USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 740 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 13 HIS : no HD1:sc= -0.0202 K(o=-1.3,f=-5.7!) USER MOD Set 1.2: A 21 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD Set 2.1: A 6 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 2.2: A 8 GLN : amide:sc= 0.381 K(o=0.38,f=-0.41) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 124:sc= 0.375 USER MOD Single : A 17 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= 0.796 (180deg=-0.267) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00386 USER MOD Single : A 24 ASN : amide:sc= -1.84 K(o=-1.8,f=-7.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 SER OG : rot 70:sc= 1.2 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc=-0.00107 (180deg=-0.0575) USER MOD Single : A 42 ASN : amide:sc= -1.65 K(o=-1.7,f=-0.99) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.077 K(o=-0.077,f=-1.2) USER MOD Single : A 52 SER OG : rot 42:sc= 0.0548 USER MOD Single : A 55 SER OG : rot -93:sc= 0.0148 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 112:sc= 0.733 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 22:sc= -0.159! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -150:sc= 1.68 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.302 (180deg=-0.516) USER MOD Single : A 78 TYR OH : rot -162:sc= 0.076 USER MOD Single : A 83 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.2) USER MOD Single : A 84 HIS : no HD1:sc= -5.63! C(o=-5.6!,f=-9.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -36:sc= 0.128 USER MOD Single : A 89 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.52) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.018 (180deg=-0.296) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.654 -7.845 7.808 1.00 0.00 N ATOM 2 CA MET A 6 5.225 -7.638 7.991 1.00 0.00 C ATOM 3 C MET A 6 4.825 -6.222 7.592 1.00 0.00 C ATOM 4 O MET A 6 5.330 -5.246 8.150 1.00 0.00 O ATOM 5 CB MET A 6 4.845 -7.901 9.452 1.00 0.00 C ATOM 6 CG MET A 6 3.371 -7.692 9.762 1.00 0.00 C ATOM 7 SD MET A 6 2.982 -7.992 11.500 1.00 0.00 S ATOM 8 CE MET A 6 1.218 -7.674 11.519 1.00 0.00 C ATOM 0 HA MET A 6 4.689 -8.337 7.348 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.116 -8.925 9.707 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.436 -7.246 10.092 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.089 -6.672 9.500 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.774 -8.358 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.749 -8.272 12.300 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.041 -6.617 11.716 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.790 -7.939 10.552 1.00 0.00 H new ATOM 17 N ILE A 7 3.930 -6.115 6.619 1.00 0.00 N ATOM 18 CA ILE A 7 3.415 -4.817 6.202 1.00 0.00 C ATOM 19 C ILE A 7 2.194 -4.477 7.041 1.00 0.00 C ATOM 20 O ILE A 7 1.558 -5.373 7.600 1.00 0.00 O ATOM 21 CB ILE A 7 2.973 -4.796 4.710 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.737 -5.818 3.866 1.00 0.00 C ATOM 23 CG2 ILE A 7 3.149 -3.410 4.107 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.112 -6.063 2.500 1.00 0.00 C ATOM 0 H ILE A 7 3.546 -6.908 6.105 1.00 0.00 H new ATOM 0 HA ILE A 7 4.223 -4.098 6.335 1.00 0.00 H new ATOM 0 HB ILE A 7 1.917 -5.065 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.762 -5.473 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.787 -6.762 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.833 -3.424 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.543 -2.693 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.198 -3.119 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.705 -6.798 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.096 -6.438 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.087 -5.129 1.939 1.00 0.00 H new ATOM 36 N GLN A 8 1.868 -3.198 7.131 1.00 0.00 N ATOM 37 CA GLN A 8 0.666 -2.762 7.827 1.00 0.00 C ATOM 38 C GLN A 8 -0.003 -1.624 7.066 1.00 0.00 C ATOM 39 O GLN A 8 0.601 -0.573 6.839 1.00 0.00 O ATOM 40 CB GLN A 8 0.995 -2.327 9.257 1.00 0.00 C ATOM 41 CG GLN A 8 1.208 -3.498 10.220 1.00 0.00 C ATOM 42 CD GLN A 8 -0.063 -4.301 10.430 1.00 0.00 C ATOM 43 OE1 GLN A 8 -0.835 -4.029 11.348 1.00 0.00 O ATOM 44 NE2 GLN A 8 -0.296 -5.284 9.577 1.00 0.00 N ATOM 0 H GLN A 8 2.420 -2.440 6.730 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.026 -3.603 7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.894 -1.711 9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.186 -1.701 9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.989 -4.151 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.560 -3.119 11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.369 -5.478 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.141 -5.848 9.667 1.00 0.00 H new ATOM 53 N VAL A 9 -1.238 -1.854 6.645 1.00 0.00 N ATOM 54 CA VAL A 9 -2.019 -0.825 5.977 1.00 0.00 C ATOM 55 C VAL A 9 -2.953 -0.127 6.958 1.00 0.00 C ATOM 56 O VAL A 9 -3.400 -0.714 7.945 1.00 0.00 O ATOM 57 CB VAL A 9 -2.841 -1.378 4.781 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.973 -1.503 3.533 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.460 -2.722 5.130 1.00 0.00 C ATOM 0 H VAL A 9 -1.721 -2.746 6.755 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.301 -0.106 5.582 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.643 -0.670 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.573 -1.892 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.580 -0.523 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.145 -2.183 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.031 -3.091 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.671 -3.434 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.122 -2.606 5.988 1.00 0.00 H new ATOM 69 N TYR A 10 -3.236 1.128 6.664 1.00 0.00 N ATOM 70 CA TYR A 10 -4.058 1.988 7.508 1.00 0.00 C ATOM 71 C TYR A 10 -4.731 3.017 6.616 1.00 0.00 C ATOM 72 O TYR A 10 -4.416 3.103 5.425 1.00 0.00 O ATOM 73 CB TYR A 10 -3.216 2.735 8.560 1.00 0.00 C ATOM 74 CG TYR A 10 -2.654 1.882 9.697 1.00 0.00 C ATOM 75 CD1 TYR A 10 -3.469 1.041 10.455 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.300 1.940 10.025 1.00 0.00 C ATOM 77 CE1 TYR A 10 -2.949 0.283 11.498 1.00 0.00 C ATOM 78 CE2 TYR A 10 -0.777 1.185 11.062 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.604 0.362 11.794 1.00 0.00 C ATOM 80 OH TYR A 10 -1.083 -0.383 12.830 1.00 0.00 O ATOM 0 H TYR A 10 -2.898 1.590 5.820 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.783 1.366 8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.384 3.221 8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.830 3.525 8.994 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.523 0.978 10.228 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.646 2.587 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.594 -0.364 12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.276 1.242 11.296 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.121 -0.212 12.904 1.00 0.00 H new ATOM 90 N SER A 11 -5.640 3.802 7.168 1.00 0.00 N ATOM 91 CA SER A 11 -6.254 4.868 6.400 1.00 0.00 C ATOM 92 C SER A 11 -6.151 6.211 7.113 1.00 0.00 C ATOM 93 O SER A 11 -6.005 6.280 8.333 1.00 0.00 O ATOM 94 CB SER A 11 -7.716 4.552 6.113 1.00 0.00 C ATOM 95 OG SER A 11 -7.843 3.333 5.400 1.00 0.00 O ATOM 0 H SER A 11 -5.965 3.723 8.132 1.00 0.00 H new ATOM 0 HA SER A 11 -5.709 4.939 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.269 4.488 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.160 5.363 5.536 1.00 0.00 H new ATOM 0 HG SER A 11 -8.431 2.725 5.894 1.00 0.00 H new ATOM 101 N ARG A 12 -6.228 7.276 6.320 1.00 0.00 N ATOM 102 CA ARG A 12 -6.103 8.642 6.823 1.00 0.00 C ATOM 103 C ARG A 12 -7.446 9.145 7.355 1.00 0.00 C ATOM 104 O ARG A 12 -7.501 10.073 8.156 1.00 0.00 O ATOM 105 CB ARG A 12 -5.599 9.564 5.698 1.00 0.00 C ATOM 106 CG ARG A 12 -4.578 10.601 6.144 1.00 0.00 C ATOM 107 CD ARG A 12 -5.221 11.741 6.914 1.00 0.00 C ATOM 108 NE ARG A 12 -4.236 12.746 7.313 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.539 13.983 7.705 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.803 14.368 7.818 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.570 14.836 8.001 1.00 0.00 N ATOM 0 H ARG A 12 -6.378 7.218 5.313 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.385 8.650 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.156 8.951 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.453 10.079 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.824 10.122 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.062 11.000 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.989 12.209 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.719 11.347 7.800 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.251 12.482 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.556 13.714 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.022 15.318 8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.595 14.545 7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.799 15.784 8.301 1.00 0.00 H new ATOM 125 N HIS A 13 -8.521 8.525 6.894 1.00 0.00 N ATOM 126 CA HIS A 13 -9.874 8.918 7.279 1.00 0.00 C ATOM 127 C HIS A 13 -10.675 7.691 7.713 1.00 0.00 C ATOM 128 O HIS A 13 -10.231 6.559 7.505 1.00 0.00 O ATOM 129 CB HIS A 13 -10.581 9.594 6.099 1.00 0.00 C ATOM 130 CG HIS A 13 -9.864 10.786 5.545 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.367 10.788 4.261 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.606 11.986 6.120 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.822 11.980 4.086 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.945 12.735 5.184 1.00 0.00 N ATOM 0 H HIS A 13 -8.485 7.739 6.245 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.808 9.619 8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.711 8.862 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.578 9.901 6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.870 12.292 7.122 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.340 12.302 3.175 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.609 13.691 5.302 1.00 0.00 H new ATOM 142 N PRO A 14 -11.853 7.892 8.339 1.00 0.00 N ATOM 143 CA PRO A 14 -12.757 6.792 8.709 1.00 0.00 C ATOM 144 C PRO A 14 -13.451 6.193 7.483 1.00 0.00 C ATOM 145 O PRO A 14 -13.842 6.923 6.566 1.00 0.00 O ATOM 146 CB PRO A 14 -13.797 7.456 9.628 1.00 0.00 C ATOM 147 CG PRO A 14 -13.254 8.822 9.929 1.00 0.00 C ATOM 148 CD PRO A 14 -12.397 9.193 8.754 1.00 0.00 C ATOM 0 HA PRO A 14 -12.220 5.970 9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.769 7.519 9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.937 6.879 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.061 9.542 10.066 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.672 8.816 10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.977 9.663 7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.609 9.894 9.031 1.00 0.00 H new ATOM 156 N ALA A 15 -13.593 4.867 7.466 1.00 0.00 N ATOM 157 CA ALA A 15 -14.253 4.159 6.367 1.00 0.00 C ATOM 158 C ALA A 15 -15.723 4.563 6.234 1.00 0.00 C ATOM 159 O ALA A 15 -16.543 4.175 7.068 1.00 0.00 O ATOM 160 CB ALA A 15 -14.177 2.652 6.597 1.00 0.00 C ATOM 0 H ALA A 15 -13.256 4.256 8.210 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.734 4.430 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.670 2.133 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.133 2.344 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.674 2.401 7.534 1.00 0.00 H new ATOM 166 N GLU A 16 -16.062 5.357 5.218 1.00 0.00 N ATOM 167 CA GLU A 16 -17.469 5.665 4.947 1.00 0.00 C ATOM 168 C GLU A 16 -17.807 5.281 3.497 1.00 0.00 C ATOM 169 O GLU A 16 -17.373 5.957 2.564 1.00 0.00 O ATOM 170 CB GLU A 16 -17.739 7.169 5.195 1.00 0.00 C ATOM 171 CG GLU A 16 -19.156 7.530 5.633 1.00 0.00 C ATOM 172 CD GLU A 16 -20.208 7.187 4.599 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.988 6.239 4.821 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.273 7.887 3.569 1.00 0.00 O ATOM 0 H GLU A 16 -15.397 5.792 4.579 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.105 5.090 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.043 7.522 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.513 7.715 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.386 7.008 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.202 8.598 5.847 1.00 0.00 H new ATOM 181 N ASN A 17 -18.520 4.155 3.320 1.00 0.00 N ATOM 182 CA ASN A 17 -19.013 3.715 2.007 1.00 0.00 C ATOM 183 C ASN A 17 -19.501 4.891 1.144 1.00 0.00 C ATOM 184 O ASN A 17 -20.478 5.563 1.471 1.00 0.00 O ATOM 185 CB ASN A 17 -20.135 2.659 2.205 1.00 0.00 C ATOM 186 CG ASN A 17 -20.990 2.433 0.968 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.683 1.587 0.131 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.091 3.163 0.866 1.00 0.00 N ATOM 0 H ASN A 17 -18.769 3.526 4.083 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.183 3.262 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.682 1.712 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.778 2.975 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.718 3.032 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.312 3.856 1.581 1.00 0.00 H new ATOM 195 N GLY A 18 -18.782 5.149 0.047 1.00 0.00 N ATOM 196 CA GLY A 18 -19.148 6.222 -0.865 1.00 0.00 C ATOM 197 C GLY A 18 -18.125 7.342 -0.914 1.00 0.00 C ATOM 198 O GLY A 18 -18.123 8.143 -1.847 1.00 0.00 O ATOM 0 H GLY A 18 -17.948 4.629 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.275 5.811 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.112 6.632 -0.564 1.00 0.00 H new ATOM 202 N LYS A 19 -17.254 7.413 0.084 1.00 0.00 N ATOM 203 CA LYS A 19 -16.271 8.498 0.145 1.00 0.00 C ATOM 204 C LYS A 19 -14.999 8.123 -0.587 1.00 0.00 C ATOM 205 O LYS A 19 -14.646 6.948 -0.674 1.00 0.00 O ATOM 206 CB LYS A 19 -15.870 8.836 1.587 1.00 0.00 C ATOM 207 CG LYS A 19 -16.997 9.081 2.583 1.00 0.00 C ATOM 208 CD LYS A 19 -17.783 10.366 2.346 1.00 0.00 C ATOM 209 CE LYS A 19 -18.647 10.322 1.096 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.781 9.370 1.237 1.00 0.00 N ATOM 0 H LYS A 19 -17.204 6.746 0.854 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.753 9.358 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.255 8.020 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.241 9.726 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.686 8.237 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.577 9.107 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.417 10.560 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.086 11.201 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.034 11.319 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.035 10.033 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.799 8.728 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.663 8.816 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.675 9.899 1.282 1.00 0.00 H new ATOM 224 N SER A 20 -14.320 9.125 -1.119 1.00 0.00 N ATOM 225 CA SER A 20 -12.967 8.946 -1.590 1.00 0.00 C ATOM 226 C SER A 20 -11.976 9.471 -0.560 1.00 0.00 C ATOM 227 O SER A 20 -12.168 10.534 0.035 1.00 0.00 O ATOM 228 CB SER A 20 -12.761 9.602 -2.953 1.00 0.00 C ATOM 229 OG SER A 20 -13.608 10.730 -3.112 1.00 0.00 O ATOM 0 H SER A 20 -14.688 10.069 -1.233 1.00 0.00 H new ATOM 0 HA SER A 20 -12.787 7.879 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.720 9.907 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.963 8.878 -3.742 1.00 0.00 H new ATOM 0 HG SER A 20 -13.455 11.133 -3.992 1.00 0.00 H new ATOM 235 N ASN A 21 -10.917 8.709 -0.368 1.00 0.00 N ATOM 236 CA ASN A 21 -9.919 8.967 0.662 1.00 0.00 C ATOM 237 C ASN A 21 -8.622 8.337 0.171 1.00 0.00 C ATOM 238 O ASN A 21 -8.525 7.992 -1.008 1.00 0.00 O ATOM 239 CB ASN A 21 -10.316 8.341 2.009 1.00 0.00 C ATOM 240 CG ASN A 21 -11.766 8.561 2.422 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.668 7.853 1.978 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.997 9.504 3.314 1.00 0.00 N ATOM 0 H ASN A 21 -10.719 7.880 -0.929 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.821 10.040 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.126 7.269 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.668 8.747 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.945 9.662 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.227 10.075 3.663 1.00 0.00 H new ATOM 249 N PHE A 22 -7.646 8.140 1.050 1.00 0.00 N ATOM 250 CA PHE A 22 -6.354 7.605 0.622 1.00 0.00 C ATOM 251 C PHE A 22 -5.979 6.341 1.385 1.00 0.00 C ATOM 252 O PHE A 22 -6.075 6.299 2.616 1.00 0.00 O ATOM 253 CB PHE A 22 -5.260 8.660 0.795 1.00 0.00 C ATOM 254 CG PHE A 22 -5.313 9.738 -0.247 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.698 9.431 -1.539 1.00 0.00 C ATOM 256 CD2 PHE A 22 -4.970 11.045 0.057 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.746 10.405 -2.514 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.018 12.027 -0.914 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.406 11.707 -2.202 1.00 0.00 C ATOM 0 H PHE A 22 -7.719 8.338 2.048 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.445 7.343 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.352 9.112 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.285 8.174 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.965 8.415 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.663 11.299 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.049 10.151 -3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.753 13.044 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.443 12.473 -2.962 1.00 0.00 H new ATOM 269 N LEU A 23 -5.543 5.316 0.649 1.00 0.00 N ATOM 270 CA LEU A 23 -5.091 4.063 1.264 1.00 0.00 C ATOM 271 C LEU A 23 -3.593 4.130 1.507 1.00 0.00 C ATOM 272 O LEU A 23 -2.817 4.393 0.589 1.00 0.00 O ATOM 273 CB LEU A 23 -5.431 2.849 0.379 1.00 0.00 C ATOM 274 CG LEU A 23 -4.766 1.504 0.768 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.103 1.091 2.199 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.196 0.407 -0.196 1.00 0.00 C ATOM 0 H LEU A 23 -5.493 5.327 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.612 3.938 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.512 2.711 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.150 3.085 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.687 1.647 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.616 0.143 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.752 1.856 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.182 0.978 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.722 -0.533 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.279 0.293 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.895 0.674 -1.209 1.00 0.00 H new ATOM 288 N ASN A 24 -3.195 3.909 2.746 1.00 0.00 N ATOM 289 CA ASN A 24 -1.804 4.071 3.137 1.00 0.00 C ATOM 290 C ASN A 24 -1.160 2.740 3.546 1.00 0.00 C ATOM 291 O ASN A 24 -1.624 2.070 4.468 1.00 0.00 O ATOM 292 CB ASN A 24 -1.712 5.102 4.274 1.00 0.00 C ATOM 293 CG ASN A 24 -1.939 6.527 3.793 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.000 7.230 3.432 1.00 0.00 O ATOM 295 ND2 ASN A 24 -3.189 6.964 3.782 1.00 0.00 N ATOM 0 H ASN A 24 -3.815 3.616 3.501 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.245 4.432 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.449 4.859 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.731 5.033 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.395 7.912 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.946 6.353 4.089 1.00 0.00 H new ATOM 302 N CYS A 25 -0.094 2.365 2.836 1.00 0.00 N ATOM 303 CA CYS A 25 0.681 1.155 3.148 1.00 0.00 C ATOM 304 C CYS A 25 2.077 1.540 3.626 1.00 0.00 C ATOM 305 O CYS A 25 2.787 2.277 2.940 1.00 0.00 O ATOM 306 CB CYS A 25 0.838 0.250 1.925 1.00 0.00 C ATOM 307 SG CYS A 25 1.931 -1.172 2.253 1.00 0.00 S ATOM 0 H CYS A 25 0.258 2.886 2.032 1.00 0.00 H new ATOM 0 HA CYS A 25 0.136 0.618 3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.142 -0.112 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.240 0.831 1.095 1.00 0.00 H new ATOM 312 N TYR A 26 2.467 1.052 4.791 1.00 0.00 N ATOM 313 CA TYR A 26 3.809 1.321 5.308 1.00 0.00 C ATOM 314 C TYR A 26 4.711 0.132 5.082 1.00 0.00 C ATOM 315 O TYR A 26 4.436 -0.967 5.564 1.00 0.00 O ATOM 316 CB TYR A 26 3.810 1.636 6.810 1.00 0.00 C ATOM 317 CG TYR A 26 2.903 2.766 7.224 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.585 2.520 7.576 1.00 0.00 C ATOM 319 CD2 TYR A 26 3.364 4.075 7.265 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.745 3.549 7.953 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.531 5.111 7.646 1.00 0.00 C ATOM 322 CZ TYR A 26 1.222 4.842 7.986 1.00 0.00 C ATOM 323 OH TYR A 26 0.386 5.869 8.365 1.00 0.00 O ATOM 0 H TYR A 26 1.885 0.473 5.396 1.00 0.00 H new ATOM 0 HA TYR A 26 4.172 2.194 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.518 0.738 7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.828 1.877 7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.209 1.508 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.388 4.287 6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.281 3.342 8.221 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.903 6.124 7.677 1.00 0.00 H new ATOM 0 HH TYR A 26 0.876 6.717 8.336 1.00 0.00 H new ATOM 333 N VAL A 27 5.797 0.355 4.373 1.00 0.00 N ATOM 334 CA VAL A 27 6.773 -0.684 4.137 1.00 0.00 C ATOM 335 C VAL A 27 8.079 -0.283 4.827 1.00 0.00 C ATOM 336 O VAL A 27 8.764 0.638 4.381 1.00 0.00 O ATOM 337 CB VAL A 27 6.999 -0.874 2.620 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.968 -2.008 2.356 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.676 -1.139 1.918 1.00 0.00 C ATOM 0 H VAL A 27 6.026 1.254 3.948 1.00 0.00 H new ATOM 0 HA VAL A 27 6.416 -1.631 4.542 1.00 0.00 H new ATOM 0 HB VAL A 27 7.431 0.045 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.111 -2.122 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.925 -1.786 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.566 -2.933 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.851 -1.271 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.222 -2.042 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.005 -0.294 2.074 1.00 0.00 H new ATOM 349 N SER A 28 8.415 -0.949 5.924 1.00 0.00 N ATOM 350 CA SER A 28 9.511 -0.495 6.774 1.00 0.00 C ATOM 351 C SER A 28 10.606 -1.561 6.919 1.00 0.00 C ATOM 352 O SER A 28 10.315 -2.743 7.124 1.00 0.00 O ATOM 353 CB SER A 28 8.964 -0.115 8.153 1.00 0.00 C ATOM 354 OG SER A 28 9.968 0.465 8.967 1.00 0.00 O ATOM 0 H SER A 28 7.950 -1.798 6.245 1.00 0.00 H new ATOM 0 HA SER A 28 9.965 0.375 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.138 0.586 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.563 -1.002 8.644 1.00 0.00 H new ATOM 0 HG SER A 28 9.588 0.698 9.840 1.00 0.00 H new ATOM 360 N GLY A 29 11.860 -1.124 6.813 1.00 0.00 N ATOM 361 CA GLY A 29 13.001 -2.014 6.996 1.00 0.00 C ATOM 362 C GLY A 29 13.654 -2.381 5.681 1.00 0.00 C ATOM 363 O GLY A 29 14.698 -3.032 5.648 1.00 0.00 O ATOM 0 H GLY A 29 12.110 -0.158 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.735 -1.533 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.674 -2.922 7.504 1.00 0.00 H new ATOM 367 N PHE A 30 13.027 -1.964 4.598 1.00 0.00 N ATOM 368 CA PHE A 30 13.491 -2.302 3.260 1.00 0.00 C ATOM 369 C PHE A 30 14.097 -1.099 2.565 1.00 0.00 C ATOM 370 O PHE A 30 13.569 0.009 2.659 1.00 0.00 O ATOM 371 CB PHE A 30 12.326 -2.827 2.440 1.00 0.00 C ATOM 372 CG PHE A 30 11.659 -4.022 3.084 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.043 -5.313 2.746 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.667 -3.854 4.044 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.451 -6.411 3.349 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.073 -4.949 4.651 1.00 0.00 C ATOM 377 CZ PHE A 30 10.466 -6.225 4.298 1.00 0.00 C ATOM 0 H PHE A 30 12.187 -1.385 4.616 1.00 0.00 H new ATOM 0 HA PHE A 30 14.263 -3.067 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.592 -2.032 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.680 -3.103 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.813 -5.463 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.356 -2.857 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.759 -7.410 3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.306 -4.805 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.001 -7.080 4.766 1.00 0.00 H new ATOM 387 N HIS A 31 15.181 -1.322 1.840 1.00 0.00 N ATOM 388 CA HIS A 31 15.880 -0.237 1.170 1.00 0.00 C ATOM 389 C HIS A 31 15.164 0.094 -0.137 1.00 0.00 C ATOM 390 O HIS A 31 15.133 -0.716 -1.061 1.00 0.00 O ATOM 391 CB HIS A 31 17.345 -0.611 0.925 1.00 0.00 C ATOM 392 CG HIS A 31 18.020 -1.174 2.140 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.473 -2.471 2.176 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.277 -0.583 3.331 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.991 -2.640 3.381 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.896 -1.522 4.114 1.00 0.00 N ATOM 0 H HIS A 31 15.596 -2.243 1.700 1.00 0.00 H new ATOM 0 HA HIS A 31 15.872 0.648 1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.397 -1.341 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.889 0.273 0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.040 0.433 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.434 -3.561 3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.222 -1.394 5.072 1.00 0.00 H new ATOM 404 N PRO A 32 14.577 1.303 -0.198 1.00 0.00 N ATOM 405 CA PRO A 32 13.643 1.739 -1.255 1.00 0.00 C ATOM 406 C PRO A 32 14.018 1.358 -2.690 1.00 0.00 C ATOM 407 O PRO A 32 13.134 1.077 -3.504 1.00 0.00 O ATOM 408 CB PRO A 32 13.653 3.261 -1.105 1.00 0.00 C ATOM 409 CG PRO A 32 13.915 3.503 0.342 1.00 0.00 C ATOM 410 CD PRO A 32 14.781 2.363 0.811 1.00 0.00 C ATOM 0 HA PRO A 32 12.679 1.247 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.425 3.714 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.701 3.694 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.416 4.459 0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.982 3.540 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.829 2.659 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.489 2.026 1.805 1.00 0.00 H new ATOM 418 N SER A 33 15.302 1.338 -3.009 1.00 0.00 N ATOM 419 CA SER A 33 15.725 1.197 -4.394 1.00 0.00 C ATOM 420 C SER A 33 15.482 -0.222 -4.941 1.00 0.00 C ATOM 421 O SER A 33 15.223 -0.385 -6.136 1.00 0.00 O ATOM 422 CB SER A 33 17.195 1.615 -4.546 1.00 0.00 C ATOM 423 OG SER A 33 17.602 1.590 -5.904 1.00 0.00 O ATOM 0 H SER A 33 16.064 1.417 -2.335 1.00 0.00 H new ATOM 0 HA SER A 33 15.110 1.865 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.333 2.618 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.827 0.946 -3.963 1.00 0.00 H new ATOM 0 HG SER A 33 17.162 2.318 -6.391 1.00 0.00 H new ATOM 429 N ASP A 34 15.531 -1.249 -4.088 1.00 0.00 N ATOM 430 CA ASP A 34 15.358 -2.629 -4.569 1.00 0.00 C ATOM 431 C ASP A 34 14.081 -3.288 -4.047 1.00 0.00 C ATOM 432 O ASP A 34 14.090 -4.480 -3.731 1.00 0.00 O ATOM 433 CB ASP A 34 16.555 -3.514 -4.187 1.00 0.00 C ATOM 434 CG ASP A 34 17.836 -3.098 -4.875 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.669 -2.419 -4.241 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.017 -3.454 -6.058 1.00 0.00 O ATOM 0 H ASP A 34 15.685 -1.160 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 34 15.286 -2.547 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.699 -3.476 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.331 -4.550 -4.442 1.00 0.00 H new ATOM 441 N ILE A 35 12.980 -2.546 -3.947 1.00 0.00 N ATOM 442 CA ILE A 35 11.727 -3.160 -3.511 1.00 0.00 C ATOM 443 C ILE A 35 10.571 -2.813 -4.443 1.00 0.00 C ATOM 444 O ILE A 35 10.648 -1.869 -5.229 1.00 0.00 O ATOM 445 CB ILE A 35 11.343 -2.776 -2.050 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.333 -1.613 -2.013 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.579 -2.436 -1.225 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.863 -1.272 -0.614 1.00 0.00 C ATOM 0 H ILE A 35 12.927 -1.549 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 35 11.904 -4.235 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 35 10.864 -3.649 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.789 -0.730 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.470 -1.871 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.278 -2.172 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.244 -3.299 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.099 -1.593 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.154 -0.445 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.378 -2.142 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.718 -0.983 -0.003 1.00 0.00 H new ATOM 460 N GLU A 36 9.507 -3.603 -4.346 1.00 0.00 N ATOM 461 CA GLU A 36 8.300 -3.395 -5.135 1.00 0.00 C ATOM 462 C GLU A 36 7.065 -3.439 -4.233 1.00 0.00 C ATOM 463 O GLU A 36 6.805 -4.450 -3.582 1.00 0.00 O ATOM 464 CB GLU A 36 8.179 -4.464 -6.220 1.00 0.00 C ATOM 465 CG GLU A 36 9.270 -4.380 -7.288 1.00 0.00 C ATOM 466 CD GLU A 36 9.147 -5.470 -8.331 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.072 -6.657 -7.956 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.130 -5.145 -9.538 1.00 0.00 O ATOM 0 H GLU A 36 9.458 -4.405 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 36 8.365 -2.415 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.214 -5.449 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.205 -4.373 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.221 -3.407 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.247 -4.448 -6.810 1.00 0.00 H new ATOM 475 N VAL A 37 6.327 -2.338 -4.187 1.00 0.00 N ATOM 476 CA VAL A 37 5.106 -2.251 -3.384 1.00 0.00 C ATOM 477 C VAL A 37 3.983 -1.594 -4.191 1.00 0.00 C ATOM 478 O VAL A 37 4.195 -0.566 -4.837 1.00 0.00 O ATOM 479 CB VAL A 37 5.344 -1.488 -2.041 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.622 -0.667 -2.103 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.160 -0.596 -1.682 1.00 0.00 C ATOM 0 H VAL A 37 6.552 -1.485 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 37 4.807 -3.267 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 37 5.448 -2.239 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.766 -0.145 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.470 -1.327 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.548 0.061 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.363 -0.082 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.006 0.139 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.264 -1.207 -1.575 1.00 0.00 H new ATOM 491 N ASP A 38 2.794 -2.194 -4.151 1.00 0.00 N ATOM 492 CA ASP A 38 1.644 -1.683 -4.901 1.00 0.00 C ATOM 493 C ASP A 38 0.397 -1.677 -4.018 1.00 0.00 C ATOM 494 O ASP A 38 0.369 -2.316 -2.963 1.00 0.00 O ATOM 495 CB ASP A 38 1.356 -2.548 -6.149 1.00 0.00 C ATOM 496 CG ASP A 38 2.381 -2.394 -7.253 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.188 -1.527 -8.134 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.361 -3.167 -7.269 1.00 0.00 O ATOM 0 H ASP A 38 2.600 -3.035 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 38 1.888 -0.669 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.313 -3.595 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.373 -2.287 -6.541 1.00 0.00 H new ATOM 503 N LEU A 39 -0.637 -0.970 -4.466 1.00 0.00 N ATOM 504 CA LEU A 39 -1.919 -0.966 -3.773 1.00 0.00 C ATOM 505 C LEU A 39 -2.924 -1.815 -4.557 1.00 0.00 C ATOM 506 O LEU A 39 -3.107 -1.615 -5.761 1.00 0.00 O ATOM 507 CB LEU A 39 -2.437 0.466 -3.558 1.00 0.00 C ATOM 508 CG LEU A 39 -1.976 1.160 -2.259 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.496 1.504 -2.293 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.780 2.417 -2.012 1.00 0.00 C ATOM 0 H LEU A 39 -0.611 -0.393 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.787 -1.403 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.123 1.076 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.527 0.443 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.143 0.454 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.214 1.991 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.087 0.591 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.298 2.177 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.440 2.892 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.645 3.105 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.836 2.161 -1.920 1.00 0.00 H new ATOM 522 N LEU A 40 -3.545 -2.780 -3.874 1.00 0.00 N ATOM 523 CA LEU A 40 -4.377 -3.788 -4.523 1.00 0.00 C ATOM 524 C LEU A 40 -5.808 -3.809 -3.992 1.00 0.00 C ATOM 525 O LEU A 40 -6.130 -3.208 -2.968 1.00 0.00 O ATOM 526 CB LEU A 40 -3.812 -5.196 -4.296 1.00 0.00 C ATOM 527 CG LEU A 40 -2.370 -5.457 -4.729 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.160 -6.957 -4.882 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.020 -4.748 -6.029 1.00 0.00 C ATOM 0 H LEU A 40 -3.484 -2.882 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.378 -3.518 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.890 -5.422 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.454 -5.904 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.710 -5.057 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.133 -7.151 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.352 -7.450 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.845 -7.345 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.985 -4.965 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.679 -5.098 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.144 -3.673 -5.902 1.00 0.00 H new ATOM 541 N LYS A 41 -6.641 -4.549 -4.716 1.00 0.00 N ATOM 542 CA LYS A 41 -7.982 -4.920 -4.294 1.00 0.00 C ATOM 543 C LYS A 41 -8.089 -6.418 -4.423 1.00 0.00 C ATOM 544 O LYS A 41 -8.160 -6.896 -5.545 1.00 0.00 O ATOM 545 CB LYS A 41 -9.049 -4.327 -5.230 1.00 0.00 C ATOM 546 CG LYS A 41 -8.607 -3.043 -5.918 1.00 0.00 C ATOM 547 CD LYS A 41 -9.575 -2.561 -7.018 1.00 0.00 C ATOM 548 CE LYS A 41 -10.994 -2.262 -6.503 1.00 0.00 C ATOM 549 NZ LYS A 41 -10.985 -1.289 -5.378 1.00 0.00 N ATOM 0 H LYS A 41 -6.394 -4.915 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.145 -4.556 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.307 -5.066 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.955 -4.129 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.503 -2.258 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.621 -3.198 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.168 -1.661 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.633 -3.321 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.600 -1.868 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.464 -3.190 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.963 -1.038 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.516 -1.716 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.470 -0.432 -5.664 1.00 0.00 H new ATOM 563 N ASN A 42 -8.128 -7.152 -3.312 1.00 0.00 N ATOM 564 CA ASN A 42 -8.195 -8.622 -3.359 1.00 0.00 C ATOM 565 C ASN A 42 -7.337 -9.195 -4.494 1.00 0.00 C ATOM 566 O ASN A 42 -7.797 -9.996 -5.310 1.00 0.00 O ATOM 567 CB ASN A 42 -9.667 -9.099 -3.455 1.00 0.00 C ATOM 568 CG ASN A 42 -10.508 -8.305 -4.449 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.706 -8.711 -5.591 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.986 -7.144 -4.013 1.00 0.00 N ATOM 0 H ASN A 42 -8.115 -6.761 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.778 -9.006 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.680 -10.151 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.126 -9.031 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.540 -6.555 -4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.799 -6.842 -3.057 1.00 0.00 H new ATOM 577 N GLY A 43 -6.074 -8.769 -4.522 1.00 0.00 N ATOM 578 CA GLY A 43 -5.146 -9.230 -5.543 1.00 0.00 C ATOM 579 C GLY A 43 -5.349 -8.602 -6.917 1.00 0.00 C ATOM 580 O GLY A 43 -4.974 -9.199 -7.927 1.00 0.00 O ATOM 0 H GLY A 43 -5.676 -8.110 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.129 -9.023 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.237 -10.312 -5.636 1.00 0.00 H new ATOM 584 N GLU A 44 -5.915 -7.406 -6.965 1.00 0.00 N ATOM 585 CA GLU A 44 -6.147 -6.718 -8.232 1.00 0.00 C ATOM 586 C GLU A 44 -5.511 -5.327 -8.179 1.00 0.00 C ATOM 587 O GLU A 44 -5.865 -4.507 -7.332 1.00 0.00 O ATOM 588 CB GLU A 44 -7.654 -6.630 -8.530 1.00 0.00 C ATOM 589 CG GLU A 44 -7.998 -6.002 -9.881 1.00 0.00 C ATOM 590 CD GLU A 44 -7.385 -6.741 -11.050 1.00 0.00 C ATOM 591 OE1 GLU A 44 -7.989 -7.722 -11.527 1.00 0.00 O ATOM 592 OE2 GLU A 44 -6.307 -6.320 -11.514 1.00 0.00 O ATOM 0 H GLU A 44 -6.224 -6.889 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.685 -7.283 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.078 -7.633 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.134 -6.050 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.081 -5.980 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.655 -4.967 -9.892 1.00 0.00 H new ATOM 599 N ARG A 45 -4.540 -5.100 -9.055 1.00 0.00 N ATOM 600 CA ARG A 45 -3.789 -3.841 -9.089 1.00 0.00 C ATOM 601 C ARG A 45 -4.725 -2.655 -9.345 1.00 0.00 C ATOM 602 O ARG A 45 -5.414 -2.602 -10.363 1.00 0.00 O ATOM 603 CB ARG A 45 -2.698 -3.907 -10.184 1.00 0.00 C ATOM 604 CG ARG A 45 -1.303 -3.482 -9.720 1.00 0.00 C ATOM 605 CD ARG A 45 -0.274 -3.477 -10.856 1.00 0.00 C ATOM 606 NE ARG A 45 -0.535 -2.411 -11.820 1.00 0.00 N ATOM 607 CZ ARG A 45 0.165 -1.280 -11.887 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.124 -1.030 -10.995 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.107 -0.384 -12.829 1.00 0.00 N ATOM 0 H ARG A 45 -4.248 -5.777 -9.760 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.313 -3.696 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.645 -4.927 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.999 -3.271 -11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.359 -2.485 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.966 -4.157 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.726 -3.354 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.291 -4.440 -11.366 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.300 -2.541 -12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.324 -1.706 -10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.658 -0.163 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.853 -0.562 -13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.430 0.482 -12.879 1.00 0.00 H new ATOM 623 N ILE A 46 -4.742 -1.713 -8.395 1.00 0.00 N ATOM 624 CA ILE A 46 -5.594 -0.527 -8.471 1.00 0.00 C ATOM 625 C ILE A 46 -5.139 0.408 -9.591 1.00 0.00 C ATOM 626 O ILE A 46 -5.895 0.658 -10.527 1.00 0.00 O ATOM 627 CB ILE A 46 -5.588 0.229 -7.122 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.041 -0.707 -5.994 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.478 1.470 -7.187 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.976 -0.097 -4.615 1.00 0.00 C ATOM 0 H ILE A 46 -4.166 -1.754 -7.554 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.609 -0.859 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.571 0.560 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.065 -1.024 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.421 -1.604 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.457 1.984 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.112 2.140 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.501 1.172 -7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.313 -0.826 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.949 0.194 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.619 0.783 -4.576 1.00 0.00 H new ATOM 642 N GLU A 47 -3.956 1.005 -9.393 1.00 0.00 N ATOM 643 CA GLU A 47 -3.135 1.630 -10.456 1.00 0.00 C ATOM 644 C GLU A 47 -3.000 3.132 -10.261 1.00 0.00 C ATOM 645 O GLU A 47 -2.019 3.718 -10.720 1.00 0.00 O ATOM 646 CB GLU A 47 -3.629 1.384 -11.892 1.00 0.00 C ATOM 647 CG GLU A 47 -3.653 -0.074 -12.316 1.00 0.00 C ATOM 648 CD GLU A 47 -3.608 -0.236 -13.815 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.531 -0.585 -14.345 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.647 -0.007 -14.470 1.00 0.00 O ATOM 0 H GLU A 47 -3.527 1.072 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.171 1.132 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.635 1.793 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.991 1.938 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.804 -0.593 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.555 -0.548 -11.929 1.00 0.00 H new ATOM 657 N LYS A 48 -3.955 3.774 -9.583 1.00 0.00 N ATOM 658 CA LYS A 48 -3.904 5.224 -9.410 1.00 0.00 C ATOM 659 C LYS A 48 -2.970 5.566 -8.256 1.00 0.00 C ATOM 660 O LYS A 48 -3.334 6.321 -7.355 1.00 0.00 O ATOM 661 CB LYS A 48 -5.299 5.810 -9.105 1.00 0.00 C ATOM 662 CG LYS A 48 -6.457 5.277 -9.958 1.00 0.00 C ATOM 663 CD LYS A 48 -6.119 5.235 -11.445 1.00 0.00 C ATOM 664 CE LYS A 48 -5.733 6.603 -11.987 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.448 6.555 -13.443 1.00 0.00 N ATOM 0 H LYS A 48 -4.760 3.320 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.541 5.657 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.529 5.619 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.251 6.892 -9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.721 4.275 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.335 5.905 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.299 4.537 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.977 4.855 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.540 7.311 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.855 6.971 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.188 7.505 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.662 5.898 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.294 6.228 -13.952 1.00 0.00 H new ATOM 679 N VAL A 49 -1.769 5.020 -8.286 1.00 0.00 N ATOM 680 CA VAL A 49 -0.854 5.145 -7.170 1.00 0.00 C ATOM 681 C VAL A 49 0.423 5.812 -7.666 1.00 0.00 C ATOM 682 O VAL A 49 0.986 5.413 -8.694 1.00 0.00 O ATOM 683 CB VAL A 49 -0.571 3.758 -6.503 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.826 3.234 -6.791 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.797 3.828 -5.005 1.00 0.00 C ATOM 0 H VAL A 49 -1.405 4.484 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.303 5.765 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.276 3.055 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.961 2.270 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.956 3.116 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.565 3.940 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.595 2.853 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.128 4.571 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.831 4.110 -4.806 1.00 0.00 H new ATOM 695 N GLU A 50 0.840 6.862 -6.981 1.00 0.00 N ATOM 696 CA GLU A 50 2.025 7.609 -7.393 1.00 0.00 C ATOM 697 C GLU A 50 2.823 8.075 -6.182 1.00 0.00 C ATOM 698 O GLU A 50 2.357 8.911 -5.412 1.00 0.00 O ATOM 699 CB GLU A 50 1.633 8.843 -8.228 1.00 0.00 C ATOM 700 CG GLU A 50 0.763 8.558 -9.453 1.00 0.00 C ATOM 701 CD GLU A 50 -0.558 9.290 -9.394 1.00 0.00 C ATOM 702 OE1 GLU A 50 -1.590 8.644 -9.129 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.576 10.523 -9.605 1.00 0.00 O ATOM 0 H GLU A 50 0.382 7.218 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 50 2.636 6.938 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.103 9.544 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.544 9.341 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.300 8.852 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.580 7.486 -9.526 1.00 0.00 H new ATOM 710 N HIS A 51 4.013 7.514 -6.008 1.00 0.00 N ATOM 711 CA HIS A 51 4.963 8.006 -5.026 1.00 0.00 C ATOM 712 C HIS A 51 6.332 7.429 -5.362 1.00 0.00 C ATOM 713 O HIS A 51 6.437 6.256 -5.717 1.00 0.00 O ATOM 714 CB HIS A 51 4.542 7.575 -3.614 1.00 0.00 C ATOM 715 CG HIS A 51 4.709 8.630 -2.560 1.00 0.00 C ATOM 716 ND1 HIS A 51 3.858 8.703 -1.482 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.640 9.608 -2.445 1.00 0.00 C ATOM 718 CE1 HIS A 51 4.288 9.709 -0.742 1.00 0.00 C ATOM 719 NE2 HIS A 51 5.365 10.287 -1.286 1.00 0.00 N ATOM 0 H HIS A 51 4.343 6.710 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 51 4.995 9.095 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.496 7.268 -3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.124 6.699 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.445 9.813 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.829 10.024 0.183 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.883 11.081 -0.910 1.00 0.00 H new ATOM 727 N SER A 52 7.372 8.236 -5.290 1.00 0.00 N ATOM 728 CA SER A 52 8.720 7.725 -5.546 1.00 0.00 C ATOM 729 C SER A 52 9.792 8.572 -4.865 1.00 0.00 C ATOM 730 O SER A 52 9.961 9.750 -5.177 1.00 0.00 O ATOM 731 CB SER A 52 8.971 7.646 -7.055 1.00 0.00 C ATOM 732 OG SER A 52 8.595 8.849 -7.708 1.00 0.00 O ATOM 0 H SER A 52 7.322 9.229 -5.062 1.00 0.00 H new ATOM 0 HA SER A 52 8.784 6.724 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.026 7.445 -7.239 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.409 6.812 -7.475 1.00 0.00 H new ATOM 0 HG SER A 52 8.890 9.617 -7.175 1.00 0.00 H new ATOM 738 N ASP A 53 10.506 7.969 -3.914 1.00 0.00 N ATOM 739 CA ASP A 53 11.626 8.624 -3.262 1.00 0.00 C ATOM 740 C ASP A 53 12.669 7.570 -2.953 1.00 0.00 C ATOM 741 O ASP A 53 12.303 6.436 -2.639 1.00 0.00 O ATOM 742 CB ASP A 53 11.182 9.323 -1.975 1.00 0.00 C ATOM 743 CG ASP A 53 11.984 10.580 -1.698 1.00 0.00 C ATOM 744 OD1 ASP A 53 11.984 11.052 -0.543 1.00 0.00 O ATOM 745 OD2 ASP A 53 12.608 11.110 -2.640 1.00 0.00 O ATOM 0 H ASP A 53 10.322 7.023 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 53 12.039 9.388 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.125 9.578 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.287 8.635 -1.136 1.00 0.00 H new ATOM 750 N LEU A 54 13.949 7.906 -3.095 1.00 0.00 N ATOM 751 CA LEU A 54 15.052 7.002 -2.746 1.00 0.00 C ATOM 752 C LEU A 54 15.238 5.899 -3.793 1.00 0.00 C ATOM 753 O LEU A 54 16.322 5.329 -3.900 1.00 0.00 O ATOM 754 CB LEU A 54 14.883 6.382 -1.342 1.00 0.00 C ATOM 755 CG LEU A 54 15.098 7.353 -0.144 1.00 0.00 C ATOM 756 CD1 LEU A 54 13.908 8.279 0.071 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.414 6.605 1.157 1.00 0.00 C ATOM 0 H LEU A 54 14.255 8.810 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 54 15.952 7.617 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.880 5.961 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.584 5.553 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 54 15.962 7.962 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.107 8.936 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 54 13.747 8.879 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.017 7.685 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.556 7.323 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.587 5.940 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.324 6.019 1.028 1.00 0.00 H new ATOM 769 N SER A 55 14.184 5.622 -4.563 1.00 0.00 N ATOM 770 CA SER A 55 14.214 4.615 -5.629 1.00 0.00 C ATOM 771 C SER A 55 15.483 4.740 -6.473 1.00 0.00 C ATOM 772 O SER A 55 16.145 3.745 -6.779 1.00 0.00 O ATOM 773 CB SER A 55 12.965 4.764 -6.513 1.00 0.00 C ATOM 774 OG SER A 55 12.900 3.755 -7.507 1.00 0.00 O ATOM 0 H SER A 55 13.283 6.090 -4.466 1.00 0.00 H new ATOM 0 HA SER A 55 14.217 3.626 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.072 4.719 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.972 5.744 -6.990 1.00 0.00 H new ATOM 0 HG SER A 55 13.320 4.080 -8.331 1.00 0.00 H new ATOM 780 N PHE A 56 15.832 5.967 -6.824 1.00 0.00 N ATOM 781 CA PHE A 56 17.053 6.224 -7.566 1.00 0.00 C ATOM 782 C PHE A 56 17.897 7.273 -6.853 1.00 0.00 C ATOM 783 O PHE A 56 18.410 8.201 -7.474 1.00 0.00 O ATOM 784 CB PHE A 56 16.736 6.674 -8.996 1.00 0.00 C ATOM 785 CG PHE A 56 16.122 5.594 -9.841 1.00 0.00 C ATOM 786 CD1 PHE A 56 16.914 4.607 -10.406 1.00 0.00 C ATOM 787 CD2 PHE A 56 14.755 5.565 -10.069 1.00 0.00 C ATOM 788 CE1 PHE A 56 16.354 3.611 -11.183 1.00 0.00 C ATOM 789 CE2 PHE A 56 14.191 4.570 -10.845 1.00 0.00 C ATOM 790 CZ PHE A 56 14.992 3.591 -11.403 1.00 0.00 C ATOM 0 H PHE A 56 15.286 6.800 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 56 17.622 5.296 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.057 7.526 -8.958 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.654 7.019 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.981 4.616 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.124 6.327 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.982 2.848 -11.618 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.125 4.557 -11.015 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.553 2.813 -12.009 1.00 0.00 H new ATOM 800 N SER A 57 18.041 7.123 -5.542 1.00 0.00 N ATOM 801 CA SER A 57 18.829 8.064 -4.762 1.00 0.00 C ATOM 802 C SER A 57 19.533 7.362 -3.601 1.00 0.00 C ATOM 803 O SER A 57 20.746 7.152 -3.641 1.00 0.00 O ATOM 804 CB SER A 57 17.940 9.205 -4.245 1.00 0.00 C ATOM 805 OG SER A 57 18.709 10.219 -3.615 1.00 0.00 O ATOM 0 H SER A 57 17.625 6.364 -5.002 1.00 0.00 H new ATOM 0 HA SER A 57 19.595 8.486 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.379 9.635 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.211 8.808 -3.539 1.00 0.00 H new ATOM 0 HG SER A 57 18.115 10.931 -3.299 1.00 0.00 H new ATOM 811 N LYS A 58 18.770 6.977 -2.582 1.00 0.00 N ATOM 812 CA LYS A 58 19.352 6.412 -1.369 1.00 0.00 C ATOM 813 C LYS A 58 18.682 5.095 -0.995 1.00 0.00 C ATOM 814 O LYS A 58 17.627 4.749 -1.521 1.00 0.00 O ATOM 815 CB LYS A 58 19.246 7.412 -0.213 1.00 0.00 C ATOM 816 CG LYS A 58 20.093 8.658 -0.419 1.00 0.00 C ATOM 817 CD LYS A 58 19.957 9.638 0.734 1.00 0.00 C ATOM 818 CE LYS A 58 20.912 10.808 0.570 1.00 0.00 C ATOM 819 NZ LYS A 58 20.724 11.837 1.624 1.00 0.00 N ATOM 0 H LYS A 58 17.752 7.045 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 58 20.405 6.208 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.204 7.706 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.551 6.922 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.139 8.371 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.798 9.147 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.932 10.005 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.160 9.128 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.939 10.444 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.763 11.262 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.396 12.616 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.752 12.205 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.892 11.412 2.558 1.00 0.00 H new ATOM 833 N ASP A 59 19.294 4.377 -0.069 1.00 0.00 N ATOM 834 CA ASP A 59 18.840 3.045 0.306 1.00 0.00 C ATOM 835 C ASP A 59 18.565 2.980 1.807 1.00 0.00 C ATOM 836 O ASP A 59 19.222 2.253 2.547 1.00 0.00 O ATOM 837 CB ASP A 59 19.889 1.999 -0.100 1.00 0.00 C ATOM 838 CG ASP A 59 21.259 2.258 0.511 1.00 0.00 C ATOM 839 OD1 ASP A 59 21.916 3.251 0.125 1.00 0.00 O ATOM 840 OD2 ASP A 59 21.689 1.473 1.380 1.00 0.00 O ATOM 0 H ASP A 59 20.116 4.697 0.443 1.00 0.00 H new ATOM 0 HA ASP A 59 17.910 2.827 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.544 1.011 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.979 1.986 -1.186 1.00 0.00 H new ATOM 845 N TRP A 60 17.566 3.721 2.253 1.00 0.00 N ATOM 846 CA TRP A 60 17.310 3.854 3.674 1.00 0.00 C ATOM 847 C TRP A 60 15.811 3.807 3.953 1.00 0.00 C ATOM 848 O TRP A 60 15.035 4.542 3.352 1.00 0.00 O ATOM 849 CB TRP A 60 17.914 5.167 4.173 1.00 0.00 C ATOM 850 CG TRP A 60 18.106 5.246 5.659 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.254 6.393 6.389 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.184 4.155 6.599 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.428 6.093 7.711 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.386 4.731 7.873 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.111 2.749 6.501 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.508 3.963 9.027 1.00 0.00 C ATOM 857 CZ3 TRP A 60 18.231 1.995 7.649 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.427 2.599 8.898 1.00 0.00 C ATOM 0 H TRP A 60 16.922 4.237 1.654 1.00 0.00 H new ATOM 0 HA TRP A 60 17.774 3.023 4.205 1.00 0.00 H new ATOM 0 HB2 TRP A 60 18.879 5.315 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.271 5.989 3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.236 7.392 5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 60 18.567 6.773 8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 60 17.964 2.272 5.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.661 4.425 9.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 18.173 0.919 7.584 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.516 1.978 9.777 1.00 0.00 H new ATOM 869 N SER A 61 15.405 2.929 4.854 1.00 0.00 N ATOM 870 CA SER A 61 13.998 2.772 5.175 1.00 0.00 C ATOM 871 C SER A 61 13.687 3.443 6.517 1.00 0.00 C ATOM 872 O SER A 61 14.176 2.992 7.551 1.00 0.00 O ATOM 873 CB SER A 61 13.645 1.292 5.261 1.00 0.00 C ATOM 874 OG SER A 61 12.241 1.095 5.184 1.00 0.00 O ATOM 0 H SER A 61 16.030 2.314 5.376 1.00 0.00 H new ATOM 0 HA SER A 61 13.407 3.242 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.136 0.751 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.022 0.879 6.196 1.00 0.00 H new ATOM 0 HG SER A 61 12.020 0.642 4.343 1.00 0.00 H new ATOM 880 N PHE A 62 12.900 4.521 6.517 1.00 0.00 N ATOM 881 CA PHE A 62 12.540 5.201 7.749 1.00 0.00 C ATOM 882 C PHE A 62 11.106 5.707 7.651 1.00 0.00 C ATOM 883 O PHE A 62 10.626 6.403 8.547 1.00 0.00 O ATOM 884 CB PHE A 62 13.501 6.375 7.985 1.00 0.00 C ATOM 885 CG PHE A 62 13.731 7.210 6.747 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.857 8.230 6.402 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.812 6.954 5.918 1.00 0.00 C ATOM 888 CE1 PHE A 62 13.058 8.976 5.253 1.00 0.00 C ATOM 889 CE2 PHE A 62 15.019 7.699 4.772 1.00 0.00 C ATOM 890 CZ PHE A 62 14.141 8.708 4.438 1.00 0.00 C ATOM 0 H PHE A 62 12.503 4.937 5.674 1.00 0.00 H new ATOM 0 HA PHE A 62 12.614 4.507 8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.102 7.010 8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.457 5.989 8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.010 8.445 7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.502 6.162 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.369 9.766 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.868 7.491 4.138 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.299 9.288 3.541 1.00 0.00 H new ATOM 900 N TYR A 63 10.425 5.274 6.578 1.00 0.00 N ATOM 901 CA TYR A 63 9.121 5.819 6.165 1.00 0.00 C ATOM 902 C TYR A 63 8.921 5.657 4.653 1.00 0.00 C ATOM 903 O TYR A 63 9.180 6.579 3.882 1.00 0.00 O ATOM 904 CB TYR A 63 8.996 7.307 6.542 1.00 0.00 C ATOM 905 CG TYR A 63 7.638 7.934 6.242 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.468 7.414 6.796 1.00 0.00 C ATOM 907 CD2 TYR A 63 7.528 9.057 5.422 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.235 7.995 6.541 1.00 0.00 C ATOM 909 CE2 TYR A 63 6.296 9.638 5.161 1.00 0.00 C ATOM 910 CZ TYR A 63 5.158 9.104 5.725 1.00 0.00 C ATOM 911 OH TYR A 63 3.939 9.689 5.479 1.00 0.00 O ATOM 0 H TYR A 63 10.766 4.531 5.968 1.00 0.00 H new ATOM 0 HA TYR A 63 8.350 5.258 6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.203 7.416 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.764 7.867 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.523 6.544 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 63 8.418 9.482 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.339 7.581 6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.229 10.504 4.519 1.00 0.00 H new ATOM 0 HH TYR A 63 4.060 10.460 4.886 1.00 0.00 H new ATOM 921 N LEU A 64 8.487 4.473 4.226 1.00 0.00 N ATOM 922 CA LEU A 64 8.065 4.269 2.838 1.00 0.00 C ATOM 923 C LEU A 64 6.548 4.172 2.783 1.00 0.00 C ATOM 924 O LEU A 64 5.952 3.337 3.469 1.00 0.00 O ATOM 925 CB LEU A 64 8.665 2.970 2.281 1.00 0.00 C ATOM 926 CG LEU A 64 10.018 3.068 1.560 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.589 1.674 1.362 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.854 3.776 0.216 1.00 0.00 C ATOM 0 H LEU A 64 8.418 3.644 4.816 1.00 0.00 H new ATOM 0 HA LEU A 64 8.413 5.111 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.774 2.268 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.944 2.537 1.587 1.00 0.00 H new ATOM 0 HG LEU A 64 10.708 3.652 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.549 1.743 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.728 1.197 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.900 1.080 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.821 3.838 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.159 3.215 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.465 4.781 0.379 1.00 0.00 H new ATOM 940 N LEU A 65 5.928 5.025 1.975 1.00 0.00 N ATOM 941 CA LEU A 65 4.481 5.062 1.858 1.00 0.00 C ATOM 942 C LEU A 65 4.064 5.464 0.440 1.00 0.00 C ATOM 943 O LEU A 65 4.778 6.202 -0.232 1.00 0.00 O ATOM 944 CB LEU A 65 3.944 6.072 2.877 1.00 0.00 C ATOM 945 CG LEU A 65 2.468 6.449 2.745 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.583 5.245 3.004 1.00 0.00 C ATOM 947 CD2 LEU A 65 2.129 7.581 3.702 1.00 0.00 C ATOM 0 H LEU A 65 6.413 5.704 1.388 1.00 0.00 H new ATOM 0 HA LEU A 65 4.069 4.073 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.106 5.668 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.538 6.983 2.801 1.00 0.00 H new ATOM 0 HG LEU A 65 2.285 6.789 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.537 5.534 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.813 4.462 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.762 4.872 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.075 7.841 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.326 7.263 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.742 8.451 3.468 1.00 0.00 H new ATOM 959 N TYR A 66 2.924 4.943 -0.008 1.00 0.00 N ATOM 960 CA TYR A 66 2.358 5.278 -1.318 1.00 0.00 C ATOM 961 C TYR A 66 0.879 5.648 -1.158 1.00 0.00 C ATOM 962 O TYR A 66 0.269 5.289 -0.151 1.00 0.00 O ATOM 963 CB TYR A 66 2.503 4.080 -2.279 1.00 0.00 C ATOM 964 CG TYR A 66 3.944 3.781 -2.671 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.849 3.235 -1.763 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.398 4.050 -3.956 1.00 0.00 C ATOM 967 CE1 TYR A 66 6.160 2.973 -2.129 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.704 3.787 -4.327 1.00 0.00 C ATOM 969 CZ TYR A 66 6.579 3.250 -3.410 1.00 0.00 C ATOM 970 OH TYR A 66 7.881 2.992 -3.775 1.00 0.00 O ATOM 0 H TYR A 66 2.365 4.277 0.525 1.00 0.00 H new ATOM 0 HA TYR A 66 2.897 6.128 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.072 3.195 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.924 4.277 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.524 3.012 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.717 4.473 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.850 2.553 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.036 4.002 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 66 8.014 3.243 -4.713 1.00 0.00 H new ATOM 980 N TYR A 67 0.290 6.349 -2.138 1.00 0.00 N ATOM 981 CA TYR A 67 -1.105 6.783 -2.004 1.00 0.00 C ATOM 982 C TYR A 67 -1.919 6.584 -3.288 1.00 0.00 C ATOM 983 O TYR A 67 -1.427 6.811 -4.393 1.00 0.00 O ATOM 984 CB TYR A 67 -1.202 8.247 -1.527 1.00 0.00 C ATOM 985 CG TYR A 67 -0.423 9.281 -2.339 1.00 0.00 C ATOM 986 CD1 TYR A 67 -0.920 9.798 -3.535 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.795 9.774 -1.879 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.227 10.763 -4.242 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.494 10.737 -2.588 1.00 0.00 C ATOM 990 CZ TYR A 67 0.977 11.226 -3.765 1.00 0.00 C ATOM 991 OH TYR A 67 1.665 12.191 -4.467 1.00 0.00 O ATOM 0 H TYR A 67 0.745 6.621 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.544 6.139 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.253 8.536 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.856 8.293 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.864 9.438 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.203 9.399 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.630 11.152 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.441 11.102 -2.218 1.00 0.00 H new ATOM 0 HH TYR A 67 2.496 12.409 -3.995 1.00 0.00 H new ATOM 1001 N THR A 68 -3.172 6.147 -3.116 1.00 0.00 N ATOM 1002 CA THR A 68 -4.111 5.965 -4.223 1.00 0.00 C ATOM 1003 C THR A 68 -5.517 6.380 -3.769 1.00 0.00 C ATOM 1004 O THR A 68 -5.839 6.297 -2.578 1.00 0.00 O ATOM 1005 CB THR A 68 -4.143 4.491 -4.722 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.568 4.441 -6.084 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.094 3.636 -3.907 1.00 0.00 C ATOM 0 H THR A 68 -3.561 5.910 -2.204 1.00 0.00 H new ATOM 0 HA THR A 68 -3.777 6.590 -5.051 1.00 0.00 H new ATOM 0 HB THR A 68 -3.131 4.101 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.415 5.312 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.085 2.615 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.779 3.635 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.103 4.042 -3.981 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.332 6.859 -4.708 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.728 7.212 -4.426 1.00 0.00 C ATOM 1017 C GLU A 69 -8.553 5.953 -4.173 1.00 0.00 C ATOM 1018 O GLU A 69 -8.421 4.974 -4.909 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.355 7.965 -5.620 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.777 8.450 -5.347 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.463 8.990 -6.584 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.089 10.088 -7.047 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -11.392 8.326 -7.092 1.00 0.00 O ATOM 0 H GLU A 69 -6.050 7.013 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.733 7.851 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.728 8.821 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.363 7.309 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.365 7.626 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.750 9.228 -4.584 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.408 5.962 -3.150 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.295 4.829 -2.926 1.00 0.00 C ATOM 1032 C PHE A 70 -11.724 5.267 -2.638 1.00 0.00 C ATOM 1033 O PHE A 70 -11.966 6.411 -2.269 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.766 3.943 -1.787 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.940 4.459 -0.370 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.838 4.604 0.453 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.188 4.765 0.148 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -8.981 5.043 1.762 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.333 5.209 1.447 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.233 5.343 2.254 1.00 0.00 C ATOM 0 H PHE A 70 -9.502 6.724 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.312 4.248 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.259 2.973 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.703 3.773 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.854 4.373 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.063 4.654 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.112 5.149 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.314 5.451 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.347 5.683 3.273 1.00 0.00 H new ATOM 1050 N THR A 71 -12.658 4.356 -2.861 1.00 0.00 N ATOM 1051 CA THR A 71 -14.024 4.501 -2.381 1.00 0.00 C ATOM 1052 C THR A 71 -14.548 3.140 -1.890 1.00 0.00 C ATOM 1053 O THR A 71 -14.700 2.219 -2.693 1.00 0.00 O ATOM 1054 CB THR A 71 -14.921 5.064 -3.511 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.387 6.322 -3.952 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.357 5.263 -3.048 1.00 0.00 C ATOM 0 H THR A 71 -12.491 3.494 -3.380 1.00 0.00 H new ATOM 0 HA THR A 71 -14.045 5.201 -1.546 1.00 0.00 H new ATOM 0 HB THR A 71 -14.929 4.342 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.950 6.683 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.953 5.659 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.772 4.307 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.377 5.965 -2.215 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.787 2.963 -0.563 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.230 1.674 -0.036 1.00 0.00 C ATOM 1066 C PRO A 72 -16.658 1.353 -0.414 1.00 0.00 C ATOM 1067 O PRO A 72 -17.550 2.200 -0.363 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.085 1.784 1.489 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.676 3.197 1.794 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.657 3.982 0.503 1.00 0.00 C ATOM 0 HA PRO A 72 -14.632 0.864 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.025 1.540 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.339 1.079 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.372 3.648 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.691 3.213 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.476 4.700 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.731 4.548 0.398 1.00 0.00 H new ATOM 1078 N THR A 73 -16.833 0.113 -0.808 1.00 0.00 N ATOM 1079 CA THR A 73 -18.116 -0.422 -1.207 1.00 0.00 C ATOM 1080 C THR A 73 -18.329 -1.722 -0.447 1.00 0.00 C ATOM 1081 O THR A 73 -17.394 -2.237 0.146 1.00 0.00 O ATOM 1082 CB THR A 73 -18.138 -0.705 -2.727 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.236 -1.778 -3.023 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.735 0.533 -3.514 1.00 0.00 C ATOM 0 H THR A 73 -16.074 -0.566 -0.862 1.00 0.00 H new ATOM 0 HA THR A 73 -18.905 0.297 -0.984 1.00 0.00 H new ATOM 0 HB THR A 73 -19.152 -0.982 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.875 -1.662 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.758 0.310 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.431 1.344 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.727 0.834 -3.228 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.532 -2.251 -0.447 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.782 -3.560 0.137 1.00 0.00 C ATOM 1094 C GLU A 74 -18.981 -4.684 -0.582 1.00 0.00 C ATOM 1095 O GLU A 74 -18.973 -5.837 -0.148 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.300 -3.818 0.112 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.683 -5.248 0.415 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.601 -5.572 1.892 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -22.657 -5.854 2.490 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.495 -5.517 2.465 1.00 0.00 O ATOM 0 H GLU A 74 -20.356 -1.799 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.431 -3.572 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.782 -3.162 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.688 -3.548 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.698 -5.431 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.027 -5.921 -0.138 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.281 -4.343 -1.662 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.603 -5.351 -2.479 1.00 0.00 C ATOM 1109 C LYS A 75 -16.056 -5.299 -2.436 1.00 0.00 C ATOM 1110 O LYS A 75 -15.415 -6.348 -2.484 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.066 -5.221 -3.938 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.566 -5.431 -4.179 1.00 0.00 C ATOM 1113 CD LYS A 75 -19.912 -6.899 -4.396 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.333 -7.591 -3.110 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.592 -7.022 -2.565 1.00 0.00 N ATOM 0 H LYS A 75 -18.168 -3.384 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.882 -6.311 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.794 -4.230 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.515 -5.943 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.127 -5.049 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.877 -4.853 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.717 -6.976 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.049 -7.415 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.467 -8.656 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.540 -7.495 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.964 -7.650 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.402 -6.083 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.292 -6.934 -3.329 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.441 -4.117 -2.363 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.007 -4.019 -2.631 1.00 0.00 C ATOM 1131 C ASP A 76 -13.132 -4.023 -1.357 1.00 0.00 C ATOM 1132 O ASP A 76 -13.288 -3.188 -0.472 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.699 -2.759 -3.442 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.486 -2.662 -4.731 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.152 -3.399 -5.683 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.408 -1.825 -4.811 1.00 0.00 O ATOM 0 H ASP A 76 -15.899 -3.237 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.754 -4.915 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.910 -1.882 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.634 -2.737 -3.673 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.173 -4.939 -1.331 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.167 -5.074 -0.262 1.00 0.00 C ATOM 1143 C GLU A 77 -9.910 -4.315 -0.697 1.00 0.00 C ATOM 1144 O GLU A 77 -9.660 -4.186 -1.895 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.823 -6.557 -0.092 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.720 -6.854 0.919 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.277 -8.294 0.837 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.367 -8.591 0.037 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.849 -9.136 1.555 1.00 0.00 O ATOM 0 H GLU A 77 -12.062 -5.633 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.547 -4.675 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.724 -7.091 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.524 -6.958 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.869 -6.198 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.078 -6.638 1.926 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.130 -3.808 0.245 1.00 0.00 N ATOM 1157 CA TYR A 78 -7.891 -3.105 -0.100 1.00 0.00 C ATOM 1158 C TYR A 78 -6.673 -3.744 0.577 1.00 0.00 C ATOM 1159 O TYR A 78 -6.698 -4.030 1.776 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.006 -1.618 0.270 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.043 -0.870 -0.547 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.671 -0.076 -1.629 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.395 -0.965 -0.241 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.619 0.595 -2.378 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.345 -0.291 -0.990 1.00 0.00 C ATOM 1166 CZ TYR A 78 -10.950 0.484 -2.054 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.894 1.145 -2.806 1.00 0.00 O ATOM 0 H TYR A 78 -9.324 -3.866 1.245 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.744 -3.189 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.257 -1.533 1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.035 -1.142 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.626 0.017 -1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.710 -1.574 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.315 1.205 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.392 -0.374 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.731 1.205 -2.300 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.615 -3.977 -0.210 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.405 -4.647 0.270 1.00 0.00 C ATOM 1179 C ALA A 79 -3.136 -3.944 -0.235 1.00 0.00 C ATOM 1180 O ALA A 79 -3.196 -3.196 -1.210 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.413 -6.086 -0.212 1.00 0.00 C ATOM 0 H ALA A 79 -5.576 -3.707 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.399 -4.610 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.515 -6.593 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.294 -6.595 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.436 -6.105 -1.302 1.00 0.00 H new ATOM 1187 N CYS A 80 -1.986 -4.175 0.417 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.723 -3.667 -0.120 1.00 0.00 C ATOM 1189 C CYS A 80 0.299 -4.804 -0.274 1.00 0.00 C ATOM 1190 O CYS A 80 0.547 -5.562 0.661 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.167 -2.465 0.709 1.00 0.00 C ATOM 1192 SG CYS A 80 0.657 -2.747 2.267 1.00 0.00 S ATOM 0 H CYS A 80 -1.908 -4.695 1.291 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.920 -3.270 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.531 -1.927 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.003 -1.794 0.904 1.00 0.00 H new ATOM 1197 N ARG A 81 0.831 -4.951 -1.494 1.00 0.00 N ATOM 1198 CA ARG A 81 1.746 -6.049 -1.845 1.00 0.00 C ATOM 1199 C ARG A 81 3.194 -5.559 -1.835 1.00 0.00 C ATOM 1200 O ARG A 81 3.485 -4.516 -2.411 1.00 0.00 O ATOM 1201 CB ARG A 81 1.405 -6.554 -3.256 1.00 0.00 C ATOM 1202 CG ARG A 81 1.882 -7.975 -3.582 1.00 0.00 C ATOM 1203 CD ARG A 81 1.199 -8.514 -4.848 1.00 0.00 C ATOM 1204 NE ARG A 81 1.482 -7.676 -6.014 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.958 -7.868 -7.222 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.132 -8.882 -7.444 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.272 -7.043 -8.213 1.00 0.00 N ATOM 0 H ARG A 81 0.640 -4.313 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 81 1.634 -6.850 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.324 -6.514 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.839 -5.868 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.963 -7.976 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.668 -8.635 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.539 -9.532 -5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.122 -8.563 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 81 2.124 -6.893 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.106 -9.522 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.265 -9.022 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.912 -6.266 -8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.873 -7.186 -9.141 1.00 0.00 H new ATOM 1221 N VAL A 82 4.097 -6.293 -1.187 1.00 0.00 N ATOM 1222 CA VAL A 82 5.507 -5.902 -1.198 1.00 0.00 C ATOM 1223 C VAL A 82 6.444 -7.084 -1.453 1.00 0.00 C ATOM 1224 O VAL A 82 6.254 -8.182 -0.924 1.00 0.00 O ATOM 1225 CB VAL A 82 5.926 -5.181 0.107 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.250 -6.177 1.210 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.103 -4.263 -0.160 1.00 0.00 C ATOM 0 H VAL A 82 3.887 -7.141 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 82 5.605 -5.204 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 82 5.085 -4.578 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.540 -5.639 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.371 -6.787 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.071 -6.819 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.390 -3.761 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.944 -4.848 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.822 -3.519 -0.905 1.00 0.00 H new ATOM 1237 N ASN A 83 7.439 -6.840 -2.299 1.00 0.00 N ATOM 1238 CA ASN A 83 8.473 -7.829 -2.593 1.00 0.00 C ATOM 1239 C ASN A 83 9.864 -7.218 -2.506 1.00 0.00 C ATOM 1240 O ASN A 83 10.073 -6.057 -2.867 1.00 0.00 O ATOM 1241 CB ASN A 83 8.261 -8.436 -3.984 1.00 0.00 C ATOM 1242 CG ASN A 83 9.104 -9.680 -4.203 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.394 -10.418 -3.261 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.502 -9.922 -5.444 1.00 0.00 N ATOM 0 H ASN A 83 7.553 -5.958 -2.798 1.00 0.00 H new ATOM 0 HA ASN A 83 8.395 -8.617 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.208 -8.686 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.508 -7.694 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.070 -10.745 -5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.240 -9.285 -6.197 1.00 0.00 H new ATOM 1251 N HIS A 84 10.800 -8.012 -2.004 1.00 0.00 N ATOM 1252 CA HIS A 84 12.202 -7.626 -1.925 1.00 0.00 C ATOM 1253 C HIS A 84 13.062 -8.786 -2.419 1.00 0.00 C ATOM 1254 O HIS A 84 12.590 -9.918 -2.471 1.00 0.00 O ATOM 1255 CB HIS A 84 12.578 -7.254 -0.479 1.00 0.00 C ATOM 1256 CG HIS A 84 13.952 -6.657 -0.327 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.060 -7.447 -0.142 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.338 -5.357 -0.338 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.087 -6.619 -0.046 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.699 -5.343 -0.160 1.00 0.00 N ATOM 0 H HIS A 84 10.608 -8.945 -1.639 1.00 0.00 H new ATOM 0 HA HIS A 84 12.375 -6.751 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.843 -6.546 -0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.513 -8.148 0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.697 -4.497 -0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.109 -6.933 0.105 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.299 -4.519 -0.122 1.00 0.00 H new ATOM 1268 N VAL A 85 14.310 -8.500 -2.778 1.00 0.00 N ATOM 1269 CA VAL A 85 15.238 -9.529 -3.270 1.00 0.00 C ATOM 1270 C VAL A 85 15.368 -10.696 -2.284 1.00 0.00 C ATOM 1271 O VAL A 85 15.676 -11.826 -2.679 1.00 0.00 O ATOM 1272 CB VAL A 85 16.647 -8.947 -3.551 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.567 -9.997 -4.168 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.558 -7.725 -4.451 1.00 0.00 C ATOM 0 H VAL A 85 14.709 -7.562 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 85 14.813 -9.897 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 85 17.075 -8.643 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.547 -9.558 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.670 -10.838 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.142 -10.345 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.559 -7.334 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.098 -8.004 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.953 -6.959 -3.966 1.00 0.00 H new ATOM 1284 N THR A 86 15.118 -10.436 -1.008 1.00 0.00 N ATOM 1285 CA THR A 86 15.246 -11.483 0.001 1.00 0.00 C ATOM 1286 C THR A 86 14.077 -12.470 -0.094 1.00 0.00 C ATOM 1287 O THR A 86 14.293 -13.681 -0.165 1.00 0.00 O ATOM 1288 CB THR A 86 15.377 -10.914 1.441 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.381 -11.979 2.400 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.256 -9.938 1.769 1.00 0.00 C ATOM 0 H THR A 86 14.830 -9.526 -0.649 1.00 0.00 H new ATOM 0 HA THR A 86 16.174 -12.015 -0.209 1.00 0.00 H new ATOM 0 HB THR A 86 16.322 -10.373 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.466 -11.606 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.385 -9.564 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.284 -9.103 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.295 -10.447 1.689 1.00 0.00 H new ATOM 1298 N LEU A 87 12.844 -11.962 -0.101 1.00 0.00 N ATOM 1299 CA LEU A 87 11.677 -12.823 -0.287 1.00 0.00 C ATOM 1300 C LEU A 87 11.671 -13.405 -1.697 1.00 0.00 C ATOM 1301 O LEU A 87 12.167 -12.789 -2.636 1.00 0.00 O ATOM 1302 CB LEU A 87 10.370 -12.054 -0.082 1.00 0.00 C ATOM 1303 CG LEU A 87 10.304 -11.150 1.147 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.022 -10.344 1.121 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.399 -11.963 2.429 1.00 0.00 C ATOM 0 H LEU A 87 12.629 -10.972 0.018 1.00 0.00 H new ATOM 0 HA LEU A 87 11.744 -13.618 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.190 -11.443 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.555 -12.775 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 87 11.154 -10.468 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.979 -9.700 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.996 -9.731 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.167 -11.020 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.349 -11.294 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.572 -12.672 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.344 -12.506 2.446 1.00 0.00 H new ATOM 1317 N SER A 88 11.121 -14.596 -1.836 1.00 0.00 N ATOM 1318 CA SER A 88 10.908 -15.185 -3.150 1.00 0.00 C ATOM 1319 C SER A 88 9.429 -15.063 -3.516 1.00 0.00 C ATOM 1320 O SER A 88 9.003 -15.420 -4.618 1.00 0.00 O ATOM 1321 CB SER A 88 11.350 -16.651 -3.145 1.00 0.00 C ATOM 1322 OG SER A 88 11.389 -17.178 -4.459 1.00 0.00 O ATOM 0 H SER A 88 10.812 -15.177 -1.057 1.00 0.00 H new ATOM 0 HA SER A 88 11.503 -14.657 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.336 -16.735 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.664 -17.238 -2.535 1.00 0.00 H new ATOM 0 HG SER A 88 10.655 -16.799 -4.986 1.00 0.00 H new ATOM 1328 N GLN A 89 8.658 -14.549 -2.565 1.00 0.00 N ATOM 1329 CA GLN A 89 7.224 -14.365 -2.732 1.00 0.00 C ATOM 1330 C GLN A 89 6.763 -13.112 -1.970 1.00 0.00 C ATOM 1331 O GLN A 89 7.001 -13.004 -0.768 1.00 0.00 O ATOM 1332 CB GLN A 89 6.454 -15.609 -2.235 1.00 0.00 C ATOM 1333 CG GLN A 89 6.683 -15.962 -0.766 1.00 0.00 C ATOM 1334 CD GLN A 89 7.989 -16.695 -0.508 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.607 -16.527 0.543 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.407 -17.531 -1.448 1.00 0.00 N ATOM 0 H GLN A 89 9.011 -14.248 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 89 7.011 -14.232 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.388 -15.445 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.739 -16.464 -2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.668 -15.046 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.855 -16.580 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.868 -17.644 -2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.268 -18.061 -1.313 1.00 0.00 H new ATOM 1345 N PRO A 90 6.144 -12.123 -2.647 1.00 0.00 N ATOM 1346 CA PRO A 90 5.595 -10.941 -1.961 1.00 0.00 C ATOM 1347 C PRO A 90 4.402 -11.280 -1.077 1.00 0.00 C ATOM 1348 O PRO A 90 3.771 -12.326 -1.239 1.00 0.00 O ATOM 1349 CB PRO A 90 5.154 -10.008 -3.088 1.00 0.00 C ATOM 1350 CG PRO A 90 5.010 -10.877 -4.295 1.00 0.00 C ATOM 1351 CD PRO A 90 5.967 -12.049 -4.114 1.00 0.00 C ATOM 0 HA PRO A 90 6.339 -10.500 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.212 -9.516 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.890 -9.222 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.983 -11.229 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.248 -10.321 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.551 -12.973 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.914 -11.877 -4.625 1.00 0.00 H new ATOM 1359 N LYS A 91 4.097 -10.391 -0.144 1.00 0.00 N ATOM 1360 CA LYS A 91 2.971 -10.594 0.760 1.00 0.00 C ATOM 1361 C LYS A 91 1.851 -9.600 0.465 1.00 0.00 C ATOM 1362 O LYS A 91 2.093 -8.503 -0.040 1.00 0.00 O ATOM 1363 CB LYS A 91 3.388 -10.421 2.237 1.00 0.00 C ATOM 1364 CG LYS A 91 4.566 -11.286 2.726 1.00 0.00 C ATOM 1365 CD LYS A 91 5.082 -10.825 4.094 1.00 0.00 C ATOM 1366 CE LYS A 91 5.893 -11.907 4.795 1.00 0.00 C ATOM 1367 NZ LYS A 91 7.198 -12.160 4.135 1.00 0.00 N ATOM 0 H LYS A 91 4.611 -9.523 0.008 1.00 0.00 H new ATOM 0 HA LYS A 91 2.622 -11.614 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.644 -9.374 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.523 -10.638 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.251 -12.327 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.376 -11.242 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.699 -9.935 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.238 -10.541 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.065 -11.614 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.316 -12.831 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.710 -12.904 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.037 -12.467 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.763 -11.287 4.136 1.00 0.00 H new ATOM 1381 N ILE A 92 0.634 -10.015 0.781 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.514 -9.122 0.754 1.00 0.00 C ATOM 1383 C ILE A 92 -1.009 -8.844 2.170 1.00 0.00 C ATOM 1384 O ILE A 92 -1.182 -9.758 2.980 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.686 -9.630 -0.145 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.655 -8.936 -1.510 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.041 -9.402 0.507 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.315 -7.472 -1.427 1.00 0.00 C ATOM 0 H ILE A 92 0.415 -10.971 1.061 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.164 -8.195 0.299 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.547 -10.703 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.925 -9.436 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.627 -9.049 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.828 -9.770 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.083 -9.937 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.185 -8.336 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.310 -7.042 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.058 -6.960 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.330 -7.352 -0.976 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.211 -7.572 2.457 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.768 -7.133 3.722 1.00 0.00 C ATOM 1402 C VAL A 93 -3.089 -6.445 3.442 1.00 0.00 C ATOM 1403 O VAL A 93 -3.154 -5.531 2.629 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.817 -6.154 4.433 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.566 -4.953 3.589 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.335 -5.729 5.796 1.00 0.00 C ATOM 0 H VAL A 93 -0.992 -6.810 1.815 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.911 -7.995 4.373 1.00 0.00 H new ATOM 0 HB VAL A 93 0.120 -6.688 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.109 -4.275 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.114 -5.259 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.509 -4.444 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.627 -5.039 6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.300 -5.236 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.450 -6.607 6.432 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.147 -6.891 4.070 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.447 -6.344 3.761 1.00 0.00 C ATOM 1418 C LYS A 94 -5.990 -5.546 4.933 1.00 0.00 C ATOM 1419 O LYS A 94 -5.810 -5.917 6.094 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.400 -7.458 3.374 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.824 -8.387 2.328 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.460 -9.755 2.410 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.959 -10.496 3.636 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.544 -10.928 3.484 1.00 0.00 N ATOM 0 H LYS A 94 -4.138 -7.618 4.786 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.348 -5.664 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.658 -8.034 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.326 -7.023 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.984 -7.966 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.746 -8.474 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.545 -9.657 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.227 -10.326 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.050 -9.853 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.588 -11.368 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.327 -11.661 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.399 -11.313 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.915 -10.112 3.627 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.657 -4.458 4.610 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.144 -3.525 5.620 1.00 0.00 C ATOM 1440 C TRP A 95 -8.386 -4.090 6.311 1.00 0.00 C ATOM 1441 O TRP A 95 -9.346 -4.504 5.654 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.416 -2.150 4.977 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.978 -1.110 5.913 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.492 -0.743 7.144 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.131 -0.280 5.679 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.276 0.238 7.688 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.289 0.539 6.816 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.047 -0.144 4.620 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.321 1.463 6.934 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.071 0.772 4.736 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.207 1.565 5.883 1.00 0.00 C ATOM 0 H TRP A 95 -6.879 -4.191 3.651 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.381 -3.388 6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.485 -1.772 4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.110 -2.284 4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.617 -1.167 7.615 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.130 0.675 8.598 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.950 -0.748 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.425 2.078 7.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.780 0.880 3.929 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.022 2.270 5.945 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.346 -4.112 7.643 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.408 -4.707 8.457 1.00 0.00 C ATOM 1464 C ASP A 96 -10.710 -3.916 8.327 1.00 0.00 C ATOM 1465 O ASP A 96 -10.892 -2.884 8.969 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.973 -4.797 9.937 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.635 -3.450 10.558 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -7.614 -2.849 10.166 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -9.375 -2.998 11.462 1.00 0.00 O ATOM 0 H ASP A 96 -7.579 -3.719 8.188 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.589 -5.716 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.772 -5.263 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.104 -5.450 10.012 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.618 -4.405 7.482 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.917 -3.764 7.315 1.00 0.00 C ATOM 1476 C ARG A 97 -13.803 -4.611 6.395 1.00 0.00 C ATOM 1477 O ARG A 97 -15.012 -4.403 6.308 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.719 -2.332 6.759 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.705 -2.237 5.225 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.108 -2.156 4.633 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.107 -2.340 3.192 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.217 -2.432 2.475 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.398 -2.189 3.028 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.152 -2.741 1.199 1.00 0.00 N ATOM 0 H ARG A 97 -11.477 -5.236 6.908 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.420 -3.687 8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.516 -1.694 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.780 -1.934 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.136 -1.358 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.191 -3.106 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.739 -2.915 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.547 -1.188 4.874 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.210 -2.401 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.456 -1.929 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.248 -2.262 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.247 -2.910 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.007 -2.812 0.647 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.188 -5.593 5.753 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.849 -6.396 4.715 1.00 0.00 C ATOM 1500 C ASP A 98 -13.062 -7.685 4.429 1.00 0.00 C ATOM 1501 O ASP A 98 -13.492 -8.523 3.641 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.972 -5.582 3.427 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.851 -6.249 2.384 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.092 -6.220 2.537 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.310 -6.793 1.399 1.00 0.00 O ATOM 0 H ASP A 98 -12.220 -5.861 5.930 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.841 -6.666 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.380 -4.599 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.978 -5.423 3.008 1.00 0.00 H new ATOM 1510 N MET A 99 -11.914 -7.843 5.088 1.00 0.00 N ATOM 1511 CA MET A 99 -11.051 -9.010 4.875 1.00 0.00 C ATOM 1512 C MET A 99 -11.754 -10.297 5.305 1.00 0.00 C ATOM 1513 CB MET A 99 -9.694 -8.878 5.603 1.00 0.00 C ATOM 1514 CG MET A 99 -9.648 -7.836 6.742 1.00 0.00 C ATOM 1515 SD MET A 99 -11.006 -7.955 7.921 1.00 0.00 S ATOM 1516 CE MET A 99 -10.608 -9.494 8.747 1.00 0.00 C ATOM 0 H MET A 99 -11.558 -7.178 5.775 1.00 0.00 H new ATOM 0 HA MET A 99 -10.848 -9.056 3.805 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.426 -9.851 6.014 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.931 -8.621 4.868 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.706 -7.946 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.650 -6.838 6.304 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.360 -9.704 9.507 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.592 -10.305 8.018 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.629 -9.411 9.219 1.00 0.00 H new TER 1525 MET A 99