USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 860 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 24 THR OG1 : rot -114:sc= 0.666 USER MOD Set 1.2: A 27 ASN : amide:sc= -7.3! C(o=-6.6!,f=-18!) USER MOD Set 1.3: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 HIS : no HE2:sc= -5.9! C(o=-7.1!,f=-7.6!) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.16 K(o=-7.1,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.105 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 1.15 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 49:sc= 0.264 USER MOD Single : A 16 ASN : amide:sc= -0.085 K(o=-0.085,f=-1.6!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.0057) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.3!) USER MOD Single : A 34 GLN : amide:sc=-0.00635 X(o=-0.0063,f=-0.32) USER MOD Single : A 35 TYR OH : rot 0:sc= -1.56 USER MOD Single : A 37 GLN : amide:sc= -0.0572 K(o=-0.057,f=-0.86) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00675 X(o=-0.0067,f=0) USER MOD Single : A 45 TYR OH : rot 90:sc= -1.43 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -3.92! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.7! X(o=-2.7!,f=-2.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -137:sc= -5.2 (180deg=-7.34!) USER MOD Single : A 63 THR OG1 : rot -90:sc= 0.221 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= -0.224 (180deg=-0.558) USER MOD Single : A 68 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.008) USER MOD Single : A 78 HIS : no HE2:sc= -0.0554 K(o=-0.055,f=-0.65) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00896 X(o=-0.009,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.5!) USER MOD Single : A 88 SER OG : rot -139:sc= 0.221 USER MOD Single : A 89 CYS SG : rot 60:sc= -4.82 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.654 F(o=-1.7!,f=-0.65) USER MOD Single : A 98 TYR OH : rot 69:sc= 0.967 USER MOD Single : A 99 HIS : no HE2:sc= -4.35! C(o=-4.3!,f=-7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 55:sc= 1.19 USER MOD Single : A 112 SER OG : rot 22:sc= 0.0323 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.346 -12.106 -9.625 1.00 0.00 N ATOM 2 CA GLY A 1 -42.036 -11.941 -9.020 1.00 0.00 C ATOM 3 C GLY A 1 -40.954 -11.778 -10.090 1.00 0.00 C ATOM 4 O GLY A 1 -41.221 -11.949 -11.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.947 -11.294 -9.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.246 -12.161 -10.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.784 -12.981 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.041 -11.069 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.808 -12.805 -8.396 1.00 0.00 H new ATOM 8 N SER A 2 -39.756 -11.449 -9.630 1.00 0.00 N ATOM 9 CA SER A 2 -38.633 -11.261 -10.533 1.00 0.00 C ATOM 10 C SER A 2 -37.328 -11.194 -9.737 1.00 0.00 C ATOM 11 O SER A 2 -36.972 -10.142 -9.208 1.00 0.00 O ATOM 12 CB SER A 2 -38.808 -9.995 -11.373 1.00 0.00 C ATOM 13 OG SER A 2 -37.583 -9.577 -11.969 1.00 0.00 O ATOM 0 H SER A 2 -39.538 -11.308 -8.644 1.00 0.00 H new ATOM 0 HA SER A 2 -38.594 -12.112 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.547 -10.177 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.198 -9.194 -10.745 1.00 0.00 H new ATOM 0 HG SER A 2 -37.737 -8.767 -12.498 1.00 0.00 H new ATOM 19 N SER A 3 -36.649 -12.331 -9.678 1.00 0.00 N ATOM 20 CA SER A 3 -35.391 -12.415 -8.956 1.00 0.00 C ATOM 21 C SER A 3 -35.592 -11.983 -7.503 1.00 0.00 C ATOM 22 O SER A 3 -36.632 -11.425 -7.155 1.00 0.00 O ATOM 23 CB SER A 3 -34.316 -11.553 -9.622 1.00 0.00 C ATOM 24 OG SER A 3 -34.406 -10.187 -9.228 1.00 0.00 O ATOM 0 H SER A 3 -36.947 -13.201 -10.119 1.00 0.00 H new ATOM 0 HA SER A 3 -35.053 -13.451 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.330 -11.940 -9.364 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.414 -11.625 -10.705 1.00 0.00 H new ATOM 0 HG SER A 3 -35.309 -9.852 -9.411 1.00 0.00 H new ATOM 30 N GLY A 4 -34.580 -12.257 -6.692 1.00 0.00 N ATOM 31 CA GLY A 4 -34.633 -11.904 -5.283 1.00 0.00 C ATOM 32 C GLY A 4 -33.530 -12.615 -4.498 1.00 0.00 C ATOM 33 O GLY A 4 -32.362 -12.571 -4.882 1.00 0.00 O ATOM 0 H GLY A 4 -33.719 -12.719 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.527 -10.825 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.607 -12.173 -4.873 1.00 0.00 H new ATOM 37 N SER A 5 -33.939 -13.255 -3.412 1.00 0.00 N ATOM 38 CA SER A 5 -33.000 -13.975 -2.569 1.00 0.00 C ATOM 39 C SER A 5 -31.983 -13.002 -1.968 1.00 0.00 C ATOM 40 O SER A 5 -31.309 -12.275 -2.696 1.00 0.00 O ATOM 41 CB SER A 5 -32.281 -15.072 -3.357 1.00 0.00 C ATOM 42 OG SER A 5 -33.105 -16.219 -3.547 1.00 0.00 O ATOM 0 H SER A 5 -34.908 -13.290 -3.097 1.00 0.00 H new ATOM 0 HA SER A 5 -33.560 -14.450 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.975 -14.680 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.372 -15.362 -2.829 1.00 0.00 H new ATOM 0 HG SER A 5 -32.611 -16.896 -4.055 1.00 0.00 H new ATOM 48 N SER A 6 -31.906 -13.019 -0.645 1.00 0.00 N ATOM 49 CA SER A 6 -30.984 -12.147 0.062 1.00 0.00 C ATOM 50 C SER A 6 -30.013 -12.982 0.900 1.00 0.00 C ATOM 51 O SER A 6 -30.383 -14.033 1.421 1.00 0.00 O ATOM 52 CB SER A 6 -31.736 -11.156 0.952 1.00 0.00 C ATOM 53 OG SER A 6 -32.223 -11.769 2.142 1.00 0.00 O ATOM 0 H SER A 6 -32.467 -13.623 -0.045 1.00 0.00 H new ATOM 0 HA SER A 6 -30.420 -11.576 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.074 -10.330 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.571 -10.731 0.396 1.00 0.00 H new ATOM 0 HG SER A 6 -32.695 -11.103 2.683 1.00 0.00 H new ATOM 59 N GLY A 7 -28.790 -12.482 1.003 1.00 0.00 N ATOM 60 CA GLY A 7 -27.764 -13.169 1.769 1.00 0.00 C ATOM 61 C GLY A 7 -27.483 -14.556 1.188 1.00 0.00 C ATOM 62 O GLY A 7 -28.266 -15.484 1.383 1.00 0.00 O ATOM 0 H GLY A 7 -28.487 -11.610 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.848 -12.578 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.082 -13.263 2.807 1.00 0.00 H new ATOM 66 N LEU A 8 -26.363 -14.654 0.487 1.00 0.00 N ATOM 67 CA LEU A 8 -25.969 -15.913 -0.123 1.00 0.00 C ATOM 68 C LEU A 8 -24.690 -16.420 0.546 1.00 0.00 C ATOM 69 O LEU A 8 -23.673 -16.613 -0.118 1.00 0.00 O ATOM 70 CB LEU A 8 -25.851 -15.759 -1.640 1.00 0.00 C ATOM 71 CG LEU A 8 -27.168 -15.610 -2.405 1.00 0.00 C ATOM 72 CD1 LEU A 8 -26.925 -15.068 -3.815 1.00 0.00 C ATOM 73 CD2 LEU A 8 -27.944 -16.928 -2.423 1.00 0.00 C ATOM 0 H LEU A 8 -25.716 -13.882 0.328 1.00 0.00 H new ATOM 0 HA LEU A 8 -26.735 -16.671 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -25.232 -14.887 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -25.322 -16.627 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 8 -27.786 -14.880 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.877 -14.972 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -26.446 -14.091 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -26.279 -15.754 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -28.876 -16.794 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -27.343 -17.697 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -28.167 -17.233 -1.401 1.00 0.00 H new ATOM 85 N GLU A 9 -24.783 -16.621 1.852 1.00 0.00 N ATOM 86 CA GLU A 9 -23.646 -17.102 2.618 1.00 0.00 C ATOM 87 C GLU A 9 -22.358 -16.431 2.135 1.00 0.00 C ATOM 88 O GLU A 9 -21.383 -17.109 1.815 1.00 0.00 O ATOM 89 CB GLU A 9 -23.534 -18.626 2.535 1.00 0.00 C ATOM 90 CG GLU A 9 -23.362 -19.085 1.086 1.00 0.00 C ATOM 91 CD GLU A 9 -23.168 -20.601 1.011 1.00 0.00 C ATOM 92 OE1 GLU A 9 -24.193 -21.310 1.107 1.00 0.00 O ATOM 93 OE2 GLU A 9 -21.999 -21.017 0.858 1.00 0.00 O ATOM 0 H GLU A 9 -25.628 -16.459 2.399 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.800 -16.838 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.686 -18.965 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.427 -19.084 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.237 -18.797 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.503 -18.582 0.641 1.00 0.00 H new ATOM 100 N SER A 10 -22.397 -15.107 2.098 1.00 0.00 N ATOM 101 CA SER A 10 -21.246 -14.337 1.659 1.00 0.00 C ATOM 102 C SER A 10 -20.021 -14.700 2.503 1.00 0.00 C ATOM 103 O SER A 10 -19.742 -14.051 3.509 1.00 0.00 O ATOM 104 CB SER A 10 -21.523 -12.835 1.745 1.00 0.00 C ATOM 105 OG SER A 10 -22.036 -12.459 3.020 1.00 0.00 O ATOM 0 H SER A 10 -23.208 -14.548 2.365 1.00 0.00 H new ATOM 0 HA SER A 10 -21.047 -14.583 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.603 -12.285 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.236 -12.553 0.970 1.00 0.00 H new ATOM 0 HG SER A 10 -21.474 -12.843 3.725 1.00 0.00 H new ATOM 111 N GLU A 11 -19.324 -15.736 2.061 1.00 0.00 N ATOM 112 CA GLU A 11 -18.136 -16.193 2.762 1.00 0.00 C ATOM 113 C GLU A 11 -17.005 -16.466 1.769 1.00 0.00 C ATOM 114 O GLU A 11 -17.217 -17.111 0.743 1.00 0.00 O ATOM 115 CB GLU A 11 -18.440 -17.435 3.602 1.00 0.00 C ATOM 116 CG GLU A 11 -18.836 -17.049 5.029 1.00 0.00 C ATOM 117 CD GLU A 11 -19.645 -18.164 5.694 1.00 0.00 C ATOM 118 OE1 GLU A 11 -20.859 -18.236 5.401 1.00 0.00 O ATOM 119 OE2 GLU A 11 -19.033 -18.919 6.480 1.00 0.00 O ATOM 0 H GLU A 11 -19.559 -16.272 1.226 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.813 -15.404 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.246 -18.004 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.565 -18.085 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.941 -16.845 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.422 -16.130 5.012 1.00 0.00 H new ATOM 126 N GLU A 12 -15.828 -15.961 2.108 1.00 0.00 N ATOM 127 CA GLU A 12 -14.663 -16.142 1.259 1.00 0.00 C ATOM 128 C GLU A 12 -13.440 -16.500 2.105 1.00 0.00 C ATOM 129 O GLU A 12 -12.749 -15.617 2.609 1.00 0.00 O ATOM 130 CB GLU A 12 -14.400 -14.893 0.416 1.00 0.00 C ATOM 131 CG GLU A 12 -13.886 -15.268 -0.975 1.00 0.00 C ATOM 132 CD GLU A 12 -12.624 -16.128 -0.880 1.00 0.00 C ATOM 133 OE1 GLU A 12 -11.619 -15.603 -0.354 1.00 0.00 O ATOM 134 OE2 GLU A 12 -12.692 -17.289 -1.336 1.00 0.00 O ATOM 0 H GLU A 12 -15.656 -15.426 2.959 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.861 -16.967 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.318 -14.312 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.670 -14.258 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.660 -15.810 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.672 -14.363 -1.544 1.00 0.00 H new ATOM 141 N VAL A 13 -13.210 -17.799 2.235 1.00 0.00 N ATOM 142 CA VAL A 13 -12.082 -18.285 3.012 1.00 0.00 C ATOM 143 C VAL A 13 -11.315 -19.324 2.192 1.00 0.00 C ATOM 144 O VAL A 13 -11.897 -20.017 1.359 1.00 0.00 O ATOM 145 CB VAL A 13 -12.568 -18.825 4.358 1.00 0.00 C ATOM 146 CG1 VAL A 13 -11.468 -19.627 5.056 1.00 0.00 C ATOM 147 CG2 VAL A 13 -13.073 -17.692 5.254 1.00 0.00 C ATOM 0 H VAL A 13 -13.785 -18.529 1.815 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.391 -17.472 3.234 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.404 -19.498 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.839 -20.000 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.176 -20.468 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.604 -18.986 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.413 -18.104 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.265 -16.983 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.902 -17.182 4.763 1.00 0.00 H new ATOM 157 N ASP A 14 -10.019 -19.401 2.458 1.00 0.00 N ATOM 158 CA ASP A 14 -9.165 -20.344 1.755 1.00 0.00 C ATOM 159 C ASP A 14 -7.993 -20.735 2.658 1.00 0.00 C ATOM 160 O ASP A 14 -6.967 -20.057 2.678 1.00 0.00 O ATOM 161 CB ASP A 14 -8.593 -19.724 0.479 1.00 0.00 C ATOM 162 CG ASP A 14 -9.350 -20.070 -0.804 1.00 0.00 C ATOM 163 OD1 ASP A 14 -9.738 -21.251 -0.934 1.00 0.00 O ATOM 164 OD2 ASP A 14 -9.526 -19.145 -1.626 1.00 0.00 O ATOM 0 H ASP A 14 -9.540 -18.826 3.151 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.767 -21.214 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.580 -18.640 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.557 -20.045 0.370 1.00 0.00 H new ATOM 169 N LEU A 15 -8.185 -21.827 3.383 1.00 0.00 N ATOM 170 CA LEU A 15 -7.157 -22.316 4.285 1.00 0.00 C ATOM 171 C LEU A 15 -6.709 -21.179 5.206 1.00 0.00 C ATOM 172 O LEU A 15 -7.317 -20.110 5.219 1.00 0.00 O ATOM 173 CB LEU A 15 -6.013 -22.957 3.497 1.00 0.00 C ATOM 174 CG LEU A 15 -6.075 -24.478 3.340 1.00 0.00 C ATOM 175 CD1 LEU A 15 -6.047 -25.171 4.704 1.00 0.00 C ATOM 176 CD2 LEU A 15 -7.291 -24.894 2.510 1.00 0.00 C ATOM 0 H LEU A 15 -9.037 -22.387 3.364 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.554 -23.105 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.988 -22.510 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.073 -22.700 3.986 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.188 -24.802 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.092 -26.251 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.126 -24.911 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.903 -24.846 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.312 -25.980 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.202 -24.556 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.227 -24.443 1.520 1.00 0.00 H new ATOM 188 N ASN A 16 -5.649 -21.449 5.953 1.00 0.00 N ATOM 189 CA ASN A 16 -5.112 -20.461 6.874 1.00 0.00 C ATOM 190 C ASN A 16 -4.476 -19.320 6.078 1.00 0.00 C ATOM 191 O ASN A 16 -4.335 -18.208 6.585 1.00 0.00 O ATOM 192 CB ASN A 16 -4.033 -21.073 7.770 1.00 0.00 C ATOM 193 CG ASN A 16 -4.657 -21.904 8.892 1.00 0.00 C ATOM 194 OD1 ASN A 16 -5.849 -21.857 9.145 1.00 0.00 O ATOM 195 ND2 ASN A 16 -3.787 -22.667 9.548 1.00 0.00 N ATOM 0 H ASN A 16 -5.147 -22.337 5.940 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.931 -20.097 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.372 -21.701 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.419 -20.281 8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.105 -23.260 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.802 -22.659 9.285 1.00 0.00 H new ATOM 202 N ALA A 17 -4.109 -19.635 4.845 1.00 0.00 N ATOM 203 CA ALA A 17 -3.491 -18.649 3.974 1.00 0.00 C ATOM 204 C ALA A 17 -4.322 -17.365 3.994 1.00 0.00 C ATOM 205 O ALA A 17 -3.793 -16.284 4.250 1.00 0.00 O ATOM 206 CB ALA A 17 -3.350 -19.230 2.565 1.00 0.00 C ATOM 0 H ALA A 17 -4.227 -20.558 4.428 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.490 -18.399 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.887 -18.491 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.727 -20.124 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.335 -19.489 2.178 1.00 0.00 H new ATOM 212 N GLY A 18 -5.608 -17.525 3.721 1.00 0.00 N ATOM 213 CA GLY A 18 -6.517 -16.392 3.704 1.00 0.00 C ATOM 214 C GLY A 18 -6.325 -15.517 4.945 1.00 0.00 C ATOM 215 O GLY A 18 -6.031 -14.328 4.831 1.00 0.00 O ATOM 0 H GLY A 18 -6.043 -18.423 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.347 -15.798 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.546 -16.748 3.661 1.00 0.00 H new ATOM 219 N LEU A 19 -6.499 -16.140 6.101 1.00 0.00 N ATOM 220 CA LEU A 19 -6.348 -15.433 7.362 1.00 0.00 C ATOM 221 C LEU A 19 -5.148 -14.489 7.272 1.00 0.00 C ATOM 222 O LEU A 19 -5.293 -13.278 7.436 1.00 0.00 O ATOM 223 CB LEU A 19 -6.265 -16.424 8.525 1.00 0.00 C ATOM 224 CG LEU A 19 -7.554 -17.178 8.857 1.00 0.00 C ATOM 225 CD1 LEU A 19 -7.258 -18.436 9.677 1.00 0.00 C ATOM 226 CD2 LEU A 19 -8.561 -16.262 9.556 1.00 0.00 C ATOM 0 H LEU A 19 -6.743 -17.126 6.191 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.225 -14.816 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.488 -17.154 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.945 -15.883 9.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.010 -17.503 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.191 -18.953 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.604 -19.096 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.767 -18.156 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.468 -16.823 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.128 -15.886 10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.805 -15.424 8.903 1.00 0.00 H new ATOM 238 N HIS A 20 -3.990 -15.078 7.012 1.00 0.00 N ATOM 239 CA HIS A 20 -2.766 -14.303 6.899 1.00 0.00 C ATOM 240 C HIS A 20 -3.036 -13.032 6.092 1.00 0.00 C ATOM 241 O HIS A 20 -2.713 -11.931 6.535 1.00 0.00 O ATOM 242 CB HIS A 20 -1.639 -15.153 6.308 1.00 0.00 C ATOM 243 CG HIS A 20 -1.083 -16.184 7.260 1.00 0.00 C ATOM 244 ND1 HIS A 20 0.274 -16.363 7.462 1.00 0.00 N ATOM 245 CD2 HIS A 20 -1.714 -17.088 8.063 1.00 0.00 C ATOM 246 CE1 HIS A 20 0.441 -17.334 8.348 1.00 0.00 C ATOM 247 NE2 HIS A 20 -0.793 -17.782 8.719 1.00 0.00 N ATOM 0 H HIS A 20 -3.873 -16.082 6.876 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.431 -13.997 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.009 -15.659 5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.831 -14.495 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.783 -17.217 8.150 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.387 -17.705 8.712 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.977 -18.528 9.390 1.00 0.00 H new ATOM 255 N GLY A 21 -3.626 -13.226 4.922 1.00 0.00 N ATOM 256 CA GLY A 21 -3.943 -12.108 4.049 1.00 0.00 C ATOM 257 C GLY A 21 -2.804 -11.844 3.061 1.00 0.00 C ATOM 258 O GLY A 21 -1.812 -11.205 3.409 1.00 0.00 O ATOM 0 H GLY A 21 -3.893 -14.141 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.862 -12.318 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.125 -11.215 4.647 1.00 0.00 H new ATOM 262 N ASN A 22 -2.985 -12.349 1.850 1.00 0.00 N ATOM 263 CA ASN A 22 -1.986 -12.175 0.809 1.00 0.00 C ATOM 264 C ASN A 22 -2.149 -10.791 0.177 1.00 0.00 C ATOM 265 O ASN A 22 -2.492 -10.679 -0.999 1.00 0.00 O ATOM 266 CB ASN A 22 -2.152 -13.221 -0.294 1.00 0.00 C ATOM 267 CG ASN A 22 -1.247 -14.429 -0.045 1.00 0.00 C ATOM 268 OD1 ASN A 22 -1.655 -15.443 0.498 1.00 0.00 O ATOM 269 ND2 ASN A 22 0.003 -14.266 -0.471 1.00 0.00 N ATOM 0 H ASN A 22 -3.809 -12.879 1.566 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.002 -12.285 1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.192 -13.545 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.914 -12.777 -1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.685 -15.015 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.280 -13.392 -0.918 1.00 0.00 H new ATOM 276 N TRP A 23 -1.897 -9.773 0.986 1.00 0.00 N ATOM 277 CA TRP A 23 -2.011 -8.401 0.521 1.00 0.00 C ATOM 278 C TRP A 23 -0.602 -7.811 0.437 1.00 0.00 C ATOM 279 O TRP A 23 -0.003 -7.477 1.458 1.00 0.00 O ATOM 280 CB TRP A 23 -2.946 -7.592 1.423 1.00 0.00 C ATOM 281 CG TRP A 23 -4.432 -7.820 1.143 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.384 -8.206 2.004 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.103 -7.660 -0.125 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.614 -8.306 1.386 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.438 -7.963 0.050 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.599 -7.271 -1.378 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.379 -7.909 -0.985 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.552 -7.222 -2.403 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.899 -7.525 -2.243 1.00 0.00 C ATOM 0 H TRP A 23 -1.614 -9.871 1.961 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.462 -8.366 -0.471 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.740 -7.845 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.723 -6.532 1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.210 -8.413 3.050 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.491 -8.581 1.828 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.559 -7.029 -1.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.419 -8.150 -0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.217 -6.928 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.572 -7.465 -3.085 1.00 0.00 H new ATOM 300 N THR A 24 -0.114 -7.700 -0.790 1.00 0.00 N ATOM 301 CA THR A 24 1.214 -7.156 -1.020 1.00 0.00 C ATOM 302 C THR A 24 1.118 -5.734 -1.577 1.00 0.00 C ATOM 303 O THR A 24 0.107 -5.363 -2.172 1.00 0.00 O ATOM 304 CB THR A 24 1.966 -8.119 -1.940 1.00 0.00 C ATOM 305 OG1 THR A 24 1.428 -7.857 -3.233 1.00 0.00 O ATOM 306 CG2 THR A 24 1.607 -9.582 -1.676 1.00 0.00 C ATOM 0 H THR A 24 -0.614 -7.977 -1.635 1.00 0.00 H new ATOM 0 HA THR A 24 1.773 -7.070 -0.088 1.00 0.00 H new ATOM 0 HB THR A 24 3.039 -7.980 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.937 -8.644 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.168 -10.223 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.857 -9.838 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.539 -9.729 -1.837 1.00 0.00 H new ATOM 314 N LEU A 25 2.184 -4.976 -1.364 1.00 0.00 N ATOM 315 CA LEU A 25 2.233 -3.603 -1.838 1.00 0.00 C ATOM 316 C LEU A 25 1.553 -3.515 -3.206 1.00 0.00 C ATOM 317 O LEU A 25 0.684 -2.671 -3.418 1.00 0.00 O ATOM 318 CB LEU A 25 3.672 -3.085 -1.832 1.00 0.00 C ATOM 319 CG LEU A 25 4.130 -2.391 -0.548 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.596 -1.964 -0.648 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.213 -1.216 -0.202 1.00 0.00 C ATOM 0 H LEU A 25 3.020 -5.287 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 25 1.680 -2.948 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.340 -3.924 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.789 -2.386 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 25 4.058 -3.107 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.896 -1.473 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.220 -2.842 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.717 -1.272 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.561 -0.740 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.228 -0.491 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.195 -1.579 -0.059 1.00 0.00 H new ATOM 333 N GLU A 26 1.974 -4.399 -4.098 1.00 0.00 N ATOM 334 CA GLU A 26 1.417 -4.432 -5.439 1.00 0.00 C ATOM 335 C GLU A 26 -0.099 -4.634 -5.380 1.00 0.00 C ATOM 336 O GLU A 26 -0.860 -3.777 -5.826 1.00 0.00 O ATOM 337 CB GLU A 26 2.082 -5.521 -6.283 1.00 0.00 C ATOM 338 CG GLU A 26 2.496 -4.978 -7.652 1.00 0.00 C ATOM 339 CD GLU A 26 1.869 -5.800 -8.780 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.621 -5.822 -8.841 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.653 -6.388 -9.557 1.00 0.00 O ATOM 0 H GLU A 26 2.695 -5.098 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 26 1.618 -3.474 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.958 -5.907 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.394 -6.357 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.189 -3.936 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.582 -4.999 -7.742 1.00 0.00 H new ATOM 348 N ASN A 27 -0.491 -5.772 -4.825 1.00 0.00 N ATOM 349 CA ASN A 27 -1.901 -6.097 -4.702 1.00 0.00 C ATOM 350 C ASN A 27 -2.642 -4.908 -4.086 1.00 0.00 C ATOM 351 O ASN A 27 -3.526 -4.328 -4.715 1.00 0.00 O ATOM 352 CB ASN A 27 -2.110 -7.308 -3.790 1.00 0.00 C ATOM 353 CG ASN A 27 -1.286 -8.504 -4.271 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.573 -9.143 -3.515 1.00 0.00 O ATOM 355 ND2 ASN A 27 -1.422 -8.769 -5.567 1.00 0.00 N ATOM 0 H ASN A 27 0.144 -6.480 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.282 -6.325 -5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.826 -7.053 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.167 -7.574 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.912 -9.548 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.036 -8.194 -6.143 1.00 0.00 H new ATOM 362 N ALA A 28 -2.255 -4.580 -2.862 1.00 0.00 N ATOM 363 CA ALA A 28 -2.871 -3.471 -2.153 1.00 0.00 C ATOM 364 C ALA A 28 -3.175 -2.345 -3.144 1.00 0.00 C ATOM 365 O ALA A 28 -4.332 -1.973 -3.330 1.00 0.00 O ATOM 366 CB ALA A 28 -1.952 -3.017 -1.018 1.00 0.00 C ATOM 0 H ALA A 28 -1.522 -5.063 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.815 -3.779 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.414 -2.185 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.791 -3.845 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.995 -2.697 -1.430 1.00 0.00 H new ATOM 372 N LYS A 29 -2.115 -1.835 -3.753 1.00 0.00 N ATOM 373 CA LYS A 29 -2.254 -0.759 -4.720 1.00 0.00 C ATOM 374 C LYS A 29 -3.481 -1.020 -5.595 1.00 0.00 C ATOM 375 O LYS A 29 -4.503 -0.350 -5.453 1.00 0.00 O ATOM 376 CB LYS A 29 -0.958 -0.582 -5.514 1.00 0.00 C ATOM 377 CG LYS A 29 -1.193 0.270 -6.764 1.00 0.00 C ATOM 378 CD LYS A 29 0.020 1.153 -7.061 1.00 0.00 C ATOM 379 CE LYS A 29 -0.374 2.631 -7.095 1.00 0.00 C ATOM 380 NZ LYS A 29 0.122 3.272 -8.334 1.00 0.00 N ATOM 0 H LYS A 29 -1.157 -2.147 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.422 0.191 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.203 -0.110 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.568 -1.558 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.394 -0.378 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.076 0.894 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.785 0.994 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.457 0.867 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.458 2.726 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.036 3.143 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.154 4.275 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.159 3.198 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.290 2.794 -9.161 1.00 0.00 H new ATOM 394 N ALA A 30 -3.340 -1.995 -6.480 1.00 0.00 N ATOM 395 CA ALA A 30 -4.425 -2.353 -7.378 1.00 0.00 C ATOM 396 C ALA A 30 -5.732 -2.432 -6.587 1.00 0.00 C ATOM 397 O ALA A 30 -6.666 -1.674 -6.846 1.00 0.00 O ATOM 398 CB ALA A 30 -4.091 -3.669 -8.084 1.00 0.00 C ATOM 0 H ALA A 30 -2.491 -2.549 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.551 -1.592 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.905 -3.937 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.171 -3.552 -8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.959 -4.457 -7.342 1.00 0.00 H new ATOM 404 N ARG A 31 -5.757 -3.355 -5.637 1.00 0.00 N ATOM 405 CA ARG A 31 -6.933 -3.542 -4.805 1.00 0.00 C ATOM 406 C ARG A 31 -7.606 -2.196 -4.527 1.00 0.00 C ATOM 407 O ARG A 31 -8.736 -1.963 -4.954 1.00 0.00 O ATOM 408 CB ARG A 31 -6.569 -4.207 -3.476 1.00 0.00 C ATOM 409 CG ARG A 31 -7.807 -4.388 -2.596 1.00 0.00 C ATOM 410 CD ARG A 31 -8.937 -5.069 -3.372 1.00 0.00 C ATOM 411 NE ARG A 31 -9.943 -5.609 -2.431 1.00 0.00 N ATOM 412 CZ ARG A 31 -10.966 -6.395 -2.794 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.124 -6.737 -4.080 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.831 -6.839 -1.872 1.00 0.00 N ATOM 0 H ARG A 31 -4.981 -3.982 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.621 -4.192 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.108 -5.176 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.831 -3.600 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.551 -4.985 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.144 -3.417 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.406 -4.355 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.534 -5.873 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.852 -5.368 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.466 -6.399 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.902 -7.335 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.711 -6.579 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.609 -7.437 -2.149 1.00 0.00 H new ATOM 428 N LEU A 32 -6.883 -1.347 -3.812 1.00 0.00 N ATOM 429 CA LEU A 32 -7.396 -0.030 -3.471 1.00 0.00 C ATOM 430 C LEU A 32 -8.159 0.541 -4.669 1.00 0.00 C ATOM 431 O LEU A 32 -9.351 0.827 -4.570 1.00 0.00 O ATOM 432 CB LEU A 32 -6.266 0.873 -2.975 1.00 0.00 C ATOM 433 CG LEU A 32 -6.668 1.968 -1.985 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.444 1.382 -0.804 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.447 2.770 -1.528 1.00 0.00 C ATOM 0 H LEU A 32 -5.947 -1.545 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.104 -0.099 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.507 0.247 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.799 1.346 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.336 2.662 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.717 2.182 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.347 0.893 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.821 0.654 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.761 3.542 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.735 2.103 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.974 3.237 -2.392 1.00 0.00 H new ATOM 447 N ASN A 33 -7.440 0.689 -5.772 1.00 0.00 N ATOM 448 CA ASN A 33 -8.034 1.220 -6.986 1.00 0.00 C ATOM 449 C ASN A 33 -9.353 0.496 -7.263 1.00 0.00 C ATOM 450 O ASN A 33 -10.354 1.128 -7.596 1.00 0.00 O ATOM 451 CB ASN A 33 -7.114 1.003 -8.190 1.00 0.00 C ATOM 452 CG ASN A 33 -6.723 2.337 -8.828 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.832 3.396 -8.232 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.263 2.228 -10.071 1.00 0.00 N ATOM 0 H ASN A 33 -6.451 0.450 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.195 2.288 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.217 0.469 -7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.616 0.376 -8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.976 3.062 -10.584 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.197 1.311 -10.512 1.00 0.00 H new ATOM 461 N GLN A 34 -9.312 -0.820 -7.114 1.00 0.00 N ATOM 462 CA GLN A 34 -10.491 -1.636 -7.344 1.00 0.00 C ATOM 463 C GLN A 34 -11.624 -1.208 -6.408 1.00 0.00 C ATOM 464 O GLN A 34 -12.729 -0.912 -6.860 1.00 0.00 O ATOM 465 CB GLN A 34 -10.171 -3.123 -7.172 1.00 0.00 C ATOM 466 CG GLN A 34 -10.136 -3.836 -8.526 1.00 0.00 C ATOM 467 CD GLN A 34 -11.552 -4.134 -9.025 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.205 -3.311 -9.645 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.987 -5.353 -8.721 1.00 0.00 N ATOM 0 H GLN A 34 -8.480 -1.341 -6.837 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.818 -1.485 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.209 -3.236 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.920 -3.588 -6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.613 -3.216 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.575 -4.766 -8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.388 -5.993 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.920 -5.648 -9.010 1.00 0.00 H new ATOM 478 N TYR A 35 -11.310 -1.190 -5.121 1.00 0.00 N ATOM 479 CA TYR A 35 -12.287 -0.803 -4.118 1.00 0.00 C ATOM 480 C TYR A 35 -12.949 0.528 -4.482 1.00 0.00 C ATOM 481 O TYR A 35 -14.113 0.757 -4.154 1.00 0.00 O ATOM 482 CB TYR A 35 -11.507 -0.630 -2.813 1.00 0.00 C ATOM 483 CG TYR A 35 -12.294 0.073 -1.706 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.355 -0.568 -1.099 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.942 1.349 -1.313 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.096 0.094 -0.057 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.683 2.011 -0.270 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.723 1.351 0.306 1.00 0.00 C ATOM 489 OH TYR A 35 -14.423 1.976 1.291 1.00 0.00 O ATOM 0 H TYR A 35 -10.393 -1.437 -4.750 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.073 -1.554 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.195 -1.611 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.600 -0.061 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.629 -1.566 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.111 1.851 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.929 -0.396 0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.419 3.009 0.047 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.137 1.386 1.610 1.00 0.00 H new ATOM 499 N PHE A 36 -12.179 1.371 -5.155 1.00 0.00 N ATOM 500 CA PHE A 36 -12.677 2.672 -5.567 1.00 0.00 C ATOM 501 C PHE A 36 -13.467 2.569 -6.873 1.00 0.00 C ATOM 502 O PHE A 36 -14.286 3.435 -7.177 1.00 0.00 O ATOM 503 CB PHE A 36 -11.456 3.566 -5.793 1.00 0.00 C ATOM 504 CG PHE A 36 -10.657 3.861 -4.522 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.278 3.863 -3.312 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.324 4.122 -4.602 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.537 4.136 -2.133 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.582 4.396 -3.422 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.204 4.397 -2.213 1.00 0.00 C ATOM 0 H PHE A 36 -11.214 1.178 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.342 3.075 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.799 3.089 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.785 4.509 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.336 3.657 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.830 4.121 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.031 4.137 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.524 4.603 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.640 4.605 -1.316 1.00 0.00 H new ATOM 519 N GLN A 37 -13.194 1.502 -7.610 1.00 0.00 N ATOM 520 CA GLN A 37 -13.869 1.274 -8.876 1.00 0.00 C ATOM 521 C GLN A 37 -15.215 0.584 -8.643 1.00 0.00 C ATOM 522 O GLN A 37 -16.185 0.854 -9.349 1.00 0.00 O ATOM 523 CB GLN A 37 -12.991 0.458 -9.826 1.00 0.00 C ATOM 524 CG GLN A 37 -12.042 1.366 -10.612 1.00 0.00 C ATOM 525 CD GLN A 37 -11.835 0.841 -12.034 1.00 0.00 C ATOM 526 OE1 GLN A 37 -12.039 -0.325 -12.330 1.00 0.00 O ATOM 527 NE2 GLN A 37 -11.417 1.765 -12.896 1.00 0.00 N ATOM 0 H GLN A 37 -12.514 0.786 -7.354 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.055 2.240 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.414 -0.272 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.620 -0.102 -10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.447 2.377 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.082 1.426 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.266 2.724 -12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.248 1.514 -13.870 1.00 0.00 H new ATOM 536 N LYS A 38 -15.229 -0.294 -7.651 1.00 0.00 N ATOM 537 CA LYS A 38 -16.439 -1.025 -7.317 1.00 0.00 C ATOM 538 C LYS A 38 -17.419 -0.086 -6.610 1.00 0.00 C ATOM 539 O LYS A 38 -18.544 0.103 -7.068 1.00 0.00 O ATOM 540 CB LYS A 38 -16.101 -2.281 -6.511 1.00 0.00 C ATOM 541 CG LYS A 38 -16.086 -3.520 -7.407 1.00 0.00 C ATOM 542 CD LYS A 38 -17.467 -3.777 -8.013 1.00 0.00 C ATOM 543 CE LYS A 38 -17.666 -5.263 -8.317 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.814 -5.799 -7.553 1.00 0.00 N ATOM 0 H LYS A 38 -14.422 -0.515 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.932 -1.378 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.128 -2.161 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.832 -2.413 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.354 -3.388 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.772 -4.388 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.239 -3.437 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.580 -3.197 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.835 -5.402 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.762 -5.817 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.935 -6.809 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.638 -5.683 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.677 -5.282 -7.816 1.00 0.00 H new ATOM 558 N GLU A 39 -16.954 0.478 -5.504 1.00 0.00 N ATOM 559 CA GLU A 39 -17.775 1.394 -4.730 1.00 0.00 C ATOM 560 C GLU A 39 -17.985 2.699 -5.499 1.00 0.00 C ATOM 561 O GLU A 39 -18.862 3.491 -5.157 1.00 0.00 O ATOM 562 CB GLU A 39 -17.153 1.660 -3.357 1.00 0.00 C ATOM 563 CG GLU A 39 -17.645 0.642 -2.326 1.00 0.00 C ATOM 564 CD GLU A 39 -18.456 1.327 -1.224 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.674 1.502 -1.441 1.00 0.00 O ATOM 566 OE2 GLU A 39 -17.839 1.660 -0.189 1.00 0.00 O ATOM 0 H GLU A 39 -16.020 0.318 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.748 0.931 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.067 1.612 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.406 2.668 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.258 -0.112 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.793 0.123 -1.887 1.00 0.00 H new ATOM 573 N LYS A 40 -17.165 2.884 -6.523 1.00 0.00 N ATOM 574 CA LYS A 40 -17.251 4.080 -7.344 1.00 0.00 C ATOM 575 C LYS A 40 -16.689 5.270 -6.563 1.00 0.00 C ATOM 576 O LYS A 40 -17.043 6.417 -6.833 1.00 0.00 O ATOM 577 CB LYS A 40 -18.683 4.289 -7.839 1.00 0.00 C ATOM 578 CG LYS A 40 -18.786 4.035 -9.344 1.00 0.00 C ATOM 579 CD LYS A 40 -18.196 5.201 -10.139 1.00 0.00 C ATOM 580 CE LYS A 40 -19.289 5.954 -10.900 1.00 0.00 C ATOM 581 NZ LYS A 40 -18.823 6.311 -12.258 1.00 0.00 N ATOM 0 H LYS A 40 -16.438 2.226 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.642 3.971 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.357 3.618 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.004 5.306 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.260 3.114 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.830 3.893 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.682 5.884 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.451 4.827 -10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.185 5.337 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.564 6.857 -10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.577 6.821 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.981 6.918 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.583 5.445 -12.781 1.00 0.00 H new ATOM 595 N ILE A 41 -15.824 4.956 -5.610 1.00 0.00 N ATOM 596 CA ILE A 41 -15.210 5.986 -4.788 1.00 0.00 C ATOM 597 C ILE A 41 -14.030 6.600 -5.544 1.00 0.00 C ATOM 598 O ILE A 41 -13.555 6.033 -6.527 1.00 0.00 O ATOM 599 CB ILE A 41 -14.835 5.423 -3.416 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.079 4.961 -2.654 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.015 6.434 -2.614 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.746 3.804 -1.710 1.00 0.00 C ATOM 0 H ILE A 41 -15.534 4.004 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.918 6.791 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.206 4.546 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.490 5.794 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.848 4.649 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.762 6.009 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.100 6.672 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.598 7.344 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.648 3.495 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.358 2.964 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.995 4.127 -0.989 1.00 0.00 H new ATOM 614 N GLN A 42 -13.591 7.751 -5.057 1.00 0.00 N ATOM 615 CA GLN A 42 -12.475 8.448 -5.674 1.00 0.00 C ATOM 616 C GLN A 42 -11.443 8.841 -4.615 1.00 0.00 C ATOM 617 O GLN A 42 -11.789 9.444 -3.600 1.00 0.00 O ATOM 618 CB GLN A 42 -12.958 9.675 -6.451 1.00 0.00 C ATOM 619 CG GLN A 42 -13.989 10.465 -5.642 1.00 0.00 C ATOM 620 CD GLN A 42 -14.437 11.717 -6.400 1.00 0.00 C ATOM 621 OE1 GLN A 42 -13.702 12.678 -6.551 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.681 11.650 -6.866 1.00 0.00 N ATOM 0 H GLN A 42 -13.988 8.219 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.998 7.773 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.109 10.316 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.397 9.361 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.853 9.834 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.561 10.751 -4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.242 10.814 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.074 12.435 -7.386 1.00 0.00 H new ATOM 631 N GLY A 43 -10.197 8.482 -4.887 1.00 0.00 N ATOM 632 CA GLY A 43 -9.113 8.789 -3.970 1.00 0.00 C ATOM 633 C GLY A 43 -7.780 8.897 -4.714 1.00 0.00 C ATOM 634 O GLY A 43 -7.372 7.962 -5.402 1.00 0.00 O ATOM 0 H GLY A 43 -9.914 7.981 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.323 9.726 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.046 8.013 -3.207 1.00 0.00 H new ATOM 638 N GLU A 44 -7.139 10.044 -4.550 1.00 0.00 N ATOM 639 CA GLU A 44 -5.860 10.286 -5.198 1.00 0.00 C ATOM 640 C GLU A 44 -4.732 10.272 -4.165 1.00 0.00 C ATOM 641 O GLU A 44 -4.980 10.393 -2.967 1.00 0.00 O ATOM 642 CB GLU A 44 -5.879 11.606 -5.972 1.00 0.00 C ATOM 643 CG GLU A 44 -5.847 12.802 -5.018 1.00 0.00 C ATOM 644 CD GLU A 44 -5.562 14.100 -5.776 1.00 0.00 C ATOM 645 OE1 GLU A 44 -6.341 14.396 -6.707 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.572 14.767 -5.406 1.00 0.00 O ATOM 0 H GLU A 44 -7.480 10.816 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.680 9.485 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.022 11.650 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.774 11.655 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.801 12.882 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.082 12.645 -4.258 1.00 0.00 H new ATOM 653 N TYR A 45 -3.515 10.123 -4.668 1.00 0.00 N ATOM 654 CA TYR A 45 -2.347 10.092 -3.804 1.00 0.00 C ATOM 655 C TYR A 45 -1.617 11.436 -3.820 1.00 0.00 C ATOM 656 O TYR A 45 -1.336 11.982 -4.886 1.00 0.00 O ATOM 657 CB TYR A 45 -1.424 9.017 -4.381 1.00 0.00 C ATOM 658 CG TYR A 45 -1.948 7.590 -4.210 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.836 7.066 -5.128 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.533 6.826 -3.138 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.329 5.722 -4.967 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.026 5.483 -2.977 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.899 4.997 -3.900 1.00 0.00 C ATOM 664 OH TYR A 45 -3.365 3.728 -3.747 1.00 0.00 O ATOM 0 H TYR A 45 -3.313 10.022 -5.663 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.637 9.885 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.274 9.213 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.448 9.095 -3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.161 7.664 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.838 7.236 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.024 5.300 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.710 4.875 -2.142 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.771 3.103 -4.213 1.00 0.00 H new ATOM 674 N LYS A 46 -1.329 11.932 -2.625 1.00 0.00 N ATOM 675 CA LYS A 46 -0.637 13.202 -2.489 1.00 0.00 C ATOM 676 C LYS A 46 0.865 12.947 -2.344 1.00 0.00 C ATOM 677 O LYS A 46 1.330 12.541 -1.280 1.00 0.00 O ATOM 678 CB LYS A 46 -1.235 14.017 -1.340 1.00 0.00 C ATOM 679 CG LYS A 46 -1.764 15.363 -1.840 1.00 0.00 C ATOM 680 CD LYS A 46 -1.434 16.483 -0.852 1.00 0.00 C ATOM 681 CE LYS A 46 -1.431 17.846 -1.548 1.00 0.00 C ATOM 682 NZ LYS A 46 -2.528 18.694 -1.031 1.00 0.00 N ATOM 0 H LYS A 46 -1.563 11.477 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.773 13.808 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.044 13.455 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.478 14.182 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.327 15.591 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.843 15.304 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.164 16.486 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.459 16.299 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.474 18.341 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.543 17.712 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.512 19.615 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.440 18.227 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.404 18.837 -0.008 1.00 0.00 H new ATOM 696 N TYR A 47 1.582 13.195 -3.431 1.00 0.00 N ATOM 697 CA TYR A 47 3.021 12.997 -3.439 1.00 0.00 C ATOM 698 C TYR A 47 3.752 14.273 -3.019 1.00 0.00 C ATOM 699 O TYR A 47 3.646 15.302 -3.685 1.00 0.00 O ATOM 700 CB TYR A 47 3.393 12.662 -4.885 1.00 0.00 C ATOM 701 CG TYR A 47 2.958 11.265 -5.332 1.00 0.00 C ATOM 702 CD1 TYR A 47 2.309 10.428 -4.447 1.00 0.00 C ATOM 703 CD2 TYR A 47 3.215 10.842 -6.620 1.00 0.00 C ATOM 704 CE1 TYR A 47 1.900 9.113 -4.868 1.00 0.00 C ATOM 705 CE2 TYR A 47 2.806 9.527 -7.041 1.00 0.00 C ATOM 706 CZ TYR A 47 2.168 8.728 -6.144 1.00 0.00 C ATOM 707 OH TYR A 47 1.782 7.486 -6.542 1.00 0.00 O ATOM 0 H TYR A 47 1.193 13.531 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 47 3.304 12.208 -2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.941 13.401 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.473 12.749 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.108 10.759 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.723 11.497 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.392 8.448 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.001 9.183 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 47 2.038 7.348 -7.478 1.00 0.00 H new ATOM 717 N THR A 48 4.479 14.165 -1.916 1.00 0.00 N ATOM 718 CA THR A 48 5.228 15.298 -1.399 1.00 0.00 C ATOM 719 C THR A 48 6.727 15.093 -1.624 1.00 0.00 C ATOM 720 O THR A 48 7.360 14.299 -0.929 1.00 0.00 O ATOM 721 CB THR A 48 4.853 15.481 0.073 1.00 0.00 C ATOM 722 OG1 THR A 48 3.589 16.137 0.030 1.00 0.00 O ATOM 723 CG2 THR A 48 5.766 16.477 0.790 1.00 0.00 C ATOM 0 H THR A 48 4.565 13.310 -1.366 1.00 0.00 H new ATOM 0 HA THR A 48 4.974 16.216 -1.930 1.00 0.00 H new ATOM 0 HB THR A 48 4.897 14.518 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.270 16.293 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.457 16.570 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.796 16.122 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.697 17.450 0.303 1.00 0.00 H new ATOM 731 N GLN A 49 7.253 15.823 -2.597 1.00 0.00 N ATOM 732 CA GLN A 49 8.666 15.731 -2.921 1.00 0.00 C ATOM 733 C GLN A 49 9.500 16.474 -1.876 1.00 0.00 C ATOM 734 O GLN A 49 9.138 17.571 -1.453 1.00 0.00 O ATOM 735 CB GLN A 49 8.942 16.270 -4.327 1.00 0.00 C ATOM 736 CG GLN A 49 10.418 16.110 -4.695 1.00 0.00 C ATOM 737 CD GLN A 49 10.727 16.790 -6.031 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.160 17.812 -6.382 1.00 0.00 O ATOM 739 NE2 GLN A 49 11.654 16.168 -6.753 1.00 0.00 N ATOM 0 H GLN A 49 6.726 16.481 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 49 8.954 14.680 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.323 15.740 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.663 17.322 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.041 16.541 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.669 15.051 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.089 15.316 -6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.930 16.543 -7.660 1.00 0.00 H new ATOM 748 N VAL A 50 10.601 15.847 -1.489 1.00 0.00 N ATOM 749 CA VAL A 50 11.490 16.435 -0.501 1.00 0.00 C ATOM 750 C VAL A 50 12.901 15.878 -0.695 1.00 0.00 C ATOM 751 O VAL A 50 13.103 14.944 -1.470 1.00 0.00 O ATOM 752 CB VAL A 50 10.940 16.194 0.906 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.672 17.016 1.148 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.682 14.706 1.147 1.00 0.00 C ATOM 0 H VAL A 50 10.898 14.937 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 50 11.547 17.516 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 50 11.694 16.523 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.302 16.826 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.899 18.076 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.910 16.732 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.292 14.563 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.956 14.340 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.615 14.153 1.037 1.00 0.00 H new ATOM 764 N GLY A 51 13.842 16.475 0.022 1.00 0.00 N ATOM 765 CA GLY A 51 15.229 16.049 -0.061 1.00 0.00 C ATOM 766 C GLY A 51 15.907 16.632 -1.303 1.00 0.00 C ATOM 767 O GLY A 51 15.256 17.268 -2.130 1.00 0.00 O ATOM 0 H GLY A 51 13.671 17.250 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.765 16.366 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.278 14.961 -0.092 1.00 0.00 H new ATOM 771 N PRO A 52 17.242 16.387 -1.397 1.00 0.00 N ATOM 772 CA PRO A 52 18.015 16.880 -2.524 1.00 0.00 C ATOM 773 C PRO A 52 17.740 16.053 -3.782 1.00 0.00 C ATOM 774 O PRO A 52 17.488 14.852 -3.697 1.00 0.00 O ATOM 775 CB PRO A 52 19.464 16.805 -2.070 1.00 0.00 C ATOM 776 CG PRO A 52 19.482 15.845 -0.892 1.00 0.00 C ATOM 777 CD PRO A 52 18.046 15.637 -0.437 1.00 0.00 C ATOM 0 HA PRO A 52 17.750 17.900 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 52 20.107 16.448 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.833 17.788 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.932 14.895 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.085 16.250 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.780 14.580 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.895 16.004 0.578 1.00 0.00 H new ATOM 785 N ASP A 53 17.797 16.730 -4.920 1.00 0.00 N ATOM 786 CA ASP A 53 17.556 16.073 -6.193 1.00 0.00 C ATOM 787 C ASP A 53 18.285 14.728 -6.214 1.00 0.00 C ATOM 788 O ASP A 53 17.681 13.695 -6.498 1.00 0.00 O ATOM 789 CB ASP A 53 18.085 16.915 -7.356 1.00 0.00 C ATOM 790 CG ASP A 53 18.261 16.160 -8.675 1.00 0.00 C ATOM 791 OD1 ASP A 53 17.332 15.398 -9.020 1.00 0.00 O ATOM 792 OD2 ASP A 53 19.320 16.361 -9.307 1.00 0.00 O ATOM 0 H ASP A 53 18.006 17.726 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 53 16.480 15.939 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.403 17.749 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 53 19.046 17.341 -7.068 1.00 0.00 H new ATOM 797 N HIS A 54 19.574 14.784 -5.910 1.00 0.00 N ATOM 798 CA HIS A 54 20.391 13.584 -5.890 1.00 0.00 C ATOM 799 C HIS A 54 19.639 12.462 -5.171 1.00 0.00 C ATOM 800 O HIS A 54 19.723 11.301 -5.566 1.00 0.00 O ATOM 801 CB HIS A 54 21.762 13.869 -5.272 1.00 0.00 C ATOM 802 CG HIS A 54 21.865 13.502 -3.811 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.020 14.445 -2.810 1.00 0.00 N ATOM 804 CD2 HIS A 54 21.834 12.287 -3.193 1.00 0.00 C ATOM 805 CE1 HIS A 54 22.079 13.815 -1.647 1.00 0.00 C ATOM 806 NE2 HIS A 54 21.964 12.477 -1.886 1.00 0.00 N ATOM 0 H HIS A 54 20.072 15.643 -5.676 1.00 0.00 H new ATOM 0 HA HIS A 54 20.579 13.252 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.521 13.320 -5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.988 14.929 -5.387 1.00 0.00 H new ATOM 0 HD1 HIS A 54 22.079 15.454 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.723 11.332 -3.684 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.197 14.279 -0.679 1.00 0.00 H new ATOM 814 N ASN A 55 18.921 12.850 -4.127 1.00 0.00 N ATOM 815 CA ASN A 55 18.154 11.892 -3.349 1.00 0.00 C ATOM 816 C ASN A 55 16.844 12.539 -2.898 1.00 0.00 C ATOM 817 O ASN A 55 16.764 13.088 -1.800 1.00 0.00 O ATOM 818 CB ASN A 55 18.922 11.458 -2.098 1.00 0.00 C ATOM 819 CG ASN A 55 19.670 10.146 -2.341 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.417 9.423 -3.292 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.604 9.879 -1.433 1.00 0.00 N ATOM 0 H ASN A 55 18.854 13.815 -3.802 1.00 0.00 H new ATOM 0 HA ASN A 55 17.966 11.022 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 55 19.630 12.237 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.229 11.337 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 55 21.159 9.027 -1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.765 10.527 -0.662 1.00 0.00 H new ATOM 828 N ARG A 56 15.849 12.454 -3.768 1.00 0.00 N ATOM 829 CA ARG A 56 14.545 13.025 -3.474 1.00 0.00 C ATOM 830 C ARG A 56 13.615 11.956 -2.898 1.00 0.00 C ATOM 831 O ARG A 56 13.686 10.791 -3.287 1.00 0.00 O ATOM 832 CB ARG A 56 13.909 13.622 -4.730 1.00 0.00 C ATOM 833 CG ARG A 56 14.558 14.960 -5.091 1.00 0.00 C ATOM 834 CD ARG A 56 13.809 16.125 -4.442 1.00 0.00 C ATOM 835 NE ARG A 56 14.474 17.404 -4.778 1.00 0.00 N ATOM 836 CZ ARG A 56 14.216 18.568 -4.167 1.00 0.00 C ATOM 837 NH1 ARG A 56 13.306 18.622 -3.185 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.868 19.679 -4.538 1.00 0.00 N ATOM 0 H ARG A 56 15.919 11.998 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 56 14.689 13.819 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 56 14.016 12.926 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.840 13.764 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.598 14.964 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.564 15.085 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.775 16.141 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.781 15.993 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 56 15.172 17.399 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.810 17.777 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.110 19.508 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.561 19.638 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.671 20.565 -4.073 1.00 0.00 H new ATOM 852 N SER A 57 12.764 12.389 -1.980 1.00 0.00 N ATOM 853 CA SER A 57 11.820 11.483 -1.347 1.00 0.00 C ATOM 854 C SER A 57 10.394 12.010 -1.517 1.00 0.00 C ATOM 855 O SER A 57 10.028 13.023 -0.922 1.00 0.00 O ATOM 856 CB SER A 57 12.145 11.299 0.137 1.00 0.00 C ATOM 857 OG SER A 57 13.244 12.109 0.548 1.00 0.00 O ATOM 0 H SER A 57 12.708 13.356 -1.659 1.00 0.00 H new ATOM 0 HA SER A 57 11.901 10.510 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.268 11.549 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.375 10.251 0.331 1.00 0.00 H new ATOM 0 HG SER A 57 13.419 11.964 1.501 1.00 0.00 H new ATOM 863 N PHE A 58 9.628 11.300 -2.331 1.00 0.00 N ATOM 864 CA PHE A 58 8.250 11.684 -2.587 1.00 0.00 C ATOM 865 C PHE A 58 7.301 11.014 -1.591 1.00 0.00 C ATOM 866 O PHE A 58 6.980 9.835 -1.731 1.00 0.00 O ATOM 867 CB PHE A 58 7.908 11.207 -4.000 1.00 0.00 C ATOM 868 CG PHE A 58 8.846 11.744 -5.083 1.00 0.00 C ATOM 869 CD1 PHE A 58 8.895 13.079 -5.338 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.629 10.887 -5.790 1.00 0.00 C ATOM 871 CE1 PHE A 58 9.766 13.578 -6.343 1.00 0.00 C ATOM 872 CE2 PHE A 58 10.500 11.386 -6.795 1.00 0.00 C ATOM 873 CZ PHE A 58 10.550 12.721 -7.050 1.00 0.00 C ATOM 0 H PHE A 58 9.935 10.461 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 58 8.139 12.763 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.933 10.117 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.887 11.507 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.272 13.759 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.589 9.827 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.806 14.638 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.123 10.705 -7.357 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.212 13.100 -7.814 1.00 0.00 H new ATOM 883 N ILE A 59 6.878 11.796 -0.609 1.00 0.00 N ATOM 884 CA ILE A 59 5.972 11.293 0.410 1.00 0.00 C ATOM 885 C ILE A 59 4.574 11.134 -0.191 1.00 0.00 C ATOM 886 O ILE A 59 3.892 12.123 -0.457 1.00 0.00 O ATOM 887 CB ILE A 59 6.010 12.189 1.650 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.196 11.832 2.548 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.681 12.134 2.407 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.783 13.083 3.205 1.00 0.00 C ATOM 0 H ILE A 59 7.146 12.774 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 59 6.289 10.306 0.748 1.00 0.00 H new ATOM 0 HB ILE A 59 6.152 13.219 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.876 11.129 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.965 11.331 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.735 12.779 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.876 12.474 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.484 11.109 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.624 12.801 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.125 13.773 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.019 13.568 3.812 1.00 0.00 H new ATOM 902 N ALA A 60 4.188 9.882 -0.387 1.00 0.00 N ATOM 903 CA ALA A 60 2.883 9.581 -0.951 1.00 0.00 C ATOM 904 C ALA A 60 1.885 9.338 0.183 1.00 0.00 C ATOM 905 O ALA A 60 1.979 8.338 0.893 1.00 0.00 O ATOM 906 CB ALA A 60 2.999 8.381 -1.893 1.00 0.00 C ATOM 0 H ALA A 60 4.756 9.064 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 60 2.515 10.423 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.020 8.155 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.697 8.616 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.363 7.516 -1.338 1.00 0.00 H new ATOM 912 N GLU A 61 0.953 10.270 0.318 1.00 0.00 N ATOM 913 CA GLU A 61 -0.061 10.169 1.353 1.00 0.00 C ATOM 914 C GLU A 61 -1.450 10.040 0.725 1.00 0.00 C ATOM 915 O GLU A 61 -1.710 10.603 -0.338 1.00 0.00 O ATOM 916 CB GLU A 61 0.003 11.368 2.301 1.00 0.00 C ATOM 917 CG GLU A 61 -0.338 12.667 1.567 1.00 0.00 C ATOM 918 CD GLU A 61 0.260 13.877 2.288 1.00 0.00 C ATOM 919 OE1 GLU A 61 0.003 13.996 3.505 1.00 0.00 O ATOM 920 OE2 GLU A 61 0.960 14.655 1.605 1.00 0.00 O ATOM 0 H GLU A 61 0.879 11.099 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 61 0.135 9.272 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.692 11.220 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.001 11.442 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.042 12.623 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.420 12.778 1.500 1.00 0.00 H new ATOM 927 N MET A 62 -2.307 9.297 1.409 1.00 0.00 N ATOM 928 CA MET A 62 -3.664 9.087 0.932 1.00 0.00 C ATOM 929 C MET A 62 -4.607 8.754 2.089 1.00 0.00 C ATOM 930 O MET A 62 -4.318 7.873 2.897 1.00 0.00 O ATOM 931 CB MET A 62 -3.676 7.942 -0.083 1.00 0.00 C ATOM 932 CG MET A 62 -5.109 7.535 -0.432 1.00 0.00 C ATOM 933 SD MET A 62 -5.100 6.361 -1.777 1.00 0.00 S ATOM 934 CE MET A 62 -5.732 7.390 -3.091 1.00 0.00 C ATOM 0 H MET A 62 -2.088 8.832 2.290 1.00 0.00 H new ATOM 0 HA MET A 62 -4.010 10.007 0.460 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.150 8.247 -0.988 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.139 7.085 0.324 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.594 7.097 0.440 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.688 8.415 -0.711 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.464 6.829 -3.672 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.207 8.273 -2.665 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.911 7.697 -3.740 1.00 0.00 H new ATOM 944 N THR A 63 -5.717 9.477 2.133 1.00 0.00 N ATOM 945 CA THR A 63 -6.705 9.269 3.178 1.00 0.00 C ATOM 946 C THR A 63 -8.051 8.874 2.568 1.00 0.00 C ATOM 947 O THR A 63 -8.475 9.447 1.565 1.00 0.00 O ATOM 948 CB THR A 63 -6.771 10.541 4.025 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.410 10.820 4.340 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.428 10.304 5.386 1.00 0.00 C ATOM 0 H THR A 63 -5.954 10.208 1.462 1.00 0.00 H new ATOM 0 HA THR A 63 -6.424 8.442 3.830 1.00 0.00 H new ATOM 0 HB THR A 63 -7.324 11.309 3.484 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.168 10.368 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.450 11.238 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.447 9.944 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.856 9.560 5.941 1.00 0.00 H new ATOM 958 N ILE A 64 -8.687 7.898 3.199 1.00 0.00 N ATOM 959 CA ILE A 64 -9.976 7.419 2.731 1.00 0.00 C ATOM 960 C ILE A 64 -10.913 7.238 3.927 1.00 0.00 C ATOM 961 O ILE A 64 -10.463 6.945 5.034 1.00 0.00 O ATOM 962 CB ILE A 64 -9.805 6.154 1.887 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.735 5.238 2.485 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.510 6.505 0.428 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.859 3.817 1.930 1.00 0.00 C ATOM 0 H ILE A 64 -8.333 7.426 4.031 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.438 8.154 2.071 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.745 5.603 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.745 5.635 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.833 5.218 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.393 5.588 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.335 7.088 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.591 7.089 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.087 3.186 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.842 3.415 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.737 3.837 0.847 1.00 0.00 H new ATOM 977 N TYR A 65 -12.199 7.420 3.665 1.00 0.00 N ATOM 978 CA TYR A 65 -13.202 7.281 4.706 1.00 0.00 C ATOM 979 C TYR A 65 -14.138 6.106 4.412 1.00 0.00 C ATOM 980 O TYR A 65 -14.541 5.900 3.268 1.00 0.00 O ATOM 981 CB TYR A 65 -14.012 8.579 4.688 1.00 0.00 C ATOM 982 CG TYR A 65 -15.277 8.535 5.547 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.395 7.863 5.094 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.302 9.167 6.773 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.586 7.822 5.902 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.493 9.125 7.581 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.576 8.455 7.106 1.00 0.00 C ATOM 988 OH TYR A 65 -18.702 8.416 7.869 1.00 0.00 O ATOM 0 H TYR A 65 -12.569 7.663 2.746 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.730 7.096 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.378 9.395 5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.291 8.807 3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.376 7.368 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.428 9.693 7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.468 7.300 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.525 9.615 8.543 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.550 8.909 8.702 1.00 0.00 H new ATOM 998 N ILE A 66 -14.456 5.367 5.464 1.00 0.00 N ATOM 999 CA ILE A 66 -15.337 4.218 5.333 1.00 0.00 C ATOM 1000 C ILE A 66 -16.651 4.503 6.064 1.00 0.00 C ATOM 1001 O ILE A 66 -16.655 4.737 7.271 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.632 2.946 5.807 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.209 2.868 5.251 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.452 1.702 5.458 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.219 2.816 3.722 1.00 0.00 C ATOM 0 H ILE A 66 -14.120 5.541 6.411 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.586 4.045 4.286 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.552 2.985 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.636 3.733 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.709 1.983 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.928 0.812 5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.427 1.762 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.585 1.645 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.195 2.761 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.772 1.936 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.698 3.714 3.331 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.734 4.472 5.301 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.051 4.723 5.862 1.00 0.00 C ATOM 1019 C LYS A 67 -19.534 3.472 6.599 1.00 0.00 C ATOM 1020 O LYS A 67 -20.171 3.572 7.646 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.012 5.206 4.774 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.015 4.249 3.580 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.579 4.967 2.301 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.508 4.622 1.135 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.114 3.334 0.522 1.00 0.00 N ATOM 0 H LYS A 67 -17.727 4.277 4.300 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.006 5.527 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.019 5.286 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.722 6.204 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.345 3.412 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.013 3.833 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.581 6.044 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.556 4.685 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.538 4.564 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.472 5.414 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.343 3.348 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.091 3.190 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.631 2.558 0.983 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.212 2.323 6.022 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.605 1.055 6.611 1.00 0.00 C ATOM 1041 C GLN A 68 -18.954 0.883 7.985 1.00 0.00 C ATOM 1042 O GLN A 68 -19.383 0.046 8.779 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.251 -0.112 5.687 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.738 -0.205 5.477 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.349 -1.564 4.891 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.246 -2.562 5.586 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.138 -1.548 3.578 1.00 0.00 N ATOM 0 H GLN A 68 -18.684 2.244 5.153 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.687 1.057 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.620 -1.044 6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.748 0.017 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.410 0.591 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.225 -0.054 6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.241 -0.678 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.873 -2.406 3.094 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.930 1.689 8.224 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.216 1.636 9.489 1.00 0.00 C ATOM 1058 C LEU A 69 -17.581 2.863 10.327 1.00 0.00 C ATOM 1059 O LEU A 69 -17.615 2.793 11.554 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.713 1.481 9.249 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.279 0.211 8.514 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.799 -0.087 8.762 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.173 -0.973 8.889 1.00 0.00 C ATOM 0 H LEU A 69 -17.578 2.382 7.564 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.517 0.758 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.365 2.343 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.206 1.510 10.214 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.399 0.378 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.516 -0.994 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.195 0.747 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.630 -0.226 9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.843 -1.863 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.109 -1.152 9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.205 -0.749 8.619 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.846 3.959 9.630 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.207 5.199 10.295 1.00 0.00 C ATOM 1077 C GLY A 70 -16.964 6.025 10.630 1.00 0.00 C ATOM 1078 O GLY A 70 -17.052 7.030 11.333 1.00 0.00 O ATOM 0 H GLY A 70 -17.818 4.013 8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.871 5.779 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.758 4.978 11.209 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.833 5.570 10.110 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.573 6.253 10.344 1.00 0.00 C ATOM 1084 C ARG A 71 -13.769 6.346 9.046 1.00 0.00 C ATOM 1085 O ARG A 71 -14.274 6.014 7.974 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.739 5.525 11.401 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.240 4.179 10.873 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.479 3.413 11.958 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.099 3.133 11.505 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.103 2.758 12.319 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.328 2.617 13.633 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.881 2.525 11.820 1.00 0.00 N ATOM 0 H ARG A 71 -15.764 4.736 9.527 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.803 7.255 10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.890 6.144 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.338 5.368 12.298 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.085 3.584 10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.590 4.340 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.457 3.996 12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.993 2.479 12.184 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.893 3.232 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.258 2.795 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.570 2.331 14.253 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.709 2.633 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.123 2.240 12.440 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.531 6.798 9.184 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.653 6.938 8.035 1.00 0.00 C ATOM 1108 C ARG A 72 -10.221 6.552 8.411 1.00 0.00 C ATOM 1109 O ARG A 72 -9.828 6.667 9.571 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.664 8.373 7.505 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.545 9.381 8.650 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.311 10.268 8.473 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.669 11.686 8.703 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.420 12.416 7.868 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.898 11.867 6.743 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.695 13.695 8.158 1.00 0.00 N ATOM 0 H ARG A 72 -12.115 7.072 10.074 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.020 6.271 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.840 8.513 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.586 8.553 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.441 10.001 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.483 8.851 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.531 9.964 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.906 10.145 7.469 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.322 12.135 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.690 10.893 6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.470 12.423 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.332 14.113 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.267 14.251 7.522 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.481 6.101 7.409 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.101 5.697 7.620 1.00 0.00 C ATOM 1132 C ILE A 73 -7.182 6.566 6.759 1.00 0.00 C ATOM 1133 O ILE A 73 -7.426 6.741 5.566 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.938 4.196 7.372 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.400 3.820 5.963 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.659 3.382 8.448 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.957 2.401 5.601 1.00 0.00 C ATOM 0 H ILE A 73 -9.811 6.006 6.448 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.812 5.858 8.658 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.878 3.951 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.486 3.893 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.991 4.528 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.528 2.318 8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.242 3.622 9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.722 3.625 8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.298 2.159 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.870 2.338 5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.387 1.694 6.310 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.145 7.088 7.397 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.189 7.934 6.704 1.00 0.00 C ATOM 1151 C PHE A 74 -3.841 7.226 6.550 1.00 0.00 C ATOM 1152 O PHE A 74 -3.497 6.357 7.349 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.998 9.188 7.560 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.638 9.865 7.377 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.523 9.311 7.924 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.545 11.022 6.668 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.261 9.940 7.754 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.283 11.651 6.498 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.168 11.096 7.044 1.00 0.00 C ATOM 0 H PHE A 74 -5.946 6.941 8.387 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.559 8.174 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.784 9.904 7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.121 8.921 8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.597 8.393 8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.431 11.462 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.375 9.500 8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.209 12.570 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.208 11.574 6.914 1.00 0.00 H new ATOM 1169 N ALA A 75 -3.115 7.625 5.516 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.812 7.039 5.246 1.00 0.00 C ATOM 1171 C ALA A 75 -0.849 8.137 4.791 1.00 0.00 C ATOM 1172 O ALA A 75 -1.278 9.179 4.297 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.958 5.925 4.209 1.00 0.00 C ATOM 0 H ALA A 75 -3.404 8.346 4.855 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.398 6.591 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.981 5.486 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.629 5.156 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.368 6.337 3.287 1.00 0.00 H new ATOM 1179 N ARG A 76 0.435 7.866 4.974 1.00 0.00 N ATOM 1180 CA ARG A 76 1.463 8.818 4.588 1.00 0.00 C ATOM 1181 C ARG A 76 2.852 8.206 4.779 1.00 0.00 C ATOM 1182 O ARG A 76 3.390 8.212 5.885 1.00 0.00 O ATOM 1183 CB ARG A 76 1.362 10.103 5.412 1.00 0.00 C ATOM 1184 CG ARG A 76 2.369 11.147 4.927 1.00 0.00 C ATOM 1185 CD ARG A 76 3.277 11.606 6.070 1.00 0.00 C ATOM 1186 NE ARG A 76 3.754 12.983 5.816 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.838 13.521 6.392 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.563 12.801 7.259 1.00 0.00 N ATOM 1189 NH2 ARG A 76 5.196 14.779 6.102 1.00 0.00 N ATOM 0 H ARG A 76 0.787 7.001 5.384 1.00 0.00 H new ATOM 0 HA ARG A 76 1.311 9.061 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.352 10.506 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.542 9.880 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.974 10.728 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.838 12.004 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.734 11.569 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.127 10.930 6.164 1.00 0.00 H new ATOM 0 HE ARG A 76 3.225 13.559 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.290 11.844 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.388 13.210 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.644 15.327 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.021 15.188 6.540 1.00 0.00 H new ATOM 1203 N GLU A 77 3.393 7.692 3.684 1.00 0.00 N ATOM 1204 CA GLU A 77 4.709 7.077 3.718 1.00 0.00 C ATOM 1205 C GLU A 77 5.718 7.942 2.958 1.00 0.00 C ATOM 1206 O GLU A 77 5.388 9.038 2.509 1.00 0.00 O ATOM 1207 CB GLU A 77 4.666 5.658 3.149 1.00 0.00 C ATOM 1208 CG GLU A 77 4.041 4.685 4.150 1.00 0.00 C ATOM 1209 CD GLU A 77 5.038 4.315 5.250 1.00 0.00 C ATOM 1210 OE1 GLU A 77 6.123 3.810 4.887 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.693 4.544 6.429 1.00 0.00 O ATOM 0 H GLU A 77 2.944 7.689 2.768 1.00 0.00 H new ATOM 0 HA GLU A 77 5.029 7.007 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.092 5.651 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.676 5.331 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.154 5.135 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.715 3.783 3.631 1.00 0.00 H new ATOM 1218 N HIS A 78 6.928 7.415 2.838 1.00 0.00 N ATOM 1219 CA HIS A 78 7.988 8.125 2.142 1.00 0.00 C ATOM 1220 C HIS A 78 8.784 7.142 1.281 1.00 0.00 C ATOM 1221 O HIS A 78 9.936 6.836 1.587 1.00 0.00 O ATOM 1222 CB HIS A 78 8.866 8.896 3.129 1.00 0.00 C ATOM 1223 CG HIS A 78 9.053 8.201 4.457 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.281 6.840 4.566 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.043 8.693 5.729 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.401 6.538 5.850 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.253 7.687 6.569 1.00 0.00 N ATOM 0 H HIS A 78 7.198 6.505 3.211 1.00 0.00 H new ATOM 0 HA HIS A 78 7.554 8.870 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.844 9.062 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.424 9.877 3.303 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.346 6.182 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.890 9.726 6.006 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.584 5.554 6.256 1.00 0.00 H new ATOM 1235 N GLY A 79 8.139 6.674 0.223 1.00 0.00 N ATOM 1236 CA GLY A 79 8.773 5.732 -0.684 1.00 0.00 C ATOM 1237 C GLY A 79 9.826 6.428 -1.549 1.00 0.00 C ATOM 1238 O GLY A 79 9.842 7.654 -1.649 1.00 0.00 O ATOM 0 H GLY A 79 7.184 6.929 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.239 4.929 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.019 5.272 -1.323 1.00 0.00 H new ATOM 1242 N SER A 80 10.682 5.615 -2.151 1.00 0.00 N ATOM 1243 CA SER A 80 11.736 6.136 -3.004 1.00 0.00 C ATOM 1244 C SER A 80 11.132 6.737 -4.275 1.00 0.00 C ATOM 1245 O SER A 80 11.301 7.925 -4.546 1.00 0.00 O ATOM 1246 CB SER A 80 12.746 5.044 -3.362 1.00 0.00 C ATOM 1247 OG SER A 80 13.945 5.156 -2.600 1.00 0.00 O ATOM 0 H SER A 80 10.667 4.599 -2.065 1.00 0.00 H new ATOM 0 HA SER A 80 12.264 6.916 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.298 4.065 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.984 5.104 -4.424 1.00 0.00 H new ATOM 0 HG SER A 80 14.564 4.440 -2.856 1.00 0.00 H new ATOM 1253 N ASN A 81 10.439 5.888 -5.021 1.00 0.00 N ATOM 1254 CA ASN A 81 9.809 6.320 -6.257 1.00 0.00 C ATOM 1255 C ASN A 81 8.305 6.482 -6.028 1.00 0.00 C ATOM 1256 O ASN A 81 7.733 5.832 -5.155 1.00 0.00 O ATOM 1257 CB ASN A 81 10.010 5.288 -7.368 1.00 0.00 C ATOM 1258 CG ASN A 81 11.488 4.927 -7.520 1.00 0.00 C ATOM 1259 OD1 ASN A 81 12.301 5.710 -7.983 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.791 3.699 -7.107 1.00 0.00 N ATOM 0 H ASN A 81 10.300 4.904 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 81 10.265 7.264 -6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.434 4.390 -7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.630 5.684 -8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.752 3.363 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.062 3.094 -6.729 1.00 0.00 H new ATOM 1267 N LYS A 82 7.708 7.354 -6.827 1.00 0.00 N ATOM 1268 CA LYS A 82 6.281 7.610 -6.723 1.00 0.00 C ATOM 1269 C LYS A 82 5.547 6.290 -6.478 1.00 0.00 C ATOM 1270 O LYS A 82 4.723 6.192 -5.570 1.00 0.00 O ATOM 1271 CB LYS A 82 5.782 8.372 -7.952 1.00 0.00 C ATOM 1272 CG LYS A 82 6.018 9.876 -7.797 1.00 0.00 C ATOM 1273 CD LYS A 82 5.512 10.639 -9.023 1.00 0.00 C ATOM 1274 CE LYS A 82 6.025 12.081 -9.021 1.00 0.00 C ATOM 1275 NZ LYS A 82 6.164 12.583 -10.406 1.00 0.00 N ATOM 0 H LYS A 82 8.186 7.892 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 82 6.071 8.255 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.295 8.009 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.719 8.180 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.509 10.238 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.082 10.068 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.840 10.134 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.422 10.637 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.337 12.717 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.987 12.130 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.513 13.563 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.838 11.985 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.239 12.554 -10.880 1.00 0.00 H new ATOM 1289 N LYS A 83 5.873 5.307 -7.305 1.00 0.00 N ATOM 1290 CA LYS A 83 5.255 3.997 -7.189 1.00 0.00 C ATOM 1291 C LYS A 83 5.354 3.516 -5.740 1.00 0.00 C ATOM 1292 O LYS A 83 4.357 3.497 -5.019 1.00 0.00 O ATOM 1293 CB LYS A 83 5.865 3.025 -8.202 1.00 0.00 C ATOM 1294 CG LYS A 83 4.881 2.724 -9.334 1.00 0.00 C ATOM 1295 CD LYS A 83 5.149 3.619 -10.546 1.00 0.00 C ATOM 1296 CE LYS A 83 3.977 3.576 -11.530 1.00 0.00 C ATOM 1297 NZ LYS A 83 4.465 3.700 -12.922 1.00 0.00 N ATOM 0 H LYS A 83 6.556 5.392 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 83 4.194 4.054 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.780 3.450 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.142 2.098 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.965 1.677 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.860 2.876 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.314 4.645 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.061 3.295 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.429 2.641 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.279 4.384 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.658 3.669 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.968 4.603 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.113 2.915 -13.134 1.00 0.00 H new ATOM 1311 N LEU A 84 6.565 3.140 -5.356 1.00 0.00 N ATOM 1312 CA LEU A 84 6.807 2.661 -4.006 1.00 0.00 C ATOM 1313 C LEU A 84 5.971 3.481 -3.021 1.00 0.00 C ATOM 1314 O LEU A 84 5.032 2.964 -2.418 1.00 0.00 O ATOM 1315 CB LEU A 84 8.305 2.668 -3.696 1.00 0.00 C ATOM 1316 CG LEU A 84 9.106 1.478 -4.228 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.603 1.666 -3.972 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.585 0.163 -3.645 1.00 0.00 C ATOM 0 H LEU A 84 7.389 3.157 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 84 6.489 1.623 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.736 3.582 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.432 2.711 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 84 8.968 1.428 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.149 0.806 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.947 2.571 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.780 1.755 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.171 -0.667 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.673 0.186 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.539 0.032 -3.921 1.00 0.00 H new ATOM 1330 N ALA A 85 6.343 4.746 -2.889 1.00 0.00 N ATOM 1331 CA ALA A 85 5.639 5.642 -1.988 1.00 0.00 C ATOM 1332 C ALA A 85 4.144 5.321 -2.021 1.00 0.00 C ATOM 1333 O ALA A 85 3.544 5.032 -0.987 1.00 0.00 O ATOM 1334 CB ALA A 85 5.933 7.092 -2.377 1.00 0.00 C ATOM 0 H ALA A 85 7.123 5.171 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 85 5.983 5.503 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.405 7.764 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.005 7.277 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.599 7.269 -3.399 1.00 0.00 H new ATOM 1340 N ALA A 86 3.584 5.383 -3.220 1.00 0.00 N ATOM 1341 CA ALA A 86 2.170 5.102 -3.402 1.00 0.00 C ATOM 1342 C ALA A 86 1.840 3.745 -2.778 1.00 0.00 C ATOM 1343 O ALA A 86 0.938 3.643 -1.947 1.00 0.00 O ATOM 1344 CB ALA A 86 1.825 5.159 -4.892 1.00 0.00 C ATOM 0 H ALA A 86 4.084 5.624 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 86 1.561 5.853 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.764 4.948 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.050 6.152 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.414 4.417 -5.431 1.00 0.00 H new ATOM 1350 N GLN A 87 2.587 2.737 -3.203 1.00 0.00 N ATOM 1351 CA GLN A 87 2.385 1.390 -2.697 1.00 0.00 C ATOM 1352 C GLN A 87 2.286 1.406 -1.170 1.00 0.00 C ATOM 1353 O GLN A 87 1.274 0.993 -0.606 1.00 0.00 O ATOM 1354 CB GLN A 87 3.502 0.455 -3.164 1.00 0.00 C ATOM 1355 CG GLN A 87 3.163 -0.170 -4.519 1.00 0.00 C ATOM 1356 CD GLN A 87 4.291 0.060 -5.526 1.00 0.00 C ATOM 1357 OE1 GLN A 87 4.387 1.096 -6.164 1.00 0.00 O ATOM 1358 NE2 GLN A 87 5.137 -0.961 -5.634 1.00 0.00 N ATOM 0 H GLN A 87 3.333 2.826 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 87 1.446 1.009 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.438 1.009 -3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.656 -0.331 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.992 -1.240 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.237 0.260 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.999 -1.800 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.924 -0.905 -6.281 1.00 0.00 H new ATOM 1367 N SER A 88 3.350 1.889 -0.545 1.00 0.00 N ATOM 1368 CA SER A 88 3.395 1.964 0.905 1.00 0.00 C ATOM 1369 C SER A 88 2.105 2.590 1.437 1.00 0.00 C ATOM 1370 O SER A 88 1.584 2.166 2.468 1.00 0.00 O ATOM 1371 CB SER A 88 4.609 2.768 1.377 1.00 0.00 C ATOM 1372 OG SER A 88 5.313 2.106 2.425 1.00 0.00 O ATOM 0 H SER A 88 4.187 2.232 -1.016 1.00 0.00 H new ATOM 0 HA SER A 88 3.488 0.951 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.283 2.935 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.282 3.749 1.723 1.00 0.00 H new ATOM 0 HG SER A 88 5.582 2.761 3.103 1.00 0.00 H new ATOM 1378 N CYS A 89 1.627 3.590 0.711 1.00 0.00 N ATOM 1379 CA CYS A 89 0.407 4.279 1.098 1.00 0.00 C ATOM 1380 C CYS A 89 -0.762 3.302 0.957 1.00 0.00 C ATOM 1381 O CYS A 89 -1.446 3.002 1.934 1.00 0.00 O ATOM 1382 CB CYS A 89 0.190 5.550 0.274 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.677 6.808 1.282 1.00 0.00 S ATOM 0 H CYS A 89 2.062 3.940 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 89 0.484 4.605 2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.149 5.942 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.394 5.320 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 89 0.038 7.092 2.330 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.955 2.832 -0.267 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.029 1.895 -0.548 1.00 0.00 C ATOM 1391 C ALA A 90 -2.142 0.895 0.604 1.00 0.00 C ATOM 1392 O ALA A 90 -3.117 0.914 1.354 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.771 1.210 -1.892 1.00 0.00 C ATOM 0 H ALA A 90 -0.385 3.083 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.983 2.417 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.577 0.507 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.729 1.961 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.823 0.674 -1.851 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.131 0.045 0.708 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.105 -0.961 1.756 1.00 0.00 C ATOM 1401 C LEU A 91 -1.656 -0.358 3.050 1.00 0.00 C ATOM 1402 O LEU A 91 -2.620 -0.871 3.616 1.00 0.00 O ATOM 1403 CB LEU A 91 0.301 -1.548 1.901 1.00 0.00 C ATOM 1404 CG LEU A 91 0.443 -3.036 1.577 1.00 0.00 C ATOM 1405 CD1 LEU A 91 1.718 -3.613 2.196 1.00 0.00 C ATOM 1406 CD2 LEU A 91 -0.804 -3.813 2.007 1.00 0.00 C ATOM 0 H LEU A 91 -0.324 0.032 0.084 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.750 -1.800 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.975 -0.989 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.637 -1.386 2.925 1.00 0.00 H new ATOM 0 HG LEU A 91 0.532 -3.142 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.795 -4.672 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.586 -3.085 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.683 -3.493 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.677 -4.868 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.949 -3.702 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.675 -3.423 1.481 1.00 0.00 H new ATOM 1418 N SER A 92 -1.020 0.721 3.480 1.00 0.00 N ATOM 1419 CA SER A 92 -1.434 1.399 4.697 1.00 0.00 C ATOM 1420 C SER A 92 -2.959 1.371 4.818 1.00 0.00 C ATOM 1421 O SER A 92 -3.495 0.993 5.859 1.00 0.00 O ATOM 1422 CB SER A 92 -0.926 2.842 4.723 1.00 0.00 C ATOM 1423 OG SER A 92 -0.721 3.312 6.053 1.00 0.00 O ATOM 0 H SER A 92 -0.221 1.143 3.008 1.00 0.00 H new ATOM 0 HA SER A 92 -0.999 0.874 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.009 2.907 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.643 3.488 4.217 1.00 0.00 H new ATOM 0 HG SER A 92 -0.395 4.236 6.027 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.614 1.776 3.740 1.00 0.00 N ATOM 1430 CA LEU A 93 -5.066 1.801 3.713 1.00 0.00 C ATOM 1431 C LEU A 93 -5.596 0.368 3.628 1.00 0.00 C ATOM 1432 O LEU A 93 -6.346 -0.072 4.497 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.565 2.709 2.587 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.098 4.165 2.642 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -5.094 4.685 4.081 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.733 4.329 1.970 1.00 0.00 C ATOM 0 H LEU A 93 -3.166 2.089 2.879 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.457 2.231 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.248 2.282 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.655 2.697 2.594 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.808 4.773 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.758 5.722 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.102 4.625 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.419 4.079 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.424 5.373 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.998 3.707 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.802 4.024 0.926 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.185 -0.319 2.572 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.609 -1.693 2.362 1.00 0.00 C ATOM 1450 C VAL A 94 -5.407 -2.487 3.654 1.00 0.00 C ATOM 1451 O VAL A 94 -6.373 -2.818 4.340 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.863 -2.294 1.169 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.266 -3.753 0.949 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -5.094 -1.465 -0.096 1.00 0.00 C ATOM 0 H VAL A 94 -4.563 0.050 1.853 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.671 -1.732 2.118 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.797 -2.271 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.721 -4.156 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.027 -4.335 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.337 -3.809 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.553 -1.914 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.159 -1.441 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.735 -0.448 0.065 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.146 -2.770 3.947 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.806 -3.519 5.145 1.00 0.00 C ATOM 1466 C ARG A 95 -4.731 -3.124 6.299 1.00 0.00 C ATOM 1467 O ARG A 95 -5.308 -3.986 6.959 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.354 -3.270 5.557 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.457 -4.435 5.134 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.010 -3.973 4.949 1.00 0.00 C ATOM 1471 NE ARG A 95 0.145 -2.585 5.437 1.00 0.00 N ATOM 1472 CZ ARG A 95 0.029 -2.223 6.723 1.00 0.00 C ATOM 1473 NH1 ARG A 95 -0.243 -3.145 7.656 1.00 0.00 N ATOM 1474 NH2 ARG A 95 0.186 -0.940 7.074 1.00 0.00 N ATOM 0 H ARG A 95 -3.347 -2.494 3.375 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.932 -4.578 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.996 -2.347 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.297 -3.136 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.498 -5.222 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.827 -4.865 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.664 -4.635 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.267 -4.030 3.896 1.00 0.00 H new ATOM 0 HE ARG A 95 0.353 -1.858 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.362 -4.122 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.331 -2.870 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.394 -0.239 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.098 -0.664 8.052 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.843 -1.820 6.505 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.688 -1.301 7.567 1.00 0.00 C ATOM 1490 C GLN A 96 -7.136 -1.750 7.362 1.00 0.00 C ATOM 1491 O GLN A 96 -7.789 -2.201 8.301 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.593 0.224 7.647 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.423 0.655 8.535 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.573 2.114 8.970 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.881 2.945 7.978 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -4.420 2.462 10.129 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.363 -1.108 5.955 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.334 -1.705 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.466 0.637 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.524 0.630 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.374 0.013 9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.485 0.528 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.184 1.772 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.528 3.443 10.385 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.595 -1.610 6.127 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.954 -1.996 5.786 1.00 0.00 C ATOM 1507 C LEU A 97 -9.199 -3.438 6.236 1.00 0.00 C ATOM 1508 O LEU A 97 -10.136 -3.707 6.986 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.219 -1.764 4.297 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.292 -0.303 3.849 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -9.027 -0.176 2.347 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.627 0.328 4.250 1.00 0.00 C ATOM 0 H LEU A 97 -7.050 -1.235 5.350 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.672 -1.370 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.433 -2.259 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.158 -2.251 4.035 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.507 0.251 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.085 0.872 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.033 -0.562 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.774 -0.748 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.652 1.366 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.444 -0.222 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.737 0.289 5.334 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.339 -4.327 5.760 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.450 -5.734 6.105 1.00 0.00 C ATOM 1526 C TYR A 98 -8.538 -5.922 7.621 1.00 0.00 C ATOM 1527 O TYR A 98 -9.446 -6.587 8.116 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.169 -6.395 5.594 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.787 -7.673 6.344 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.461 -8.850 6.089 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.768 -7.649 7.274 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.101 -10.053 6.795 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.408 -8.852 7.980 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.093 -9.995 7.705 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.753 -11.131 8.371 1.00 0.00 O ATOM 0 H TYR A 98 -7.563 -4.100 5.139 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.348 -6.167 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.290 -6.629 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.348 -5.682 5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.258 -8.869 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.240 -6.728 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.621 -10.981 6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.613 -8.847 8.711 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.337 -11.763 7.748 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.581 -5.324 8.315 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.539 -5.417 9.765 1.00 0.00 C ATOM 1547 C HIS A 99 -8.902 -5.032 10.344 1.00 0.00 C ATOM 1548 O HIS A 99 -9.510 -5.810 11.077 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.395 -4.573 10.330 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.849 -3.435 11.213 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.675 -3.620 12.308 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.584 -2.099 11.152 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.891 -2.441 12.872 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.214 -1.499 12.154 1.00 0.00 N ATOM 0 H HIS A 99 -6.829 -4.773 7.901 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.335 -6.446 10.061 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.728 -5.219 10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.813 -4.167 9.502 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.053 -4.512 12.626 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.966 -1.611 10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.497 -2.258 13.747 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.341 -3.833 9.993 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.620 -3.335 10.468 1.00 0.00 C ATOM 1564 C LEU A 100 -11.714 -4.351 10.132 1.00 0.00 C ATOM 1565 O LEU A 100 -12.504 -4.727 10.997 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.890 -1.935 9.914 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.183 -0.783 10.631 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.115 0.458 9.738 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.845 -0.485 11.977 1.00 0.00 C ATOM 0 H LEU A 100 -8.833 -3.191 9.384 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.607 -3.226 11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.597 -1.918 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.964 -1.753 9.948 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.157 -1.088 10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.608 1.262 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.564 0.222 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.125 0.775 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.323 0.338 12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.887 -0.209 11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.798 -1.371 12.610 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.725 -4.766 8.874 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.709 -5.731 8.413 1.00 0.00 C ATOM 1583 C GLY A 101 -13.537 -5.161 7.259 1.00 0.00 C ATOM 1584 O GLY A 101 -14.765 -5.229 7.279 1.00 0.00 O ATOM 0 H GLY A 101 -11.068 -4.452 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.206 -6.642 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.368 -6.006 9.237 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.831 -4.612 6.281 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.485 -4.031 5.121 1.00 0.00 C ATOM 1590 C VAL A 102 -13.183 -4.886 3.889 1.00 0.00 C ATOM 1591 O VAL A 102 -14.088 -5.223 3.126 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.057 -2.571 4.956 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.460 -2.034 3.581 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.632 -1.701 6.075 1.00 0.00 C ATOM 0 H VAL A 102 -11.813 -4.557 6.268 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.567 -4.025 5.255 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.970 -2.530 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.144 -0.995 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.981 -2.629 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.543 -2.096 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.313 -0.668 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.721 -1.750 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.273 -2.063 7.038 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.909 -5.213 3.733 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.477 -6.022 2.607 1.00 0.00 C ATOM 1606 C ILE A 103 -11.251 -7.461 3.075 1.00 0.00 C ATOM 1607 O ILE A 103 -11.119 -7.715 4.271 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.254 -5.395 1.934 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.208 -4.983 2.973 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.661 -4.226 1.036 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.875 -4.642 2.303 1.00 0.00 C ATOM 0 H ILE A 103 -11.162 -4.932 4.368 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.252 -6.053 1.841 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.793 -6.147 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.568 -4.121 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.063 -5.792 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.773 -3.799 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.341 -4.581 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.159 -3.463 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.149 -4.353 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.506 -5.514 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.019 -3.817 1.606 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.213 -8.366 2.108 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.006 -9.772 2.406 1.00 0.00 C ATOM 1625 C GLU A 104 -9.529 -10.138 2.241 1.00 0.00 C ATOM 1626 O GLU A 104 -8.653 -9.294 2.422 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.891 -10.656 1.525 1.00 0.00 C ATOM 1628 CG GLU A 104 -11.413 -10.635 0.071 1.00 0.00 C ATOM 1629 CD GLU A 104 -11.847 -11.903 -0.667 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -12.994 -11.906 -1.164 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -11.022 -12.840 -0.717 1.00 0.00 O ATOM 0 H GLU A 104 -11.322 -8.152 1.117 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.291 -9.949 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.878 -11.679 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.923 -10.310 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.817 -9.759 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.327 -10.547 0.043 1.00 0.00 H new ATOM 1638 N ALA A 105 -9.299 -11.397 1.899 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.943 -11.884 1.707 1.00 0.00 C ATOM 1640 C ALA A 105 -7.720 -12.188 0.225 1.00 0.00 C ATOM 1641 O ALA A 105 -8.545 -12.843 -0.410 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.711 -13.109 2.595 1.00 0.00 C ATOM 0 H ALA A 105 -10.028 -12.095 1.750 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.217 -11.126 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.694 -13.475 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.853 -12.833 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.420 -13.892 2.327 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.599 -11.697 -0.285 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.257 -11.908 -1.681 1.00 0.00 C ATOM 1650 C TYR A 106 -6.278 -13.397 -2.032 1.00 0.00 C ATOM 1651 O TYR A 106 -6.601 -14.232 -1.190 1.00 0.00 O ATOM 1652 CB TYR A 106 -4.832 -11.376 -1.850 1.00 0.00 C ATOM 1653 CG TYR A 106 -4.429 -11.129 -3.306 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -5.380 -10.744 -4.229 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -3.115 -11.291 -3.695 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -5.000 -10.511 -5.598 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -2.736 -11.059 -5.064 1.00 0.00 C ATOM 1658 CZ TYR A 106 -3.697 -10.680 -5.949 1.00 0.00 C ATOM 1659 OH TYR A 106 -3.339 -10.461 -7.242 1.00 0.00 O ATOM 0 H TYR A 106 -5.917 -11.154 0.244 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.972 -11.405 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -4.735 -10.444 -1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.135 -12.087 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.408 -10.618 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.371 -11.592 -2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.734 -10.209 -6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.711 -11.183 -5.382 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.377 -10.619 -7.346 1.00 0.00 H new ATOM 1669 N SER A 107 -5.929 -13.683 -3.278 1.00 0.00 N ATOM 1670 CA SER A 107 -5.904 -15.057 -3.751 1.00 0.00 C ATOM 1671 C SER A 107 -4.743 -15.252 -4.729 1.00 0.00 C ATOM 1672 O SER A 107 -4.819 -16.087 -5.629 1.00 0.00 O ATOM 1673 CB SER A 107 -7.228 -15.434 -4.417 1.00 0.00 C ATOM 1674 OG SER A 107 -7.731 -16.679 -3.939 1.00 0.00 O ATOM 0 H SER A 107 -5.661 -12.987 -3.974 1.00 0.00 H new ATOM 0 HA SER A 107 -5.761 -15.712 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.963 -14.651 -4.231 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.088 -15.490 -5.496 1.00 0.00 H new ATOM 0 HG SER A 107 -8.578 -16.883 -4.387 1.00 0.00 H new ATOM 1680 N SER A 108 -3.695 -14.469 -4.518 1.00 0.00 N ATOM 1681 CA SER A 108 -2.521 -14.546 -5.369 1.00 0.00 C ATOM 1682 C SER A 108 -2.222 -16.005 -5.718 1.00 0.00 C ATOM 1683 O SER A 108 -2.558 -16.911 -4.957 1.00 0.00 O ATOM 1684 CB SER A 108 -1.308 -13.902 -4.694 1.00 0.00 C ATOM 1685 OG SER A 108 -0.404 -13.341 -5.642 1.00 0.00 O ATOM 0 H SER A 108 -3.635 -13.778 -3.770 1.00 0.00 H new ATOM 0 HA SER A 108 -2.727 -13.995 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.645 -13.123 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.787 -14.649 -4.095 1.00 0.00 H new ATOM 0 HG SER A 108 0.355 -12.938 -5.171 1.00 0.00 H new ATOM 1691 N GLY A 109 -1.593 -16.188 -6.871 1.00 0.00 N ATOM 1692 CA GLY A 109 -1.245 -17.522 -7.330 1.00 0.00 C ATOM 1693 C GLY A 109 -0.259 -18.192 -6.371 1.00 0.00 C ATOM 1694 O GLY A 109 0.374 -17.521 -5.557 1.00 0.00 O ATOM 0 H GLY A 109 -1.316 -15.435 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.147 -18.129 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.807 -17.465 -8.326 1.00 0.00 H new ATOM 1698 N PRO A 110 -0.157 -19.542 -6.502 1.00 0.00 N ATOM 1699 CA PRO A 110 0.741 -20.310 -5.657 1.00 0.00 C ATOM 1700 C PRO A 110 2.197 -20.123 -6.091 1.00 0.00 C ATOM 1701 O PRO A 110 2.554 -20.432 -7.227 1.00 0.00 O ATOM 1702 CB PRO A 110 0.265 -21.748 -5.781 1.00 0.00 C ATOM 1703 CG PRO A 110 -0.581 -21.799 -7.043 1.00 0.00 C ATOM 1704 CD PRO A 110 -0.891 -20.369 -7.455 1.00 0.00 C ATOM 0 HA PRO A 110 0.719 -19.985 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.109 -22.434 -5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.317 -22.043 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.048 -22.318 -7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.503 -22.353 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.571 -20.173 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.961 -20.168 -7.412 1.00 0.00 H new ATOM 1712 N SER A 111 2.997 -19.618 -5.164 1.00 0.00 N ATOM 1713 CA SER A 111 4.405 -19.386 -5.437 1.00 0.00 C ATOM 1714 C SER A 111 5.059 -18.680 -4.248 1.00 0.00 C ATOM 1715 O SER A 111 4.720 -17.539 -3.936 1.00 0.00 O ATOM 1716 CB SER A 111 4.591 -18.561 -6.712 1.00 0.00 C ATOM 1717 OG SER A 111 4.857 -19.382 -7.845 1.00 0.00 O ATOM 0 H SER A 111 2.697 -19.363 -4.223 1.00 0.00 H new ATOM 0 HA SER A 111 4.887 -20.352 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.694 -17.970 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.413 -17.858 -6.573 1.00 0.00 H new ATOM 0 HG SER A 111 4.149 -20.054 -7.936 1.00 0.00 H new ATOM 1723 N SER A 112 5.985 -19.387 -3.616 1.00 0.00 N ATOM 1724 CA SER A 112 6.689 -18.842 -2.468 1.00 0.00 C ATOM 1725 C SER A 112 8.139 -19.331 -2.463 1.00 0.00 C ATOM 1726 O SER A 112 9.069 -18.527 -2.505 1.00 0.00 O ATOM 1727 CB SER A 112 5.994 -19.228 -1.161 1.00 0.00 C ATOM 1728 OG SER A 112 4.922 -18.344 -0.844 1.00 0.00 O ATOM 0 H SER A 112 6.264 -20.333 -3.878 1.00 0.00 H new ATOM 0 HA SER A 112 6.679 -17.755 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.613 -20.246 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.721 -19.222 -0.349 1.00 0.00 H new ATOM 0 HG SER A 112 4.621 -17.889 -1.658 1.00 0.00 H new ATOM 1734 N GLY A 113 8.286 -20.646 -2.412 1.00 0.00 N ATOM 1735 CA GLY A 113 9.607 -21.252 -2.401 1.00 0.00 C ATOM 1736 C GLY A 113 9.992 -21.752 -3.795 1.00 0.00 C ATOM 1737 O GLY A 113 11.174 -21.813 -4.132 1.00 0.00 O ATOM 0 H GLY A 113 7.512 -21.310 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.342 -20.525 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.624 -22.082 -1.695 1.00 0.00 H new TER 1741 GLY A 113