ALA A 79 -9.211 -1.973 -3.715 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.687 -3.032 -1.644 1.00 0.00 C ATOM 0 H ALA A 79 -11.004 -5.377 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.458 -3.046 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.735 -1.944 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.698 -3.438 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.175 -3.416 -0.761 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.655 -3.430 -2.077 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.273 -2.987 -1.999 1.00 0.00 C ATOM 1247 C ALA A 80 -6.734 -2.759 -3.412 1.00 0.00 C ATOM 1248 O ALA A 80 -6.230 -1.681 -3.722 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.451 -4.015 -1.220 1.00 0.00 C ATOM 0 H ALA A 80 -8.900 -4.180 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.203 -2.040 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.414 -3.683 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.857 -4.118 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.495 -4.978 -1.729 1.00 0.00 H new ATOM 1255 N ASP A 81 -6.859 -3.792 -4.233 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.391 -3.718 -5.606 1.00 0.00 C ATOM 1257 C ASP A 81 -7.118 -2.582 -6.328 1.00 0.00 C ATOM 1258 O ASP A 81 -6.482 -1.700 -6.904 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.681 -5.019 -6.358 1.00 0.00 C ATOM 1260 CG ASP A 81 -5.965 -5.162 -7.702 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.698 -4.108 -8.319 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.699 -6.323 -8.083 1.00 0.00 O ATOM 0 H ASP A 81 -7.278 -4.685 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.315 -3.545 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.400 -5.859 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.755 -5.092 -6.526 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.441 -2.640 -6.273 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.261 -1.627 -6.914 1.00 0.00 C ATOM 1269 C ASP A 82 -8.632 -0.250 -6.691 1.00 0.00 C ATOM 1270 O ASP A 82 -8.212 0.406 -7.643 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.671 -1.604 -6.322 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.738 -0.965 -7.214 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.623 -1.136 -8.447 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.644 -0.321 -6.643 1.00 0.00 O ATOM 0 H ASP A 82 -8.965 -3.373 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.320 -1.864 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.971 -2.628 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.642 -1.066 -5.374 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.586 0.146 -5.428 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.015 1.433 -5.067 1.00 0.00 C ATOM 1281 C ILE A 83 -6.611 1.548 -5.663 1.00 0.00 C ATOM 1282 O ILE A 83 -6.316 2.497 -6.387 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.058 1.632 -3.551 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.493 1.549 -3.027 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.376 2.941 -3.150 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.534 0.903 -1.640 1.00 0.00 C ATOM 0 H ILE A 83 -8.935 -0.402 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.608 2.245 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.498 0.821 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.925 2.549 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.104 0.970 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.421 3.058 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.334 2.921 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.886 3.778 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.565 0.856 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.124 -0.105 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.942 1.497 -0.944 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.782 0.567 -5.337 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.416 0.546 -5.831 1.00 0.00 C ATOM 1300 C HIS A 84 -4.395 0.976 -7.299 1.00 0.00 C ATOM 1301 O HIS A 84 -3.703 1.926 -7.662 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.778 -0.826 -5.606 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.804 -1.235 -6.686 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -1.911 -0.498 -7.407 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -2.681 -2.541 -7.129 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.276 -1.309 -8.243 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -1.752 -2.576 -8.073 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.030 -0.219 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.812 1.259 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.260 -0.822 -4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.567 -1.576 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.246 -3.387 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.508 -1.014 -8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.446 -3.405 -8.583 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.162 0.256 -8.105 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.240 0.551 -9.526 1.00 0.00 C ATOM 1317 C ARG A 85 -5.481 2.046 -9.744 1.00 0.00 C ATOM 1318 O ARG A 85 -4.683 2.719 -10.394 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.364 -0.243 -10.192 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.929 -1.683 -10.469 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.062 -1.762 -11.727 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.377 -3.072 -11.789 1.00 0.00 N ATOM 1323 CZ ARG A 85 -3.644 -3.489 -12.831 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -3.497 -2.701 -13.904 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -3.059 -4.694 -12.799 1.00 0.00 N ATOM 0 H ARG A 85 -5.735 -0.531 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.291 0.263 -9.978 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.244 -0.243 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.651 0.240 -11.126 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.373 -2.069 -9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.809 -2.316 -10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.680 -1.624 -12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.326 -0.958 -11.723 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.468 -3.697 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.943 -1.784 -13.928 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.939 -3.018 -14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.171 -5.294 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.501 -5.011 -13.592 1.00 0.00 H new ATOM 1339 N SER A 86 -6.586 2.522 -9.190 1.00 0.00 N ATOM 1340 CA SER A 86 -6.943 3.925 -9.316 1.00 0.00 C ATOM 1341 C SER A 86 -5.733 4.804 -8.994 1.00 0.00 C ATOM 1342 O SER A 86 -5.543 5.853 -9.607 1.00 0.00 O ATOM 1343 CB SER A 86 -8.116 4.280 -8.399 1.00 0.00 C ATOM 1344 OG SER A 86 -9.365 3.864 -8.945 1.00 0.00 O ATOM 0 H SER A 86 -7.247 1.961 -8.652 1.00 0.00 H new ATOM 0 HA SER A 86 -7.253 4.107 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.971 3.810 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.134 5.357 -8.233 1.00 0.00 H new ATOM 0 HG SER A 86 -10.088 4.107 -8.330 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.945 4.342 -8.034 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.759 5.073 -7.623 1.00 0.00 C ATOM 1352 C LEU A 87 -2.688 4.951 -8.710 1.00 0.00 C ATOM 1353 O LEU A 87 -1.902 5.874 -8.918 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.291 4.605 -6.244 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.802 5.416 -5.051 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.144 4.952 -3.751 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.612 6.916 -5.287 1.00 0.00 C ATOM 0 H LEU A 87 -5.105 3.470 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.985 6.134 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.598 3.568 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.201 4.620 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.873 5.239 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.525 5.544 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.374 3.900 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.064 5.080 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.983 7.470 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.553 7.131 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.165 7.217 -6.177 1.00 0.00 H new ATOM 1369 N MET A 88 -2.693 3.804 -9.373 1.00 0.00 N ATOM 1370 CA MET A 88 -1.732 3.549 -10.433 1.00 0.00 C ATOM 1371 C MET A 88 -2.173 4.206 -11.743 1.00 0.00 C ATOM 1372 O MET A 88 -1.416 4.236 -12.712 1.00 0.00 O ATOM 1373 CB MET A 88 -1.590 2.040 -10.641 1.00 0.00 C ATOM 1374 CG MET A 88 -0.935 1.732 -11.989 1.00 0.00 C ATOM 1375 SD MET A 88 -0.092 0.160 -11.913 1.00 0.00 S ATOM 1376 CE MET A 88 1.446 0.669 -11.164 1.00 0.00 C ATOM 0 H MET A 88 -3.347 3.041 -9.197 1.00 0.00 H new ATOM 0 HA MET A 88 -0.773 3.976 -10.139 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.992 1.613 -9.836 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.572 1.569 -10.593 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.691 1.711 -12.774 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.229 2.521 -12.248 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.896 -0.178 -10.646 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.127 1.025 -11.937 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.255 1.471 -10.451 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.395 4.716 -11.729 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.946 5.371 -12.904 1.00 0.00 C ATOM 1388 C VAL A 89 -3.318 6.758 -13.051 1.00 0.00 C ATOM 1389 O VAL A 89 -2.718 7.066 -14.080 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.473 5.413 -12.812 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.060 6.348 -13.871 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.068 4.008 -12.930 1.00 0.00 C ATOM 0 H VAL A 89 -4.020 4.689 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.703 4.807 -13.805 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.739 5.808 -11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.146 6.360 -13.784 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.673 7.356 -13.721 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.779 5.995 -14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.154 4.066 -12.861 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.788 3.574 -13.890 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.686 3.382 -12.123 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.478 7.559 -12.007 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.933 8.906 -12.007 1.00 0.00 C ATOM 1404 C ASP A 90 -1.517 8.879 -11.430 1.00 0.00 C ATOM 1405 O ASP A 90 -0.580 9.380 -12.050 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.779 9.842 -11.142 1.00 0.00 C ATOM 1407 CG ASP A 90 -3.316 11.300 -11.122 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -2.321 11.588 -11.821 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -3.967 12.093 -10.408 1.00 0.00 O ATOM 0 H ASP A 90 -3.977 7.301 -11.156 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.931 9.269 -13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.809 9.809 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.782 9.464 -10.120 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.405 8.290 -10.249 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.118 8.191 -9.581 1.00 0.00 C ATOM 1416 C HIS A 91 0.477 6.802 -9.815 1.00 0.00 C ATOM 1417 O HIS A 91 0.490 5.967 -8.912 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.249 8.537 -8.096 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.268 9.613 -7.803 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -0.916 10.918 -7.507 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.630 9.563 -7.766 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.024 11.614 -7.301 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.086 10.772 -7.462 1.00 0.00 N ATOM 0 H HIS A 91 -2.184 7.876 -9.737 1.00 0.00 H new ATOM 0 HA HIS A 91 0.573 8.920 -10.005 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.519 7.636 -7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.723 8.859 -7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.235 8.688 -7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.078 12.663 -7.050 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.068 11.029 -7.365 1.00 0.00 H new ATOM 1431 N VAL A 92 0.955 6.596 -11.034 1.00 0.00 N ATOM 1432 CA VAL A 92 1.550 5.321 -11.399 1.00 0.00 C ATOM 1433 C VAL A 92 3.004 5.287 -10.923 1.00 0.00 C ATOM 1434 O VAL A 92 3.408 4.367 -10.215 1.00 0.00 O ATOM 1435 CB VAL A 92 1.408 5.090 -12.904 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.329 6.024 -13.692 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.676 3.626 -13.262 1.00 0.00 C ATOM 0 H VAL A 92 0.942 7.290 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 92 1.028 4.500 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 92 0.380 5.320 -13.182 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.208 5.839 -14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.071 7.060 -13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.365 5.839 -13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.568 3.489 -14.338 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.689 3.357 -12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.962 2.988 -12.742 1.00 0.00 H new ATOM 1447 N THR A 93 3.751 6.302 -11.332 1.00 0.00 N ATOM 1448 CA THR A 93 5.151 6.400 -10.957 1.00 0.00 C ATOM 1449 C THR A 93 5.287 6.559 -9.441 1.00 0.00 C ATOM 1450 O THR A 93 5.991 5.786 -8.794 1.00 0.00 O ATOM 1451 CB THR A 93 5.773 7.554 -11.747 1.00 0.00 C ATOM 1452 OG1 THR A 93 6.397 6.917 -12.858 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.930 8.219 -10.999 1.00 0.00 C ATOM 0 H THR A 93 3.413 7.064 -11.920 1.00 0.00 H new ATOM 0 HA THR A 93 5.692 5.487 -11.207 1.00 0.00 H new ATOM 0 HB THR A 93 5.008 8.299 -11.966 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.824 7.593 -13.425 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.335 9.031 -11.603 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.569 8.618 -10.051 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.711 7.483 -10.809 1.00 0.00 H new ATOM 1461 N GLU A 94 4.602 7.566 -8.920 1.00 0.00 N ATOM 1462 CA GLU A 94 4.637 7.835 -7.493 1.00 0.00 C ATOM 1463 C GLU A 94 4.544 6.528 -6.703 1.00 0.00 C ATOM 1464 O GLU A 94 5.352 6.281 -5.809 1.00 0.00 O ATOM 1465 CB GLU A 94 3.520 8.800 -7.089 1.00 0.00 C ATOM 1466 CG GLU A 94 3.999 10.252 -7.155 1.00 0.00 C ATOM 1467 CD GLU A 94 4.995 10.552 -6.032 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.196 10.287 -6.253 1.00 0.00 O ATOM 1469 OE2 GLU A 94 4.531 11.039 -4.978 1.00 0.00 O ATOM 0 H GLU A 94 4.020 8.205 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 94 5.588 8.312 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.663 8.666 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.184 8.570 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.467 10.441 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.145 10.925 -7.078 1.00 0.00 H new ATOM 1476 N VAL A 95 3.553 5.726 -7.062 1.00 0.00 N ATOM 1477 CA VAL A 95 3.344 4.451 -6.398 1.00 0.00 C ATOM 1478 C VAL A 95 4.422 3.463 -6.850 1.00 0.00 C ATOM 1479 O VAL A 95 4.840 2.600 -6.080 1.00 0.00 O ATOM 1480 CB VAL A 95 1.924 3.948 -6.664 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.893 5.041 -6.374 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.785 3.430 -8.097 1.00 0.00 C ATOM 0 H VAL A 95 2.886 5.935 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 95 3.437 4.564 -5.318 1.00 0.00 H new ATOM 0 HB VAL A 95 1.731 3.116 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.108 4.658 -6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.967 5.343 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.085 5.902 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.766 3.078 -8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.007 4.235 -8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.482 2.607 -8.256 1.00 0.00 H new ATOM 1492 N SER A 96 4.840 3.623 -8.097 1.00 0.00 N ATOM 1493 CA SER A 96 5.861 2.756 -8.661 1.00 0.00 C ATOM 1494 C SER A 96 7.125 2.809 -7.800 1.00 0.00 C ATOM 1495 O SER A 96 7.314 3.744 -7.024 1.00 0.00 O ATOM 1496 CB SER A 96 6.184 3.152 -10.103 1.00 0.00 C ATOM 1497 OG SER A 96 7.111 4.232 -10.166 1.00 0.00 O ATOM 0 H SER A 96 4.490 4.340 -8.733 1.00 0.00 H new ATOM 0 HA SER A 96 5.477 1.736 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.594 2.292 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.264 3.433 -10.616 1.00 0.00 H new ATOM 0 HG SER A 96 6.930 4.861 -9.437 1.00 0.00 H new ATOM 1503 N GLN A 97 7.958 1.792 -7.967 1.00 0.00 N ATOM 1504 CA GLN A 97 9.199 1.710 -7.215 1.00 0.00 C ATOM 1505 C GLN A 97 8.954 1.052 -5.856 1.00 0.00 C ATOM 1506 O GLN A 97 9.881 0.893 -5.063 1.00 0.00 O ATOM 1507 CB GLN A 97 9.832 3.093 -7.049 1.00 0.00 C ATOM 1508 CG GLN A 97 11.351 3.025 -7.217 1.00 0.00 C ATOM 1509 CD GLN A 97 11.968 4.425 -7.191 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.323 4.957 -6.152 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.077 4.990 -8.391 1.00 0.00 N ATOM 0 H GLN A 97 7.798 1.018 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 97 9.900 1.091 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.412 3.780 -7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.589 3.492 -6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.782 2.419 -6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.595 2.534 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.760 4.489 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.478 5.924 -8.481 1.00 0.00 H new ATOM 1520 N TRP A 98 7.701 0.688 -5.628 1.00 0.00 N ATOM 1521 CA TRP A 98 7.322 0.051 -4.378 1.00 0.00 C ATOM 1522 C TRP A 98 5.939 -0.577 -4.568 1.00 0.00 C ATOM 1523 O TRP A 98 5.707 -1.711 -4.152 1.00 0.00 O ATOM 1524 CB TRP A 98 7.372 1.047 -3.218 1.00 0.00 C ATOM 1525 CG TRP A 98 6.454 2.258 -3.397 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.741 3.432 -3.975 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.080 2.366 -2.969 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.657 4.286 -3.951 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.615 3.616 -3.320 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.258 1.437 -2.307 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.312 4.053 -3.050 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.959 1.888 -2.045 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.475 3.145 -2.392 1.00 0.00 C ATOM 0 H TRP A 98 6.935 0.822 -6.288 1.00 0.00 H new ATOM 0 HA TRP A 98 8.029 -0.736 -4.116 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.100 0.531 -2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.397 1.396 -3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.700 3.679 -4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.626 5.234 -4.327 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.602 0.453 -2.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.972 5.038 -3.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.286 1.213 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.458 3.419 -2.155 1.00 0.00 H new ATOM 1544 N MET A 99 5.058 0.188 -5.195 1.00 0.00 N ATOM 1545 CA MET A 99 3.705 -0.279 -5.445 1.00 0.00 C ATOM 1546 C MET A 99 3.694 -1.772 -5.780 1.00 0.00 C ATOM 1547 O MET A 99 2.739 -2.477 -5.457 1.00 0.00 O ATOM 1548 CB MET A 99 3.099 0.509 -6.607 1.00 0.00 C ATOM 1549 CG MET A 99 1.797 -0.135 -7.087 1.00 0.00 C ATOM 1550 SD MET A 99 0.722 -0.449 -5.697 1.00 0.00 S ATOM 1551 CE MET A 99 0.036 1.182 -5.461 1.00 0.00 C ATOM 0 H MET A 99 5.255 1.128 -5.538 1.00 0.00 H new ATOM 0 HA MET A 99 3.114 -0.123 -4.542 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.907 1.535 -6.294 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.811 0.555 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.299 0.521 -7.801 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.013 -1.068 -7.608 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.016 1.098 -5.188 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.578 1.693 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.127 1.752 -6.385 1.00 0.00 H new ATOM 1561 N VAL A 100 4.766 -2.210 -6.423 1.00 0.00 N ATOM 1562 CA VAL A 100 4.891 -3.607 -6.805 1.00 0.00 C ATOM 1563 C VAL A 100 4.721 -4.487 -5.565 1.00 0.00 C ATOM 1564 O VAL A 100 3.919 -5.420 -5.568 1.00 0.00 O ATOM 1565 CB VAL A 100 6.223 -3.835 -7.523 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.321 -2.974 -8.783 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.403 -3.572 -6.585 1.00 0.00 C ATOM 0 H VAL A 100 5.556 -1.623 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 100 4.106 -3.883 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 100 6.265 -4.880 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.277 -3.155 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.509 -3.231 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.247 -1.921 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.338 -3.741 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.367 -2.540 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.346 -4.247 -5.731 1.00 0.00 H new ATOM 1577 N GLY A 101 5.489 -4.160 -4.537 1.00 0.00 N ATOM 1578 CA GLY A 101 5.434 -4.910 -3.293 1.00 0.00 C ATOM 1579 C GLY A 101 3.999 -4.999 -2.770 1.00 0.00 C ATOM 1580 O GLY A 101 3.470 -6.093 -2.580 1.00 0.00 O ATOM 0 H GLY A 101 6.153 -3.386 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.830 -5.913 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.068 -4.431 -2.547 1.00 0.00 H new ATOM 1584 N VAL A 102 3.409 -3.833 -2.553 1.00 0.00 N ATOM 1585 CA VAL A 102 2.045 -3.765 -2.056 1.00 0.00 C ATOM 1586 C VAL A 102 1.178 -4.769 -2.818 1.00 0.00 C ATOM 1587 O VAL A 102 0.536 -5.626 -2.213 1.00 0.00 O ATOM 1588 CB VAL A 102 1.523 -2.330 -2.152 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.062 -2.247 -1.707 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.399 -1.372 -1.342 1.00 0.00 C ATOM 0 H VAL A 102 3.850 -2.927 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 102 2.009 -4.039 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 102 1.572 -2.025 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.284 -1.216 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.550 -2.884 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.023 -2.581 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.006 -0.359 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.397 -1.675 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.419 -1.399 -1.726 1.00 0.00 H new ATOM 1600 N LYS A 103 1.187 -4.629 -4.136 1.00 0.00 N ATOM 1601 CA LYS A 103 0.410 -5.513 -4.988 1.00 0.00 C ATOM 1602 C LYS A 103 0.581 -6.956 -4.508 1.00 0.00 C ATOM 1603 O LYS A 103 -0.400 -7.682 -4.351 1.00 0.00 O ATOM 1604 CB LYS A 103 0.782 -5.305 -6.457 1.00 0.00 C ATOM 1605 CG LYS A 103 0.261 -6.455 -7.322 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.193 -5.947 -8.692 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.196 -7.078 -9.723 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.172 -7.315 -10.236 1.00 0.00 N ATOM 0 H LYS A 103 1.720 -3.916 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.652 -5.276 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.367 -4.362 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.865 -5.233 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.043 -7.203 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.571 -6.946 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.193 -5.520 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.469 -5.148 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.584 -7.990 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.861 -6.824 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.152 -8.085 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.529 -6.448 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.798 -7.578 -9.448 1.00 0.00 H new ATOM 1622 N ARG A 104 1.833 -7.329 -4.290 1.00 0.00 N ATOM 1623 CA ARG A 104 2.144 -8.673 -3.831 1.00 0.00 C ATOM 1624 C ARG A 104 1.572 -8.902 -2.431 1.00 0.00 C ATOM 1625 O ARG A 104 0.812 -9.844 -2.214 1.00 0.00 O ATOM 1626 CB ARG A 104 3.656 -8.908 -3.802 1.00 0.00 C ATOM 1627 CG ARG A 104 3.976 -10.394 -3.630 1.00 0.00 C ATOM 1628 CD ARG A 104 3.622 -11.181 -4.894 1.00 0.00 C ATOM 1629 NE ARG A 104 4.839 -11.413 -5.703 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.856 -12.097 -6.855 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.722 -12.620 -7.341 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.007 -12.258 -7.522 1.00 0.00 N ATOM 0 H ARG A 104 2.644 -6.725 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 104 1.691 -9.376 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.103 -8.541 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.101 -8.340 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.035 -10.518 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.421 -10.793 -2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.168 -12.134 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.885 -10.632 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 104 5.720 -11.028 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.846 -12.497 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.735 -13.141 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.870 -11.860 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.020 -12.779 -8.399 1.00 0.00 H new ATOM 1646 N LEU A 105 1.960 -8.024 -1.517 1.00 0.00 N ATOM 1647 CA LEU A 105 1.495 -8.119 -0.144 1.00 0.00 C ATOM 1648 C LEU A 105 -0.002 -8.432 -0.137 1.00 0.00 C ATOM 1649 O LEU A 105 -0.430 -9.427 0.446 1.00 0.00 O ATOM 1650 CB LEU A 105 1.862 -6.854 0.635 1.00 0.00 C ATOM 1651 CG LEU A 105 1.731 -6.941 2.157 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.093 -6.780 2.835 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.708 -5.930 2.677 1.00 0.00 C ATOM 0 H LEU A 105 2.591 -7.244 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 105 1.995 -8.939 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.891 -6.588 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.231 -6.038 0.282 1.00 0.00 H new ATOM 0 HG LEU A 105 1.361 -7.934 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.971 -6.846 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.764 -7.570 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.516 -5.809 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.634 -6.012 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.025 -4.922 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.265 -6.134 2.230 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.759 -7.564 -0.793 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.200 -7.736 -0.870 1.00 0.00 C ATOM 1667 C ILE A 106 -2.519 -9.198 -1.186 1.00 0.00 C ATOM 1668 O ILE A 106 -3.178 -9.877 -0.400 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.805 -6.745 -1.867 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.523 -5.302 -1.445 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.300 -7.005 -2.059 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.432 -4.382 -2.664 1.00 0.00 C ATOM 0 H ILE A 106 -0.401 -6.740 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.663 -7.509 0.091 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.325 -6.897 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.313 -4.953 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.590 -5.260 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.705 -6.287 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.448 -8.016 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.814 -6.897 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.231 -3.362 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.626 -4.719 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.375 -4.408 -3.211 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.036 -9.641 -2.338 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.261 -11.010 -2.767 1.00 0.00 C ATOM 1686 C ALA A 107 -1.814 -11.967 -1.660 1.00 0.00 C ATOM 1687 O ALA A 107 -2.558 -12.868 -1.275 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.526 -11.260 -4.085 1.00 0.00 C ATOM 0 H ALA A 107 -1.490 -9.075 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.322 -11.186 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.695 -12.288 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.900 -10.575 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.458 -11.095 -3.943 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.601 -11.740 -1.179 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.046 -12.570 -0.124 1.00 0.00 C ATOM 1696 C GLU A 108 -1.006 -12.630 1.065 1.00 0.00 C ATOM 1697 O GLU A 108 -1.449 -13.708 1.458 1.00 0.00 O ATOM 1698 CB GLU A 108 1.331 -12.061 0.308 1.00 0.00 C ATOM 1699 CG GLU A 108 2.413 -12.502 -0.680 1.00 0.00 C ATOM 1700 CD GLU A 108 2.404 -14.022 -0.861 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.178 -14.713 0.156 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.624 -14.458 -2.012 1.00 0.00 O ATOM 0 H GLU A 108 0.014 -10.992 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 108 0.082 -13.580 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.316 -10.973 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.566 -12.438 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.251 -12.017 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.391 -12.181 -0.321 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.301 -11.456 1.606 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.200 -11.361 2.743 1.00 0.00 C ATOM 1711 C LYS A 109 -3.449 -12.203 2.472 1.00 0.00 C ATOM 1712 O LYS A 109 -3.840 -13.025 3.300 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.504 -9.897 3.065 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.284 -9.205 3.675 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.091 -9.619 5.135 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.174 -9.007 6.026 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.586 -9.968 7.074 1.00 0.00 N ATOM 0 H LYS A 109 -0.933 -10.563 1.277 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.728 -11.769 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.805 -9.376 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.343 -9.840 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.393 -9.458 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.406 -8.124 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.120 -10.706 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.108 -9.300 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.800 -8.094 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.036 -8.728 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.401 -9.586 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.851 -10.871 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.796 -10.123 7.733 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.040 -11.969 1.310 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.236 -12.696 0.919 1.00 0.00 C ATOM 1733 C LYS A 110 -4.982 -14.199 1.055 1.00 0.00 C ATOM 1734 O LYS A 110 -5.848 -14.939 1.518 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.687 -12.273 -0.481 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.902 -13.085 -0.934 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.260 -12.770 -2.388 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.613 -13.377 -2.763 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.426 -14.635 -3.520 1.00 0.00 N ATOM 0 H LYS A 110 -3.713 -11.286 0.626 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.065 -12.451 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.934 -11.211 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.869 -12.411 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.692 -14.149 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.753 -12.863 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.289 -11.690 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.486 -13.160 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.193 -13.572 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.183 -12.667 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.355 -15.033 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.891 -14.440 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.901 -15.317 -2.936 1.00 0.00 H new ATOM 1753 N SER A 111 -3.790 -14.605 0.641 1.00 0.00 N ATOM 1754 CA SER A 111 -3.411 -16.006 0.711 1.00 0.00 C ATOM 1755 C SER A 111 -3.476 -16.494 2.160 1.00 0.00 C ATOM 1756 O SER A 111 -4.112 -17.507 2.449 1.00 0.00 O ATOM 1757 CB SER A 111 -2.010 -16.226 0.139 1.00 0.00 C ATOM 1758 OG SER A 111 -2.011 -17.173 -0.926 1.00 0.00 O ATOM 0 H SER A 111 -3.075 -13.988 0.256 1.00 0.00 H new ATOM 0 HA SER A 111 -4.114 -16.581 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.612 -15.277 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.345 -16.571 0.931 1.00 0.00 H new ATOM 0 HG SER A 111 -1.098 -17.284 -1.265 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.810 -15.751 3.031 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.784 -16.095 4.443 1.00 0.00 C ATOM 1766 C LEU A 112 -4.184 -16.530 4.883 1.00 0.00 C ATOM 1767 O LEU A 112 -4.354 -17.612 5.442 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.212 -14.940 5.266 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.714 -14.675 5.099 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.329 -13.315 5.685 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.114 -15.813 5.700 1.00 0.00 C ATOM 0 H LEU A 112 -2.284 -14.912 2.787 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.117 -16.940 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.753 -14.031 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.411 -15.137 6.319 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.490 -14.641 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.741 -13.152 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.882 -12.528 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.571 -13.295 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.175 -15.600 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.109 -15.903 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.134 -16.748 5.197 1.00 0.00 H new ATOM 1783 N SER A 113 -5.150 -15.664 4.614 1.00 0.00 N ATOM 1784 CA SER A 113 -6.529 -15.945 4.975 1.00 0.00 C ATOM 1785 C SER A 113 -7.022 -17.188 4.231 1.00 0.00 C ATOM 1786 O SER A 113 -7.542 -18.117 4.846 1.00 0.00 O ATOM 1787 CB SER A 113 -7.433 -14.749 4.669 1.00 0.00 C ATOM 1788 OG SER A 113 -7.976 -14.173 5.853 1.00 0.00 O ATOM 0 H SER A 113 -5.005 -14.767 4.150 1.00 0.00 H new ATOM 0 HA SER A 113 -6.571 -16.132 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.864 -13.994 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.245 -15.067 4.015 1.00 0.00 H new ATOM 0 HG SER A 113 -8.546 -13.412 5.615 1.00 0.00 H new ATOM 1794 N GLY A 114 -6.841 -17.164 2.919 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.261 -18.277 2.085 1.00 0.00 C ATOM 1796 C GLY A 114 -8.787 -18.368 2.020 1.00 0.00 C ATOM 1797 O GLY A 114 -9.394 -19.174 2.723 1.00 0.00 O ATOM 0 H GLY A 114 -6.409 -16.391 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.857 -18.156 1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.854 -19.207 2.482 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.377 -17.508 1.147 1.00 0.00 N ATOM 1802 CA PRO A 115 -10.820 -17.483 0.981 1.00 0.00 C ATOM 1803 C PRO A 115 -11.299 -18.689 0.170 1.00 0.00 C ATOM 1804 O PRO A 115 -11.671 -18.551 -0.994 1.00 0.00 O ATOM 1805 CB PRO A 115 -11.116 -16.156 0.303 1.00 0.00 C ATOM 1806 CG PRO A 115 -9.800 -15.696 -0.304 1.00 0.00 C ATOM 1807 CD PRO A 115 -8.689 -16.539 0.299 1.00 0.00 C ATOM 0 HA PRO A 115 -11.354 -17.558 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -11.881 -16.272 -0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.492 -15.426 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -9.819 -15.809 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -9.633 -14.639 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.104 -17.035 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -7.997 -15.927 0.878 1.00 0.00 H new ATOM 1815 N SER A 116 -11.274 -19.845 0.818 1.00 0.00 N ATOM 1816 CA SER A 116 -11.701 -21.074 0.172 1.00 0.00 C ATOM 1817 C SER A 116 -13.227 -21.104 0.059 1.00 0.00 C ATOM 1818 O SER A 116 -13.926 -21.198 1.067 1.00 0.00 O ATOM 1819 CB SER A 116 -11.202 -22.301 0.937 1.00 0.00 C ATOM 1820 OG SER A 116 -10.314 -23.094 0.154 1.00 0.00 O ATOM 0 H SER A 116 -10.965 -19.956 1.784 1.00 0.00 H new ATOM 0 HA SER A 116 -11.268 -21.102 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.694 -21.979 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.054 -22.907 1.245 1.00 0.00 H new ATOM 0 HG SER A 116 -10.017 -23.867 0.678 1.00 0.00 H new ATOM 1826 N SER A 117 -13.699 -21.021 -1.176 1.00 0.00 N ATOM 1827 CA SER A 117 -15.129 -21.037 -1.433 1.00 0.00 C ATOM 1828 C SER A 117 -15.522 -22.346 -2.122 1.00 0.00 C ATOM 1829 O SER A 117 -15.210 -22.553 -3.294 1.00 0.00 O ATOM 1830 CB SER A 117 -15.548 -19.840 -2.289 1.00 0.00 C ATOM 1831 OG SER A 117 -16.880 -19.420 -2.004 1.00 0.00 O ATOM 0 H SER A 117 -13.117 -20.942 -2.010 1.00 0.00 H new ATOM 0 HA SER A 117 -15.649 -20.966 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.861 -19.012 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.469 -20.103 -3.344 1.00 0.00 H new ATOM 0 HG SER A 117 -17.109 -18.653 -2.569 1.00 0.00 H new ATOM 1837 N GLY A 118 -16.201 -23.195 -1.365 1.00 0.00 N ATOM 1838 CA GLY A 118 -16.640 -24.477 -1.888 1.00 0.00 C ATOM 1839 C GLY A 118 -16.177 -25.624 -0.987 1.00 0.00 C ATOM 1840 O GLY A 118 -16.930 -26.092 -0.135 1.00 0.00 O ATOM 0 H GLY A 118 -16.458 -23.020 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.727 -24.488 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.245 -24.618 -2.894 1.00 0.00 H new TER 1844 GLY A 118