USER MOD reduce.3.24.130724 H: found=0, std=0, add=1269, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1261 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -2.03 K(o=-2,f=-8.8!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 158:sc= -0.0559 (180deg=-0.313) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.393 K(o=-0.45,f=-3.6!) USER MOD Set 3.1: A 15 SER OG : rot 130:sc= -0.106 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.0442 K(o=-0.15,f=-7.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.5!) USER MOD Single : A 31 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 46 THR OG1 : rot 160:sc= 0.0308 USER MOD Single : A 51 MET CE :methyl -111:sc= -6.56! (180deg=-10.7!) USER MOD Single : A 52 MET CE :methyl -176:sc= -3.97! (180deg=-4!) USER MOD Single : A 55 SER OG : rot 140:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.0016 (180deg=-0.025) USER MOD Single : A 65 GLN : amide:sc= -4.53! C(o=-4.5!,f=-6.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -7.74! C(o=-7.7!,f=-13!) USER MOD Single : A 72 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.1) USER MOD Single : A 75 SER OG : rot 75:sc= -0.674 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 86 THR OG1 : rot 121:sc= -1.46 USER MOD Single : A 91 THR OG1 : rot 132:sc= -3.06! USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= -0.519 (180deg=-1.9!) USER MOD Single : A 98 HIS : no HE2:sc= -2.59! K(o=-2.6!,f=-3.2) USER MOD Single : A 103 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.3) USER MOD Single : A 107 SER OG : rot 180:sc= 0.108 USER MOD Single : A 108 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 114 HIS : no HD1:sc= -7.69! C(o=-7.7!,f=-16!) USER MOD Single : A 121 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-0.88) USER MOD Single : A 122 SER OG : rot 180:sc= 0.495 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -166:sc= -2.75! USER MOD Single : A 132 SER OG : rot -112:sc= 0.714 USER MOD Single : A 135 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-1) USER MOD Single : A 136 HIS : no HD1:sc= -5.35! C(o=-5.3!,f=-5.5!) USER MOD Single : A 140 SER OG : rot 90:sc= -0.333 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 GLN :FLIP amide:sc= -2.78 F(o=-5!,f=-2.8) USER MOD Single : A 155 ASN : amide:sc= 0.0786! C(o=0.079!,f=-7.3!) USER MOD Single : A 157 MET CE :methyl -152:sc= -0.386 (180deg=-1.31!) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 163 HIS : no HD1:sc= -0.0815 K(o=-0.082,f=-1) USER MOD Single : A 164 MET CE :methyl 135:sc= -0.424 (180deg=-0.674) USER MOD Single : A 165 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.319 -18.275 -5.906 1.00 0.00 N ATOM 2 CA GLY A 1 -36.619 -17.498 -4.673 1.00 0.00 C ATOM 3 C GLY A 1 -35.487 -17.548 -3.665 1.00 0.00 C ATOM 4 O GLY A 1 -35.638 -18.113 -2.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.123 -18.209 -6.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.468 -17.888 -6.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.156 -19.272 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.817 -16.460 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.527 -17.888 -4.214 1.00 0.00 H new ATOM 10 N SER A 2 -34.352 -16.959 -4.024 1.00 0.00 N ATOM 11 CA SER A 2 -33.189 -16.940 -3.142 1.00 0.00 C ATOM 12 C SER A 2 -32.597 -15.538 -3.051 1.00 0.00 C ATOM 13 O SER A 2 -31.896 -15.088 -3.957 1.00 0.00 O ATOM 14 CB SER A 2 -32.129 -17.922 -3.642 1.00 0.00 C ATOM 15 OG SER A 2 -31.246 -18.295 -2.598 1.00 0.00 O ATOM 0 H SER A 2 -34.212 -16.489 -4.918 1.00 0.00 H new ATOM 0 HA SER A 2 -33.514 -17.242 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.614 -18.810 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.564 -17.468 -4.456 1.00 0.00 H new ATOM 0 HG SER A 2 -30.579 -18.925 -2.943 1.00 0.00 H new ATOM 21 N MET A 3 -32.885 -14.851 -1.950 1.00 0.00 N ATOM 22 CA MET A 3 -32.382 -13.499 -1.739 1.00 0.00 C ATOM 23 C MET A 3 -31.605 -13.408 -0.429 1.00 0.00 C ATOM 24 O MET A 3 -31.687 -12.407 0.284 1.00 0.00 O ATOM 25 CB MET A 3 -33.537 -12.497 -1.732 1.00 0.00 C ATOM 26 CG MET A 3 -34.572 -12.770 -0.651 1.00 0.00 C ATOM 27 SD MET A 3 -35.705 -11.389 -0.411 1.00 0.00 S ATOM 28 CE MET A 3 -35.644 -11.206 1.370 1.00 0.00 C ATOM 0 H MET A 3 -33.464 -15.209 -1.190 1.00 0.00 H new ATOM 0 HA MET A 3 -31.707 -13.256 -2.560 1.00 0.00 H new ATOM 0 HB2 MET A 3 -33.136 -11.493 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 3 -34.027 -12.513 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 3 -35.142 -13.661 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 3 -34.063 -12.985 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 3 -36.296 -10.387 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 3 -35.977 -12.130 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 3 -34.621 -10.989 1.679 1.00 0.00 H new ATOM 38 N LEU A 4 -30.855 -14.459 -0.118 1.00 0.00 N ATOM 39 CA LEU A 4 -30.065 -14.499 1.107 1.00 0.00 C ATOM 40 C LEU A 4 -28.804 -13.650 0.971 1.00 0.00 C ATOM 41 O LEU A 4 -28.242 -13.192 1.966 1.00 0.00 O ATOM 42 CB LEU A 4 -29.686 -15.942 1.448 1.00 0.00 C ATOM 43 CG LEU A 4 -30.838 -16.807 1.964 1.00 0.00 C ATOM 44 CD1 LEU A 4 -30.415 -18.266 2.042 1.00 0.00 C ATOM 45 CD2 LEU A 4 -31.309 -16.312 3.323 1.00 0.00 C ATOM 0 H LEU A 4 -30.777 -15.295 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 4 -30.673 -14.089 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -29.268 -16.412 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -28.897 -15.927 2.200 1.00 0.00 H new ATOM 0 HG LEU A 4 -31.669 -16.728 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -31.246 -18.867 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -30.127 -18.615 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -29.568 -18.363 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -32.129 -16.939 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -30.484 -16.361 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -31.652 -15.281 3.236 1.00 0.00 H new ATOM 57 N LEU A 5 -28.364 -13.445 -0.265 1.00 0.00 N ATOM 58 CA LEU A 5 -27.169 -12.652 -0.529 1.00 0.00 C ATOM 59 C LEU A 5 -25.970 -13.216 0.226 1.00 0.00 C ATOM 60 O LEU A 5 -26.051 -14.285 0.829 1.00 0.00 O ATOM 61 CB LEU A 5 -27.400 -11.194 -0.129 1.00 0.00 C ATOM 62 CG LEU A 5 -28.835 -10.694 -0.303 1.00 0.00 C ATOM 63 CD1 LEU A 5 -28.997 -9.317 0.323 1.00 0.00 C ATOM 64 CD2 LEU A 5 -29.213 -10.663 -1.776 1.00 0.00 C ATOM 0 H LEU A 5 -28.817 -13.817 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.959 -12.697 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -27.112 -11.070 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -26.737 -10.562 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 5 -29.507 -11.384 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -30.024 -8.976 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -28.767 -9.372 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -28.316 -8.616 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -30.237 -10.305 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -28.538 -9.995 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -29.135 -11.667 -2.193 1.00 0.00 H new ATOM 76 N GLU A 6 -24.858 -12.489 0.188 1.00 0.00 N ATOM 77 CA GLU A 6 -23.642 -12.918 0.871 1.00 0.00 C ATOM 78 C GLU A 6 -22.956 -11.739 1.553 1.00 0.00 C ATOM 79 O GLU A 6 -21.768 -11.495 1.347 1.00 0.00 O ATOM 80 CB GLU A 6 -22.678 -13.585 -0.112 1.00 0.00 C ATOM 81 CG GLU A 6 -22.997 -13.296 -1.568 1.00 0.00 C ATOM 82 CD GLU A 6 -23.677 -14.463 -2.258 1.00 0.00 C ATOM 83 OE1 GLU A 6 -24.717 -14.929 -1.750 1.00 0.00 O ATOM 84 OE2 GLU A 6 -23.167 -14.911 -3.307 1.00 0.00 O ATOM 0 H GLU A 6 -24.773 -11.601 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.925 -13.643 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.664 -13.249 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.697 -14.663 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.640 -12.418 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.075 -13.053 -2.097 1.00 0.00 H new ATOM 91 N GLU A 7 -23.713 -11.013 2.368 1.00 0.00 N ATOM 92 CA GLU A 7 -23.178 -9.859 3.083 1.00 0.00 C ATOM 93 C GLU A 7 -22.322 -8.998 2.161 1.00 0.00 C ATOM 94 O GLU A 7 -21.098 -8.962 2.289 1.00 0.00 O ATOM 95 CB GLU A 7 -22.351 -10.318 4.284 1.00 0.00 C ATOM 96 CG GLU A 7 -21.951 -11.783 4.224 1.00 0.00 C ATOM 97 CD GLU A 7 -21.442 -12.304 5.554 1.00 0.00 C ATOM 98 OE1 GLU A 7 -20.783 -11.531 6.281 1.00 0.00 O ATOM 99 OE2 GLU A 7 -21.703 -13.485 5.868 1.00 0.00 O ATOM 0 H GLU A 7 -24.699 -11.203 2.550 1.00 0.00 H new ATOM 0 HA GLU A 7 -24.017 -9.259 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.451 -9.707 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.922 -10.143 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.809 -12.377 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.178 -11.914 3.467 1.00 0.00 H new ATOM 106 N VAL A 8 -22.972 -8.304 1.232 1.00 0.00 N ATOM 107 CA VAL A 8 -22.270 -7.442 0.290 1.00 0.00 C ATOM 108 C VAL A 8 -22.838 -6.028 0.308 1.00 0.00 C ATOM 109 O VAL A 8 -22.332 -5.153 1.011 1.00 0.00 O ATOM 110 CB VAL A 8 -22.350 -7.995 -1.146 1.00 0.00 C ATOM 111 CG1 VAL A 8 -21.829 -6.971 -2.142 1.00 0.00 C ATOM 112 CG2 VAL A 8 -21.582 -9.303 -1.259 1.00 0.00 C ATOM 0 H VAL A 8 -23.985 -8.322 1.112 1.00 0.00 H new ATOM 0 HA VAL A 8 -21.227 -7.416 0.605 1.00 0.00 H new ATOM 0 HB VAL A 8 -23.395 -8.195 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -21.893 -7.379 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -22.430 -6.064 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.790 -6.735 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -21.650 -9.678 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.536 -9.134 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -22.009 -10.036 -0.574 1.00 0.00 H new ATOM 122 N CYS A 9 -23.894 -5.811 -0.470 1.00 0.00 N ATOM 123 CA CYS A 9 -24.532 -4.502 -0.544 1.00 0.00 C ATOM 124 C CYS A 9 -23.548 -3.443 -1.035 1.00 0.00 C ATOM 125 O CYS A 9 -23.512 -3.118 -2.221 1.00 0.00 O ATOM 126 CB CYS A 9 -25.087 -4.102 0.825 1.00 0.00 C ATOM 127 SG CYS A 9 -26.893 -4.046 0.900 1.00 0.00 S ATOM 0 H CYS A 9 -24.325 -6.524 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 9 -25.354 -4.567 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -24.724 -4.807 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -24.692 -3.122 1.093 1.00 0.00 H new ATOM 0 HG CYS A 9 -27.267 -3.701 2.096 1.00 0.00 H new ATOM 133 N VAL A 10 -22.753 -2.910 -0.113 1.00 0.00 N ATOM 134 CA VAL A 10 -21.767 -1.889 -0.452 1.00 0.00 C ATOM 135 C VAL A 10 -20.408 -2.517 -0.741 1.00 0.00 C ATOM 136 O VAL A 10 -19.510 -1.863 -1.272 1.00 0.00 O ATOM 137 CB VAL A 10 -21.633 -0.845 0.683 1.00 0.00 C ATOM 138 CG1 VAL A 10 -22.948 -0.717 1.430 1.00 0.00 C ATOM 139 CG2 VAL A 10 -20.509 -1.203 1.649 1.00 0.00 C ATOM 0 H VAL A 10 -22.772 -3.167 0.874 1.00 0.00 H new ATOM 0 HA VAL A 10 -22.117 -1.382 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.382 0.113 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -22.844 0.020 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -23.729 -0.397 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -23.217 -1.681 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -20.447 -0.446 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.712 -2.175 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -19.564 -1.244 1.108 1.00 0.00 H new ATOM 149 N GLY A 11 -20.265 -3.787 -0.377 1.00 0.00 N ATOM 150 CA GLY A 11 -19.014 -4.486 -0.593 1.00 0.00 C ATOM 151 C GLY A 11 -18.307 -4.048 -1.861 1.00 0.00 C ATOM 152 O GLY A 11 -17.078 -4.062 -1.930 1.00 0.00 O ATOM 0 H GLY A 11 -20.996 -4.345 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.357 -4.318 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -19.206 -5.558 -0.641 1.00 0.00 H new ATOM 156 N ASP A 12 -19.083 -3.655 -2.867 1.00 0.00 N ATOM 157 CA ASP A 12 -18.522 -3.210 -4.136 1.00 0.00 C ATOM 158 C ASP A 12 -18.712 -1.707 -4.319 1.00 0.00 C ATOM 159 O ASP A 12 -18.004 -1.072 -5.099 1.00 0.00 O ATOM 160 CB ASP A 12 -19.174 -3.961 -5.299 1.00 0.00 C ATOM 161 CG ASP A 12 -20.312 -4.854 -4.843 1.00 0.00 C ATOM 162 OD1 ASP A 12 -21.030 -4.466 -3.898 1.00 0.00 O ATOM 163 OD2 ASP A 12 -20.486 -5.941 -5.433 1.00 0.00 O ATOM 0 H ASP A 12 -20.102 -3.636 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.454 -3.426 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.549 -3.242 -6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.422 -4.565 -5.805 1.00 0.00 H new ATOM 168 N ARG A 13 -19.675 -1.147 -3.593 1.00 0.00 N ATOM 169 CA ARG A 13 -19.961 0.281 -3.674 1.00 0.00 C ATOM 170 C ARG A 13 -18.721 1.107 -3.348 1.00 0.00 C ATOM 171 O ARG A 13 -18.148 1.757 -4.223 1.00 0.00 O ATOM 172 CB ARG A 13 -21.097 0.648 -2.717 1.00 0.00 C ATOM 173 CG ARG A 13 -21.630 2.056 -2.918 1.00 0.00 C ATOM 174 CD ARG A 13 -22.492 2.152 -4.166 1.00 0.00 C ATOM 175 NE ARG A 13 -23.285 3.377 -4.194 1.00 0.00 N ATOM 176 CZ ARG A 13 -24.305 3.613 -3.375 1.00 0.00 C ATOM 177 NH1 ARG A 13 -24.649 2.712 -2.464 1.00 0.00 N ATOM 178 NH2 ARG A 13 -24.980 4.750 -3.466 1.00 0.00 N ATOM 0 H ARG A 13 -20.270 -1.660 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 13 -20.266 0.507 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.913 -0.063 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.744 0.545 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.214 2.353 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.797 2.754 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.855 2.113 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -23.157 1.289 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.043 4.092 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.131 1.837 -2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.432 2.895 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.717 5.445 -4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.763 4.930 -2.837 1.00 0.00 H new ATOM 192 N LEU A 14 -18.313 1.078 -2.083 1.00 0.00 N ATOM 193 CA LEU A 14 -17.142 1.825 -1.639 1.00 0.00 C ATOM 194 C LEU A 14 -15.860 1.239 -2.226 1.00 0.00 C ATOM 195 O LEU A 14 -14.831 1.912 -2.288 1.00 0.00 O ATOM 196 CB LEU A 14 -17.067 1.826 -0.108 1.00 0.00 C ATOM 197 CG LEU A 14 -15.655 1.915 0.478 1.00 0.00 C ATOM 198 CD1 LEU A 14 -15.032 3.265 0.160 1.00 0.00 C ATOM 199 CD2 LEU A 14 -15.686 1.678 1.979 1.00 0.00 C ATOM 0 H LEU A 14 -18.777 0.545 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.240 2.851 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.652 2.666 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.540 0.917 0.263 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.041 1.138 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.029 3.312 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.976 3.394 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.644 4.058 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.674 1.745 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.314 2.432 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.092 0.687 2.183 1.00 0.00 H new ATOM 211 N SER A 15 -15.929 -0.017 -2.654 1.00 0.00 N ATOM 212 CA SER A 15 -14.772 -0.690 -3.235 1.00 0.00 C ATOM 213 C SER A 15 -14.480 -0.162 -4.636 1.00 0.00 C ATOM 214 O SER A 15 -13.328 0.097 -4.984 1.00 0.00 O ATOM 215 CB SER A 15 -15.006 -2.200 -3.284 1.00 0.00 C ATOM 216 OG SER A 15 -13.840 -2.883 -3.712 1.00 0.00 O ATOM 0 H SER A 15 -16.772 -0.589 -2.610 1.00 0.00 H new ATOM 0 HA SER A 15 -13.908 -0.484 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.299 -2.558 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.831 -2.422 -3.962 1.00 0.00 H new ATOM 0 HG SER A 15 -13.642 -3.613 -3.089 1.00 0.00 H new ATOM 222 N GLY A 16 -15.530 -0.006 -5.435 1.00 0.00 N ATOM 223 CA GLY A 16 -15.365 0.489 -6.788 1.00 0.00 C ATOM 224 C GLY A 16 -15.044 1.970 -6.832 1.00 0.00 C ATOM 225 O GLY A 16 -14.310 2.428 -7.708 1.00 0.00 O ATOM 0 H GLY A 16 -16.493 -0.214 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.566 -0.067 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.278 0.302 -7.353 1.00 0.00 H new ATOM 229 N ALA A 17 -15.599 2.722 -5.887 1.00 0.00 N ATOM 230 CA ALA A 17 -15.371 4.160 -5.823 1.00 0.00 C ATOM 231 C ALA A 17 -13.949 4.477 -5.368 1.00 0.00 C ATOM 232 O ALA A 17 -13.322 5.411 -5.866 1.00 0.00 O ATOM 233 CB ALA A 17 -16.381 4.811 -4.891 1.00 0.00 C ATOM 0 H ALA A 17 -16.210 2.359 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 17 -15.500 4.566 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.200 5.885 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.389 4.626 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.278 4.389 -3.891 1.00 0.00 H new ATOM 239 N ALA A 18 -13.448 3.696 -4.416 1.00 0.00 N ATOM 240 CA ALA A 18 -12.101 3.898 -3.894 1.00 0.00 C ATOM 241 C ALA A 18 -11.046 3.460 -4.905 1.00 0.00 C ATOM 242 O ALA A 18 -10.047 4.149 -5.110 1.00 0.00 O ATOM 243 CB ALA A 18 -11.925 3.145 -2.584 1.00 0.00 C ATOM 0 H ALA A 18 -13.954 2.919 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.967 4.964 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.915 3.304 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.648 3.510 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.086 2.080 -2.752 1.00 0.00 H new ATOM 249 N ALA A 19 -11.272 2.310 -5.530 1.00 0.00 N ATOM 250 CA ALA A 19 -10.338 1.780 -6.517 1.00 0.00 C ATOM 251 C ALA A 19 -10.310 2.647 -7.771 1.00 0.00 C ATOM 252 O ALA A 19 -9.260 2.827 -8.388 1.00 0.00 O ATOM 253 CB ALA A 19 -10.705 0.347 -6.872 1.00 0.00 C ATOM 0 H ALA A 19 -12.094 1.727 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.340 1.792 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.000 -0.037 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.665 -0.272 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.713 0.321 -7.286 1.00 0.00 H new ATOM 259 N ARG A 20 -11.468 3.179 -8.144 1.00 0.00 N ATOM 260 CA ARG A 20 -11.575 4.026 -9.326 1.00 0.00 C ATOM 261 C ARG A 20 -10.848 5.351 -9.116 1.00 0.00 C ATOM 262 O ARG A 20 -10.677 6.131 -10.053 1.00 0.00 O ATOM 263 CB ARG A 20 -13.044 4.286 -9.660 1.00 0.00 C ATOM 264 CG ARG A 20 -13.728 5.232 -8.688 1.00 0.00 C ATOM 265 CD ARG A 20 -15.051 5.738 -9.239 1.00 0.00 C ATOM 266 NE ARG A 20 -16.077 4.700 -9.236 1.00 0.00 N ATOM 267 CZ ARG A 20 -17.174 4.747 -9.986 1.00 0.00 C ATOM 268 NH1 ARG A 20 -17.381 5.779 -10.794 1.00 0.00 N ATOM 269 NH2 ARG A 20 -18.062 3.765 -9.930 1.00 0.00 N ATOM 0 H ARG A 20 -12.346 3.039 -7.645 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.106 3.503 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.112 4.700 -10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.580 3.337 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.899 4.721 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.072 6.078 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.391 6.586 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.905 6.101 -10.256 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.945 3.894 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.699 6.536 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.222 5.815 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.905 2.970 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.903 3.804 -10.507 1.00 0.00 H new ATOM 283 N GLY A 21 -10.423 5.599 -7.882 1.00 0.00 N ATOM 284 CA GLY A 21 -9.720 6.830 -7.574 1.00 0.00 C ATOM 285 C GLY A 21 -10.571 8.060 -7.818 1.00 0.00 C ATOM 286 O GLY A 21 -10.396 8.756 -8.818 1.00 0.00 O ATOM 0 H GLY A 21 -10.553 4.970 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.403 6.812 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.817 6.891 -8.181 1.00 0.00 H new ATOM 290 N ASP A 22 -11.495 8.329 -6.902 1.00 0.00 N ATOM 291 CA ASP A 22 -12.378 9.482 -7.020 1.00 0.00 C ATOM 292 C ASP A 22 -12.571 10.159 -5.666 1.00 0.00 C ATOM 293 O ASP A 22 -13.485 9.818 -4.916 1.00 0.00 O ATOM 294 CB ASP A 22 -13.733 9.055 -7.587 1.00 0.00 C ATOM 295 CG ASP A 22 -14.145 9.884 -8.788 1.00 0.00 C ATOM 296 OD1 ASP A 22 -14.685 10.992 -8.587 1.00 0.00 O ATOM 297 OD2 ASP A 22 -13.929 9.424 -9.929 1.00 0.00 O ATOM 0 H ASP A 22 -11.652 7.763 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.915 10.196 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.689 8.004 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.493 9.143 -6.810 1.00 0.00 H new ATOM 302 N VAL A 23 -11.704 11.119 -5.360 1.00 0.00 N ATOM 303 CA VAL A 23 -11.782 11.842 -4.096 1.00 0.00 C ATOM 304 C VAL A 23 -13.179 12.411 -3.876 1.00 0.00 C ATOM 305 O VAL A 23 -13.576 12.688 -2.744 1.00 0.00 O ATOM 306 CB VAL A 23 -10.760 12.993 -4.041 1.00 0.00 C ATOM 307 CG1 VAL A 23 -10.819 13.821 -5.315 1.00 0.00 C ATOM 308 CG2 VAL A 23 -11.002 13.864 -2.818 1.00 0.00 C ATOM 0 H VAL A 23 -10.941 11.414 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.553 11.125 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.761 12.564 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.090 14.629 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.591 13.187 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.818 14.241 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.270 14.672 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.006 14.285 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.903 13.260 -1.916 1.00 0.00 H new ATOM 318 N GLN A 24 -13.921 12.582 -4.966 1.00 0.00 N ATOM 319 CA GLN A 24 -15.275 13.116 -4.892 1.00 0.00 C ATOM 320 C GLN A 24 -16.235 12.080 -4.316 1.00 0.00 C ATOM 321 O GLN A 24 -17.025 12.379 -3.420 1.00 0.00 O ATOM 322 CB GLN A 24 -15.750 13.552 -6.280 1.00 0.00 C ATOM 323 CG GLN A 24 -14.820 14.545 -6.958 1.00 0.00 C ATOM 324 CD GLN A 24 -15.419 15.934 -7.056 1.00 0.00 C ATOM 325 OE1 GLN A 24 -16.630 16.112 -6.922 1.00 0.00 O ATOM 326 NE2 GLN A 24 -14.572 16.928 -7.292 1.00 0.00 N ATOM 0 H GLN A 24 -13.607 12.358 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 24 -15.263 13.983 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -15.851 12.671 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -16.741 13.997 -6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.883 14.596 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.579 14.186 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.576 16.735 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.917 17.885 -7.369 1.00 0.00 H new ATOM 335 N GLU A 25 -16.163 10.860 -4.839 1.00 0.00 N ATOM 336 CA GLU A 25 -17.025 9.777 -4.380 1.00 0.00 C ATOM 337 C GLU A 25 -16.598 9.286 -2.999 1.00 0.00 C ATOM 338 O GLU A 25 -17.433 9.076 -2.120 1.00 0.00 O ATOM 339 CB GLU A 25 -16.998 8.617 -5.378 1.00 0.00 C ATOM 340 CG GLU A 25 -17.451 9.008 -6.775 1.00 0.00 C ATOM 341 CD GLU A 25 -18.711 8.283 -7.205 1.00 0.00 C ATOM 342 OE1 GLU A 25 -18.810 7.064 -6.950 1.00 0.00 O ATOM 343 OE2 GLU A 25 -19.599 8.933 -7.796 1.00 0.00 O ATOM 0 H GLU A 25 -15.516 10.597 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.042 10.163 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.985 8.218 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.637 7.815 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.626 10.083 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.653 8.793 -7.485 1.00 0.00 H new ATOM 350 N VAL A 26 -15.294 9.107 -2.816 1.00 0.00 N ATOM 351 CA VAL A 26 -14.759 8.643 -1.542 1.00 0.00 C ATOM 352 C VAL A 26 -15.260 9.508 -0.391 1.00 0.00 C ATOM 353 O VAL A 26 -15.617 8.998 0.671 1.00 0.00 O ATOM 354 CB VAL A 26 -13.218 8.651 -1.541 1.00 0.00 C ATOM 355 CG1 VAL A 26 -12.693 10.069 -1.371 1.00 0.00 C ATOM 356 CG2 VAL A 26 -12.680 7.740 -0.448 1.00 0.00 C ATOM 0 H VAL A 26 -14.589 9.276 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.109 7.620 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.869 8.271 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.603 10.056 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.050 10.690 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.050 10.478 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.590 7.758 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.036 8.086 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.028 6.721 -0.619 1.00 0.00 H new ATOM 366 N ARG A 27 -15.286 10.818 -0.611 1.00 0.00 N ATOM 367 CA ARG A 27 -15.747 11.755 0.408 1.00 0.00 C ATOM 368 C ARG A 27 -17.248 11.617 0.634 1.00 0.00 C ATOM 369 O ARG A 27 -17.692 11.257 1.724 1.00 0.00 O ATOM 370 CB ARG A 27 -15.411 13.191 0.001 1.00 0.00 C ATOM 371 CG ARG A 27 -13.941 13.543 0.165 1.00 0.00 C ATOM 372 CD ARG A 27 -13.566 14.791 -0.622 1.00 0.00 C ATOM 373 NE ARG A 27 -14.652 15.252 -1.485 1.00 0.00 N ATOM 374 CZ ARG A 27 -15.613 16.076 -1.081 1.00 0.00 C ATOM 375 NH1 ARG A 27 -15.629 16.519 0.169 1.00 0.00 N ATOM 376 NH2 ARG A 27 -16.560 16.457 -1.927 1.00 0.00 N ATOM 0 H ARG A 27 -14.994 11.255 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.234 11.520 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -15.698 13.341 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -16.009 13.878 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.721 13.700 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.328 12.706 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.294 15.587 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.686 14.583 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.673 14.923 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.902 16.227 0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.368 17.151 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.551 16.118 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.297 17.090 -1.616 1.00 0.00 H new ATOM 390 N ARG A 28 -18.026 11.907 -0.404 1.00 0.00 N ATOM 391 CA ARG A 28 -19.478 11.817 -0.321 1.00 0.00 C ATOM 392 C ARG A 28 -19.908 10.422 0.117 1.00 0.00 C ATOM 393 O ARG A 28 -21.014 10.230 0.620 1.00 0.00 O ATOM 394 CB ARG A 28 -20.110 12.153 -1.673 1.00 0.00 C ATOM 395 CG ARG A 28 -20.566 13.597 -1.788 1.00 0.00 C ATOM 396 CD ARG A 28 -21.600 13.767 -2.889 1.00 0.00 C ATOM 397 NE ARG A 28 -22.572 14.810 -2.572 1.00 0.00 N ATOM 398 CZ ARG A 28 -23.817 14.824 -3.037 1.00 0.00 C ATOM 399 NH1 ARG A 28 -24.240 13.854 -3.838 1.00 0.00 N ATOM 400 NH2 ARG A 28 -24.640 15.807 -2.703 1.00 0.00 N ATOM 0 H ARG A 28 -17.674 12.207 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 28 -19.820 12.538 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -19.389 11.944 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.964 11.497 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.988 13.924 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -19.707 14.236 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.097 14.013 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -22.121 12.822 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.279 15.571 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -23.609 13.096 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -25.196 13.867 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -24.318 16.555 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -25.595 15.816 -3.061 1.00 0.00 H new ATOM 414 N LEU A 29 -19.026 9.452 -0.086 1.00 0.00 N ATOM 415 CA LEU A 29 -19.309 8.071 0.282 1.00 0.00 C ATOM 416 C LEU A 29 -19.277 7.890 1.797 1.00 0.00 C ATOM 417 O LEU A 29 -20.307 7.651 2.427 1.00 0.00 O ATOM 418 CB LEU A 29 -18.296 7.130 -0.373 1.00 0.00 C ATOM 419 CG LEU A 29 -18.722 6.561 -1.727 1.00 0.00 C ATOM 420 CD1 LEU A 29 -17.562 5.833 -2.387 1.00 0.00 C ATOM 421 CD2 LEU A 29 -19.916 5.632 -1.565 1.00 0.00 C ATOM 0 H LEU A 29 -18.107 9.597 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.310 7.827 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.355 7.666 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.101 6.301 0.307 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.018 7.389 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -17.883 5.434 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.736 6.528 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -17.234 5.014 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.205 5.237 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -19.649 4.808 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.752 6.185 -1.136 1.00 0.00 H new ATOM 433 N LEU A 30 -18.086 7.999 2.374 1.00 0.00 N ATOM 434 CA LEU A 30 -17.914 7.841 3.813 1.00 0.00 C ATOM 435 C LEU A 30 -18.578 8.981 4.579 1.00 0.00 C ATOM 436 O LEU A 30 -19.247 8.754 5.588 1.00 0.00 O ATOM 437 CB LEU A 30 -16.427 7.777 4.159 1.00 0.00 C ATOM 438 CG LEU A 30 -15.707 6.509 3.692 1.00 0.00 C ATOM 439 CD1 LEU A 30 -15.636 5.494 4.821 1.00 0.00 C ATOM 440 CD2 LEU A 30 -16.400 5.910 2.478 1.00 0.00 C ATOM 0 H LEU A 30 -17.224 8.197 1.866 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.395 6.909 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.930 8.642 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.317 7.862 5.240 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.691 6.779 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.121 4.598 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.090 5.923 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.645 5.232 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.871 5.010 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.428 5.655 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.398 6.635 1.664 1.00 0.00 H new ATOM 452 N HIS A 31 -18.385 10.204 4.101 1.00 0.00 N ATOM 453 CA HIS A 31 -18.962 11.376 4.750 1.00 0.00 C ATOM 454 C HIS A 31 -20.468 11.454 4.515 1.00 0.00 C ATOM 455 O HIS A 31 -21.133 12.369 5.005 1.00 0.00 O ATOM 456 CB HIS A 31 -18.287 12.651 4.241 1.00 0.00 C ATOM 457 CG HIS A 31 -16.857 12.779 4.668 1.00 0.00 C ATOM 458 ND1 HIS A 31 -16.484 13.634 5.677 1.00 0.00 N ATOM 459 CD2 HIS A 31 -15.756 12.143 4.198 1.00 0.00 C ATOM 460 CE1 HIS A 31 -15.176 13.501 5.800 1.00 0.00 C ATOM 461 NE2 HIS A 31 -14.690 12.608 4.924 1.00 0.00 N ATOM 0 H HIS A 31 -17.834 10.411 3.268 1.00 0.00 H new ATOM 0 HA HIS A 31 -18.789 11.283 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.336 12.669 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.844 13.516 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -15.725 11.411 3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.574 14.042 6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.715 12.329 4.819 1.00 0.00 H new ATOM 469 N ARG A 32 -21.006 10.495 3.769 1.00 0.00 N ATOM 470 CA ARG A 32 -22.436 10.465 3.480 1.00 0.00 C ATOM 471 C ARG A 32 -22.935 9.033 3.310 1.00 0.00 C ATOM 472 O ARG A 32 -23.580 8.481 4.202 1.00 0.00 O ATOM 473 CB ARG A 32 -22.742 11.281 2.222 1.00 0.00 C ATOM 474 CG ARG A 32 -23.947 12.194 2.366 1.00 0.00 C ATOM 475 CD ARG A 32 -25.092 11.752 1.469 1.00 0.00 C ATOM 476 NE ARG A 32 -26.168 11.115 2.224 1.00 0.00 N ATOM 477 CZ ARG A 32 -27.066 11.789 2.935 1.00 0.00 C ATOM 478 NH1 ARG A 32 -27.013 13.114 2.988 1.00 0.00 N ATOM 479 NH2 ARG A 32 -28.018 11.142 3.593 1.00 0.00 N ATOM 0 H ARG A 32 -20.475 9.729 3.354 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.958 10.908 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.869 11.883 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.911 10.599 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -24.278 12.200 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.662 13.216 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.487 12.616 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.716 11.057 0.718 1.00 0.00 H new ATOM 0 HE ARG A 32 -26.234 10.097 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.283 13.616 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.703 13.631 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -28.063 10.124 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.706 11.663 4.138 1.00 0.00 H new ATOM 493 N GLU A 33 -22.634 8.436 2.161 1.00 0.00 N ATOM 494 CA GLU A 33 -23.057 7.068 1.878 1.00 0.00 C ATOM 495 C GLU A 33 -22.856 6.171 3.096 1.00 0.00 C ATOM 496 O GLU A 33 -23.565 5.181 3.273 1.00 0.00 O ATOM 497 CB GLU A 33 -22.283 6.507 0.683 1.00 0.00 C ATOM 498 CG GLU A 33 -22.654 5.074 0.339 1.00 0.00 C ATOM 499 CD GLU A 33 -24.141 4.897 0.102 1.00 0.00 C ATOM 500 OE1 GLU A 33 -24.649 5.431 -0.906 1.00 0.00 O ATOM 501 OE2 GLU A 33 -24.797 4.222 0.922 1.00 0.00 O ATOM 0 H GLU A 33 -22.100 8.877 1.412 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.120 7.088 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.464 7.139 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.215 6.556 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.109 4.766 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.338 4.417 1.149 1.00 0.00 H new ATOM 508 N LEU A 34 -21.886 6.525 3.933 1.00 0.00 N ATOM 509 CA LEU A 34 -21.595 5.750 5.133 1.00 0.00 C ATOM 510 C LEU A 34 -21.318 4.291 4.783 1.00 0.00 C ATOM 511 O LEU A 34 -22.013 3.389 5.249 1.00 0.00 O ATOM 512 CB LEU A 34 -22.763 5.836 6.116 1.00 0.00 C ATOM 513 CG LEU A 34 -22.492 6.659 7.377 1.00 0.00 C ATOM 514 CD1 LEU A 34 -22.679 8.142 7.098 1.00 0.00 C ATOM 515 CD2 LEU A 34 -23.398 6.208 8.512 1.00 0.00 C ATOM 0 H LEU A 34 -21.289 7.342 3.802 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.704 6.170 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.622 6.264 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -23.042 4.825 6.414 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.457 6.496 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.482 8.711 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.987 8.455 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.703 8.324 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -23.192 6.804 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -24.440 6.340 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -23.213 5.156 8.729 1.00 0.00 H new ATOM 527 N VAL A 35 -20.299 4.066 3.960 1.00 0.00 N ATOM 528 CA VAL A 35 -19.935 2.715 3.549 1.00 0.00 C ATOM 529 C VAL A 35 -19.031 2.048 4.581 1.00 0.00 C ATOM 530 O VAL A 35 -18.181 2.699 5.189 1.00 0.00 O ATOM 531 CB VAL A 35 -19.223 2.711 2.183 1.00 0.00 C ATOM 532 CG1 VAL A 35 -19.606 1.474 1.385 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.548 3.977 1.403 1.00 0.00 C ATOM 0 H VAL A 35 -19.712 4.800 3.565 1.00 0.00 H new ATOM 0 HA VAL A 35 -20.865 2.153 3.466 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.147 2.687 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.093 1.488 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.316 0.580 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.684 1.466 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.035 3.954 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -20.624 4.037 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.218 4.848 1.969 1.00 0.00 H new ATOM 543 N HIS A 36 -19.221 0.747 4.772 1.00 0.00 N ATOM 544 CA HIS A 36 -18.423 -0.013 5.729 1.00 0.00 C ATOM 545 C HIS A 36 -17.032 -0.295 5.170 1.00 0.00 C ATOM 546 O HIS A 36 -16.868 -0.536 3.974 1.00 0.00 O ATOM 547 CB HIS A 36 -19.124 -1.328 6.076 1.00 0.00 C ATOM 548 CG HIS A 36 -18.820 -1.822 7.456 1.00 0.00 C ATOM 549 ND1 HIS A 36 -18.188 -3.025 7.664 1.00 0.00 N ATOM 550 CD2 HIS A 36 -19.075 -1.244 8.655 1.00 0.00 C ATOM 551 CE1 HIS A 36 -18.071 -3.150 8.973 1.00 0.00 C ATOM 552 NE2 HIS A 36 -18.594 -2.096 9.616 1.00 0.00 N ATOM 0 H HIS A 36 -19.921 0.196 4.276 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.317 0.584 6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -20.201 -1.193 5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -18.829 -2.089 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -19.563 -0.295 8.822 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.612 -3.995 9.464 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -18.628 -1.955 10.626 1.00 0.00 H new ATOM 560 N PRO A 37 -16.008 -0.270 6.037 1.00 0.00 N ATOM 561 CA PRO A 37 -14.621 -0.525 5.632 1.00 0.00 C ATOM 562 C PRO A 37 -14.403 -1.974 5.209 1.00 0.00 C ATOM 563 O PRO A 37 -13.458 -2.285 4.483 1.00 0.00 O ATOM 564 CB PRO A 37 -13.815 -0.207 6.893 1.00 0.00 C ATOM 565 CG PRO A 37 -14.776 -0.398 8.015 1.00 0.00 C ATOM 566 CD PRO A 37 -16.121 0.006 7.479 1.00 0.00 C ATOM 0 HA PRO A 37 -14.331 0.072 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.955 -0.870 6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.430 0.813 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.784 -1.435 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.499 0.212 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.926 -0.569 7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.331 1.058 7.672 1.00 0.00 H new ATOM 574 N ASP A 38 -15.283 -2.858 5.668 1.00 0.00 N ATOM 575 CA ASP A 38 -15.188 -4.276 5.338 1.00 0.00 C ATOM 576 C ASP A 38 -15.992 -4.594 4.081 1.00 0.00 C ATOM 577 O ASP A 38 -16.562 -5.679 3.955 1.00 0.00 O ATOM 578 CB ASP A 38 -15.685 -5.130 6.505 1.00 0.00 C ATOM 579 CG ASP A 38 -17.194 -5.275 6.516 1.00 0.00 C ATOM 580 OD1 ASP A 38 -17.785 -5.423 5.425 1.00 0.00 O ATOM 581 OD2 ASP A 38 -17.785 -5.239 7.616 1.00 0.00 O ATOM 0 H ASP A 38 -16.071 -2.617 6.270 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.140 -4.510 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.229 -6.118 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.359 -4.682 7.444 1.00 0.00 H new ATOM 586 N ALA A 39 -16.033 -3.642 3.154 1.00 0.00 N ATOM 587 CA ALA A 39 -16.768 -3.820 1.907 1.00 0.00 C ATOM 588 C ALA A 39 -15.957 -4.628 0.902 1.00 0.00 C ATOM 589 O ALA A 39 -14.819 -4.281 0.585 1.00 0.00 O ATOM 590 CB ALA A 39 -17.142 -2.469 1.319 1.00 0.00 C ATOM 0 H ALA A 39 -15.566 -2.740 3.243 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.680 -4.374 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.690 -2.616 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.768 -1.925 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.237 -1.896 1.120 1.00 0.00 H new ATOM 596 N LEU A 40 -16.549 -5.707 0.400 1.00 0.00 N ATOM 597 CA LEU A 40 -15.881 -6.562 -0.573 1.00 0.00 C ATOM 598 C LEU A 40 -16.744 -6.747 -1.815 1.00 0.00 C ATOM 599 O LEU A 40 -17.893 -7.183 -1.726 1.00 0.00 O ATOM 600 CB LEU A 40 -15.556 -7.924 0.045 1.00 0.00 C ATOM 601 CG LEU A 40 -15.407 -7.930 1.567 1.00 0.00 C ATOM 602 CD1 LEU A 40 -16.426 -8.867 2.197 1.00 0.00 C ATOM 603 CD2 LEU A 40 -13.995 -8.333 1.964 1.00 0.00 C ATOM 0 H LEU A 40 -17.490 -6.010 0.651 1.00 0.00 H new ATOM 0 HA LEU A 40 -14.951 -6.076 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.343 -8.627 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.630 -8.294 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.592 -6.921 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.306 -8.859 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.432 -8.535 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.271 -9.879 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.908 -8.332 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.781 -9.332 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.282 -7.624 1.542 1.00 0.00 H new ATOM 615 N ASN A 41 -16.185 -6.415 -2.974 1.00 0.00 N ATOM 616 CA ASN A 41 -16.904 -6.545 -4.235 1.00 0.00 C ATOM 617 C ASN A 41 -17.261 -8.001 -4.510 1.00 0.00 C ATOM 618 O ASN A 41 -18.437 -8.357 -4.596 1.00 0.00 O ATOM 619 CB ASN A 41 -16.065 -5.986 -5.386 1.00 0.00 C ATOM 620 CG ASN A 41 -14.588 -6.290 -5.227 1.00 0.00 C ATOM 621 OD1 ASN A 41 -14.182 -7.451 -5.199 1.00 0.00 O ATOM 622 ND2 ASN A 41 -13.776 -5.244 -5.122 1.00 0.00 N ATOM 0 H ASN A 41 -15.236 -6.054 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.828 -5.972 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.420 -6.405 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.207 -4.907 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.772 -5.387 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.157 -4.298 -5.150 1.00 0.00 H new ATOM 629 N ARG A 42 -16.240 -8.840 -4.648 1.00 0.00 N ATOM 630 CA ARG A 42 -16.447 -10.259 -4.913 1.00 0.00 C ATOM 631 C ARG A 42 -16.354 -11.072 -3.627 1.00 0.00 C ATOM 632 O ARG A 42 -15.688 -12.106 -3.581 1.00 0.00 O ATOM 633 CB ARG A 42 -15.418 -10.764 -5.927 1.00 0.00 C ATOM 634 CG ARG A 42 -15.680 -12.184 -6.404 1.00 0.00 C ATOM 635 CD ARG A 42 -17.026 -12.300 -7.101 1.00 0.00 C ATOM 636 NE ARG A 42 -17.340 -13.680 -7.459 1.00 0.00 N ATOM 637 CZ ARG A 42 -18.539 -14.080 -7.872 1.00 0.00 C ATOM 638 NH1 ARG A 42 -19.530 -13.206 -7.981 1.00 0.00 N ATOM 639 NH2 ARG A 42 -18.747 -15.354 -8.176 1.00 0.00 N ATOM 0 H ARG A 42 -15.261 -8.562 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.447 -10.384 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.411 -10.096 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.425 -10.717 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.888 -12.491 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.650 -12.866 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.807 -11.908 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.023 -11.684 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.598 -14.376 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -19.373 -12.225 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.449 -13.514 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.987 -16.029 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.667 -15.659 -8.493 1.00 0.00 H new ATOM 653 N PHE A 43 -17.027 -10.598 -2.583 1.00 0.00 N ATOM 654 CA PHE A 43 -17.021 -11.281 -1.295 1.00 0.00 C ATOM 655 C PHE A 43 -15.648 -11.877 -1.002 1.00 0.00 C ATOM 656 O PHE A 43 -15.502 -13.093 -0.871 1.00 0.00 O ATOM 657 CB PHE A 43 -18.081 -12.384 -1.271 1.00 0.00 C ATOM 658 CG PHE A 43 -17.984 -13.282 -0.070 1.00 0.00 C ATOM 659 CD1 PHE A 43 -18.046 -12.753 1.215 1.00 0.00 C ATOM 660 CD2 PHE A 43 -17.830 -14.655 -0.223 1.00 0.00 C ATOM 661 CE1 PHE A 43 -17.956 -13.578 2.325 1.00 0.00 C ATOM 662 CE2 PHE A 43 -17.740 -15.485 0.884 1.00 0.00 C ATOM 663 CZ PHE A 43 -17.803 -14.945 2.159 1.00 0.00 C ATOM 0 H PHE A 43 -17.583 -9.743 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 43 -17.253 -10.547 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -19.070 -11.927 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -17.987 -12.987 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -18.166 -11.688 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -17.780 -15.080 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -18.005 -13.156 3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -17.621 -16.550 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 43 -17.733 -15.590 3.023 1.00 0.00 H new ATOM 673 N GLY A 44 -14.645 -11.012 -0.898 1.00 0.00 N ATOM 674 CA GLY A 44 -13.297 -11.472 -0.619 1.00 0.00 C ATOM 675 C GLY A 44 -12.326 -10.326 -0.419 1.00 0.00 C ATOM 676 O GLY A 44 -11.797 -10.136 0.677 1.00 0.00 O ATOM 0 H GLY A 44 -14.741 -10.002 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.307 -12.097 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.952 -12.098 -1.442 1.00 0.00 H new ATOM 680 N LYS A 45 -12.093 -9.557 -1.478 1.00 0.00 N ATOM 681 CA LYS A 45 -11.179 -8.423 -1.413 1.00 0.00 C ATOM 682 C LYS A 45 -11.908 -7.170 -0.936 1.00 0.00 C ATOM 683 O LYS A 45 -13.088 -6.976 -1.229 1.00 0.00 O ATOM 684 CB LYS A 45 -10.545 -8.169 -2.781 1.00 0.00 C ATOM 685 CG LYS A 45 -10.120 -9.439 -3.500 1.00 0.00 C ATOM 686 CD LYS A 45 -9.601 -9.141 -4.897 1.00 0.00 C ATOM 687 CE LYS A 45 -8.108 -8.854 -4.887 1.00 0.00 C ATOM 688 NZ LYS A 45 -7.310 -10.071 -4.569 1.00 0.00 N ATOM 0 H LYS A 45 -12.525 -9.699 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.392 -8.662 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.255 -7.628 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.675 -7.524 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.345 -9.943 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.966 -10.123 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.805 -9.989 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.134 -8.285 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.806 -8.466 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.893 -8.077 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.340 -9.952 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.287 -10.212 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.746 -10.900 -5.022 1.00 0.00 H new ATOM 702 N THR A 46 -11.196 -6.321 -0.201 1.00 0.00 N ATOM 703 CA THR A 46 -11.775 -5.087 0.315 1.00 0.00 C ATOM 704 C THR A 46 -11.528 -3.927 -0.644 1.00 0.00 C ATOM 705 O THR A 46 -10.943 -4.105 -1.713 1.00 0.00 O ATOM 706 CB THR A 46 -11.190 -4.762 1.689 1.00 0.00 C ATOM 707 OG1 THR A 46 -9.798 -5.021 1.717 1.00 0.00 O ATOM 708 CG2 THR A 46 -11.826 -5.552 2.812 1.00 0.00 C ATOM 0 H THR A 46 -10.218 -6.466 0.050 1.00 0.00 H new ATOM 0 HA THR A 46 -12.851 -5.232 0.411 1.00 0.00 H new ATOM 0 HB THR A 46 -11.397 -3.704 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.388 -4.526 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.365 -5.273 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.894 -5.335 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.678 -6.618 2.636 1.00 0.00 H new ATOM 716 N ALA A 47 -11.977 -2.738 -0.255 1.00 0.00 N ATOM 717 CA ALA A 47 -11.805 -1.548 -1.080 1.00 0.00 C ATOM 718 C ALA A 47 -10.352 -1.088 -1.084 1.00 0.00 C ATOM 719 O ALA A 47 -9.846 -0.607 -2.097 1.00 0.00 O ATOM 720 CB ALA A 47 -12.713 -0.431 -0.590 1.00 0.00 C ATOM 0 H ALA A 47 -12.463 -2.573 0.627 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.080 -1.803 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.574 0.451 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.752 -0.756 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.465 -0.187 0.443 1.00 0.00 H new ATOM 726 N LEU A 48 -9.685 -1.237 0.056 1.00 0.00 N ATOM 727 CA LEU A 48 -8.289 -0.835 0.182 1.00 0.00 C ATOM 728 C LEU A 48 -7.382 -1.763 -0.619 1.00 0.00 C ATOM 729 O LEU A 48 -6.348 -1.342 -1.137 1.00 0.00 O ATOM 730 CB LEU A 48 -7.868 -0.832 1.652 1.00 0.00 C ATOM 731 CG LEU A 48 -7.660 0.556 2.261 1.00 0.00 C ATOM 732 CD1 LEU A 48 -8.067 0.562 3.726 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.212 0.996 2.103 1.00 0.00 C ATOM 0 H LEU A 48 -10.088 -1.633 0.905 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.189 0.174 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.626 -1.357 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.942 -1.398 1.751 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.293 1.265 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.912 1.557 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.120 0.292 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.461 -0.159 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.082 1.985 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.559 0.286 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.956 1.032 1.044 1.00 0.00 H new ATOM 745 N GLN A 49 -7.777 -3.029 -0.717 1.00 0.00 N ATOM 746 CA GLN A 49 -6.998 -4.016 -1.455 1.00 0.00 C ATOM 747 C GLN A 49 -7.057 -3.741 -2.955 1.00 0.00 C ATOM 748 O GLN A 49 -6.258 -4.273 -3.726 1.00 0.00 O ATOM 749 CB GLN A 49 -7.513 -5.426 -1.163 1.00 0.00 C ATOM 750 CG GLN A 49 -6.861 -6.501 -2.016 1.00 0.00 C ATOM 751 CD GLN A 49 -6.386 -7.688 -1.198 1.00 0.00 C ATOM 752 OE1 GLN A 49 -6.490 -7.692 0.029 1.00 0.00 O ATOM 753 NE2 GLN A 49 -5.860 -8.701 -1.876 1.00 0.00 N ATOM 0 H GLN A 49 -8.631 -3.394 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.960 -3.942 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.342 -5.655 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.591 -5.451 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.572 -6.844 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.014 -6.071 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.794 -8.654 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.522 -9.526 -1.380 1.00 0.00 H new ATOM 762 N VAL A 50 -8.009 -2.907 -3.361 1.00 0.00 N ATOM 763 CA VAL A 50 -8.172 -2.561 -4.768 1.00 0.00 C ATOM 764 C VAL A 50 -7.778 -1.110 -5.024 1.00 0.00 C ATOM 765 O VAL A 50 -7.432 -0.738 -6.144 1.00 0.00 O ATOM 766 CB VAL A 50 -9.624 -2.776 -5.234 1.00 0.00 C ATOM 767 CG1 VAL A 50 -9.881 -4.248 -5.517 1.00 0.00 C ATOM 768 CG2 VAL A 50 -10.600 -2.245 -4.196 1.00 0.00 C ATOM 0 H VAL A 50 -8.679 -2.459 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.515 -3.220 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.777 -2.221 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.912 -4.381 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.204 -4.592 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.711 -4.828 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.621 -2.405 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.449 -2.770 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.430 -1.179 -4.049 1.00 0.00 H new ATOM 778 N MET A 51 -7.834 -0.296 -3.975 1.00 0.00 N ATOM 779 CA MET A 51 -7.483 1.116 -4.081 1.00 0.00 C ATOM 780 C MET A 51 -6.295 1.312 -5.017 1.00 0.00 C ATOM 781 O MET A 51 -5.229 0.731 -4.813 1.00 0.00 O ATOM 782 CB MET A 51 -7.157 1.687 -2.701 1.00 0.00 C ATOM 783 CG MET A 51 -7.282 3.199 -2.622 1.00 0.00 C ATOM 784 SD MET A 51 -6.672 3.865 -1.062 1.00 0.00 S ATOM 785 CE MET A 51 -4.992 3.248 -1.072 1.00 0.00 C ATOM 0 H MET A 51 -8.119 -0.590 -3.041 1.00 0.00 H new ATOM 0 HA MET A 51 -8.341 1.647 -4.494 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.823 1.237 -1.965 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.141 1.400 -2.429 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.728 3.649 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.327 3.480 -2.749 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.878 2.490 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.772 2.808 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.302 4.069 -0.880 1.00 0.00 H new ATOM 795 N MET A 52 -6.486 2.135 -6.043 1.00 0.00 N ATOM 796 CA MET A 52 -5.428 2.410 -7.009 1.00 0.00 C ATOM 797 C MET A 52 -4.575 3.591 -6.557 1.00 0.00 C ATOM 798 O MET A 52 -3.878 4.212 -7.359 1.00 0.00 O ATOM 799 CB MET A 52 -6.028 2.691 -8.388 1.00 0.00 C ATOM 800 CG MET A 52 -6.569 4.103 -8.542 1.00 0.00 C ATOM 801 SD MET A 52 -5.643 5.074 -9.747 1.00 0.00 S ATOM 802 CE MET A 52 -6.811 6.389 -10.089 1.00 0.00 C ATOM 0 H MET A 52 -7.363 2.623 -6.227 1.00 0.00 H new ATOM 0 HA MET A 52 -4.789 1.529 -7.074 1.00 0.00 H new ATOM 0 HB2 MET A 52 -5.266 2.518 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.833 1.980 -8.576 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.615 4.056 -8.845 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.540 4.607 -7.576 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.413 7.035 -10.871 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.756 5.959 -10.420 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.975 6.974 -9.184 1.00 0.00 H new ATOM 812 N PHE A 53 -4.638 3.896 -5.264 1.00 0.00 N ATOM 813 CA PHE A 53 -3.875 5.001 -4.696 1.00 0.00 C ATOM 814 C PHE A 53 -3.856 6.198 -5.640 1.00 0.00 C ATOM 815 O PHE A 53 -2.897 6.970 -5.659 1.00 0.00 O ATOM 816 CB PHE A 53 -2.445 4.556 -4.385 1.00 0.00 C ATOM 817 CG PHE A 53 -2.375 3.295 -3.570 1.00 0.00 C ATOM 818 CD1 PHE A 53 -2.899 2.103 -4.060 1.00 0.00 C ATOM 819 CD2 PHE A 53 -1.782 3.301 -2.313 1.00 0.00 C ATOM 820 CE1 PHE A 53 -2.833 0.941 -3.307 1.00 0.00 C ATOM 821 CE2 PHE A 53 -1.713 2.142 -1.557 1.00 0.00 C ATOM 822 CZ PHE A 53 -2.254 0.956 -2.062 1.00 0.00 C ATOM 0 H PHE A 53 -5.212 3.391 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.363 5.304 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.908 4.405 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.932 5.355 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.361 2.083 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.370 4.219 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.238 0.021 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.244 2.155 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.217 0.052 -1.473 1.00 0.00 H new ATOM 832 N GLY A 54 -4.922 6.348 -6.418 1.00 0.00 N ATOM 833 CA GLY A 54 -5.009 7.458 -7.348 1.00 0.00 C ATOM 834 C GLY A 54 -5.218 8.780 -6.640 1.00 0.00 C ATOM 835 O GLY A 54 -4.560 9.773 -6.952 1.00 0.00 O ATOM 0 H GLY A 54 -5.727 5.721 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.096 7.506 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.831 7.285 -8.042 1.00 0.00 H new ATOM 839 N SER A 55 -6.135 8.791 -5.677 1.00 0.00 N ATOM 840 CA SER A 55 -6.429 9.996 -4.913 1.00 0.00 C ATOM 841 C SER A 55 -5.903 9.867 -3.487 1.00 0.00 C ATOM 842 O SER A 55 -6.082 8.836 -2.840 1.00 0.00 O ATOM 843 CB SER A 55 -7.936 10.260 -4.891 1.00 0.00 C ATOM 844 OG SER A 55 -8.381 10.776 -6.134 1.00 0.00 O ATOM 0 H SER A 55 -6.687 7.977 -5.408 1.00 0.00 H new ATOM 0 HA SER A 55 -5.931 10.837 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.467 9.335 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.173 10.965 -4.095 1.00 0.00 H new ATOM 0 HG SER A 55 -9.244 10.373 -6.365 1.00 0.00 H new ATOM 850 N PRO A 56 -5.244 10.919 -2.982 1.00 0.00 N ATOM 851 CA PRO A 56 -4.686 10.924 -1.627 1.00 0.00 C ATOM 852 C PRO A 56 -5.770 10.982 -0.555 1.00 0.00 C ATOM 853 O PRO A 56 -5.653 10.350 0.495 1.00 0.00 O ATOM 854 CB PRO A 56 -3.831 12.194 -1.603 1.00 0.00 C ATOM 855 CG PRO A 56 -4.459 13.089 -2.615 1.00 0.00 C ATOM 856 CD PRO A 56 -4.990 12.184 -3.693 1.00 0.00 C ATOM 0 HA PRO A 56 -4.125 10.015 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.830 12.653 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.793 11.978 -1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.260 13.679 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.731 13.793 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.900 12.583 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.269 12.054 -4.500 1.00 0.00 H new ATOM 864 N ALA A 57 -6.824 11.744 -0.827 1.00 0.00 N ATOM 865 CA ALA A 57 -7.930 11.884 0.113 1.00 0.00 C ATOM 866 C ALA A 57 -8.637 10.552 0.341 1.00 0.00 C ATOM 867 O ALA A 57 -9.084 10.259 1.450 1.00 0.00 O ATOM 868 CB ALA A 57 -8.917 12.929 -0.384 1.00 0.00 C ATOM 0 H ALA A 57 -6.936 12.274 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.519 12.212 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.737 13.023 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.411 13.889 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.311 12.625 -1.354 1.00 0.00 H new ATOM 874 N VAL A 58 -8.739 9.749 -0.713 1.00 0.00 N ATOM 875 CA VAL A 58 -9.392 8.456 -0.626 1.00 0.00 C ATOM 876 C VAL A 58 -8.661 7.536 0.345 1.00 0.00 C ATOM 877 O VAL A 58 -9.264 6.651 0.952 1.00 0.00 O ATOM 878 CB VAL A 58 -9.461 7.782 -2.006 1.00 0.00 C ATOM 879 CG1 VAL A 58 -10.014 8.747 -3.044 1.00 0.00 C ATOM 880 CG2 VAL A 58 -8.091 7.267 -2.421 1.00 0.00 C ATOM 0 H VAL A 58 -8.375 9.976 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.404 8.629 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.137 6.929 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.056 8.253 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.017 9.059 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.366 9.621 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.162 6.794 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.389 8.099 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.739 6.539 -1.690 1.00 0.00 H new ATOM 890 N ALA A 59 -7.358 7.754 0.490 1.00 0.00 N ATOM 891 CA ALA A 59 -6.544 6.947 1.391 1.00 0.00 C ATOM 892 C ALA A 59 -6.996 7.119 2.836 1.00 0.00 C ATOM 893 O ALA A 59 -7.395 6.157 3.492 1.00 0.00 O ATOM 894 CB ALA A 59 -5.075 7.317 1.247 1.00 0.00 C ATOM 0 H ALA A 59 -6.844 8.483 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.671 5.899 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.478 6.707 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.754 7.139 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.939 8.370 1.492 1.00 0.00 H new ATOM 900 N LEU A 60 -6.929 8.352 3.327 1.00 0.00 N ATOM 901 CA LEU A 60 -7.330 8.655 4.695 1.00 0.00 C ATOM 902 C LEU A 60 -8.814 8.372 4.904 1.00 0.00 C ATOM 903 O LEU A 60 -9.214 7.843 5.941 1.00 0.00 O ATOM 904 CB LEU A 60 -7.025 10.116 5.025 1.00 0.00 C ATOM 905 CG LEU A 60 -7.551 10.598 6.380 1.00 0.00 C ATOM 906 CD1 LEU A 60 -9.028 10.948 6.287 1.00 0.00 C ATOM 907 CD2 LEU A 60 -7.316 9.540 7.448 1.00 0.00 C ATOM 0 H LEU A 60 -6.600 9.159 2.796 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.760 8.012 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.945 10.261 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.449 10.745 4.243 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.005 11.498 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.383 11.288 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.169 11.740 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.592 10.066 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.696 9.898 8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.836 8.623 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.248 9.340 7.533 1.00 0.00 H new ATOM 919 N GLU A 61 -9.626 8.725 3.914 1.00 0.00 N ATOM 920 CA GLU A 61 -11.065 8.507 3.996 1.00 0.00 C ATOM 921 C GLU A 61 -11.376 7.018 4.099 1.00 0.00 C ATOM 922 O GLU A 61 -12.249 6.606 4.861 1.00 0.00 O ATOM 923 CB GLU A 61 -11.767 9.105 2.774 1.00 0.00 C ATOM 924 CG GLU A 61 -12.538 10.378 3.080 1.00 0.00 C ATOM 925 CD GLU A 61 -11.647 11.603 3.126 1.00 0.00 C ATOM 926 OE1 GLU A 61 -11.031 11.848 4.184 1.00 0.00 O ATOM 927 OE2 GLU A 61 -11.566 12.316 2.104 1.00 0.00 O ATOM 0 H GLU A 61 -9.313 9.162 3.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.435 9.004 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.024 9.316 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.452 8.365 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.309 10.522 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.048 10.268 4.037 1.00 0.00 H new ATOM 934 N LEU A 62 -10.647 6.215 3.334 1.00 0.00 N ATOM 935 CA LEU A 62 -10.839 4.771 3.347 1.00 0.00 C ATOM 936 C LEU A 62 -10.498 4.199 4.720 1.00 0.00 C ATOM 937 O LEU A 62 -11.360 3.654 5.409 1.00 0.00 O ATOM 938 CB LEU A 62 -9.975 4.106 2.273 1.00 0.00 C ATOM 939 CG LEU A 62 -10.637 3.972 0.899 1.00 0.00 C ATOM 940 CD1 LEU A 62 -9.879 2.975 0.036 1.00 0.00 C ATOM 941 CD2 LEU A 62 -12.092 3.555 1.045 1.00 0.00 C ATOM 0 H LEU A 62 -9.919 6.539 2.698 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.887 4.564 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.055 4.680 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.691 3.113 2.621 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.607 4.944 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.364 2.893 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.853 3.316 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.876 2.000 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.546 3.465 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.146 2.595 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.629 4.306 1.624 1.00 0.00 H new ATOM 953 N LEU A 63 -9.233 4.331 5.109 1.00 0.00 N ATOM 954 CA LEU A 63 -8.774 3.831 6.402 1.00 0.00 C ATOM 955 C LEU A 63 -9.469 4.560 7.549 1.00 0.00 C ATOM 956 O LEU A 63 -9.424 4.115 8.696 1.00 0.00 O ATOM 957 CB LEU A 63 -7.259 3.991 6.527 1.00 0.00 C ATOM 958 CG LEU A 63 -6.702 3.763 7.933 1.00 0.00 C ATOM 959 CD1 LEU A 63 -6.770 2.288 8.300 1.00 0.00 C ATOM 960 CD2 LEU A 63 -5.273 4.274 8.031 1.00 0.00 C ATOM 0 H LEU A 63 -8.508 4.779 4.549 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.028 2.773 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.777 3.293 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.986 4.995 6.202 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.314 4.322 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.370 2.144 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.807 1.953 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.182 1.708 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.894 4.103 9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.647 3.744 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.253 5.342 7.812 1.00 0.00 H new ATOM 972 N LYS A 64 -10.107 5.683 7.233 1.00 0.00 N ATOM 973 CA LYS A 64 -10.807 6.472 8.242 1.00 0.00 C ATOM 974 C LYS A 64 -11.953 5.679 8.859 1.00 0.00 C ATOM 975 O LYS A 64 -12.234 5.802 10.050 1.00 0.00 O ATOM 976 CB LYS A 64 -11.341 7.768 7.626 1.00 0.00 C ATOM 977 CG LYS A 64 -12.378 8.470 8.487 1.00 0.00 C ATOM 978 CD LYS A 64 -11.731 9.206 9.649 1.00 0.00 C ATOM 979 CE LYS A 64 -11.483 10.669 9.313 1.00 0.00 C ATOM 980 NZ LYS A 64 -10.180 11.148 9.849 1.00 0.00 N ATOM 0 H LYS A 64 -10.154 6.067 6.289 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.096 6.717 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.507 8.447 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.780 7.544 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.942 9.176 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.090 7.739 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.373 9.137 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.787 8.725 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.501 10.801 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.290 11.277 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.969 12.089 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.231 11.206 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.427 10.484 9.576 1.00 0.00 H new ATOM 994 N GLN A 65 -12.613 4.866 8.040 1.00 0.00 N ATOM 995 CA GLN A 65 -13.730 4.053 8.509 1.00 0.00 C ATOM 996 C GLN A 65 -13.250 2.971 9.470 1.00 0.00 C ATOM 997 O GLN A 65 -14.048 2.354 10.176 1.00 0.00 O ATOM 998 CB GLN A 65 -14.458 3.414 7.325 1.00 0.00 C ATOM 999 CG GLN A 65 -15.920 3.818 7.224 1.00 0.00 C ATOM 1000 CD GLN A 65 -16.761 3.246 8.347 1.00 0.00 C ATOM 1001 OE1 GLN A 65 -16.267 2.496 9.189 1.00 0.00 O ATOM 1002 NE2 GLN A 65 -18.042 3.598 8.367 1.00 0.00 N ATOM 0 H GLN A 65 -12.394 4.753 7.050 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.422 4.706 9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.948 3.691 6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.394 2.329 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.994 4.905 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.321 3.482 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -18.411 4.222 7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -18.657 3.244 9.100 1.00 0.00 H new ATOM 1011 N GLY A 66 -11.941 2.744 9.491 1.00 0.00 N ATOM 1012 CA GLY A 66 -11.377 1.735 10.369 1.00 0.00 C ATOM 1013 C GLY A 66 -11.029 0.456 9.635 1.00 0.00 C ATOM 1014 O GLY A 66 -11.159 -0.638 10.185 1.00 0.00 O ATOM 0 H GLY A 66 -11.260 3.240 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.481 2.132 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.088 1.512 11.164 1.00 0.00 H new ATOM 1018 N ALA A 67 -10.587 0.592 8.390 1.00 0.00 N ATOM 1019 CA ALA A 67 -10.219 -0.563 7.579 1.00 0.00 C ATOM 1020 C ALA A 67 -8.891 -1.155 8.039 1.00 0.00 C ATOM 1021 O ALA A 67 -8.279 -0.667 8.989 1.00 0.00 O ATOM 1022 CB ALA A 67 -10.146 -0.175 6.110 1.00 0.00 C ATOM 0 H ALA A 67 -10.475 1.490 7.920 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.989 -1.324 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.870 -1.047 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.118 0.194 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.397 0.606 5.977 1.00 0.00 H new ATOM 1028 N SER A 68 -8.452 -2.209 7.359 1.00 0.00 N ATOM 1029 CA SER A 68 -7.196 -2.868 7.698 1.00 0.00 C ATOM 1030 C SER A 68 -6.243 -2.872 6.507 1.00 0.00 C ATOM 1031 O SER A 68 -6.293 -3.766 5.661 1.00 0.00 O ATOM 1032 CB SER A 68 -7.457 -4.303 8.161 1.00 0.00 C ATOM 1033 OG SER A 68 -6.252 -5.046 8.229 1.00 0.00 O ATOM 0 H SER A 68 -8.947 -2.625 6.570 1.00 0.00 H new ATOM 0 HA SER A 68 -6.731 -2.310 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.936 -4.291 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.149 -4.790 7.474 1.00 0.00 H new ATOM 0 HG SER A 68 -6.447 -5.958 8.529 1.00 0.00 H new ATOM 1039 N PRO A 69 -5.356 -1.868 6.429 1.00 0.00 N ATOM 1040 CA PRO A 69 -4.383 -1.753 5.339 1.00 0.00 C ATOM 1041 C PRO A 69 -3.546 -3.017 5.179 1.00 0.00 C ATOM 1042 O PRO A 69 -2.915 -3.228 4.142 1.00 0.00 O ATOM 1043 CB PRO A 69 -3.500 -0.578 5.767 1.00 0.00 C ATOM 1044 CG PRO A 69 -4.351 0.221 6.693 1.00 0.00 C ATOM 1045 CD PRO A 69 -5.234 -0.768 7.400 1.00 0.00 C ATOM 0 HA PRO A 69 -4.868 -1.606 4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.593 -0.925 6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.186 0.015 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.739 0.776 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.945 0.952 6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.790 -1.106 8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.205 -0.337 7.644 1.00 0.00 H new ATOM 1053 N ASN A 70 -3.545 -3.853 6.211 1.00 0.00 N ATOM 1054 CA ASN A 70 -2.785 -5.097 6.187 1.00 0.00 C ATOM 1055 C ASN A 70 -3.664 -6.260 5.738 1.00 0.00 C ATOM 1056 O ASN A 70 -3.911 -7.195 6.500 1.00 0.00 O ATOM 1057 CB ASN A 70 -2.200 -5.388 7.571 1.00 0.00 C ATOM 1058 CG ASN A 70 -1.989 -4.127 8.387 1.00 0.00 C ATOM 1059 OD1 ASN A 70 -1.934 -3.025 7.843 1.00 0.00 O ATOM 1060 ND2 ASN A 70 -1.872 -4.285 9.700 1.00 0.00 N ATOM 0 H ASN A 70 -4.062 -3.692 7.075 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.969 -4.984 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.868 -6.059 8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.249 -5.908 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.730 -3.473 10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.924 -5.218 10.108 1.00 0.00 H new ATOM 1067 N VAL A 71 -4.134 -6.195 4.497 1.00 0.00 N ATOM 1068 CA VAL A 71 -4.986 -7.241 3.946 1.00 0.00 C ATOM 1069 C VAL A 71 -4.213 -8.124 2.972 1.00 0.00 C ATOM 1070 O VAL A 71 -3.317 -7.655 2.271 1.00 0.00 O ATOM 1071 CB VAL A 71 -6.209 -6.647 3.223 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -7.272 -6.231 4.226 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.795 -5.470 2.353 1.00 0.00 C ATOM 0 H VAL A 71 -3.939 -5.428 3.854 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.328 -7.845 4.786 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.634 -7.414 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.128 -5.814 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.590 -7.101 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.861 -5.480 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.672 -5.063 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.343 -4.698 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.072 -5.804 1.609 1.00 0.00 H new ATOM 1083 N GLN A 72 -4.566 -9.405 2.935 1.00 0.00 N ATOM 1084 CA GLN A 72 -3.905 -10.355 2.048 1.00 0.00 C ATOM 1085 C GLN A 72 -4.903 -11.363 1.487 1.00 0.00 C ATOM 1086 O GLN A 72 -5.833 -11.780 2.176 1.00 0.00 O ATOM 1087 CB GLN A 72 -2.788 -11.090 2.793 1.00 0.00 C ATOM 1088 CG GLN A 72 -2.010 -10.203 3.751 1.00 0.00 C ATOM 1089 CD GLN A 72 -1.132 -10.997 4.698 1.00 0.00 C ATOM 1090 OE1 GLN A 72 -1.462 -12.122 5.071 1.00 0.00 O ATOM 1091 NE2 GLN A 72 -0.006 -10.414 5.090 1.00 0.00 N ATOM 0 H GLN A 72 -5.306 -9.809 3.509 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.474 -9.796 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.220 -11.921 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.098 -11.518 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.390 -9.513 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.709 -9.599 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.228 -9.479 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.626 -10.901 5.726 1.00 0.00 H new ATOM 1100 N ASP A 73 -4.701 -11.750 0.231 1.00 0.00 N ATOM 1101 CA ASP A 73 -5.582 -12.710 -0.423 1.00 0.00 C ATOM 1102 C ASP A 73 -4.875 -14.046 -0.626 1.00 0.00 C ATOM 1103 O ASP A 73 -3.782 -14.266 -0.104 1.00 0.00 O ATOM 1104 CB ASP A 73 -6.058 -12.162 -1.769 1.00 0.00 C ATOM 1105 CG ASP A 73 -4.905 -11.782 -2.677 1.00 0.00 C ATOM 1106 OD1 ASP A 73 -3.833 -11.415 -2.152 1.00 0.00 O ATOM 1107 OD2 ASP A 73 -5.074 -11.853 -3.912 1.00 0.00 O ATOM 0 H ASP A 73 -3.936 -11.414 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.446 -12.871 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.676 -12.910 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.688 -11.288 -1.601 1.00 0.00 H new ATOM 1112 N ALA A 74 -5.504 -14.935 -1.388 1.00 0.00 N ATOM 1113 CA ALA A 74 -4.932 -16.247 -1.660 1.00 0.00 C ATOM 1114 C ALA A 74 -3.617 -16.126 -2.421 1.00 0.00 C ATOM 1115 O ALA A 74 -3.530 -16.489 -3.595 1.00 0.00 O ATOM 1116 CB ALA A 74 -5.919 -17.102 -2.440 1.00 0.00 C ATOM 0 H ALA A 74 -6.410 -14.770 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.725 -16.730 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.478 -18.079 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.832 -17.226 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.155 -16.614 -3.386 1.00 0.00 H new ATOM 1122 N SER A 75 -2.595 -15.611 -1.745 1.00 0.00 N ATOM 1123 CA SER A 75 -1.281 -15.440 -2.356 1.00 0.00 C ATOM 1124 C SER A 75 -0.314 -14.774 -1.384 1.00 0.00 C ATOM 1125 O SER A 75 0.725 -15.338 -1.041 1.00 0.00 O ATOM 1126 CB SER A 75 -1.394 -14.605 -3.633 1.00 0.00 C ATOM 1127 OG SER A 75 -2.619 -13.894 -3.672 1.00 0.00 O ATOM 0 H SER A 75 -2.651 -15.305 -0.774 1.00 0.00 H new ATOM 0 HA SER A 75 -0.893 -16.427 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.561 -13.904 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.320 -15.256 -4.504 1.00 0.00 H new ATOM 0 HG SER A 75 -2.578 -13.137 -3.052 1.00 0.00 H new ATOM 1133 N GLY A 76 -0.662 -13.568 -0.943 1.00 0.00 N ATOM 1134 CA GLY A 76 0.187 -12.845 -0.014 1.00 0.00 C ATOM 1135 C GLY A 76 0.626 -11.499 -0.557 1.00 0.00 C ATOM 1136 O GLY A 76 1.764 -11.344 -1.003 1.00 0.00 O ATOM 0 H GLY A 76 -1.516 -13.080 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.349 -12.698 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.067 -13.447 0.213 1.00 0.00 H new ATOM 1140 N THR A 77 -0.274 -10.523 -0.518 1.00 0.00 N ATOM 1141 CA THR A 77 0.028 -9.182 -1.008 1.00 0.00 C ATOM 1142 C THR A 77 -1.007 -8.177 -0.515 1.00 0.00 C ATOM 1143 O THR A 77 -2.209 -8.439 -0.550 1.00 0.00 O ATOM 1144 CB THR A 77 0.077 -9.174 -2.536 1.00 0.00 C ATOM 1145 OG1 THR A 77 -0.118 -10.478 -3.053 1.00 0.00 O ATOM 1146 CG2 THR A 77 1.384 -8.651 -3.090 1.00 0.00 C ATOM 0 H THR A 77 -1.219 -10.635 -0.152 1.00 0.00 H new ATOM 0 HA THR A 77 1.004 -8.891 -0.619 1.00 0.00 H new ATOM 0 HB THR A 77 -0.725 -8.504 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.084 -10.450 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.352 -8.672 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.539 -7.626 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.204 -9.277 -2.739 1.00 0.00 H new ATOM 1154 N SER A 78 -0.532 -7.023 -0.057 1.00 0.00 N ATOM 1155 CA SER A 78 -1.416 -5.976 0.444 1.00 0.00 C ATOM 1156 C SER A 78 -1.391 -4.757 -0.474 1.00 0.00 C ATOM 1157 O SER A 78 -0.727 -4.760 -1.510 1.00 0.00 O ATOM 1158 CB SER A 78 -1.011 -5.570 1.861 1.00 0.00 C ATOM 1159 OG SER A 78 -0.045 -6.461 2.393 1.00 0.00 O ATOM 0 H SER A 78 0.460 -6.789 -0.022 1.00 0.00 H new ATOM 0 HA SER A 78 -2.431 -6.373 0.464 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.609 -4.557 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.891 -5.557 2.504 1.00 0.00 H new ATOM 0 HG SER A 78 0.198 -6.177 3.299 1.00 0.00 H new ATOM 1165 N PRO A 79 -2.121 -3.698 -0.098 1.00 0.00 N ATOM 1166 CA PRO A 79 -2.191 -2.460 -0.882 1.00 0.00 C ATOM 1167 C PRO A 79 -0.831 -1.786 -1.023 1.00 0.00 C ATOM 1168 O PRO A 79 -0.496 -1.262 -2.086 1.00 0.00 O ATOM 1169 CB PRO A 79 -3.146 -1.569 -0.076 1.00 0.00 C ATOM 1170 CG PRO A 79 -3.887 -2.501 0.821 1.00 0.00 C ATOM 1171 CD PRO A 79 -2.938 -3.624 1.122 1.00 0.00 C ATOM 0 HA PRO A 79 -2.526 -2.649 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.597 -0.822 0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.828 -1.028 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.199 -1.997 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.791 -2.872 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.331 -3.415 2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.465 -4.559 1.313 1.00 0.00 H new ATOM 1179 N VAL A 80 -0.052 -1.803 0.053 1.00 0.00 N ATOM 1180 CA VAL A 80 1.265 -1.196 0.052 1.00 0.00 C ATOM 1181 C VAL A 80 2.169 -1.840 -0.992 1.00 0.00 C ATOM 1182 O VAL A 80 3.081 -1.203 -1.519 1.00 0.00 O ATOM 1183 CB VAL A 80 1.926 -1.322 1.433 1.00 0.00 C ATOM 1184 CG1 VAL A 80 1.301 -0.345 2.417 1.00 0.00 C ATOM 1185 CG2 VAL A 80 1.823 -2.750 1.947 1.00 0.00 C ATOM 0 H VAL A 80 -0.316 -2.234 0.939 1.00 0.00 H new ATOM 0 HA VAL A 80 1.133 -0.142 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 80 2.982 -1.073 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.783 -0.450 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.435 0.674 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.236 -0.558 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.297 -2.819 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.773 -3.032 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.325 -3.424 1.253 1.00 0.00 H new ATOM 1195 N HIS A 81 1.911 -3.110 -1.285 1.00 0.00 N ATOM 1196 CA HIS A 81 2.700 -3.845 -2.266 1.00 0.00 C ATOM 1197 C HIS A 81 2.573 -3.218 -3.650 1.00 0.00 C ATOM 1198 O HIS A 81 3.538 -2.671 -4.186 1.00 0.00 O ATOM 1199 CB HIS A 81 2.257 -5.309 -2.314 1.00 0.00 C ATOM 1200 CG HIS A 81 3.069 -6.212 -1.438 1.00 0.00 C ATOM 1201 ND1 HIS A 81 2.532 -6.795 -0.317 1.00 0.00 N ATOM 1202 CD2 HIS A 81 4.363 -6.596 -1.562 1.00 0.00 C ATOM 1203 CE1 HIS A 81 3.501 -7.518 0.214 1.00 0.00 C ATOM 1204 NE2 HIS A 81 4.630 -7.430 -0.505 1.00 0.00 N ATOM 0 H HIS A 81 1.161 -3.652 -0.856 1.00 0.00 H new ATOM 0 HA HIS A 81 3.746 -3.798 -1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.211 -5.373 -2.016 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.318 -5.664 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.051 -6.303 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.398 -8.106 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.516 -7.894 -0.305 1.00 0.00 H new ATOM 1212 N ASP A 82 1.378 -3.302 -4.225 1.00 0.00 N ATOM 1213 CA ASP A 82 1.125 -2.745 -5.548 1.00 0.00 C ATOM 1214 C ASP A 82 1.411 -1.247 -5.576 1.00 0.00 C ATOM 1215 O ASP A 82 2.025 -0.740 -6.515 1.00 0.00 O ATOM 1216 CB ASP A 82 -0.321 -3.010 -5.966 1.00 0.00 C ATOM 1217 CG ASP A 82 -0.429 -3.510 -7.394 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -0.033 -4.667 -7.647 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -0.908 -2.745 -8.256 1.00 0.00 O ATOM 0 H ASP A 82 0.569 -3.751 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 82 1.796 -3.234 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.762 -3.745 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.901 -2.093 -5.860 1.00 0.00 H new ATOM 1224 N ALA A 83 0.960 -0.542 -4.544 1.00 0.00 N ATOM 1225 CA ALA A 83 1.166 0.900 -4.456 1.00 0.00 C ATOM 1226 C ALA A 83 2.637 1.257 -4.637 1.00 0.00 C ATOM 1227 O ALA A 83 2.969 2.347 -5.102 1.00 0.00 O ATOM 1228 CB ALA A 83 0.654 1.425 -3.123 1.00 0.00 C ATOM 0 H ALA A 83 0.450 -0.944 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 83 0.603 1.372 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.814 2.502 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.411 1.211 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.192 0.938 -2.309 1.00 0.00 H new ATOM 1234 N ALA A 84 3.513 0.332 -4.265 1.00 0.00 N ATOM 1235 CA ALA A 84 4.949 0.548 -4.385 1.00 0.00 C ATOM 1236 C ALA A 84 5.407 0.464 -5.839 1.00 0.00 C ATOM 1237 O ALA A 84 6.017 1.397 -6.364 1.00 0.00 O ATOM 1238 CB ALA A 84 5.702 -0.464 -3.534 1.00 0.00 C ATOM 0 H ALA A 84 3.254 -0.575 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 84 5.170 1.553 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.774 -0.294 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.409 -0.351 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.463 -1.473 -3.871 1.00 0.00 H new ATOM 1244 N ARG A 85 5.119 -0.665 -6.481 1.00 0.00 N ATOM 1245 CA ARG A 85 5.511 -0.880 -7.871 1.00 0.00 C ATOM 1246 C ARG A 85 4.660 -0.055 -8.835 1.00 0.00 C ATOM 1247 O ARG A 85 5.078 0.221 -9.959 1.00 0.00 O ATOM 1248 CB ARG A 85 5.400 -2.365 -8.227 1.00 0.00 C ATOM 1249 CG ARG A 85 6.151 -3.279 -7.272 1.00 0.00 C ATOM 1250 CD ARG A 85 7.019 -4.276 -8.023 1.00 0.00 C ATOM 1251 NE ARG A 85 6.890 -5.629 -7.489 1.00 0.00 N ATOM 1252 CZ ARG A 85 7.696 -6.633 -7.822 1.00 0.00 C ATOM 1253 NH1 ARG A 85 8.686 -6.432 -8.681 1.00 0.00 N ATOM 1254 NH2 ARG A 85 7.513 -7.836 -7.296 1.00 0.00 N ATOM 0 H ARG A 85 4.615 -1.446 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 85 6.546 -0.554 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.348 -2.650 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.781 -2.517 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.774 -2.680 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.439 -3.815 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.742 -4.275 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.061 -3.963 -7.967 1.00 0.00 H new ATOM 0 HE ARG A 85 6.140 -5.814 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.829 -5.507 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.304 -7.202 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.753 -7.993 -6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.132 -8.605 -7.553 1.00 0.00 H new ATOM 1268 N THR A 86 3.466 0.331 -8.397 1.00 0.00 N ATOM 1269 CA THR A 86 2.568 1.117 -9.236 1.00 0.00 C ATOM 1270 C THR A 86 3.084 2.541 -9.410 1.00 0.00 C ATOM 1271 O THR A 86 3.295 3.004 -10.531 1.00 0.00 O ATOM 1272 CB THR A 86 1.161 1.142 -8.636 1.00 0.00 C ATOM 1273 OG1 THR A 86 1.181 1.700 -7.336 1.00 0.00 O ATOM 1274 CG2 THR A 86 0.529 -0.230 -8.538 1.00 0.00 C ATOM 0 H THR A 86 3.099 0.114 -7.470 1.00 0.00 H new ATOM 0 HA THR A 86 2.529 0.644 -10.217 1.00 0.00 H new ATOM 0 HB THR A 86 0.566 1.751 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.594 2.485 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.467 -0.142 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.454 -0.668 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.144 -0.870 -7.906 1.00 0.00 H new ATOM 1282 N GLY A 87 3.285 3.233 -8.294 1.00 0.00 N ATOM 1283 CA GLY A 87 3.773 4.597 -8.347 1.00 0.00 C ATOM 1284 C GLY A 87 2.741 5.597 -7.866 1.00 0.00 C ATOM 1285 O GLY A 87 2.228 6.398 -8.648 1.00 0.00 O ATOM 0 H GLY A 87 3.119 2.873 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.671 4.683 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.060 4.838 -9.371 1.00 0.00 H new ATOM 1289 N PHE A 88 2.437 5.550 -6.574 1.00 0.00 N ATOM 1290 CA PHE A 88 1.460 6.455 -5.983 1.00 0.00 C ATOM 1291 C PHE A 88 1.920 6.914 -4.604 1.00 0.00 C ATOM 1292 O PHE A 88 1.184 6.808 -3.623 1.00 0.00 O ATOM 1293 CB PHE A 88 0.095 5.773 -5.881 1.00 0.00 C ATOM 1294 CG PHE A 88 -0.595 5.615 -7.206 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -0.731 6.698 -8.066 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -1.107 4.381 -7.593 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -1.367 6.554 -9.290 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -1.743 4.232 -8.814 1.00 0.00 C ATOM 1299 CZ PHE A 88 -1.874 5.319 -9.663 1.00 0.00 C ATOM 0 H PHE A 88 2.854 4.893 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 88 1.369 7.329 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.221 4.790 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.543 6.353 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.337 7.662 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.008 3.531 -6.935 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.467 7.402 -9.951 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.137 3.269 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.371 5.204 -10.615 1.00 0.00 H new ATOM 1309 N LEU A 89 3.146 7.418 -4.542 1.00 0.00 N ATOM 1310 CA LEU A 89 3.720 7.891 -3.288 1.00 0.00 C ATOM 1311 C LEU A 89 2.792 8.886 -2.596 1.00 0.00 C ATOM 1312 O LEU A 89 2.771 8.975 -1.370 1.00 0.00 O ATOM 1313 CB LEU A 89 5.083 8.540 -3.541 1.00 0.00 C ATOM 1314 CG LEU A 89 6.232 7.984 -2.697 1.00 0.00 C ATOM 1315 CD1 LEU A 89 7.469 8.859 -2.839 1.00 0.00 C ATOM 1316 CD2 LEU A 89 5.817 7.875 -1.238 1.00 0.00 C ATOM 0 H LEU A 89 3.764 7.510 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 89 3.847 7.030 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.335 8.420 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.999 9.610 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 89 6.475 6.985 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.276 8.449 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.778 8.885 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.240 9.870 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.646 7.478 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.547 8.862 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.960 7.207 -1.152 1.00 0.00 H new ATOM 1328 N ASP A 90 2.026 9.632 -3.385 1.00 0.00 N ATOM 1329 CA ASP A 90 1.101 10.618 -2.835 1.00 0.00 C ATOM 1330 C ASP A 90 0.081 9.953 -1.919 1.00 0.00 C ATOM 1331 O ASP A 90 0.120 10.127 -0.700 1.00 0.00 O ATOM 1332 CB ASP A 90 0.378 11.370 -3.955 1.00 0.00 C ATOM 1333 CG ASP A 90 0.149 10.509 -5.182 1.00 0.00 C ATOM 1334 OD1 ASP A 90 0.116 9.269 -5.039 1.00 0.00 O ATOM 1335 OD2 ASP A 90 0.003 11.075 -6.286 1.00 0.00 O ATOM 0 H ASP A 90 2.027 9.574 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 90 1.684 11.331 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.582 11.731 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.962 12.247 -4.235 1.00 0.00 H new ATOM 1340 N THR A 91 -0.828 9.190 -2.512 1.00 0.00 N ATOM 1341 CA THR A 91 -1.857 8.496 -1.747 1.00 0.00 C ATOM 1342 C THR A 91 -1.236 7.433 -0.851 1.00 0.00 C ATOM 1343 O THR A 91 -1.679 7.220 0.276 1.00 0.00 O ATOM 1344 CB THR A 91 -2.882 7.858 -2.683 1.00 0.00 C ATOM 1345 OG1 THR A 91 -3.526 8.845 -3.470 1.00 0.00 O ATOM 1346 CG2 THR A 91 -3.955 7.082 -1.952 1.00 0.00 C ATOM 0 H THR A 91 -0.874 9.036 -3.519 1.00 0.00 H new ATOM 0 HA THR A 91 -2.364 9.228 -1.119 1.00 0.00 H new ATOM 0 HB THR A 91 -2.315 7.166 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.529 8.564 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.651 6.655 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.495 6.281 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.494 7.751 -1.281 1.00 0.00 H new ATOM 1354 N LEU A 92 -0.203 6.769 -1.359 1.00 0.00 N ATOM 1355 CA LEU A 92 0.479 5.732 -0.597 1.00 0.00 C ATOM 1356 C LEU A 92 0.898 6.266 0.766 1.00 0.00 C ATOM 1357 O LEU A 92 0.637 5.643 1.794 1.00 0.00 O ATOM 1358 CB LEU A 92 1.705 5.227 -1.359 1.00 0.00 C ATOM 1359 CG LEU A 92 2.297 3.918 -0.833 1.00 0.00 C ATOM 1360 CD1 LEU A 92 1.190 2.914 -0.541 1.00 0.00 C ATOM 1361 CD2 LEU A 92 3.293 3.345 -1.830 1.00 0.00 C ATOM 0 H LEU A 92 0.178 6.930 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.212 4.901 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.433 5.091 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.477 5.996 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 92 2.826 4.126 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.628 1.988 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.515 3.325 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.634 2.709 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.704 2.414 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.789 3.150 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.100 4.060 -1.989 1.00 0.00 H new ATOM 1373 N LYS A 93 1.544 7.426 0.765 1.00 0.00 N ATOM 1374 CA LYS A 93 1.994 8.048 2.002 1.00 0.00 C ATOM 1375 C LYS A 93 0.838 8.199 2.982 1.00 0.00 C ATOM 1376 O LYS A 93 0.988 7.954 4.174 1.00 0.00 O ATOM 1377 CB LYS A 93 2.613 9.418 1.713 1.00 0.00 C ATOM 1378 CG LYS A 93 3.969 9.625 2.370 1.00 0.00 C ATOM 1379 CD LYS A 93 5.099 9.135 1.482 1.00 0.00 C ATOM 1380 CE LYS A 93 5.713 10.272 0.682 1.00 0.00 C ATOM 1381 NZ LYS A 93 5.977 11.469 1.527 1.00 0.00 N ATOM 0 H LYS A 93 1.767 7.954 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 93 2.749 7.403 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.719 9.539 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.930 10.195 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.110 10.683 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.998 9.095 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.867 8.664 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.723 8.371 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.646 9.935 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.043 10.544 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.785 11.996 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.136 12.081 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.194 11.167 2.498 1.00 0.00 H new ATOM 1395 N VAL A 94 -0.318 8.608 2.473 1.00 0.00 N ATOM 1396 CA VAL A 94 -1.494 8.792 3.312 1.00 0.00 C ATOM 1397 C VAL A 94 -1.792 7.543 4.136 1.00 0.00 C ATOM 1398 O VAL A 94 -1.821 7.592 5.365 1.00 0.00 O ATOM 1399 CB VAL A 94 -2.735 9.149 2.471 1.00 0.00 C ATOM 1400 CG1 VAL A 94 -3.906 9.514 3.371 1.00 0.00 C ATOM 1401 CG2 VAL A 94 -2.418 10.282 1.509 1.00 0.00 C ATOM 0 H VAL A 94 -0.465 8.818 1.486 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.270 9.619 3.986 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.018 8.274 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.772 9.763 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.148 8.668 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.638 10.373 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.306 10.521 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.108 11.162 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.613 9.977 0.840 1.00 0.00 H new ATOM 1411 N LEU A 95 -2.016 6.425 3.452 1.00 0.00 N ATOM 1412 CA LEU A 95 -2.315 5.164 4.124 1.00 0.00 C ATOM 1413 C LEU A 95 -1.079 4.608 4.824 1.00 0.00 C ATOM 1414 O LEU A 95 -1.163 4.102 5.944 1.00 0.00 O ATOM 1415 CB LEU A 95 -2.854 4.142 3.120 1.00 0.00 C ATOM 1416 CG LEU A 95 -1.876 3.748 2.010 1.00 0.00 C ATOM 1417 CD1 LEU A 95 -1.201 2.425 2.340 1.00 0.00 C ATOM 1418 CD2 LEU A 95 -2.593 3.666 0.672 1.00 0.00 C ATOM 0 H LEU A 95 -1.996 6.366 2.434 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.077 5.357 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.147 3.243 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.757 4.546 2.662 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.107 4.517 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.509 2.160 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.653 2.520 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.957 1.646 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.882 3.385 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.384 2.918 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.028 4.636 0.432 1.00 0.00 H new ATOM 1430 N VAL A 96 0.068 4.705 4.159 1.00 0.00 N ATOM 1431 CA VAL A 96 1.321 4.211 4.719 1.00 0.00 C ATOM 1432 C VAL A 96 1.744 5.042 5.927 1.00 0.00 C ATOM 1433 O VAL A 96 1.956 4.511 7.018 1.00 0.00 O ATOM 1434 CB VAL A 96 2.448 4.219 3.654 1.00 0.00 C ATOM 1435 CG1 VAL A 96 3.821 4.460 4.277 1.00 0.00 C ATOM 1436 CG2 VAL A 96 2.444 2.913 2.883 1.00 0.00 C ATOM 0 H VAL A 96 0.156 5.121 3.232 1.00 0.00 H new ATOM 0 HA VAL A 96 1.153 3.184 5.042 1.00 0.00 H new ATOM 0 HB VAL A 96 2.250 5.045 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.581 4.458 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.826 5.424 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.038 3.670 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.239 2.928 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.608 2.084 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.482 2.787 2.385 1.00 0.00 H new ATOM 1446 N GLU A 97 1.874 6.344 5.720 1.00 0.00 N ATOM 1447 CA GLU A 97 2.282 7.249 6.783 1.00 0.00 C ATOM 1448 C GLU A 97 1.401 7.079 8.015 1.00 0.00 C ATOM 1449 O GLU A 97 1.844 7.298 9.143 1.00 0.00 O ATOM 1450 CB GLU A 97 2.226 8.701 6.298 1.00 0.00 C ATOM 1451 CG GLU A 97 0.834 9.309 6.343 1.00 0.00 C ATOM 1452 CD GLU A 97 0.727 10.446 7.341 1.00 0.00 C ATOM 1453 OE1 GLU A 97 0.659 10.165 8.556 1.00 0.00 O ATOM 1454 OE2 GLU A 97 0.710 11.617 6.906 1.00 0.00 O ATOM 0 H GLU A 97 1.702 6.798 4.823 1.00 0.00 H new ATOM 0 HA GLU A 97 3.308 7.004 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.896 9.305 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.600 8.747 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.569 9.675 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.111 8.535 6.601 1.00 0.00 H new ATOM 1461 N HIS A 98 0.149 6.690 7.795 1.00 0.00 N ATOM 1462 CA HIS A 98 -0.795 6.493 8.888 1.00 0.00 C ATOM 1463 C HIS A 98 -0.301 5.415 9.847 1.00 0.00 C ATOM 1464 O HIS A 98 -0.560 5.474 11.050 1.00 0.00 O ATOM 1465 CB HIS A 98 -2.171 6.115 8.339 1.00 0.00 C ATOM 1466 CG HIS A 98 -3.305 6.548 9.214 1.00 0.00 C ATOM 1467 ND1 HIS A 98 -3.318 6.270 10.559 1.00 0.00 N ATOM 1468 CD2 HIS A 98 -4.431 7.230 8.892 1.00 0.00 C ATOM 1469 CE1 HIS A 98 -4.442 6.785 11.024 1.00 0.00 C ATOM 1470 NE2 HIS A 98 -5.151 7.377 10.050 1.00 0.00 N ATOM 0 H HIS A 98 -0.235 6.505 6.868 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.877 7.431 9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.294 6.561 7.352 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.216 5.034 8.208 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -2.606 5.769 11.090 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.708 7.589 7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.752 6.736 12.058 1.00 0.00 H new ATOM 1478 N GLY A 99 0.410 4.430 9.308 1.00 0.00 N ATOM 1479 CA GLY A 99 0.927 3.353 10.131 1.00 0.00 C ATOM 1480 C GLY A 99 0.695 1.988 9.514 1.00 0.00 C ATOM 1481 O GLY A 99 1.161 0.976 10.036 1.00 0.00 O ATOM 0 H GLY A 99 0.637 4.359 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.996 3.501 10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.453 3.390 11.112 1.00 0.00 H new ATOM 1485 N ALA A 100 -0.029 1.959 8.399 1.00 0.00 N ATOM 1486 CA ALA A 100 -0.322 0.708 7.711 1.00 0.00 C ATOM 1487 C ALA A 100 0.930 -0.152 7.582 1.00 0.00 C ATOM 1488 O ALA A 100 2.023 0.360 7.337 1.00 0.00 O ATOM 1489 CB ALA A 100 -0.916 0.988 6.338 1.00 0.00 C ATOM 0 H ALA A 100 -0.423 2.788 7.954 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.051 0.156 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.130 0.045 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.839 1.557 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.205 1.563 5.744 1.00 0.00 H new ATOM 1495 N ASP A 101 0.765 -1.460 7.749 1.00 0.00 N ATOM 1496 CA ASP A 101 1.885 -2.388 7.651 1.00 0.00 C ATOM 1497 C ASP A 101 2.651 -2.182 6.348 1.00 0.00 C ATOM 1498 O ASP A 101 2.055 -1.952 5.296 1.00 0.00 O ATOM 1499 CB ASP A 101 1.387 -3.832 7.741 1.00 0.00 C ATOM 1500 CG ASP A 101 0.392 -4.170 6.649 1.00 0.00 C ATOM 1501 OD1 ASP A 101 -0.499 -3.339 6.379 1.00 0.00 O ATOM 1502 OD2 ASP A 101 0.505 -5.268 6.062 1.00 0.00 O ATOM 0 H ASP A 101 -0.132 -1.901 7.953 1.00 0.00 H new ATOM 0 HA ASP A 101 2.561 -2.191 8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.237 -4.511 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.923 -3.993 8.714 1.00 0.00 H new ATOM 1507 N VAL A 102 3.975 -2.265 6.425 1.00 0.00 N ATOM 1508 CA VAL A 102 4.821 -2.086 5.251 1.00 0.00 C ATOM 1509 C VAL A 102 5.995 -3.059 5.262 1.00 0.00 C ATOM 1510 O VAL A 102 6.947 -2.907 4.495 1.00 0.00 O ATOM 1511 CB VAL A 102 5.362 -0.646 5.163 1.00 0.00 C ATOM 1512 CG1 VAL A 102 4.442 0.219 4.317 1.00 0.00 C ATOM 1513 CG2 VAL A 102 5.535 -0.056 6.553 1.00 0.00 C ATOM 0 H VAL A 102 4.485 -2.455 7.288 1.00 0.00 H new ATOM 0 HA VAL A 102 4.197 -2.286 4.380 1.00 0.00 H new ATOM 0 HB VAL A 102 6.340 -0.672 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.840 1.232 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.376 -0.196 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.449 0.241 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.918 0.961 6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.573 -0.042 7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.239 -0.664 7.121 1.00 0.00 H new ATOM 1523 N ASN A 103 5.924 -4.057 6.136 1.00 0.00 N ATOM 1524 CA ASN A 103 6.982 -5.054 6.245 1.00 0.00 C ATOM 1525 C ASN A 103 6.539 -6.389 5.654 1.00 0.00 C ATOM 1526 O ASN A 103 7.234 -7.396 5.782 1.00 0.00 O ATOM 1527 CB ASN A 103 7.387 -5.241 7.707 1.00 0.00 C ATOM 1528 CG ASN A 103 7.139 -3.998 8.540 1.00 0.00 C ATOM 1529 OD1 ASN A 103 5.995 -3.659 8.845 1.00 0.00 O ATOM 1530 ND2 ASN A 103 8.213 -3.312 8.914 1.00 0.00 N ATOM 0 H ASN A 103 5.145 -4.197 6.779 1.00 0.00 H new ATOM 0 HA ASN A 103 7.842 -4.695 5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.830 -6.076 8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.444 -5.504 7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 103 8.108 -2.468 9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.142 -3.629 8.639 1.00 0.00 H new ATOM 1537 N ALA A 104 5.377 -6.391 5.007 1.00 0.00 N ATOM 1538 CA ALA A 104 4.844 -7.603 4.398 1.00 0.00 C ATOM 1539 C ALA A 104 5.465 -7.847 3.028 1.00 0.00 C ATOM 1540 O ALA A 104 5.618 -6.920 2.231 1.00 0.00 O ATOM 1541 CB ALA A 104 3.330 -7.515 4.287 1.00 0.00 C ATOM 0 H ALA A 104 4.788 -5.567 4.892 1.00 0.00 H new ATOM 0 HA ALA A 104 5.101 -8.446 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.945 -8.427 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.899 -7.397 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.060 -6.658 3.670 1.00 0.00 H new ATOM 1547 N LEU A 105 5.822 -9.098 2.758 1.00 0.00 N ATOM 1548 CA LEU A 105 6.428 -9.464 1.483 1.00 0.00 C ATOM 1549 C LEU A 105 5.441 -10.233 0.611 1.00 0.00 C ATOM 1550 O LEU A 105 4.391 -10.672 1.081 1.00 0.00 O ATOM 1551 CB LEU A 105 7.684 -10.304 1.715 1.00 0.00 C ATOM 1552 CG LEU A 105 8.338 -10.124 3.086 1.00 0.00 C ATOM 1553 CD1 LEU A 105 9.428 -11.163 3.298 1.00 0.00 C ATOM 1554 CD2 LEU A 105 8.903 -8.719 3.226 1.00 0.00 C ATOM 0 H LEU A 105 5.702 -9.877 3.406 1.00 0.00 H new ATOM 0 HA LEU A 105 6.704 -8.546 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.428 -11.356 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.415 -10.057 0.945 1.00 0.00 H new ATOM 0 HG LEU A 105 7.576 -10.266 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.882 -11.019 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.995 -12.162 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.190 -11.054 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.364 -8.609 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.651 -8.549 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.099 -7.991 3.119 1.00 0.00 H new ATOM 1566 N ASP A 106 5.786 -10.391 -0.663 1.00 0.00 N ATOM 1567 CA ASP A 106 4.934 -11.104 -1.603 1.00 0.00 C ATOM 1568 C ASP A 106 5.264 -12.593 -1.620 1.00 0.00 C ATOM 1569 O ASP A 106 6.013 -13.083 -0.774 1.00 0.00 O ATOM 1570 CB ASP A 106 5.089 -10.519 -3.007 1.00 0.00 C ATOM 1571 CG ASP A 106 6.513 -10.617 -3.521 1.00 0.00 C ATOM 1572 OD1 ASP A 106 6.907 -11.711 -3.976 1.00 0.00 O ATOM 1573 OD2 ASP A 106 7.235 -9.598 -3.468 1.00 0.00 O ATOM 0 H ASP A 106 6.652 -10.033 -1.067 1.00 0.00 H new ATOM 0 HA ASP A 106 3.900 -10.985 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 106 4.422 -11.043 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 106 4.780 -9.474 -2.998 1.00 0.00 H new ATOM 1578 N SER A 107 4.701 -13.307 -2.588 1.00 0.00 N ATOM 1579 CA SER A 107 4.934 -14.740 -2.719 1.00 0.00 C ATOM 1580 C SER A 107 6.424 -15.039 -2.851 1.00 0.00 C ATOM 1581 O SER A 107 6.867 -16.159 -2.595 1.00 0.00 O ATOM 1582 CB SER A 107 4.183 -15.294 -3.932 1.00 0.00 C ATOM 1583 OG SER A 107 3.093 -14.458 -4.282 1.00 0.00 O ATOM 0 H SER A 107 4.079 -12.916 -3.295 1.00 0.00 H new ATOM 0 HA SER A 107 4.561 -15.226 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.865 -15.381 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.820 -16.298 -3.711 1.00 0.00 H new ATOM 0 HG SER A 107 2.630 -14.832 -5.061 1.00 0.00 H new ATOM 1589 N THR A 108 7.191 -14.032 -3.254 1.00 0.00 N ATOM 1590 CA THR A 108 8.631 -14.188 -3.420 1.00 0.00 C ATOM 1591 C THR A 108 9.369 -13.854 -2.127 1.00 0.00 C ATOM 1592 O THR A 108 10.573 -14.085 -2.012 1.00 0.00 O ATOM 1593 CB THR A 108 9.133 -13.294 -4.554 1.00 0.00 C ATOM 1594 OG1 THR A 108 8.189 -13.243 -5.608 1.00 0.00 O ATOM 1595 CG2 THR A 108 10.449 -13.757 -5.141 1.00 0.00 C ATOM 0 H THR A 108 6.840 -13.099 -3.472 1.00 0.00 H new ATOM 0 HA THR A 108 8.832 -15.229 -3.671 1.00 0.00 H new ATOM 0 HB THR A 108 9.277 -12.311 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.536 -12.535 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.749 -13.080 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.213 -13.762 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.334 -14.764 -5.543 1.00 0.00 H new ATOM 1603 N GLY A 109 8.641 -13.306 -1.159 1.00 0.00 N ATOM 1604 CA GLY A 109 9.244 -12.950 0.111 1.00 0.00 C ATOM 1605 C GLY A 109 10.151 -11.741 0.002 1.00 0.00 C ATOM 1606 O GLY A 109 11.238 -11.717 0.578 1.00 0.00 O ATOM 0 H GLY A 109 7.644 -13.102 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.458 -12.747 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.817 -13.797 0.488 1.00 0.00 H new ATOM 1610 N SER A 110 9.703 -10.734 -0.742 1.00 0.00 N ATOM 1611 CA SER A 110 10.482 -9.515 -0.925 1.00 0.00 C ATOM 1612 C SER A 110 9.728 -8.300 -0.394 1.00 0.00 C ATOM 1613 O SER A 110 8.572 -8.068 -0.749 1.00 0.00 O ATOM 1614 CB SER A 110 10.814 -9.316 -2.405 1.00 0.00 C ATOM 1615 OG SER A 110 12.014 -9.985 -2.755 1.00 0.00 O ATOM 0 H SER A 110 8.806 -10.738 -1.227 1.00 0.00 H new ATOM 0 HA SER A 110 11.409 -9.619 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.994 -9.690 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.912 -8.252 -2.619 1.00 0.00 H new ATOM 1621 N LEU A 111 10.392 -7.526 0.459 1.00 0.00 N ATOM 1622 CA LEU A 111 9.787 -6.333 1.041 1.00 0.00 C ATOM 1623 C LEU A 111 9.385 -5.344 -0.048 1.00 0.00 C ATOM 1624 O LEU A 111 10.015 -5.277 -1.104 1.00 0.00 O ATOM 1625 CB LEU A 111 10.761 -5.668 2.015 1.00 0.00 C ATOM 1626 CG LEU A 111 10.350 -5.736 3.487 1.00 0.00 C ATOM 1627 CD1 LEU A 111 11.555 -6.048 4.362 1.00 0.00 C ATOM 1628 CD2 LEU A 111 9.698 -4.431 3.917 1.00 0.00 C ATOM 0 H LEU A 111 11.349 -7.704 0.763 1.00 0.00 H new ATOM 0 HA LEU A 111 8.891 -6.635 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.739 -6.137 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.875 -4.621 1.733 1.00 0.00 H new ATOM 0 HG LEU A 111 9.623 -6.539 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.245 -6.093 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.979 -7.008 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.305 -5.267 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.412 -4.496 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.403 -3.611 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.811 -4.250 3.309 1.00 0.00 H new ATOM 1640 N PRO A 112 8.327 -4.559 0.198 1.00 0.00 N ATOM 1641 CA PRO A 112 7.838 -3.565 -0.762 1.00 0.00 C ATOM 1642 C PRO A 112 8.949 -2.642 -1.249 1.00 0.00 C ATOM 1643 O PRO A 112 8.917 -2.157 -2.380 1.00 0.00 O ATOM 1644 CB PRO A 112 6.798 -2.777 0.038 1.00 0.00 C ATOM 1645 CG PRO A 112 6.334 -3.725 1.090 1.00 0.00 C ATOM 1646 CD PRO A 112 7.524 -4.577 1.434 1.00 0.00 C ATOM 0 HA PRO A 112 7.436 -4.029 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.233 -1.879 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 112 5.972 -2.453 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 112 5.972 -3.188 1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 112 5.508 -4.337 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.079 -4.170 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.228 -5.590 1.706 1.00 0.00 H new ATOM 1654 N ILE A 113 9.933 -2.405 -0.387 1.00 0.00 N ATOM 1655 CA ILE A 113 11.057 -1.543 -0.729 1.00 0.00 C ATOM 1656 C ILE A 113 11.968 -2.212 -1.751 1.00 0.00 C ATOM 1657 O ILE A 113 12.574 -1.544 -2.590 1.00 0.00 O ATOM 1658 CB ILE A 113 11.885 -1.180 0.517 1.00 0.00 C ATOM 1659 CG1 ILE A 113 13.085 -0.316 0.126 1.00 0.00 C ATOM 1660 CG2 ILE A 113 12.344 -2.441 1.234 1.00 0.00 C ATOM 1661 CD1 ILE A 113 13.766 0.346 1.303 1.00 0.00 C ATOM 0 H ILE A 113 9.974 -2.798 0.553 1.00 0.00 H new ATOM 0 HA ILE A 113 10.639 -0.632 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 113 11.256 -0.607 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 113 13.811 -0.935 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.755 0.454 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.928 -2.168 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.474 -3.021 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.959 -3.039 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 113 14.607 0.942 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.055 0.992 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 113 14.127 -0.418 1.991 1.00 0.00 H new ATOM 1673 N HIS A 114 12.061 -3.536 -1.676 1.00 0.00 N ATOM 1674 CA HIS A 114 12.898 -4.298 -2.595 1.00 0.00 C ATOM 1675 C HIS A 114 12.419 -4.132 -4.033 1.00 0.00 C ATOM 1676 O HIS A 114 13.224 -4.081 -4.962 1.00 0.00 O ATOM 1677 CB HIS A 114 12.897 -5.777 -2.208 1.00 0.00 C ATOM 1678 CG HIS A 114 13.541 -6.047 -0.884 1.00 0.00 C ATOM 1679 ND1 HIS A 114 12.976 -6.904 0.028 1.00 0.00 N ATOM 1680 CD2 HIS A 114 14.693 -5.550 -0.372 1.00 0.00 C ATOM 1681 CE1 HIS A 114 13.788 -6.910 1.069 1.00 0.00 C ATOM 1682 NE2 HIS A 114 14.843 -6.104 0.873 1.00 0.00 N ATOM 0 H HIS A 114 11.566 -4.103 -0.988 1.00 0.00 H new ATOM 0 HA HIS A 114 13.916 -3.913 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 114 11.869 -6.137 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 114 13.416 -6.347 -2.979 1.00 0.00 H new ATOM 0 HD2 HIS A 114 15.363 -4.852 -0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 114 13.624 -7.490 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 114 15.609 -5.936 1.525 1.00 0.00 H new ATOM 1690 N LEU A 115 11.105 -4.047 -4.208 1.00 0.00 N ATOM 1691 CA LEU A 115 10.523 -3.883 -5.535 1.00 0.00 C ATOM 1692 C LEU A 115 10.754 -2.467 -6.052 1.00 0.00 C ATOM 1693 O LEU A 115 11.098 -2.269 -7.217 1.00 0.00 O ATOM 1694 CB LEU A 115 9.023 -4.190 -5.508 1.00 0.00 C ATOM 1695 CG LEU A 115 8.543 -4.993 -4.296 1.00 0.00 C ATOM 1696 CD1 LEU A 115 7.062 -5.314 -4.426 1.00 0.00 C ATOM 1697 CD2 LEU A 115 9.356 -6.269 -4.144 1.00 0.00 C ATOM 0 H LEU A 115 10.424 -4.089 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 115 11.013 -4.587 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.475 -3.248 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.765 -4.740 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 115 8.688 -4.388 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.736 -5.885 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.493 -4.386 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.895 -5.901 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.000 -6.826 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.244 -6.880 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.407 -6.016 -4.006 1.00 0.00 H new ATOM 1709 N ALA A 116 10.564 -1.486 -5.176 1.00 0.00 N ATOM 1710 CA ALA A 116 10.755 -0.091 -5.542 1.00 0.00 C ATOM 1711 C ALA A 116 12.156 0.135 -6.097 1.00 0.00 C ATOM 1712 O ALA A 116 12.338 0.865 -7.069 1.00 0.00 O ATOM 1713 CB ALA A 116 10.502 0.811 -4.344 1.00 0.00 C ATOM 0 H ALA A 116 10.278 -1.633 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 116 10.036 0.160 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.649 1.851 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.479 0.673 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.197 0.556 -3.544 1.00 0.00 H new ATOM 1719 N ILE A 117 13.142 -0.504 -5.477 1.00 0.00 N ATOM 1720 CA ILE A 117 14.527 -0.378 -5.916 1.00 0.00 C ATOM 1721 C ILE A 117 14.680 -0.852 -7.355 1.00 0.00 C ATOM 1722 O ILE A 117 15.385 -0.233 -8.153 1.00 0.00 O ATOM 1723 CB ILE A 117 15.479 -1.190 -5.018 1.00 0.00 C ATOM 1724 CG1 ILE A 117 15.498 -0.610 -3.604 1.00 0.00 C ATOM 1725 CG2 ILE A 117 16.879 -1.206 -5.613 1.00 0.00 C ATOM 1726 CD1 ILE A 117 16.179 -1.505 -2.593 1.00 0.00 C ATOM 0 H ILE A 117 13.008 -1.114 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 117 14.791 0.677 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 117 15.118 -2.217 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 117 16.005 0.355 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 117 14.473 -0.426 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 117 17.542 -1.783 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 117 16.848 -1.661 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 117 17.251 -0.185 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 117 16.155 -1.030 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 117 15.659 -2.462 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 117 17.214 -1.669 -2.892 1.00 0.00 H new ATOM 1738 N ARG A 118 14.013 -1.955 -7.680 1.00 0.00 N ATOM 1739 CA ARG A 118 14.072 -2.516 -9.024 1.00 0.00 C ATOM 1740 C ARG A 118 13.272 -1.668 -10.010 1.00 0.00 C ATOM 1741 O ARG A 118 13.262 -1.941 -11.209 1.00 0.00 O ATOM 1742 CB ARG A 118 13.543 -3.950 -9.022 1.00 0.00 C ATOM 1743 CG ARG A 118 13.745 -4.670 -7.698 1.00 0.00 C ATOM 1744 CD ARG A 118 14.085 -6.137 -7.907 1.00 0.00 C ATOM 1745 NE ARG A 118 12.890 -6.974 -7.958 1.00 0.00 N ATOM 1746 CZ ARG A 118 12.829 -8.133 -8.606 1.00 0.00 C ATOM 1747 NH1 ARG A 118 13.893 -8.590 -9.250 1.00 0.00 N ATOM 1748 NH2 ARG A 118 11.705 -8.836 -8.609 1.00 0.00 N ATOM 0 H ARG A 118 13.425 -2.478 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 118 15.115 -2.518 -9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.479 -3.937 -9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 118 14.040 -4.513 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.545 -4.186 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.840 -4.587 -7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.647 -6.250 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.732 -6.478 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 118 12.055 -6.651 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.760 -8.052 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.845 -9.479 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 118 10.884 -8.488 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.661 -9.725 -9.107 1.00 0.00 H new ATOM 1762 N GLU A 119 12.601 -0.640 -9.499 1.00 0.00 N ATOM 1763 CA GLU A 119 11.798 0.240 -10.342 1.00 0.00 C ATOM 1764 C GLU A 119 12.324 1.672 -10.299 1.00 0.00 C ATOM 1765 O GLU A 119 12.459 2.324 -11.335 1.00 0.00 O ATOM 1766 CB GLU A 119 10.334 0.210 -9.900 1.00 0.00 C ATOM 1767 CG GLU A 119 9.868 -1.157 -9.428 1.00 0.00 C ATOM 1768 CD GLU A 119 8.956 -1.840 -10.429 1.00 0.00 C ATOM 1769 OE1 GLU A 119 8.671 -1.234 -11.482 1.00 0.00 O ATOM 1770 OE2 GLU A 119 8.525 -2.980 -10.158 1.00 0.00 O ATOM 0 H GLU A 119 12.597 -0.396 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 119 11.869 -0.122 -11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.192 0.931 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.706 0.532 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.737 -1.789 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.344 -1.050 -8.478 1.00 0.00 H new ATOM 1777 N GLY A 120 12.610 2.158 -9.097 1.00 0.00 N ATOM 1778 CA GLY A 120 13.110 3.512 -8.944 1.00 0.00 C ATOM 1779 C GLY A 120 12.019 4.547 -9.130 1.00 0.00 C ATOM 1780 O GLY A 120 12.265 5.633 -9.655 1.00 0.00 O ATOM 0 H GLY A 120 12.505 1.639 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 120 13.551 3.625 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 120 13.904 3.689 -9.669 1.00 0.00 H new ATOM 1784 N HIS A 121 10.809 4.204 -8.701 1.00 0.00 N ATOM 1785 CA HIS A 121 9.667 5.102 -8.822 1.00 0.00 C ATOM 1786 C HIS A 121 9.833 6.330 -7.932 1.00 0.00 C ATOM 1787 O HIS A 121 9.321 6.370 -6.814 1.00 0.00 O ATOM 1788 CB HIS A 121 8.377 4.366 -8.458 1.00 0.00 C ATOM 1789 CG HIS A 121 7.751 3.645 -9.611 1.00 0.00 C ATOM 1790 ND1 HIS A 121 7.388 4.308 -10.757 1.00 0.00 N ATOM 1791 CD2 HIS A 121 7.449 2.331 -9.744 1.00 0.00 C ATOM 1792 CE1 HIS A 121 6.874 3.391 -11.558 1.00 0.00 C ATOM 1793 NE2 HIS A 121 6.891 2.176 -10.987 1.00 0.00 N ATOM 0 H HIS A 121 10.594 3.307 -8.265 1.00 0.00 H new ATOM 0 HA HIS A 121 9.611 5.437 -9.858 1.00 0.00 H new ATOM 0 HB2 HIS A 121 8.589 3.649 -7.665 1.00 0.00 H new ATOM 0 HB3 HIS A 121 7.661 5.083 -8.057 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.616 1.555 -9.012 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.489 3.593 -12.547 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.554 1.306 -11.398 1.00 0.00 H new ATOM 1801 N SER A 122 10.544 7.331 -8.439 1.00 0.00 N ATOM 1802 CA SER A 122 10.768 8.562 -7.689 1.00 0.00 C ATOM 1803 C SER A 122 11.340 8.263 -6.303 1.00 0.00 C ATOM 1804 O SER A 122 12.099 7.310 -6.130 1.00 0.00 O ATOM 1805 CB SER A 122 9.459 9.345 -7.566 1.00 0.00 C ATOM 1806 OG SER A 122 9.679 10.618 -6.984 1.00 0.00 O ATOM 0 H SER A 122 10.974 7.315 -9.364 1.00 0.00 H new ATOM 0 HA SER A 122 11.495 9.167 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 122 9.009 9.465 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.750 8.782 -6.959 1.00 0.00 H new ATOM 0 HG SER A 122 8.828 11.099 -6.918 1.00 0.00 H new ATOM 1812 N SER A 123 10.975 9.085 -5.319 1.00 0.00 N ATOM 1813 CA SER A 123 11.457 8.909 -3.952 1.00 0.00 C ATOM 1814 C SER A 123 10.788 7.719 -3.263 1.00 0.00 C ATOM 1815 O SER A 123 11.017 7.474 -2.079 1.00 0.00 O ATOM 1816 CB SER A 123 11.215 10.181 -3.139 1.00 0.00 C ATOM 1817 OG SER A 123 12.010 11.252 -3.617 1.00 0.00 O ATOM 0 H SER A 123 10.347 9.879 -5.445 1.00 0.00 H new ATOM 0 HA SER A 123 12.527 8.708 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 123 10.161 10.455 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 123 11.444 9.994 -2.090 1.00 0.00 H new ATOM 0 HG SER A 123 11.835 12.054 -3.081 1.00 0.00 H new ATOM 1823 N VAL A 124 9.962 6.981 -4.002 1.00 0.00 N ATOM 1824 CA VAL A 124 9.274 5.824 -3.440 1.00 0.00 C ATOM 1825 C VAL A 124 10.264 4.881 -2.766 1.00 0.00 C ATOM 1826 O VAL A 124 10.178 4.636 -1.563 1.00 0.00 O ATOM 1827 CB VAL A 124 8.498 5.051 -4.524 1.00 0.00 C ATOM 1828 CG1 VAL A 124 8.035 3.703 -3.991 1.00 0.00 C ATOM 1829 CG2 VAL A 124 7.318 5.870 -5.024 1.00 0.00 C ATOM 0 H VAL A 124 9.755 7.163 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 124 8.567 6.198 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 124 9.167 4.872 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 124 7.489 3.172 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 124 8.901 3.114 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.383 3.856 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.783 5.307 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 124 6.645 6.084 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.679 6.807 -5.449 1.00 0.00 H new ATOM 1839 N VAL A 125 11.208 4.363 -3.544 1.00 0.00 N ATOM 1840 CA VAL A 125 12.216 3.457 -3.011 1.00 0.00 C ATOM 1841 C VAL A 125 12.905 4.077 -1.802 1.00 0.00 C ATOM 1842 O VAL A 125 13.252 3.386 -0.844 1.00 0.00 O ATOM 1843 CB VAL A 125 13.284 3.111 -4.066 1.00 0.00 C ATOM 1844 CG1 VAL A 125 13.998 1.819 -3.698 1.00 0.00 C ATOM 1845 CG2 VAL A 125 12.661 3.012 -5.451 1.00 0.00 C ATOM 0 H VAL A 125 11.295 4.555 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 125 11.700 2.542 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 125 14.021 3.914 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 125 14.749 1.590 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 125 14.483 1.935 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 125 13.275 1.005 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 125 13.433 2.767 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 125 11.900 2.232 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 125 12.204 3.966 -5.713 1.00 0.00 H new ATOM 1855 N SER A 126 13.098 5.391 -1.858 1.00 0.00 N ATOM 1856 CA SER A 126 13.743 6.120 -0.777 1.00 0.00 C ATOM 1857 C SER A 126 12.846 6.181 0.451 1.00 0.00 C ATOM 1858 O SER A 126 13.295 5.960 1.576 1.00 0.00 O ATOM 1859 CB SER A 126 14.098 7.535 -1.234 1.00 0.00 C ATOM 1860 OG SER A 126 14.207 8.418 -0.131 1.00 0.00 O ATOM 0 H SER A 126 12.814 5.973 -2.646 1.00 0.00 H new ATOM 0 HA SER A 126 14.657 5.590 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.039 7.517 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.335 7.900 -1.921 1.00 0.00 H new ATOM 0 HG SER A 126 14.213 9.344 -0.452 1.00 0.00 H new ATOM 1866 N PHE A 127 11.578 6.482 0.224 1.00 0.00 N ATOM 1867 CA PHE A 127 10.607 6.576 1.307 1.00 0.00 C ATOM 1868 C PHE A 127 10.326 5.202 1.905 1.00 0.00 C ATOM 1869 O PHE A 127 9.958 5.085 3.073 1.00 0.00 O ATOM 1870 CB PHE A 127 9.304 7.200 0.803 1.00 0.00 C ATOM 1871 CG PHE A 127 8.167 7.079 1.776 1.00 0.00 C ATOM 1872 CD1 PHE A 127 8.292 7.564 3.073 1.00 0.00 C ATOM 1873 CD2 PHE A 127 6.971 6.479 1.398 1.00 0.00 C ATOM 1874 CE1 PHE A 127 7.246 7.453 3.975 1.00 0.00 C ATOM 1875 CE2 PHE A 127 5.920 6.364 2.296 1.00 0.00 C ATOM 1876 CZ PHE A 127 6.059 6.852 3.586 1.00 0.00 C ATOM 0 H PHE A 127 11.194 6.666 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 127 11.029 7.213 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 127 9.475 8.254 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 127 9.021 6.723 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.215 8.033 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.859 6.098 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.355 7.834 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.996 5.896 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 127 5.243 6.764 4.288 1.00 0.00 H new ATOM 1886 N LEU A 128 10.503 4.164 1.094 1.00 0.00 N ATOM 1887 CA LEU A 128 10.269 2.796 1.538 1.00 0.00 C ATOM 1888 C LEU A 128 11.379 2.320 2.474 1.00 0.00 C ATOM 1889 O LEU A 128 11.355 1.188 2.953 1.00 0.00 O ATOM 1890 CB LEU A 128 10.167 1.861 0.333 1.00 0.00 C ATOM 1891 CG LEU A 128 8.786 1.239 0.115 1.00 0.00 C ATOM 1892 CD1 LEU A 128 8.435 0.307 1.266 1.00 0.00 C ATOM 1893 CD2 LEU A 128 7.730 2.325 -0.035 1.00 0.00 C ATOM 0 H LEU A 128 10.808 4.245 0.124 1.00 0.00 H new ATOM 0 HA LEU A 128 9.329 2.778 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.445 2.415 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.896 1.059 0.451 1.00 0.00 H new ATOM 0 HG LEU A 128 8.811 0.655 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.450 -0.127 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.177 -0.489 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.427 0.869 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 128 6.754 1.865 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 128 7.705 2.935 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.974 2.954 -0.891 1.00 0.00 H new ATOM 1905 N ALA A 129 12.354 3.189 2.729 1.00 0.00 N ATOM 1906 CA ALA A 129 13.469 2.849 3.604 1.00 0.00 C ATOM 1907 C ALA A 129 13.039 2.811 5.068 1.00 0.00 C ATOM 1908 O ALA A 129 12.980 1.744 5.680 1.00 0.00 O ATOM 1909 CB ALA A 129 14.609 3.839 3.415 1.00 0.00 C ATOM 0 H ALA A 129 12.393 4.132 2.342 1.00 0.00 H new ATOM 0 HA ALA A 129 13.814 1.852 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 129 15.435 3.573 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.948 3.810 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 129 14.262 4.844 3.655 1.00 0.00 H new ATOM 1915 N PRO A 130 12.738 3.982 5.650 1.00 0.00 N ATOM 1916 CA PRO A 130 12.317 4.088 7.053 1.00 0.00 C ATOM 1917 C PRO A 130 10.958 3.444 7.313 1.00 0.00 C ATOM 1918 O PRO A 130 10.791 2.696 8.275 1.00 0.00 O ATOM 1919 CB PRO A 130 12.247 5.599 7.293 1.00 0.00 C ATOM 1920 CG PRO A 130 12.050 6.191 5.939 1.00 0.00 C ATOM 1921 CD PRO A 130 12.791 5.296 4.986 1.00 0.00 C ATOM 0 HA PRO A 130 13.005 3.566 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.424 5.856 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 130 13.161 5.969 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.991 6.241 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.436 7.210 5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.316 5.271 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 130 13.818 5.630 4.835 1.00 0.00 H new ATOM 1929 N GLU A 131 9.988 3.741 6.453 1.00 0.00 N ATOM 1930 CA GLU A 131 8.646 3.191 6.599 1.00 0.00 C ATOM 1931 C GLU A 131 8.697 1.674 6.751 1.00 0.00 C ATOM 1932 O GLU A 131 7.890 1.084 7.471 1.00 0.00 O ATOM 1933 CB GLU A 131 7.780 3.570 5.394 1.00 0.00 C ATOM 1934 CG GLU A 131 7.875 2.586 4.238 1.00 0.00 C ATOM 1935 CD GLU A 131 6.941 2.933 3.097 1.00 0.00 C ATOM 1936 OE1 GLU A 131 7.022 4.069 2.588 1.00 0.00 O ATOM 1937 OE2 GLU A 131 6.127 2.067 2.712 1.00 0.00 O ATOM 0 H GLU A 131 10.107 4.358 5.650 1.00 0.00 H new ATOM 0 HA GLU A 131 8.201 3.614 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 131 6.740 3.642 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.075 4.559 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 131 8.900 2.563 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.644 1.584 4.599 1.00 0.00 H new ATOM 1944 N SER A 132 9.650 1.050 6.068 1.00 0.00 N ATOM 1945 CA SER A 132 9.810 -0.397 6.126 1.00 0.00 C ATOM 1946 C SER A 132 11.064 -0.773 6.906 1.00 0.00 C ATOM 1947 O SER A 132 12.036 -0.019 6.939 1.00 0.00 O ATOM 1948 CB SER A 132 9.879 -0.979 4.714 1.00 0.00 C ATOM 1949 OG SER A 132 8.589 -1.076 4.137 1.00 0.00 O ATOM 0 H SER A 132 10.324 1.525 5.467 1.00 0.00 H new ATOM 0 HA SER A 132 8.945 -0.814 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.514 -0.350 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.341 -1.966 4.747 1.00 0.00 H new ATOM 0 HG SER A 132 8.343 -2.020 4.042 1.00 0.00 H new ATOM 1955 N ASP A 133 11.033 -1.944 7.535 1.00 0.00 N ATOM 1956 CA ASP A 133 12.166 -2.425 8.318 1.00 0.00 C ATOM 1957 C ASP A 133 13.486 -1.995 7.687 1.00 0.00 C ATOM 1958 O ASP A 133 13.767 -2.314 6.531 1.00 0.00 O ATOM 1959 CB ASP A 133 12.120 -3.949 8.438 1.00 0.00 C ATOM 1960 CG ASP A 133 12.335 -4.640 7.106 1.00 0.00 C ATOM 1961 OD1 ASP A 133 12.958 -4.030 6.214 1.00 0.00 O ATOM 1962 OD2 ASP A 133 11.877 -5.793 6.955 1.00 0.00 O ATOM 0 H ASP A 133 10.234 -2.578 7.518 1.00 0.00 H new ATOM 0 HA ASP A 133 12.099 -1.986 9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 133 12.884 -4.279 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 133 11.156 -4.250 8.849 1.00 0.00 H new ATOM 1967 N LEU A 134 14.290 -1.264 8.451 1.00 0.00 N ATOM 1968 CA LEU A 134 15.575 -0.785 7.970 1.00 0.00 C ATOM 1969 C LEU A 134 16.682 -1.792 8.264 1.00 0.00 C ATOM 1970 O LEU A 134 17.846 -1.420 8.417 1.00 0.00 O ATOM 1971 CB LEU A 134 15.904 0.558 8.620 1.00 0.00 C ATOM 1972 CG LEU A 134 15.482 1.786 7.812 1.00 0.00 C ATOM 1973 CD1 LEU A 134 16.144 3.039 8.365 1.00 0.00 C ATOM 1974 CD2 LEU A 134 15.826 1.601 6.343 1.00 0.00 C ATOM 0 H LEU A 134 14.071 -0.991 9.409 1.00 0.00 H new ATOM 0 HA LEU A 134 15.510 -0.659 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 134 15.421 0.600 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 134 16.979 0.607 8.793 1.00 0.00 H new ATOM 0 HG LEU A 134 14.402 1.902 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 134 15.833 3.904 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 134 15.847 3.179 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.227 2.933 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 134 15.519 2.484 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 134 16.902 1.460 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 134 15.305 0.726 5.955 1.00 0.00 H new ATOM 1986 N HIS A 135 16.314 -3.066 8.342 1.00 0.00 N ATOM 1987 CA HIS A 135 17.280 -4.123 8.616 1.00 0.00 C ATOM 1988 C HIS A 135 16.674 -5.499 8.361 1.00 0.00 C ATOM 1989 O HIS A 135 16.861 -6.427 9.148 1.00 0.00 O ATOM 1990 CB HIS A 135 17.774 -4.029 10.061 1.00 0.00 C ATOM 1991 CG HIS A 135 16.682 -3.790 11.056 1.00 0.00 C ATOM 1992 ND1 HIS A 135 15.625 -4.658 11.181 1.00 0.00 N ATOM 1993 CD2 HIS A 135 16.531 -2.777 11.943 1.00 0.00 C ATOM 1994 CE1 HIS A 135 14.858 -4.160 12.135 1.00 0.00 C ATOM 1995 NE2 HIS A 135 15.366 -3.019 12.626 1.00 0.00 N ATOM 0 H HIS A 135 15.355 -3.391 8.220 1.00 0.00 H new ATOM 0 HA HIS A 135 18.125 -3.990 7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 135 18.293 -4.952 10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 135 18.503 -3.222 10.135 1.00 0.00 H new ATOM 0 HD2 HIS A 135 17.199 -1.940 12.085 1.00 0.00 H new ATOM 0 HE1 HIS A 135 13.939 -4.614 12.476 1.00 0.00 H new ATOM 0 HE2 HIS A 135 14.963 -2.443 13.365 1.00 0.00 H new ATOM 2003 N HIS A 136 15.950 -5.626 7.254 1.00 0.00 N ATOM 2004 CA HIS A 136 15.320 -6.891 6.891 1.00 0.00 C ATOM 2005 C HIS A 136 16.007 -7.507 5.678 1.00 0.00 C ATOM 2006 O HIS A 136 16.873 -6.885 5.061 1.00 0.00 O ATOM 2007 CB HIS A 136 13.833 -6.682 6.597 1.00 0.00 C ATOM 2008 CG HIS A 136 12.936 -7.631 7.331 1.00 0.00 C ATOM 2009 ND1 HIS A 136 12.978 -7.743 8.698 1.00 0.00 N ATOM 2010 CD2 HIS A 136 12.000 -8.482 6.844 1.00 0.00 C ATOM 2011 CE1 HIS A 136 12.073 -8.652 9.014 1.00 0.00 C ATOM 2012 NE2 HIS A 136 11.455 -9.129 7.924 1.00 0.00 N ATOM 0 H HIS A 136 15.785 -4.868 6.592 1.00 0.00 H new ATOM 0 HA HIS A 136 15.422 -7.574 7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 136 13.560 -5.660 6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 136 13.664 -6.791 5.526 1.00 0.00 H new ATOM 0 HD2 HIS A 136 11.735 -8.623 5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 136 11.858 -8.971 10.023 1.00 0.00 H new ATOM 0 HE2 HIS A 136 10.721 -9.837 7.902 1.00 0.00 H new ATOM 2020 N ARG A 137 15.619 -8.732 5.338 1.00 0.00 N ATOM 2021 CA ARG A 137 16.203 -9.427 4.197 1.00 0.00 C ATOM 2022 C ARG A 137 15.145 -10.225 3.444 1.00 0.00 C ATOM 2023 O ARG A 137 14.445 -11.052 4.027 1.00 0.00 O ATOM 2024 CB ARG A 137 17.328 -10.355 4.659 1.00 0.00 C ATOM 2025 CG ARG A 137 18.701 -9.702 4.640 1.00 0.00 C ATOM 2026 CD ARG A 137 19.693 -10.469 5.499 1.00 0.00 C ATOM 2027 NE ARG A 137 19.088 -10.950 6.737 1.00 0.00 N ATOM 2028 CZ ARG A 137 18.920 -10.193 7.817 1.00 0.00 C ATOM 2029 NH1 ARG A 137 19.308 -8.925 7.809 1.00 0.00 N ATOM 2030 NH2 ARG A 137 18.364 -10.704 8.907 1.00 0.00 N ATOM 0 H ARG A 137 14.904 -9.263 5.835 1.00 0.00 H new ATOM 0 HA ARG A 137 16.615 -8.678 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.112 -10.699 5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 137 17.346 -11.238 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 137 19.068 -9.653 3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.623 -8.676 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 137 20.083 -11.315 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 137 20.540 -9.826 5.736 1.00 0.00 H new ATOM 0 HE ARG A 137 18.777 -11.921 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 137 19.737 -8.528 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 137 19.178 -8.347 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 137 18.065 -11.679 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 137 18.236 -10.122 9.735 1.00 0.00 H new ATOM 2044 N ASP A 138 15.038 -9.974 2.144 1.00 0.00 N ATOM 2045 CA ASP A 138 14.069 -10.669 1.307 1.00 0.00 C ATOM 2046 C ASP A 138 14.538 -12.088 1.001 1.00 0.00 C ATOM 2047 O ASP A 138 15.738 -12.363 0.979 1.00 0.00 O ATOM 2048 CB ASP A 138 13.846 -9.901 0.003 1.00 0.00 C ATOM 2049 CG ASP A 138 12.394 -9.904 -0.430 1.00 0.00 C ATOM 2050 OD1 ASP A 138 11.515 -9.743 0.443 1.00 0.00 O ATOM 2051 OD2 ASP A 138 12.135 -10.066 -1.642 1.00 0.00 O ATOM 0 H ASP A 138 15.612 -9.293 1.647 1.00 0.00 H new ATOM 0 HA ASP A 138 13.127 -10.725 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 138 14.182 -8.872 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 138 14.458 -10.342 -0.784 1.00 0.00 H new ATOM 2056 N ALA A 139 13.585 -12.983 0.762 1.00 0.00 N ATOM 2057 CA ALA A 139 13.906 -14.371 0.454 1.00 0.00 C ATOM 2058 C ALA A 139 14.934 -14.452 -0.667 1.00 0.00 C ATOM 2059 O ALA A 139 15.627 -15.457 -0.821 1.00 0.00 O ATOM 2060 CB ALA A 139 12.646 -15.134 0.078 1.00 0.00 C ATOM 0 H ALA A 139 12.587 -12.772 0.776 1.00 0.00 H new ATOM 0 HA ALA A 139 14.337 -14.829 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 139 12.902 -16.169 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 139 11.943 -15.108 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 139 12.189 -14.673 -0.797 1.00 0.00 H new ATOM 2066 N SER A 140 15.024 -13.381 -1.446 1.00 0.00 N ATOM 2067 CA SER A 140 15.964 -13.314 -2.556 1.00 0.00 C ATOM 2068 C SER A 140 17.403 -13.413 -2.059 1.00 0.00 C ATOM 2069 O SER A 140 18.227 -14.113 -2.647 1.00 0.00 O ATOM 2070 CB SER A 140 15.768 -12.011 -3.330 1.00 0.00 C ATOM 2071 OG SER A 140 16.894 -11.161 -3.196 1.00 0.00 O ATOM 0 H SER A 140 14.454 -12.543 -1.328 1.00 0.00 H new ATOM 0 HA SER A 140 15.771 -14.158 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 140 15.600 -12.233 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 140 14.877 -11.499 -2.966 1.00 0.00 H new ATOM 0 HG SER A 140 17.536 -11.353 -3.912 1.00 0.00 H new ATOM 2077 N GLY A 141 17.696 -12.709 -0.970 1.00 0.00 N ATOM 2078 CA GLY A 141 19.034 -12.731 -0.410 1.00 0.00 C ATOM 2079 C GLY A 141 19.720 -11.382 -0.489 1.00 0.00 C ATOM 2080 O GLY A 141 20.873 -11.291 -0.912 1.00 0.00 O ATOM 0 H GLY A 141 17.030 -12.124 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 141 18.983 -13.048 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 141 19.634 -13.471 -0.940 1.00 0.00 H new ATOM 2084 N LEU A 142 19.015 -10.332 -0.080 1.00 0.00 N ATOM 2085 CA LEU A 142 19.572 -8.984 -0.108 1.00 0.00 C ATOM 2086 C LEU A 142 18.620 -7.981 0.537 1.00 0.00 C ATOM 2087 O LEU A 142 17.405 -8.048 0.348 1.00 0.00 O ATOM 2088 CB LEU A 142 19.879 -8.566 -1.547 1.00 0.00 C ATOM 2089 CG LEU A 142 18.695 -8.630 -2.513 1.00 0.00 C ATOM 2090 CD1 LEU A 142 18.050 -7.260 -2.651 1.00 0.00 C ATOM 2091 CD2 LEU A 142 19.144 -9.147 -3.871 1.00 0.00 C ATOM 0 H LEU A 142 18.060 -10.388 0.274 1.00 0.00 H new ATOM 0 HA LEU A 142 20.498 -8.992 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 142 20.264 -7.546 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 142 20.675 -9.204 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 142 17.955 -9.321 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 142 17.209 -7.322 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 142 17.695 -6.925 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 142 18.783 -6.550 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 142 18.289 -9.186 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 142 19.901 -8.479 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 142 19.564 -10.147 -3.759 1.00 0.00 H new ATOM 2103 N THR A 143 19.184 -7.050 1.303 1.00 0.00 N ATOM 2104 CA THR A 143 18.394 -6.029 1.982 1.00 0.00 C ATOM 2105 C THR A 143 18.339 -4.743 1.160 1.00 0.00 C ATOM 2106 O THR A 143 18.846 -4.688 0.040 1.00 0.00 O ATOM 2107 CB THR A 143 18.987 -5.737 3.361 1.00 0.00 C ATOM 2108 OG1 THR A 143 19.789 -4.570 3.325 1.00 0.00 O ATOM 2109 CG2 THR A 143 19.843 -6.865 3.894 1.00 0.00 C ATOM 0 H THR A 143 20.188 -6.983 1.469 1.00 0.00 H new ATOM 0 HA THR A 143 17.378 -6.408 2.098 1.00 0.00 H new ATOM 0 HB THR A 143 18.131 -5.607 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.158 -4.399 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 143 20.233 -6.594 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 143 19.241 -7.769 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.673 -7.046 3.211 1.00 0.00 H new ATOM 2117 N PRO A 144 17.723 -3.688 1.716 1.00 0.00 N ATOM 2118 CA PRO A 144 17.601 -2.392 1.040 1.00 0.00 C ATOM 2119 C PRO A 144 18.923 -1.924 0.446 1.00 0.00 C ATOM 2120 O PRO A 144 19.032 -1.717 -0.763 1.00 0.00 O ATOM 2121 CB PRO A 144 17.155 -1.455 2.161 1.00 0.00 C ATOM 2122 CG PRO A 144 16.415 -2.335 3.108 1.00 0.00 C ATOM 2123 CD PRO A 144 17.097 -3.675 3.052 1.00 0.00 C ATOM 0 HA PRO A 144 16.911 -2.431 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 144 18.008 -0.980 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 144 16.518 -0.656 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 144 16.439 -1.927 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 144 15.366 -2.419 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 144 17.839 -3.781 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 144 16.386 -4.493 3.170 1.00 0.00 H new ATOM 2131 N LEU A 145 19.926 -1.763 1.302 1.00 0.00 N ATOM 2132 CA LEU A 145 21.242 -1.321 0.857 1.00 0.00 C ATOM 2133 C LEU A 145 21.804 -2.273 -0.193 1.00 0.00 C ATOM 2134 O LEU A 145 22.474 -1.848 -1.136 1.00 0.00 O ATOM 2135 CB LEU A 145 22.202 -1.224 2.044 1.00 0.00 C ATOM 2136 CG LEU A 145 21.875 -0.119 3.051 1.00 0.00 C ATOM 2137 CD1 LEU A 145 23.016 0.053 4.043 1.00 0.00 C ATOM 2138 CD2 LEU A 145 21.589 1.191 2.331 1.00 0.00 C ATOM 0 H LEU A 145 19.853 -1.931 2.305 1.00 0.00 H new ATOM 0 HA LEU A 145 21.135 -0.333 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 145 22.208 -2.181 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 145 23.211 -1.062 1.664 1.00 0.00 H new ATOM 0 HG LEU A 145 20.981 -0.409 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 145 22.766 0.843 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 145 23.174 -0.881 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 145 23.927 0.321 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 145 21.358 1.965 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 145 22.464 1.487 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 145 20.739 1.060 1.661 1.00 0.00 H new ATOM 2150 N GLU A 146 21.525 -3.563 -0.029 1.00 0.00 N ATOM 2151 CA GLU A 146 22.000 -4.571 -0.967 1.00 0.00 C ATOM 2152 C GLU A 146 21.435 -4.317 -2.359 1.00 0.00 C ATOM 2153 O GLU A 146 22.180 -4.042 -3.301 1.00 0.00 O ATOM 2154 CB GLU A 146 21.614 -5.971 -0.490 1.00 0.00 C ATOM 2155 CG GLU A 146 22.309 -6.386 0.795 1.00 0.00 C ATOM 2156 CD GLU A 146 23.820 -6.334 0.684 1.00 0.00 C ATOM 2157 OE1 GLU A 146 24.376 -7.048 -0.177 1.00 0.00 O ATOM 2158 OE2 GLU A 146 24.446 -5.581 1.458 1.00 0.00 O ATOM 0 H GLU A 146 20.973 -3.933 0.745 1.00 0.00 H new ATOM 0 HA GLU A 146 23.087 -4.506 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 146 20.535 -6.010 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 146 21.853 -6.692 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 146 21.985 -5.733 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 146 22.002 -7.398 1.059 1.00 0.00 H new ATOM 2165 N LEU A 147 20.112 -4.394 -2.484 1.00 0.00 N ATOM 2166 CA LEU A 147 19.460 -4.154 -3.764 1.00 0.00 C ATOM 2167 C LEU A 147 19.910 -2.819 -4.328 1.00 0.00 C ATOM 2168 O LEU A 147 20.311 -2.722 -5.489 1.00 0.00 O ATOM 2169 CB LEU A 147 17.939 -4.161 -3.605 1.00 0.00 C ATOM 2170 CG LEU A 147 17.184 -4.999 -4.640 1.00 0.00 C ATOM 2171 CD1 LEU A 147 15.684 -4.916 -4.404 1.00 0.00 C ATOM 2172 CD2 LEU A 147 17.529 -4.541 -6.047 1.00 0.00 C ATOM 0 H LEU A 147 19.476 -4.619 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 147 19.741 -4.952 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 147 17.695 -4.533 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.578 -3.134 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 147 17.490 -6.039 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.165 -5.518 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 147 15.451 -5.292 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 147 15.360 -3.879 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 147 16.984 -5.147 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.251 -3.494 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 147 18.600 -4.653 -6.214 1.00 0.00 H new ATOM 2184 N ALA A 148 19.856 -1.790 -3.491 1.00 0.00 N ATOM 2185 CA ALA A 148 20.272 -0.461 -3.898 1.00 0.00 C ATOM 2186 C ALA A 148 21.693 -0.503 -4.444 1.00 0.00 C ATOM 2187 O ALA A 148 22.038 0.231 -5.370 1.00 0.00 O ATOM 2188 CB ALA A 148 20.171 0.505 -2.729 1.00 0.00 C ATOM 0 H ALA A 148 19.528 -1.854 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 148 19.609 -0.109 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 148 20.486 1.498 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 148 19.139 0.547 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 148 20.815 0.164 -1.918 1.00 0.00 H new ATOM 2194 N ARG A 149 22.510 -1.387 -3.874 1.00 0.00 N ATOM 2195 CA ARG A 149 23.888 -1.546 -4.318 1.00 0.00 C ATOM 2196 C ARG A 149 23.899 -2.105 -5.731 1.00 0.00 C ATOM 2197 O ARG A 149 24.623 -1.624 -6.603 1.00 0.00 O ATOM 2198 CB ARG A 149 24.652 -2.479 -3.378 1.00 0.00 C ATOM 2199 CG ARG A 149 26.139 -2.565 -3.684 1.00 0.00 C ATOM 2200 CD ARG A 149 26.458 -3.755 -4.573 1.00 0.00 C ATOM 2201 NE ARG A 149 27.128 -3.352 -5.807 1.00 0.00 N ATOM 2202 CZ ARG A 149 27.088 -4.058 -6.932 1.00 0.00 C ATOM 2203 NH1 ARG A 149 26.415 -5.200 -6.976 1.00 0.00 N ATOM 2204 NH2 ARG A 149 27.722 -3.625 -8.015 1.00 0.00 N ATOM 0 H ARG A 149 22.240 -2.001 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 149 24.380 -0.573 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 149 24.520 -2.136 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 149 24.218 -3.477 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 149 26.464 -1.647 -4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 149 26.699 -2.645 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 149 27.092 -4.455 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 149 25.536 -4.283 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 149 27.656 -2.479 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 149 25.928 -5.537 -6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 149 26.385 -5.741 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 149 28.242 -2.748 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 149 27.689 -4.169 -8.877 1.00 0.00 H new ATOM 2218 N GLN A 150 23.060 -3.111 -5.952 1.00 0.00 N ATOM 2219 CA GLN A 150 22.933 -3.731 -7.260 1.00 0.00 C ATOM 2220 C GLN A 150 22.305 -2.731 -8.222 1.00 0.00 C ATOM 2221 O GLN A 150 23.007 -1.966 -8.881 1.00 0.00 O ATOM 2222 CB GLN A 150 22.076 -5.000 -7.152 1.00 0.00 C ATOM 2223 CG GLN A 150 21.491 -5.478 -8.471 1.00 0.00 C ATOM 2224 CD GLN A 150 22.259 -6.645 -9.059 1.00 0.00 C ATOM 2225 OE1 GLN A 150 23.213 -6.458 -9.813 1.00 0.00 O ATOM 2226 NE2 GLN A 150 21.846 -7.860 -8.714 1.00 0.00 N ATOM 0 H GLN A 150 22.456 -3.514 -5.236 1.00 0.00 H new ATOM 0 HA GLN A 150 23.915 -4.016 -7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 150 22.684 -5.799 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 150 21.260 -4.814 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 150 20.452 -5.771 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 150 21.489 -4.653 -9.184 1.00 0.00 H new ATOM 0 HE21 GLN A 150 21.050 -7.969 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 150 22.325 -8.684 -9.078 1.00 0.00 H new ATOM 2235 N ARG A 151 20.978 -2.716 -8.268 1.00 0.00 N ATOM 2236 CA ARG A 151 20.258 -1.781 -9.112 1.00 0.00 C ATOM 2237 C ARG A 151 20.303 -0.399 -8.477 1.00 0.00 C ATOM 2238 O ARG A 151 19.266 0.192 -8.175 1.00 0.00 O ATOM 2239 CB ARG A 151 18.810 -2.236 -9.293 1.00 0.00 C ATOM 2240 CG ARG A 151 18.153 -1.694 -10.551 1.00 0.00 C ATOM 2241 CD ARG A 151 17.107 -2.656 -11.089 1.00 0.00 C ATOM 2242 NE ARG A 151 17.700 -3.694 -11.926 1.00 0.00 N ATOM 2243 CZ ARG A 151 17.077 -4.822 -12.251 1.00 0.00 C ATOM 2244 NH1 ARG A 151 15.846 -5.052 -11.812 1.00 0.00 N ATOM 2245 NH2 ARG A 151 17.682 -5.722 -13.014 1.00 0.00 N ATOM 0 H ARG A 151 20.382 -3.343 -7.728 1.00 0.00 H new ATOM 0 HA ARG A 151 20.728 -1.743 -10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 151 18.781 -3.325 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 151 18.229 -1.922 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 151 17.688 -0.732 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 151 18.912 -1.517 -11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 151 16.578 -3.120 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.368 -2.102 -11.667 1.00 0.00 H new ATOM 0 HE ARG A 151 18.645 -3.546 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 151 15.377 -4.363 -11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 151 15.369 -5.918 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 151 18.628 -5.550 -13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 151 17.201 -6.587 -13.262 1.00 0.00 H new ATOM 2259 N GLY A 152 21.513 0.102 -8.256 1.00 0.00 N ATOM 2260 CA GLY A 152 21.687 1.400 -7.635 1.00 0.00 C ATOM 2261 C GLY A 152 21.342 2.556 -8.545 1.00 0.00 C ATOM 2262 O GLY A 152 22.080 3.540 -8.606 1.00 0.00 O ATOM 0 H GLY A 152 22.383 -0.373 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 152 21.064 1.453 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 152 22.722 1.502 -7.308 1.00 0.00 H new ATOM 2266 N ALA A 153 20.213 2.458 -9.240 1.00 0.00 N ATOM 2267 CA ALA A 153 19.783 3.531 -10.127 1.00 0.00 C ATOM 2268 C ALA A 153 20.081 4.876 -9.480 1.00 0.00 C ATOM 2269 O ALA A 153 19.824 5.057 -8.291 1.00 0.00 O ATOM 2270 CB ALA A 153 18.297 3.410 -10.426 1.00 0.00 C ATOM 0 H ALA A 153 19.585 1.655 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 153 20.329 3.455 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 153 17.992 4.219 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 153 18.099 2.452 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 153 17.732 3.472 -9.496 1.00 0.00 H new ATOM 2276 N GLN A 154 20.639 5.810 -10.249 1.00 0.00 N ATOM 2277 CA GLN A 154 20.976 7.124 -9.709 1.00 0.00 C ATOM 2278 C GLN A 154 21.471 6.981 -8.273 1.00 0.00 C ATOM 2279 O GLN A 154 22.000 5.934 -7.898 1.00 0.00 O ATOM 2280 CB GLN A 154 19.759 8.053 -9.756 1.00 0.00 C ATOM 2281 CG GLN A 154 18.622 7.536 -10.625 1.00 0.00 C ATOM 2282 CD GLN A 154 17.514 6.884 -9.819 1.00 0.00 C ATOM 2283 OE1 GLN A 154 17.855 6.383 -8.635 1.00 0.00 O flip ATOM 2284 NE2 GLN A 154 16.364 6.831 -10.254 1.00 0.00 N flip ATOM 0 H GLN A 154 20.865 5.683 -11.236 1.00 0.00 H new ATOM 0 HA GLN A 154 21.767 7.561 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 154 19.389 8.203 -8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 154 20.073 9.028 -10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 154 18.207 8.363 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 154 19.017 6.815 -11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 154 16.146 7.228 -11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 154 15.629 6.390 -9.701 1.00 0.00 H new ATOM 2293 N ASN A 155 21.285 8.015 -7.463 1.00 0.00 N ATOM 2294 CA ASN A 155 21.702 7.966 -6.065 1.00 0.00 C ATOM 2295 C ASN A 155 20.750 7.092 -5.242 1.00 0.00 C ATOM 2296 O ASN A 155 20.264 7.515 -4.195 1.00 0.00 O ATOM 2297 CB ASN A 155 21.753 9.378 -5.476 1.00 0.00 C ATOM 2298 CG ASN A 155 20.550 10.213 -5.868 1.00 0.00 C ATOM 2299 OD1 ASN A 155 20.026 10.086 -6.974 1.00 0.00 O ATOM 2300 ND2 ASN A 155 20.107 11.074 -4.960 1.00 0.00 N ATOM 0 H ASN A 155 20.851 8.894 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 155 22.699 7.526 -6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 155 21.808 9.313 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 155 22.662 9.876 -5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 155 19.301 11.664 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 155 20.573 11.146 -4.055 1.00 0.00 H new ATOM 2307 N LEU A 156 20.482 5.877 -5.723 1.00 0.00 N ATOM 2308 CA LEU A 156 19.581 4.956 -5.035 1.00 0.00 C ATOM 2309 C LEU A 156 20.153 4.503 -3.699 1.00 0.00 C ATOM 2310 O LEU A 156 19.658 4.884 -2.640 1.00 0.00 O ATOM 2311 CB LEU A 156 19.298 3.736 -5.914 1.00 0.00 C ATOM 2312 CG LEU A 156 17.913 3.710 -6.563 1.00 0.00 C ATOM 2313 CD1 LEU A 156 17.586 2.311 -7.063 1.00 0.00 C ATOM 2314 CD2 LEU A 156 16.854 4.189 -5.583 1.00 0.00 C ATOM 0 H LEU A 156 20.878 5.509 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 156 18.651 5.491 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 156 20.051 3.692 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 156 19.416 2.837 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 156 17.920 4.388 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 156 16.597 2.310 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 156 18.328 2.005 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 156 17.598 1.613 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 156 15.876 4.163 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 156 16.846 3.538 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 156 17.080 5.210 -5.274 1.00 0.00 H new ATOM 2326 N MET A 157 21.194 3.681 -3.757 1.00 0.00 N ATOM 2327 CA MET A 157 21.825 3.173 -2.555 1.00 0.00 C ATOM 2328 C MET A 157 22.194 4.314 -1.616 1.00 0.00 C ATOM 2329 O MET A 157 22.389 4.109 -0.418 1.00 0.00 O ATOM 2330 CB MET A 157 23.065 2.361 -2.928 1.00 0.00 C ATOM 2331 CG MET A 157 24.338 3.187 -3.008 1.00 0.00 C ATOM 2332 SD MET A 157 25.820 2.170 -3.151 1.00 0.00 S ATOM 2333 CE MET A 157 25.700 1.187 -1.659 1.00 0.00 C ATOM 0 H MET A 157 21.616 3.355 -4.626 1.00 0.00 H new ATOM 0 HA MET A 157 21.120 2.525 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 157 23.203 1.568 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 157 22.895 1.878 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 157 24.278 3.857 -3.866 1.00 0.00 H new ATOM 0 HG3 MET A 157 24.416 3.813 -2.119 1.00 0.00 H new ATOM 0 HE1 MET A 157 26.699 0.896 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 157 25.220 1.773 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 157 25.108 0.294 -1.859 1.00 0.00 H new ATOM 2343 N ASP A 158 22.283 5.518 -2.168 1.00 0.00 N ATOM 2344 CA ASP A 158 22.623 6.691 -1.379 1.00 0.00 C ATOM 2345 C ASP A 158 21.453 7.116 -0.502 1.00 0.00 C ATOM 2346 O ASP A 158 21.604 7.286 0.708 1.00 0.00 O ATOM 2347 CB ASP A 158 23.049 7.845 -2.289 1.00 0.00 C ATOM 2348 CG ASP A 158 24.030 8.782 -1.613 1.00 0.00 C ATOM 2349 OD1 ASP A 158 23.748 9.219 -0.477 1.00 0.00 O ATOM 2350 OD2 ASP A 158 25.081 9.079 -2.219 1.00 0.00 O ATOM 0 H ASP A 158 22.124 5.706 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 158 23.459 6.429 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 158 23.501 7.442 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 158 22.167 8.407 -2.596 1.00 0.00 H new ATOM 2355 N ILE A 159 20.285 7.288 -1.113 1.00 0.00 N ATOM 2356 CA ILE A 159 19.103 7.691 -0.379 1.00 0.00 C ATOM 2357 C ILE A 159 18.790 6.703 0.737 1.00 0.00 C ATOM 2358 O ILE A 159 18.263 7.078 1.784 1.00 0.00 O ATOM 2359 CB ILE A 159 17.875 7.802 -1.301 1.00 0.00 C ATOM 2360 CG1 ILE A 159 18.230 8.507 -2.614 1.00 0.00 C ATOM 2361 CG2 ILE A 159 16.771 8.549 -0.586 1.00 0.00 C ATOM 2362 CD1 ILE A 159 17.740 7.771 -3.845 1.00 0.00 C ATOM 0 H ILE A 159 20.137 7.153 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 159 19.317 8.671 0.048 1.00 0.00 H new ATOM 0 HB ILE A 159 17.533 6.796 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 159 17.803 9.510 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 159 19.312 8.621 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 159 15.902 8.627 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 159 16.496 8.011 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 159 17.119 9.548 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 159 18.026 8.326 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 159 18.187 6.777 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 159 16.655 7.680 -3.806 1.00 0.00 H new ATOM 2374 N LEU A 160 19.110 5.435 0.502 1.00 0.00 N ATOM 2375 CA LEU A 160 18.856 4.387 1.482 1.00 0.00 C ATOM 2376 C LEU A 160 19.836 4.477 2.647 1.00 0.00 C ATOM 2377 O LEU A 160 19.458 4.300 3.806 1.00 0.00 O ATOM 2378 CB LEU A 160 18.939 3.010 0.828 1.00 0.00 C ATOM 2379 CG LEU A 160 18.494 2.974 -0.631 1.00 0.00 C ATOM 2380 CD1 LEU A 160 18.030 1.578 -1.015 1.00 0.00 C ATOM 2381 CD2 LEU A 160 17.397 3.994 -0.888 1.00 0.00 C ATOM 0 H LEU A 160 19.546 5.108 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 160 17.848 4.530 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 160 19.967 2.654 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 160 18.326 2.313 1.399 1.00 0.00 H new ATOM 0 HG LEU A 160 19.350 3.234 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 160 17.717 1.573 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 160 18.849 0.872 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 160 17.191 1.287 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 160 17.097 3.949 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 160 16.538 3.772 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 160 17.768 4.993 -0.660 1.00 0.00 H new ATOM 2393 N GLN A 161 21.096 4.755 2.330 1.00 0.00 N ATOM 2394 CA GLN A 161 22.134 4.871 3.345 1.00 0.00 C ATOM 2395 C GLN A 161 21.874 6.068 4.253 1.00 0.00 C ATOM 2396 O GLN A 161 22.309 6.094 5.405 1.00 0.00 O ATOM 2397 CB GLN A 161 23.505 5.002 2.685 1.00 0.00 C ATOM 2398 CG GLN A 161 24.365 3.756 2.813 1.00 0.00 C ATOM 2399 CD GLN A 161 25.797 3.987 2.377 1.00 0.00 C ATOM 2400 OE1 GLN A 161 26.402 5.007 2.708 1.00 0.00 O ATOM 2401 NE2 GLN A 161 26.349 3.038 1.630 1.00 0.00 N ATOM 0 H GLN A 161 21.423 4.904 1.375 1.00 0.00 H new ATOM 0 HA GLN A 161 22.117 3.967 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 161 23.369 5.232 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 161 24.034 5.845 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 161 24.355 3.417 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 161 23.931 2.957 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 161 25.811 2.209 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 161 27.311 3.138 1.307 1.00 0.00 H new ATOM 2410 N GLY A 162 21.161 7.060 3.728 1.00 0.00 N ATOM 2411 CA GLY A 162 20.855 8.245 4.507 1.00 0.00 C ATOM 2412 C GLY A 162 19.811 7.980 5.573 1.00 0.00 C ATOM 2413 O GLY A 162 20.038 8.245 6.754 1.00 0.00 O ATOM 0 H GLY A 162 20.790 7.064 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 162 21.767 8.613 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 162 20.500 9.032 3.842 1.00 0.00 H new ATOM 2417 N HIS A 163 18.665 7.452 5.155 1.00 0.00 N ATOM 2418 CA HIS A 163 17.583 7.148 6.082 1.00 0.00 C ATOM 2419 C HIS A 163 17.939 5.949 6.955 1.00 0.00 C ATOM 2420 O HIS A 163 17.268 5.669 7.948 1.00 0.00 O ATOM 2421 CB HIS A 163 16.288 6.867 5.315 1.00 0.00 C ATOM 2422 CG HIS A 163 15.693 8.084 4.678 1.00 0.00 C ATOM 2423 ND1 HIS A 163 14.526 8.638 5.145 1.00 0.00 N ATOM 2424 CD2 HIS A 163 16.137 8.808 3.622 1.00 0.00 C ATOM 2425 CE1 HIS A 163 14.286 9.680 4.369 1.00 0.00 C ATOM 2426 NE2 HIS A 163 15.234 9.823 3.431 1.00 0.00 N ATOM 0 H HIS A 163 18.463 7.226 4.181 1.00 0.00 H new ATOM 0 HA HIS A 163 17.435 8.015 6.726 1.00 0.00 H new ATOM 0 HB2 HIS A 163 16.487 6.123 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 163 15.559 6.431 5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 163 17.029 8.622 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 163 13.434 10.334 4.476 1.00 0.00 H new ATOM 0 HE2 HIS A 163 15.276 10.547 2.714 1.00 0.00 H new ATOM 2434 N MET A 164 18.997 5.241 6.575 1.00 0.00 N ATOM 2435 CA MET A 164 19.443 4.071 7.320 1.00 0.00 C ATOM 2436 C MET A 164 20.213 4.480 8.571 1.00 0.00 C ATOM 2437 O MET A 164 21.279 5.090 8.484 1.00 0.00 O ATOM 2438 CB MET A 164 20.317 3.179 6.436 1.00 0.00 C ATOM 2439 CG MET A 164 19.596 1.948 5.913 1.00 0.00 C ATOM 2440 SD MET A 164 19.459 0.644 7.151 1.00 0.00 S ATOM 2441 CE MET A 164 21.155 0.077 7.232 1.00 0.00 C ATOM 0 H MET A 164 19.562 5.458 5.754 1.00 0.00 H new ATOM 0 HA MET A 164 18.560 3.511 7.628 1.00 0.00 H new ATOM 0 HB2 MET A 164 20.680 3.764 5.591 1.00 0.00 H new ATOM 0 HB3 MET A 164 21.192 2.863 7.005 1.00 0.00 H new ATOM 0 HG2 MET A 164 18.598 2.231 5.578 1.00 0.00 H new ATOM 0 HG3 MET A 164 20.127 1.563 5.043 1.00 0.00 H new ATOM 0 HE1 MET A 164 21.448 -0.045 8.275 1.00 0.00 H new ATOM 0 HE2 MET A 164 21.244 -0.879 6.715 1.00 0.00 H new ATOM 0 HE3 MET A 164 21.807 0.809 6.755 1.00 0.00 H new ATOM 2451 N MET A 165 19.667 4.139 9.734 1.00 0.00 N ATOM 2452 CA MET A 165 20.302 4.469 11.005 1.00 0.00 C ATOM 2453 C MET A 165 20.924 5.861 10.960 1.00 0.00 C ATOM 2454 O MET A 165 20.508 6.714 10.175 1.00 0.00 O ATOM 2455 CB MET A 165 21.370 3.430 11.350 1.00 0.00 C ATOM 2456 CG MET A 165 21.407 3.062 12.825 1.00 0.00 C ATOM 2457 SD MET A 165 23.053 3.234 13.543 1.00 0.00 S ATOM 2458 CE MET A 165 23.102 1.806 14.623 1.00 0.00 C ATOM 0 H MET A 165 18.785 3.634 9.822 1.00 0.00 H new ATOM 0 HA MET A 165 19.534 4.461 11.778 1.00 0.00 H new ATOM 0 HB2 MET A 165 21.191 2.529 10.764 1.00 0.00 H new ATOM 0 HB3 MET A 165 22.347 3.813 11.055 1.00 0.00 H new ATOM 0 HG2 MET A 165 20.709 3.696 13.371 1.00 0.00 H new ATOM 0 HG3 MET A 165 21.067 2.034 12.948 1.00 0.00 H new ATOM 0 HE1 MET A 165 24.061 1.773 15.140 1.00 0.00 H new ATOM 0 HE2 MET A 165 22.298 1.876 15.355 1.00 0.00 H new ATOM 0 HE3 MET A 165 22.977 0.899 14.032 1.00 0.00 H new ATOM 2468 N ILE A 166 21.923 6.083 11.808 1.00 0.00 N ATOM 2469 CA ILE A 166 22.604 7.370 11.868 1.00 0.00 C ATOM 2470 C ILE A 166 21.619 8.522 11.703 1.00 0.00 C ATOM 2471 O ILE A 166 21.751 9.341 10.793 1.00 0.00 O ATOM 2472 CB ILE A 166 23.697 7.480 10.786 1.00 0.00 C ATOM 2473 CG1 ILE A 166 23.088 7.314 9.392 1.00 0.00 C ATOM 2474 CG2 ILE A 166 24.782 6.441 11.023 1.00 0.00 C ATOM 2475 CD1 ILE A 166 24.011 7.747 8.274 1.00 0.00 C ATOM 0 H ILE A 166 22.279 5.387 12.463 1.00 0.00 H new ATOM 0 HA ILE A 166 23.071 7.435 12.851 1.00 0.00 H new ATOM 0 HB ILE A 166 24.148 8.470 10.847 1.00 0.00 H new ATOM 0 HG12 ILE A 166 22.818 6.268 9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 166 22.166 7.893 9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 166 25.547 6.531 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 166 25.233 6.603 12.002 1.00 0.00 H new ATOM 0 HG23 ILE A 166 24.345 5.443 10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 166 23.514 7.601 7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 166 24.262 8.801 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 166 24.923 7.151 8.304 1.00 0.00 H new ATOM 2487 N PRO A 167 20.613 8.598 12.588 1.00 0.00 N ATOM 2488 CA PRO A 167 19.596 9.655 12.544 1.00 0.00 C ATOM 2489 C PRO A 167 20.209 11.050 12.605 1.00 0.00 C ATOM 2490 O PRO A 167 20.282 11.660 13.672 1.00 0.00 O ATOM 2491 CB PRO A 167 18.746 9.389 13.791 1.00 0.00 C ATOM 2492 CG PRO A 167 18.976 7.953 14.115 1.00 0.00 C ATOM 2493 CD PRO A 167 20.390 7.660 13.700 1.00 0.00 C ATOM 0 HA PRO A 167 19.028 9.633 11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 167 19.046 10.033 14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 167 17.691 9.586 13.599 1.00 0.00 H new ATOM 0 HG2 PRO A 167 18.834 7.765 15.179 1.00 0.00 H new ATOM 0 HG3 PRO A 167 18.272 7.314 13.582 1.00 0.00 H new ATOM 0 HD2 PRO A 167 21.093 7.828 14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 167 20.511 6.624 13.384 1.00 0.00 H new ATOM 2501 N MET A 168 20.647 11.550 11.454 1.00 0.00 N ATOM 2502 CA MET A 168 21.254 12.874 11.377 1.00 0.00 C ATOM 2503 C MET A 168 20.841 13.588 10.094 1.00 0.00 C ATOM 2504 O MET A 168 19.804 14.283 10.111 1.00 0.00 O ATOM 2505 CB MET A 168 22.778 12.766 11.446 1.00 0.00 C ATOM 2506 CG MET A 168 23.278 11.944 12.623 1.00 0.00 C ATOM 2507 SD MET A 168 23.422 12.914 14.136 1.00 0.00 S ATOM 2508 CE MET A 168 24.202 11.728 15.226 1.00 0.00 C ATOM 2509 OXT MET A 168 21.559 13.445 9.082 1.00 0.00 O ATOM 0 H MET A 168 20.593 11.058 10.562 1.00 0.00 H new ATOM 0 HA MET A 168 20.900 13.457 12.227 1.00 0.00 H new ATOM 0 HB2 MET A 168 23.144 12.321 10.521 1.00 0.00 H new ATOM 0 HB3 MET A 168 23.202 13.768 11.507 1.00 0.00 H new ATOM 0 HG2 MET A 168 22.597 11.110 12.794 1.00 0.00 H new ATOM 0 HG3 MET A 168 24.250 11.517 12.376 1.00 0.00 H new ATOM 0 HE1 MET A 168 24.358 12.181 16.205 1.00 0.00 H new ATOM 0 HE2 MET A 168 23.561 10.852 15.329 1.00 0.00 H new ATOM 0 HE3 MET A 168 25.163 11.427 14.808 1.00 0.00 H new TER 2519 MET A 168