USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl 142:sc= -0.0378 (180deg=-0.692) USER MOD Set 1.2: A 80 MET CE :methyl -126:sc= -1.39 (180deg=-5.46!) USER MOD Set 1.3: A 84 CYS SG : rot -51:sc= 0.897 USER MOD Set 2.1: A 35 CYS SG : rot 29:sc= -1.85 USER MOD Set 2.2: A 69 SER OG : rot 104:sc= 0.752 USER MOD Set 2.3: A 71 THR OG1 : rot 148:sc= 0.968 USER MOD Set 3.1: A 16 GLN : amide:sc= -1.45 X(o=-4.4,f=-4.8) USER MOD Set 3.2: A 81 MET CE :methyl 132:sc= -2.97 (180deg=-5.39!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.5!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 0.0611 (180deg=0.0252) USER MOD Single : A 11 GLN : amide:sc= 0.121 X(o=0.12,f=-0.0026) USER MOD Single : A 13 THR OG1 : rot 180:sc=4.49e-05 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -78:sc= 0.427 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -162:sc= -0.122 (180deg=-0.557) USER MOD Single : A 50 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.8) USER MOD Single : A 51 ASN : amide:sc= -0.0291 X(o=-0.029,f=-0.28) USER MOD Single : A 53 THR OG1 : rot -150:sc= -0.0939 USER MOD Single : A 58 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.2) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 38:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.067 8.380 11.334 1.00 0.00 N ATOM 2 CA MET A 1 -4.973 7.979 10.219 1.00 0.00 C ATOM 3 C MET A 1 -4.407 8.491 8.893 1.00 0.00 C ATOM 4 O MET A 1 -4.264 9.698 8.688 1.00 0.00 O ATOM 5 CB MET A 1 -6.366 8.576 10.450 1.00 0.00 C ATOM 6 CG MET A 1 -7.402 7.798 9.634 1.00 0.00 C ATOM 7 SD MET A 1 -8.102 6.473 10.650 1.00 0.00 S ATOM 8 CE MET A 1 -9.680 6.326 9.780 1.00 0.00 C ATOM 0 H1 MET A 1 -4.451 8.032 12.236 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.124 7.971 11.179 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.994 9.417 11.366 1.00 0.00 H new ATOM 0 HA MET A 1 -5.048 6.892 10.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.618 8.536 11.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.375 9.627 10.160 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.193 8.468 9.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.937 7.379 8.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.283 5.549 10.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.212 7.276 9.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.498 6.064 8.738 1.00 0.00 H new ATOM 20 N ASN A 2 -4.087 7.553 7.997 1.00 0.00 N ATOM 21 CA ASN A 2 -3.535 7.908 6.687 1.00 0.00 C ATOM 22 C ASN A 2 -4.665 8.113 5.679 1.00 0.00 C ATOM 23 O ASN A 2 -5.085 7.181 4.988 1.00 0.00 O ATOM 24 CB ASN A 2 -2.586 6.811 6.189 1.00 0.00 C ATOM 25 CG ASN A 2 -1.163 7.117 6.654 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.225 7.087 5.859 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.940 7.414 7.909 1.00 0.00 N ATOM 0 H ASN A 2 -4.199 6.551 8.153 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.974 8.837 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.903 5.840 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.620 6.753 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.008 7.619 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.714 7.440 8.572 1.00 0.00 H new ATOM 34 N ASP A 3 -5.156 9.352 5.614 1.00 0.00 N ATOM 35 CA ASP A 3 -6.249 9.697 4.699 1.00 0.00 C ATOM 36 C ASP A 3 -5.731 10.436 3.455 1.00 0.00 C ATOM 37 O ASP A 3 -6.492 10.689 2.519 1.00 0.00 O ATOM 38 CB ASP A 3 -7.283 10.582 5.406 1.00 0.00 C ATOM 39 CG ASP A 3 -7.689 9.944 6.733 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.511 9.041 6.709 1.00 0.00 O ATOM 41 OD2 ASP A 3 -7.171 10.366 7.755 1.00 0.00 O ATOM 0 H ASP A 3 -4.817 10.130 6.180 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.713 8.762 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.867 11.574 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.159 10.711 4.771 1.00 0.00 H new ATOM 46 N ILE A 4 -4.434 10.779 3.450 1.00 0.00 N ATOM 47 CA ILE A 4 -3.834 11.488 2.309 1.00 0.00 C ATOM 48 C ILE A 4 -3.924 10.650 1.027 1.00 0.00 C ATOM 49 O ILE A 4 -4.023 11.194 -0.074 1.00 0.00 O ATOM 50 CB ILE A 4 -2.363 11.839 2.586 1.00 0.00 C ATOM 51 CG1 ILE A 4 -1.589 10.583 3.021 1.00 0.00 C ATOM 52 CG2 ILE A 4 -2.289 12.887 3.698 1.00 0.00 C ATOM 53 CD1 ILE A 4 -0.832 10.008 1.823 1.00 0.00 C ATOM 0 H ILE A 4 -3.787 10.580 4.213 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.399 12.410 2.171 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.917 12.235 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.891 10.832 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.278 9.839 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.246 13.136 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.824 13.785 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.744 12.488 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.284 9.118 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.540 9.743 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.132 10.752 1.444 1.00 0.00 H new ATOM 65 N TYR A 5 -3.900 9.322 1.186 1.00 0.00 N ATOM 66 CA TYR A 5 -3.995 8.413 0.039 1.00 0.00 C ATOM 67 C TYR A 5 -5.378 8.523 -0.608 1.00 0.00 C ATOM 68 O TYR A 5 -5.515 8.435 -1.830 1.00 0.00 O ATOM 69 CB TYR A 5 -3.775 6.959 0.476 1.00 0.00 C ATOM 70 CG TYR A 5 -2.334 6.759 0.890 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.945 7.008 2.212 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.390 6.323 -0.048 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.615 6.823 2.597 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.057 6.138 0.338 1.00 0.00 C ATOM 75 CZ TYR A 5 0.331 6.388 1.661 1.00 0.00 C ATOM 76 OH TYR A 5 1.646 6.206 2.040 1.00 0.00 O ATOM 0 H TYR A 5 -3.816 8.856 2.090 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.223 8.697 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.438 6.715 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.025 6.283 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.674 7.343 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.690 6.130 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.316 7.016 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.673 5.802 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 5 2.169 5.901 1.270 1.00 0.00 H new ATOM 86 N LYS A 6 -6.397 8.718 0.236 1.00 0.00 N ATOM 87 CA LYS A 6 -7.778 8.842 -0.240 1.00 0.00 C ATOM 88 C LYS A 6 -8.023 10.209 -0.892 1.00 0.00 C ATOM 89 O LYS A 6 -8.913 10.354 -1.730 1.00 0.00 O ATOM 90 CB LYS A 6 -8.764 8.666 0.920 1.00 0.00 C ATOM 91 CG LYS A 6 -8.752 7.209 1.387 1.00 0.00 C ATOM 92 CD LYS A 6 -9.844 6.997 2.439 1.00 0.00 C ATOM 93 CE LYS A 6 -9.313 7.386 3.821 1.00 0.00 C ATOM 94 NZ LYS A 6 -10.427 7.350 4.812 1.00 0.00 N ATOM 0 H LYS A 6 -6.292 8.793 1.248 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.935 8.060 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.492 9.325 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.768 8.949 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.916 6.544 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.777 6.959 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.720 7.597 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.162 5.955 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.521 6.701 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.875 8.384 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.157 7.892 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.280 7.769 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.621 6.364 5.080 1.00 0.00 H new ATOM 108 N ALA A 7 -7.230 11.211 -0.498 1.00 0.00 N ATOM 109 CA ALA A 7 -7.377 12.558 -1.053 1.00 0.00 C ATOM 110 C ALA A 7 -7.060 12.580 -2.553 1.00 0.00 C ATOM 111 O ALA A 7 -7.701 13.302 -3.317 1.00 0.00 O ATOM 112 CB ALA A 7 -6.443 13.535 -0.336 1.00 0.00 C ATOM 0 H ALA A 7 -6.488 11.116 0.195 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.414 12.860 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.564 14.532 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.688 13.560 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.410 13.210 -0.462 1.00 0.00 H new ATOM 118 N ALA A 8 -6.062 11.785 -2.964 1.00 0.00 N ATOM 119 CA ALA A 8 -5.667 11.728 -4.376 1.00 0.00 C ATOM 120 C ALA A 8 -6.676 10.928 -5.192 1.00 0.00 C ATOM 121 O ALA A 8 -7.080 11.351 -6.277 1.00 0.00 O ATOM 122 CB ALA A 8 -4.288 11.085 -4.524 1.00 0.00 C ATOM 0 H ALA A 8 -5.520 11.180 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.634 12.752 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.013 11.052 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.552 11.672 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.314 10.071 -4.124 1.00 0.00 H new ATOM 128 N VAL A 9 -7.086 9.774 -4.660 1.00 0.00 N ATOM 129 CA VAL A 9 -8.065 8.930 -5.353 1.00 0.00 C ATOM 130 C VAL A 9 -9.416 9.658 -5.467 1.00 0.00 C ATOM 131 O VAL A 9 -10.218 9.366 -6.354 1.00 0.00 O ATOM 132 CB VAL A 9 -8.242 7.592 -4.616 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.994 7.808 -3.301 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.029 6.618 -5.499 1.00 0.00 C ATOM 0 H VAL A 9 -6.762 9.406 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.693 8.726 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.258 7.177 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.113 6.853 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.430 8.492 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.976 8.233 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.153 5.671 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.009 7.040 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.486 6.450 -6.429 1.00 0.00 H new ATOM 144 N GLU A 10 -9.646 10.621 -4.568 1.00 0.00 N ATOM 145 CA GLU A 10 -10.883 11.400 -4.584 1.00 0.00 C ATOM 146 C GLU A 10 -10.805 12.541 -5.610 1.00 0.00 C ATOM 147 O GLU A 10 -11.815 13.184 -5.904 1.00 0.00 O ATOM 148 CB GLU A 10 -11.161 11.995 -3.200 1.00 0.00 C ATOM 149 CG GLU A 10 -11.913 10.972 -2.343 1.00 0.00 C ATOM 150 CD GLU A 10 -12.033 11.490 -0.912 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.125 11.245 -0.133 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.031 12.126 -0.614 1.00 0.00 O ATOM 0 H GLU A 10 -8.995 10.877 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.691 10.724 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.224 12.271 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.750 12.907 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.904 10.792 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.386 10.018 -2.352 1.00 0.00 H new ATOM 159 N GLN A 11 -9.600 12.791 -6.153 1.00 0.00 N ATOM 160 CA GLN A 11 -9.428 13.864 -7.139 1.00 0.00 C ATOM 161 C GLN A 11 -8.628 13.386 -8.361 1.00 0.00 C ATOM 162 O GLN A 11 -7.977 14.184 -9.040 1.00 0.00 O ATOM 163 CB GLN A 11 -8.715 15.068 -6.500 1.00 0.00 C ATOM 164 CG GLN A 11 -7.271 14.699 -6.137 1.00 0.00 C ATOM 165 CD GLN A 11 -6.612 15.867 -5.408 1.00 0.00 C ATOM 166 OE1 GLN A 11 -6.581 16.988 -5.918 1.00 0.00 O ATOM 167 NE2 GLN A 11 -6.074 15.673 -4.233 1.00 0.00 N ATOM 0 H GLN A 11 -8.749 12.275 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.422 14.162 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.720 15.911 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.252 15.385 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.260 13.810 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.709 14.457 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.098 14.746 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.630 16.448 -3.741 1.00 0.00 H new ATOM 176 N LEU A 12 -8.686 12.079 -8.641 1.00 0.00 N ATOM 177 CA LEU A 12 -7.962 11.522 -9.788 1.00 0.00 C ATOM 178 C LEU A 12 -8.618 11.938 -11.108 1.00 0.00 C ATOM 179 O LEU A 12 -9.677 12.570 -11.126 1.00 0.00 O ATOM 180 CB LEU A 12 -7.912 9.993 -9.710 1.00 0.00 C ATOM 181 CG LEU A 12 -9.270 9.284 -9.704 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.565 8.717 -11.093 1.00 0.00 C ATOM 183 CD2 LEU A 12 -9.232 8.145 -8.687 1.00 0.00 C ATOM 0 H LEU A 12 -9.217 11.398 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.947 11.918 -9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.333 9.623 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.371 9.711 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.051 9.995 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.532 8.214 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.586 9.529 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.788 8.004 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.195 7.635 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.450 7.438 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.024 8.549 -7.696 1.00 0.00 H new ATOM 195 N THR A 13 -7.960 11.580 -12.212 1.00 0.00 N ATOM 196 CA THR A 13 -8.459 11.919 -13.546 1.00 0.00 C ATOM 197 C THR A 13 -8.842 10.664 -14.325 1.00 0.00 C ATOM 198 O THR A 13 -8.541 9.541 -13.913 1.00 0.00 O ATOM 199 CB THR A 13 -7.389 12.676 -14.349 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.100 12.433 -13.795 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.687 14.172 -14.311 1.00 0.00 C ATOM 0 H THR A 13 -7.084 11.058 -12.209 1.00 0.00 H new ATOM 0 HA THR A 13 -9.339 12.548 -13.410 1.00 0.00 H new ATOM 0 HB THR A 13 -7.404 12.326 -15.381 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.424 12.918 -14.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.928 14.709 -14.880 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.668 14.359 -14.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.678 14.519 -13.278 1.00 0.00 H new ATOM 209 N ASP A 14 -9.482 10.875 -15.480 1.00 0.00 N ATOM 210 CA ASP A 14 -9.873 9.761 -16.341 1.00 0.00 C ATOM 211 C ASP A 14 -8.625 9.146 -16.966 1.00 0.00 C ATOM 212 O ASP A 14 -8.549 7.933 -17.171 1.00 0.00 O ATOM 213 CB ASP A 14 -10.814 10.231 -17.455 1.00 0.00 C ATOM 214 CG ASP A 14 -11.398 9.020 -18.181 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.286 8.391 -17.628 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.945 8.739 -19.278 1.00 0.00 O ATOM 0 H ASP A 14 -9.737 11.797 -15.835 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.396 9.022 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.617 10.837 -17.035 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.273 10.863 -18.159 1.00 0.00 H new ATOM 221 N GLU A 15 -7.634 10.005 -17.241 1.00 0.00 N ATOM 222 CA GLU A 15 -6.369 9.551 -17.816 1.00 0.00 C ATOM 223 C GLU A 15 -5.652 8.609 -16.844 1.00 0.00 C ATOM 224 O GLU A 15 -4.911 7.720 -17.257 1.00 0.00 O ATOM 225 CB GLU A 15 -5.469 10.751 -18.144 1.00 0.00 C ATOM 226 CG GLU A 15 -4.916 11.390 -16.860 1.00 0.00 C ATOM 227 CD GLU A 15 -3.448 11.007 -16.684 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.649 11.381 -17.529 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.142 10.346 -15.705 1.00 0.00 O ATOM 0 H GLU A 15 -7.687 11.010 -17.075 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.583 9.011 -18.738 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.644 10.429 -18.779 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.035 11.492 -18.709 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.015 12.474 -16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.494 11.057 -15.998 1.00 0.00 H new ATOM 236 N GLN A 16 -5.902 8.813 -15.546 1.00 0.00 N ATOM 237 CA GLN A 16 -5.303 7.977 -14.504 1.00 0.00 C ATOM 238 C GLN A 16 -5.900 6.568 -14.545 1.00 0.00 C ATOM 239 O GLN A 16 -5.186 5.573 -14.398 1.00 0.00 O ATOM 240 CB GLN A 16 -5.560 8.589 -13.123 1.00 0.00 C ATOM 241 CG GLN A 16 -4.691 7.890 -12.074 1.00 0.00 C ATOM 242 CD GLN A 16 -5.530 7.583 -10.835 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.295 8.146 -9.765 1.00 0.00 O ATOM 244 NE2 GLN A 16 -6.502 6.716 -10.915 1.00 0.00 N ATOM 0 H GLN A 16 -6.514 9.549 -15.194 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.230 7.921 -14.685 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.337 9.656 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.613 8.488 -12.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.279 6.968 -12.484 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.846 8.525 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.697 6.249 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.066 6.505 -10.092 1.00 0.00 H new ATOM 253 N LYS A 17 -7.222 6.498 -14.753 1.00 0.00 N ATOM 254 CA LYS A 17 -7.924 5.210 -14.821 1.00 0.00 C ATOM 255 C LYS A 17 -7.548 4.435 -16.091 1.00 0.00 C ATOM 256 O LYS A 17 -7.751 3.225 -16.167 1.00 0.00 O ATOM 257 CB LYS A 17 -9.442 5.421 -14.807 1.00 0.00 C ATOM 258 CG LYS A 17 -9.867 6.052 -13.478 1.00 0.00 C ATOM 259 CD LYS A 17 -11.100 6.937 -13.698 1.00 0.00 C ATOM 260 CE LYS A 17 -12.373 6.097 -13.556 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.712 5.938 -12.111 1.00 0.00 N ATOM 0 H LYS A 17 -7.823 7.313 -14.876 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.621 4.633 -13.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.736 6.065 -15.636 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.952 4.468 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.092 5.273 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.050 6.645 -13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.108 7.752 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.061 7.391 -14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.198 6.577 -14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.228 5.119 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.576 5.367 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.928 5.461 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.868 6.874 -11.686 1.00 0.00 H new ATOM 275 N ASN A 18 -7.006 5.142 -17.087 1.00 0.00 N ATOM 276 CA ASN A 18 -6.611 4.510 -18.347 1.00 0.00 C ATOM 277 C ASN A 18 -5.097 4.282 -18.401 1.00 0.00 C ATOM 278 O ASN A 18 -4.626 3.359 -19.067 1.00 0.00 O ATOM 279 CB ASN A 18 -7.026 5.387 -19.532 1.00 0.00 C ATOM 280 CG ASN A 18 -8.514 5.196 -19.812 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.901 4.286 -20.544 1.00 0.00 O ATOM 282 ND2 ASN A 18 -9.379 6.010 -19.270 1.00 0.00 N ATOM 0 H ASN A 18 -6.832 6.146 -17.045 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.115 3.546 -18.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.818 6.434 -19.313 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.443 5.124 -20.414 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.375 5.891 -19.453 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.058 6.765 -18.663 1.00 0.00 H new ATOM 289 N GLU A 19 -4.340 5.134 -17.697 1.00 0.00 N ATOM 290 CA GLU A 19 -2.879 5.024 -17.669 1.00 0.00 C ATOM 291 C GLU A 19 -2.456 3.646 -17.162 1.00 0.00 C ATOM 292 O GLU A 19 -1.732 2.916 -17.841 1.00 0.00 O ATOM 293 CB GLU A 19 -2.282 6.100 -16.752 1.00 0.00 C ATOM 294 CG GLU A 19 -0.792 6.270 -17.053 1.00 0.00 C ATOM 295 CD GLU A 19 -0.591 7.445 -18.008 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.763 8.574 -17.575 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.272 7.198 -19.159 1.00 0.00 O ATOM 0 H GLU A 19 -4.715 5.903 -17.142 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.509 5.164 -18.685 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.802 7.046 -16.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.422 5.819 -15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.242 6.442 -16.128 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.394 5.357 -17.496 1.00 0.00 H new ATOM 304 N PHE A 20 -2.921 3.303 -15.958 1.00 0.00 N ATOM 305 CA PHE A 20 -2.593 2.011 -15.359 1.00 0.00 C ATOM 306 C PHE A 20 -3.363 0.882 -16.039 1.00 0.00 C ATOM 307 O PHE A 20 -2.811 -0.185 -16.283 1.00 0.00 O ATOM 308 CB PHE A 20 -2.930 2.001 -13.866 1.00 0.00 C ATOM 309 CG PHE A 20 -1.793 2.617 -13.083 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.708 4.007 -12.947 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.826 1.797 -12.494 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.656 4.574 -12.218 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.226 2.362 -11.766 1.00 0.00 C ATOM 314 CZ PHE A 20 0.311 3.752 -11.628 1.00 0.00 C ATOM 0 H PHE A 20 -3.520 3.897 -15.385 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.523 1.855 -15.494 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.850 2.557 -13.687 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.104 0.979 -13.530 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.453 4.642 -13.404 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.892 0.724 -12.601 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.591 5.647 -12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.972 1.727 -11.311 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.123 4.190 -11.066 1.00 0.00 H new ATOM 324 N LYS A 21 -4.646 1.124 -16.336 1.00 0.00 N ATOM 325 CA LYS A 21 -5.479 0.102 -16.980 1.00 0.00 C ATOM 326 C LYS A 21 -4.855 -0.377 -18.298 1.00 0.00 C ATOM 327 O LYS A 21 -4.979 -1.550 -18.657 1.00 0.00 O ATOM 328 CB LYS A 21 -6.887 0.643 -17.242 1.00 0.00 C ATOM 329 CG LYS A 21 -7.826 -0.511 -17.610 1.00 0.00 C ATOM 330 CD LYS A 21 -8.236 -1.267 -16.342 1.00 0.00 C ATOM 331 CE LYS A 21 -9.562 -1.994 -16.584 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.317 -3.240 -17.369 1.00 0.00 N ATOM 0 H LYS A 21 -5.124 2.005 -16.144 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.542 -0.747 -16.300 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.259 1.159 -16.357 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.861 1.375 -18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.710 -0.125 -18.117 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.330 -1.189 -18.305 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.462 -1.983 -16.067 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.338 -0.572 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.032 -2.239 -15.632 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.252 -1.343 -17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.219 -3.731 -17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.887 -2.995 -18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.674 -3.863 -16.840 1.00 0.00 H new ATOM 346 N ALA A 22 -4.170 0.532 -19.003 1.00 0.00 N ATOM 347 CA ALA A 22 -3.514 0.175 -20.266 1.00 0.00 C ATOM 348 C ALA A 22 -2.442 -0.884 -20.012 1.00 0.00 C ATOM 349 O ALA A 22 -2.433 -1.944 -20.642 1.00 0.00 O ATOM 350 CB ALA A 22 -2.858 1.403 -20.901 1.00 0.00 C ATOM 0 H ALA A 22 -4.056 1.507 -18.725 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.272 -0.216 -20.945 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.377 1.116 -21.836 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.617 2.159 -21.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.111 1.810 -20.219 1.00 0.00 H new ATOM 356 N ALA A 23 -1.554 -0.587 -19.057 1.00 0.00 N ATOM 357 CA ALA A 23 -0.487 -1.515 -18.685 1.00 0.00 C ATOM 358 C ALA A 23 -1.083 -2.755 -18.013 1.00 0.00 C ATOM 359 O ALA A 23 -0.578 -3.864 -18.165 1.00 0.00 O ATOM 360 CB ALA A 23 0.495 -0.846 -17.717 1.00 0.00 C ATOM 0 H ALA A 23 -1.555 0.287 -18.531 1.00 0.00 H new ATOM 0 HA ALA A 23 0.044 -1.805 -19.591 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.282 -1.552 -17.451 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.938 0.028 -18.194 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.035 -0.538 -16.816 1.00 0.00 H new ATOM 366 N PHE A 24 -2.176 -2.544 -17.276 1.00 0.00 N ATOM 367 CA PHE A 24 -2.858 -3.636 -16.586 1.00 0.00 C ATOM 368 C PHE A 24 -3.346 -4.684 -17.589 1.00 0.00 C ATOM 369 O PHE A 24 -3.210 -5.884 -17.358 1.00 0.00 O ATOM 370 CB PHE A 24 -4.064 -3.096 -15.805 1.00 0.00 C ATOM 371 CG PHE A 24 -4.520 -4.112 -14.784 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.274 -5.221 -15.188 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.192 -3.944 -13.436 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.697 -6.160 -14.242 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.614 -4.883 -12.491 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.367 -5.990 -12.894 1.00 0.00 C ATOM 0 H PHE A 24 -2.605 -1.628 -17.143 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.149 -4.097 -15.898 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.797 -2.164 -15.307 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.879 -2.868 -16.492 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.529 -5.351 -16.229 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.612 -3.088 -13.124 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.278 -7.016 -14.552 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.359 -4.754 -11.450 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.694 -6.715 -12.163 1.00 0.00 H new ATOM 386 N ASP A 25 -3.921 -4.211 -18.697 1.00 0.00 N ATOM 387 CA ASP A 25 -4.445 -5.108 -19.732 1.00 0.00 C ATOM 388 C ASP A 25 -3.332 -5.930 -20.390 1.00 0.00 C ATOM 389 O ASP A 25 -3.474 -7.140 -20.574 1.00 0.00 O ATOM 390 CB ASP A 25 -5.177 -4.308 -20.816 1.00 0.00 C ATOM 391 CG ASP A 25 -6.375 -5.108 -21.320 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.436 -4.980 -20.733 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.212 -5.839 -22.284 1.00 0.00 O ATOM 0 H ASP A 25 -4.036 -3.218 -18.901 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.138 -5.790 -19.240 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.509 -3.351 -20.414 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.499 -4.090 -21.641 1.00 0.00 H new ATOM 398 N ILE A 26 -2.231 -5.263 -20.756 1.00 0.00 N ATOM 399 CA ILE A 26 -1.109 -5.955 -21.411 1.00 0.00 C ATOM 400 C ILE A 26 -0.436 -6.957 -20.465 1.00 0.00 C ATOM 401 O ILE A 26 -0.047 -8.048 -20.886 1.00 0.00 O ATOM 402 CB ILE A 26 -0.059 -4.956 -21.931 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.415 -4.043 -20.793 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.676 -4.105 -23.046 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.546 -3.137 -21.282 1.00 0.00 C ATOM 0 H ILE A 26 -2.091 -4.263 -20.614 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.528 -6.499 -22.257 1.00 0.00 H new ATOM 0 HB ILE A 26 0.796 -5.509 -22.319 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.416 -3.437 -20.432 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.759 -4.646 -19.952 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.065 -3.397 -23.416 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.998 -4.752 -23.862 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.535 -3.560 -22.655 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.875 -2.493 -20.466 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.382 -3.749 -21.621 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.188 -2.522 -22.108 1.00 0.00 H new ATOM 417 N PHE A 27 -0.302 -6.584 -19.186 1.00 0.00 N ATOM 418 CA PHE A 27 0.328 -7.473 -18.201 1.00 0.00 C ATOM 419 C PHE A 27 -0.633 -8.588 -17.772 1.00 0.00 C ATOM 420 O PHE A 27 -0.202 -9.701 -17.466 1.00 0.00 O ATOM 421 CB PHE A 27 0.780 -6.688 -16.961 1.00 0.00 C ATOM 422 CG PHE A 27 1.877 -5.710 -17.339 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.922 -6.111 -18.184 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.843 -4.400 -16.847 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.927 -5.202 -18.536 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.849 -3.492 -17.200 1.00 0.00 C ATOM 427 CZ PHE A 27 3.890 -3.893 -18.044 1.00 0.00 C ATOM 0 H PHE A 27 -0.615 -5.688 -18.813 1.00 0.00 H new ATOM 0 HA PHE A 27 1.200 -7.919 -18.678 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.066 -6.151 -16.532 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.142 -7.376 -16.197 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.952 -7.122 -18.563 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.040 -4.089 -16.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.731 -5.511 -19.187 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.821 -2.481 -16.820 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.665 -3.192 -18.316 1.00 0.00 H new ATOM 437 N ILE A 28 -1.938 -8.284 -17.762 1.00 0.00 N ATOM 438 CA ILE A 28 -2.950 -9.272 -17.381 1.00 0.00 C ATOM 439 C ILE A 28 -3.629 -9.846 -18.643 1.00 0.00 C ATOM 440 O ILE A 28 -4.818 -10.171 -18.657 1.00 0.00 O ATOM 441 CB ILE A 28 -3.970 -8.624 -16.415 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.435 -9.661 -15.382 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.178 -8.036 -17.162 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.320 -10.725 -16.038 1.00 0.00 C ATOM 0 H ILE A 28 -2.313 -7.369 -18.012 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.479 -10.104 -16.858 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.472 -7.798 -15.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.569 -10.136 -14.922 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.987 -9.164 -14.584 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.868 -7.592 -16.445 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.837 -7.271 -17.860 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.686 -8.828 -17.712 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.637 -11.448 -15.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.197 -10.249 -16.476 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.757 -11.236 -16.819 1.00 0.00 H new ATOM 456 N GLN A 29 -2.837 -9.979 -19.706 1.00 0.00 N ATOM 457 CA GLN A 29 -3.335 -10.516 -20.972 1.00 0.00 C ATOM 458 C GLN A 29 -3.398 -12.041 -20.908 1.00 0.00 C ATOM 459 O GLN A 29 -4.442 -12.642 -21.166 1.00 0.00 O ATOM 460 CB GLN A 29 -2.422 -10.094 -22.127 1.00 0.00 C ATOM 461 CG GLN A 29 -3.058 -10.487 -23.461 1.00 0.00 C ATOM 462 CD GLN A 29 -2.416 -9.680 -24.584 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.528 -10.172 -25.282 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.814 -8.457 -24.804 1.00 0.00 N ATOM 0 H GLN A 29 -1.850 -9.723 -19.716 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.335 -10.119 -21.143 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.256 -9.017 -22.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.447 -10.570 -22.024 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.923 -11.553 -23.641 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.132 -10.302 -23.433 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.549 -8.048 -24.227 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.390 -7.910 -25.553 1.00 0.00 H new ATOM 473 N ASP A 30 -2.266 -12.653 -20.553 1.00 0.00 N ATOM 474 CA ASP A 30 -2.189 -14.111 -20.445 1.00 0.00 C ATOM 475 C ASP A 30 -2.561 -14.591 -19.032 1.00 0.00 C ATOM 476 O ASP A 30 -2.556 -15.794 -18.763 1.00 0.00 O ATOM 477 CB ASP A 30 -0.773 -14.593 -20.784 1.00 0.00 C ATOM 478 CG ASP A 30 -0.831 -16.008 -21.355 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.241 -16.152 -22.496 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.463 -16.928 -20.643 1.00 0.00 O ATOM 0 H ASP A 30 -1.396 -12.166 -20.337 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.903 -14.531 -21.154 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.312 -13.918 -21.506 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.150 -14.577 -19.890 1.00 0.00 H new ATOM 485 N ALA A 31 -2.889 -13.649 -18.132 1.00 0.00 N ATOM 486 CA ALA A 31 -3.263 -14.011 -16.767 1.00 0.00 C ATOM 487 C ALA A 31 -4.771 -14.232 -16.670 1.00 0.00 C ATOM 488 O ALA A 31 -5.551 -13.646 -17.424 1.00 0.00 O ATOM 489 CB ALA A 31 -2.856 -12.913 -15.781 1.00 0.00 C ATOM 0 H ALA A 31 -2.901 -12.648 -18.326 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.740 -14.933 -16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.145 -13.205 -14.771 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.776 -12.769 -15.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.357 -11.982 -16.046 1.00 0.00 H new ATOM 495 N GLU A 32 -5.165 -15.093 -15.733 1.00 0.00 N ATOM 496 CA GLU A 32 -6.580 -15.407 -15.530 1.00 0.00 C ATOM 497 C GLU A 32 -6.980 -15.204 -14.064 1.00 0.00 C ATOM 498 O GLU A 32 -7.730 -16.002 -13.493 1.00 0.00 O ATOM 499 CB GLU A 32 -6.860 -16.858 -15.939 1.00 0.00 C ATOM 500 CG GLU A 32 -6.694 -17.000 -17.455 1.00 0.00 C ATOM 501 CD GLU A 32 -5.621 -18.041 -17.760 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.455 -17.682 -17.749 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.980 -19.182 -18.002 1.00 0.00 O ATOM 0 H GLU A 32 -4.529 -15.584 -15.105 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.169 -14.732 -16.150 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.176 -17.532 -15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.870 -17.142 -15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.640 -17.296 -17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.418 -16.040 -17.892 1.00 0.00 H new ATOM 510 N ASP A 33 -6.467 -14.128 -13.458 1.00 0.00 N ATOM 511 CA ASP A 33 -6.774 -13.831 -12.053 1.00 0.00 C ATOM 512 C ASP A 33 -7.216 -12.370 -11.850 1.00 0.00 C ATOM 513 O ASP A 33 -7.507 -11.960 -10.722 1.00 0.00 O ATOM 514 CB ASP A 33 -5.547 -14.104 -11.177 1.00 0.00 C ATOM 515 CG ASP A 33 -5.215 -15.595 -11.212 1.00 0.00 C ATOM 516 OD1 ASP A 33 -5.768 -16.324 -10.405 1.00 0.00 O ATOM 517 OD2 ASP A 33 -4.415 -15.984 -12.047 1.00 0.00 O ATOM 0 H ASP A 33 -5.846 -13.456 -13.909 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.600 -14.481 -11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.696 -13.523 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.742 -13.788 -10.152 1.00 0.00 H new ATOM 522 N GLY A 34 -7.267 -11.586 -12.938 1.00 0.00 N ATOM 523 CA GLY A 34 -7.677 -10.180 -12.847 1.00 0.00 C ATOM 524 C GLY A 34 -6.684 -9.364 -12.014 1.00 0.00 C ATOM 525 O GLY A 34 -7.076 -8.474 -11.256 1.00 0.00 O ATOM 0 H GLY A 34 -7.032 -11.899 -13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.751 -9.755 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.669 -10.116 -12.400 1.00 0.00 H new ATOM 529 N CYS A 35 -5.394 -9.681 -12.164 1.00 0.00 N ATOM 530 CA CYS A 35 -4.341 -8.982 -11.425 1.00 0.00 C ATOM 531 C CYS A 35 -2.990 -9.181 -12.110 1.00 0.00 C ATOM 532 O CYS A 35 -2.736 -10.225 -12.718 1.00 0.00 O ATOM 533 CB CYS A 35 -4.258 -9.503 -9.987 1.00 0.00 C ATOM 534 SG CYS A 35 -4.162 -11.312 -10.003 1.00 0.00 S ATOM 0 H CYS A 35 -5.056 -10.414 -12.788 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.587 -7.920 -11.409 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.383 -9.086 -9.488 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.132 -9.180 -9.421 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.595 -11.707 -11.104 1.00 0.00 H new ATOM 540 N ILE A 36 -2.121 -8.174 -12.000 1.00 0.00 N ATOM 541 CA ILE A 36 -0.793 -8.259 -12.613 1.00 0.00 C ATOM 542 C ILE A 36 0.175 -8.977 -11.668 1.00 0.00 C ATOM 543 O ILE A 36 -0.158 -9.260 -10.515 1.00 0.00 O ATOM 544 CB ILE A 36 -0.239 -6.863 -12.958 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.178 -6.125 -11.678 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.309 -6.044 -13.690 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.707 -6.125 -11.564 1.00 0.00 C ATOM 0 H ILE A 36 -2.307 -7.304 -11.501 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.890 -8.824 -13.540 1.00 0.00 H new ATOM 0 HB ILE A 36 0.632 -6.984 -13.602 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.196 -5.101 -11.697 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.262 -6.609 -10.806 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.911 -5.058 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.593 -6.556 -14.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.185 -5.935 -13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.004 -5.601 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.069 -7.152 -11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.136 -5.621 -12.430 1.00 0.00 H new ATOM 559 N SER A 37 1.375 -9.268 -12.171 1.00 0.00 N ATOM 560 CA SER A 37 2.383 -9.953 -11.363 1.00 0.00 C ATOM 561 C SER A 37 3.276 -8.944 -10.646 1.00 0.00 C ATOM 562 O SER A 37 4.049 -8.221 -11.280 1.00 0.00 O ATOM 563 CB SER A 37 3.253 -10.858 -12.241 1.00 0.00 C ATOM 564 OG SER A 37 4.133 -11.609 -11.415 1.00 0.00 O ATOM 0 H SER A 37 1.670 -9.044 -13.121 1.00 0.00 H new ATOM 0 HA SER A 37 1.861 -10.560 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.624 -11.529 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.824 -10.257 -12.949 1.00 0.00 H new ATOM 0 HG SER A 37 4.690 -12.190 -11.974 1.00 0.00 H new ATOM 570 N THR A 38 3.167 -8.912 -9.315 1.00 0.00 N ATOM 571 CA THR A 38 3.981 -8.000 -8.498 1.00 0.00 C ATOM 572 C THR A 38 5.468 -8.217 -8.785 1.00 0.00 C ATOM 573 O THR A 38 6.262 -7.276 -8.763 1.00 0.00 O ATOM 574 CB THR A 38 3.729 -8.223 -7.001 1.00 0.00 C ATOM 575 OG1 THR A 38 4.108 -9.548 -6.637 1.00 0.00 O ATOM 576 CG2 THR A 38 2.247 -8.006 -6.688 1.00 0.00 C ATOM 0 H THR A 38 2.529 -9.501 -8.781 1.00 0.00 H new ATOM 0 HA THR A 38 3.696 -6.981 -8.759 1.00 0.00 H new ATOM 0 HB THR A 38 4.325 -7.511 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.408 -10.176 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.073 -8.165 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.964 -6.987 -6.953 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.647 -8.711 -7.264 1.00 0.00 H new ATOM 584 N LYS A 39 5.827 -9.473 -9.072 1.00 0.00 N ATOM 585 CA LYS A 39 7.216 -9.817 -9.389 1.00 0.00 C ATOM 586 C LYS A 39 7.641 -9.120 -10.683 1.00 0.00 C ATOM 587 O LYS A 39 8.803 -8.741 -10.847 1.00 0.00 O ATOM 588 CB LYS A 39 7.376 -11.331 -9.572 1.00 0.00 C ATOM 589 CG LYS A 39 6.824 -12.064 -8.347 1.00 0.00 C ATOM 590 CD LYS A 39 6.283 -13.434 -8.769 1.00 0.00 C ATOM 591 CE LYS A 39 6.878 -14.524 -7.872 1.00 0.00 C ATOM 592 NZ LYS A 39 6.136 -14.571 -6.579 1.00 0.00 N ATOM 0 H LYS A 39 5.181 -10.262 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 39 7.842 -9.488 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.849 -11.656 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.428 -11.580 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.608 -12.186 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.032 -11.475 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.195 -13.444 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.535 -13.630 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.820 -15.491 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.934 -14.322 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.542 -15.312 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.213 -13.651 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.134 -14.783 -6.761 1.00 0.00 H new ATOM 606 N GLU A 40 6.676 -8.957 -11.596 1.00 0.00 N ATOM 607 CA GLU A 40 6.937 -8.303 -12.881 1.00 0.00 C ATOM 608 C GLU A 40 6.591 -6.803 -12.833 1.00 0.00 C ATOM 609 O GLU A 40 6.468 -6.158 -13.877 1.00 0.00 O ATOM 610 CB GLU A 40 6.118 -8.968 -13.991 1.00 0.00 C ATOM 611 CG GLU A 40 6.631 -10.392 -14.225 1.00 0.00 C ATOM 612 CD GLU A 40 6.327 -10.815 -15.658 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.257 -11.358 -15.881 1.00 0.00 O ATOM 614 OE2 GLU A 40 7.169 -10.590 -16.514 1.00 0.00 O ATOM 0 H GLU A 40 5.713 -9.268 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 40 8.002 -8.409 -13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.064 -8.991 -13.715 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.194 -8.388 -14.910 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.704 -10.438 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.158 -11.080 -13.524 1.00 0.00 H new ATOM 621 N LEU A 41 6.448 -6.249 -11.616 1.00 0.00 N ATOM 622 CA LEU A 41 6.135 -4.822 -11.458 1.00 0.00 C ATOM 623 C LEU A 41 7.210 -3.956 -12.127 1.00 0.00 C ATOM 624 O LEU A 41 6.929 -2.843 -12.569 1.00 0.00 O ATOM 625 CB LEU A 41 6.035 -4.447 -9.972 1.00 0.00 C ATOM 626 CG LEU A 41 5.134 -3.244 -9.636 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.832 -1.944 -10.044 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.796 -3.362 -10.380 1.00 0.00 C ATOM 0 H LEU A 41 6.543 -6.762 -10.739 1.00 0.00 H new ATOM 0 HA LEU A 41 5.174 -4.638 -11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.668 -5.314 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.039 -4.238 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 41 4.946 -3.234 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.191 -1.096 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.774 -1.851 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.029 -1.958 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.167 -2.506 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.978 -3.383 -11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.292 -4.281 -10.079 1.00 0.00 H new ATOM 640 N GLY A 42 8.441 -4.485 -12.215 1.00 0.00 N ATOM 641 CA GLY A 42 9.540 -3.755 -12.856 1.00 0.00 C ATOM 642 C GLY A 42 9.181 -3.406 -14.304 1.00 0.00 C ATOM 643 O GLY A 42 9.490 -2.315 -14.785 1.00 0.00 O ATOM 0 H GLY A 42 8.696 -5.404 -11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.753 -2.843 -12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.447 -4.360 -12.836 1.00 0.00 H new ATOM 647 N LYS A 43 8.502 -4.345 -14.980 1.00 0.00 N ATOM 648 CA LYS A 43 8.072 -4.134 -16.368 1.00 0.00 C ATOM 649 C LYS A 43 6.984 -3.053 -16.436 1.00 0.00 C ATOM 650 O LYS A 43 6.753 -2.453 -17.488 1.00 0.00 O ATOM 651 CB LYS A 43 7.511 -5.432 -16.967 1.00 0.00 C ATOM 652 CG LYS A 43 8.563 -6.544 -16.886 1.00 0.00 C ATOM 653 CD LYS A 43 9.315 -6.640 -18.215 1.00 0.00 C ATOM 654 CE LYS A 43 10.539 -7.545 -18.045 1.00 0.00 C ATOM 655 NZ LYS A 43 10.720 -8.377 -19.269 1.00 0.00 N ATOM 0 H LYS A 43 8.241 -5.251 -14.591 1.00 0.00 H new ATOM 0 HA LYS A 43 8.944 -3.816 -16.939 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.611 -5.731 -16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.222 -5.268 -18.005 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.262 -6.338 -16.076 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.083 -7.496 -16.659 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.659 -7.039 -18.988 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.626 -5.648 -18.542 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.429 -6.941 -17.869 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.411 -8.186 -17.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.551 -8.991 -19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.875 -8.964 -19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.861 -7.757 -20.092 1.00 0.00 H new ATOM 669 N VAL A 44 6.330 -2.807 -15.295 1.00 0.00 N ATOM 670 CA VAL A 44 5.278 -1.795 -15.208 1.00 0.00 C ATOM 671 C VAL A 44 5.905 -0.430 -14.958 1.00 0.00 C ATOM 672 O VAL A 44 5.548 0.558 -15.598 1.00 0.00 O ATOM 673 CB VAL A 44 4.313 -2.100 -14.055 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.062 -1.236 -14.203 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.917 -3.582 -14.072 1.00 0.00 C ATOM 0 H VAL A 44 6.513 -3.297 -14.419 1.00 0.00 H new ATOM 0 HA VAL A 44 4.727 -1.801 -16.148 1.00 0.00 H new ATOM 0 HB VAL A 44 4.806 -1.878 -13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.373 -1.450 -13.385 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.342 -0.183 -14.176 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.577 -1.458 -15.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.232 -3.785 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.428 -3.817 -15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.809 -4.198 -13.962 1.00 0.00 H new ATOM 685 N MET A 45 6.847 -0.398 -14.010 1.00 0.00 N ATOM 686 CA MET A 45 7.539 0.841 -13.658 1.00 0.00 C ATOM 687 C MET A 45 8.160 1.483 -14.894 1.00 0.00 C ATOM 688 O MET A 45 8.064 2.693 -15.082 1.00 0.00 O ATOM 689 CB MET A 45 8.643 0.571 -12.629 1.00 0.00 C ATOM 690 CG MET A 45 8.017 0.346 -11.251 1.00 0.00 C ATOM 691 SD MET A 45 7.650 1.945 -10.484 1.00 0.00 S ATOM 692 CE MET A 45 6.857 1.306 -8.989 1.00 0.00 C ATOM 0 H MET A 45 7.145 -1.214 -13.476 1.00 0.00 H new ATOM 0 HA MET A 45 6.802 1.520 -13.230 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.222 -0.304 -12.924 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.334 1.413 -12.593 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.104 -0.241 -11.346 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.698 -0.224 -10.619 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.138 1.923 -8.136 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.774 1.330 -9.113 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.180 0.279 -8.816 1.00 0.00 H new ATOM 702 N ARG A 46 8.792 0.660 -15.741 1.00 0.00 N ATOM 703 CA ARG A 46 9.420 1.179 -16.964 1.00 0.00 C ATOM 704 C ARG A 46 8.371 1.795 -17.899 1.00 0.00 C ATOM 705 O ARG A 46 8.650 2.765 -18.606 1.00 0.00 O ATOM 706 CB ARG A 46 10.191 0.075 -17.703 1.00 0.00 C ATOM 707 CG ARG A 46 9.264 -1.100 -18.035 1.00 0.00 C ATOM 708 CD ARG A 46 9.808 -1.859 -19.248 1.00 0.00 C ATOM 709 NE ARG A 46 11.059 -2.549 -18.917 1.00 0.00 N ATOM 710 CZ ARG A 46 11.801 -3.152 -19.858 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.421 -3.151 -21.115 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.917 -3.747 -19.519 1.00 0.00 N ATOM 0 H ARG A 46 8.882 -0.347 -15.607 1.00 0.00 H new ATOM 0 HA ARG A 46 10.125 1.955 -16.665 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.622 0.476 -18.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.020 -0.272 -17.087 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.189 -1.770 -17.178 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.258 -0.735 -18.243 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.069 -2.583 -19.590 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.978 -1.164 -20.070 1.00 0.00 H new ATOM 0 HE ARG A 46 11.373 -2.571 -17.947 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.553 -2.688 -21.385 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.994 -3.613 -21.821 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.218 -3.750 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.486 -4.207 -20.230 1.00 0.00 H new ATOM 726 N MET A 47 7.158 1.232 -17.878 1.00 0.00 N ATOM 727 CA MET A 47 6.063 1.739 -18.710 1.00 0.00 C ATOM 728 C MET A 47 5.489 3.028 -18.109 1.00 0.00 C ATOM 729 O MET A 47 5.044 3.920 -18.834 1.00 0.00 O ATOM 730 CB MET A 47 4.942 0.697 -18.813 1.00 0.00 C ATOM 731 CG MET A 47 4.946 0.068 -20.209 1.00 0.00 C ATOM 732 SD MET A 47 6.292 -1.136 -20.332 1.00 0.00 S ATOM 733 CE MET A 47 7.363 -0.179 -21.432 1.00 0.00 C ATOM 0 H MET A 47 6.911 0.430 -17.298 1.00 0.00 H new ATOM 0 HA MET A 47 6.462 1.945 -19.703 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.080 -0.075 -18.056 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.978 1.166 -18.618 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.990 -0.420 -20.401 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.067 0.842 -20.967 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.094 -0.842 -21.895 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.760 0.293 -22.207 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.881 0.589 -20.858 1.00 0.00 H new ATOM 743 N LEU A 48 5.509 3.110 -16.773 1.00 0.00 N ATOM 744 CA LEU A 48 4.995 4.285 -16.063 1.00 0.00 C ATOM 745 C LEU A 48 5.986 5.453 -16.142 1.00 0.00 C ATOM 746 O LEU A 48 5.589 6.619 -16.108 1.00 0.00 O ATOM 747 CB LEU A 48 4.745 3.945 -14.587 1.00 0.00 C ATOM 748 CG LEU A 48 3.355 3.376 -14.255 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.888 2.429 -15.367 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.427 2.604 -12.933 1.00 0.00 C ATOM 0 H LEU A 48 5.875 2.378 -16.164 1.00 0.00 H new ATOM 0 HA LEU A 48 4.060 4.578 -16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.497 3.224 -14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.898 4.848 -13.995 1.00 0.00 H new ATOM 0 HG LEU A 48 2.647 4.200 -14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.903 2.034 -15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.833 2.974 -16.310 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.595 1.605 -15.464 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.444 2.199 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.143 1.787 -13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.746 3.276 -12.136 1.00 0.00 H new ATOM 762 N GLY A 49 7.279 5.123 -16.246 1.00 0.00 N ATOM 763 CA GLY A 49 8.329 6.144 -16.331 1.00 0.00 C ATOM 764 C GLY A 49 9.262 6.098 -15.115 1.00 0.00 C ATOM 765 O GLY A 49 9.844 7.114 -14.732 1.00 0.00 O ATOM 0 H GLY A 49 7.622 4.163 -16.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.910 5.995 -17.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.872 7.131 -16.403 1.00 0.00 H new ATOM 769 N GLN A 50 9.404 4.908 -14.519 1.00 0.00 N ATOM 770 CA GLN A 50 10.269 4.728 -13.350 1.00 0.00 C ATOM 771 C GLN A 50 11.139 3.483 -13.527 1.00 0.00 C ATOM 772 O GLN A 50 10.941 2.700 -14.460 1.00 0.00 O ATOM 773 CB GLN A 50 9.436 4.567 -12.068 1.00 0.00 C ATOM 774 CG GLN A 50 8.305 5.604 -12.028 1.00 0.00 C ATOM 775 CD GLN A 50 8.878 6.998 -11.769 1.00 0.00 C ATOM 776 OE1 GLN A 50 9.805 7.161 -10.974 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.374 8.025 -12.401 1.00 0.00 N ATOM 0 H GLN A 50 8.932 4.058 -14.827 1.00 0.00 H new ATOM 0 HA GLN A 50 10.896 5.615 -13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.017 3.562 -12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.076 4.685 -11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.760 5.596 -12.972 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.591 5.345 -11.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.607 7.892 -13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.748 8.959 -12.236 1.00 0.00 H new ATOM 786 N ASN A 51 12.103 3.302 -12.621 1.00 0.00 N ATOM 787 CA ASN A 51 12.992 2.141 -12.692 1.00 0.00 C ATOM 788 C ASN A 51 13.624 1.850 -11.324 1.00 0.00 C ATOM 789 O ASN A 51 14.820 2.072 -11.118 1.00 0.00 O ATOM 790 CB ASN A 51 14.098 2.379 -13.729 1.00 0.00 C ATOM 791 CG ASN A 51 14.638 1.038 -14.225 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.873 0.166 -14.638 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.927 0.822 -14.213 1.00 0.00 N ATOM 0 H ASN A 51 12.286 3.934 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 51 12.395 1.279 -12.992 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.706 2.956 -14.567 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.904 2.965 -13.287 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.298 -0.068 -14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.562 1.543 -13.871 1.00 0.00 H new ATOM 800 N PRO A 52 12.825 1.338 -10.377 1.00 0.00 N ATOM 801 CA PRO A 52 13.314 1.004 -9.027 1.00 0.00 C ATOM 802 C PRO A 52 13.949 -0.391 -8.980 1.00 0.00 C ATOM 803 O PRO A 52 14.352 -0.936 -10.010 1.00 0.00 O ATOM 804 CB PRO A 52 12.029 1.057 -8.204 1.00 0.00 C ATOM 805 CG PRO A 52 10.872 0.808 -9.164 1.00 0.00 C ATOM 806 CD PRO A 52 11.387 1.063 -10.586 1.00 0.00 C ATOM 0 HA PRO A 52 14.097 1.673 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.045 0.304 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.923 2.026 -7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.507 -0.214 -9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.036 1.469 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.231 0.199 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.879 1.906 -11.054 1.00 0.00 H new ATOM 814 N THR A 53 14.030 -0.965 -7.778 1.00 0.00 N ATOM 815 CA THR A 53 14.609 -2.298 -7.609 1.00 0.00 C ATOM 816 C THR A 53 13.495 -3.301 -7.300 1.00 0.00 C ATOM 817 O THR A 53 12.354 -2.905 -7.047 1.00 0.00 O ATOM 818 CB THR A 53 15.636 -2.292 -6.461 1.00 0.00 C ATOM 819 OG1 THR A 53 14.965 -2.430 -5.214 1.00 0.00 O ATOM 820 CG2 THR A 53 16.416 -0.976 -6.470 1.00 0.00 C ATOM 0 H THR A 53 13.705 -0.531 -6.914 1.00 0.00 H new ATOM 0 HA THR A 53 15.115 -2.586 -8.530 1.00 0.00 H new ATOM 0 HB THR A 53 16.325 -3.125 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.477 -1.973 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.141 -0.977 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.938 -0.869 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.725 -0.143 -6.340 1.00 0.00 H new ATOM 828 N PRO A 54 13.804 -4.604 -7.295 1.00 0.00 N ATOM 829 CA PRO A 54 12.795 -5.632 -6.990 1.00 0.00 C ATOM 830 C PRO A 54 12.452 -5.670 -5.500 1.00 0.00 C ATOM 831 O PRO A 54 11.335 -6.022 -5.121 1.00 0.00 O ATOM 832 CB PRO A 54 13.471 -6.917 -7.457 1.00 0.00 C ATOM 833 CG PRO A 54 14.970 -6.651 -7.460 1.00 0.00 C ATOM 834 CD PRO A 54 15.158 -5.134 -7.579 1.00 0.00 C ATOM 0 HA PRO A 54 11.837 -5.453 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.227 -7.746 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.126 -7.195 -8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.430 -7.026 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.451 -7.165 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.894 -4.762 -6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.503 -4.847 -8.572 1.00 0.00 H new ATOM 842 N GLU A 55 13.419 -5.270 -4.662 1.00 0.00 N ATOM 843 CA GLU A 55 13.194 -5.231 -3.217 1.00 0.00 C ATOM 844 C GLU A 55 12.450 -3.947 -2.828 1.00 0.00 C ATOM 845 O GLU A 55 11.678 -3.937 -1.867 1.00 0.00 O ATOM 846 CB GLU A 55 14.517 -5.323 -2.438 1.00 0.00 C ATOM 847 CG GLU A 55 15.442 -4.159 -2.810 1.00 0.00 C ATOM 848 CD GLU A 55 16.672 -4.177 -1.908 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.609 -3.589 -0.841 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.660 -4.779 -2.298 1.00 0.00 O ATOM 0 H GLU A 55 14.349 -4.974 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 55 12.584 -6.096 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.317 -5.308 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.009 -6.271 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.743 -4.239 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.913 -3.212 -2.703 1.00 0.00 H new ATOM 857 N GLU A 56 12.681 -2.863 -3.591 1.00 0.00 N ATOM 858 CA GLU A 56 12.017 -1.588 -3.317 1.00 0.00 C ATOM 859 C GLU A 56 10.536 -1.679 -3.682 1.00 0.00 C ATOM 860 O GLU A 56 9.665 -1.372 -2.866 1.00 0.00 O ATOM 861 CB GLU A 56 12.665 -0.455 -4.125 1.00 0.00 C ATOM 862 CG GLU A 56 12.519 0.873 -3.369 1.00 0.00 C ATOM 863 CD GLU A 56 11.083 1.386 -3.486 1.00 0.00 C ATOM 864 OE1 GLU A 56 10.677 1.718 -4.588 1.00 0.00 O ATOM 865 OE2 GLU A 56 10.410 1.440 -2.469 1.00 0.00 O ATOM 0 H GLU A 56 13.315 -2.849 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 56 12.121 -1.373 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.719 -0.674 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.194 -0.380 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.780 0.734 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.212 1.610 -3.775 1.00 0.00 H new ATOM 872 N LEU A 57 10.262 -2.105 -4.921 1.00 0.00 N ATOM 873 CA LEU A 57 8.884 -2.232 -5.391 1.00 0.00 C ATOM 874 C LEU A 57 8.106 -3.253 -4.554 1.00 0.00 C ATOM 875 O LEU A 57 6.914 -3.077 -4.312 1.00 0.00 O ATOM 876 CB LEU A 57 8.851 -2.640 -6.871 1.00 0.00 C ATOM 877 CG LEU A 57 9.207 -4.103 -7.180 1.00 0.00 C ATOM 878 CD1 LEU A 57 7.949 -4.973 -7.093 1.00 0.00 C ATOM 879 CD2 LEU A 57 9.788 -4.196 -8.594 1.00 0.00 C ATOM 0 H LEU A 57 10.971 -2.364 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 57 8.407 -1.258 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.852 -2.441 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.539 -1.997 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 57 9.941 -4.455 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.207 -6.009 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.531 -4.909 -6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.213 -4.621 -7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.041 -5.233 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.051 -3.840 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.686 -3.581 -8.660 1.00 0.00 H new ATOM 891 N GLN A 58 8.789 -4.320 -4.112 1.00 0.00 N ATOM 892 CA GLN A 58 8.135 -5.356 -3.301 1.00 0.00 C ATOM 893 C GLN A 58 7.601 -4.771 -1.990 1.00 0.00 C ATOM 894 O GLN A 58 6.509 -5.127 -1.547 1.00 0.00 O ATOM 895 CB GLN A 58 9.109 -6.498 -2.985 1.00 0.00 C ATOM 896 CG GLN A 58 8.358 -7.649 -2.301 1.00 0.00 C ATOM 897 CD GLN A 58 7.368 -8.280 -3.282 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.740 -9.136 -4.085 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.115 -7.903 -3.266 1.00 0.00 N ATOM 0 H GLN A 58 9.778 -4.486 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 58 7.300 -5.747 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.578 -6.852 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.908 -6.138 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.066 -8.400 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.828 -7.278 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.804 -7.194 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.449 -8.318 -3.918 1.00 0.00 H new ATOM 908 N GLU A 59 8.377 -3.867 -1.380 1.00 0.00 N ATOM 909 CA GLU A 59 7.961 -3.235 -0.123 1.00 0.00 C ATOM 910 C GLU A 59 6.696 -2.402 -0.337 1.00 0.00 C ATOM 911 O GLU A 59 5.794 -2.400 0.504 1.00 0.00 O ATOM 912 CB GLU A 59 9.071 -2.329 0.425 1.00 0.00 C ATOM 913 CG GLU A 59 9.925 -3.108 1.430 1.00 0.00 C ATOM 914 CD GLU A 59 9.190 -3.205 2.765 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.319 -2.286 3.559 1.00 0.00 O ATOM 916 OE2 GLU A 59 8.508 -4.195 2.976 1.00 0.00 O ATOM 0 H GLU A 59 9.284 -3.560 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 59 7.758 -4.028 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.694 -1.966 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.635 -1.453 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.135 -4.106 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.885 -2.611 1.568 1.00 0.00 H new ATOM 923 N MET A 60 6.635 -1.707 -1.478 1.00 0.00 N ATOM 924 CA MET A 60 5.469 -0.882 -1.806 1.00 0.00 C ATOM 925 C MET A 60 4.274 -1.774 -2.132 1.00 0.00 C ATOM 926 O MET A 60 3.146 -1.496 -1.723 1.00 0.00 O ATOM 927 CB MET A 60 5.759 0.033 -3.004 1.00 0.00 C ATOM 928 CG MET A 60 7.074 0.787 -2.777 1.00 0.00 C ATOM 929 SD MET A 60 6.895 2.500 -3.336 1.00 0.00 S ATOM 930 CE MET A 60 6.632 3.247 -1.709 1.00 0.00 C ATOM 0 H MET A 60 7.372 -1.699 -2.183 1.00 0.00 H new ATOM 0 HA MET A 60 5.242 -0.261 -0.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.821 -0.558 -3.918 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.942 0.742 -3.138 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.340 0.764 -1.720 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.883 0.299 -3.320 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.496 4.323 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.743 2.814 -1.249 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.498 3.054 -1.076 1.00 0.00 H new ATOM 940 N ILE A 61 4.547 -2.859 -2.862 1.00 0.00 N ATOM 941 CA ILE A 61 3.507 -3.818 -3.240 1.00 0.00 C ATOM 942 C ILE A 61 2.899 -4.451 -1.989 1.00 0.00 C ATOM 943 O ILE A 61 1.681 -4.561 -1.867 1.00 0.00 O ATOM 944 CB ILE A 61 4.095 -4.924 -4.129 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.431 -4.354 -5.516 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.091 -6.075 -4.276 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.180 -3.743 -6.159 1.00 0.00 C ATOM 0 H ILE A 61 5.479 -3.095 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 61 2.734 -3.285 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 61 5.005 -5.303 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.209 -3.596 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.828 -5.143 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.519 -6.853 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.866 -6.489 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.174 -5.702 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.434 -3.343 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.414 -4.511 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.802 -2.940 -5.527 1.00 0.00 H new ATOM 959 N ASP A 62 3.766 -4.868 -1.066 1.00 0.00 N ATOM 960 CA ASP A 62 3.314 -5.494 0.179 1.00 0.00 C ATOM 961 C ASP A 62 2.391 -4.554 0.958 1.00 0.00 C ATOM 962 O ASP A 62 1.410 -4.994 1.563 1.00 0.00 O ATOM 963 CB ASP A 62 4.513 -5.859 1.061 1.00 0.00 C ATOM 964 CG ASP A 62 4.764 -7.362 0.979 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.428 -7.781 0.044 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.289 -8.072 1.851 1.00 0.00 O ATOM 0 H ASP A 62 4.779 -4.785 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 62 2.765 -6.398 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.398 -5.313 0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.321 -5.567 2.093 1.00 0.00 H new ATOM 971 N GLU A 63 2.717 -3.257 0.940 1.00 0.00 N ATOM 972 CA GLU A 63 1.914 -2.260 1.652 1.00 0.00 C ATOM 973 C GLU A 63 0.573 -2.013 0.951 1.00 0.00 C ATOM 974 O GLU A 63 -0.477 -2.007 1.595 1.00 0.00 O ATOM 975 CB GLU A 63 2.673 -0.935 1.759 1.00 0.00 C ATOM 976 CG GLU A 63 3.693 -1.020 2.898 1.00 0.00 C ATOM 977 CD GLU A 63 4.061 0.386 3.360 1.00 0.00 C ATOM 978 OE1 GLU A 63 3.340 0.927 4.183 1.00 0.00 O ATOM 979 OE2 GLU A 63 5.059 0.903 2.884 1.00 0.00 O ATOM 0 H GLU A 63 3.524 -2.877 0.445 1.00 0.00 H new ATOM 0 HA GLU A 63 1.721 -2.655 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.180 -0.717 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.975 -0.118 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.278 -1.590 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.585 -1.549 2.562 1.00 0.00 H new ATOM 986 N VAL A 64 0.616 -1.803 -0.372 1.00 0.00 N ATOM 987 CA VAL A 64 -0.611 -1.547 -1.142 1.00 0.00 C ATOM 988 C VAL A 64 -1.507 -2.794 -1.192 1.00 0.00 C ATOM 989 O VAL A 64 -2.734 -2.684 -1.132 1.00 0.00 O ATOM 990 CB VAL A 64 -0.279 -1.085 -2.573 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.479 -2.181 -3.325 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.575 -0.763 -3.324 1.00 0.00 C ATOM 0 H VAL A 64 1.473 -1.805 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.153 -0.750 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 64 0.347 -0.194 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.706 -1.839 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.408 -2.407 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.136 -3.079 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.337 -0.436 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.201 -1.654 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.110 0.031 -2.803 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.886 -3.976 -1.295 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.644 -5.229 -1.343 1.00 0.00 C ATOM 1004 C ASP A 65 -2.216 -5.540 0.041 1.00 0.00 C ATOM 1005 O ASP A 65 -1.496 -5.962 0.949 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.748 -6.396 -1.797 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.559 -7.406 -2.614 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.720 -7.611 -2.302 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.000 -7.970 -3.536 1.00 0.00 O ATOM 0 H ASP A 65 0.126 -4.089 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.455 -5.110 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.080 -6.016 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.313 -6.888 -0.927 1.00 0.00 H new ATOM 1014 N GLU A 66 -3.522 -5.308 0.190 1.00 0.00 N ATOM 1015 CA GLU A 66 -4.202 -5.547 1.471 1.00 0.00 C ATOM 1016 C GLU A 66 -4.241 -7.039 1.823 1.00 0.00 C ATOM 1017 O GLU A 66 -4.138 -7.409 2.993 1.00 0.00 O ATOM 1018 CB GLU A 66 -5.636 -4.995 1.438 1.00 0.00 C ATOM 1019 CG GLU A 66 -6.399 -5.566 0.235 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.967 -4.422 -0.604 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.989 -3.879 -0.216 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.372 -4.109 -1.622 1.00 0.00 O ATOM 0 H GLU A 66 -4.128 -4.958 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.629 -5.026 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.154 -5.254 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.613 -3.907 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.733 -6.180 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.206 -6.214 0.578 1.00 0.00 H new ATOM 1029 N ASP A 67 -4.386 -7.890 0.802 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.435 -9.342 1.025 1.00 0.00 C ATOM 1031 C ASP A 67 -3.034 -9.956 0.944 1.00 0.00 C ATOM 1032 O ASP A 67 -2.735 -10.929 1.640 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.360 -10.040 0.011 1.00 0.00 C ATOM 1034 CG ASP A 67 -5.190 -9.437 -1.383 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.835 -8.438 -1.660 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.419 -9.983 -2.152 1.00 0.00 O ATOM 0 H ASP A 67 -4.471 -7.606 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.838 -9.497 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.135 -11.106 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.397 -9.942 0.331 1.00 0.00 H new ATOM 1041 N GLY A 68 -2.178 -9.381 0.092 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.812 -9.879 -0.067 1.00 0.00 C ATOM 1043 C GLY A 68 -0.799 -11.187 -0.851 1.00 0.00 C ATOM 1044 O GLY A 68 -0.142 -12.154 -0.458 1.00 0.00 O ATOM 0 H GLY A 68 -2.407 -8.577 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.207 -9.134 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.360 -10.033 0.913 1.00 0.00 H new ATOM 1048 N SER A 69 -1.532 -11.205 -1.964 1.00 0.00 N ATOM 1049 CA SER A 69 -1.604 -12.401 -2.807 1.00 0.00 C ATOM 1050 C SER A 69 -0.445 -12.464 -3.817 1.00 0.00 C ATOM 1051 O SER A 69 -0.367 -13.400 -4.616 1.00 0.00 O ATOM 1052 CB SER A 69 -2.929 -12.429 -3.575 1.00 0.00 C ATOM 1053 OG SER A 69 -3.065 -11.228 -4.327 1.00 0.00 O ATOM 0 H SER A 69 -2.080 -10.414 -2.302 1.00 0.00 H new ATOM 0 HA SER A 69 -1.533 -13.263 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.959 -13.293 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.763 -12.533 -2.880 1.00 0.00 H new ATOM 0 HG SER A 69 -2.879 -11.411 -5.272 1.00 0.00 H new ATOM 1059 N GLY A 70 0.446 -11.461 -3.789 1.00 0.00 N ATOM 1060 CA GLY A 70 1.573 -11.425 -4.721 1.00 0.00 C ATOM 1061 C GLY A 70 1.115 -10.980 -6.112 1.00 0.00 C ATOM 1062 O GLY A 70 1.754 -11.294 -7.118 1.00 0.00 O ATOM 0 H GLY A 70 0.406 -10.676 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.337 -10.742 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.031 -12.412 -4.783 1.00 0.00 H new ATOM 1066 N THR A 71 -0.008 -10.250 -6.154 1.00 0.00 N ATOM 1067 CA THR A 71 -0.564 -9.764 -7.417 1.00 0.00 C ATOM 1068 C THR A 71 -1.211 -8.397 -7.211 1.00 0.00 C ATOM 1069 O THR A 71 -1.885 -8.164 -6.206 1.00 0.00 O ATOM 1070 CB THR A 71 -1.623 -10.739 -7.949 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.742 -10.751 -7.069 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.032 -12.147 -8.035 1.00 0.00 C ATOM 0 H THR A 71 -0.545 -9.985 -5.328 1.00 0.00 H new ATOM 0 HA THR A 71 0.249 -9.684 -8.139 1.00 0.00 H new ATOM 0 HB THR A 71 -1.940 -10.418 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.560 -10.914 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.787 -12.836 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.176 -12.142 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.711 -12.468 -7.044 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.002 -7.495 -8.169 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.577 -6.154 -8.065 1.00 0.00 C ATOM 1082 C VAL A 72 -2.883 -6.063 -8.846 1.00 0.00 C ATOM 1083 O VAL A 72 -2.898 -6.162 -10.075 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.620 -5.085 -8.603 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.025 -3.718 -8.043 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.818 -5.397 -8.179 1.00 0.00 C ATOM 0 H VAL A 72 -0.450 -7.662 -9.010 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.759 -5.973 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.675 -5.075 -9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.347 -2.954 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.044 -3.485 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.973 -3.741 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.487 -4.629 -8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.881 -5.415 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.112 -6.369 -8.576 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.972 -5.836 -8.117 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.286 -5.685 -8.742 1.00 0.00 C ATOM 1098 C ASP A 73 -5.411 -4.256 -9.264 1.00 0.00 C ATOM 1099 O ASP A 73 -4.584 -3.408 -8.938 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.399 -5.956 -7.727 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.333 -7.411 -7.272 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.888 -8.252 -7.960 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.728 -7.663 -6.242 1.00 0.00 O ATOM 0 H ASP A 73 -3.973 -5.753 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.383 -6.400 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.293 -5.291 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.371 -5.748 -8.174 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.432 -3.984 -10.080 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.599 -2.633 -10.623 1.00 0.00 C ATOM 1110 C PHE A 74 -6.736 -1.600 -9.500 1.00 0.00 C ATOM 1111 O PHE A 74 -6.175 -0.506 -9.590 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.812 -2.538 -11.552 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.710 -1.265 -12.356 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.532 -0.979 -13.056 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.781 -0.369 -12.393 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.428 0.204 -13.792 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.676 0.815 -13.130 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.499 1.101 -13.828 1.00 0.00 C ATOM 0 H PHE A 74 -7.138 -4.659 -10.373 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.702 -2.416 -11.203 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.848 -3.402 -12.216 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.734 -2.544 -10.971 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.704 -1.672 -13.027 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.690 -0.590 -11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.520 0.425 -14.333 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.504 1.508 -13.160 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.417 2.016 -14.396 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.467 -1.957 -8.437 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.639 -1.042 -7.302 1.00 0.00 C ATOM 1130 C ASP A 75 -6.295 -0.815 -6.595 1.00 0.00 C ATOM 1131 O ASP A 75 -6.002 0.290 -6.134 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.667 -1.593 -6.299 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.119 -2.835 -5.592 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.154 -3.898 -6.190 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -7.677 -2.705 -4.461 1.00 0.00 O ATOM 0 H ASP A 75 -7.941 -2.855 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.008 -0.092 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.911 -0.827 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.592 -1.842 -6.819 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.472 -1.872 -6.540 1.00 0.00 N ATOM 1141 CA GLU A 76 -4.149 -1.782 -5.914 1.00 0.00 C ATOM 1142 C GLU A 76 -3.150 -1.125 -6.879 1.00 0.00 C ATOM 1143 O GLU A 76 -2.128 -0.584 -6.458 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.629 -3.177 -5.541 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.675 -3.927 -4.696 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.198 -5.353 -4.376 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.198 -5.781 -4.936 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.851 -6.003 -3.575 1.00 0.00 O ATOM 0 H GLU A 76 -5.698 -2.792 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.245 -1.179 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.407 -3.744 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.697 -3.088 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.858 -3.383 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.622 -3.968 -5.234 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.467 -1.191 -8.180 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.616 -0.620 -9.224 1.00 0.00 C ATOM 1157 C PHE A 77 -2.615 0.909 -9.147 1.00 0.00 C ATOM 1158 O PHE A 77 -1.559 1.537 -9.063 1.00 0.00 O ATOM 1159 CB PHE A 77 -3.143 -1.049 -10.602 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.029 -1.203 -11.616 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.685 -1.350 -11.223 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.360 -1.207 -12.973 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.310 -1.497 -12.196 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.364 -1.356 -13.938 1.00 0.00 C ATOM 1165 CZ PHE A 77 -0.030 -1.499 -13.553 1.00 0.00 C ATOM 0 H PHE A 77 -4.313 -1.638 -8.532 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.599 -0.982 -9.078 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.679 -1.993 -10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.860 -0.311 -10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.423 -1.349 -10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.390 -1.094 -13.276 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.342 -1.609 -11.899 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.626 -1.361 -14.986 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.739 -1.611 -14.302 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.819 1.493 -9.182 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.970 2.950 -9.120 1.00 0.00 C ATOM 1177 C LEU A 78 -3.454 3.495 -7.788 1.00 0.00 C ATOM 1178 O LEU A 78 -2.838 4.563 -7.740 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.443 3.341 -9.291 1.00 0.00 C ATOM 1180 CG LEU A 78 -6.172 2.668 -10.464 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -7.473 3.415 -10.760 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -5.277 2.688 -11.708 1.00 0.00 C ATOM 0 H LEU A 78 -4.698 0.981 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.383 3.382 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.974 3.101 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.502 4.422 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.400 1.636 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.987 2.935 -11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.113 3.395 -9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.248 4.449 -11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.797 2.210 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.044 3.720 -11.972 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.353 2.149 -11.500 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.698 2.743 -6.707 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.239 3.153 -5.377 1.00 0.00 C ATOM 1196 C VAL A 79 -1.706 3.181 -5.343 1.00 0.00 C ATOM 1197 O VAL A 79 -1.102 4.150 -4.895 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.772 2.185 -4.306 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.816 2.134 -3.112 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.147 2.661 -3.832 1.00 0.00 C ATOM 0 H VAL A 79 -4.205 1.858 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.620 4.152 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.852 1.188 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.206 1.445 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.836 1.791 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.724 3.129 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.527 1.977 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.059 3.661 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.835 2.684 -4.677 1.00 0.00 H new ATOM 1210 N MET A 80 -1.094 2.094 -5.822 1.00 0.00 N ATOM 1211 CA MET A 80 0.370 1.977 -5.857 1.00 0.00 C ATOM 1212 C MET A 80 1.034 3.240 -6.430 1.00 0.00 C ATOM 1213 O MET A 80 2.169 3.561 -6.074 1.00 0.00 O ATOM 1214 CB MET A 80 0.790 0.773 -6.707 1.00 0.00 C ATOM 1215 CG MET A 80 1.782 -0.088 -5.924 1.00 0.00 C ATOM 1216 SD MET A 80 3.472 0.432 -6.314 1.00 0.00 S ATOM 1217 CE MET A 80 3.702 -0.617 -7.771 1.00 0.00 C ATOM 0 H MET A 80 -1.588 1.282 -6.191 1.00 0.00 H new ATOM 0 HA MET A 80 0.701 1.845 -4.827 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.086 0.182 -6.977 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.244 1.113 -7.638 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.598 0.009 -4.854 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.646 -1.139 -6.177 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.605 -1.215 -7.650 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.842 -1.277 -7.884 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.798 0.009 -8.658 1.00 0.00 H new ATOM 1227 N MET A 81 0.320 3.955 -7.312 1.00 0.00 N ATOM 1228 CA MET A 81 0.861 5.178 -7.909 1.00 0.00 C ATOM 1229 C MET A 81 1.103 6.231 -6.828 1.00 0.00 C ATOM 1230 O MET A 81 2.220 6.724 -6.667 1.00 0.00 O ATOM 1231 CB MET A 81 -0.109 5.743 -8.951 1.00 0.00 C ATOM 1232 CG MET A 81 0.615 6.771 -9.825 1.00 0.00 C ATOM 1233 SD MET A 81 -0.365 8.292 -9.908 1.00 0.00 S ATOM 1234 CE MET A 81 -1.854 7.568 -10.635 1.00 0.00 C ATOM 0 H MET A 81 -0.620 3.710 -7.622 1.00 0.00 H new ATOM 0 HA MET A 81 1.805 4.929 -8.395 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.502 4.937 -9.571 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.961 6.208 -8.455 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.602 6.984 -9.413 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.768 6.369 -10.827 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.730 7.901 -10.078 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.942 7.885 -11.674 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.789 6.481 -10.591 1.00 0.00 H new ATOM 1244 N VAL A 82 0.043 6.556 -6.079 1.00 0.00 N ATOM 1245 CA VAL A 82 0.148 7.541 -4.996 1.00 0.00 C ATOM 1246 C VAL A 82 1.058 7.014 -3.883 1.00 0.00 C ATOM 1247 O VAL A 82 1.703 7.788 -3.181 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.229 7.875 -4.408 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.072 8.598 -5.457 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -1.943 6.589 -3.982 1.00 0.00 C ATOM 0 H VAL A 82 -0.888 6.157 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 82 0.575 8.450 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.097 8.517 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.050 8.835 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.572 9.520 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.197 7.956 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.920 6.836 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.071 5.940 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.347 6.074 -3.228 1.00 0.00 H new ATOM 1260 N ARG A 83 1.107 5.684 -3.741 1.00 0.00 N ATOM 1261 CA ARG A 83 1.955 5.055 -2.727 1.00 0.00 C ATOM 1262 C ARG A 83 3.429 5.353 -3.014 1.00 0.00 C ATOM 1263 O ARG A 83 4.215 5.607 -2.099 1.00 0.00 O ATOM 1264 CB ARG A 83 1.757 3.535 -2.721 1.00 0.00 C ATOM 1265 CG ARG A 83 0.391 3.187 -2.123 1.00 0.00 C ATOM 1266 CD ARG A 83 0.583 2.607 -0.719 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.704 2.440 -0.040 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.780 2.030 1.234 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.308 1.768 1.921 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.952 1.893 1.800 1.00 0.00 N ATOM 0 H ARG A 83 0.573 5.029 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 83 1.673 5.462 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.828 3.147 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.549 3.059 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.236 4.077 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.124 2.467 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.091 1.645 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.224 3.266 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.564 2.641 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.224 1.876 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.237 1.457 2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.800 2.098 1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.017 1.581 2.769 1.00 0.00 H new ATOM 1284 N CYS A 84 3.784 5.321 -4.303 1.00 0.00 N ATOM 1285 CA CYS A 84 5.161 5.592 -4.726 1.00 0.00 C ATOM 1286 C CYS A 84 5.453 7.093 -4.688 1.00 0.00 C ATOM 1287 O CYS A 84 6.515 7.518 -4.232 1.00 0.00 O ATOM 1288 CB CYS A 84 5.397 5.076 -6.150 1.00 0.00 C ATOM 1289 SG CYS A 84 5.429 3.266 -6.144 1.00 0.00 S ATOM 0 H CYS A 84 3.141 5.111 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 84 5.828 5.076 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.608 5.433 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.339 5.465 -6.537 1.00 0.00 H new ATOM 0 HG CYS A 84 6.263 2.850 -5.238 1.00 0.00 H new ATOM 1295 N MET A 85 4.493 7.891 -5.173 1.00 0.00 N ATOM 1296 CA MET A 85 4.644 9.349 -5.194 1.00 0.00 C ATOM 1297 C MET A 85 4.692 9.907 -3.770 1.00 0.00 C ATOM 1298 O MET A 85 5.502 10.781 -3.460 1.00 0.00 O ATOM 1299 CB MET A 85 3.471 9.995 -5.939 1.00 0.00 C ATOM 1300 CG MET A 85 3.932 11.289 -6.612 1.00 0.00 C ATOM 1301 SD MET A 85 3.833 12.658 -5.431 1.00 0.00 S ATOM 1302 CE MET A 85 5.547 13.220 -5.589 1.00 0.00 C ATOM 0 H MET A 85 3.609 7.553 -5.554 1.00 0.00 H new ATOM 0 HA MET A 85 5.578 9.581 -5.706 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.079 9.305 -6.687 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.659 10.206 -5.243 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.955 11.179 -6.971 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.310 11.500 -7.482 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.711 14.075 -4.934 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.222 12.412 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.741 13.511 -6.621 1.00 0.00 H new ATOM 1312 N LYS A 86 3.797 9.386 -2.920 1.00 0.00 N ATOM 1313 CA LYS A 86 3.695 9.811 -1.520 1.00 0.00 C ATOM 1314 C LYS A 86 2.968 11.150 -1.426 1.00 0.00 C ATOM 1315 O LYS A 86 3.463 12.178 -1.893 1.00 0.00 O ATOM 1316 CB LYS A 86 5.078 9.933 -0.863 1.00 0.00 C ATOM 1317 CG LYS A 86 4.924 9.932 0.663 1.00 0.00 C ATOM 1318 CD LYS A 86 4.611 8.514 1.152 1.00 0.00 C ATOM 1319 CE LYS A 86 5.903 7.824 1.597 1.00 0.00 C ATOM 1320 NZ LYS A 86 5.633 6.976 2.794 1.00 0.00 N ATOM 0 H LYS A 86 3.128 8.662 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 86 3.129 9.047 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.714 9.105 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.567 10.851 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.840 10.294 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.125 10.613 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.904 8.553 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.137 7.941 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.297 7.211 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.663 8.570 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.512 6.509 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.276 7.572 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.922 6.255 2.556 1.00 0.00 H new ATOM 1334 N ASP A 87 1.782 11.119 -0.813 1.00 0.00 N ATOM 1335 CA ASP A 87 0.975 12.331 -0.652 1.00 0.00 C ATOM 1336 C ASP A 87 1.151 12.912 0.758 1.00 0.00 C ATOM 1337 O ASP A 87 0.203 13.430 1.356 1.00 0.00 O ATOM 1338 CB ASP A 87 -0.507 12.013 -0.901 1.00 0.00 C ATOM 1339 CG ASP A 87 -0.763 11.889 -2.402 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -0.397 10.867 -2.965 1.00 0.00 O ATOM 1341 OD2 ASP A 87 -1.322 12.813 -2.967 1.00 0.00 O ATOM 0 H ASP A 87 1.362 10.275 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 87 1.312 13.069 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.779 11.085 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.133 12.799 -0.479 1.00 0.00 H new ATOM 1346 N ASP A 88 2.381 12.824 1.280 1.00 0.00 N ATOM 1347 CA ASP A 88 2.684 13.341 2.616 1.00 0.00 C ATOM 1348 C ASP A 88 4.202 13.401 2.832 1.00 0.00 C ATOM 1349 O ASP A 88 4.737 12.837 3.790 1.00 0.00 O ATOM 1350 CB ASP A 88 2.048 12.447 3.689 1.00 0.00 C ATOM 1351 CG ASP A 88 1.765 13.268 4.945 1.00 0.00 C ATOM 1352 OD1 ASP A 88 0.758 13.956 4.966 1.00 0.00 O ATOM 1353 OD2 ASP A 88 2.561 13.196 5.868 1.00 0.00 O ATOM 0 H ASP A 88 3.176 12.402 0.800 1.00 0.00 H new ATOM 0 HA ASP A 88 2.271 14.347 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.122 12.012 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.715 11.619 3.928 1.00 0.00 H new ATOM 1358 N SER A 89 4.891 14.095 1.922 1.00 0.00 N ATOM 1359 CA SER A 89 6.348 14.229 2.008 1.00 0.00 C ATOM 1360 C SER A 89 6.737 15.246 3.084 1.00 0.00 C ATOM 1361 O SER A 89 6.201 16.344 3.065 1.00 0.00 O ATOM 1362 CB SER A 89 6.934 14.670 0.661 1.00 0.00 C ATOM 1363 OG SER A 89 6.195 15.779 0.160 1.00 0.00 O ATOM 1364 OXT SER A 89 7.565 14.909 3.915 1.00 0.00 O ATOM 0 H SER A 89 4.468 14.569 1.124 1.00 0.00 H new ATOM 0 HA SER A 89 6.754 13.253 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.983 14.943 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.898 13.845 -0.050 1.00 0.00 H new ATOM 0 HG SER A 89 5.943 16.366 0.903 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.683 -8.465 -4.342 1.00 0.00 CA