USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 969 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 39 HIS : no HD1:sc= 0.797 K(o=2,f=-3!) USER MOD Set 1.2: A 105 SER OG : rot -91:sc= 1.22 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.021) USER MOD Set 3.1: A 17 CYS SG : rot -18:sc= 1.03 USER MOD Set 3.2: A 79 CYS SG : rot -171:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc=-0.00674 (180deg=-0.148) USER MOD Single : A 3 GLN : amide:sc=-0.00429 K(o=-0.0043,f=-1.8!) USER MOD Single : A 5 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.71) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 0:sc= 0.0878 USER MOD Single : A 16 CYS SG : rot -86:sc= -0.103! USER MOD Single : A 20 MET CE :methyl -165:sc= -0.0536 (180deg=-0.395) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.425 K(o=0.43,f=-5.9!) USER MOD Single : A 29 CYS SG : rot -70:sc= -0.107 USER MOD Single : A 31 THR OG1 : rot 94:sc= 0.0629 USER MOD Single : A 34 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 38 SER OG : rot 146:sc= -0.209 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 159:sc= -2.09 (180deg=-3.76!) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00631 USER MOD Single : A 53 SER OG : rot 61:sc= 0.565 USER MOD Single : A 58 ASN : amide:sc= -0.197 K(o=-0.2,f=-7.1!) USER MOD Single : A 61 MET CE :methyl 158:sc= -0.21 (180deg=-0.384) USER MOD Single : A 62 THR OG1 : rot -9:sc= 0.272 USER MOD Single : A 68 ASN : amide:sc= 0.281 X(o=0.28,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 0.849 (180deg=0.354) USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00903 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.101 K(o=-0.1,f=-4.1!) USER MOD Single : A 93 MET CE :methyl -155:sc= -0.755 (180deg=-1.91!) USER MOD Single : A 100 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.54) USER MOD Single : A 101 SER OG : rot 150:sc= 0 USER MOD Single : A 102 THR OG1 : rot 71:sc= 0.905 USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0879) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0581 K(o=-0.058,f=-1) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 128 HIS : no HD1:sc= -0.0627 K(o=-0.063,f=-0.6) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.115 -9.398 -29.005 1.00 0.00 N ATOM 2 CA MET A 1 14.788 -7.966 -29.231 1.00 0.00 C ATOM 3 C MET A 1 13.747 -7.814 -30.362 1.00 0.00 C ATOM 4 O MET A 1 13.627 -8.689 -31.230 1.00 0.00 O ATOM 5 CB MET A 1 16.077 -7.165 -29.570 1.00 0.00 C ATOM 6 CG MET A 1 17.187 -7.303 -28.518 1.00 0.00 C ATOM 7 SD MET A 1 16.649 -6.779 -26.874 1.00 0.00 S ATOM 8 CE MET A 1 18.048 -7.254 -25.851 1.00 0.00 C ATOM 0 H1 MET A 1 15.138 -9.592 -27.983 1.00 0.00 H new ATOM 0 H2 MET A 1 14.391 -9.994 -29.455 1.00 0.00 H new ATOM 0 H3 MET A 1 16.045 -9.611 -29.419 1.00 0.00 H new ATOM 0 HA MET A 1 14.357 -7.564 -28.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.459 -7.501 -30.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.821 -6.111 -29.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.516 -8.341 -28.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.048 -6.708 -28.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.847 -6.987 -24.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.204 -8.330 -25.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.942 -6.733 -26.193 1.00 0.00 H new ATOM 20 N GLY A 2 12.997 -6.696 -30.335 1.00 0.00 N ATOM 21 CA GLY A 2 11.990 -6.396 -31.363 1.00 0.00 C ATOM 22 C GLY A 2 12.477 -5.368 -32.388 1.00 0.00 C ATOM 23 O GLY A 2 13.159 -5.722 -33.352 1.00 0.00 O ATOM 0 H GLY A 2 13.072 -5.985 -29.608 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.719 -7.317 -31.879 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.086 -6.022 -30.882 1.00 0.00 H new ATOM 27 N GLN A 3 12.137 -4.088 -32.155 1.00 0.00 N ATOM 28 CA GLN A 3 12.504 -2.952 -33.044 1.00 0.00 C ATOM 29 C GLN A 3 14.039 -2.656 -32.969 1.00 0.00 C ATOM 30 O GLN A 3 14.686 -2.971 -31.963 1.00 0.00 O ATOM 31 CB GLN A 3 11.604 -1.739 -32.627 1.00 0.00 C ATOM 32 CG GLN A 3 11.718 -0.421 -33.446 1.00 0.00 C ATOM 33 CD GLN A 3 12.708 0.598 -32.867 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.862 0.650 -33.249 1.00 0.00 O ATOM 35 NE2 GLN A 3 12.260 1.406 -31.921 1.00 0.00 N ATOM 0 H GLN A 3 11.595 -3.802 -31.340 1.00 0.00 H new ATOM 0 HA GLN A 3 12.320 -3.182 -34.093 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.565 -2.066 -32.667 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.824 -1.504 -31.586 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.020 -0.665 -34.465 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.733 0.041 -33.507 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.289 1.345 -31.616 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.886 2.090 -31.496 1.00 0.00 H new ATOM 44 N GLY A 4 14.606 -2.071 -34.054 1.00 0.00 N ATOM 45 CA GLY A 4 16.072 -1.857 -34.192 1.00 0.00 C ATOM 46 C GLY A 4 16.668 -0.758 -33.293 1.00 0.00 C ATOM 47 O GLY A 4 16.232 -0.564 -32.157 1.00 0.00 O ATOM 0 H GLY A 4 14.067 -1.736 -34.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.581 -2.796 -33.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.289 -1.610 -35.231 1.00 0.00 H new ATOM 51 N GLN A 5 17.694 -0.043 -33.797 1.00 0.00 N ATOM 52 CA GLN A 5 18.402 1.001 -33.010 1.00 0.00 C ATOM 53 C GLN A 5 18.916 2.157 -33.911 1.00 0.00 C ATOM 54 O GLN A 5 19.209 1.958 -35.094 1.00 0.00 O ATOM 55 CB GLN A 5 19.578 0.373 -32.185 1.00 0.00 C ATOM 56 CG GLN A 5 20.798 -0.135 -33.000 1.00 0.00 C ATOM 57 CD GLN A 5 20.516 -1.335 -33.915 1.00 0.00 C ATOM 58 OE1 GLN A 5 19.692 -2.193 -33.613 1.00 0.00 O ATOM 59 NE2 GLN A 5 21.202 -1.403 -35.045 1.00 0.00 N ATOM 0 H GLN A 5 18.054 -0.165 -34.743 1.00 0.00 H new ATOM 0 HA GLN A 5 17.680 1.429 -32.314 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.930 1.117 -31.471 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.182 -0.462 -31.606 1.00 0.00 H new ATOM 0 HG2 GLN A 5 21.175 0.686 -33.610 1.00 0.00 H new ATOM 0 HG3 GLN A 5 21.592 -0.407 -32.305 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.881 -0.677 -35.274 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.051 -2.181 -35.687 1.00 0.00 H new ATOM 68 N ASN A 6 19.033 3.360 -33.321 1.00 0.00 N ATOM 69 CA ASN A 6 19.432 4.600 -34.045 1.00 0.00 C ATOM 70 C ASN A 6 20.852 5.069 -33.631 1.00 0.00 C ATOM 71 O ASN A 6 21.546 4.383 -32.877 1.00 0.00 O ATOM 72 CB ASN A 6 18.389 5.716 -33.775 1.00 0.00 C ATOM 73 CG ASN A 6 16.973 5.313 -34.196 1.00 0.00 C ATOM 74 OD1 ASN A 6 16.573 5.521 -35.331 1.00 0.00 O ATOM 75 ND2 ASN A 6 16.211 4.722 -33.292 1.00 0.00 N ATOM 0 H ASN A 6 18.855 3.510 -32.328 1.00 0.00 H new ATOM 0 HA ASN A 6 19.461 4.382 -35.112 1.00 0.00 H new ATOM 0 HB2 ASN A 6 18.392 5.962 -32.713 1.00 0.00 H new ATOM 0 HB3 ASN A 6 18.681 6.619 -34.312 1.00 0.00 H new ATOM 0 HD21 ASN A 6 15.265 4.428 -33.536 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.569 4.560 -32.351 1.00 0.00 H new ATOM 82 N VAL A 7 21.259 6.271 -34.111 1.00 0.00 N ATOM 83 CA VAL A 7 22.605 6.869 -33.826 1.00 0.00 C ATOM 84 C VAL A 7 22.716 7.425 -32.375 1.00 0.00 C ATOM 85 O VAL A 7 23.795 7.824 -31.924 1.00 0.00 O ATOM 86 CB VAL A 7 22.928 8.030 -34.853 1.00 0.00 C ATOM 87 CG1 VAL A 7 22.605 7.586 -36.299 1.00 0.00 C ATOM 88 CG2 VAL A 7 22.188 9.358 -34.500 1.00 0.00 C ATOM 0 H VAL A 7 20.672 6.857 -34.705 1.00 0.00 H new ATOM 0 HA VAL A 7 23.330 6.063 -33.934 1.00 0.00 H new ATOM 0 HB VAL A 7 23.996 8.234 -34.781 1.00 0.00 H new ATOM 0 HG11 VAL A 7 22.834 8.398 -36.989 1.00 0.00 H new ATOM 0 HG12 VAL A 7 23.206 6.713 -36.554 1.00 0.00 H new ATOM 0 HG13 VAL A 7 21.547 7.333 -36.374 1.00 0.00 H new ATOM 0 HG21 VAL A 7 22.443 10.123 -35.234 1.00 0.00 H new ATOM 0 HG22 VAL A 7 21.111 9.189 -34.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 22.493 9.692 -33.508 1.00 0.00 H new ATOM 98 N LEU A 8 21.579 7.409 -31.670 1.00 0.00 N ATOM 99 CA LEU A 8 21.363 8.108 -30.387 1.00 0.00 C ATOM 100 C LEU A 8 22.195 7.520 -29.217 1.00 0.00 C ATOM 101 O LEU A 8 22.438 8.203 -28.215 1.00 0.00 O ATOM 102 CB LEU A 8 19.856 8.048 -30.063 1.00 0.00 C ATOM 103 CG LEU A 8 18.911 8.526 -31.211 1.00 0.00 C ATOM 104 CD1 LEU A 8 17.449 8.297 -30.832 1.00 0.00 C ATOM 105 CD2 LEU A 8 19.168 10.003 -31.596 1.00 0.00 C ATOM 0 H LEU A 8 20.755 6.895 -31.982 1.00 0.00 H new ATOM 0 HA LEU A 8 21.703 9.138 -30.497 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.597 7.021 -29.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 19.666 8.657 -29.180 1.00 0.00 H new ATOM 0 HG LEU A 8 19.135 7.927 -32.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.805 8.636 -31.644 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.281 7.235 -30.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.216 8.857 -29.926 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.489 10.293 -32.398 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.998 10.640 -30.728 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.198 10.117 -31.934 1.00 0.00 H new ATOM 117 N GLY A 9 22.615 6.250 -29.356 1.00 0.00 N ATOM 118 CA GLY A 9 23.341 5.533 -28.297 1.00 0.00 C ATOM 119 C GLY A 9 22.386 4.815 -27.346 1.00 0.00 C ATOM 120 O GLY A 9 22.411 3.586 -27.221 1.00 0.00 O ATOM 0 H GLY A 9 22.462 5.697 -30.199 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.020 4.809 -28.747 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.954 6.237 -27.735 1.00 0.00 H new ATOM 124 N GLN A 10 21.532 5.614 -26.690 1.00 0.00 N ATOM 125 CA GLN A 10 20.459 5.124 -25.804 1.00 0.00 C ATOM 126 C GLN A 10 19.283 6.138 -25.785 1.00 0.00 C ATOM 127 O GLN A 10 19.504 7.352 -25.771 1.00 0.00 O ATOM 128 CB GLN A 10 21.029 4.858 -24.382 1.00 0.00 C ATOM 129 CG GLN A 10 21.637 6.088 -23.668 1.00 0.00 C ATOM 130 CD GLN A 10 22.345 5.733 -22.362 1.00 0.00 C ATOM 131 OE1 GLN A 10 23.542 5.470 -22.344 1.00 0.00 O ATOM 132 NE2 GLN A 10 21.616 5.688 -21.268 1.00 0.00 N ATOM 0 H GLN A 10 21.565 6.631 -26.759 1.00 0.00 H new ATOM 0 HA GLN A 10 20.068 4.179 -26.183 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.230 4.456 -23.759 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.795 4.086 -24.455 1.00 0.00 H new ATOM 0 HG2 GLN A 10 22.345 6.576 -24.337 1.00 0.00 H new ATOM 0 HG3 GLN A 10 20.846 6.809 -23.461 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.622 5.911 -21.308 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.045 5.430 -20.379 1.00 0.00 H new ATOM 141 N ASP A 11 18.039 5.625 -25.788 1.00 0.00 N ATOM 142 CA ASP A 11 16.814 6.458 -25.929 1.00 0.00 C ATOM 143 C ASP A 11 15.663 5.879 -25.062 1.00 0.00 C ATOM 144 O ASP A 11 15.735 4.721 -24.630 1.00 0.00 O ATOM 145 CB ASP A 11 16.433 6.526 -27.435 1.00 0.00 C ATOM 146 CG ASP A 11 15.378 7.593 -27.752 1.00 0.00 C ATOM 147 OD1 ASP A 11 15.743 8.770 -27.951 1.00 0.00 O ATOM 148 OD2 ASP A 11 14.181 7.271 -27.768 1.00 0.00 O ATOM 0 H ASP A 11 17.847 4.628 -25.694 1.00 0.00 H new ATOM 0 HA ASP A 11 17.000 7.470 -25.570 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.330 6.729 -28.020 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.060 5.552 -27.751 1.00 0.00 H new ATOM 153 N LEU A 12 14.606 6.684 -24.808 1.00 0.00 N ATOM 154 CA LEU A 12 13.518 6.292 -23.878 1.00 0.00 C ATOM 155 C LEU A 12 12.191 7.025 -24.253 1.00 0.00 C ATOM 156 O LEU A 12 11.909 8.121 -23.754 1.00 0.00 O ATOM 157 CB LEU A 12 13.985 6.570 -22.397 1.00 0.00 C ATOM 158 CG LEU A 12 13.358 5.685 -21.255 1.00 0.00 C ATOM 159 CD1 LEU A 12 14.228 5.725 -19.976 1.00 0.00 C ATOM 160 CD2 LEU A 12 11.907 6.109 -20.930 1.00 0.00 C ATOM 0 H LEU A 12 14.482 7.604 -25.230 1.00 0.00 H new ATOM 0 HA LEU A 12 13.308 5.226 -23.962 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.068 6.450 -22.358 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.771 7.614 -22.168 1.00 0.00 H new ATOM 0 HG LEU A 12 13.332 4.660 -21.626 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.770 5.105 -19.205 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.225 5.346 -20.202 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.303 6.752 -19.619 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.511 5.474 -20.137 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.897 7.148 -20.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.289 6.004 -21.822 1.00 0.00 H new ATOM 172 N GLU A 13 11.410 6.424 -25.181 1.00 0.00 N ATOM 173 CA GLU A 13 10.077 6.946 -25.614 1.00 0.00 C ATOM 174 C GLU A 13 8.926 6.230 -24.861 1.00 0.00 C ATOM 175 O GLU A 13 8.381 5.220 -25.330 1.00 0.00 O ATOM 176 CB GLU A 13 9.913 6.768 -27.149 1.00 0.00 C ATOM 177 CG GLU A 13 10.948 7.533 -27.983 1.00 0.00 C ATOM 178 CD GLU A 13 10.866 7.236 -29.490 1.00 0.00 C ATOM 179 OE1 GLU A 13 11.414 6.201 -29.934 1.00 0.00 O ATOM 180 OE2 GLU A 13 10.255 8.038 -30.238 1.00 0.00 O ATOM 0 H GLU A 13 11.680 5.562 -25.655 1.00 0.00 H new ATOM 0 HA GLU A 13 10.027 8.007 -25.370 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.981 5.707 -27.390 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.915 7.097 -27.437 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.811 8.603 -27.824 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.947 7.283 -27.626 1.00 0.00 H new ATOM 187 N VAL A 14 8.579 6.748 -23.678 1.00 0.00 N ATOM 188 CA VAL A 14 7.602 6.113 -22.755 1.00 0.00 C ATOM 189 C VAL A 14 6.242 6.859 -22.729 1.00 0.00 C ATOM 190 O VAL A 14 6.150 8.035 -23.090 1.00 0.00 O ATOM 191 CB VAL A 14 8.211 6.057 -21.302 1.00 0.00 C ATOM 192 CG1 VAL A 14 8.435 7.478 -20.718 1.00 0.00 C ATOM 193 CG2 VAL A 14 7.366 5.175 -20.346 1.00 0.00 C ATOM 0 H VAL A 14 8.964 7.623 -23.322 1.00 0.00 H new ATOM 0 HA VAL A 14 7.409 5.105 -23.122 1.00 0.00 H new ATOM 0 HB VAL A 14 9.188 5.582 -21.390 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.856 7.397 -19.716 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.124 8.030 -21.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.483 8.006 -20.670 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.825 5.167 -19.357 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.357 5.580 -20.274 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.322 4.157 -20.734 1.00 0.00 H new ATOM 203 N CYS A 15 5.184 6.145 -22.315 1.00 0.00 N ATOM 204 CA CYS A 15 3.882 6.754 -21.978 1.00 0.00 C ATOM 205 C CYS A 15 3.381 6.188 -20.631 1.00 0.00 C ATOM 206 O CYS A 15 3.042 6.962 -19.726 1.00 0.00 O ATOM 207 CB CYS A 15 2.857 6.523 -23.109 1.00 0.00 C ATOM 208 SG CYS A 15 3.368 7.186 -24.719 1.00 0.00 S ATOM 0 H CYS A 15 5.204 5.131 -22.204 1.00 0.00 H new ATOM 0 HA CYS A 15 4.006 7.832 -21.875 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.678 5.453 -23.209 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.909 6.980 -22.824 1.00 0.00 H new ATOM 0 HG CYS A 15 4.536 7.745 -24.607 1.00 0.00 H new ATOM 214 N CYS A 16 3.359 4.829 -20.512 1.00 0.00 N ATOM 215 CA CYS A 16 3.007 4.098 -19.245 1.00 0.00 C ATOM 216 C CYS A 16 1.598 4.491 -18.674 1.00 0.00 C ATOM 217 O CYS A 16 0.823 5.178 -19.347 1.00 0.00 O ATOM 218 CB CYS A 16 4.131 4.312 -18.189 1.00 0.00 C ATOM 219 SG CYS A 16 4.013 3.288 -16.695 1.00 0.00 S ATOM 0 H CYS A 16 3.583 4.205 -21.287 1.00 0.00 H new ATOM 0 HA CYS A 16 2.936 3.038 -19.487 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.093 4.119 -18.665 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.128 5.360 -17.890 1.00 0.00 H new ATOM 0 HG CYS A 16 3.243 3.874 -15.827 1.00 0.00 H new ATOM 225 N CYS A 17 1.270 3.996 -17.447 1.00 0.00 N ATOM 226 CA CYS A 17 0.023 4.331 -16.685 1.00 0.00 C ATOM 227 C CYS A 17 -1.243 3.645 -17.276 1.00 0.00 C ATOM 228 O CYS A 17 -1.889 2.826 -16.606 1.00 0.00 O ATOM 229 CB CYS A 17 -0.187 5.862 -16.541 1.00 0.00 C ATOM 230 SG CYS A 17 -1.643 6.331 -15.578 1.00 0.00 S ATOM 0 H CYS A 17 1.872 3.342 -16.948 1.00 0.00 H new ATOM 0 HA CYS A 17 0.170 3.925 -15.684 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.697 6.295 -16.073 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.268 6.300 -17.536 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.453 5.317 -15.494 1.00 0.00 H new ATOM 236 N ALA A 18 -1.595 3.998 -18.525 1.00 0.00 N ATOM 237 CA ALA A 18 -2.680 3.338 -19.281 1.00 0.00 C ATOM 238 C ALA A 18 -2.253 1.911 -19.752 1.00 0.00 C ATOM 239 O ALA A 18 -1.069 1.693 -20.049 1.00 0.00 O ATOM 240 CB ALA A 18 -3.073 4.218 -20.484 1.00 0.00 C ATOM 0 H ALA A 18 -1.136 4.749 -19.041 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.543 3.219 -18.627 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.873 3.733 -21.043 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.416 5.189 -20.128 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.208 4.355 -21.133 1.00 0.00 H new ATOM 246 N PRO A 19 -3.204 0.908 -19.793 1.00 0.00 N ATOM 247 CA PRO A 19 -2.908 -0.484 -20.262 1.00 0.00 C ATOM 248 C PRO A 19 -2.242 -0.555 -21.671 1.00 0.00 C ATOM 249 O PRO A 19 -2.885 -0.256 -22.688 1.00 0.00 O ATOM 250 CB PRO A 19 -4.306 -1.163 -20.263 1.00 0.00 C ATOM 251 CG PRO A 19 -5.077 -0.412 -19.219 1.00 0.00 C ATOM 252 CD PRO A 19 -4.626 1.031 -19.346 1.00 0.00 C ATOM 0 HA PRO A 19 -2.177 -0.971 -19.617 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.784 -1.091 -21.240 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.235 -2.223 -20.020 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.151 -0.504 -19.382 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.871 -0.802 -18.222 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.229 1.579 -20.070 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.705 1.562 -18.398 1.00 0.00 H new ATOM 260 N MET A 20 -0.938 -0.925 -21.678 1.00 0.00 N ATOM 261 CA MET A 20 -0.097 -1.102 -22.893 1.00 0.00 C ATOM 262 C MET A 20 -0.006 0.199 -23.748 1.00 0.00 C ATOM 263 O MET A 20 -0.792 0.407 -24.681 1.00 0.00 O ATOM 264 CB MET A 20 -0.588 -2.318 -23.738 1.00 0.00 C ATOM 265 CG MET A 20 0.325 -2.710 -24.917 1.00 0.00 C ATOM 266 SD MET A 20 -0.327 -4.096 -25.882 1.00 0.00 S ATOM 267 CE MET A 20 -0.359 -5.417 -24.665 1.00 0.00 C ATOM 0 H MET A 20 -0.426 -1.114 -20.816 1.00 0.00 H new ATOM 0 HA MET A 20 0.917 -1.316 -22.555 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.693 -3.180 -23.079 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.581 -2.092 -24.128 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.456 -1.848 -25.571 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.311 -2.972 -24.535 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.479 -6.375 -25.171 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.576 -5.418 -24.104 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.193 -5.261 -23.980 1.00 0.00 H new ATOM 277 N THR A 21 0.944 1.085 -23.386 1.00 0.00 N ATOM 278 CA THR A 21 1.223 2.340 -24.133 1.00 0.00 C ATOM 279 C THR A 21 2.681 2.813 -23.896 1.00 0.00 C ATOM 280 O THR A 21 3.261 2.579 -22.824 1.00 0.00 O ATOM 281 CB THR A 21 0.209 3.481 -23.764 1.00 0.00 C ATOM 282 OG1 THR A 21 0.472 4.664 -24.543 1.00 0.00 O ATOM 283 CG2 THR A 21 0.244 3.835 -22.266 1.00 0.00 C ATOM 0 H THR A 21 1.542 0.956 -22.570 1.00 0.00 H new ATOM 0 HA THR A 21 1.096 2.117 -25.192 1.00 0.00 H new ATOM 0 HB THR A 21 -0.786 3.101 -23.995 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.170 5.364 -24.302 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.475 4.629 -22.063 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.012 2.954 -21.678 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.244 4.173 -21.995 1.00 0.00 H new ATOM 291 N GLY A 22 3.254 3.507 -24.901 1.00 0.00 N ATOM 292 CA GLY A 22 4.694 3.818 -24.927 1.00 0.00 C ATOM 293 C GLY A 22 5.507 2.702 -25.586 1.00 0.00 C ATOM 294 O GLY A 22 5.132 1.524 -25.497 1.00 0.00 O ATOM 0 H GLY A 22 2.738 3.862 -25.706 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.854 4.751 -25.467 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.050 3.974 -23.909 1.00 0.00 H new ATOM 298 N TRP A 23 6.622 3.065 -26.251 1.00 0.00 N ATOM 299 CA TRP A 23 7.480 2.093 -26.962 1.00 0.00 C ATOM 300 C TRP A 23 8.123 1.068 -25.994 1.00 0.00 C ATOM 301 O TRP A 23 8.970 1.404 -25.170 1.00 0.00 O ATOM 302 CB TRP A 23 8.543 2.822 -27.832 1.00 0.00 C ATOM 303 CG TRP A 23 7.955 3.422 -29.092 1.00 0.00 C ATOM 304 CD1 TRP A 23 7.695 4.740 -29.364 1.00 0.00 C ATOM 305 CD2 TRP A 23 7.517 2.685 -30.247 1.00 0.00 C ATOM 306 NE1 TRP A 23 7.129 4.860 -30.608 1.00 0.00 N ATOM 307 CE2 TRP A 23 7.011 3.614 -31.170 1.00 0.00 C ATOM 308 CE3 TRP A 23 7.506 1.325 -30.584 1.00 0.00 C ATOM 309 CZ2 TRP A 23 6.502 3.227 -32.410 1.00 0.00 C ATOM 310 CZ3 TRP A 23 7.006 0.941 -31.813 1.00 0.00 C ATOM 311 CH2 TRP A 23 6.505 1.890 -32.714 1.00 0.00 C ATOM 0 H TRP A 23 6.951 4.028 -26.311 1.00 0.00 H new ATOM 0 HA TRP A 23 6.841 1.521 -27.635 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.010 3.611 -27.242 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.330 2.118 -28.103 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.905 5.563 -28.697 1.00 0.00 H new ATOM 0 HE1 TRP A 23 6.842 5.736 -31.045 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.883 0.587 -29.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.118 3.957 -33.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.001 -0.105 -32.083 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.114 1.562 -33.666 1.00 0.00 H new ATOM 322 N TYR A 24 7.687 -0.192 -26.139 1.00 0.00 N ATOM 323 CA TYR A 24 8.081 -1.334 -25.285 1.00 0.00 C ATOM 324 C TYR A 24 9.567 -1.756 -25.509 1.00 0.00 C ATOM 325 O TYR A 24 10.134 -2.523 -24.730 1.00 0.00 O ATOM 326 CB TYR A 24 7.093 -2.491 -25.602 1.00 0.00 C ATOM 327 CG TYR A 24 7.278 -3.785 -24.791 1.00 0.00 C ATOM 328 CD1 TYR A 24 6.965 -3.836 -23.430 1.00 0.00 C ATOM 329 CD2 TYR A 24 7.746 -4.959 -25.397 1.00 0.00 C ATOM 330 CE1 TYR A 24 7.115 -5.006 -22.709 1.00 0.00 C ATOM 331 CE2 TYR A 24 7.890 -6.126 -24.680 1.00 0.00 C ATOM 332 CZ TYR A 24 7.576 -6.148 -23.341 1.00 0.00 C ATOM 333 OH TYR A 24 7.719 -7.316 -22.633 1.00 0.00 O ATOM 0 H TYR A 24 7.031 -0.458 -26.874 1.00 0.00 H new ATOM 0 HA TYR A 24 8.024 -1.057 -24.232 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.078 -2.128 -25.441 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.180 -2.735 -26.661 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.601 -2.948 -22.934 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.999 -4.948 -26.447 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.873 -5.029 -21.657 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.248 -7.021 -25.167 1.00 0.00 H new ATOM 0 HH TYR A 24 8.052 -8.020 -23.228 1.00 0.00 H new ATOM 343 N ARG A 25 10.178 -1.231 -26.584 1.00 0.00 N ATOM 344 CA ARG A 25 11.587 -1.485 -26.943 1.00 0.00 C ATOM 345 C ARG A 25 12.546 -0.646 -26.046 1.00 0.00 C ATOM 346 O ARG A 25 13.383 -1.195 -25.321 1.00 0.00 O ATOM 347 CB ARG A 25 11.768 -1.147 -28.464 1.00 0.00 C ATOM 348 CG ARG A 25 13.035 -1.710 -29.166 1.00 0.00 C ATOM 349 CD ARG A 25 14.355 -1.011 -28.786 1.00 0.00 C ATOM 350 NE ARG A 25 15.482 -1.520 -29.586 1.00 0.00 N ATOM 351 CZ ARG A 25 16.591 -2.035 -29.118 1.00 0.00 C ATOM 352 NH1 ARG A 25 16.784 -2.213 -27.844 1.00 0.00 N ATOM 353 NH2 ARG A 25 17.515 -2.395 -29.947 1.00 0.00 N ATOM 0 H ARG A 25 9.702 -0.610 -27.238 1.00 0.00 H new ATOM 0 HA ARG A 25 11.840 -2.531 -26.773 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.893 -1.515 -28.999 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.775 -0.062 -28.571 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.122 -2.771 -28.930 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.898 -1.634 -30.245 1.00 0.00 H new ATOM 0 HD2 ARG A 25 14.256 0.064 -28.937 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.559 -1.167 -27.727 1.00 0.00 H new ATOM 0 HE ARG A 25 15.390 -1.466 -30.600 1.00 0.00 H new ATOM 0 HH11 ARG A 25 16.059 -1.949 -27.177 1.00 0.00 H new ATOM 0 HH12 ARG A 25 17.660 -2.617 -27.512 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.375 -2.276 -30.950 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.385 -2.798 -29.598 1.00 0.00 H new ATOM 367 N ASN A 26 12.407 0.691 -26.122 1.00 0.00 N ATOM 368 CA ASN A 26 13.361 1.658 -25.508 1.00 0.00 C ATOM 369 C ASN A 26 12.731 2.456 -24.339 1.00 0.00 C ATOM 370 O ASN A 26 13.425 2.818 -23.380 1.00 0.00 O ATOM 371 CB ASN A 26 13.889 2.637 -26.600 1.00 0.00 C ATOM 372 CG ASN A 26 12.781 3.417 -27.334 1.00 0.00 C ATOM 373 OD1 ASN A 26 11.678 2.926 -27.531 1.00 0.00 O ATOM 374 ND2 ASN A 26 13.062 4.632 -27.742 1.00 0.00 N ATOM 0 H ASN A 26 11.632 1.140 -26.610 1.00 0.00 H new ATOM 0 HA ASN A 26 14.186 1.081 -25.091 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.572 3.348 -26.136 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.466 2.071 -27.332 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.356 5.182 -28.231 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.987 5.027 -27.570 1.00 0.00 H new ATOM 381 N GLY A 27 11.418 2.717 -24.431 1.00 0.00 N ATOM 382 CA GLY A 27 10.709 3.559 -23.459 1.00 0.00 C ATOM 383 C GLY A 27 10.197 2.812 -22.228 1.00 0.00 C ATOM 384 O GLY A 27 10.868 2.786 -21.189 1.00 0.00 O ATOM 0 H GLY A 27 10.823 2.353 -25.175 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.377 4.356 -23.133 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.864 4.035 -23.957 1.00 0.00 H new ATOM 388 N PHE A 28 8.996 2.212 -22.355 1.00 0.00 N ATOM 389 CA PHE A 28 8.325 1.493 -21.252 1.00 0.00 C ATOM 390 C PHE A 28 9.165 0.265 -20.783 1.00 0.00 C ATOM 391 O PHE A 28 9.497 0.143 -19.591 1.00 0.00 O ATOM 392 CB PHE A 28 6.881 1.091 -21.687 1.00 0.00 C ATOM 393 CG PHE A 28 6.100 0.282 -20.646 1.00 0.00 C ATOM 394 CD1 PHE A 28 5.468 0.915 -19.575 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.010 -1.115 -20.729 1.00 0.00 C ATOM 396 CE1 PHE A 28 4.776 0.187 -18.622 1.00 0.00 C ATOM 397 CE2 PHE A 28 5.320 -1.842 -19.775 1.00 0.00 C ATOM 398 CZ PHE A 28 4.702 -1.190 -18.722 1.00 0.00 C ATOM 0 H PHE A 28 8.464 2.212 -23.225 1.00 0.00 H new ATOM 0 HA PHE A 28 8.245 2.156 -20.391 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.321 1.997 -21.918 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.942 0.510 -22.607 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.519 1.990 -19.488 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.486 -1.631 -21.550 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.294 0.695 -17.800 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.264 -2.918 -19.852 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.162 -1.757 -17.978 1.00 0.00 H new ATOM 408 N CYS A 29 9.497 -0.624 -21.750 1.00 0.00 N ATOM 409 CA CYS A 29 10.430 -1.774 -21.556 1.00 0.00 C ATOM 410 C CYS A 29 9.958 -2.798 -20.490 1.00 0.00 C ATOM 411 O CYS A 29 8.831 -2.739 -19.989 1.00 0.00 O ATOM 412 CB CYS A 29 11.857 -1.264 -21.205 1.00 0.00 C ATOM 413 SG CYS A 29 12.576 -0.162 -22.437 1.00 0.00 S ATOM 0 H CYS A 29 9.124 -0.567 -22.698 1.00 0.00 H new ATOM 0 HA CYS A 29 10.444 -2.306 -22.507 1.00 0.00 H new ATOM 0 HB2 CYS A 29 11.819 -0.744 -20.248 1.00 0.00 H new ATOM 0 HB3 CYS A 29 12.515 -2.123 -21.075 1.00 0.00 H new ATOM 0 HG CYS A 29 12.856 -0.837 -23.512 1.00 0.00 H new ATOM 419 N GLN A 30 10.835 -3.774 -20.200 1.00 0.00 N ATOM 420 CA GLN A 30 10.721 -4.640 -19.014 1.00 0.00 C ATOM 421 C GLN A 30 11.520 -4.024 -17.840 1.00 0.00 C ATOM 422 O GLN A 30 12.543 -4.567 -17.396 1.00 0.00 O ATOM 423 CB GLN A 30 11.207 -6.079 -19.358 1.00 0.00 C ATOM 424 CG GLN A 30 10.285 -6.851 -20.324 1.00 0.00 C ATOM 425 CD GLN A 30 8.924 -7.187 -19.705 1.00 0.00 C ATOM 426 OE1 GLN A 30 8.739 -8.250 -19.125 1.00 0.00 O ATOM 427 NE2 GLN A 30 7.972 -6.279 -19.804 1.00 0.00 N ATOM 0 H GLN A 30 11.645 -3.985 -20.783 1.00 0.00 H new ATOM 0 HA GLN A 30 9.678 -4.711 -18.706 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.203 -6.017 -19.797 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.301 -6.648 -18.433 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.132 -6.258 -21.225 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.778 -7.774 -20.630 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.153 -5.402 -20.292 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.055 -6.454 -19.392 1.00 0.00 H new ATOM 436 N THR A 31 11.060 -2.847 -17.371 1.00 0.00 N ATOM 437 CA THR A 31 11.650 -2.163 -16.202 1.00 0.00 C ATOM 438 C THR A 31 11.024 -2.720 -14.908 1.00 0.00 C ATOM 439 O THR A 31 10.081 -2.144 -14.346 1.00 0.00 O ATOM 440 CB THR A 31 11.462 -0.607 -16.263 1.00 0.00 C ATOM 441 OG1 THR A 31 11.968 -0.089 -17.507 1.00 0.00 O ATOM 442 CG2 THR A 31 12.177 0.104 -15.088 1.00 0.00 C ATOM 0 H THR A 31 10.275 -2.347 -17.788 1.00 0.00 H new ATOM 0 HA THR A 31 12.722 -2.357 -16.213 1.00 0.00 H new ATOM 0 HB THR A 31 10.393 -0.409 -16.187 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.237 -0.028 -18.157 1.00 0.00 H new ATOM 0 HG21 THR A 31 12.023 1.180 -15.166 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.768 -0.253 -14.143 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.244 -0.114 -15.126 1.00 0.00 H new ATOM 450 N ASP A 32 11.520 -3.890 -14.488 1.00 0.00 N ATOM 451 CA ASP A 32 11.047 -4.565 -13.271 1.00 0.00 C ATOM 452 C ASP A 32 11.941 -4.196 -12.057 1.00 0.00 C ATOM 453 O ASP A 32 11.837 -3.086 -11.516 1.00 0.00 O ATOM 454 CB ASP A 32 10.960 -6.100 -13.506 1.00 0.00 C ATOM 455 CG ASP A 32 10.044 -6.465 -14.679 1.00 0.00 C ATOM 456 OD1 ASP A 32 8.820 -6.577 -14.475 1.00 0.00 O ATOM 457 OD2 ASP A 32 10.545 -6.638 -15.812 1.00 0.00 O ATOM 0 H ASP A 32 12.258 -4.395 -14.979 1.00 0.00 H new ATOM 0 HA ASP A 32 10.041 -4.218 -13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.959 -6.492 -13.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.594 -6.582 -12.600 1.00 0.00 H new ATOM 462 N VAL A 33 12.861 -5.094 -11.675 1.00 0.00 N ATOM 463 CA VAL A 33 13.700 -4.936 -10.472 1.00 0.00 C ATOM 464 C VAL A 33 15.134 -4.457 -10.857 1.00 0.00 C ATOM 465 O VAL A 33 16.013 -4.305 -9.999 1.00 0.00 O ATOM 466 CB VAL A 33 13.721 -6.309 -9.692 1.00 0.00 C ATOM 467 CG1 VAL A 33 14.409 -7.427 -10.517 1.00 0.00 C ATOM 468 CG2 VAL A 33 14.343 -6.176 -8.281 1.00 0.00 C ATOM 0 H VAL A 33 13.047 -5.954 -12.191 1.00 0.00 H new ATOM 0 HA VAL A 33 13.283 -4.168 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 33 12.681 -6.602 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.404 -8.356 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.870 -7.573 -11.453 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.438 -7.139 -10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.334 -7.147 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.370 -5.823 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.763 -5.464 -7.693 1.00 0.00 H new ATOM 478 N GLN A 34 15.340 -4.151 -12.156 1.00 0.00 N ATOM 479 CA GLN A 34 16.671 -3.803 -12.702 1.00 0.00 C ATOM 480 C GLN A 34 16.794 -2.304 -13.098 1.00 0.00 C ATOM 481 O GLN A 34 17.495 -1.546 -12.419 1.00 0.00 O ATOM 482 CB GLN A 34 17.033 -4.748 -13.893 1.00 0.00 C ATOM 483 CG GLN A 34 15.931 -4.930 -14.965 1.00 0.00 C ATOM 484 CD GLN A 34 16.390 -5.803 -16.137 1.00 0.00 C ATOM 485 OE1 GLN A 34 16.237 -7.016 -16.120 1.00 0.00 O ATOM 486 NE2 GLN A 34 16.961 -5.193 -17.156 1.00 0.00 N ATOM 0 H GLN A 34 14.594 -4.138 -12.852 1.00 0.00 H new ATOM 0 HA GLN A 34 17.397 -3.956 -11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.928 -4.361 -14.380 1.00 0.00 H new ATOM 0 HB3 GLN A 34 17.288 -5.728 -13.490 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.051 -5.379 -14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.629 -3.952 -15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 34 17.076 -4.180 -17.144 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.288 -5.734 -17.956 1.00 0.00 H new ATOM 495 N ASP A 35 16.085 -1.870 -14.163 1.00 0.00 N ATOM 496 CA ASP A 35 16.368 -0.582 -14.851 1.00 0.00 C ATOM 497 C ASP A 35 15.827 0.669 -14.113 1.00 0.00 C ATOM 498 O ASP A 35 15.209 0.575 -13.057 1.00 0.00 O ATOM 499 CB ASP A 35 15.806 -0.619 -16.292 1.00 0.00 C ATOM 500 CG ASP A 35 16.397 -1.755 -17.134 1.00 0.00 C ATOM 501 OD1 ASP A 35 17.640 -1.821 -17.263 1.00 0.00 O ATOM 502 OD2 ASP A 35 15.628 -2.570 -17.681 1.00 0.00 O ATOM 0 H ASP A 35 15.309 -2.392 -14.569 1.00 0.00 H new ATOM 0 HA ASP A 35 17.453 -0.483 -14.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.722 -0.730 -16.251 1.00 0.00 H new ATOM 0 HB3 ASP A 35 16.011 0.333 -16.781 1.00 0.00 H new ATOM 507 N ARG A 36 16.106 1.848 -14.712 1.00 0.00 N ATOM 508 CA ARG A 36 15.634 3.173 -14.226 1.00 0.00 C ATOM 509 C ARG A 36 14.543 3.788 -15.155 1.00 0.00 C ATOM 510 O ARG A 36 14.269 4.993 -15.083 1.00 0.00 O ATOM 511 CB ARG A 36 16.861 4.144 -14.034 1.00 0.00 C ATOM 512 CG ARG A 36 18.019 3.991 -15.057 1.00 0.00 C ATOM 513 CD ARG A 36 17.623 4.279 -16.519 1.00 0.00 C ATOM 514 NE ARG A 36 18.716 3.953 -17.456 1.00 0.00 N ATOM 515 CZ ARG A 36 18.572 3.653 -18.731 1.00 0.00 C ATOM 516 NH1 ARG A 36 17.408 3.667 -19.308 1.00 0.00 N ATOM 517 NH2 ARG A 36 19.617 3.358 -19.432 1.00 0.00 N ATOM 0 H ARG A 36 16.672 1.912 -15.558 1.00 0.00 H new ATOM 0 HA ARG A 36 15.155 3.028 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.497 5.170 -14.079 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.265 3.993 -13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.828 4.664 -14.774 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.411 2.976 -14.993 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.737 3.698 -16.777 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.356 5.331 -16.623 1.00 0.00 H new ATOM 0 HE ARG A 36 19.666 3.961 -17.084 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.576 3.915 -18.772 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.326 3.430 -20.297 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.540 3.359 -18.997 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.519 3.124 -20.420 1.00 0.00 H new ATOM 531 N GLY A 37 13.925 2.949 -16.016 1.00 0.00 N ATOM 532 CA GLY A 37 12.807 3.378 -16.885 1.00 0.00 C ATOM 533 C GLY A 37 11.474 3.484 -16.125 1.00 0.00 C ATOM 534 O GLY A 37 11.461 3.752 -14.914 1.00 0.00 O ATOM 0 H GLY A 37 14.183 1.968 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.046 4.345 -17.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.697 2.670 -17.706 1.00 0.00 H new ATOM 538 N SER A 38 10.347 3.244 -16.819 1.00 0.00 N ATOM 539 CA SER A 38 9.000 3.299 -16.195 1.00 0.00 C ATOM 540 C SER A 38 8.752 2.088 -15.265 1.00 0.00 C ATOM 541 O SER A 38 8.480 0.972 -15.725 1.00 0.00 O ATOM 542 CB SER A 38 7.899 3.384 -17.273 1.00 0.00 C ATOM 543 OG SER A 38 7.983 2.313 -18.194 1.00 0.00 O ATOM 0 H SER A 38 10.336 3.010 -17.812 1.00 0.00 H new ATOM 0 HA SER A 38 8.961 4.201 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.920 3.376 -16.794 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.985 4.330 -17.807 1.00 0.00 H new ATOM 0 HG SER A 38 7.082 2.064 -18.490 1.00 0.00 H new ATOM 549 N HIS A 39 8.889 2.325 -13.951 1.00 0.00 N ATOM 550 CA HIS A 39 8.579 1.325 -12.908 1.00 0.00 C ATOM 551 C HIS A 39 7.053 1.180 -12.714 1.00 0.00 C ATOM 552 O HIS A 39 6.290 2.129 -12.931 1.00 0.00 O ATOM 553 CB HIS A 39 9.251 1.717 -11.570 1.00 0.00 C ATOM 554 CG HIS A 39 10.748 1.608 -11.580 1.00 0.00 C ATOM 555 ND1 HIS A 39 11.405 0.401 -11.452 1.00 0.00 N ATOM 556 CD2 HIS A 39 11.718 2.551 -11.684 1.00 0.00 C ATOM 557 CE1 HIS A 39 12.697 0.603 -11.469 1.00 0.00 C ATOM 558 NE2 HIS A 39 12.919 1.894 -11.613 1.00 0.00 N ATOM 0 H HIS A 39 9.218 3.215 -13.578 1.00 0.00 H new ATOM 0 HA HIS A 39 8.974 0.363 -13.235 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.974 2.742 -11.323 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.857 1.081 -10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.572 3.615 -11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.455 -0.161 -11.380 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.838 2.334 -11.664 1.00 0.00 H new ATOM 567 N THR A 40 6.623 -0.016 -12.293 1.00 0.00 N ATOM 568 CA THR A 40 5.191 -0.343 -12.088 1.00 0.00 C ATOM 569 C THR A 40 4.935 -0.837 -10.648 1.00 0.00 C ATOM 570 O THR A 40 5.672 -1.675 -10.127 1.00 0.00 O ATOM 571 CB THR A 40 4.689 -1.413 -13.127 1.00 0.00 C ATOM 572 OG1 THR A 40 3.378 -1.895 -12.773 1.00 0.00 O ATOM 573 CG2 THR A 40 5.666 -2.600 -13.284 1.00 0.00 C ATOM 0 H THR A 40 7.252 -0.791 -12.082 1.00 0.00 H new ATOM 0 HA THR A 40 4.625 0.575 -12.246 1.00 0.00 H new ATOM 0 HB THR A 40 4.639 -0.906 -14.091 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.084 -2.558 -13.432 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.267 -3.305 -14.013 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.633 -2.232 -13.626 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.788 -3.101 -12.323 1.00 0.00 H new ATOM 581 N VAL A 41 3.903 -0.274 -9.992 1.00 0.00 N ATOM 582 CA VAL A 41 3.466 -0.689 -8.638 1.00 0.00 C ATOM 583 C VAL A 41 1.936 -0.938 -8.647 1.00 0.00 C ATOM 584 O VAL A 41 1.139 0.012 -8.655 1.00 0.00 O ATOM 585 CB VAL A 41 3.824 0.388 -7.530 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.413 -0.108 -6.112 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.329 0.782 -7.571 1.00 0.00 C ATOM 0 H VAL A 41 3.345 0.484 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 41 4.001 -1.604 -8.385 1.00 0.00 H new ATOM 0 HB VAL A 41 3.248 1.286 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.670 0.650 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.338 -0.289 -6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.942 -1.033 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.533 1.522 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.942 -0.103 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.568 1.204 -8.547 1.00 0.00 H new ATOM 597 N CYS A 42 1.532 -2.220 -8.706 1.00 0.00 N ATOM 598 CA CYS A 42 0.118 -2.608 -8.544 1.00 0.00 C ATOM 599 C CYS A 42 -0.115 -3.037 -7.082 1.00 0.00 C ATOM 600 O CYS A 42 0.283 -4.128 -6.673 1.00 0.00 O ATOM 601 CB CYS A 42 -0.252 -3.761 -9.512 1.00 0.00 C ATOM 602 SG CYS A 42 -0.067 -3.344 -11.263 1.00 0.00 S ATOM 0 H CYS A 42 2.164 -3.005 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.519 -1.757 -8.784 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.374 -4.625 -9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.284 -4.059 -9.328 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.397 -4.370 -11.991 1.00 0.00 H new ATOM 608 N ALA A 43 -0.782 -2.173 -6.313 1.00 0.00 N ATOM 609 CA ALA A 43 -1.048 -2.387 -4.875 1.00 0.00 C ATOM 610 C ALA A 43 -2.481 -1.949 -4.564 1.00 0.00 C ATOM 611 O ALA A 43 -2.932 -0.908 -5.052 1.00 0.00 O ATOM 612 CB ALA A 43 -0.037 -1.599 -4.031 1.00 0.00 C ATOM 0 H ALA A 43 -1.159 -1.294 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.939 -3.443 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.241 -1.763 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.973 -1.938 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.124 -0.536 -4.257 1.00 0.00 H new ATOM 618 N GLU A 44 -3.204 -2.736 -3.762 1.00 0.00 N ATOM 619 CA GLU A 44 -4.654 -2.549 -3.596 1.00 0.00 C ATOM 620 C GLU A 44 -5.001 -2.203 -2.139 1.00 0.00 C ATOM 621 O GLU A 44 -4.890 -3.043 -1.239 1.00 0.00 O ATOM 622 CB GLU A 44 -5.398 -3.815 -4.097 1.00 0.00 C ATOM 623 CG GLU A 44 -6.820 -3.529 -4.583 1.00 0.00 C ATOM 624 CD GLU A 44 -7.421 -4.671 -5.424 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.785 -5.718 -4.851 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.521 -4.527 -6.666 1.00 0.00 O ATOM 0 H GLU A 44 -2.814 -3.506 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.984 -1.703 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.828 -4.265 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.438 -4.548 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.461 -3.347 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.816 -2.614 -5.176 1.00 0.00 H new ATOM 633 N MET A 45 -5.393 -0.937 -1.927 1.00 0.00 N ATOM 634 CA MET A 45 -5.760 -0.403 -0.604 1.00 0.00 C ATOM 635 C MET A 45 -7.278 -0.573 -0.387 1.00 0.00 C ATOM 636 O MET A 45 -8.073 -0.230 -1.273 1.00 0.00 O ATOM 637 CB MET A 45 -5.345 1.106 -0.501 1.00 0.00 C ATOM 638 CG MET A 45 -3.949 1.395 -1.102 1.00 0.00 C ATOM 639 SD MET A 45 -2.624 0.439 -0.338 1.00 0.00 S ATOM 640 CE MET A 45 -2.548 1.185 1.285 1.00 0.00 C ATOM 0 H MET A 45 -5.465 -0.248 -2.676 1.00 0.00 H new ATOM 0 HA MET A 45 -5.231 -0.954 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.088 1.717 -1.014 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.352 1.408 0.546 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.971 1.181 -2.171 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.729 2.457 -0.994 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.069 0.496 1.980 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.971 2.108 1.234 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.558 1.407 1.631 1.00 0.00 H new ATOM 650 N THR A 46 -7.679 -1.091 0.790 1.00 0.00 N ATOM 651 CA THR A 46 -9.110 -1.212 1.154 1.00 0.00 C ATOM 652 C THR A 46 -9.621 0.144 1.644 1.00 0.00 C ATOM 653 O THR A 46 -8.824 0.966 2.129 1.00 0.00 O ATOM 654 CB THR A 46 -9.366 -2.288 2.271 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.768 -2.350 2.594 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.568 -2.017 3.562 1.00 0.00 C ATOM 0 H THR A 46 -7.037 -1.432 1.505 1.00 0.00 H new ATOM 0 HA THR A 46 -9.644 -1.535 0.260 1.00 0.00 H new ATOM 0 HB THR A 46 -9.025 -3.239 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.914 -3.025 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.787 -2.794 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.501 -2.020 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.851 -1.045 3.967 1.00 0.00 H new ATOM 664 N GLU A 47 -10.949 0.370 1.529 1.00 0.00 N ATOM 665 CA GLU A 47 -11.575 1.678 1.842 1.00 0.00 C ATOM 666 C GLU A 47 -11.179 2.196 3.236 1.00 0.00 C ATOM 667 O GLU A 47 -11.067 3.385 3.406 1.00 0.00 O ATOM 668 CB GLU A 47 -13.121 1.634 1.717 1.00 0.00 C ATOM 669 CG GLU A 47 -13.821 3.008 1.902 1.00 0.00 C ATOM 670 CD GLU A 47 -15.358 2.914 1.913 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.936 2.656 2.990 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.991 3.065 0.842 1.00 0.00 O ATOM 0 H GLU A 47 -11.613 -0.340 1.220 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.190 2.374 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.382 1.236 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.513 0.938 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.485 3.456 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.511 3.677 1.099 1.00 0.00 H new ATOM 679 N GLU A 48 -10.932 1.281 4.194 1.00 0.00 N ATOM 680 CA GLU A 48 -10.512 1.626 5.581 1.00 0.00 C ATOM 681 C GLU A 48 -9.318 2.627 5.609 1.00 0.00 C ATOM 682 O GLU A 48 -9.328 3.592 6.379 1.00 0.00 O ATOM 683 CB GLU A 48 -10.142 0.335 6.354 1.00 0.00 C ATOM 684 CG GLU A 48 -11.247 -0.747 6.366 1.00 0.00 C ATOM 685 CD GLU A 48 -12.591 -0.228 6.913 1.00 0.00 C ATOM 686 OE1 GLU A 48 -12.701 -0.035 8.140 1.00 0.00 O ATOM 687 OE2 GLU A 48 -13.536 -0.007 6.120 1.00 0.00 O ATOM 0 H GLU A 48 -11.016 0.277 4.035 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.356 2.119 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.240 -0.090 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.900 0.600 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.393 -1.121 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.916 -1.590 6.972 1.00 0.00 H new ATOM 694 N PHE A 49 -8.307 2.391 4.747 1.00 0.00 N ATOM 695 CA PHE A 49 -7.162 3.314 4.590 1.00 0.00 C ATOM 696 C PHE A 49 -7.570 4.616 3.869 1.00 0.00 C ATOM 697 O PHE A 49 -7.068 5.684 4.197 1.00 0.00 O ATOM 698 CB PHE A 49 -5.994 2.637 3.839 1.00 0.00 C ATOM 699 CG PHE A 49 -4.799 3.567 3.605 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.028 4.016 4.681 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.482 4.037 2.326 1.00 0.00 C ATOM 702 CE1 PHE A 49 -2.974 4.888 4.483 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.433 4.915 2.135 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.681 5.340 3.214 1.00 0.00 C ATOM 0 H PHE A 49 -8.260 1.567 4.147 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.827 3.573 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.662 1.768 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.354 2.271 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.259 3.677 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.065 3.709 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.380 5.215 5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.200 5.270 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.862 6.028 3.063 1.00 0.00 H new ATOM 714 N LEU A 50 -8.450 4.514 2.866 1.00 0.00 N ATOM 715 CA LEU A 50 -8.942 5.694 2.115 1.00 0.00 C ATOM 716 C LEU A 50 -9.900 6.574 2.982 1.00 0.00 C ATOM 717 O LEU A 50 -10.087 7.760 2.706 1.00 0.00 O ATOM 718 CB LEU A 50 -9.547 5.281 0.737 1.00 0.00 C ATOM 719 CG LEU A 50 -8.525 4.683 -0.299 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.272 3.188 -0.065 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.960 4.958 -1.755 1.00 0.00 C ATOM 0 H LEU A 50 -8.842 3.627 2.549 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.087 6.330 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.334 4.547 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.020 6.156 0.291 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.578 5.197 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.560 2.819 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.866 3.040 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.210 2.641 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.229 4.530 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.935 4.505 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.024 6.034 -1.919 1.00 0.00 H new ATOM 733 N LEU A 51 -10.492 5.967 4.037 1.00 0.00 N ATOM 734 CA LEU A 51 -11.251 6.682 5.091 1.00 0.00 C ATOM 735 C LEU A 51 -10.262 7.462 6.008 1.00 0.00 C ATOM 736 O LEU A 51 -10.604 8.501 6.567 1.00 0.00 O ATOM 737 CB LEU A 51 -12.105 5.682 5.935 1.00 0.00 C ATOM 738 CG LEU A 51 -13.195 4.853 5.176 1.00 0.00 C ATOM 739 CD1 LEU A 51 -13.878 3.822 6.108 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.238 5.765 4.498 1.00 0.00 C ATOM 0 H LEU A 51 -10.456 4.958 4.182 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.933 7.388 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.424 4.982 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.599 6.245 6.727 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.683 4.300 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.628 3.265 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.130 3.131 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.357 4.343 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.977 5.152 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.735 6.373 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.740 6.415 3.779 1.00 0.00 H new ATOM 752 N PHE A 52 -9.044 6.916 6.179 1.00 0.00 N ATOM 753 CA PHE A 52 -7.908 7.630 6.815 1.00 0.00 C ATOM 754 C PHE A 52 -7.296 8.698 5.856 1.00 0.00 C ATOM 755 O PHE A 52 -6.789 9.726 6.305 1.00 0.00 O ATOM 756 CB PHE A 52 -6.832 6.609 7.261 1.00 0.00 C ATOM 757 CG PHE A 52 -5.584 7.213 7.917 1.00 0.00 C ATOM 758 CD1 PHE A 52 -5.682 7.949 9.102 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.313 7.037 7.356 1.00 0.00 C ATOM 760 CE1 PHE A 52 -4.555 8.484 9.700 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.189 7.574 7.957 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.310 8.299 9.128 1.00 0.00 C ATOM 0 H PHE A 52 -8.814 5.968 5.882 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.282 8.159 7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.288 5.909 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.521 6.031 6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.650 8.102 9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.209 6.474 6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.648 9.048 10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.216 7.427 7.511 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.432 8.721 9.596 1.00 0.00 H new ATOM 772 N SER A 53 -7.347 8.429 4.538 1.00 0.00 N ATOM 773 CA SER A 53 -6.795 9.336 3.495 1.00 0.00 C ATOM 774 C SER A 53 -7.630 10.626 3.358 1.00 0.00 C ATOM 775 O SER A 53 -7.081 11.705 3.105 1.00 0.00 O ATOM 776 CB SER A 53 -6.721 8.615 2.132 1.00 0.00 C ATOM 777 OG SER A 53 -5.868 7.479 2.180 1.00 0.00 O ATOM 0 H SER A 53 -7.769 7.581 4.159 1.00 0.00 H new ATOM 0 HA SER A 53 -5.790 9.616 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.722 8.305 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.359 9.309 1.373 1.00 0.00 H new ATOM 0 HG SER A 53 -6.212 6.839 2.838 1.00 0.00 H new ATOM 783 N ARG A 54 -8.968 10.498 3.504 1.00 0.00 N ATOM 784 CA ARG A 54 -9.881 11.663 3.565 1.00 0.00 C ATOM 785 C ARG A 54 -9.714 12.415 4.913 1.00 0.00 C ATOM 786 O ARG A 54 -9.854 13.637 4.978 1.00 0.00 O ATOM 787 CB ARG A 54 -11.367 11.223 3.365 1.00 0.00 C ATOM 788 CG ARG A 54 -11.948 10.405 4.532 1.00 0.00 C ATOM 789 CD ARG A 54 -13.434 10.041 4.403 1.00 0.00 C ATOM 790 NE ARG A 54 -13.910 9.399 5.648 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.108 8.919 5.869 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.998 8.860 4.935 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.395 8.459 7.041 1.00 0.00 N ATOM 0 H ARG A 54 -9.441 9.598 3.582 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.617 12.341 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.980 12.112 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.439 10.633 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.373 9.484 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.808 10.969 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.020 10.938 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.579 9.367 3.559 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.237 9.323 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.775 9.192 3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.923 8.481 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.692 8.473 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.324 8.082 7.227 1.00 0.00 H new ATOM 807 N ASP A 55 -9.407 11.644 5.978 1.00 0.00 N ATOM 808 CA ASP A 55 -9.208 12.160 7.350 1.00 0.00 C ATOM 809 C ASP A 55 -7.883 12.967 7.457 1.00 0.00 C ATOM 810 O ASP A 55 -7.780 13.913 8.245 1.00 0.00 O ATOM 811 CB ASP A 55 -9.236 10.956 8.329 1.00 0.00 C ATOM 812 CG ASP A 55 -9.137 11.346 9.811 1.00 0.00 C ATOM 813 OD1 ASP A 55 -10.114 11.917 10.350 1.00 0.00 O ATOM 814 OD2 ASP A 55 -8.097 11.067 10.445 1.00 0.00 O ATOM 0 H ASP A 55 -9.289 10.633 5.909 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.008 12.853 7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.159 10.397 8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.412 10.285 8.086 1.00 0.00 H new ATOM 819 N ARG A 56 -6.886 12.585 6.635 1.00 0.00 N ATOM 820 CA ARG A 56 -5.602 13.311 6.518 1.00 0.00 C ATOM 821 C ARG A 56 -5.761 14.553 5.596 1.00 0.00 C ATOM 822 O ARG A 56 -5.453 15.683 5.997 1.00 0.00 O ATOM 823 CB ARG A 56 -4.497 12.366 5.960 1.00 0.00 C ATOM 824 CG ARG A 56 -3.103 13.031 5.854 1.00 0.00 C ATOM 825 CD ARG A 56 -2.041 12.134 5.182 1.00 0.00 C ATOM 826 NE ARG A 56 -1.757 10.898 5.930 1.00 0.00 N ATOM 827 CZ ARG A 56 -0.876 10.775 6.906 1.00 0.00 C ATOM 828 NH1 ARG A 56 -0.230 11.796 7.377 1.00 0.00 N ATOM 829 NH2 ARG A 56 -0.654 9.612 7.405 1.00 0.00 N ATOM 0 H ARG A 56 -6.946 11.764 6.032 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.306 13.651 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.423 11.489 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.797 12.014 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.194 13.958 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.760 13.299 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.380 11.873 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.117 12.701 5.069 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.286 10.065 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.396 12.726 6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.445 11.669 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.155 8.799 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.024 9.502 8.159 1.00 0.00 H new ATOM 843 N GLY A 57 -6.245 14.315 4.357 1.00 0.00 N ATOM 844 CA GLY A 57 -6.399 15.373 3.343 1.00 0.00 C ATOM 845 C GLY A 57 -7.848 15.540 2.877 1.00 0.00 C ATOM 846 O GLY A 57 -8.605 16.327 3.455 1.00 0.00 O ATOM 0 H GLY A 57 -6.537 13.391 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.043 16.318 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.770 15.141 2.484 1.00 0.00 H new ATOM 850 N ASN A 58 -8.240 14.765 1.846 1.00 0.00 N ATOM 851 CA ASN A 58 -9.574 14.874 1.195 1.00 0.00 C ATOM 852 C ASN A 58 -9.972 13.506 0.566 1.00 0.00 C ATOM 853 O ASN A 58 -9.101 12.669 0.303 1.00 0.00 O ATOM 854 CB ASN A 58 -9.530 16.004 0.112 1.00 0.00 C ATOM 855 CG ASN A 58 -10.904 16.544 -0.332 1.00 0.00 C ATOM 856 OD1 ASN A 58 -11.918 15.861 -0.280 1.00 0.00 O ATOM 857 ND2 ASN A 58 -10.942 17.777 -0.797 1.00 0.00 N ATOM 0 H ASN A 58 -7.646 14.044 1.437 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.329 15.133 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.940 16.834 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.007 15.624 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.825 18.173 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.089 18.335 -0.834 1.00 0.00 H new ATOM 864 N ASP A 59 -11.289 13.276 0.370 1.00 0.00 N ATOM 865 CA ASP A 59 -11.828 12.042 -0.271 1.00 0.00 C ATOM 866 C ASP A 59 -11.256 11.832 -1.702 1.00 0.00 C ATOM 867 O ASP A 59 -10.917 12.790 -2.400 1.00 0.00 O ATOM 868 CB ASP A 59 -13.378 12.115 -0.312 1.00 0.00 C ATOM 869 CG ASP A 59 -14.056 10.877 -0.950 1.00 0.00 C ATOM 870 OD1 ASP A 59 -14.183 10.823 -2.195 1.00 0.00 O ATOM 871 OD2 ASP A 59 -14.479 9.962 -0.219 1.00 0.00 O ATOM 0 H ASP A 59 -12.014 13.937 0.650 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.516 11.186 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.752 12.236 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.674 13.004 -0.868 1.00 0.00 H new ATOM 876 N LEU A 60 -11.180 10.559 -2.124 1.00 0.00 N ATOM 877 CA LEU A 60 -10.690 10.177 -3.470 1.00 0.00 C ATOM 878 C LEU A 60 -11.556 9.041 -4.078 1.00 0.00 C ATOM 879 O LEU A 60 -11.836 9.044 -5.283 1.00 0.00 O ATOM 880 CB LEU A 60 -9.193 9.765 -3.387 1.00 0.00 C ATOM 881 CG LEU A 60 -8.488 9.432 -4.745 1.00 0.00 C ATOM 882 CD1 LEU A 60 -8.564 10.617 -5.738 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.026 8.983 -4.514 1.00 0.00 C ATOM 0 H LEU A 60 -11.454 9.763 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.777 11.038 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.642 10.573 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.114 8.893 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.027 8.600 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.063 10.346 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.608 10.853 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.074 11.488 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.559 8.758 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.474 9.782 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.014 8.092 -3.886 1.00 0.00 H new ATOM 895 N MET A 61 -11.992 8.084 -3.228 1.00 0.00 N ATOM 896 CA MET A 61 -12.742 6.882 -3.679 1.00 0.00 C ATOM 897 C MET A 61 -14.223 7.188 -4.028 1.00 0.00 C ATOM 898 O MET A 61 -14.751 6.631 -5.001 1.00 0.00 O ATOM 899 CB MET A 61 -12.648 5.725 -2.631 1.00 0.00 C ATOM 900 CG MET A 61 -13.249 6.012 -1.240 1.00 0.00 C ATOM 901 SD MET A 61 -12.341 7.279 -0.329 1.00 0.00 S ATOM 902 CE MET A 61 -13.205 7.277 1.240 1.00 0.00 C ATOM 0 H MET A 61 -11.838 8.118 -2.220 1.00 0.00 H new ATOM 0 HA MET A 61 -12.262 6.555 -4.601 1.00 0.00 H new ATOM 0 HB2 MET A 61 -13.146 4.848 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.597 5.464 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 61 -14.286 6.328 -1.356 1.00 0.00 H new ATOM 0 HG3 MET A 61 -13.260 5.091 -0.658 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.557 7.690 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 61 -14.107 7.884 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.478 6.255 1.504 1.00 0.00 H new ATOM 912 N THR A 62 -14.862 8.075 -3.229 1.00 0.00 N ATOM 913 CA THR A 62 -16.303 8.429 -3.355 1.00 0.00 C ATOM 914 C THR A 62 -17.216 7.173 -3.196 1.00 0.00 C ATOM 915 O THR A 62 -17.446 6.448 -4.171 1.00 0.00 O ATOM 916 CB THR A 62 -16.624 9.199 -4.695 1.00 0.00 C ATOM 917 OG1 THR A 62 -15.786 10.364 -4.799 1.00 0.00 O ATOM 918 CG2 THR A 62 -18.102 9.647 -4.792 1.00 0.00 C ATOM 0 H THR A 62 -14.392 8.571 -2.472 1.00 0.00 H new ATOM 0 HA THR A 62 -16.525 9.114 -2.537 1.00 0.00 H new ATOM 0 HB THR A 62 -16.431 8.501 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.303 10.496 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 62 -18.262 10.171 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 62 -18.751 8.772 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 62 -18.335 10.314 -3.962 1.00 0.00 H new ATOM 926 N PRO A 63 -17.697 6.862 -1.943 1.00 0.00 N ATOM 927 CA PRO A 63 -18.649 5.728 -1.679 1.00 0.00 C ATOM 928 C PRO A 63 -20.102 5.992 -2.210 1.00 0.00 C ATOM 929 O PRO A 63 -21.083 5.968 -1.453 1.00 0.00 O ATOM 930 CB PRO A 63 -18.604 5.580 -0.117 1.00 0.00 C ATOM 931 CG PRO A 63 -17.413 6.389 0.327 1.00 0.00 C ATOM 932 CD PRO A 63 -17.297 7.517 -0.671 1.00 0.00 C ATOM 0 HA PRO A 63 -18.359 4.820 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -19.522 5.950 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.501 4.535 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.554 6.772 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.508 5.781 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.953 8.350 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.283 7.913 -0.720 1.00 0.00 H new ATOM 940 N ARG A 64 -20.212 6.226 -3.532 1.00 0.00 N ATOM 941 CA ARG A 64 -21.482 6.522 -4.246 1.00 0.00 C ATOM 942 C ARG A 64 -21.503 5.779 -5.621 1.00 0.00 C ATOM 943 O ARG A 64 -20.452 5.287 -6.060 1.00 0.00 O ATOM 944 CB ARG A 64 -21.641 8.070 -4.451 1.00 0.00 C ATOM 945 CG ARG A 64 -21.838 8.893 -3.148 1.00 0.00 C ATOM 946 CD ARG A 64 -22.392 10.312 -3.406 1.00 0.00 C ATOM 947 NE ARG A 64 -21.524 11.128 -4.280 1.00 0.00 N ATOM 948 CZ ARG A 64 -21.949 12.001 -5.176 1.00 0.00 C ATOM 949 NH1 ARG A 64 -23.208 12.138 -5.448 1.00 0.00 N ATOM 950 NH2 ARG A 64 -21.097 12.718 -5.828 1.00 0.00 N ATOM 0 H ARG A 64 -19.404 6.216 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 64 -22.320 6.169 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -20.758 8.444 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -22.494 8.248 -5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -22.520 8.358 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.884 8.971 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -23.380 10.232 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -22.519 10.824 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.516 11.008 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -23.899 11.564 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.508 12.820 -6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.098 12.610 -5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.422 13.393 -6.520 1.00 0.00 H new ATOM 964 N PRO A 65 -22.686 5.687 -6.343 1.00 0.00 N ATOM 965 CA PRO A 65 -22.753 5.083 -7.716 1.00 0.00 C ATOM 966 C PRO A 65 -22.037 5.941 -8.806 1.00 0.00 C ATOM 967 O PRO A 65 -22.000 5.558 -9.985 1.00 0.00 O ATOM 968 CB PRO A 65 -24.280 4.968 -7.979 1.00 0.00 C ATOM 969 CG PRO A 65 -24.888 6.053 -7.144 1.00 0.00 C ATOM 970 CD PRO A 65 -24.039 6.126 -5.889 1.00 0.00 C ATOM 0 HA PRO A 65 -22.231 4.127 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -24.512 5.103 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -24.659 3.987 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -24.885 7.005 -7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -25.926 5.826 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -24.015 7.137 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -24.428 5.476 -5.106 1.00 0.00 H new ATOM 978 N GLU A 66 -21.498 7.104 -8.391 1.00 0.00 N ATOM 979 CA GLU A 66 -20.644 7.957 -9.235 1.00 0.00 C ATOM 980 C GLU A 66 -19.321 7.245 -9.610 1.00 0.00 C ATOM 981 O GLU A 66 -18.369 7.201 -8.818 1.00 0.00 O ATOM 982 CB GLU A 66 -20.327 9.283 -8.508 1.00 0.00 C ATOM 983 CG GLU A 66 -21.546 10.155 -8.182 1.00 0.00 C ATOM 984 CD GLU A 66 -22.353 10.586 -9.420 1.00 0.00 C ATOM 985 OE1 GLU A 66 -21.925 11.530 -10.120 1.00 0.00 O ATOM 986 OE2 GLU A 66 -23.418 9.993 -9.694 1.00 0.00 O ATOM 0 H GLU A 66 -21.645 7.479 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 66 -21.194 8.164 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -19.805 9.054 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -19.640 9.862 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -22.202 9.607 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -21.212 11.046 -7.650 1.00 0.00 H new ATOM 993 N PHE A 67 -19.307 6.655 -10.801 1.00 0.00 N ATOM 994 CA PHE A 67 -18.085 6.129 -11.445 1.00 0.00 C ATOM 995 C PHE A 67 -17.759 7.024 -12.659 1.00 0.00 C ATOM 996 O PHE A 67 -18.040 6.689 -13.816 1.00 0.00 O ATOM 997 CB PHE A 67 -18.252 4.635 -11.844 1.00 0.00 C ATOM 998 CG PHE A 67 -16.986 3.994 -12.434 1.00 0.00 C ATOM 999 CD1 PHE A 67 -15.881 3.714 -11.624 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -16.896 3.677 -13.794 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -14.737 3.141 -12.155 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -15.752 3.106 -14.319 1.00 0.00 C ATOM 1003 CZ PHE A 67 -14.673 2.836 -13.501 1.00 0.00 C ATOM 0 H PHE A 67 -20.149 6.522 -11.362 1.00 0.00 H new ATOM 0 HA PHE A 67 -17.251 6.157 -10.744 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -18.556 4.068 -10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -19.060 4.553 -12.571 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.920 3.948 -10.570 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -17.734 3.882 -14.444 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.893 2.932 -11.515 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.702 2.870 -15.372 1.00 0.00 H new ATOM 0 HZ PHE A 67 -13.781 2.387 -13.912 1.00 0.00 H new ATOM 1013 N ASN A 68 -17.221 8.209 -12.358 1.00 0.00 N ATOM 1014 CA ASN A 68 -16.858 9.230 -13.367 1.00 0.00 C ATOM 1015 C ASN A 68 -15.331 9.226 -13.615 1.00 0.00 C ATOM 1016 O ASN A 68 -14.777 10.198 -14.140 1.00 0.00 O ATOM 1017 CB ASN A 68 -17.340 10.621 -12.870 1.00 0.00 C ATOM 1018 CG ASN A 68 -18.843 10.664 -12.560 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -19.642 9.953 -13.163 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -19.237 11.489 -11.615 1.00 0.00 N ATOM 0 H ASN A 68 -17.020 8.497 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.345 9.001 -14.315 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.783 10.893 -11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -17.110 11.370 -13.628 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.225 11.548 -11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.555 12.070 -11.128 1.00 0.00 H new ATOM 1027 N PHE A 69 -14.687 8.082 -13.281 1.00 0.00 N ATOM 1028 CA PHE A 69 -13.219 7.902 -13.290 1.00 0.00 C ATOM 1029 C PHE A 69 -12.526 8.904 -12.316 1.00 0.00 C ATOM 1030 O PHE A 69 -12.078 9.979 -12.736 1.00 0.00 O ATOM 1031 CB PHE A 69 -12.626 7.998 -14.732 1.00 0.00 C ATOM 1032 CG PHE A 69 -13.246 7.014 -15.733 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -12.856 5.674 -15.754 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -14.215 7.431 -16.652 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -13.415 4.784 -16.655 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -14.773 6.539 -17.552 1.00 0.00 C ATOM 1037 CZ PHE A 69 -14.371 5.217 -17.555 1.00 0.00 C ATOM 0 H PHE A 69 -15.187 7.241 -12.992 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.013 6.893 -12.932 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.766 9.013 -15.103 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.552 7.821 -14.684 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.107 5.327 -15.057 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -14.532 8.463 -16.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.104 3.750 -16.655 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.523 6.877 -18.252 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.803 4.522 -18.260 1.00 0.00 H new ATOM 1047 N PRO A 70 -12.473 8.584 -10.978 1.00 0.00 N ATOM 1048 CA PRO A 70 -11.789 9.448 -9.975 1.00 0.00 C ATOM 1049 C PRO A 70 -10.240 9.355 -10.056 1.00 0.00 C ATOM 1050 O PRO A 70 -9.527 10.245 -9.571 1.00 0.00 O ATOM 1051 CB PRO A 70 -12.330 8.909 -8.626 1.00 0.00 C ATOM 1052 CG PRO A 70 -12.617 7.458 -8.889 1.00 0.00 C ATOM 1053 CD PRO A 70 -13.090 7.383 -10.336 1.00 0.00 C ATOM 0 HA PRO A 70 -11.992 10.508 -10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.598 9.030 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.229 9.442 -8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.726 6.849 -8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.380 7.081 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.763 6.461 -10.816 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.178 7.409 -10.403 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.739 8.286 -10.712 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.302 8.039 -10.845 1.00 0.00 C ATOM 1063 C GLY A 71 -7.702 7.445 -9.572 1.00 0.00 C ATOM 1064 O GLY A 71 -7.326 8.196 -8.665 1.00 0.00 O ATOM 0 H GLY A 71 -10.322 7.579 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.127 7.360 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.794 8.974 -11.083 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.631 6.093 -9.523 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.174 5.321 -8.342 1.00 0.00 C ATOM 1070 C LEU A 72 -8.132 5.492 -7.131 1.00 0.00 C ATOM 1071 O LEU A 72 -8.206 6.557 -6.518 1.00 0.00 O ATOM 1072 CB LEU A 72 -5.702 5.672 -7.968 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.116 4.991 -6.691 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.051 3.452 -6.831 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -3.739 5.599 -6.343 1.00 0.00 C ATOM 0 H LEU A 72 -7.892 5.501 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.198 4.267 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.066 5.411 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.633 6.752 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.794 5.192 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.637 3.021 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.054 3.059 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.416 3.190 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.342 5.115 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.052 5.445 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.849 6.667 -6.157 1.00 0.00 H new ATOM 1087 N LYS A 73 -8.877 4.423 -6.811 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.827 4.405 -5.681 1.00 0.00 C ATOM 1089 C LYS A 73 -9.723 3.080 -4.875 1.00 0.00 C ATOM 1090 O LYS A 73 -8.811 2.271 -5.101 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.262 4.645 -6.222 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.775 3.565 -7.190 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.192 3.865 -7.720 1.00 0.00 C ATOM 1094 CE LYS A 73 -13.794 2.687 -8.504 1.00 0.00 C ATOM 1095 NZ LYS A 73 -13.932 1.471 -7.659 1.00 0.00 N ATOM 0 H LYS A 73 -8.840 3.544 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.577 5.206 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.947 4.711 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.287 5.609 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.087 3.481 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.778 2.600 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.845 4.110 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.156 4.744 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.772 2.972 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.162 2.462 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.614 0.819 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.008 1.000 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.270 1.742 -6.714 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.659 2.881 -3.918 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.657 1.715 -3.005 1.00 0.00 C ATOM 1111 C ALA A 74 -10.932 0.391 -3.759 1.00 0.00 C ATOM 1112 O ALA A 74 -11.930 0.275 -4.479 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.683 1.932 -1.878 1.00 0.00 C ATOM 0 H ALA A 74 -11.435 3.523 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.662 1.629 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.677 1.071 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.422 2.829 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.677 2.050 -2.309 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.026 -0.593 -3.584 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.142 -1.905 -4.237 1.00 0.00 C ATOM 1121 C GLY A 75 -9.745 -1.901 -5.718 1.00 0.00 C ATOM 1122 O GLY A 75 -10.246 -2.716 -6.501 1.00 0.00 O ATOM 0 H GLY A 75 -9.202 -0.498 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.515 -2.621 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.171 -2.254 -4.148 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.831 -0.986 -6.097 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.310 -0.871 -7.480 1.00 0.00 C ATOM 1128 C ASP A 76 -6.753 -0.790 -7.483 1.00 0.00 C ATOM 1129 O ASP A 76 -6.183 0.263 -7.168 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.921 0.386 -8.164 1.00 0.00 C ATOM 1131 CG ASP A 76 -10.430 0.260 -8.462 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -11.246 0.338 -7.519 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.804 0.118 -9.642 1.00 0.00 O ATOM 0 H ASP A 76 -8.430 -0.303 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.600 -1.761 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.758 1.253 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.390 0.575 -9.097 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.061 -1.907 -7.827 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.573 -1.927 -7.904 1.00 0.00 C ATOM 1140 C ARG A 77 -4.057 -1.442 -9.289 1.00 0.00 C ATOM 1141 O ARG A 77 -3.804 -2.232 -10.204 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.025 -3.338 -7.549 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.591 -4.509 -8.384 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.013 -5.857 -7.942 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.521 -6.981 -8.747 1.00 0.00 N ATOM 1146 CZ ARG A 77 -5.053 -8.084 -8.272 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -5.281 -8.242 -7.002 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.385 -9.024 -9.089 1.00 0.00 N ATOM 0 H ARG A 77 -6.502 -2.798 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.192 -1.222 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.941 -3.325 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.232 -3.533 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.677 -4.531 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.366 -4.345 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.926 -5.824 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.257 -6.026 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.454 -6.895 -9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.046 -7.498 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.695 -9.110 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.234 -8.906 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.799 -9.886 -8.734 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.851 -0.119 -9.398 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.414 0.559 -10.651 1.00 0.00 C ATOM 1164 C TRP A 78 -2.809 1.932 -10.304 1.00 0.00 C ATOM 1165 O TRP A 78 -3.495 2.781 -9.721 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.590 0.769 -11.669 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.986 -0.457 -12.466 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -6.060 -1.285 -12.254 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -4.295 -0.988 -13.607 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -6.064 -2.295 -13.180 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -5.000 -2.130 -14.028 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.152 -0.599 -14.315 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -4.593 -2.897 -15.116 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -2.749 -1.357 -15.398 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.472 -2.494 -15.793 1.00 0.00 C ATOM 0 H TRP A 78 -3.982 0.524 -8.617 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.676 -0.089 -11.125 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.463 1.123 -11.121 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.309 1.559 -12.365 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.794 -1.159 -11.472 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -6.749 -3.049 -13.230 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.595 0.278 -14.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -5.141 -3.778 -15.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.865 -1.071 -15.949 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -3.138 -3.063 -16.648 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.521 2.124 -10.660 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.781 3.400 -10.463 1.00 0.00 C ATOM 1188 C CYS A 79 -0.736 3.859 -8.976 1.00 0.00 C ATOM 1189 O CYS A 79 -0.488 5.039 -8.694 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.371 4.505 -11.380 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.295 4.106 -13.143 1.00 0.00 S ATOM 0 H CYS A 79 -0.956 1.395 -11.096 1.00 0.00 H new ATOM 0 HA CYS A 79 0.256 3.218 -10.747 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.410 4.680 -11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.833 5.436 -11.204 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.635 5.150 -13.839 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.954 2.911 -8.039 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.894 3.180 -6.591 1.00 0.00 C ATOM 1199 C LEU A 80 0.566 3.492 -6.203 1.00 0.00 C ATOM 1200 O LEU A 80 1.448 2.636 -6.359 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.479 1.963 -5.777 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.641 2.100 -4.204 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.314 1.948 -3.429 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.353 3.408 -3.814 1.00 0.00 C ATOM 0 H LEU A 80 -1.176 1.942 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.509 4.045 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.460 1.731 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.840 1.101 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.270 1.261 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.503 2.053 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.112 0.965 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.386 2.719 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.444 3.463 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.774 4.259 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.346 3.430 -4.263 1.00 0.00 H new ATOM 1216 N CYS A 81 0.805 4.735 -5.738 1.00 0.00 N ATOM 1217 CA CYS A 81 2.132 5.174 -5.274 1.00 0.00 C ATOM 1218 C CYS A 81 2.546 4.343 -4.046 1.00 0.00 C ATOM 1219 O CYS A 81 1.890 4.418 -2.996 1.00 0.00 O ATOM 1220 CB CYS A 81 2.114 6.681 -4.915 1.00 0.00 C ATOM 1221 SG CYS A 81 1.480 7.753 -6.230 1.00 0.00 S ATOM 0 H CYS A 81 0.087 5.457 -5.675 1.00 0.00 H new ATOM 0 HA CYS A 81 2.855 5.023 -6.076 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.505 6.822 -4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.127 6.995 -4.663 1.00 0.00 H new ATOM 0 HG CYS A 81 1.504 8.990 -5.831 1.00 0.00 H new ATOM 1227 N ALA A 82 3.618 3.541 -4.207 1.00 0.00 N ATOM 1228 CA ALA A 82 4.118 2.613 -3.165 1.00 0.00 C ATOM 1229 C ALA A 82 4.341 3.312 -1.798 1.00 0.00 C ATOM 1230 O ALA A 82 4.073 2.734 -0.754 1.00 0.00 O ATOM 1231 CB ALA A 82 5.411 1.941 -3.652 1.00 0.00 C ATOM 0 H ALA A 82 4.166 3.517 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 82 3.351 1.856 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.778 1.259 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.209 1.384 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.165 2.703 -3.850 1.00 0.00 H new ATOM 1237 N SER A 83 4.785 4.578 -1.839 1.00 0.00 N ATOM 1238 CA SER A 83 5.017 5.412 -0.634 1.00 0.00 C ATOM 1239 C SER A 83 3.740 5.564 0.247 1.00 0.00 C ATOM 1240 O SER A 83 3.840 5.627 1.474 1.00 0.00 O ATOM 1241 CB SER A 83 5.543 6.806 -1.056 1.00 0.00 C ATOM 1242 OG SER A 83 6.740 6.703 -1.819 1.00 0.00 O ATOM 0 H SER A 83 4.997 5.061 -2.712 1.00 0.00 H new ATOM 0 HA SER A 83 5.763 4.901 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.781 7.322 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.727 7.411 -0.168 1.00 0.00 H new ATOM 0 HG SER A 83 7.045 7.599 -2.071 1.00 0.00 H new ATOM 1248 N ARG A 84 2.543 5.628 -0.382 1.00 0.00 N ATOM 1249 CA ARG A 84 1.253 5.729 0.354 1.00 0.00 C ATOM 1250 C ARG A 84 0.842 4.375 1.007 1.00 0.00 C ATOM 1251 O ARG A 84 0.137 4.355 2.019 1.00 0.00 O ATOM 1252 CB ARG A 84 0.108 6.298 -0.544 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.980 7.030 0.277 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.071 7.716 -0.567 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.851 8.655 0.263 1.00 0.00 N ATOM 1256 CZ ARG A 84 -3.854 9.404 -0.133 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -4.408 9.252 -1.297 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -4.325 10.298 0.671 1.00 0.00 N ATOM 0 H ARG A 84 2.440 5.612 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 84 1.415 6.441 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.532 6.987 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.350 5.482 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.455 6.313 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.499 7.781 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.613 8.251 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.733 6.964 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.583 8.730 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.066 8.534 -1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.186 9.851 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.918 10.414 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.104 10.888 0.378 1.00 0.00 H new ATOM 1272 N TRP A 85 1.251 3.251 0.396 1.00 0.00 N ATOM 1273 CA TRP A 85 1.126 1.909 1.021 1.00 0.00 C ATOM 1274 C TRP A 85 2.091 1.819 2.252 1.00 0.00 C ATOM 1275 O TRP A 85 1.647 1.523 3.369 1.00 0.00 O ATOM 1276 CB TRP A 85 1.354 0.820 -0.072 1.00 0.00 C ATOM 1277 CG TRP A 85 1.464 -0.637 0.380 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.146 -1.612 -0.286 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.906 -1.300 1.554 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.092 -2.791 0.401 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.353 -2.625 1.527 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.106 -0.912 2.626 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.031 -3.549 2.516 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.204 -1.826 3.596 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.262 -3.128 3.541 1.00 0.00 C ATOM 0 H TRP A 85 1.673 3.238 -0.533 1.00 0.00 H new ATOM 0 HA TRP A 85 0.126 1.735 1.418 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.534 0.887 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.267 1.073 -0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 85 2.658 -1.471 -1.226 1.00 0.00 H new ATOM 0 HE1 TRP A 85 2.538 -3.662 0.112 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.266 0.100 2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 1.385 -4.568 2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.827 -1.524 4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.006 -3.818 4.331 1.00 0.00 H new ATOM 1296 N GLN A 86 3.381 2.155 2.049 1.00 0.00 N ATOM 1297 CA GLN A 86 4.387 2.294 3.143 1.00 0.00 C ATOM 1298 C GLN A 86 3.883 3.198 4.320 1.00 0.00 C ATOM 1299 O GLN A 86 4.168 2.931 5.494 1.00 0.00 O ATOM 1300 CB GLN A 86 5.710 2.843 2.543 1.00 0.00 C ATOM 1301 CG GLN A 86 6.938 2.889 3.486 1.00 0.00 C ATOM 1302 CD GLN A 86 7.191 1.602 4.278 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.891 0.710 3.825 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.643 1.505 5.474 1.00 0.00 N ATOM 0 H GLN A 86 3.764 2.340 1.122 1.00 0.00 H new ATOM 0 HA GLN A 86 4.556 1.308 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.969 2.234 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.524 3.853 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.825 3.114 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.807 3.712 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.062 2.263 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.801 0.672 6.041 1.00 0.00 H new ATOM 1313 N GLU A 87 3.106 4.251 3.974 1.00 0.00 N ATOM 1314 CA GLU A 87 2.482 5.183 4.956 1.00 0.00 C ATOM 1315 C GLU A 87 1.599 4.430 5.994 1.00 0.00 C ATOM 1316 O GLU A 87 1.658 4.714 7.194 1.00 0.00 O ATOM 1317 CB GLU A 87 1.603 6.226 4.208 1.00 0.00 C ATOM 1318 CG GLU A 87 0.954 7.308 5.102 1.00 0.00 C ATOM 1319 CD GLU A 87 -0.246 8.020 4.447 1.00 0.00 C ATOM 1320 OE1 GLU A 87 -0.070 8.666 3.388 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -1.370 7.951 5.002 1.00 0.00 O ATOM 0 H GLU A 87 2.891 4.483 3.004 1.00 0.00 H new ATOM 0 HA GLU A 87 3.291 5.680 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.217 6.721 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.813 5.696 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.626 6.847 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.708 8.051 5.362 1.00 0.00 H new ATOM 1328 N ALA A 88 0.791 3.473 5.496 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.182 2.701 6.313 1.00 0.00 C ATOM 1330 C ALA A 88 0.497 1.776 7.353 1.00 0.00 C ATOM 1331 O ALA A 88 -0.028 1.600 8.457 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.101 1.890 5.400 1.00 0.00 C ATOM 0 H ALA A 88 0.791 3.208 4.511 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.767 3.426 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.811 1.327 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.644 2.565 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.505 1.199 4.804 1.00 0.00 H new ATOM 1338 N PHE A 89 1.646 1.177 6.983 1.00 0.00 N ATOM 1339 CA PHE A 89 2.479 0.369 7.915 1.00 0.00 C ATOM 1340 C PHE A 89 2.980 1.237 9.092 1.00 0.00 C ATOM 1341 O PHE A 89 2.882 0.851 10.262 1.00 0.00 O ATOM 1342 CB PHE A 89 3.681 -0.245 7.150 1.00 0.00 C ATOM 1343 CG PHE A 89 4.686 -1.021 8.011 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.309 -2.197 8.663 1.00 0.00 C ATOM 1345 CD2 PHE A 89 6.004 -0.573 8.172 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.211 -2.896 9.447 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.904 -1.275 8.959 1.00 0.00 C ATOM 1348 CZ PHE A 89 6.508 -2.438 9.594 1.00 0.00 C ATOM 0 H PHE A 89 2.026 1.235 6.038 1.00 0.00 H new ATOM 0 HA PHE A 89 1.867 -0.436 8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.296 -0.914 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.212 0.558 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.300 -2.566 8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.323 0.332 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.901 -3.802 9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.915 -0.913 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.210 -2.988 10.204 1.00 0.00 H new ATOM 1358 N GLU A 90 3.499 2.426 8.744 1.00 0.00 N ATOM 1359 CA GLU A 90 4.035 3.414 9.710 1.00 0.00 C ATOM 1360 C GLU A 90 2.916 4.054 10.572 1.00 0.00 C ATOM 1361 O GLU A 90 3.157 4.470 11.712 1.00 0.00 O ATOM 1362 CB GLU A 90 4.821 4.500 8.928 1.00 0.00 C ATOM 1363 CG GLU A 90 6.014 3.947 8.118 1.00 0.00 C ATOM 1364 CD GLU A 90 6.696 5.015 7.253 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.603 5.717 7.753 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.315 5.171 6.073 1.00 0.00 O ATOM 0 H GLU A 90 3.561 2.737 7.775 1.00 0.00 H new ATOM 0 HA GLU A 90 4.701 2.899 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.138 5.010 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.187 5.247 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.746 3.521 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.667 3.136 7.478 1.00 0.00 H new ATOM 1373 N ALA A 91 1.695 4.131 10.007 1.00 0.00 N ATOM 1374 CA ALA A 91 0.491 4.612 10.731 1.00 0.00 C ATOM 1375 C ALA A 91 -0.072 3.520 11.675 1.00 0.00 C ATOM 1376 O ALA A 91 -0.726 3.829 12.676 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.587 5.048 9.719 1.00 0.00 C ATOM 0 H ALA A 91 1.511 3.864 9.040 1.00 0.00 H new ATOM 0 HA ALA A 91 0.779 5.466 11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.468 5.400 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.197 5.852 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.860 4.201 9.090 1.00 0.00 H new ATOM 1383 N GLY A 92 0.201 2.243 11.335 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.276 1.093 12.114 1.00 0.00 C ATOM 1385 C GLY A 92 -1.691 0.629 11.733 1.00 0.00 C ATOM 1386 O GLY A 92 -2.414 0.077 12.569 1.00 0.00 O ATOM 0 H GLY A 92 0.755 1.986 10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.417 0.262 11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.262 1.352 13.173 1.00 0.00 H new ATOM 1390 N MET A 93 -2.076 0.826 10.457 1.00 0.00 N ATOM 1391 CA MET A 93 -3.405 0.409 9.933 1.00 0.00 C ATOM 1392 C MET A 93 -3.300 -0.192 8.504 1.00 0.00 C ATOM 1393 O MET A 93 -4.273 -0.173 7.737 1.00 0.00 O ATOM 1394 CB MET A 93 -4.382 1.611 9.964 1.00 0.00 C ATOM 1395 CG MET A 93 -4.016 2.787 9.044 1.00 0.00 C ATOM 1396 SD MET A 93 -5.331 4.018 8.977 1.00 0.00 S ATOM 1397 CE MET A 93 -6.704 3.033 8.363 1.00 0.00 C ATOM 0 H MET A 93 -1.483 1.275 9.759 1.00 0.00 H new ATOM 0 HA MET A 93 -3.794 -0.379 10.578 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.376 1.256 9.692 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.444 1.980 10.988 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.098 3.255 9.400 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.815 2.414 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.420 3.682 7.859 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.332 2.288 7.660 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.194 2.531 9.198 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.104 -0.725 8.193 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.772 -1.411 6.917 1.00 0.00 C ATOM 1409 C ALA A 94 -2.900 -2.348 6.351 1.00 0.00 C ATOM 1410 O ALA A 94 -3.238 -3.342 6.984 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.466 -2.209 7.115 1.00 0.00 C ATOM 0 H ALA A 94 -1.314 -0.693 8.838 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.658 -0.630 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.207 -2.719 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.339 -1.527 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.606 -2.945 7.907 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.537 -1.998 5.176 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.449 -2.919 4.414 1.00 0.00 C ATOM 1419 C PRO A 95 -3.766 -4.228 3.922 1.00 0.00 C ATOM 1420 O PRO A 95 -2.542 -4.288 3.847 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.879 -2.057 3.189 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.735 -0.659 3.669 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.494 -0.661 4.537 1.00 0.00 C ATOM 0 HA PRO A 95 -5.267 -3.264 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.246 -2.249 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.904 -2.273 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.630 0.035 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.611 -0.346 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.588 -0.525 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.517 0.140 5.276 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.548 -5.299 3.562 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.982 -6.507 2.922 1.00 0.00 C ATOM 1433 C PRO A 96 -3.601 -6.233 1.440 1.00 0.00 C ATOM 1434 O PRO A 96 -4.474 -5.924 0.620 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.124 -7.570 3.044 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.191 -6.929 3.896 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.015 -5.433 3.737 1.00 0.00 C ATOM 0 HA PRO A 96 -3.058 -6.841 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.515 -7.838 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.757 -8.488 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.185 -7.240 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.086 -7.225 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.563 -5.049 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.371 -4.887 4.611 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.296 -6.302 1.111 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.810 -6.141 -0.279 1.00 0.00 C ATOM 1447 C VAL A 97 -1.594 -7.536 -0.927 1.00 0.00 C ATOM 1448 O VAL A 97 -1.570 -8.567 -0.244 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.496 -5.257 -0.331 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.749 -6.006 0.199 1.00 0.00 C ATOM 1451 CG2 VAL A 97 -0.230 -4.665 -1.742 1.00 0.00 C ATOM 0 H VAL A 97 -1.554 -6.469 1.791 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.567 -5.610 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.682 -4.421 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.619 -5.353 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.584 -6.297 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.922 -6.897 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.682 -4.068 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.116 -5.476 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.069 -4.034 -2.036 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.469 -7.554 -2.253 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.290 -8.786 -3.046 1.00 0.00 C ATOM 1463 C VAL A 98 0.170 -8.879 -3.586 1.00 0.00 C ATOM 1464 O VAL A 98 0.504 -8.268 -4.596 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.388 -8.837 -4.190 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.464 -7.502 -4.982 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.196 -10.048 -5.136 1.00 0.00 C ATOM 0 H VAL A 98 -1.488 -6.707 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.435 -9.665 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.347 -8.974 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.228 -7.581 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.718 -6.689 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.499 -7.298 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.972 -10.038 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.217 -9.987 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.264 -10.972 -4.562 1.00 0.00 H new ATOM 1477 N LEU A 99 1.038 -9.636 -2.864 1.00 0.00 N ATOM 1478 CA LEU A 99 2.483 -9.832 -3.217 1.00 0.00 C ATOM 1479 C LEU A 99 2.696 -10.306 -4.684 1.00 0.00 C ATOM 1480 O LEU A 99 3.607 -9.835 -5.372 1.00 0.00 O ATOM 1481 CB LEU A 99 3.140 -10.867 -2.239 1.00 0.00 C ATOM 1482 CG LEU A 99 3.602 -10.325 -0.847 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.021 -11.483 0.092 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.743 -9.292 -0.999 1.00 0.00 C ATOM 0 H LEU A 99 0.761 -10.132 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 99 2.959 -8.857 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.428 -11.675 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.005 -11.304 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 99 2.752 -9.817 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.337 -11.076 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.175 -12.153 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.846 -12.036 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.043 -8.933 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.596 -9.761 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.396 -8.452 -1.601 1.00 0.00 H new ATOM 1496 N GLN A 100 1.834 -11.234 -5.142 1.00 0.00 N ATOM 1497 CA GLN A 100 1.932 -11.857 -6.493 1.00 0.00 C ATOM 1498 C GLN A 100 1.492 -10.901 -7.645 1.00 0.00 C ATOM 1499 O GLN A 100 1.543 -11.280 -8.817 1.00 0.00 O ATOM 1500 CB GLN A 100 1.108 -13.182 -6.512 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.380 -13.018 -6.132 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.151 -14.338 -6.094 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.238 -14.992 -5.061 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -1.719 -14.740 -7.213 1.00 0.00 N ATOM 0 H GLN A 100 1.047 -11.579 -4.592 1.00 0.00 H new ATOM 0 HA GLN A 100 2.984 -12.075 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.169 -13.618 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.569 -13.891 -5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.446 -12.540 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.857 -12.348 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.632 -14.178 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.246 -15.613 -7.233 1.00 0.00 H new ATOM 1513 N SER A 101 1.062 -9.671 -7.296 1.00 0.00 N ATOM 1514 CA SER A 101 0.757 -8.595 -8.282 1.00 0.00 C ATOM 1515 C SER A 101 1.606 -7.327 -8.007 1.00 0.00 C ATOM 1516 O SER A 101 1.872 -6.534 -8.919 1.00 0.00 O ATOM 1517 CB SER A 101 -0.750 -8.245 -8.253 1.00 0.00 C ATOM 1518 OG SER A 101 -1.079 -7.217 -9.181 1.00 0.00 O ATOM 0 H SER A 101 0.914 -9.389 -6.327 1.00 0.00 H new ATOM 0 HA SER A 101 1.014 -8.968 -9.274 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.333 -9.137 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.029 -7.928 -7.248 1.00 0.00 H new ATOM 0 HG SER A 101 -2.000 -7.340 -9.492 1.00 0.00 H new ATOM 1524 N THR A 102 2.026 -7.136 -6.736 1.00 0.00 N ATOM 1525 CA THR A 102 2.855 -5.981 -6.321 1.00 0.00 C ATOM 1526 C THR A 102 4.314 -6.193 -6.771 1.00 0.00 C ATOM 1527 O THR A 102 5.054 -6.994 -6.179 1.00 0.00 O ATOM 1528 CB THR A 102 2.789 -5.733 -4.770 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.413 -5.635 -4.347 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.532 -4.443 -4.348 1.00 0.00 C ATOM 0 H THR A 102 1.802 -7.774 -5.973 1.00 0.00 H new ATOM 0 HA THR A 102 2.452 -5.092 -6.806 1.00 0.00 H new ATOM 0 HB THR A 102 3.280 -6.580 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.991 -6.518 -4.398 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.457 -4.317 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.581 -4.518 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.082 -3.584 -4.846 1.00 0.00 H new ATOM 1538 N GLU A 103 4.698 -5.477 -7.840 1.00 0.00 N ATOM 1539 CA GLU A 103 6.025 -5.609 -8.482 1.00 0.00 C ATOM 1540 C GLU A 103 7.156 -5.132 -7.512 1.00 0.00 C ATOM 1541 O GLU A 103 6.931 -4.287 -6.641 1.00 0.00 O ATOM 1542 CB GLU A 103 6.041 -4.808 -9.842 1.00 0.00 C ATOM 1543 CG GLU A 103 6.834 -5.451 -11.016 1.00 0.00 C ATOM 1544 CD GLU A 103 8.331 -5.652 -10.740 1.00 0.00 C ATOM 1545 OE1 GLU A 103 9.047 -4.653 -10.619 1.00 0.00 O ATOM 1546 OE2 GLU A 103 8.780 -6.809 -10.568 1.00 0.00 O ATOM 0 H GLU A 103 4.097 -4.786 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 103 6.215 -6.659 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.010 -4.663 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.457 -3.819 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.388 -6.417 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.722 -4.823 -11.900 1.00 0.00 H new ATOM 1553 N LYS A 104 8.359 -5.697 -7.689 1.00 0.00 N ATOM 1554 CA LYS A 104 9.570 -5.409 -6.872 1.00 0.00 C ATOM 1555 C LYS A 104 10.052 -3.937 -7.018 1.00 0.00 C ATOM 1556 O LYS A 104 10.886 -3.470 -6.229 1.00 0.00 O ATOM 1557 CB LYS A 104 10.707 -6.401 -7.257 1.00 0.00 C ATOM 1558 CG LYS A 104 10.537 -7.867 -6.758 1.00 0.00 C ATOM 1559 CD LYS A 104 9.212 -8.538 -7.213 1.00 0.00 C ATOM 1560 CE LYS A 104 9.145 -10.040 -6.888 1.00 0.00 C ATOM 1561 NZ LYS A 104 10.128 -10.815 -7.693 1.00 0.00 N ATOM 0 H LYS A 104 8.532 -6.386 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 104 9.303 -5.545 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.795 -6.417 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.648 -6.013 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.376 -8.462 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.583 -7.877 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.374 -8.032 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.094 -8.401 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.341 -10.193 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.139 -10.411 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.945 -11.832 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.035 -10.557 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.092 -10.598 -7.367 1.00 0.00 H new ATOM 1575 N SER A 105 9.535 -3.234 -8.050 1.00 0.00 N ATOM 1576 CA SER A 105 9.694 -1.762 -8.218 1.00 0.00 C ATOM 1577 C SER A 105 9.185 -0.997 -6.973 1.00 0.00 C ATOM 1578 O SER A 105 9.698 0.079 -6.649 1.00 0.00 O ATOM 1579 CB SER A 105 8.916 -1.264 -9.466 1.00 0.00 C ATOM 1580 OG SER A 105 9.505 -1.699 -10.684 1.00 0.00 O ATOM 0 H SER A 105 8.992 -3.669 -8.796 1.00 0.00 H new ATOM 0 HA SER A 105 10.758 -1.566 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.888 -1.622 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.876 -0.175 -9.454 1.00 0.00 H new ATOM 0 HG SER A 105 10.153 -1.031 -10.991 1.00 0.00 H new ATOM 1586 N ALA A 106 8.165 -1.571 -6.298 1.00 0.00 N ATOM 1587 CA ALA A 106 7.616 -1.040 -5.036 1.00 0.00 C ATOM 1588 C ALA A 106 8.703 -0.894 -3.948 1.00 0.00 C ATOM 1589 O ALA A 106 8.731 0.108 -3.252 1.00 0.00 O ATOM 1590 CB ALA A 106 6.474 -1.934 -4.528 1.00 0.00 C ATOM 0 H ALA A 106 7.699 -2.420 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 106 7.225 -0.045 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.081 -1.528 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.679 -1.968 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.851 -2.942 -4.354 1.00 0.00 H new ATOM 1596 N LEU A 107 9.614 -1.894 -3.842 1.00 0.00 N ATOM 1597 CA LEU A 107 10.709 -1.936 -2.809 1.00 0.00 C ATOM 1598 C LEU A 107 11.665 -0.714 -2.870 1.00 0.00 C ATOM 1599 O LEU A 107 12.440 -0.490 -1.938 1.00 0.00 O ATOM 1600 CB LEU A 107 11.540 -3.258 -2.929 1.00 0.00 C ATOM 1601 CG LEU A 107 10.962 -4.523 -2.215 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.537 -4.863 -2.689 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.904 -5.741 -2.394 1.00 0.00 C ATOM 0 H LEU A 107 9.620 -2.701 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 107 10.204 -1.901 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.658 -3.490 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.537 -3.069 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 107 10.899 -4.285 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.180 -5.749 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.874 -4.024 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.547 -5.057 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.479 -6.608 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.017 -5.960 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.879 -5.513 -1.965 1.00 0.00 H new ATOM 1615 N ARG A 108 11.603 0.061 -3.962 1.00 0.00 N ATOM 1616 CA ARG A 108 12.465 1.252 -4.171 1.00 0.00 C ATOM 1617 C ARG A 108 11.845 2.520 -3.533 1.00 0.00 C ATOM 1618 O ARG A 108 12.484 3.567 -3.466 1.00 0.00 O ATOM 1619 CB ARG A 108 12.695 1.446 -5.690 1.00 0.00 C ATOM 1620 CG ARG A 108 13.396 0.241 -6.356 1.00 0.00 C ATOM 1621 CD ARG A 108 13.632 0.428 -7.864 1.00 0.00 C ATOM 1622 NE ARG A 108 14.454 -0.672 -8.429 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.383 -0.539 -9.356 1.00 0.00 C ATOM 1624 NH1 ARG A 108 15.639 0.605 -9.903 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.068 -1.564 -9.730 1.00 0.00 N ATOM 0 H ARG A 108 10.956 -0.113 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 108 13.423 1.089 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.735 1.615 -6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.296 2.341 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.354 0.070 -5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.793 -0.653 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.673 0.469 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.129 1.382 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 108 14.286 -1.612 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.117 1.434 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.363 0.678 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.892 -2.476 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.787 -1.463 -10.447 1.00 0.00 H new ATOM 1639 N TYR A 109 10.587 2.393 -3.072 1.00 0.00 N ATOM 1640 CA TYR A 109 9.808 3.476 -2.434 1.00 0.00 C ATOM 1641 C TYR A 109 9.352 3.017 -1.020 1.00 0.00 C ATOM 1642 O TYR A 109 9.443 3.776 -0.054 1.00 0.00 O ATOM 1643 CB TYR A 109 8.587 3.842 -3.327 1.00 0.00 C ATOM 1644 CG TYR A 109 8.956 4.177 -4.793 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.154 3.159 -5.740 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.133 5.496 -5.221 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.508 3.448 -7.046 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.482 5.787 -6.529 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.673 4.759 -7.435 1.00 0.00 C ATOM 1650 OH TYR A 109 10.033 5.044 -8.737 1.00 0.00 O ATOM 0 H TYR A 109 10.070 1.516 -3.133 1.00 0.00 H new ATOM 0 HA TYR A 109 10.427 4.367 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.884 3.009 -3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.072 4.697 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.027 2.129 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.995 6.304 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.654 2.649 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.605 6.814 -6.841 1.00 0.00 H new ATOM 0 HH TYR A 109 10.108 6.015 -8.851 1.00 0.00 H new ATOM 1660 N VAL A 110 8.835 1.764 -0.926 1.00 0.00 N ATOM 1661 CA VAL A 110 8.596 1.064 0.369 1.00 0.00 C ATOM 1662 C VAL A 110 9.874 0.325 0.866 1.00 0.00 C ATOM 1663 O VAL A 110 10.985 0.537 0.378 1.00 0.00 O ATOM 1664 CB VAL A 110 7.432 -0.027 0.288 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.128 0.506 -0.255 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.829 -1.271 -0.517 1.00 0.00 C ATOM 0 H VAL A 110 8.572 1.210 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 110 8.306 1.856 1.060 1.00 0.00 H new ATOM 0 HB VAL A 110 7.277 -0.308 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.389 -0.295 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.769 1.312 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.283 0.887 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.996 -1.974 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.080 -0.980 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.694 -1.745 -0.052 1.00 0.00 H new ATOM 1676 N SER A 111 9.661 -0.525 1.876 1.00 0.00 N ATOM 1677 CA SER A 111 10.522 -1.665 2.206 1.00 0.00 C ATOM 1678 C SER A 111 9.725 -2.966 1.988 1.00 0.00 C ATOM 1679 O SER A 111 8.497 -2.962 2.105 1.00 0.00 O ATOM 1680 CB SER A 111 10.972 -1.554 3.657 1.00 0.00 C ATOM 1681 OG SER A 111 11.778 -2.649 4.050 1.00 0.00 O ATOM 0 H SER A 111 8.862 -0.436 2.504 1.00 0.00 H new ATOM 0 HA SER A 111 11.405 -1.672 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.529 -0.627 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.097 -1.498 4.304 1.00 0.00 H new ATOM 0 HG SER A 111 12.047 -2.538 4.986 1.00 0.00 H new ATOM 1687 N LEU A 112 10.418 -4.062 1.648 1.00 0.00 N ATOM 1688 CA LEU A 112 9.800 -5.414 1.539 1.00 0.00 C ATOM 1689 C LEU A 112 8.936 -5.752 2.788 1.00 0.00 C ATOM 1690 O LEU A 112 7.850 -6.329 2.670 1.00 0.00 O ATOM 1691 CB LEU A 112 10.924 -6.473 1.303 1.00 0.00 C ATOM 1692 CG LEU A 112 10.545 -8.009 1.395 1.00 0.00 C ATOM 1693 CD1 LEU A 112 11.394 -8.863 0.429 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.698 -8.555 2.845 1.00 0.00 C ATOM 0 H LEU A 112 11.416 -4.049 1.440 1.00 0.00 H new ATOM 0 HA LEU A 112 9.120 -5.428 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.346 -6.294 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.716 -6.283 2.027 1.00 0.00 H new ATOM 0 HG LEU A 112 9.498 -8.086 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.106 -9.910 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.227 -8.529 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.449 -8.754 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.429 -9.611 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.731 -8.437 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.041 -8.000 3.514 1.00 0.00 H new ATOM 1706 N ALA A 113 9.440 -5.351 3.973 1.00 0.00 N ATOM 1707 CA ALA A 113 8.773 -5.573 5.280 1.00 0.00 C ATOM 1708 C ALA A 113 7.342 -4.978 5.346 1.00 0.00 C ATOM 1709 O ALA A 113 6.490 -5.526 6.041 1.00 0.00 O ATOM 1710 CB ALA A 113 9.642 -4.990 6.398 1.00 0.00 C ATOM 0 H ALA A 113 10.330 -4.859 4.054 1.00 0.00 H new ATOM 0 HA ALA A 113 8.662 -6.650 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.155 -5.152 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.615 -5.482 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.776 -3.921 6.234 1.00 0.00 H new ATOM 1716 N ASP A 114 7.098 -3.863 4.622 1.00 0.00 N ATOM 1717 CA ASP A 114 5.760 -3.239 4.528 1.00 0.00 C ATOM 1718 C ASP A 114 4.755 -4.182 3.825 1.00 0.00 C ATOM 1719 O ASP A 114 3.641 -4.400 4.320 1.00 0.00 O ATOM 1720 CB ASP A 114 5.888 -1.884 3.781 1.00 0.00 C ATOM 1721 CG ASP A 114 4.557 -1.310 3.260 1.00 0.00 C ATOM 1722 OD1 ASP A 114 3.662 -1.013 4.075 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.420 -1.134 2.037 1.00 0.00 O ATOM 0 H ASP A 114 7.818 -3.374 4.090 1.00 0.00 H new ATOM 0 HA ASP A 114 5.372 -3.057 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.344 -1.156 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.568 -2.011 2.939 1.00 0.00 H new ATOM 1728 N LEU A 115 5.194 -4.773 2.695 1.00 0.00 N ATOM 1729 CA LEU A 115 4.332 -5.633 1.856 1.00 0.00 C ATOM 1730 C LEU A 115 3.957 -6.913 2.631 1.00 0.00 C ATOM 1731 O LEU A 115 2.789 -7.275 2.758 1.00 0.00 O ATOM 1732 CB LEU A 115 5.048 -6.029 0.522 1.00 0.00 C ATOM 1733 CG LEU A 115 5.811 -4.910 -0.270 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.127 -5.349 -1.708 1.00 0.00 C ATOM 1735 CD2 LEU A 115 5.051 -3.590 -0.285 1.00 0.00 C ATOM 0 H LEU A 115 6.145 -4.670 2.341 1.00 0.00 H new ATOM 0 HA LEU A 115 3.433 -5.068 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.761 -6.821 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.298 -6.456 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 115 6.750 -4.751 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.656 -4.548 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.752 -6.242 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.198 -5.569 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.621 -2.849 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.080 -3.735 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.908 -3.241 0.738 1.00 0.00 H new ATOM 1747 N GLN A 116 4.995 -7.533 3.202 1.00 0.00 N ATOM 1748 CA GLN A 116 4.920 -8.844 3.880 1.00 0.00 C ATOM 1749 C GLN A 116 4.226 -8.751 5.263 1.00 0.00 C ATOM 1750 O GLN A 116 3.687 -9.745 5.760 1.00 0.00 O ATOM 1751 CB GLN A 116 6.361 -9.385 4.017 1.00 0.00 C ATOM 1752 CG GLN A 116 7.140 -9.464 2.670 1.00 0.00 C ATOM 1753 CD GLN A 116 7.107 -10.830 1.973 1.00 0.00 C ATOM 1754 OE1 GLN A 116 6.987 -11.877 2.606 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.265 -10.827 0.662 1.00 0.00 N ATOM 0 H GLN A 116 5.934 -7.134 3.209 1.00 0.00 H new ATOM 0 HA GLN A 116 4.310 -9.524 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.913 -8.747 4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.324 -10.379 4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.732 -8.717 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.180 -9.193 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.362 -9.943 0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.290 -11.708 0.149 1.00 0.00 H new ATOM 1764 N ALA A 117 4.267 -7.548 5.873 1.00 0.00 N ATOM 1765 CA ALA A 117 3.553 -7.243 7.149 1.00 0.00 C ATOM 1766 C ALA A 117 2.036 -7.548 7.073 1.00 0.00 C ATOM 1767 O ALA A 117 1.420 -7.955 8.067 1.00 0.00 O ATOM 1768 CB ALA A 117 3.749 -5.767 7.533 1.00 0.00 C ATOM 0 H ALA A 117 4.793 -6.756 5.503 1.00 0.00 H new ATOM 0 HA ALA A 117 3.987 -7.893 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.223 -5.561 8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.812 -5.563 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.352 -5.130 6.743 1.00 0.00 H new ATOM 1774 N HIS A 118 1.441 -7.340 5.882 1.00 0.00 N ATOM 1775 CA HIS A 118 -0.004 -7.574 5.647 1.00 0.00 C ATOM 1776 C HIS A 118 -0.249 -8.327 4.317 1.00 0.00 C ATOM 1777 O HIS A 118 -1.283 -8.145 3.663 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.782 -6.221 5.714 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.750 -6.148 6.866 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.392 -5.708 8.122 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -3.062 -6.482 6.951 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -2.431 -5.779 8.926 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -3.460 -6.238 8.240 1.00 0.00 N ATOM 0 H HIS A 118 1.942 -7.007 5.058 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.387 -8.220 6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.067 -5.402 5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.326 -6.076 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.678 -6.868 6.152 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.440 -5.507 9.971 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.399 -6.387 8.609 1.00 0.00 H new ATOM 1792 N ALA A 119 0.688 -9.216 3.967 1.00 0.00 N ATOM 1793 CA ALA A 119 0.537 -10.146 2.828 1.00 0.00 C ATOM 1794 C ALA A 119 1.342 -11.433 3.084 1.00 0.00 C ATOM 1795 O ALA A 119 2.526 -11.378 3.437 1.00 0.00 O ATOM 1796 CB ALA A 119 0.969 -9.487 1.512 1.00 0.00 C ATOM 0 H ALA A 119 1.574 -9.316 4.462 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.518 -10.405 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.847 -10.196 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.353 -8.607 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.015 -9.189 1.581 1.00 0.00 H new ATOM 1802 N LEU A 120 0.686 -12.588 2.902 1.00 0.00 N ATOM 1803 CA LEU A 120 1.286 -13.909 3.183 1.00 0.00 C ATOM 1804 C LEU A 120 2.205 -14.381 2.022 1.00 0.00 C ATOM 1805 O LEU A 120 1.916 -14.107 0.849 1.00 0.00 O ATOM 1806 CB LEU A 120 0.166 -14.952 3.497 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.370 -14.976 4.968 1.00 0.00 C ATOM 1808 CD1 LEU A 120 0.751 -15.362 5.956 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -1.041 -13.640 5.370 1.00 0.00 C ATOM 0 H LEU A 120 -0.273 -12.638 2.557 1.00 0.00 H new ATOM 0 HA LEU A 120 1.922 -13.816 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.675 -14.762 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.546 -15.945 3.256 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.144 -15.742 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.354 -15.372 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.132 -16.352 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.560 -14.635 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.396 -13.706 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.316 -12.830 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.883 -13.442 4.707 1.00 0.00 H new ATOM 1821 N PRO A 121 3.344 -15.092 2.345 1.00 0.00 N ATOM 1822 CA PRO A 121 4.313 -15.588 1.331 1.00 0.00 C ATOM 1823 C PRO A 121 3.677 -16.617 0.357 1.00 0.00 C ATOM 1824 O PRO A 121 3.472 -17.786 0.713 1.00 0.00 O ATOM 1825 CB PRO A 121 5.455 -16.222 2.190 1.00 0.00 C ATOM 1826 CG PRO A 121 5.275 -15.636 3.558 1.00 0.00 C ATOM 1827 CD PRO A 121 3.785 -15.463 3.718 1.00 0.00 C ATOM 0 HA PRO A 121 4.671 -14.793 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.377 -17.309 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 121 6.437 -15.981 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.680 -16.295 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.795 -14.682 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.306 -16.380 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 121 3.544 -14.686 4.444 1.00 0.00 H new ATOM 1835 N VAL A 122 3.309 -16.137 -0.841 1.00 0.00 N ATOM 1836 CA VAL A 122 2.694 -16.959 -1.906 1.00 0.00 C ATOM 1837 C VAL A 122 3.712 -17.986 -2.490 1.00 0.00 C ATOM 1838 O VAL A 122 4.909 -17.689 -2.605 1.00 0.00 O ATOM 1839 CB VAL A 122 2.099 -16.027 -3.039 1.00 0.00 C ATOM 1840 CG1 VAL A 122 3.191 -15.127 -3.683 1.00 0.00 C ATOM 1841 CG2 VAL A 122 1.323 -16.844 -4.106 1.00 0.00 C ATOM 0 H VAL A 122 3.429 -15.159 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 122 1.876 -17.532 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 122 1.381 -15.361 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.740 -14.504 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.636 -14.491 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.963 -15.754 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.930 -16.169 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.995 -17.564 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.498 -17.374 -3.630 1.00 0.00 H new ATOM 1851 N LEU A 123 3.221 -19.196 -2.833 1.00 0.00 N ATOM 1852 CA LEU A 123 4.069 -20.312 -3.304 1.00 0.00 C ATOM 1853 C LEU A 123 4.642 -20.031 -4.712 1.00 0.00 C ATOM 1854 O LEU A 123 3.910 -19.967 -5.707 1.00 0.00 O ATOM 1855 CB LEU A 123 3.274 -21.648 -3.283 1.00 0.00 C ATOM 1856 CG LEU A 123 4.088 -22.972 -3.599 1.00 0.00 C ATOM 1857 CD1 LEU A 123 3.613 -24.158 -2.733 1.00 0.00 C ATOM 1858 CD2 LEU A 123 4.031 -23.360 -5.107 1.00 0.00 C ATOM 0 H LEU A 123 2.228 -19.426 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 123 4.913 -20.403 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.819 -21.756 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.460 -21.570 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 123 5.125 -22.751 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.196 -25.045 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.749 -23.916 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.558 -24.351 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.604 -24.273 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.995 -23.525 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.455 -22.554 -5.706 1.00 0.00 H new ATOM 1870 N GLU A 124 5.960 -19.847 -4.750 1.00 0.00 N ATOM 1871 CA GLU A 124 6.752 -19.726 -5.984 1.00 0.00 C ATOM 1872 C GLU A 124 7.566 -21.026 -6.187 1.00 0.00 C ATOM 1873 O GLU A 124 7.393 -21.743 -7.182 1.00 0.00 O ATOM 1874 CB GLU A 124 7.684 -18.486 -5.864 1.00 0.00 C ATOM 1875 CG GLU A 124 8.643 -18.262 -7.050 1.00 0.00 C ATOM 1876 CD GLU A 124 9.479 -16.976 -6.917 1.00 0.00 C ATOM 1877 OE1 GLU A 124 10.548 -17.009 -6.264 1.00 0.00 O ATOM 1878 OE2 GLU A 124 9.072 -15.928 -7.467 1.00 0.00 O ATOM 0 H GLU A 124 6.526 -19.775 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 124 6.104 -19.588 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.064 -17.597 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.276 -18.584 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.314 -19.117 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.065 -18.219 -7.973 1.00 0.00 H new ATOM 1885 N HIS A 125 8.436 -21.311 -5.192 1.00 0.00 N ATOM 1886 CA HIS A 125 9.308 -22.505 -5.141 1.00 0.00 C ATOM 1887 C HIS A 125 10.120 -22.456 -3.827 1.00 0.00 C ATOM 1888 O HIS A 125 10.993 -21.592 -3.679 1.00 0.00 O ATOM 1889 CB HIS A 125 10.272 -22.566 -6.372 1.00 0.00 C ATOM 1890 CG HIS A 125 11.224 -23.740 -6.388 1.00 0.00 C ATOM 1891 ND1 HIS A 125 10.967 -24.918 -7.053 1.00 0.00 N ATOM 1892 CD2 HIS A 125 12.452 -23.903 -5.829 1.00 0.00 C ATOM 1893 CE1 HIS A 125 11.981 -25.745 -6.905 1.00 0.00 C ATOM 1894 NE2 HIS A 125 12.899 -25.155 -6.169 1.00 0.00 N ATOM 0 H HIS A 125 8.554 -20.702 -4.383 1.00 0.00 H new ATOM 0 HA HIS A 125 8.689 -23.402 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 125 9.672 -22.593 -7.282 1.00 0.00 H new ATOM 0 HB3 HIS A 125 10.855 -21.646 -6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.980 -23.179 -5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 125 12.048 -26.741 -7.318 1.00 0.00 H new ATOM 0 HE2 HIS A 125 13.794 -25.561 -5.897 1.00 0.00 H new ATOM 1903 N HIS A 126 9.829 -23.352 -2.863 1.00 0.00 N ATOM 1904 CA HIS A 126 10.631 -23.444 -1.617 1.00 0.00 C ATOM 1905 C HIS A 126 11.771 -24.483 -1.769 1.00 0.00 C ATOM 1906 O HIS A 126 11.535 -25.654 -2.088 1.00 0.00 O ATOM 1907 CB HIS A 126 9.746 -23.740 -0.369 1.00 0.00 C ATOM 1908 CG HIS A 126 9.070 -25.087 -0.320 1.00 0.00 C ATOM 1909 ND1 HIS A 126 7.837 -25.337 -0.884 1.00 0.00 N ATOM 1910 CD2 HIS A 126 9.449 -26.256 0.262 1.00 0.00 C ATOM 1911 CE1 HIS A 126 7.489 -26.587 -0.649 1.00 0.00 C ATOM 1912 NE2 HIS A 126 8.447 -27.163 0.039 1.00 0.00 N ATOM 0 H HIS A 126 9.056 -24.016 -2.917 1.00 0.00 H new ATOM 0 HA HIS A 126 11.087 -22.468 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 126 10.368 -23.639 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 126 8.976 -22.971 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 126 10.368 -26.436 0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 126 6.571 -27.057 -0.969 1.00 0.00 H new ATOM 0 HE2 HIS A 126 8.446 -28.132 0.357 1.00 0.00 H new ATOM 1921 N HIS A 127 13.014 -24.020 -1.585 1.00 0.00 N ATOM 1922 CA HIS A 127 14.208 -24.881 -1.516 1.00 0.00 C ATOM 1923 C HIS A 127 15.189 -24.304 -0.473 1.00 0.00 C ATOM 1924 O HIS A 127 15.596 -23.142 -0.573 1.00 0.00 O ATOM 1925 CB HIS A 127 14.898 -25.009 -2.903 1.00 0.00 C ATOM 1926 CG HIS A 127 16.120 -25.900 -2.897 1.00 0.00 C ATOM 1927 ND1 HIS A 127 17.398 -25.426 -2.672 1.00 0.00 N ATOM 1928 CD2 HIS A 127 16.252 -27.243 -3.056 1.00 0.00 C ATOM 1929 CE1 HIS A 127 18.254 -26.425 -2.695 1.00 0.00 C ATOM 1930 NE2 HIS A 127 17.589 -27.534 -2.924 1.00 0.00 N ATOM 0 H HIS A 127 13.224 -23.028 -1.478 1.00 0.00 H new ATOM 0 HA HIS A 127 13.900 -25.882 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 127 14.178 -25.400 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 127 15.186 -24.016 -3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 127 15.457 -27.948 -3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 127 19.321 -26.346 -2.550 1.00 0.00 H new ATOM 0 HE2 HIS A 127 18.000 -28.465 -2.993 1.00 0.00 H new ATOM 1939 N HIS A 128 15.549 -25.119 0.523 1.00 0.00 N ATOM 1940 CA HIS A 128 16.503 -24.740 1.582 1.00 0.00 C ATOM 1941 C HIS A 128 17.435 -25.936 1.886 1.00 0.00 C ATOM 1942 O HIS A 128 17.118 -27.083 1.551 1.00 0.00 O ATOM 1943 CB HIS A 128 15.716 -24.302 2.852 1.00 0.00 C ATOM 1944 CG HIS A 128 16.538 -23.572 3.884 1.00 0.00 C ATOM 1945 ND1 HIS A 128 17.287 -24.212 4.851 1.00 0.00 N ATOM 1946 CD2 HIS A 128 16.742 -22.247 4.078 1.00 0.00 C ATOM 1947 CE1 HIS A 128 17.915 -23.317 5.586 1.00 0.00 C ATOM 1948 NE2 HIS A 128 17.602 -22.122 5.138 1.00 0.00 N ATOM 0 H HIS A 128 15.187 -26.067 0.622 1.00 0.00 H new ATOM 0 HA HIS A 128 17.118 -23.902 1.253 1.00 0.00 H new ATOM 0 HB2 HIS A 128 14.889 -23.661 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 128 15.279 -25.187 3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 128 16.308 -21.441 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 128 18.574 -23.529 6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 128 17.945 -21.240 5.519 1.00 0.00 H new ATOM 1957 N HIS A 129 18.579 -25.665 2.527 1.00 0.00 N ATOM 1958 CA HIS A 129 19.548 -26.713 2.912 1.00 0.00 C ATOM 1959 C HIS A 129 20.193 -26.376 4.272 1.00 0.00 C ATOM 1960 O HIS A 129 20.550 -25.222 4.524 1.00 0.00 O ATOM 1961 CB HIS A 129 20.636 -26.857 1.814 1.00 0.00 C ATOM 1962 CG HIS A 129 21.636 -27.961 2.067 1.00 0.00 C ATOM 1963 ND1 HIS A 129 22.814 -27.770 2.754 1.00 0.00 N ATOM 1964 CD2 HIS A 129 21.630 -29.269 1.711 1.00 0.00 C ATOM 1965 CE1 HIS A 129 23.479 -28.904 2.813 1.00 0.00 C ATOM 1966 NE2 HIS A 129 22.788 -29.830 2.187 1.00 0.00 N ATOM 0 H HIS A 129 18.863 -24.722 2.794 1.00 0.00 H new ATOM 0 HA HIS A 129 19.021 -27.662 3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 129 20.147 -27.039 0.857 1.00 0.00 H new ATOM 0 HB3 HIS A 129 21.172 -25.912 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 129 20.856 -29.776 1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 129 24.434 -29.049 3.296 1.00 0.00 H new ATOM 0 HE2 HIS A 129 23.067 -30.805 2.074 1.00 0.00 H new ATOM 1975 N HIS A 130 20.323 -27.389 5.146 1.00 0.00 N ATOM 1976 CA HIS A 130 21.103 -27.278 6.401 1.00 0.00 C ATOM 1977 C HIS A 130 22.615 -27.540 6.108 1.00 0.00 C ATOM 1978 O HIS A 130 23.056 -28.712 6.140 1.00 0.00 O ATOM 1979 CB HIS A 130 20.553 -28.257 7.479 1.00 0.00 C ATOM 1980 CG HIS A 130 19.162 -27.935 7.970 1.00 0.00 C ATOM 1981 ND1 HIS A 130 18.913 -27.273 9.157 1.00 0.00 N ATOM 1982 CD2 HIS A 130 17.945 -28.185 7.429 1.00 0.00 C ATOM 1983 CE1 HIS A 130 17.613 -27.133 9.322 1.00 0.00 C ATOM 1984 NE2 HIS A 130 17.005 -27.675 8.291 1.00 0.00 N ATOM 1985 OXT HIS A 130 23.346 -26.573 5.799 1.00 0.00 O ATOM 0 H HIS A 130 19.895 -28.305 5.008 1.00 0.00 H new ATOM 0 HA HIS A 130 21.001 -26.268 6.797 1.00 0.00 H new ATOM 0 HB2 HIS A 130 20.554 -29.267 7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 130 21.233 -28.258 8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 130 17.751 -28.691 6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 130 17.130 -26.655 10.161 1.00 0.00 H new ATOM 0 HE2 HIS A 130 15.995 -27.711 8.153 1.00 0.00 H new TER 1994 HIS A 130