USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 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 -148:sc= -0.359 (180deg=-0.0102) USER MOD Set 1.2: A 80 MET CE :methyl -144:sc= -1.68 (180deg=-2.03!) USER MOD Set 2.1: A 35 CYS SG : rot 14:sc= 0.201 USER MOD Set 2.2: A 69 SER OG : rot -91:sc= 1.22 USER MOD Set 2.3: A 71 THR OG1 : rot -51:sc= 0.485 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.246 K(o=0.54,f=-0.56) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -105:sc= 0.297 (180deg=0) 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= -0.0906 X(o=-0.091,f=-0.13) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 16 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 17 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 140:sc= -0.0019 USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.346 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 -163:sc= -0.0871 (180deg=-0.539) USER MOD Single : A 50 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.64) USER MOD Single : A 51 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.645 USER MOD Single : A 58 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.21) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 155:sc= -0.807 (180deg=-2.48) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.000453) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.670 0.673 8.246 1.00 0.00 N ATOM 2 CA MET A 1 -9.612 1.419 7.358 1.00 0.00 C ATOM 3 C MET A 1 -8.879 1.870 6.093 1.00 0.00 C ATOM 4 O MET A 1 -9.181 1.404 4.992 1.00 0.00 O ATOM 5 CB MET A 1 -10.161 2.642 8.103 1.00 0.00 C ATOM 6 CG MET A 1 -11.505 2.291 8.747 1.00 0.00 C ATOM 7 SD MET A 1 -11.754 3.312 10.221 1.00 0.00 S ATOM 8 CE MET A 1 -12.743 4.612 9.440 1.00 0.00 C ATOM 0 H1 MET A 1 -9.171 0.368 9.105 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.305 -0.161 7.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.877 1.292 8.509 1.00 0.00 H new ATOM 0 HA MET A 1 -10.439 0.766 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.453 2.963 8.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.284 3.476 7.412 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.315 2.456 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.527 1.235 9.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.011 5.362 10.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.164 5.081 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.650 4.177 9.020 1.00 0.00 H new ATOM 20 N ASN A 2 -7.911 2.782 6.266 1.00 0.00 N ATOM 21 CA ASN A 2 -7.127 3.302 5.139 1.00 0.00 C ATOM 22 C ASN A 2 -8.048 3.872 4.056 1.00 0.00 C ATOM 23 O ASN A 2 -7.982 3.484 2.885 1.00 0.00 O ATOM 24 CB ASN A 2 -6.239 2.197 4.544 1.00 0.00 C ATOM 25 CG ASN A 2 -4.879 2.201 5.238 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.840 2.191 4.577 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.817 2.211 6.545 1.00 0.00 N ATOM 0 H ASN A 2 -7.654 3.173 7.172 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.489 4.103 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.718 1.226 4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.112 2.356 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.910 2.211 7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.675 2.219 7.096 1.00 0.00 H new ATOM 34 N ASP A 3 -8.910 4.801 4.469 1.00 0.00 N ATOM 35 CA ASP A 3 -9.854 5.432 3.543 1.00 0.00 C ATOM 36 C ASP A 3 -9.242 6.671 2.876 1.00 0.00 C ATOM 37 O ASP A 3 -9.751 7.146 1.859 1.00 0.00 O ATOM 38 CB ASP A 3 -11.135 5.839 4.278 1.00 0.00 C ATOM 39 CG ASP A 3 -11.911 4.590 4.688 1.00 0.00 C ATOM 40 OD1 ASP A 3 -12.458 3.939 3.812 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.945 4.301 5.873 1.00 0.00 O ATOM 0 H ASP A 3 -8.975 5.132 5.431 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.090 4.700 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.888 6.431 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.751 6.467 3.635 1.00 0.00 H new ATOM 46 N ILE A 4 -8.148 7.192 3.452 1.00 0.00 N ATOM 47 CA ILE A 4 -7.486 8.380 2.889 1.00 0.00 C ATOM 48 C ILE A 4 -7.044 8.129 1.441 1.00 0.00 C ATOM 49 O ILE A 4 -7.062 9.040 0.611 1.00 0.00 O ATOM 50 CB ILE A 4 -6.270 8.819 3.734 1.00 0.00 C ATOM 51 CG1 ILE A 4 -5.109 7.801 3.619 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.683 8.978 5.203 1.00 0.00 C ATOM 53 CD1 ILE A 4 -5.398 6.531 4.430 1.00 0.00 C ATOM 0 H ILE A 4 -7.708 6.818 4.293 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.220 9.186 2.905 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.919 9.777 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.955 7.539 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.185 8.259 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.820 9.288 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.466 9.733 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.058 8.027 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.564 5.837 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.527 6.792 5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.309 6.061 4.058 1.00 0.00 H new ATOM 65 N TYR A 5 -6.660 6.882 1.148 1.00 0.00 N ATOM 66 CA TYR A 5 -6.228 6.514 -0.204 1.00 0.00 C ATOM 67 C TYR A 5 -7.422 6.468 -1.161 1.00 0.00 C ATOM 68 O TYR A 5 -7.289 6.775 -2.348 1.00 0.00 O ATOM 69 CB TYR A 5 -5.538 5.147 -0.199 1.00 0.00 C ATOM 70 CG TYR A 5 -4.281 5.219 0.636 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.127 5.821 0.118 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.271 4.686 1.930 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.964 5.886 0.893 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.109 4.751 2.705 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.955 5.352 2.187 1.00 0.00 C ATOM 76 OH TYR A 5 -0.808 5.412 2.951 1.00 0.00 O ATOM 0 H TYR A 5 -6.639 6.117 1.822 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.523 7.273 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.211 4.390 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.293 4.848 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.135 6.235 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.161 4.224 2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.073 6.348 0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.101 4.338 3.703 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.974 4.997 3.823 1.00 0.00 H new ATOM 86 N LYS A 6 -8.594 6.090 -0.631 1.00 0.00 N ATOM 87 CA LYS A 6 -9.814 6.019 -1.444 1.00 0.00 C ATOM 88 C LYS A 6 -10.153 7.397 -2.021 1.00 0.00 C ATOM 89 O LYS A 6 -10.660 7.506 -3.137 1.00 0.00 O ATOM 90 CB LYS A 6 -10.998 5.517 -0.608 1.00 0.00 C ATOM 91 CG LYS A 6 -11.108 3.994 -0.732 1.00 0.00 C ATOM 92 CD LYS A 6 -10.205 3.325 0.310 1.00 0.00 C ATOM 93 CE LYS A 6 -10.095 1.827 0.009 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.047 1.070 0.873 1.00 0.00 N ATOM 0 H LYS A 6 -8.722 5.831 0.347 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.631 5.319 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.863 5.798 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.921 5.987 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.142 3.681 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.818 3.679 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.216 3.783 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.612 3.476 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.315 1.640 -1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.076 1.484 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.970 0.054 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.817 1.238 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.018 1.390 0.682 1.00 0.00 H new ATOM 108 N ALA A 7 -9.858 8.451 -1.251 1.00 0.00 N ATOM 109 CA ALA A 7 -10.122 9.817 -1.703 1.00 0.00 C ATOM 110 C ALA A 7 -9.185 10.199 -2.853 1.00 0.00 C ATOM 111 O ALA A 7 -9.559 10.974 -3.732 1.00 0.00 O ATOM 112 CB ALA A 7 -9.927 10.810 -0.555 1.00 0.00 C ATOM 0 H ALA A 7 -9.441 8.384 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.155 9.857 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.128 11.821 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.613 10.567 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.901 10.750 -0.192 1.00 0.00 H new ATOM 118 N ALA A 8 -7.964 9.639 -2.841 1.00 0.00 N ATOM 119 CA ALA A 8 -6.983 9.926 -3.890 1.00 0.00 C ATOM 120 C ALA A 8 -7.421 9.309 -5.213 1.00 0.00 C ATOM 121 O ALA A 8 -7.386 9.963 -6.256 1.00 0.00 O ATOM 122 CB ALA A 8 -5.610 9.367 -3.512 1.00 0.00 C ATOM 0 H ALA A 8 -7.639 8.992 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.916 11.009 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.895 9.591 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.275 9.824 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.680 8.287 -3.381 1.00 0.00 H new ATOM 128 N VAL A 9 -7.845 8.043 -5.156 1.00 0.00 N ATOM 129 CA VAL A 9 -8.305 7.345 -6.354 1.00 0.00 C ATOM 130 C VAL A 9 -9.631 7.947 -6.844 1.00 0.00 C ATOM 131 O VAL A 9 -9.948 7.895 -8.033 1.00 0.00 O ATOM 132 CB VAL A 9 -8.470 5.845 -6.060 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.695 5.603 -5.173 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.628 5.073 -7.374 1.00 0.00 C ATOM 0 H VAL A 9 -7.878 7.488 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.560 7.465 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.581 5.494 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.796 4.536 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.573 6.137 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.589 5.964 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.745 4.011 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.508 5.435 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.744 5.224 -7.993 1.00 0.00 H new ATOM 144 N GLU A 10 -10.392 8.529 -5.911 1.00 0.00 N ATOM 145 CA GLU A 10 -11.669 9.156 -6.248 1.00 0.00 C ATOM 146 C GLU A 10 -11.470 10.585 -6.780 1.00 0.00 C ATOM 147 O GLU A 10 -12.374 11.148 -7.399 1.00 0.00 O ATOM 148 CB GLU A 10 -12.581 9.209 -5.016 1.00 0.00 C ATOM 149 CG GLU A 10 -13.393 7.914 -4.920 1.00 0.00 C ATOM 150 CD GLU A 10 -13.952 7.762 -3.507 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.860 8.504 -3.165 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.466 6.904 -2.788 1.00 0.00 O ATOM 0 H GLU A 10 -10.145 8.578 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.131 8.550 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.983 9.343 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.251 10.066 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.207 7.929 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.763 7.059 -5.167 1.00 0.00 H new ATOM 159 N GLN A 11 -10.289 11.177 -6.521 1.00 0.00 N ATOM 160 CA GLN A 11 -10.018 12.548 -6.973 1.00 0.00 C ATOM 161 C GLN A 11 -8.834 12.623 -7.955 1.00 0.00 C ATOM 162 O GLN A 11 -8.322 13.711 -8.230 1.00 0.00 O ATOM 163 CB GLN A 11 -9.742 13.460 -5.763 1.00 0.00 C ATOM 164 CG GLN A 11 -8.305 13.262 -5.256 1.00 0.00 C ATOM 165 CD GLN A 11 -8.222 13.571 -3.758 1.00 0.00 C ATOM 166 OE1 GLN A 11 -7.445 12.946 -3.036 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.975 14.505 -3.239 1.00 0.00 N ATOM 0 H GLN A 11 -9.523 10.736 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.907 12.889 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.894 14.502 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.450 13.238 -4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.985 12.237 -5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.625 13.912 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.621 15.027 -3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.916 14.712 -2.242 1.00 0.00 H new ATOM 176 N LEU A 12 -8.408 11.473 -8.492 1.00 0.00 N ATOM 177 CA LEU A 12 -7.290 11.461 -9.446 1.00 0.00 C ATOM 178 C LEU A 12 -7.780 11.825 -10.851 1.00 0.00 C ATOM 179 O LEU A 12 -8.977 12.018 -11.077 1.00 0.00 O ATOM 180 CB LEU A 12 -6.597 10.088 -9.488 1.00 0.00 C ATOM 181 CG LEU A 12 -7.512 8.860 -9.407 1.00 0.00 C ATOM 182 CD1 LEU A 12 -8.583 8.927 -10.500 1.00 0.00 C ATOM 183 CD2 LEU A 12 -6.674 7.592 -9.594 1.00 0.00 C ATOM 0 H LEU A 12 -8.809 10.557 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.567 12.203 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.021 10.024 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.886 10.039 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.000 8.842 -8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.227 8.050 -10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.182 9.828 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.103 8.951 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.321 6.717 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.185 7.619 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.918 7.536 -8.810 1.00 0.00 H new ATOM 195 N THR A 13 -6.838 11.917 -11.793 1.00 0.00 N ATOM 196 CA THR A 13 -7.178 12.259 -13.175 1.00 0.00 C ATOM 197 C THR A 13 -7.398 10.997 -14.004 1.00 0.00 C ATOM 198 O THR A 13 -7.016 9.894 -13.603 1.00 0.00 O ATOM 199 CB THR A 13 -6.060 13.085 -13.834 1.00 0.00 C ATOM 200 OG1 THR A 13 -4.826 12.859 -13.160 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.412 14.572 -13.774 1.00 0.00 C ATOM 0 H THR A 13 -5.844 11.761 -11.626 1.00 0.00 H new ATOM 0 HA THR A 13 -8.095 12.848 -13.144 1.00 0.00 H new ATOM 0 HB THR A 13 -5.960 12.779 -14.875 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.119 13.387 -13.586 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.617 15.153 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.349 14.746 -14.304 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.521 14.878 -12.734 1.00 0.00 H new ATOM 209 N ASP A 14 -8.001 11.180 -15.180 1.00 0.00 N ATOM 210 CA ASP A 14 -8.251 10.060 -16.087 1.00 0.00 C ATOM 211 C ASP A 14 -6.933 9.589 -16.700 1.00 0.00 C ATOM 212 O ASP A 14 -6.764 8.408 -17.007 1.00 0.00 O ATOM 213 CB ASP A 14 -9.202 10.477 -17.213 1.00 0.00 C ATOM 214 CG ASP A 14 -10.586 10.762 -16.636 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.314 9.812 -16.396 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.897 11.925 -16.443 1.00 0.00 O ATOM 0 H ASP A 14 -8.323 12.085 -15.524 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.708 9.252 -15.515 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.818 11.364 -17.717 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.265 9.687 -17.961 1.00 0.00 H new ATOM 221 N GLU A 15 -5.997 10.533 -16.857 1.00 0.00 N ATOM 222 CA GLU A 15 -4.681 10.224 -17.419 1.00 0.00 C ATOM 223 C GLU A 15 -3.910 9.266 -16.503 1.00 0.00 C ATOM 224 O GLU A 15 -3.139 8.430 -16.974 1.00 0.00 O ATOM 225 CB GLU A 15 -3.871 11.513 -17.615 1.00 0.00 C ATOM 226 CG GLU A 15 -3.452 12.091 -16.257 1.00 0.00 C ATOM 227 CD GLU A 15 -3.192 13.589 -16.393 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.091 13.946 -16.783 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.096 14.356 -16.104 1.00 0.00 O ATOM 0 H GLU A 15 -6.128 11.512 -16.603 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.830 9.742 -18.385 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.987 11.307 -18.218 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.466 12.245 -18.161 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.234 11.913 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.554 11.588 -15.898 1.00 0.00 H new ATOM 236 N GLN A 16 -4.142 9.394 -15.191 1.00 0.00 N ATOM 237 CA GLN A 16 -3.483 8.532 -14.209 1.00 0.00 C ATOM 238 C GLN A 16 -4.032 7.112 -14.308 1.00 0.00 C ATOM 239 O GLN A 16 -3.277 6.138 -14.292 1.00 0.00 O ATOM 240 CB GLN A 16 -3.721 9.058 -12.791 1.00 0.00 C ATOM 241 CG GLN A 16 -2.503 9.856 -12.322 1.00 0.00 C ATOM 242 CD GLN A 16 -2.861 10.642 -11.063 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.594 11.841 -10.976 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.457 10.035 -10.072 1.00 0.00 N ATOM 0 H GLN A 16 -4.778 10.083 -14.789 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.414 8.530 -14.420 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.610 9.689 -12.772 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.906 8.226 -12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.671 9.182 -12.118 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.177 10.537 -13.108 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.679 9.042 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.700 10.554 -9.228 1.00 0.00 H new ATOM 253 N LYS A 17 -5.361 7.013 -14.421 1.00 0.00 N ATOM 254 CA LYS A 17 -6.020 5.712 -14.535 1.00 0.00 C ATOM 255 C LYS A 17 -5.576 5.010 -15.817 1.00 0.00 C ATOM 256 O LYS A 17 -5.267 3.821 -15.808 1.00 0.00 O ATOM 257 CB LYS A 17 -7.545 5.873 -14.562 1.00 0.00 C ATOM 258 CG LYS A 17 -8.030 6.482 -13.241 1.00 0.00 C ATOM 259 CD LYS A 17 -9.365 7.199 -13.465 1.00 0.00 C ATOM 260 CE LYS A 17 -10.494 6.169 -13.571 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.780 6.863 -13.868 1.00 0.00 N ATOM 0 H LYS A 17 -5.995 7.812 -14.436 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.738 5.116 -13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.837 6.512 -15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.019 4.904 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.147 5.701 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.289 7.184 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.562 7.886 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.319 7.797 -14.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.269 5.448 -14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.578 5.610 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.545 6.162 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.997 7.535 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.697 7.377 -14.768 1.00 0.00 H new ATOM 275 N ASN A 18 -5.540 5.767 -16.919 1.00 0.00 N ATOM 276 CA ASN A 18 -5.125 5.211 -18.213 1.00 0.00 C ATOM 277 C ASN A 18 -3.642 4.836 -18.198 1.00 0.00 C ATOM 278 O ASN A 18 -3.235 3.861 -18.832 1.00 0.00 O ATOM 279 CB ASN A 18 -5.372 6.220 -19.339 1.00 0.00 C ATOM 280 CG ASN A 18 -6.866 6.290 -19.651 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.500 5.267 -19.913 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.471 7.447 -19.639 1.00 0.00 N ATOM 0 H ASN A 18 -5.790 6.756 -16.943 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.720 4.315 -18.390 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.006 7.204 -19.045 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.818 5.927 -20.231 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.468 7.503 -19.846 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.947 8.295 -19.422 1.00 0.00 H new ATOM 289 N GLU A 19 -2.842 5.620 -17.466 1.00 0.00 N ATOM 290 CA GLU A 19 -1.402 5.369 -17.365 1.00 0.00 C ATOM 291 C GLU A 19 -1.133 3.942 -16.878 1.00 0.00 C ATOM 292 O GLU A 19 -0.356 3.203 -17.485 1.00 0.00 O ATOM 293 CB GLU A 19 -0.756 6.361 -16.391 1.00 0.00 C ATOM 294 CG GLU A 19 0.765 6.296 -16.521 1.00 0.00 C ATOM 295 CD GLU A 19 1.369 7.645 -16.142 1.00 0.00 C ATOM 296 OE1 GLU A 19 1.598 7.859 -14.961 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.594 8.444 -17.036 1.00 0.00 O ATOM 0 H GLU A 19 -3.167 6.430 -16.938 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.969 5.496 -18.357 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.106 7.372 -16.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.053 6.127 -15.369 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.162 5.514 -15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.042 6.036 -17.543 1.00 0.00 H new ATOM 304 N PHE A 20 -1.790 3.567 -15.777 1.00 0.00 N ATOM 305 CA PHE A 20 -1.623 2.228 -15.209 1.00 0.00 C ATOM 306 C PHE A 20 -2.474 1.199 -15.959 1.00 0.00 C ATOM 307 O PHE A 20 -2.016 0.092 -16.234 1.00 0.00 O ATOM 308 CB PHE A 20 -2.040 2.212 -13.738 1.00 0.00 C ATOM 309 CG PHE A 20 -0.919 2.733 -12.870 1.00 0.00 C ATOM 310 CD1 PHE A 20 0.054 1.854 -12.372 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.864 4.093 -12.544 1.00 0.00 C ATOM 312 CE1 PHE A 20 1.078 2.335 -11.552 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.164 4.575 -11.726 1.00 0.00 C ATOM 314 CZ PHE A 20 1.135 3.696 -11.229 1.00 0.00 C ATOM 0 H PHE A 20 -2.437 4.167 -15.265 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.569 1.968 -15.303 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.931 2.824 -13.599 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.300 1.197 -13.438 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.012 0.804 -12.623 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.615 4.770 -12.924 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.825 1.657 -11.167 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.209 5.625 -11.478 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.927 4.068 -10.597 1.00 0.00 H new ATOM 324 N LYS A 21 -3.723 1.574 -16.270 1.00 0.00 N ATOM 325 CA LYS A 21 -4.648 0.673 -16.973 1.00 0.00 C ATOM 326 C LYS A 21 -4.027 0.116 -18.257 1.00 0.00 C ATOM 327 O LYS A 21 -4.273 -1.035 -18.620 1.00 0.00 O ATOM 328 CB LYS A 21 -5.952 1.402 -17.312 1.00 0.00 C ATOM 329 CG LYS A 21 -6.961 0.421 -17.921 1.00 0.00 C ATOM 330 CD LYS A 21 -7.053 0.649 -19.432 1.00 0.00 C ATOM 331 CE LYS A 21 -8.269 1.526 -19.747 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.991 2.349 -20.959 1.00 0.00 N ATOM 0 H LYS A 21 -4.114 2.489 -16.048 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.859 -0.161 -16.304 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.370 1.854 -16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.753 2.213 -18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.655 -0.605 -17.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.940 0.559 -17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.143 1.128 -19.794 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.137 -0.307 -19.950 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.147 0.902 -19.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.493 2.173 -18.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.803 3.332 -20.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.161 1.967 -21.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.815 2.323 -21.593 1.00 0.00 H new ATOM 346 N ALA A 22 -3.215 0.936 -18.934 1.00 0.00 N ATOM 347 CA ALA A 22 -2.556 0.501 -20.169 1.00 0.00 C ATOM 348 C ALA A 22 -1.714 -0.745 -19.899 1.00 0.00 C ATOM 349 O ALA A 22 -1.874 -1.775 -20.557 1.00 0.00 O ATOM 350 CB ALA A 22 -1.651 1.609 -20.711 1.00 0.00 C ATOM 0 H ALA A 22 -3.001 1.892 -18.652 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.325 0.273 -20.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.169 1.269 -21.628 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.248 2.496 -20.922 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.890 1.852 -19.970 1.00 0.00 H new ATOM 356 N ALA A 23 -0.831 -0.636 -18.903 1.00 0.00 N ATOM 357 CA ALA A 23 0.026 -1.754 -18.511 1.00 0.00 C ATOM 358 C ALA A 23 -0.819 -2.875 -17.906 1.00 0.00 C ATOM 359 O ALA A 23 -0.537 -4.055 -18.094 1.00 0.00 O ATOM 360 CB ALA A 23 1.063 -1.295 -17.478 1.00 0.00 C ATOM 0 H ALA A 23 -0.692 0.213 -18.356 1.00 0.00 H new ATOM 0 HA ALA A 23 0.540 -2.121 -19.400 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.693 -2.138 -17.196 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.681 -0.507 -17.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.552 -0.913 -16.594 1.00 0.00 H new ATOM 366 N PHE A 24 -1.867 -2.485 -17.177 1.00 0.00 N ATOM 367 CA PHE A 24 -2.759 -3.457 -16.543 1.00 0.00 C ATOM 368 C PHE A 24 -3.418 -4.363 -17.585 1.00 0.00 C ATOM 369 O PHE A 24 -3.556 -5.565 -17.371 1.00 0.00 O ATOM 370 CB PHE A 24 -3.855 -2.736 -15.751 1.00 0.00 C ATOM 371 CG PHE A 24 -4.378 -3.649 -14.666 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.345 -4.614 -14.968 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.892 -3.531 -13.362 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.825 -5.461 -13.964 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.370 -4.377 -12.358 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.336 -5.341 -12.660 1.00 0.00 C ATOM 0 H PHE A 24 -2.117 -1.510 -17.012 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.155 -4.067 -15.871 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.458 -1.821 -15.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.667 -2.443 -16.417 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.721 -4.705 -15.976 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.146 -2.785 -13.130 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.572 -6.206 -14.196 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.994 -4.286 -11.350 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.706 -5.995 -11.884 1.00 0.00 H new ATOM 386 N ASP A 25 -3.832 -3.769 -18.709 1.00 0.00 N ATOM 387 CA ASP A 25 -4.494 -4.527 -19.777 1.00 0.00 C ATOM 388 C ASP A 25 -3.553 -5.557 -20.411 1.00 0.00 C ATOM 389 O ASP A 25 -3.974 -6.668 -20.742 1.00 0.00 O ATOM 390 CB ASP A 25 -4.996 -3.577 -20.872 1.00 0.00 C ATOM 391 CG ASP A 25 -6.431 -3.938 -21.244 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.605 -4.841 -22.046 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.335 -3.308 -20.721 1.00 0.00 O ATOM 0 H ASP A 25 -3.722 -2.774 -18.903 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.333 -5.054 -19.323 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.949 -2.546 -20.523 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.354 -3.646 -21.750 1.00 0.00 H new ATOM 398 N ILE A 26 -2.285 -5.176 -20.591 1.00 0.00 N ATOM 399 CA ILE A 26 -1.302 -6.079 -21.210 1.00 0.00 C ATOM 400 C ILE A 26 -0.802 -7.143 -20.224 1.00 0.00 C ATOM 401 O ILE A 26 -0.578 -8.291 -20.609 1.00 0.00 O ATOM 402 CB ILE A 26 -0.099 -5.296 -21.764 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.511 -4.414 -20.666 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.561 -4.416 -22.928 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.792 -3.747 -21.172 1.00 0.00 C ATOM 0 H ILE A 26 -1.916 -4.264 -20.323 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.815 -6.580 -22.031 1.00 0.00 H new ATOM 0 HB ILE A 26 0.656 -6.001 -22.111 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.207 -3.653 -20.360 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.730 -5.017 -19.785 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.289 -3.860 -23.323 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.981 -5.043 -23.714 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.320 -3.717 -22.577 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.214 -3.124 -20.383 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.514 -4.513 -21.455 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.562 -3.128 -22.039 1.00 0.00 H new ATOM 417 N PHE A 27 -0.621 -6.756 -18.956 1.00 0.00 N ATOM 418 CA PHE A 27 -0.132 -7.701 -17.941 1.00 0.00 C ATOM 419 C PHE A 27 -1.242 -8.652 -17.483 1.00 0.00 C ATOM 420 O PHE A 27 -0.978 -9.819 -17.184 1.00 0.00 O ATOM 421 CB PHE A 27 0.445 -6.958 -16.727 1.00 0.00 C ATOM 422 CG PHE A 27 1.654 -6.154 -17.159 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.640 -6.743 -17.964 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.781 -4.817 -16.768 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.746 -5.995 -18.377 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.890 -4.070 -17.182 1.00 0.00 C ATOM 427 CZ PHE A 27 3.870 -4.659 -17.987 1.00 0.00 C ATOM 0 H PHE A 27 -0.801 -5.813 -18.611 1.00 0.00 H new ATOM 0 HA PHE A 27 0.660 -8.289 -18.405 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.310 -6.299 -16.297 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.726 -7.670 -15.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.544 -7.776 -18.265 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.024 -4.361 -16.147 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.504 -6.449 -18.997 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.989 -3.038 -16.879 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.724 -4.081 -18.308 1.00 0.00 H new ATOM 437 N ILE A 28 -2.485 -8.157 -17.443 1.00 0.00 N ATOM 438 CA ILE A 28 -3.618 -8.992 -17.035 1.00 0.00 C ATOM 439 C ILE A 28 -4.350 -9.528 -18.284 1.00 0.00 C ATOM 440 O ILE A 28 -5.576 -9.633 -18.332 1.00 0.00 O ATOM 441 CB ILE A 28 -4.551 -8.186 -16.099 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.163 -9.123 -15.048 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.665 -7.460 -16.869 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.152 -10.096 -15.695 1.00 0.00 C ATOM 0 H ILE A 28 -2.729 -7.196 -17.685 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.265 -9.857 -16.473 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.947 -7.422 -15.610 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.372 -9.681 -14.548 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.671 -8.536 -14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.292 -6.909 -16.168 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.221 -6.765 -17.582 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.273 -8.190 -17.404 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.572 -10.749 -14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.954 -9.535 -16.174 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.634 -10.698 -16.442 1.00 0.00 H new ATOM 456 N GLN A 29 -3.556 -9.885 -19.297 1.00 0.00 N ATOM 457 CA GLN A 29 -4.098 -10.419 -20.546 1.00 0.00 C ATOM 458 C GLN A 29 -4.444 -11.900 -20.392 1.00 0.00 C ATOM 459 O GLN A 29 -5.559 -12.323 -20.702 1.00 0.00 O ATOM 460 CB GLN A 29 -3.076 -10.258 -21.676 1.00 0.00 C ATOM 461 CG GLN A 29 -3.707 -10.666 -23.009 1.00 0.00 C ATOM 462 CD GLN A 29 -2.742 -10.345 -24.145 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.229 -11.247 -24.805 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.460 -9.098 -24.414 1.00 0.00 N ATOM 0 H GLN A 29 -2.539 -9.814 -19.276 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.003 -9.863 -20.788 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.736 -9.224 -21.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.199 -10.873 -21.475 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.938 -11.731 -23.004 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.648 -10.136 -23.156 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.885 -8.349 -23.867 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.815 -8.873 -25.171 1.00 0.00 H new ATOM 473 N ASP A 30 -3.472 -12.680 -19.912 1.00 0.00 N ATOM 474 CA ASP A 30 -3.674 -14.118 -19.722 1.00 0.00 C ATOM 475 C ASP A 30 -4.049 -14.458 -18.270 1.00 0.00 C ATOM 476 O ASP A 30 -4.253 -15.627 -17.942 1.00 0.00 O ATOM 477 CB ASP A 30 -2.402 -14.884 -20.102 1.00 0.00 C ATOM 478 CG ASP A 30 -2.232 -14.874 -21.620 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.706 -13.898 -22.132 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.628 -15.844 -22.246 1.00 0.00 O ATOM 0 H ASP A 30 -2.545 -12.344 -19.650 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.500 -14.416 -20.368 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.534 -14.427 -19.626 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.461 -15.910 -19.739 1.00 0.00 H new ATOM 485 N ALA A 31 -4.148 -13.436 -17.405 1.00 0.00 N ATOM 486 CA ALA A 31 -4.507 -13.668 -16.006 1.00 0.00 C ATOM 487 C ALA A 31 -6.023 -13.781 -15.860 1.00 0.00 C ATOM 488 O ALA A 31 -6.784 -13.221 -16.652 1.00 0.00 O ATOM 489 CB ALA A 31 -3.999 -12.532 -15.114 1.00 0.00 C ATOM 0 H ALA A 31 -3.987 -12.459 -17.648 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.038 -14.601 -15.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.279 -12.729 -14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.914 -12.467 -15.190 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.442 -11.590 -15.437 1.00 0.00 H new ATOM 495 N GLU A 32 -6.447 -14.518 -14.834 1.00 0.00 N ATOM 496 CA GLU A 32 -7.878 -14.717 -14.580 1.00 0.00 C ATOM 497 C GLU A 32 -8.255 -14.270 -13.162 1.00 0.00 C ATOM 498 O GLU A 32 -9.133 -14.859 -12.525 1.00 0.00 O ATOM 499 CB GLU A 32 -8.245 -16.195 -14.755 1.00 0.00 C ATOM 500 CG GLU A 32 -8.104 -16.589 -16.229 1.00 0.00 C ATOM 501 CD GLU A 32 -7.093 -17.725 -16.361 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.915 -17.432 -16.476 1.00 0.00 O ATOM 503 OE2 GLU A 32 -7.512 -18.871 -16.342 1.00 0.00 O ATOM 0 H GLU A 32 -5.829 -14.984 -14.170 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.431 -14.112 -15.298 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.596 -16.817 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.267 -16.369 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.070 -16.900 -16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.780 -15.730 -16.816 1.00 0.00 H new ATOM 510 N ASP A 33 -7.588 -13.220 -12.674 1.00 0.00 N ATOM 511 CA ASP A 33 -7.866 -12.704 -11.329 1.00 0.00 C ATOM 512 C ASP A 33 -7.930 -11.168 -11.310 1.00 0.00 C ATOM 513 O ASP A 33 -7.960 -10.559 -10.237 1.00 0.00 O ATOM 514 CB ASP A 33 -6.782 -13.171 -10.352 1.00 0.00 C ATOM 515 CG ASP A 33 -7.124 -14.565 -9.836 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.789 -15.525 -10.511 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.716 -14.654 -8.773 1.00 0.00 O ATOM 0 H ASP A 33 -6.861 -12.716 -13.182 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.838 -13.093 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.812 -13.184 -10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.704 -12.473 -9.519 1.00 0.00 H new ATOM 522 N GLY A 34 -7.952 -10.544 -12.500 1.00 0.00 N ATOM 523 CA GLY A 34 -8.010 -9.083 -12.594 1.00 0.00 C ATOM 524 C GLY A 34 -6.881 -8.431 -11.794 1.00 0.00 C ATOM 525 O GLY A 34 -7.098 -7.443 -11.095 1.00 0.00 O ATOM 0 H GLY A 34 -7.931 -11.026 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.940 -8.780 -13.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.972 -8.730 -12.223 1.00 0.00 H new ATOM 529 N CYS A 35 -5.675 -9.005 -11.901 1.00 0.00 N ATOM 530 CA CYS A 35 -4.511 -8.484 -11.182 1.00 0.00 C ATOM 531 C CYS A 35 -3.224 -8.791 -11.946 1.00 0.00 C ATOM 532 O CYS A 35 -3.115 -9.822 -12.614 1.00 0.00 O ATOM 533 CB CYS A 35 -4.404 -9.121 -9.792 1.00 0.00 C ATOM 534 SG CYS A 35 -5.651 -8.418 -8.687 1.00 0.00 S ATOM 0 H CYS A 35 -5.483 -9.826 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.641 -7.406 -11.089 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.540 -10.200 -9.867 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.408 -8.953 -9.382 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.527 -7.758 -9.385 1.00 0.00 H new ATOM 540 N ILE A 36 -2.241 -7.898 -11.817 1.00 0.00 N ATOM 541 CA ILE A 36 -0.947 -8.095 -12.479 1.00 0.00 C ATOM 542 C ILE A 36 -0.018 -8.890 -11.560 1.00 0.00 C ATOM 543 O ILE A 36 -0.376 -9.212 -10.426 1.00 0.00 O ATOM 544 CB ILE A 36 -0.287 -6.749 -12.847 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.225 -6.041 -11.580 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.305 -5.851 -13.555 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.755 -6.133 -11.519 1.00 0.00 C ATOM 0 H ILE A 36 -2.312 -7.041 -11.268 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.120 -8.647 -13.403 1.00 0.00 H new ATOM 0 HB ILE A 36 0.555 -6.943 -13.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.086 -4.996 -11.585 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.212 -6.500 -10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.835 -4.902 -13.813 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.654 -6.342 -14.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.152 -5.669 -12.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.114 -5.631 -10.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.056 -7.180 -11.494 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.184 -5.653 -12.399 1.00 0.00 H new ATOM 559 N SER A 37 1.176 -9.206 -12.057 1.00 0.00 N ATOM 560 CA SER A 37 2.140 -9.967 -11.264 1.00 0.00 C ATOM 561 C SER A 37 3.066 -9.028 -10.488 1.00 0.00 C ATOM 562 O SER A 37 3.892 -8.330 -11.078 1.00 0.00 O ATOM 563 CB SER A 37 2.981 -10.871 -12.168 1.00 0.00 C ATOM 564 OG SER A 37 3.166 -12.129 -11.534 1.00 0.00 O ATOM 0 H SER A 37 1.497 -8.952 -12.991 1.00 0.00 H new ATOM 0 HA SER A 37 1.581 -10.580 -10.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.486 -11.005 -13.130 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.947 -10.407 -12.369 1.00 0.00 H new ATOM 0 HG SER A 37 3.092 -12.845 -12.199 1.00 0.00 H new ATOM 570 N THR A 38 2.920 -9.027 -9.156 1.00 0.00 N ATOM 571 CA THR A 38 3.758 -8.179 -8.291 1.00 0.00 C ATOM 572 C THR A 38 5.238 -8.453 -8.555 1.00 0.00 C ATOM 573 O THR A 38 6.050 -7.531 -8.610 1.00 0.00 O ATOM 574 CB THR A 38 3.472 -8.447 -6.809 1.00 0.00 C ATOM 575 OG1 THR A 38 3.655 -9.828 -6.529 1.00 0.00 O ATOM 576 CG2 THR A 38 2.037 -8.042 -6.478 1.00 0.00 C ATOM 0 H THR A 38 2.237 -9.597 -8.656 1.00 0.00 H new ATOM 0 HA THR A 38 3.520 -7.141 -8.522 1.00 0.00 H new ATOM 0 HB THR A 38 4.160 -7.861 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.234 -9.929 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.839 -8.234 -5.424 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.902 -6.980 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.345 -8.622 -7.089 1.00 0.00 H new ATOM 584 N LYS A 39 5.571 -9.736 -8.730 1.00 0.00 N ATOM 585 CA LYS A 39 6.956 -10.130 -9.008 1.00 0.00 C ATOM 586 C LYS A 39 7.444 -9.484 -10.313 1.00 0.00 C ATOM 587 O LYS A 39 8.635 -9.216 -10.475 1.00 0.00 O ATOM 588 CB LYS A 39 7.086 -11.659 -9.114 1.00 0.00 C ATOM 589 CG LYS A 39 6.118 -12.208 -10.171 1.00 0.00 C ATOM 590 CD LYS A 39 5.287 -13.346 -9.567 1.00 0.00 C ATOM 591 CE LYS A 39 5.218 -14.516 -10.553 1.00 0.00 C ATOM 592 NZ LYS A 39 4.683 -15.723 -9.860 1.00 0.00 N ATOM 0 H LYS A 39 4.909 -10.511 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 39 7.573 -9.783 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.110 -11.926 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.875 -12.116 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.461 -11.413 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.675 -12.570 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.732 -13.675 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.282 -12.992 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.580 -14.256 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.209 -14.725 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.637 -16.516 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.309 -15.975 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.730 -15.521 -9.497 1.00 0.00 H new ATOM 606 N GLU A 40 6.502 -9.225 -11.231 1.00 0.00 N ATOM 607 CA GLU A 40 6.832 -8.598 -12.512 1.00 0.00 C ATOM 608 C GLU A 40 6.481 -7.100 -12.503 1.00 0.00 C ATOM 609 O GLU A 40 6.293 -6.495 -13.560 1.00 0.00 O ATOM 610 CB GLU A 40 6.075 -9.285 -13.653 1.00 0.00 C ATOM 611 CG GLU A 40 6.646 -10.688 -13.873 1.00 0.00 C ATOM 612 CD GLU A 40 5.650 -11.529 -14.667 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.553 -11.323 -15.867 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.001 -12.369 -14.065 1.00 0.00 O ATOM 0 H GLU A 40 5.512 -9.440 -11.109 1.00 0.00 H new ATOM 0 HA GLU A 40 7.905 -8.708 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.013 -9.346 -13.414 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.163 -8.698 -14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.593 -10.626 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.853 -11.162 -12.913 1.00 0.00 H new ATOM 621 N LEU A 41 6.406 -6.505 -11.301 1.00 0.00 N ATOM 622 CA LEU A 41 6.095 -5.076 -11.171 1.00 0.00 C ATOM 623 C LEU A 41 7.081 -4.234 -11.986 1.00 0.00 C ATOM 624 O LEU A 41 6.709 -3.208 -12.551 1.00 0.00 O ATOM 625 CB LEU A 41 6.164 -4.638 -9.701 1.00 0.00 C ATOM 626 CG LEU A 41 5.272 -3.449 -9.313 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.838 -2.158 -9.908 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.848 -3.674 -9.836 1.00 0.00 C ATOM 0 H LEU A 41 6.555 -6.988 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 41 5.084 -4.921 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.895 -5.489 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.198 -4.384 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 41 5.248 -3.364 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.201 -1.319 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.845 -1.992 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.872 -2.242 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.220 -2.828 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.870 -3.768 -10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.440 -4.586 -9.401 1.00 0.00 H new ATOM 640 N GLY A 42 8.340 -4.690 -12.051 1.00 0.00 N ATOM 641 CA GLY A 42 9.370 -3.979 -12.815 1.00 0.00 C ATOM 642 C GLY A 42 8.962 -3.846 -14.285 1.00 0.00 C ATOM 643 O GLY A 42 9.270 -2.846 -14.938 1.00 0.00 O ATOM 0 H GLY A 42 8.665 -5.539 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.529 -2.990 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.317 -4.514 -12.743 1.00 0.00 H new ATOM 647 N LYS A 43 8.251 -4.864 -14.790 1.00 0.00 N ATOM 648 CA LYS A 43 7.781 -4.860 -16.180 1.00 0.00 C ATOM 649 C LYS A 43 6.742 -3.754 -16.399 1.00 0.00 C ATOM 650 O LYS A 43 6.592 -3.246 -17.510 1.00 0.00 O ATOM 651 CB LYS A 43 7.146 -6.211 -16.543 1.00 0.00 C ATOM 652 CG LYS A 43 8.168 -7.336 -16.349 1.00 0.00 C ATOM 653 CD LYS A 43 8.762 -7.731 -17.703 1.00 0.00 C ATOM 654 CE LYS A 43 9.751 -8.885 -17.511 1.00 0.00 C ATOM 655 NZ LYS A 43 9.930 -9.612 -18.801 1.00 0.00 N ATOM 0 H LYS A 43 7.991 -5.695 -14.259 1.00 0.00 H new ATOM 0 HA LYS A 43 8.646 -4.680 -16.818 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.271 -6.391 -15.918 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.802 -6.195 -17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.960 -7.009 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.690 -8.199 -15.885 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.968 -8.029 -18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.267 -6.877 -18.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.710 -8.501 -17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.384 -9.568 -16.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.602 -10.395 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.014 -9.991 -19.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.299 -8.958 -19.520 1.00 0.00 H new ATOM 669 N VAL A 44 6.035 -3.380 -15.325 1.00 0.00 N ATOM 670 CA VAL A 44 5.022 -2.324 -15.410 1.00 0.00 C ATOM 671 C VAL A 44 5.664 -0.974 -15.095 1.00 0.00 C ATOM 672 O VAL A 44 5.300 0.045 -15.678 1.00 0.00 O ATOM 673 CB VAL A 44 3.822 -2.596 -14.462 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.727 -4.093 -14.138 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.955 -1.812 -13.149 1.00 0.00 C ATOM 0 H VAL A 44 6.145 -3.789 -14.397 1.00 0.00 H new ATOM 0 HA VAL A 44 4.628 -2.310 -16.426 1.00 0.00 H new ATOM 0 HB VAL A 44 2.920 -2.268 -14.978 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.882 -4.268 -13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.586 -4.657 -15.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.646 -4.419 -13.650 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.099 -2.026 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.872 -2.109 -12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.989 -0.744 -13.365 1.00 0.00 H new ATOM 685 N MET A 45 6.640 -0.986 -14.176 1.00 0.00 N ATOM 686 CA MET A 45 7.347 0.236 -13.801 1.00 0.00 C ATOM 687 C MET A 45 7.980 0.873 -15.034 1.00 0.00 C ATOM 688 O MET A 45 7.938 2.089 -15.201 1.00 0.00 O ATOM 689 CB MET A 45 8.444 -0.063 -12.773 1.00 0.00 C ATOM 690 CG MET A 45 7.839 -0.081 -11.368 1.00 0.00 C ATOM 691 SD MET A 45 7.796 1.603 -10.705 1.00 0.00 S ATOM 692 CE MET A 45 6.178 1.495 -9.901 1.00 0.00 C ATOM 0 H MET A 45 6.952 -1.824 -13.685 1.00 0.00 H new ATOM 0 HA MET A 45 6.624 0.922 -13.360 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.909 -1.024 -12.992 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.228 0.692 -12.833 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.832 -0.496 -11.400 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.428 -0.725 -10.715 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.694 2.471 -9.925 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.558 0.769 -10.427 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.307 1.179 -8.866 1.00 0.00 H new ATOM 702 N ARG A 46 8.553 0.030 -15.907 1.00 0.00 N ATOM 703 CA ARG A 46 9.178 0.531 -17.137 1.00 0.00 C ATOM 704 C ARG A 46 8.129 1.190 -18.042 1.00 0.00 C ATOM 705 O ARG A 46 8.419 2.166 -18.735 1.00 0.00 O ATOM 706 CB ARG A 46 9.893 -0.595 -17.902 1.00 0.00 C ATOM 707 CG ARG A 46 8.908 -1.712 -18.265 1.00 0.00 C ATOM 708 CD ARG A 46 9.532 -2.629 -19.322 1.00 0.00 C ATOM 709 NE ARG A 46 10.037 -3.863 -18.712 1.00 0.00 N ATOM 710 CZ ARG A 46 11.292 -3.964 -18.243 1.00 0.00 C ATOM 711 NH1 ARG A 46 12.131 -2.958 -18.329 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.686 -5.087 -17.698 1.00 0.00 N ATOM 0 H ARG A 46 8.596 -0.982 -15.787 1.00 0.00 H new ATOM 0 HA ARG A 46 9.922 1.274 -16.849 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.347 -0.195 -18.808 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.701 -1.000 -17.293 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.653 -2.288 -17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.980 -1.283 -18.644 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.790 -2.872 -20.082 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.346 -2.108 -19.826 1.00 0.00 H new ATOM 0 HE ARG A 46 9.417 -4.669 -18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.834 -2.081 -18.757 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.080 -3.053 -17.967 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.042 -5.875 -17.632 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.637 -5.174 -17.339 1.00 0.00 H new ATOM 726 N MET A 47 6.902 0.655 -18.006 1.00 0.00 N ATOM 727 CA MET A 47 5.803 1.206 -18.803 1.00 0.00 C ATOM 728 C MET A 47 5.322 2.530 -18.197 1.00 0.00 C ATOM 729 O MET A 47 4.927 3.448 -18.918 1.00 0.00 O ATOM 730 CB MET A 47 4.627 0.221 -18.852 1.00 0.00 C ATOM 731 CG MET A 47 4.586 -0.471 -20.217 1.00 0.00 C ATOM 732 SD MET A 47 5.748 -1.861 -20.228 1.00 0.00 S ATOM 733 CE MET A 47 6.922 -1.173 -21.422 1.00 0.00 C ATOM 0 H MET A 47 6.648 -0.153 -17.437 1.00 0.00 H new ATOM 0 HA MET A 47 6.171 1.378 -19.815 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.730 -0.522 -18.061 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.690 0.749 -18.674 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.577 -0.826 -20.426 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.844 0.238 -21.004 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.557 -1.970 -21.809 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.376 -0.712 -22.245 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.541 -0.422 -20.932 1.00 0.00 H new ATOM 743 N LEU A 48 5.375 2.616 -16.861 1.00 0.00 N ATOM 744 CA LEU A 48 4.958 3.828 -16.147 1.00 0.00 C ATOM 745 C LEU A 48 5.981 4.951 -16.352 1.00 0.00 C ATOM 746 O LEU A 48 5.632 6.132 -16.348 1.00 0.00 O ATOM 747 CB LEU A 48 4.832 3.547 -14.643 1.00 0.00 C ATOM 748 CG LEU A 48 3.455 3.070 -14.162 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.381 4.068 -14.595 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.142 1.695 -14.759 1.00 0.00 C ATOM 0 H LEU A 48 5.702 1.863 -16.256 1.00 0.00 H new ATOM 0 HA LEU A 48 3.991 4.135 -16.546 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.571 2.794 -14.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.090 4.457 -14.101 1.00 0.00 H new ATOM 0 HG LEU A 48 3.466 2.998 -13.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.405 3.725 -14.251 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.596 5.045 -14.161 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.375 4.147 -15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.163 1.363 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.139 1.763 -15.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.901 0.980 -14.442 1.00 0.00 H new ATOM 762 N GLY A 49 7.248 4.559 -16.524 1.00 0.00 N ATOM 763 CA GLY A 49 8.332 5.524 -16.726 1.00 0.00 C ATOM 764 C GLY A 49 9.353 5.466 -15.584 1.00 0.00 C ATOM 765 O GLY A 49 10.014 6.461 -15.283 1.00 0.00 O ATOM 0 H GLY A 49 7.547 3.584 -16.527 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.831 5.320 -17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.918 6.530 -16.795 1.00 0.00 H new ATOM 769 N GLN A 50 9.476 4.289 -14.953 1.00 0.00 N ATOM 770 CA GLN A 50 10.421 4.107 -13.845 1.00 0.00 C ATOM 771 C GLN A 50 11.237 2.829 -14.051 1.00 0.00 C ATOM 772 O GLN A 50 10.817 1.919 -14.768 1.00 0.00 O ATOM 773 CB GLN A 50 9.677 4.000 -12.503 1.00 0.00 C ATOM 774 CG GLN A 50 8.617 5.105 -12.387 1.00 0.00 C ATOM 775 CD GLN A 50 9.293 6.465 -12.220 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.277 6.594 -11.491 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.815 7.501 -12.857 1.00 0.00 N ATOM 0 H GLN A 50 8.937 3.456 -15.190 1.00 0.00 H new ATOM 0 HA GLN A 50 11.081 4.974 -13.826 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.202 3.022 -12.420 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.387 4.080 -11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.987 5.110 -13.276 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.966 4.907 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.000 7.397 -13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.257 8.414 -12.750 1.00 0.00 H new ATOM 786 N ASN A 51 12.411 2.770 -13.414 1.00 0.00 N ATOM 787 CA ASN A 51 13.278 1.595 -13.539 1.00 0.00 C ATOM 788 C ASN A 51 13.955 1.272 -12.201 1.00 0.00 C ATOM 789 O ASN A 51 15.162 1.473 -12.035 1.00 0.00 O ATOM 790 CB ASN A 51 14.351 1.833 -14.609 1.00 0.00 C ATOM 791 CG ASN A 51 13.691 1.948 -15.981 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.196 0.960 -16.525 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.651 3.110 -16.579 1.00 0.00 N ATOM 0 H ASN A 51 12.778 3.510 -12.816 1.00 0.00 H new ATOM 0 HA ASN A 51 12.656 0.750 -13.833 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.907 2.743 -14.384 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.069 1.013 -14.607 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.210 3.197 -17.495 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.060 3.929 -16.130 1.00 0.00 H new ATOM 800 N PRO A 52 13.182 0.765 -11.231 1.00 0.00 N ATOM 801 CA PRO A 52 13.710 0.407 -9.900 1.00 0.00 C ATOM 802 C PRO A 52 14.330 -0.996 -9.873 1.00 0.00 C ATOM 803 O PRO A 52 14.676 -1.559 -10.914 1.00 0.00 O ATOM 804 CB PRO A 52 12.453 0.464 -9.037 1.00 0.00 C ATOM 805 CG PRO A 52 11.266 0.234 -9.962 1.00 0.00 C ATOM 806 CD PRO A 52 11.734 0.518 -11.394 1.00 0.00 C ATOM 0 HA PRO A 52 14.515 1.064 -9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.486 -0.296 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.371 1.430 -8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.904 -0.790 -9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.438 0.889 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.541 -0.326 -12.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.223 1.381 -11.821 1.00 0.00 H new ATOM 814 N THR A 53 14.458 -1.551 -8.665 1.00 0.00 N ATOM 815 CA THR A 53 15.027 -2.890 -8.490 1.00 0.00 C ATOM 816 C THR A 53 13.919 -3.860 -8.054 1.00 0.00 C ATOM 817 O THR A 53 12.792 -3.435 -7.789 1.00 0.00 O ATOM 818 CB THR A 53 16.145 -2.857 -7.426 1.00 0.00 C ATOM 819 OG1 THR A 53 15.580 -2.970 -6.126 1.00 0.00 O ATOM 820 CG2 THR A 53 16.922 -1.541 -7.523 1.00 0.00 C ATOM 0 H THR A 53 14.177 -1.096 -7.797 1.00 0.00 H new ATOM 0 HA THR A 53 15.454 -3.226 -9.435 1.00 0.00 H new ATOM 0 HB THR A 53 16.822 -3.693 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.295 -2.950 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.709 -1.526 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.368 -1.454 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.243 -0.705 -7.356 1.00 0.00 H new ATOM 828 N PRO A 54 14.217 -5.165 -7.958 1.00 0.00 N ATOM 829 CA PRO A 54 13.211 -6.159 -7.532 1.00 0.00 C ATOM 830 C PRO A 54 12.921 -6.076 -6.033 1.00 0.00 C ATOM 831 O PRO A 54 11.818 -6.398 -5.584 1.00 0.00 O ATOM 832 CB PRO A 54 13.863 -7.482 -7.915 1.00 0.00 C ATOM 833 CG PRO A 54 15.362 -7.231 -7.990 1.00 0.00 C ATOM 834 CD PRO A 54 15.553 -5.733 -8.250 1.00 0.00 C ATOM 0 HA PRO A 54 12.237 -6.010 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.637 -8.252 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.483 -7.837 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.849 -7.526 -7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.812 -7.821 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.321 -5.307 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.857 -5.539 -9.279 1.00 0.00 H new ATOM 842 N GLU A 55 13.913 -5.605 -5.268 1.00 0.00 N ATOM 843 CA GLU A 55 13.748 -5.443 -3.825 1.00 0.00 C ATOM 844 C GLU A 55 13.000 -4.140 -3.533 1.00 0.00 C ATOM 845 O GLU A 55 12.193 -4.068 -2.604 1.00 0.00 O ATOM 846 CB GLU A 55 15.111 -5.406 -3.123 1.00 0.00 C ATOM 847 CG GLU A 55 15.628 -6.835 -2.931 1.00 0.00 C ATOM 848 CD GLU A 55 17.077 -6.796 -2.454 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.284 -6.731 -1.253 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.960 -6.834 -3.297 1.00 0.00 O ATOM 0 H GLU A 55 14.829 -5.332 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 55 13.178 -6.292 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.821 -4.828 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.021 -4.908 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.009 -7.362 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.558 -7.387 -3.868 1.00 0.00 H new ATOM 857 N GLU A 56 13.278 -3.110 -4.348 1.00 0.00 N ATOM 858 CA GLU A 56 12.635 -1.807 -4.186 1.00 0.00 C ATOM 859 C GLU A 56 11.147 -1.887 -4.531 1.00 0.00 C ATOM 860 O GLU A 56 10.300 -1.443 -3.755 1.00 0.00 O ATOM 861 CB GLU A 56 13.305 -0.767 -5.090 1.00 0.00 C ATOM 862 CG GLU A 56 12.999 0.642 -4.573 1.00 0.00 C ATOM 863 CD GLU A 56 12.655 1.553 -5.747 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.574 2.095 -6.342 1.00 0.00 O ATOM 865 OE2 GLU A 56 11.477 1.696 -6.035 1.00 0.00 O ATOM 0 H GLU A 56 13.942 -3.159 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 56 12.743 -1.509 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.382 -0.931 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.945 -0.875 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.168 0.610 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.859 1.037 -4.033 1.00 0.00 H new ATOM 872 N LEU A 57 10.837 -2.456 -5.704 1.00 0.00 N ATOM 873 CA LEU A 57 9.444 -2.586 -6.137 1.00 0.00 C ATOM 874 C LEU A 57 8.638 -3.440 -5.154 1.00 0.00 C ATOM 875 O LEU A 57 7.465 -3.165 -4.905 1.00 0.00 O ATOM 876 CB LEU A 57 9.362 -3.204 -7.540 1.00 0.00 C ATOM 877 CG LEU A 57 9.705 -4.697 -7.641 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.454 -5.541 -7.362 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.217 -5.004 -9.051 1.00 0.00 C ATOM 0 H LEU A 57 11.523 -2.828 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 57 9.017 -1.584 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.351 -3.058 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.034 -2.652 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 57 10.473 -4.939 -6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.705 -6.599 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.085 -5.324 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.682 -5.300 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.462 -6.063 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.445 -4.757 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.109 -4.410 -9.251 1.00 0.00 H new ATOM 891 N GLN A 58 9.281 -4.477 -4.594 1.00 0.00 N ATOM 892 CA GLN A 58 8.603 -5.357 -3.637 1.00 0.00 C ATOM 893 C GLN A 58 8.140 -4.569 -2.410 1.00 0.00 C ATOM 894 O GLN A 58 7.062 -4.826 -1.871 1.00 0.00 O ATOM 895 CB GLN A 58 9.529 -6.494 -3.189 1.00 0.00 C ATOM 896 CG GLN A 58 8.708 -7.578 -2.481 1.00 0.00 C ATOM 897 CD GLN A 58 7.799 -8.287 -3.487 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.266 -9.086 -4.298 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.514 -8.036 -3.484 1.00 0.00 N ATOM 0 H GLN A 58 10.253 -4.722 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 58 7.734 -5.782 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.044 -6.918 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.296 -6.108 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.374 -8.300 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.108 -7.132 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.125 -7.374 -2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.902 -8.503 -4.153 1.00 0.00 H new ATOM 908 N GLU A 59 8.956 -3.597 -1.983 1.00 0.00 N ATOM 909 CA GLU A 59 8.603 -2.764 -0.828 1.00 0.00 C ATOM 910 C GLU A 59 7.320 -1.981 -1.118 1.00 0.00 C ATOM 911 O GLU A 59 6.463 -1.822 -0.246 1.00 0.00 O ATOM 912 CB GLU A 59 9.731 -1.778 -0.503 1.00 0.00 C ATOM 913 CG GLU A 59 10.826 -2.495 0.293 1.00 0.00 C ATOM 914 CD GLU A 59 12.125 -1.697 0.210 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.874 -1.915 -0.729 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.352 -0.879 1.086 1.00 0.00 O ATOM 0 H GLU A 59 9.853 -3.370 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 59 8.448 -3.421 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.146 -1.368 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.340 -0.939 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.521 -2.605 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.978 -3.499 -0.102 1.00 0.00 H new ATOM 923 N MET A 60 7.192 -1.513 -2.367 1.00 0.00 N ATOM 924 CA MET A 60 6.001 -0.766 -2.789 1.00 0.00 C ATOM 925 C MET A 60 4.796 -1.701 -2.874 1.00 0.00 C ATOM 926 O MET A 60 3.667 -1.304 -2.592 1.00 0.00 O ATOM 927 CB MET A 60 6.214 -0.116 -4.162 1.00 0.00 C ATOM 928 CG MET A 60 7.531 0.662 -4.175 1.00 0.00 C ATOM 929 SD MET A 60 7.725 1.495 -5.772 1.00 0.00 S ATOM 930 CE MET A 60 6.826 3.009 -5.354 1.00 0.00 C ATOM 0 H MET A 60 7.893 -1.637 -3.097 1.00 0.00 H new ATOM 0 HA MET A 60 5.821 0.013 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.227 -0.882 -4.938 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.384 0.554 -4.389 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.541 1.394 -3.367 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.367 -0.015 -4.002 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.822 3.679 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.800 2.760 -5.083 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.314 3.501 -4.513 1.00 0.00 H new ATOM 940 N ILE A 61 5.059 -2.951 -3.268 1.00 0.00 N ATOM 941 CA ILE A 61 4.001 -3.957 -3.392 1.00 0.00 C ATOM 942 C ILE A 61 3.470 -4.352 -2.012 1.00 0.00 C ATOM 943 O ILE A 61 2.264 -4.412 -1.799 1.00 0.00 O ATOM 944 CB ILE A 61 4.533 -5.214 -4.103 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.835 -4.892 -5.576 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.496 -6.341 -4.029 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.574 -4.373 -6.276 1.00 0.00 C ATOM 0 H ILE A 61 5.992 -3.289 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 61 3.193 -3.522 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 61 5.448 -5.537 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.627 -4.145 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.199 -5.785 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.883 -7.225 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.293 -6.580 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.574 -6.020 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.802 -4.149 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.794 -5.133 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.228 -3.467 -5.778 1.00 0.00 H new ATOM 959 N ASP A 62 4.386 -4.634 -1.085 1.00 0.00 N ATOM 960 CA ASP A 62 4.000 -5.040 0.270 1.00 0.00 C ATOM 961 C ASP A 62 3.121 -3.983 0.949 1.00 0.00 C ATOM 962 O ASP A 62 2.151 -4.318 1.630 1.00 0.00 O ATOM 963 CB ASP A 62 5.246 -5.278 1.131 1.00 0.00 C ATOM 964 CG ASP A 62 4.910 -6.246 2.262 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.057 -7.440 2.056 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.511 -5.780 3.317 1.00 0.00 O ATOM 0 H ASP A 62 5.393 -4.590 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 62 3.428 -5.963 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.051 -5.684 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.603 -4.333 1.541 1.00 0.00 H new ATOM 971 N GLU A 63 3.480 -2.708 0.770 1.00 0.00 N ATOM 972 CA GLU A 63 2.727 -1.612 1.387 1.00 0.00 C ATOM 973 C GLU A 63 1.391 -1.350 0.679 1.00 0.00 C ATOM 974 O GLU A 63 0.387 -1.056 1.332 1.00 0.00 O ATOM 975 CB GLU A 63 3.569 -0.329 1.390 1.00 0.00 C ATOM 976 CG GLU A 63 3.771 0.185 -0.040 1.00 0.00 C ATOM 977 CD GLU A 63 4.630 1.444 -0.014 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.841 1.311 0.065 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.065 2.523 -0.074 1.00 0.00 O ATOM 0 H GLU A 63 4.279 -2.411 0.209 1.00 0.00 H new ATOM 0 HA GLU A 63 2.504 -1.913 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.076 0.435 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.537 -0.523 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.250 -0.582 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.806 0.400 -0.500 1.00 0.00 H new ATOM 986 N VAL A 64 1.384 -1.440 -0.655 1.00 0.00 N ATOM 987 CA VAL A 64 0.158 -1.187 -1.424 1.00 0.00 C ATOM 988 C VAL A 64 -0.798 -2.384 -1.372 1.00 0.00 C ATOM 989 O VAL A 64 -2.018 -2.208 -1.311 1.00 0.00 O ATOM 990 CB VAL A 64 0.495 -0.856 -2.889 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.084 -2.085 -3.586 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.775 -0.415 -3.620 1.00 0.00 C ATOM 0 H VAL A 64 2.199 -1.682 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.340 -0.332 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 64 1.228 -0.050 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.318 -1.839 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.994 -2.394 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.360 -2.899 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.535 -0.181 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.510 -1.219 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.186 0.470 -3.134 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.241 -3.598 -1.398 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.064 -4.805 -1.354 1.00 0.00 C ATOM 1004 C ASP A 65 -1.526 -5.070 0.078 1.00 0.00 C ATOM 1005 O ASP A 65 -0.776 -5.596 0.904 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.280 -6.016 -1.877 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.108 -6.748 -2.929 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.968 -7.525 -2.548 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.870 -6.518 -4.104 1.00 0.00 O ATOM 0 H ASP A 65 0.763 -3.768 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.934 -4.651 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.667 -5.690 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.041 -6.690 -1.054 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.773 -4.683 0.356 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.357 -4.861 1.692 1.00 0.00 C ATOM 1016 C GLU A 66 -3.386 -6.339 2.100 1.00 0.00 C ATOM 1017 O GLU A 66 -3.240 -6.669 3.278 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.788 -4.300 1.743 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.614 -4.833 0.562 1.00 0.00 C ATOM 1020 CD GLU A 66 -7.098 -4.800 0.917 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.721 -3.777 0.687 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.591 -5.803 1.408 1.00 0.00 O ATOM 0 H GLU A 66 -3.398 -4.246 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.725 -4.314 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.262 -4.581 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.760 -3.211 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.429 -4.229 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.310 -5.852 0.323 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.578 -7.217 1.114 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.631 -8.658 1.375 1.00 0.00 C ATOM 1031 C ASP A 67 -2.272 -9.314 1.112 1.00 0.00 C ATOM 1032 O ASP A 67 -1.892 -10.264 1.799 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.704 -9.333 0.503 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.604 -8.845 -0.944 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.122 -7.775 -1.229 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.011 -9.545 -1.741 1.00 0.00 O ATOM 0 H ASP A 67 -3.699 -6.959 0.135 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.890 -8.791 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.581 -10.415 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.695 -9.112 0.900 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.549 -8.803 0.112 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.237 -9.354 -0.233 1.00 0.00 C ATOM 1043 C GLY A 68 -0.389 -10.704 -0.928 1.00 0.00 C ATOM 1044 O GLY A 68 0.263 -11.683 -0.562 1.00 0.00 O ATOM 0 H GLY A 68 -1.846 -8.017 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.295 -8.661 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.364 -9.469 0.669 1.00 0.00 H new ATOM 1048 N SER A 69 -1.272 -10.741 -1.929 1.00 0.00 N ATOM 1049 CA SER A 69 -1.530 -11.974 -2.679 1.00 0.00 C ATOM 1050 C SER A 69 -0.525 -12.182 -3.825 1.00 0.00 C ATOM 1051 O SER A 69 -0.663 -13.125 -4.607 1.00 0.00 O ATOM 1052 CB SER A 69 -2.942 -11.941 -3.276 1.00 0.00 C ATOM 1053 OG SER A 69 -3.095 -10.763 -4.065 1.00 0.00 O ATOM 0 H SER A 69 -1.818 -9.937 -2.238 1.00 0.00 H new ATOM 0 HA SER A 69 -1.426 -12.798 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.111 -12.827 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.686 -11.958 -2.480 1.00 0.00 H new ATOM 0 HG SER A 69 -3.443 -10.038 -3.506 1.00 0.00 H new ATOM 1059 N GLY A 70 0.474 -11.295 -3.935 1.00 0.00 N ATOM 1060 CA GLY A 70 1.461 -11.406 -5.007 1.00 0.00 C ATOM 1061 C GLY A 70 0.863 -10.956 -6.344 1.00 0.00 C ATOM 1062 O GLY A 70 1.376 -11.299 -7.411 1.00 0.00 O ATOM 0 H GLY A 70 0.615 -10.506 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.333 -10.796 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.805 -12.437 -5.086 1.00 0.00 H new ATOM 1066 N THR A 71 -0.229 -10.181 -6.270 1.00 0.00 N ATOM 1067 CA THR A 71 -0.898 -9.683 -7.472 1.00 0.00 C ATOM 1068 C THR A 71 -1.457 -8.285 -7.208 1.00 0.00 C ATOM 1069 O THR A 71 -2.128 -8.053 -6.201 1.00 0.00 O ATOM 1070 CB THR A 71 -2.041 -10.622 -7.891 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.112 -10.523 -6.960 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.538 -12.066 -7.931 1.00 0.00 C ATOM 0 H THR A 71 -0.663 -9.889 -5.394 1.00 0.00 H new ATOM 0 HA THR A 71 -0.168 -9.642 -8.280 1.00 0.00 H new ATOM 0 HB THR A 71 -2.392 -10.332 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.766 -10.639 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.352 -12.727 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.723 -12.148 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.180 -12.354 -6.943 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.165 -7.357 -8.118 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.637 -5.980 -7.962 1.00 0.00 C ATOM 1082 C VAL A 72 -2.916 -5.747 -8.761 1.00 0.00 C ATOM 1083 O VAL A 72 -2.935 -5.880 -9.986 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.577 -4.973 -8.430 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.923 -3.582 -7.888 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.804 -5.384 -7.913 1.00 0.00 C ATOM 0 H VAL A 72 -0.613 -7.528 -8.959 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.835 -5.830 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.562 -4.955 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.172 -2.865 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.902 -3.280 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.942 -3.610 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.548 -4.663 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.792 -5.410 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.057 -6.373 -8.296 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.974 -5.360 -8.049 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.258 -5.065 -8.687 1.00 0.00 C ATOM 1098 C ASP A 73 -5.202 -3.652 -9.257 1.00 0.00 C ATOM 1099 O ASP A 73 -4.287 -2.892 -8.945 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.397 -5.143 -7.662 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.731 -5.390 -8.365 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -8.064 -6.543 -8.576 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -8.405 -4.420 -8.673 1.00 0.00 O ATOM 0 H ASP A 73 -3.969 -5.244 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.443 -5.794 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.200 -5.945 -6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.446 -4.215 -7.092 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.185 -3.293 -10.081 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.210 -1.950 -10.656 1.00 0.00 C ATOM 1110 C PHE A 74 -6.310 -0.902 -9.544 1.00 0.00 C ATOM 1111 O PHE A 74 -5.764 0.197 -9.664 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.379 -1.782 -11.630 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.169 -0.531 -12.444 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.935 -0.304 -13.062 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.202 0.401 -12.577 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.733 0.854 -13.812 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.001 1.562 -13.329 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.767 1.789 -13.946 1.00 0.00 C ATOM 0 H PHE A 74 -6.958 -3.897 -10.360 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.282 -1.807 -11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.449 -2.650 -12.286 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.319 -1.720 -11.082 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.138 -1.026 -12.958 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.154 0.224 -12.099 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.780 1.030 -14.289 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.798 2.283 -13.433 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.611 2.686 -14.526 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.990 -1.267 -8.448 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.128 -0.365 -7.303 1.00 0.00 C ATOM 1130 C ASP A 75 -5.763 -0.173 -6.640 1.00 0.00 C ATOM 1131 O ASP A 75 -5.361 0.949 -6.336 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.110 -0.936 -6.272 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.515 -0.979 -6.869 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.210 0.019 -6.769 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.874 -2.009 -7.416 1.00 0.00 O ATOM 0 H ASP A 75 -7.448 -2.171 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.512 0.590 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.799 -1.938 -5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.105 -0.321 -5.372 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.050 -1.290 -6.445 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.714 -1.253 -5.840 1.00 0.00 C ATOM 1142 C GLU A 76 -2.708 -0.618 -6.814 1.00 0.00 C ATOM 1143 O GLU A 76 -1.716 -0.019 -6.398 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.242 -2.673 -5.480 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.281 -3.358 -4.578 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.856 -4.800 -4.278 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.514 -5.509 -5.212 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.892 -5.182 -3.119 1.00 0.00 O ATOM 0 H GLU A 76 -5.374 -2.224 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.770 -0.654 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.095 -3.258 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.279 -2.627 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.387 -2.802 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.256 -3.353 -5.066 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.985 -0.760 -8.119 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.119 -0.209 -9.165 1.00 0.00 C ATOM 1157 C PHE A 77 -2.112 1.321 -9.112 1.00 0.00 C ATOM 1158 O PHE A 77 -1.052 1.947 -9.052 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.626 -0.663 -10.545 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.489 -0.956 -11.502 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.190 -1.231 -11.039 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.751 -0.961 -12.877 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.832 -1.506 -11.951 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.727 -1.238 -13.786 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.565 -1.511 -13.325 1.00 0.00 C ATOM 0 H PHE A 77 -3.805 -1.253 -8.473 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.105 -0.573 -9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.241 -1.556 -10.429 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.265 0.112 -10.969 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.017 -1.230 -9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.747 -0.750 -13.236 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.830 -1.715 -11.595 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.933 -1.241 -14.846 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.356 -1.725 -14.029 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.312 1.911 -9.132 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.450 3.371 -9.081 1.00 0.00 C ATOM 1177 C LEU A 78 -3.103 3.901 -7.687 1.00 0.00 C ATOM 1178 O LEU A 78 -2.647 5.038 -7.541 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.882 3.788 -9.436 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.168 3.969 -10.934 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.578 2.801 -11.726 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.681 4.018 -11.158 1.00 0.00 C ATOM 0 H LEU A 78 -4.196 1.405 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.758 3.796 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.568 3.039 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.106 4.725 -8.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.712 4.899 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.786 2.939 -12.787 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.500 2.763 -11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.027 1.868 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.888 4.146 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.131 3.088 -10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.104 4.855 -10.602 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.315 3.059 -6.667 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.015 3.439 -5.286 1.00 0.00 C ATOM 1196 C VAL A 79 -1.517 3.711 -5.138 1.00 0.00 C ATOM 1197 O VAL A 79 -1.116 4.733 -4.589 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.449 2.321 -4.318 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.550 2.297 -3.078 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.896 2.564 -3.882 1.00 0.00 C ATOM 0 H VAL A 79 -3.691 2.117 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.568 4.345 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.364 1.364 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.875 1.500 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.518 2.119 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.617 3.255 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.207 1.775 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.968 3.529 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.545 2.561 -4.758 1.00 0.00 H new ATOM 1210 N MET A 80 -0.703 2.777 -5.641 1.00 0.00 N ATOM 1211 CA MET A 80 0.758 2.902 -5.579 1.00 0.00 C ATOM 1212 C MET A 80 1.219 4.310 -5.981 1.00 0.00 C ATOM 1213 O MET A 80 2.181 4.839 -5.420 1.00 0.00 O ATOM 1214 CB MET A 80 1.413 1.878 -6.514 1.00 0.00 C ATOM 1215 CG MET A 80 2.491 1.107 -5.753 1.00 0.00 C ATOM 1216 SD MET A 80 2.750 -0.505 -6.537 1.00 0.00 S ATOM 1217 CE MET A 80 3.382 0.106 -8.119 1.00 0.00 C ATOM 0 H MET A 80 -1.031 1.925 -6.096 1.00 0.00 H new ATOM 0 HA MET A 80 1.060 2.717 -4.548 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.661 1.189 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.852 2.384 -7.374 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.422 1.674 -5.747 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.192 0.974 -4.713 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.029 -0.537 -8.925 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.027 1.123 -8.284 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.472 0.101 -8.102 1.00 0.00 H new ATOM 1227 N MET A 81 0.523 4.910 -6.956 1.00 0.00 N ATOM 1228 CA MET A 81 0.871 6.255 -7.423 1.00 0.00 C ATOM 1229 C MET A 81 0.540 7.310 -6.361 1.00 0.00 C ATOM 1230 O MET A 81 1.411 8.078 -5.946 1.00 0.00 O ATOM 1231 CB MET A 81 0.115 6.586 -8.719 1.00 0.00 C ATOM 1232 CG MET A 81 0.521 7.975 -9.230 1.00 0.00 C ATOM 1233 SD MET A 81 2.324 8.074 -9.389 1.00 0.00 S ATOM 1234 CE MET A 81 2.499 6.932 -10.782 1.00 0.00 C ATOM 0 H MET A 81 -0.276 4.489 -7.431 1.00 0.00 H new ATOM 0 HA MET A 81 1.944 6.271 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.332 5.834 -9.477 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.960 6.556 -8.539 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.051 8.168 -10.194 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.166 8.743 -8.543 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.414 7.162 -11.328 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.546 5.909 -10.410 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.643 7.037 -11.448 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.727 7.344 -5.933 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.165 8.319 -4.922 1.00 0.00 C ATOM 1246 C VAL A 82 -0.438 8.110 -3.588 1.00 0.00 C ATOM 1247 O VAL A 82 -0.203 9.065 -2.850 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.682 8.234 -4.688 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.423 8.590 -5.980 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -3.072 6.817 -4.252 1.00 0.00 C ATOM 0 H VAL A 82 -1.460 6.717 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.916 9.307 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.957 8.937 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.498 8.529 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.160 9.604 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.139 7.891 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.149 6.770 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.791 6.107 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.554 6.566 -3.327 1.00 0.00 H new ATOM 1260 N ARG A 83 -0.086 6.853 -3.290 1.00 0.00 N ATOM 1261 CA ARG A 83 0.620 6.524 -2.043 1.00 0.00 C ATOM 1262 C ARG A 83 1.831 7.440 -1.839 1.00 0.00 C ATOM 1263 O ARG A 83 2.141 7.835 -0.713 1.00 0.00 O ATOM 1264 CB ARG A 83 1.103 5.068 -2.067 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.067 4.125 -1.765 1.00 0.00 C ATOM 1266 CD ARG A 83 0.400 3.014 -0.819 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.603 2.754 0.216 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.277 2.191 1.389 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.963 1.846 1.646 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.205 1.978 2.285 1.00 0.00 N ATOM 0 H ARG A 83 -0.277 6.051 -3.890 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.082 6.667 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.528 4.833 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.895 4.926 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.888 4.681 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.447 3.693 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.588 2.103 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.343 3.300 -0.354 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.575 3.008 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.691 2.005 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.198 1.419 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.171 2.240 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.963 1.550 3.179 1.00 0.00 H new ATOM 1284 N CYS A 84 2.506 7.773 -2.944 1.00 0.00 N ATOM 1285 CA CYS A 84 3.683 8.644 -2.887 1.00 0.00 C ATOM 1286 C CYS A 84 3.275 10.120 -2.941 1.00 0.00 C ATOM 1287 O CYS A 84 3.839 10.954 -2.230 1.00 0.00 O ATOM 1288 CB CYS A 84 4.631 8.346 -4.053 1.00 0.00 C ATOM 1289 SG CYS A 84 6.316 8.834 -3.605 1.00 0.00 S ATOM 0 H CYS A 84 2.260 7.455 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 84 4.192 8.447 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.602 7.284 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.310 8.886 -4.944 1.00 0.00 H new ATOM 0 HG CYS A 84 7.119 8.579 -4.595 1.00 0.00 H new ATOM 1295 N MET A 85 2.293 10.431 -3.797 1.00 0.00 N ATOM 1296 CA MET A 85 1.814 11.810 -3.945 1.00 0.00 C ATOM 1297 C MET A 85 1.244 12.337 -2.626 1.00 0.00 C ATOM 1298 O MET A 85 1.749 13.312 -2.068 1.00 0.00 O ATOM 1299 CB MET A 85 0.733 11.888 -5.030 1.00 0.00 C ATOM 1300 CG MET A 85 0.719 13.291 -5.640 1.00 0.00 C ATOM 1301 SD MET A 85 1.767 13.320 -7.118 1.00 0.00 S ATOM 1302 CE MET A 85 0.680 14.331 -8.152 1.00 0.00 C ATOM 0 H MET A 85 1.819 9.752 -4.393 1.00 0.00 H new ATOM 0 HA MET A 85 2.665 12.427 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.926 11.146 -5.804 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.243 11.656 -4.603 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.301 13.576 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.078 14.019 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.140 14.477 -9.129 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.279 13.827 -8.274 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.523 15.299 -7.677 1.00 0.00 H new ATOM 1312 N LYS A 86 0.190 11.678 -2.135 1.00 0.00 N ATOM 1313 CA LYS A 86 -0.445 12.085 -0.878 1.00 0.00 C ATOM 1314 C LYS A 86 0.190 11.340 0.305 1.00 0.00 C ATOM 1315 O LYS A 86 1.270 10.759 0.178 1.00 0.00 O ATOM 1316 CB LYS A 86 -1.957 11.803 -0.928 1.00 0.00 C ATOM 1317 CG LYS A 86 -2.221 10.296 -0.800 1.00 0.00 C ATOM 1318 CD LYS A 86 -3.708 10.052 -0.530 1.00 0.00 C ATOM 1319 CE LYS A 86 -4.021 10.333 0.943 1.00 0.00 C ATOM 1320 NZ LYS A 86 -4.941 11.503 1.046 1.00 0.00 N ATOM 0 H LYS A 86 -0.238 10.868 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.291 13.156 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.461 12.337 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.372 12.174 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.919 9.786 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.622 9.880 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.313 10.695 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.968 9.022 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.479 9.456 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.099 10.533 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.111 11.723 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.510 12.326 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.844 11.276 0.583 1.00 0.00 H new ATOM 1334 N ASP A 87 -0.496 11.368 1.459 1.00 0.00 N ATOM 1335 CA ASP A 87 0.002 10.696 2.663 1.00 0.00 C ATOM 1336 C ASP A 87 1.353 11.283 3.085 1.00 0.00 C ATOM 1337 O ASP A 87 2.297 10.555 3.406 1.00 0.00 O ATOM 1338 CB ASP A 87 0.142 9.186 2.418 1.00 0.00 C ATOM 1339 CG ASP A 87 -0.383 8.420 3.628 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -1.582 8.203 3.693 1.00 0.00 O ATOM 1341 OD2 ASP A 87 0.420 8.060 4.472 1.00 0.00 O ATOM 0 H ASP A 87 -1.389 11.845 1.580 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.718 10.857 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.413 8.899 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.187 8.932 2.239 1.00 0.00 H new ATOM 1346 N ASP A 88 1.427 12.615 3.075 1.00 0.00 N ATOM 1347 CA ASP A 88 2.658 13.315 3.450 1.00 0.00 C ATOM 1348 C ASP A 88 2.581 13.802 4.898 1.00 0.00 C ATOM 1349 O ASP A 88 3.486 13.550 5.696 1.00 0.00 O ATOM 1350 CB ASP A 88 2.903 14.518 2.529 1.00 0.00 C ATOM 1351 CG ASP A 88 2.671 14.113 1.074 1.00 0.00 C ATOM 1352 OD1 ASP A 88 3.547 13.479 0.506 1.00 0.00 O ATOM 1353 OD2 ASP A 88 1.620 14.441 0.550 1.00 0.00 O ATOM 0 H ASP A 88 0.655 13.228 2.813 1.00 0.00 H new ATOM 0 HA ASP A 88 3.483 12.610 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.235 15.336 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.922 14.883 2.656 1.00 0.00 H new ATOM 1358 N SER A 89 1.489 14.500 5.226 1.00 0.00 N ATOM 1359 CA SER A 89 1.297 15.019 6.582 1.00 0.00 C ATOM 1360 C SER A 89 -0.139 14.784 7.052 1.00 0.00 C ATOM 1361 O SER A 89 -1.053 15.199 6.353 1.00 0.00 O ATOM 1362 CB SER A 89 1.606 16.518 6.632 1.00 0.00 C ATOM 1363 OG SER A 89 1.896 16.894 7.973 1.00 0.00 O ATOM 1364 OXT SER A 89 -0.305 14.191 8.105 1.00 0.00 O ATOM 0 H SER A 89 0.732 14.717 4.578 1.00 0.00 H new ATOM 0 HA SER A 89 1.981 14.488 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.454 16.748 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.756 17.089 6.258 1.00 0.00 H new ATOM 0 HG SER A 89 2.096 17.853 8.008 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.516 -7.939 -3.817 1.00 0.00 CA