USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -48:sc= 0.189 USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 0.108 (180deg=-0.0146) USER MOD Single : A 97 ASN : amide:sc= -1.96 K(o=-2,f=-6.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -85:sc= -1.15 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 109 MET CE :methyl 173:sc= -1.02 (180deg=-1.3) USER MOD Single : A 110 THR OG1 : rot 21:sc= 0.837 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 115 LYS NZ :NH3+ -115:sc= -0.182 (180deg=-2.33!) USER MOD Single : A 117 THR OG1 : rot -121:sc= -2.07! USER MOD Single : A 124 MET CE :methyl -151:sc= -0.301 (180deg=-1.01) USER MOD Single : A 135 GLN : amide:sc= -4.43 K(o=-4.4,f=-5.5) USER MOD Single : A 137 ASN : amide:sc= -5.64! C(o=-5.6!,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD Single : A 144 MET CE :methyl -171:sc= 0 (180deg=-0.00974) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -47:sc= 0.179 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -25.734 -17.270 0.740 1.00 0.00 N ATOM 2 CA MET A 76 -26.022 -15.832 1.006 1.00 0.00 C ATOM 3 C MET A 76 -24.744 -15.014 0.821 1.00 0.00 C ATOM 4 O MET A 76 -23.734 -15.514 0.367 1.00 0.00 O ATOM 5 CB MET A 76 -26.528 -15.670 2.440 1.00 0.00 C ATOM 6 CG MET A 76 -25.412 -16.043 3.416 1.00 0.00 C ATOM 7 SD MET A 76 -26.022 -15.916 5.115 1.00 0.00 S ATOM 8 CE MET A 76 -24.596 -15.040 5.802 1.00 0.00 C ATOM 0 HA MET A 76 -26.783 -15.479 0.310 1.00 0.00 H new ATOM 0 HB2 MET A 76 -26.847 -14.642 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 76 -27.398 -16.306 2.605 1.00 0.00 H new ATOM 0 HG2 MET A 76 -25.066 -17.058 3.218 1.00 0.00 H new ATOM 0 HG3 MET A 76 -24.557 -15.382 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 76 -24.760 -14.854 6.863 1.00 0.00 H new ATOM 0 HE2 MET A 76 -23.700 -15.647 5.675 1.00 0.00 H new ATOM 0 HE3 MET A 76 -24.468 -14.090 5.283 1.00 0.00 H new ATOM 20 N LYS A 77 -24.778 -13.757 1.169 1.00 0.00 N ATOM 21 CA LYS A 77 -23.565 -12.908 1.011 1.00 0.00 C ATOM 22 C LYS A 77 -22.353 -13.623 1.609 1.00 0.00 C ATOM 23 O LYS A 77 -22.356 -14.018 2.759 1.00 0.00 O ATOM 24 CB LYS A 77 -23.775 -11.577 1.735 1.00 0.00 C ATOM 25 CG LYS A 77 -24.278 -11.841 3.155 1.00 0.00 C ATOM 26 CD LYS A 77 -25.242 -10.726 3.567 1.00 0.00 C ATOM 27 CE LYS A 77 -25.013 -10.366 5.034 1.00 0.00 C ATOM 28 NZ LYS A 77 -24.286 -9.068 5.118 1.00 0.00 N ATOM 0 H LYS A 77 -25.593 -13.282 1.556 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.391 -12.725 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.840 -11.017 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -24.494 -10.965 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -24.781 -12.807 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.438 -11.885 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -25.089 -9.849 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -26.272 -11.049 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.967 -10.295 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.438 -11.150 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.129 -8.822 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.369 -9.152 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.851 -8.323 4.662 1.00 0.00 H new ATOM 42 N ASP A 78 -21.315 -13.790 0.838 1.00 0.00 N ATOM 43 CA ASP A 78 -20.101 -14.474 1.362 1.00 0.00 C ATOM 44 C ASP A 78 -19.013 -13.436 1.635 1.00 0.00 C ATOM 45 O ASP A 78 -18.437 -13.390 2.704 1.00 0.00 O ATOM 46 CB ASP A 78 -19.592 -15.479 0.326 1.00 0.00 C ATOM 47 CG ASP A 78 -18.682 -16.500 1.011 1.00 0.00 C ATOM 48 OD1 ASP A 78 -18.195 -16.201 2.089 1.00 0.00 O ATOM 49 OD2 ASP A 78 -18.485 -17.562 0.444 1.00 0.00 O ATOM 0 H ASP A 78 -21.255 -13.482 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.350 -14.997 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -20.432 -15.986 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.046 -14.960 -0.462 1.00 0.00 H new ATOM 54 N THR A 79 -18.726 -12.600 0.675 1.00 0.00 N ATOM 55 CA THR A 79 -17.675 -11.566 0.880 1.00 0.00 C ATOM 56 C THR A 79 -18.198 -10.204 0.416 1.00 0.00 C ATOM 57 O THR A 79 -19.274 -10.097 -0.140 1.00 0.00 O ATOM 58 CB THR A 79 -16.429 -11.941 0.075 1.00 0.00 C ATOM 59 OG1 THR A 79 -16.743 -13.011 -0.806 1.00 0.00 O ATOM 60 CG2 THR A 79 -15.317 -12.375 1.030 1.00 0.00 C ATOM 0 H THR A 79 -19.174 -12.589 -0.241 1.00 0.00 H new ATOM 0 HA THR A 79 -17.420 -11.511 1.938 1.00 0.00 H new ATOM 0 HB THR A 79 -16.094 -11.080 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.947 -13.252 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.429 -12.642 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.079 -11.555 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.649 -13.238 1.607 1.00 0.00 H new ATOM 68 N ASP A 80 -17.448 -9.160 0.644 1.00 0.00 N ATOM 69 CA ASP A 80 -17.906 -7.807 0.221 1.00 0.00 C ATOM 70 C ASP A 80 -16.816 -7.130 -0.615 1.00 0.00 C ATOM 71 O ASP A 80 -17.027 -6.781 -1.760 1.00 0.00 O ATOM 72 CB ASP A 80 -18.197 -6.961 1.464 1.00 0.00 C ATOM 73 CG ASP A 80 -19.671 -6.553 1.470 1.00 0.00 C ATOM 74 OD1 ASP A 80 -20.047 -5.755 0.628 1.00 0.00 O ATOM 75 OD2 ASP A 80 -20.398 -7.044 2.318 1.00 0.00 O ATOM 0 H ASP A 80 -16.538 -9.186 1.105 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.811 -7.901 -0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.962 -7.527 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.563 -6.074 1.470 1.00 0.00 H new ATOM 80 N SER A 81 -15.654 -6.937 -0.053 1.00 0.00 N ATOM 81 CA SER A 81 -14.557 -6.279 -0.818 1.00 0.00 C ATOM 82 C SER A 81 -14.991 -4.871 -1.222 1.00 0.00 C ATOM 83 O SER A 81 -14.409 -4.253 -2.092 1.00 0.00 O ATOM 84 CB SER A 81 -14.249 -7.092 -2.073 1.00 0.00 C ATOM 85 OG SER A 81 -12.977 -6.708 -2.578 1.00 0.00 O ATOM 0 H SER A 81 -15.417 -7.206 0.902 1.00 0.00 H new ATOM 0 HA SER A 81 -13.665 -6.222 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.255 -8.157 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.018 -6.925 -2.827 1.00 0.00 H new ATOM 0 HG SER A 81 -12.926 -5.731 -2.627 1.00 0.00 H new ATOM 91 N GLU A 82 -16.012 -4.358 -0.594 1.00 0.00 N ATOM 92 CA GLU A 82 -16.486 -2.989 -0.938 1.00 0.00 C ATOM 93 C GLU A 82 -15.594 -1.958 -0.255 1.00 0.00 C ATOM 94 O GLU A 82 -14.608 -1.506 -0.804 1.00 0.00 O ATOM 95 CB GLU A 82 -17.930 -2.814 -0.463 1.00 0.00 C ATOM 96 CG GLU A 82 -18.879 -2.935 -1.658 1.00 0.00 C ATOM 97 CD GLU A 82 -20.316 -2.680 -1.201 1.00 0.00 C ATOM 98 OE1 GLU A 82 -20.961 -3.627 -0.781 1.00 0.00 O ATOM 99 OE2 GLU A 82 -20.748 -1.541 -1.278 1.00 0.00 O ATOM 0 H GLU A 82 -16.539 -4.828 0.143 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.442 -2.848 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -18.172 -3.569 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.052 -1.842 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.600 -2.218 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.798 -3.928 -2.100 1.00 0.00 H new ATOM 106 N GLU A 83 -15.937 -1.583 0.938 1.00 0.00 N ATOM 107 CA GLU A 83 -15.125 -0.580 1.675 1.00 0.00 C ATOM 108 C GLU A 83 -13.908 -1.266 2.303 1.00 0.00 C ATOM 109 O GLU A 83 -13.085 -0.633 2.934 1.00 0.00 O ATOM 110 CB GLU A 83 -15.979 0.057 2.771 1.00 0.00 C ATOM 111 CG GLU A 83 -17.050 0.941 2.128 1.00 0.00 C ATOM 112 CD GLU A 83 -18.231 0.072 1.694 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.663 -0.747 2.489 1.00 0.00 O ATOM 114 OE2 GLU A 83 -18.685 0.238 0.573 1.00 0.00 O ATOM 0 H GLU A 83 -16.753 -1.930 1.442 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.785 0.192 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.447 -0.717 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.353 0.651 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.383 1.700 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.635 1.467 1.268 1.00 0.00 H new ATOM 121 N GLU A 84 -13.782 -2.555 2.132 1.00 0.00 N ATOM 122 CA GLU A 84 -12.615 -3.272 2.716 1.00 0.00 C ATOM 123 C GLU A 84 -11.324 -2.663 2.166 1.00 0.00 C ATOM 124 O GLU A 84 -10.290 -2.696 2.801 1.00 0.00 O ATOM 125 CB GLU A 84 -12.682 -4.755 2.341 1.00 0.00 C ATOM 126 CG GLU A 84 -13.053 -5.577 3.577 1.00 0.00 C ATOM 127 CD GLU A 84 -14.009 -6.702 3.174 1.00 0.00 C ATOM 128 OE1 GLU A 84 -13.622 -7.515 2.350 1.00 0.00 O ATOM 129 OE2 GLU A 84 -15.110 -6.732 3.696 1.00 0.00 O ATOM 0 H GLU A 84 -14.437 -3.141 1.614 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.633 -3.175 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.420 -4.909 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.721 -5.085 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.155 -5.994 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.522 -4.937 4.325 1.00 0.00 H new ATOM 136 N ILE A 85 -11.381 -2.102 0.991 1.00 0.00 N ATOM 137 CA ILE A 85 -10.166 -1.485 0.395 1.00 0.00 C ATOM 138 C ILE A 85 -9.898 -0.144 1.073 1.00 0.00 C ATOM 139 O ILE A 85 -8.769 0.213 1.342 1.00 0.00 O ATOM 140 CB ILE A 85 -10.397 -1.254 -1.101 1.00 0.00 C ATOM 141 CG1 ILE A 85 -11.074 -2.479 -1.724 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.060 -0.996 -1.795 1.00 0.00 C ATOM 143 CD1 ILE A 85 -10.443 -3.754 -1.171 1.00 0.00 C ATOM 0 H ILE A 85 -12.221 -2.045 0.416 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.312 -2.147 0.537 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.045 -0.387 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -12.142 -2.466 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.970 -2.451 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.228 -0.832 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.590 -0.113 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.407 -1.858 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.928 -4.623 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.380 -3.768 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.570 -3.783 -0.089 1.00 0.00 H new ATOM 155 N ARG A 86 -10.928 0.602 1.346 1.00 0.00 N ATOM 156 CA ARG A 86 -10.739 1.921 2.003 1.00 0.00 C ATOM 157 C ARG A 86 -9.917 1.744 3.282 1.00 0.00 C ATOM 158 O ARG A 86 -9.018 2.512 3.562 1.00 0.00 O ATOM 159 CB ARG A 86 -12.104 2.516 2.349 1.00 0.00 C ATOM 160 CG ARG A 86 -12.152 3.978 1.903 1.00 0.00 C ATOM 161 CD ARG A 86 -13.016 4.779 2.877 1.00 0.00 C ATOM 162 NE ARG A 86 -12.765 6.236 2.687 1.00 0.00 N ATOM 163 CZ ARG A 86 -13.410 7.105 3.414 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.624 6.846 3.817 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.841 8.233 3.742 1.00 0.00 N ATOM 0 H ARG A 86 -11.896 0.354 1.142 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.211 2.592 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.895 1.949 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.281 2.446 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.144 4.392 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.560 4.049 0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.070 4.557 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.787 4.491 3.903 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.091 6.552 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.068 5.964 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.129 7.526 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.891 8.435 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.346 8.913 4.311 1.00 0.00 H new ATOM 179 N GLU A 87 -10.215 0.740 4.063 1.00 0.00 N ATOM 180 CA GLU A 87 -9.442 0.531 5.320 1.00 0.00 C ATOM 181 C GLU A 87 -8.104 -0.132 4.995 1.00 0.00 C ATOM 182 O GLU A 87 -7.083 0.231 5.536 1.00 0.00 O ATOM 183 CB GLU A 87 -10.239 -0.352 6.284 1.00 0.00 C ATOM 184 CG GLU A 87 -10.508 -1.713 5.639 1.00 0.00 C ATOM 185 CD GLU A 87 -11.815 -2.287 6.191 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.494 -1.573 6.913 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.113 -3.428 5.884 1.00 0.00 O ATOM 0 H GLU A 87 -10.955 0.060 3.886 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.260 1.496 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.685 -0.483 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.182 0.132 6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.573 -1.608 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.683 -2.395 5.845 1.00 0.00 H new ATOM 194 N ALA A 88 -8.094 -1.093 4.110 1.00 0.00 N ATOM 195 CA ALA A 88 -6.811 -1.759 3.756 1.00 0.00 C ATOM 196 C ALA A 88 -5.790 -0.685 3.381 1.00 0.00 C ATOM 197 O ALA A 88 -4.601 -0.842 3.578 1.00 0.00 O ATOM 198 CB ALA A 88 -7.034 -2.696 2.567 1.00 0.00 C ATOM 0 H ALA A 88 -8.917 -1.443 3.619 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.444 -2.339 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.095 -3.184 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.774 -3.451 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.392 -2.121 1.713 1.00 0.00 H new ATOM 204 N PHE A 89 -6.250 0.409 2.844 1.00 0.00 N ATOM 205 CA PHE A 89 -5.324 1.502 2.459 1.00 0.00 C ATOM 206 C PHE A 89 -4.653 2.066 3.704 1.00 0.00 C ATOM 207 O PHE A 89 -3.446 2.168 3.785 1.00 0.00 O ATOM 208 CB PHE A 89 -6.106 2.617 1.780 1.00 0.00 C ATOM 209 CG PHE A 89 -5.158 3.747 1.499 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.287 3.654 0.414 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.139 4.878 2.322 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.393 4.691 0.141 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.244 5.919 2.053 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.371 5.827 0.960 1.00 0.00 C ATOM 0 H PHE A 89 -7.236 0.592 2.655 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.571 1.106 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.555 2.258 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.921 2.954 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.304 2.778 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.813 4.947 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.720 4.617 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.226 6.793 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.682 6.632 0.750 1.00 0.00 H new ATOM 224 N ARG A 90 -5.437 2.442 4.670 1.00 0.00 N ATOM 225 CA ARG A 90 -4.875 3.010 5.924 1.00 0.00 C ATOM 226 C ARG A 90 -4.050 1.936 6.635 1.00 0.00 C ATOM 227 O ARG A 90 -3.154 2.231 7.400 1.00 0.00 O ATOM 228 CB ARG A 90 -6.030 3.452 6.821 1.00 0.00 C ATOM 229 CG ARG A 90 -5.947 4.958 7.065 1.00 0.00 C ATOM 230 CD ARG A 90 -6.744 5.316 8.322 1.00 0.00 C ATOM 231 NE ARG A 90 -6.238 4.520 9.477 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.076 3.909 10.270 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.100 3.268 9.773 1.00 0.00 N ATOM 234 NH2 ARG A 90 -6.890 3.937 11.562 1.00 0.00 N ATOM 0 H ARG A 90 -6.455 2.380 4.645 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.236 3.864 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.982 3.202 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.991 2.918 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.907 5.261 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.342 5.499 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.651 6.381 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.803 5.113 8.164 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.235 4.453 9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.246 3.244 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.754 2.791 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.090 4.436 11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.544 3.460 12.182 1.00 0.00 H new ATOM 248 N VAL A 91 -4.342 0.692 6.375 1.00 0.00 N ATOM 249 CA VAL A 91 -3.572 -0.407 7.019 1.00 0.00 C ATOM 250 C VAL A 91 -2.090 -0.211 6.694 1.00 0.00 C ATOM 251 O VAL A 91 -1.218 -0.671 7.402 1.00 0.00 O ATOM 252 CB VAL A 91 -4.064 -1.750 6.471 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.120 -2.870 6.901 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.465 -2.034 7.018 1.00 0.00 C ATOM 0 H VAL A 91 -5.083 0.389 5.743 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.712 -0.396 8.100 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.090 -1.704 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.479 -3.820 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.120 -2.671 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.086 -2.919 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.820 -2.989 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.429 -2.074 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.145 -1.241 6.707 1.00 0.00 H new ATOM 264 N PHE A 92 -1.812 0.494 5.632 1.00 0.00 N ATOM 265 CA PHE A 92 -0.399 0.764 5.246 1.00 0.00 C ATOM 266 C PHE A 92 -0.075 2.217 5.598 1.00 0.00 C ATOM 267 O PHE A 92 1.017 2.545 6.017 1.00 0.00 O ATOM 268 CB PHE A 92 -0.233 0.557 3.739 1.00 0.00 C ATOM 269 CG PHE A 92 -0.347 -0.913 3.415 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.790 -1.729 3.453 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.591 -1.462 3.076 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.684 -3.093 3.153 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.696 -2.825 2.775 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.560 -3.640 2.815 1.00 0.00 C ATOM 0 H PHE A 92 -2.511 0.898 5.009 1.00 0.00 H new ATOM 0 HA PHE A 92 0.272 0.088 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.994 1.119 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.735 0.938 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.749 -1.307 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.469 -0.833 3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.561 -3.722 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.654 -3.247 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.642 -4.692 2.585 1.00 0.00 H new ATOM 284 N ASP A 93 -1.036 3.086 5.433 1.00 0.00 N ATOM 285 CA ASP A 93 -0.827 4.524 5.756 1.00 0.00 C ATOM 286 C ASP A 93 -1.061 4.737 7.254 1.00 0.00 C ATOM 287 O ASP A 93 -2.176 4.674 7.730 1.00 0.00 O ATOM 288 CB ASP A 93 -1.832 5.358 4.956 1.00 0.00 C ATOM 289 CG ASP A 93 -1.438 6.834 5.008 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.265 7.109 5.209 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.316 7.667 4.849 1.00 0.00 O ATOM 0 H ASP A 93 -1.967 2.856 5.084 1.00 0.00 H new ATOM 0 HA ASP A 93 0.189 4.826 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.860 5.016 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.834 5.225 5.363 1.00 0.00 H new ATOM 296 N LYS A 94 -0.020 4.977 8.005 1.00 0.00 N ATOM 297 CA LYS A 94 -0.192 5.176 9.468 1.00 0.00 C ATOM 298 C LYS A 94 -0.564 6.625 9.759 1.00 0.00 C ATOM 299 O LYS A 94 -1.208 6.924 10.745 1.00 0.00 O ATOM 300 CB LYS A 94 1.108 4.824 10.180 1.00 0.00 C ATOM 301 CG LYS A 94 1.507 3.387 9.840 1.00 0.00 C ATOM 302 CD LYS A 94 0.777 2.416 10.771 1.00 0.00 C ATOM 303 CE LYS A 94 0.128 1.306 9.942 1.00 0.00 C ATOM 304 NZ LYS A 94 -1.310 1.627 9.722 1.00 0.00 N ATOM 0 H LYS A 94 0.940 5.043 7.667 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.992 4.529 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.897 5.512 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.985 4.933 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.259 3.166 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.585 3.264 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.477 1.987 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.018 2.947 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.640 1.206 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.224 0.350 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.900 0.865 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.542 2.522 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.493 1.718 8.702 1.00 0.00 H new ATOM 318 N ASP A 95 -0.179 7.526 8.910 1.00 0.00 N ATOM 319 CA ASP A 95 -0.529 8.950 9.145 1.00 0.00 C ATOM 320 C ASP A 95 -1.978 9.182 8.713 1.00 0.00 C ATOM 321 O ASP A 95 -2.475 10.288 8.767 1.00 0.00 O ATOM 322 CB ASP A 95 0.403 9.851 8.331 1.00 0.00 C ATOM 323 CG ASP A 95 1.354 10.588 9.277 1.00 0.00 C ATOM 324 OD1 ASP A 95 0.873 11.157 10.243 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.546 10.571 9.019 1.00 0.00 O ATOM 0 H ASP A 95 0.362 7.342 8.065 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.417 9.188 10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.972 9.254 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.180 10.568 7.753 1.00 0.00 H new ATOM 330 N GLY A 96 -2.657 8.139 8.292 1.00 0.00 N ATOM 331 CA GLY A 96 -4.080 8.285 7.857 1.00 0.00 C ATOM 332 C GLY A 96 -4.273 9.624 7.140 1.00 0.00 C ATOM 333 O GLY A 96 -5.293 10.270 7.278 1.00 0.00 O ATOM 0 H GLY A 96 -2.284 7.192 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.352 7.465 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.741 8.227 8.722 1.00 0.00 H new ATOM 337 N ASN A 97 -3.300 10.051 6.382 1.00 0.00 N ATOM 338 CA ASN A 97 -3.430 11.353 5.669 1.00 0.00 C ATOM 339 C ASN A 97 -3.972 11.121 4.257 1.00 0.00 C ATOM 340 O ASN A 97 -4.827 11.843 3.784 1.00 0.00 O ATOM 341 CB ASN A 97 -2.059 12.029 5.586 1.00 0.00 C ATOM 342 CG ASN A 97 -1.151 11.241 4.639 1.00 0.00 C ATOM 343 OD1 ASN A 97 -0.948 10.057 4.820 1.00 0.00 O ATOM 344 ND2 ASN A 97 -0.591 11.852 3.631 1.00 0.00 N ATOM 0 H ASN A 97 -2.422 9.555 6.226 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.121 11.994 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.169 13.054 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.608 12.082 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.017 11.335 2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.761 12.846 3.479 1.00 0.00 H new ATOM 351 N GLY A 98 -3.482 10.122 3.577 1.00 0.00 N ATOM 352 CA GLY A 98 -3.973 9.852 2.196 1.00 0.00 C ATOM 353 C GLY A 98 -2.836 9.278 1.349 1.00 0.00 C ATOM 354 O GLY A 98 -3.066 8.645 0.339 1.00 0.00 O ATOM 0 H GLY A 98 -2.764 9.482 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.807 9.151 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.346 10.772 1.746 1.00 0.00 H new ATOM 358 N TYR A 99 -1.612 9.491 1.750 1.00 0.00 N ATOM 359 CA TYR A 99 -0.474 8.953 0.961 1.00 0.00 C ATOM 360 C TYR A 99 0.357 8.013 1.831 1.00 0.00 C ATOM 361 O TYR A 99 0.520 8.224 3.017 1.00 0.00 O ATOM 362 CB TYR A 99 0.403 10.100 0.465 1.00 0.00 C ATOM 363 CG TYR A 99 0.042 10.423 -0.963 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.302 10.462 -1.353 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.051 10.679 -1.899 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.636 10.758 -2.677 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.716 10.973 -3.224 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.628 11.014 -3.615 1.00 0.00 C ATOM 369 OH TYR A 99 -0.959 11.305 -4.923 1.00 0.00 O ATOM 0 H TYR A 99 -1.354 10.013 2.588 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.863 8.403 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.263 10.978 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.455 9.824 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.080 10.263 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.088 10.649 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.673 10.789 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.494 11.169 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.141 11.457 -5.441 1.00 0.00 H new ATOM 379 N ILE A 100 0.880 6.975 1.246 1.00 0.00 N ATOM 380 CA ILE A 100 1.697 6.009 2.022 1.00 0.00 C ATOM 381 C ILE A 100 3.169 6.152 1.629 1.00 0.00 C ATOM 382 O ILE A 100 3.565 5.797 0.537 1.00 0.00 O ATOM 383 CB ILE A 100 1.222 4.594 1.699 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.217 4.416 2.198 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.137 3.579 2.390 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.864 3.220 1.502 1.00 0.00 C ATOM 0 H ILE A 100 0.775 6.754 0.256 1.00 0.00 H new ATOM 0 HA ILE A 100 1.589 6.205 3.089 1.00 0.00 H new ATOM 0 HB ILE A 100 1.255 4.433 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.221 4.265 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.794 5.319 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.799 2.569 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.159 3.709 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.105 3.736 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.886 3.099 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.875 3.388 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.293 2.318 1.723 1.00 0.00 H new ATOM 398 N SER A 101 3.984 6.661 2.511 1.00 0.00 N ATOM 399 CA SER A 101 5.430 6.817 2.185 1.00 0.00 C ATOM 400 C SER A 101 6.109 5.446 2.234 1.00 0.00 C ATOM 401 O SER A 101 5.582 4.502 2.790 1.00 0.00 O ATOM 402 CB SER A 101 6.084 7.752 3.204 1.00 0.00 C ATOM 403 OG SER A 101 5.273 7.816 4.369 1.00 0.00 O ATOM 0 H SER A 101 3.712 6.975 3.442 1.00 0.00 H new ATOM 0 HA SER A 101 5.538 7.241 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.080 7.391 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.206 8.747 2.776 1.00 0.00 H new ATOM 0 HG SER A 101 4.576 8.493 4.245 1.00 0.00 H new ATOM 409 N ALA A 102 7.273 5.325 1.656 1.00 0.00 N ATOM 410 CA ALA A 102 7.979 4.012 1.671 1.00 0.00 C ATOM 411 C ALA A 102 8.128 3.533 3.114 1.00 0.00 C ATOM 412 O ALA A 102 8.032 2.357 3.399 1.00 0.00 O ATOM 413 CB ALA A 102 9.362 4.169 1.037 1.00 0.00 C ATOM 0 H ALA A 102 7.765 6.078 1.175 1.00 0.00 H new ATOM 0 HA ALA A 102 7.403 3.281 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.878 3.209 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.254 4.511 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.941 4.899 1.603 1.00 0.00 H new ATOM 419 N ALA A 103 8.363 4.435 4.025 1.00 0.00 N ATOM 420 CA ALA A 103 8.517 4.035 5.447 1.00 0.00 C ATOM 421 C ALA A 103 7.170 3.552 5.986 1.00 0.00 C ATOM 422 O ALA A 103 7.103 2.627 6.773 1.00 0.00 O ATOM 423 CB ALA A 103 8.996 5.235 6.265 1.00 0.00 C ATOM 0 H ALA A 103 8.455 5.434 3.843 1.00 0.00 H new ATOM 0 HA ALA A 103 9.249 3.231 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.109 4.942 7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.955 5.579 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.265 6.040 6.191 1.00 0.00 H new ATOM 429 N GLU A 104 6.097 4.165 5.566 1.00 0.00 N ATOM 430 CA GLU A 104 4.758 3.735 6.051 1.00 0.00 C ATOM 431 C GLU A 104 4.407 2.394 5.410 1.00 0.00 C ATOM 432 O GLU A 104 3.598 1.641 5.918 1.00 0.00 O ATOM 433 CB GLU A 104 3.712 4.778 5.657 1.00 0.00 C ATOM 434 CG GLU A 104 3.982 6.080 6.410 1.00 0.00 C ATOM 435 CD GLU A 104 2.843 7.068 6.152 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.308 7.053 5.054 1.00 0.00 O ATOM 437 OE2 GLU A 104 2.524 7.823 7.055 1.00 0.00 O ATOM 0 H GLU A 104 6.091 4.945 4.908 1.00 0.00 H new ATOM 0 HA GLU A 104 4.773 3.634 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.745 4.954 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.712 4.412 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.070 5.882 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.930 6.510 6.086 1.00 0.00 H new ATOM 444 N LEU A 105 5.014 2.088 4.295 1.00 0.00 N ATOM 445 CA LEU A 105 4.723 0.797 3.614 1.00 0.00 C ATOM 446 C LEU A 105 5.681 -0.280 4.129 1.00 0.00 C ATOM 447 O LEU A 105 5.401 -1.459 4.049 1.00 0.00 O ATOM 448 CB LEU A 105 4.912 0.970 2.103 1.00 0.00 C ATOM 449 CG LEU A 105 4.860 -0.396 1.414 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.411 -0.879 1.339 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.426 -0.270 -0.002 1.00 0.00 C ATOM 0 H LEU A 105 5.701 2.679 3.826 1.00 0.00 H new ATOM 0 HA LEU A 105 3.696 0.496 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.134 1.620 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.867 1.454 1.900 1.00 0.00 H new ATOM 0 HG LEU A 105 5.451 -1.112 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.377 -1.852 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.004 -0.966 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.818 -0.164 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.391 -1.241 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.832 0.447 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.459 0.074 0.048 1.00 0.00 H new ATOM 463 N ARG A 106 6.814 0.112 4.648 1.00 0.00 N ATOM 464 CA ARG A 106 7.787 -0.885 5.154 1.00 0.00 C ATOM 465 C ARG A 106 7.429 -1.280 6.590 1.00 0.00 C ATOM 466 O ARG A 106 7.616 -2.410 6.995 1.00 0.00 O ATOM 467 CB ARG A 106 9.176 -0.250 5.109 1.00 0.00 C ATOM 468 CG ARG A 106 10.133 -0.996 6.035 1.00 0.00 C ATOM 469 CD ARG A 106 11.565 -0.507 5.802 1.00 0.00 C ATOM 470 NE ARG A 106 11.564 0.771 5.030 1.00 0.00 N ATOM 471 CZ ARG A 106 12.088 1.849 5.547 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.092 1.756 6.375 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.611 3.020 5.228 1.00 0.00 N ATOM 0 H ARG A 106 7.104 1.085 4.741 1.00 0.00 H new ATOM 0 HA ARG A 106 7.767 -1.785 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.559 -0.269 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.114 0.797 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.848 -0.834 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.070 -2.068 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.065 -0.360 6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.130 -1.265 5.260 1.00 0.00 H new ATOM 0 HE ARG A 106 11.153 0.802 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.469 0.840 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.500 2.599 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.830 3.092 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.019 3.864 5.631 1.00 0.00 H new ATOM 487 N HIS A 107 6.917 -0.365 7.364 1.00 0.00 N ATOM 488 CA HIS A 107 6.553 -0.705 8.769 1.00 0.00 C ATOM 489 C HIS A 107 5.488 -1.802 8.768 1.00 0.00 C ATOM 490 O HIS A 107 5.531 -2.722 9.560 1.00 0.00 O ATOM 491 CB HIS A 107 6.002 0.534 9.478 1.00 0.00 C ATOM 492 CG HIS A 107 5.417 0.127 10.805 1.00 0.00 C ATOM 493 ND1 HIS A 107 6.141 -0.596 11.739 1.00 0.00 N ATOM 494 CD2 HIS A 107 4.178 0.327 11.364 1.00 0.00 C ATOM 495 CE1 HIS A 107 5.339 -0.804 12.800 1.00 0.00 C ATOM 496 NE2 HIS A 107 4.132 -0.263 12.624 1.00 0.00 N ATOM 0 H HIS A 107 6.735 0.600 7.087 1.00 0.00 H new ATOM 0 HA HIS A 107 7.442 -1.055 9.294 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.796 1.266 9.626 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.240 1.011 8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.364 0.861 10.897 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.637 -1.344 13.687 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.345 -0.278 13.273 1.00 0.00 H new ATOM 504 N VAL A 108 4.528 -1.711 7.888 1.00 0.00 N ATOM 505 CA VAL A 108 3.459 -2.746 7.846 1.00 0.00 C ATOM 506 C VAL A 108 3.903 -3.914 6.966 1.00 0.00 C ATOM 507 O VAL A 108 3.430 -5.024 7.109 1.00 0.00 O ATOM 508 CB VAL A 108 2.179 -2.138 7.274 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.062 -3.182 7.308 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.770 -0.928 8.117 1.00 0.00 C ATOM 0 H VAL A 108 4.439 -0.965 7.198 1.00 0.00 H new ATOM 0 HA VAL A 108 3.271 -3.107 8.857 1.00 0.00 H new ATOM 0 HB VAL A 108 2.353 -1.823 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.148 -2.750 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.353 -4.046 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.888 -3.495 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.857 -0.493 7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.595 -1.244 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.567 -0.184 8.097 1.00 0.00 H new ATOM 520 N MET A 109 4.807 -3.677 6.058 1.00 0.00 N ATOM 521 CA MET A 109 5.277 -4.780 5.174 1.00 0.00 C ATOM 522 C MET A 109 6.173 -5.724 5.976 1.00 0.00 C ATOM 523 O MET A 109 6.367 -6.868 5.616 1.00 0.00 O ATOM 524 CB MET A 109 6.074 -4.200 4.003 1.00 0.00 C ATOM 525 CG MET A 109 5.114 -3.774 2.892 1.00 0.00 C ATOM 526 SD MET A 109 4.804 -5.176 1.791 1.00 0.00 S ATOM 527 CE MET A 109 3.002 -5.021 1.735 1.00 0.00 C ATOM 0 H MET A 109 5.240 -2.769 5.889 1.00 0.00 H new ATOM 0 HA MET A 109 4.416 -5.326 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.662 -3.345 4.338 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.777 -4.942 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.177 -3.422 3.322 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.539 -2.943 2.329 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.599 -5.721 1.003 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.587 -5.244 2.718 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.733 -4.004 1.450 1.00 0.00 H new ATOM 537 N THR A 110 6.722 -5.252 7.060 1.00 0.00 N ATOM 538 CA THR A 110 7.608 -6.120 7.882 1.00 0.00 C ATOM 539 C THR A 110 6.773 -6.865 8.926 1.00 0.00 C ATOM 540 O THR A 110 7.139 -7.930 9.383 1.00 0.00 O ATOM 541 CB THR A 110 8.659 -5.259 8.582 1.00 0.00 C ATOM 542 OG1 THR A 110 9.676 -6.096 9.119 1.00 0.00 O ATOM 543 CG2 THR A 110 7.990 -4.467 9.702 1.00 0.00 C ATOM 0 H THR A 110 6.595 -4.303 7.412 1.00 0.00 H new ATOM 0 HA THR A 110 8.106 -6.844 7.237 1.00 0.00 H new ATOM 0 HB THR A 110 9.108 -4.568 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.671 -6.957 8.652 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.734 -3.850 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.213 -3.828 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.544 -5.156 10.419 1.00 0.00 H new ATOM 551 N ASN A 111 5.654 -6.313 9.308 1.00 0.00 N ATOM 552 CA ASN A 111 4.800 -6.991 10.324 1.00 0.00 C ATOM 553 C ASN A 111 4.620 -8.461 9.939 1.00 0.00 C ATOM 554 O ASN A 111 4.945 -9.355 10.695 1.00 0.00 O ATOM 555 CB ASN A 111 3.431 -6.306 10.376 1.00 0.00 C ATOM 556 CG ASN A 111 3.037 -6.053 11.832 1.00 0.00 C ATOM 557 OD1 ASN A 111 3.693 -5.308 12.532 1.00 0.00 O ATOM 558 ND2 ASN A 111 1.982 -6.647 12.321 1.00 0.00 N ATOM 0 H ASN A 111 5.295 -5.424 8.961 1.00 0.00 H new ATOM 0 HA ASN A 111 5.277 -6.927 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.464 -5.364 9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.682 -6.931 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.709 -6.485 13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.431 -7.273 11.734 1.00 0.00 H new ATOM 565 N LEU A 112 4.105 -8.716 8.768 1.00 0.00 N ATOM 566 CA LEU A 112 3.904 -10.123 8.330 1.00 0.00 C ATOM 567 C LEU A 112 4.598 -10.347 6.986 1.00 0.00 C ATOM 568 O LEU A 112 4.513 -11.409 6.401 1.00 0.00 O ATOM 569 CB LEU A 112 2.408 -10.399 8.179 1.00 0.00 C ATOM 570 CG LEU A 112 1.663 -9.847 9.395 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.059 -8.486 9.050 1.00 0.00 C ATOM 572 CD2 LEU A 112 0.547 -10.816 9.787 1.00 0.00 C ATOM 0 H LEU A 112 3.814 -8.007 8.095 1.00 0.00 H new ATOM 0 HA LEU A 112 4.328 -10.797 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.032 -9.935 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.232 -11.471 8.087 1.00 0.00 H new ATOM 0 HG LEU A 112 2.357 -9.733 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.528 -8.093 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.854 -7.796 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.363 -8.597 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.014 -10.425 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.147 -10.928 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.978 -11.787 10.033 1.00 0.00 H new ATOM 584 N GLY A 113 5.286 -9.356 6.489 1.00 0.00 N ATOM 585 CA GLY A 113 5.984 -9.515 5.183 1.00 0.00 C ATOM 586 C GLY A 113 7.493 -9.579 5.418 1.00 0.00 C ATOM 587 O GLY A 113 8.248 -8.799 4.873 1.00 0.00 O ATOM 0 H GLY A 113 5.395 -8.443 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.644 -10.423 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.742 -8.680 4.525 1.00 0.00 H new ATOM 591 N GLU A 114 7.940 -10.500 6.229 1.00 0.00 N ATOM 592 CA GLU A 114 9.401 -10.602 6.496 1.00 0.00 C ATOM 593 C GLU A 114 9.956 -9.198 6.757 1.00 0.00 C ATOM 594 O GLU A 114 9.379 -8.431 7.497 1.00 0.00 O ATOM 595 CB GLU A 114 10.090 -11.232 5.285 1.00 0.00 C ATOM 596 CG GLU A 114 9.349 -12.512 4.888 1.00 0.00 C ATOM 597 CD GLU A 114 10.322 -13.693 4.901 1.00 0.00 C ATOM 598 OE1 GLU A 114 11.434 -13.527 4.427 1.00 0.00 O ATOM 599 OE2 GLU A 114 9.939 -14.744 5.386 1.00 0.00 O ATOM 0 H GLU A 114 7.359 -11.183 6.715 1.00 0.00 H new ATOM 0 HA GLU A 114 9.585 -11.227 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.098 -10.530 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.130 -11.459 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.527 -12.698 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.912 -12.399 3.896 1.00 0.00 H new ATOM 606 N LYS A 115 11.070 -8.849 6.169 1.00 0.00 N ATOM 607 CA LYS A 115 11.634 -7.493 6.405 1.00 0.00 C ATOM 608 C LYS A 115 12.375 -7.021 5.152 1.00 0.00 C ATOM 609 O LYS A 115 13.587 -7.059 5.089 1.00 0.00 O ATOM 610 CB LYS A 115 12.611 -7.562 7.576 1.00 0.00 C ATOM 611 CG LYS A 115 13.285 -6.203 7.768 1.00 0.00 C ATOM 612 CD LYS A 115 14.716 -6.410 8.270 1.00 0.00 C ATOM 613 CE LYS A 115 15.672 -6.449 7.078 1.00 0.00 C ATOM 614 NZ LYS A 115 15.685 -5.116 6.409 1.00 0.00 N ATOM 0 H LYS A 115 11.609 -9.443 5.539 1.00 0.00 H new ATOM 0 HA LYS A 115 10.830 -6.793 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.083 -7.848 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.363 -8.328 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.294 -5.653 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.721 -5.603 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.995 -5.604 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.784 -7.340 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.676 -6.710 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.360 -7.219 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.294 -5.205 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.108 -4.447 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.662 -4.765 6.353 1.00 0.00 H new ATOM 628 N LEU A 116 11.662 -6.573 4.155 1.00 0.00 N ATOM 629 CA LEU A 116 12.343 -6.102 2.917 1.00 0.00 C ATOM 630 C LEU A 116 13.123 -4.823 3.233 1.00 0.00 C ATOM 631 O LEU A 116 12.708 -4.016 4.042 1.00 0.00 O ATOM 632 CB LEU A 116 11.304 -5.837 1.820 1.00 0.00 C ATOM 633 CG LEU A 116 10.430 -4.640 2.198 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.938 -3.947 0.924 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.225 -5.124 3.008 1.00 0.00 C ATOM 0 H LEU A 116 10.644 -6.513 4.144 1.00 0.00 H new ATOM 0 HA LEU A 116 13.034 -6.866 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.806 -5.645 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.682 -6.720 1.677 1.00 0.00 H new ATOM 0 HG LEU A 116 11.013 -3.939 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.315 -3.094 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.794 -3.603 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.355 -4.650 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.602 -4.271 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.642 -5.825 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.572 -5.621 3.914 1.00 0.00 H new ATOM 647 N THR A 117 14.257 -4.640 2.615 1.00 0.00 N ATOM 648 CA THR A 117 15.070 -3.422 2.899 1.00 0.00 C ATOM 649 C THR A 117 14.472 -2.216 2.177 1.00 0.00 C ATOM 650 O THR A 117 13.317 -2.211 1.799 1.00 0.00 O ATOM 651 CB THR A 117 16.507 -3.637 2.415 1.00 0.00 C ATOM 652 OG1 THR A 117 16.539 -3.593 0.996 1.00 0.00 O ATOM 653 CG2 THR A 117 17.015 -4.995 2.897 1.00 0.00 C ATOM 0 H THR A 117 14.656 -5.279 1.927 1.00 0.00 H new ATOM 0 HA THR A 117 15.068 -3.238 3.973 1.00 0.00 H new ATOM 0 HB THR A 117 17.146 -2.851 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.892 -4.440 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.038 -5.145 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.992 -5.026 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.378 -5.784 2.498 1.00 0.00 H new ATOM 661 N ASP A 118 15.255 -1.192 1.983 1.00 0.00 N ATOM 662 CA ASP A 118 14.747 0.018 1.286 1.00 0.00 C ATOM 663 C ASP A 118 14.760 -0.220 -0.224 1.00 0.00 C ATOM 664 O ASP A 118 13.790 0.031 -0.911 1.00 0.00 O ATOM 665 CB ASP A 118 15.638 1.207 1.626 1.00 0.00 C ATOM 666 CG ASP A 118 15.091 1.920 2.865 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.049 1.296 3.912 1.00 0.00 O ATOM 668 OD2 ASP A 118 14.723 3.077 2.745 1.00 0.00 O ATOM 0 H ASP A 118 16.230 -1.143 2.279 1.00 0.00 H new ATOM 0 HA ASP A 118 13.727 0.225 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.658 0.869 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.677 1.898 0.784 1.00 0.00 H new ATOM 673 N GLU A 119 15.853 -0.707 -0.746 1.00 0.00 N ATOM 674 CA GLU A 119 15.924 -0.965 -2.212 1.00 0.00 C ATOM 675 C GLU A 119 14.776 -1.888 -2.614 1.00 0.00 C ATOM 676 O GLU A 119 14.365 -1.930 -3.755 1.00 0.00 O ATOM 677 CB GLU A 119 17.258 -1.630 -2.554 1.00 0.00 C ATOM 678 CG GLU A 119 18.275 -0.561 -2.954 1.00 0.00 C ATOM 679 CD GLU A 119 19.191 -0.257 -1.768 1.00 0.00 C ATOM 680 OE1 GLU A 119 18.699 0.280 -0.789 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.366 -0.567 -1.857 1.00 0.00 O ATOM 0 H GLU A 119 16.697 -0.937 -0.222 1.00 0.00 H new ATOM 0 HA GLU A 119 15.845 -0.022 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.626 -2.194 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.123 -2.341 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.865 -0.905 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.760 0.346 -3.270 1.00 0.00 H new ATOM 688 N GLU A 120 14.249 -2.619 -1.675 1.00 0.00 N ATOM 689 CA GLU A 120 13.123 -3.529 -1.981 1.00 0.00 C ATOM 690 C GLU A 120 11.826 -2.744 -1.841 1.00 0.00 C ATOM 691 O GLU A 120 10.965 -2.780 -2.694 1.00 0.00 O ATOM 692 CB GLU A 120 13.128 -4.673 -0.977 1.00 0.00 C ATOM 693 CG GLU A 120 14.561 -5.138 -0.742 1.00 0.00 C ATOM 694 CD GLU A 120 15.144 -5.692 -2.044 1.00 0.00 C ATOM 695 OE1 GLU A 120 14.453 -6.453 -2.702 1.00 0.00 O ATOM 696 OE2 GLU A 120 16.270 -5.348 -2.361 1.00 0.00 O ATOM 0 H GLU A 120 14.555 -2.622 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 120 13.215 -3.928 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.681 -4.348 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.523 -5.500 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.169 -4.307 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.582 -5.905 0.032 1.00 0.00 H new ATOM 703 N VAL A 121 11.691 -2.029 -0.760 1.00 0.00 N ATOM 704 CA VAL A 121 10.454 -1.225 -0.543 1.00 0.00 C ATOM 705 C VAL A 121 10.123 -0.446 -1.817 1.00 0.00 C ATOM 706 O VAL A 121 9.009 -0.471 -2.295 1.00 0.00 O ATOM 707 CB VAL A 121 10.679 -0.238 0.606 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.532 0.774 0.643 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.728 -0.999 1.934 1.00 0.00 C ATOM 0 H VAL A 121 12.385 -1.966 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 121 9.629 -1.892 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 121 11.622 0.286 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.693 1.476 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.496 1.318 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.589 0.249 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.888 -0.295 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.785 -1.524 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.545 -1.720 1.910 1.00 0.00 H new ATOM 719 N ASP A 122 11.082 0.249 -2.366 1.00 0.00 N ATOM 720 CA ASP A 122 10.824 1.034 -3.606 1.00 0.00 C ATOM 721 C ASP A 122 10.262 0.117 -4.693 1.00 0.00 C ATOM 722 O ASP A 122 9.397 0.502 -5.450 1.00 0.00 O ATOM 723 CB ASP A 122 12.134 1.658 -4.094 1.00 0.00 C ATOM 724 CG ASP A 122 11.852 2.575 -5.285 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.804 2.073 -6.397 1.00 0.00 O ATOM 726 OD2 ASP A 122 11.689 3.765 -5.067 1.00 0.00 O ATOM 0 H ASP A 122 12.035 0.307 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 122 10.101 1.820 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.601 2.224 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.836 0.876 -4.382 1.00 0.00 H new ATOM 731 N GLU A 123 10.748 -1.091 -4.780 1.00 0.00 N ATOM 732 CA GLU A 123 10.234 -2.023 -5.825 1.00 0.00 C ATOM 733 C GLU A 123 8.779 -2.388 -5.518 1.00 0.00 C ATOM 734 O GLU A 123 7.959 -2.497 -6.409 1.00 0.00 O ATOM 735 CB GLU A 123 11.089 -3.293 -5.846 1.00 0.00 C ATOM 736 CG GLU A 123 12.458 -2.974 -6.456 1.00 0.00 C ATOM 737 CD GLU A 123 13.036 -4.233 -7.105 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.690 -4.989 -6.405 1.00 0.00 O ATOM 739 OE2 GLU A 123 12.816 -4.420 -8.290 1.00 0.00 O ATOM 0 H GLU A 123 11.476 -1.472 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 123 10.286 -1.537 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.210 -3.680 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.592 -4.070 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.361 -2.182 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.135 -2.607 -5.684 1.00 0.00 H new ATOM 746 N MET A 124 8.445 -2.567 -4.268 1.00 0.00 N ATOM 747 CA MET A 124 7.040 -2.913 -3.917 1.00 0.00 C ATOM 748 C MET A 124 6.146 -1.706 -4.205 1.00 0.00 C ATOM 749 O MET A 124 4.987 -1.844 -4.546 1.00 0.00 O ATOM 750 CB MET A 124 6.953 -3.286 -2.439 1.00 0.00 C ATOM 751 CG MET A 124 7.442 -4.722 -2.247 1.00 0.00 C ATOM 752 SD MET A 124 6.220 -5.871 -2.931 1.00 0.00 S ATOM 753 CE MET A 124 5.528 -6.435 -1.356 1.00 0.00 C ATOM 0 H MET A 124 9.084 -2.488 -3.477 1.00 0.00 H new ATOM 0 HA MET A 124 6.709 -3.764 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.558 -2.602 -1.844 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.925 -3.190 -2.088 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.403 -4.860 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.597 -4.927 -1.188 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.158 -7.454 -1.465 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.302 -6.410 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.707 -5.780 -1.064 1.00 0.00 H new ATOM 763 N ILE A 125 6.684 -0.522 -4.085 1.00 0.00 N ATOM 764 CA ILE A 125 5.887 0.698 -4.363 1.00 0.00 C ATOM 765 C ILE A 125 5.658 0.805 -5.868 1.00 0.00 C ATOM 766 O ILE A 125 4.593 1.160 -6.324 1.00 0.00 O ATOM 767 CB ILE A 125 6.657 1.928 -3.879 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.646 1.954 -2.342 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.990 3.195 -4.434 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.860 3.382 -1.828 1.00 0.00 C ATOM 0 H ILE A 125 7.649 -0.351 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 125 4.930 0.642 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 125 7.688 1.887 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.696 1.567 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.429 1.301 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.536 4.074 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.000 3.164 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.960 3.248 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.849 3.382 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.821 3.756 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.062 4.025 -2.199 1.00 0.00 H new ATOM 782 N ARG A 126 6.658 0.498 -6.637 1.00 0.00 N ATOM 783 CA ARG A 126 6.516 0.573 -8.118 1.00 0.00 C ATOM 784 C ARG A 126 5.422 -0.397 -8.568 1.00 0.00 C ATOM 785 O ARG A 126 4.886 -0.284 -9.652 1.00 0.00 O ATOM 786 CB ARG A 126 7.842 0.188 -8.781 1.00 0.00 C ATOM 787 CG ARG A 126 8.612 1.454 -9.161 1.00 0.00 C ATOM 788 CD ARG A 126 9.957 1.065 -9.780 1.00 0.00 C ATOM 789 NE ARG A 126 9.802 0.895 -11.252 1.00 0.00 N ATOM 790 CZ ARG A 126 10.445 -0.055 -11.871 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.565 -0.512 -11.380 1.00 0.00 N ATOM 792 NH2 ARG A 126 9.974 -0.546 -12.984 1.00 0.00 N ATOM 0 H ARG A 126 7.574 0.196 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 126 6.249 1.589 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.437 -0.421 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.655 -0.416 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.032 2.047 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.771 2.075 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.701 1.833 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.320 0.139 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 126 9.192 1.523 -11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.937 -0.126 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.068 -1.255 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.101 -0.187 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.478 -1.289 -13.467 1.00 0.00 H new ATOM 806 N GLU A 127 5.086 -1.351 -7.742 1.00 0.00 N ATOM 807 CA GLU A 127 4.026 -2.326 -8.122 1.00 0.00 C ATOM 808 C GLU A 127 2.667 -1.803 -7.657 1.00 0.00 C ATOM 809 O GLU A 127 1.634 -2.193 -8.164 1.00 0.00 O ATOM 810 CB GLU A 127 4.309 -3.672 -7.459 1.00 0.00 C ATOM 811 CG GLU A 127 5.736 -4.115 -7.786 1.00 0.00 C ATOM 812 CD GLU A 127 5.803 -4.594 -9.237 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.048 -3.769 -10.102 1.00 0.00 O ATOM 814 OE2 GLU A 127 5.607 -5.777 -9.459 1.00 0.00 O ATOM 0 H GLU A 127 5.500 -1.496 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 127 4.017 -2.452 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.181 -3.591 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.596 -4.419 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.429 -3.288 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.042 -4.916 -7.113 1.00 0.00 H new ATOM 821 N ALA A 128 2.664 -0.921 -6.698 1.00 0.00 N ATOM 822 CA ALA A 128 1.380 -0.363 -6.198 1.00 0.00 C ATOM 823 C ALA A 128 1.070 0.921 -6.967 1.00 0.00 C ATOM 824 O ALA A 128 0.114 0.997 -7.713 1.00 0.00 O ATOM 825 CB ALA A 128 1.514 -0.053 -4.707 1.00 0.00 C ATOM 0 H ALA A 128 3.500 -0.562 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 128 0.574 -1.082 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.575 0.357 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.751 -0.969 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.312 0.674 -4.557 1.00 0.00 H new ATOM 831 N ASP A 129 1.884 1.925 -6.800 1.00 0.00 N ATOM 832 CA ASP A 129 1.653 3.201 -7.530 1.00 0.00 C ATOM 833 C ASP A 129 2.085 3.029 -8.984 1.00 0.00 C ATOM 834 O ASP A 129 2.576 1.988 -9.376 1.00 0.00 O ATOM 835 CB ASP A 129 2.471 4.319 -6.884 1.00 0.00 C ATOM 836 CG ASP A 129 3.956 4.119 -7.194 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.303 3.050 -7.669 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.720 5.039 -6.953 1.00 0.00 O ATOM 0 H ASP A 129 2.700 1.917 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 129 0.595 3.460 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.139 5.288 -7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.312 4.322 -5.806 1.00 0.00 H new ATOM 843 N ILE A 130 1.906 4.038 -9.790 1.00 0.00 N ATOM 844 CA ILE A 130 2.302 3.930 -11.215 1.00 0.00 C ATOM 845 C ILE A 130 3.778 4.288 -11.368 1.00 0.00 C ATOM 846 O ILE A 130 4.601 3.462 -11.711 1.00 0.00 O ATOM 847 CB ILE A 130 1.460 4.901 -12.030 1.00 0.00 C ATOM 848 CG1 ILE A 130 -0.016 4.724 -11.680 1.00 0.00 C ATOM 849 CG2 ILE A 130 1.665 4.642 -13.523 1.00 0.00 C ATOM 850 CD1 ILE A 130 -0.355 3.241 -11.539 1.00 0.00 C ATOM 0 H ILE A 130 1.501 4.934 -9.519 1.00 0.00 H new ATOM 0 HA ILE A 130 2.144 2.910 -11.566 1.00 0.00 H new ATOM 0 HB ILE A 130 1.768 5.920 -11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.241 5.245 -10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.637 5.174 -12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.059 5.341 -14.100 1.00 0.00 H new ATOM 0 HG22 ILE A 130 2.717 4.779 -13.775 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.366 3.621 -13.760 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.410 3.131 -11.289 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.149 2.730 -12.479 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.253 2.803 -10.747 1.00 0.00 H new ATOM 862 N ASP A 131 4.108 5.520 -11.117 1.00 0.00 N ATOM 863 CA ASP A 131 5.524 5.962 -11.244 1.00 0.00 C ATOM 864 C ASP A 131 5.596 7.479 -11.051 1.00 0.00 C ATOM 865 O ASP A 131 5.936 8.214 -11.957 1.00 0.00 O ATOM 866 CB ASP A 131 6.050 5.598 -12.634 1.00 0.00 C ATOM 867 CG ASP A 131 7.433 4.955 -12.508 1.00 0.00 C ATOM 868 OD1 ASP A 131 7.938 4.896 -11.399 1.00 0.00 O ATOM 869 OD2 ASP A 131 7.962 4.532 -13.522 1.00 0.00 O ATOM 0 H ASP A 131 3.454 6.247 -10.827 1.00 0.00 H new ATOM 0 HA ASP A 131 6.132 5.467 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.362 4.910 -13.126 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.108 6.491 -13.257 1.00 0.00 H new ATOM 874 N GLY A 132 5.276 7.956 -9.879 1.00 0.00 N ATOM 875 CA GLY A 132 5.324 9.422 -9.632 1.00 0.00 C ATOM 876 C GLY A 132 6.656 9.785 -8.990 1.00 0.00 C ATOM 877 O GLY A 132 7.617 10.120 -9.654 1.00 0.00 O ATOM 0 H GLY A 132 4.983 7.391 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.200 9.964 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 132 4.502 9.719 -8.981 1.00 0.00 H new ATOM 881 N ASP A 133 6.712 9.712 -7.695 1.00 0.00 N ATOM 882 CA ASP A 133 7.972 10.043 -6.974 1.00 0.00 C ATOM 883 C ASP A 133 8.411 8.840 -6.147 1.00 0.00 C ATOM 884 O ASP A 133 9.546 8.736 -5.726 1.00 0.00 O ATOM 885 CB ASP A 133 7.738 11.225 -6.043 1.00 0.00 C ATOM 886 CG ASP A 133 6.299 11.199 -5.524 1.00 0.00 C ATOM 887 OD1 ASP A 133 5.833 10.126 -5.179 1.00 0.00 O ATOM 888 OD2 ASP A 133 5.688 12.254 -5.481 1.00 0.00 O ATOM 0 H ASP A 133 5.934 9.435 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 133 8.744 10.298 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.437 11.185 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.927 12.159 -6.572 1.00 0.00 H new ATOM 893 N GLY A 134 7.514 7.934 -5.916 1.00 0.00 N ATOM 894 CA GLY A 134 7.859 6.726 -5.115 1.00 0.00 C ATOM 895 C GLY A 134 6.888 6.591 -3.938 1.00 0.00 C ATOM 896 O GLY A 134 7.157 5.895 -2.979 1.00 0.00 O ATOM 0 H GLY A 134 6.550 7.973 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.811 5.836 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.882 6.802 -4.748 1.00 0.00 H new ATOM 900 N GLN A 135 5.761 7.248 -4.002 1.00 0.00 N ATOM 901 CA GLN A 135 4.776 7.150 -2.888 1.00 0.00 C ATOM 902 C GLN A 135 3.470 6.554 -3.420 1.00 0.00 C ATOM 903 O GLN A 135 3.300 6.375 -4.610 1.00 0.00 O ATOM 904 CB GLN A 135 4.517 8.544 -2.309 1.00 0.00 C ATOM 905 CG GLN A 135 3.600 9.336 -3.244 1.00 0.00 C ATOM 906 CD GLN A 135 3.881 10.832 -3.088 1.00 0.00 C ATOM 907 OE1 GLN A 135 3.686 11.598 -4.011 1.00 0.00 O ATOM 908 NE2 GLN A 135 4.331 11.285 -1.950 1.00 0.00 N ATOM 0 H GLN A 135 5.481 7.848 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 135 5.172 6.507 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.059 8.458 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.461 9.073 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.765 9.030 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.556 9.125 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.495 10.643 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.519 12.281 -1.836 1.00 0.00 H new ATOM 917 N VAL A 136 2.550 6.234 -2.551 1.00 0.00 N ATOM 918 CA VAL A 136 1.267 5.640 -3.011 1.00 0.00 C ATOM 919 C VAL A 136 0.092 6.462 -2.476 1.00 0.00 C ATOM 920 O VAL A 136 0.252 7.310 -1.623 1.00 0.00 O ATOM 921 CB VAL A 136 1.175 4.215 -2.462 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.161 3.589 -2.862 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.324 3.378 -3.028 1.00 0.00 C ATOM 0 H VAL A 136 2.633 6.359 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 136 1.229 5.635 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 136 1.244 4.243 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.220 2.574 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.978 4.184 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.239 3.561 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.261 2.362 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.255 3.354 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.276 3.821 -2.734 1.00 0.00 H new ATOM 933 N ASN A 137 -1.092 6.204 -2.957 1.00 0.00 N ATOM 934 CA ASN A 137 -2.282 6.941 -2.455 1.00 0.00 C ATOM 935 C ASN A 137 -3.470 5.971 -2.459 1.00 0.00 C ATOM 936 O ASN A 137 -3.298 4.790 -2.677 1.00 0.00 O ATOM 937 CB ASN A 137 -2.548 8.184 -3.317 1.00 0.00 C ATOM 938 CG ASN A 137 -3.388 7.833 -4.542 1.00 0.00 C ATOM 939 OD1 ASN A 137 -2.928 7.151 -5.433 1.00 0.00 O ATOM 940 ND2 ASN A 137 -4.605 8.292 -4.631 1.00 0.00 N ATOM 0 H ASN A 137 -1.286 5.511 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.116 7.300 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.063 8.939 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.601 8.620 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.172 8.078 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.990 8.865 -3.880 1.00 0.00 H new ATOM 947 N TYR A 138 -4.660 6.424 -2.185 1.00 0.00 N ATOM 948 CA TYR A 138 -5.806 5.470 -2.140 1.00 0.00 C ATOM 949 C TYR A 138 -6.159 4.942 -3.537 1.00 0.00 C ATOM 950 O TYR A 138 -6.396 3.766 -3.714 1.00 0.00 O ATOM 951 CB TYR A 138 -7.023 6.162 -1.540 1.00 0.00 C ATOM 952 CG TYR A 138 -8.183 5.207 -1.572 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.091 4.003 -0.874 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.336 5.512 -2.300 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.154 3.095 -0.898 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.404 4.606 -2.327 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.312 3.396 -1.625 1.00 0.00 C ATOM 958 OH TYR A 138 -11.362 2.502 -1.650 1.00 0.00 O ATOM 0 H TYR A 138 -4.889 7.399 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.511 4.622 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.816 6.471 -0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.261 7.065 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.197 3.772 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.404 6.444 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.082 2.163 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.297 4.839 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.088 2.865 -2.199 1.00 0.00 H new ATOM 968 N GLU A 139 -6.226 5.792 -4.519 1.00 0.00 N ATOM 969 CA GLU A 139 -6.594 5.321 -5.888 1.00 0.00 C ATOM 970 C GLU A 139 -5.563 4.311 -6.408 1.00 0.00 C ATOM 971 O GLU A 139 -5.915 3.264 -6.914 1.00 0.00 O ATOM 972 CB GLU A 139 -6.662 6.521 -6.837 1.00 0.00 C ATOM 973 CG GLU A 139 -7.814 6.325 -7.825 1.00 0.00 C ATOM 974 CD GLU A 139 -7.342 6.680 -9.236 1.00 0.00 C ATOM 975 OE1 GLU A 139 -6.361 7.396 -9.349 1.00 0.00 O ATOM 976 OE2 GLU A 139 -7.971 6.230 -10.180 1.00 0.00 O ATOM 0 H GLU A 139 -6.043 6.792 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.566 4.831 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.808 7.440 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.720 6.626 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.161 5.292 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.659 6.953 -7.544 1.00 0.00 H new ATOM 983 N GLU A 140 -4.297 4.611 -6.300 1.00 0.00 N ATOM 984 CA GLU A 140 -3.267 3.654 -6.804 1.00 0.00 C ATOM 985 C GLU A 140 -3.221 2.420 -5.901 1.00 0.00 C ATOM 986 O GLU A 140 -3.023 1.312 -6.358 1.00 0.00 O ATOM 987 CB GLU A 140 -1.891 4.323 -6.810 1.00 0.00 C ATOM 988 CG GLU A 140 -2.000 5.727 -7.404 1.00 0.00 C ATOM 989 CD GLU A 140 -1.349 5.752 -8.784 1.00 0.00 C ATOM 990 OE1 GLU A 140 -2.036 5.450 -9.746 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.173 6.075 -8.855 1.00 0.00 O ATOM 0 H GLU A 140 -3.932 5.470 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.530 3.356 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.499 4.377 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.189 3.726 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.047 6.020 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.513 6.449 -6.748 1.00 0.00 H new ATOM 998 N PHE A 141 -3.398 2.601 -4.623 1.00 0.00 N ATOM 999 CA PHE A 141 -3.361 1.439 -3.694 1.00 0.00 C ATOM 1000 C PHE A 141 -4.566 0.546 -3.962 1.00 0.00 C ATOM 1001 O PHE A 141 -4.531 -0.640 -3.724 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.411 1.945 -2.251 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.787 0.817 -1.313 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.135 0.474 -1.132 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.790 0.124 -0.617 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.483 -0.561 -0.256 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.138 -0.911 0.258 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.484 -1.253 0.440 1.00 0.00 C ATOM 0 H PHE A 141 -3.567 3.505 -4.181 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.444 0.871 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.441 2.355 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.136 2.754 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.905 1.009 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.752 0.388 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.521 -0.826 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.368 -1.447 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.752 -2.051 1.117 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.634 1.108 -4.446 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.842 0.287 -4.715 1.00 0.00 C ATOM 1020 C VAL A 142 -6.669 -0.466 -6.035 1.00 0.00 C ATOM 1021 O VAL A 142 -6.656 -1.678 -6.066 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.067 1.198 -4.802 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.277 0.381 -5.253 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.348 1.806 -3.427 1.00 0.00 C ATOM 0 H VAL A 142 -5.723 2.100 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 142 -6.979 -0.431 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.877 1.995 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.151 1.029 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.078 -0.054 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.467 -0.416 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.221 2.456 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.538 1.009 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.485 2.388 -3.103 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.543 0.244 -7.121 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.384 -0.425 -8.448 1.00 0.00 C ATOM 1036 C GLN A 143 -5.478 -1.656 -8.330 1.00 0.00 C ATOM 1037 O GLN A 143 -5.669 -2.640 -9.016 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.780 0.556 -9.447 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.904 1.313 -10.161 1.00 0.00 C ATOM 1040 CD GLN A 143 -7.589 0.387 -11.170 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -8.670 -0.108 -10.922 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.999 0.128 -12.305 1.00 0.00 N ATOM 0 H GLN A 143 -6.543 1.264 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.367 -0.746 -8.794 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.124 1.258 -8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.168 0.021 -10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.631 1.676 -9.434 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.500 2.187 -10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.091 0.543 -12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.446 -0.490 -12.983 1.00 0.00 H new ATOM 1051 N MET A 144 -4.486 -1.613 -7.481 1.00 0.00 N ATOM 1052 CA MET A 144 -3.574 -2.789 -7.349 1.00 0.00 C ATOM 1053 C MET A 144 -4.088 -3.753 -6.273 1.00 0.00 C ATOM 1054 O MET A 144 -4.112 -4.952 -6.464 1.00 0.00 O ATOM 1055 CB MET A 144 -2.174 -2.310 -6.971 1.00 0.00 C ATOM 1056 CG MET A 144 -1.582 -1.532 -8.144 1.00 0.00 C ATOM 1057 SD MET A 144 -1.025 -2.688 -9.419 1.00 0.00 S ATOM 1058 CE MET A 144 -2.185 -2.170 -10.708 1.00 0.00 C ATOM 0 H MET A 144 -4.268 -0.821 -6.877 1.00 0.00 H new ATOM 0 HA MET A 144 -3.542 -3.313 -8.304 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.219 -1.678 -6.084 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.539 -3.161 -6.724 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.328 -0.852 -8.556 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.747 -0.920 -7.803 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.130 -2.864 -11.547 1.00 0.00 H new ATOM 0 HE2 MET A 144 -3.198 -2.167 -10.306 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.926 -1.167 -11.049 1.00 0.00 H new ATOM 1068 N MET A 145 -4.480 -3.243 -5.137 1.00 0.00 N ATOM 1069 CA MET A 145 -4.968 -4.135 -4.047 1.00 0.00 C ATOM 1070 C MET A 145 -6.341 -4.715 -4.401 1.00 0.00 C ATOM 1071 O MET A 145 -6.910 -5.481 -3.647 1.00 0.00 O ATOM 1072 CB MET A 145 -5.070 -3.343 -2.741 1.00 0.00 C ATOM 1073 CG MET A 145 -3.705 -3.336 -2.049 1.00 0.00 C ATOM 1074 SD MET A 145 -2.521 -2.413 -3.058 1.00 0.00 S ATOM 1075 CE MET A 145 -1.016 -2.998 -2.240 1.00 0.00 C ATOM 0 H MET A 145 -4.483 -2.247 -4.917 1.00 0.00 H new ATOM 0 HA MET A 145 -4.261 -4.955 -3.926 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.393 -2.322 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 145 -5.820 -3.790 -2.088 1.00 0.00 H new ATOM 0 HG2 MET A 145 -3.789 -2.882 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 145 -3.355 -4.358 -1.902 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.145 -2.544 -2.713 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.043 -2.720 -1.186 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.953 -4.083 -2.327 1.00 0.00 H new ATOM 1085 N THR A 146 -6.878 -4.364 -5.536 1.00 0.00 N ATOM 1086 CA THR A 146 -8.215 -4.906 -5.921 1.00 0.00 C ATOM 1087 C THR A 146 -8.132 -5.580 -7.299 1.00 0.00 C ATOM 1088 O THR A 146 -7.887 -6.765 -7.403 1.00 0.00 O ATOM 1089 CB THR A 146 -9.241 -3.770 -5.962 1.00 0.00 C ATOM 1090 OG1 THR A 146 -8.673 -2.638 -6.603 1.00 0.00 O ATOM 1091 CG2 THR A 146 -9.647 -3.398 -4.535 1.00 0.00 C ATOM 0 H THR A 146 -6.453 -3.729 -6.212 1.00 0.00 H new ATOM 0 HA THR A 146 -8.525 -5.645 -5.182 1.00 0.00 H new ATOM 0 HB THR A 146 -10.120 -4.097 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 146 -7.782 -2.465 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.377 -2.589 -4.564 1.00 0.00 H new ATOM 0 HG22 THR A 146 -10.086 -4.266 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.767 -3.073 -3.979 1.00 0.00 H new ATOM 1099 N ALA A 147 -8.346 -4.840 -8.355 1.00 0.00 N ATOM 1100 CA ALA A 147 -8.290 -5.448 -9.717 1.00 0.00 C ATOM 1101 C ALA A 147 -6.842 -5.506 -10.211 1.00 0.00 C ATOM 1102 O ALA A 147 -5.916 -5.175 -9.497 1.00 0.00 O ATOM 1103 CB ALA A 147 -9.124 -4.600 -10.683 1.00 0.00 C ATOM 0 H ALA A 147 -8.557 -3.842 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 147 -8.690 -6.461 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -9.086 -5.040 -11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -10.158 -4.568 -10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -8.722 -3.587 -10.718 1.00 0.00 H new ATOM 1109 N LYS A 148 -6.643 -5.930 -11.430 1.00 0.00 N ATOM 1110 CA LYS A 148 -5.260 -6.017 -11.984 1.00 0.00 C ATOM 1111 C LYS A 148 -4.459 -7.063 -11.207 1.00 0.00 C ATOM 1112 O LYS A 148 -4.528 -7.053 -9.990 1.00 0.00 O ATOM 1113 CB LYS A 148 -4.569 -4.657 -11.866 1.00 0.00 C ATOM 1114 CG LYS A 148 -4.442 -4.037 -13.257 1.00 0.00 C ATOM 1115 CD LYS A 148 -5.821 -3.975 -13.914 1.00 0.00 C ATOM 1116 CE LYS A 148 -5.763 -3.053 -15.132 1.00 0.00 C ATOM 1117 NZ LYS A 148 -7.034 -3.161 -15.904 1.00 0.00 N ATOM 1118 OXT LYS A 148 -3.787 -7.857 -11.846 1.00 0.00 O ATOM 0 H LYS A 148 -7.382 -6.221 -12.069 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.313 -6.306 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -5.142 -4.000 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -3.583 -4.774 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.017 -3.036 -13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -3.761 -4.628 -13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -6.138 -4.974 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.559 -3.608 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.606 -2.023 -14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.918 -3.323 -15.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.992 -2.533 -16.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -7.165 -4.143 -16.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.833 -2.883 -15.299 1.00 0.00 H new TER 1132 LYS A 148