USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ 151:sc= 1.1 (180deg=-0.408) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.122 K(o=1.2,f=-5.5!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= 1.06 K(o=1.3,f=-3.5!) USER MOD Set 2.2: A 63 THR OG1 : rot -37:sc= 0.198 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.863 (180deg=0.707) USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= 1.41 (180deg=0.108) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.37 USER MOD Single : A 19 ASN : amide:sc= 0.966 K(o=0.97,f=-5.2!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.537) USER MOD Single : A 28 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.059) USER MOD Single : A 35 HIS : +bothHN:sc= -1.3! C(o=-1.3!,f=-5.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 2.09 (180deg=1.42) USER MOD Single : A 54 THR OG1 : rot -53:sc= 0.993 USER MOD Single : A 57 MET CE :methyl 152:sc= -0.961 (180deg=-2.95) USER MOD Single : A 58 SER OG : rot 146:sc= 1.47 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 166:sc= 1.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0.74 (180deg=-1.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.236 -7.656 -1.551 1.00 0.00 N ATOM 2 CA MET A 1 9.620 -7.038 -2.824 1.00 0.00 C ATOM 3 C MET A 1 10.881 -6.249 -2.612 1.00 0.00 C ATOM 4 O MET A 1 11.934 -6.648 -3.076 1.00 0.00 O ATOM 5 CB MET A 1 8.510 -6.133 -3.390 1.00 0.00 C ATOM 6 CG MET A 1 7.170 -6.823 -3.587 1.00 0.00 C ATOM 7 SD MET A 1 7.310 -8.367 -4.496 1.00 0.00 S ATOM 8 CE MET A 1 5.580 -8.834 -4.623 1.00 0.00 C ATOM 0 H1 MET A 1 8.606 -8.463 -1.733 1.00 0.00 H new ATOM 0 H2 MET A 1 10.088 -7.986 -1.055 1.00 0.00 H new ATOM 0 H3 MET A 1 8.741 -6.957 -0.961 1.00 0.00 H new ATOM 0 HA MET A 1 9.784 -7.828 -3.557 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.372 -5.286 -2.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.841 -5.730 -4.347 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.721 -7.019 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.496 -6.152 -4.120 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.496 -9.777 -5.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.160 -8.950 -3.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.032 -8.059 -5.159 1.00 0.00 H new ATOM 20 N ALA A 2 10.782 -5.150 -1.875 1.00 0.00 N ATOM 21 CA ALA A 2 11.949 -4.373 -1.529 1.00 0.00 C ATOM 22 C ALA A 2 12.644 -5.066 -0.370 1.00 0.00 C ATOM 23 O ALA A 2 13.863 -5.064 -0.256 1.00 0.00 O ATOM 24 CB ALA A 2 11.554 -2.950 -1.151 1.00 0.00 C ATOM 0 H ALA A 2 9.903 -4.783 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 2 12.623 -4.306 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.447 -2.381 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.052 -2.476 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.880 -2.975 -0.295 1.00 0.00 H new ATOM 30 N LYS A 3 11.844 -5.678 0.482 1.00 0.00 N ATOM 31 CA LYS A 3 12.339 -6.442 1.587 1.00 0.00 C ATOM 32 C LYS A 3 11.692 -7.838 1.578 1.00 0.00 C ATOM 33 O LYS A 3 10.888 -8.153 0.674 1.00 0.00 O ATOM 34 CB LYS A 3 12.117 -5.706 2.923 1.00 0.00 C ATOM 35 CG LYS A 3 12.898 -4.399 3.058 1.00 0.00 C ATOM 36 CD LYS A 3 12.866 -3.772 4.477 1.00 0.00 C ATOM 37 CE LYS A 3 11.482 -3.273 4.935 1.00 0.00 C ATOM 38 NZ LYS A 3 10.596 -4.334 5.471 1.00 0.00 N ATOM 0 H LYS A 3 10.826 -5.652 0.417 1.00 0.00 H new ATOM 0 HA LYS A 3 13.417 -6.565 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.054 -5.494 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.398 -6.370 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.936 -4.580 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.498 -3.677 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.225 -4.511 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.565 -2.936 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.619 -2.510 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.985 -2.793 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.606 -4.101 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.841 -5.245 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.719 -4.401 6.502 1.00 0.00 H new ATOM 52 N GLN A 4 12.061 -8.680 2.537 1.00 0.00 N ATOM 53 CA GLN A 4 11.562 -10.073 2.614 1.00 0.00 C ATOM 54 C GLN A 4 11.306 -10.459 4.071 1.00 0.00 C ATOM 55 O GLN A 4 11.210 -11.626 4.419 1.00 0.00 O ATOM 56 CB GLN A 4 12.578 -11.044 1.983 1.00 0.00 C ATOM 57 CG GLN A 4 12.800 -10.838 0.489 1.00 0.00 C ATOM 58 CD GLN A 4 13.815 -11.792 -0.092 1.00 0.00 C ATOM 59 OE1 GLN A 4 13.479 -12.871 -0.535 1.00 0.00 O ATOM 60 NE2 GLN A 4 15.060 -11.390 -0.110 1.00 0.00 N ATOM 0 H GLN A 4 12.709 -8.431 3.284 1.00 0.00 H new ATOM 0 HA GLN A 4 10.626 -10.138 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.533 -10.937 2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.238 -12.066 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.852 -10.962 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.130 -9.814 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.307 -10.477 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.784 -11.990 -0.505 1.00 0.00 H new ATOM 69 N ASP A 5 11.187 -9.454 4.885 1.00 0.00 N ATOM 70 CA ASP A 5 10.949 -9.568 6.325 1.00 0.00 C ATOM 71 C ASP A 5 9.467 -9.376 6.603 1.00 0.00 C ATOM 72 O ASP A 5 8.846 -10.098 7.377 1.00 0.00 O ATOM 73 CB ASP A 5 11.794 -8.487 7.076 1.00 0.00 C ATOM 74 CG ASP A 5 11.540 -7.057 6.571 1.00 0.00 C ATOM 75 OD1 ASP A 5 11.173 -6.895 5.378 1.00 0.00 O ATOM 76 OD2 ASP A 5 11.668 -6.083 7.327 1.00 0.00 O ATOM 0 H ASP A 5 11.253 -8.486 4.569 1.00 0.00 H new ATOM 0 HA ASP A 5 11.249 -10.555 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.567 -8.534 8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.853 -8.721 6.965 1.00 0.00 H new ATOM 81 N VAL A 6 8.943 -8.400 5.959 1.00 0.00 N ATOM 82 CA VAL A 6 7.559 -8.035 6.009 1.00 0.00 C ATOM 83 C VAL A 6 6.938 -8.444 4.670 1.00 0.00 C ATOM 84 O VAL A 6 7.663 -8.725 3.701 1.00 0.00 O ATOM 85 CB VAL A 6 7.418 -6.486 6.281 1.00 0.00 C ATOM 86 CG1 VAL A 6 5.973 -6.046 6.439 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.204 -6.091 7.526 1.00 0.00 C ATOM 0 H VAL A 6 9.490 -7.795 5.347 1.00 0.00 H new ATOM 0 HA VAL A 6 7.039 -8.541 6.822 1.00 0.00 H new ATOM 0 HB VAL A 6 7.824 -5.980 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.938 -4.972 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.421 -6.276 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.522 -6.574 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.097 -5.020 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.821 -6.639 8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.257 -6.331 7.383 1.00 0.00 H new ATOM 97 N ILE A 7 5.638 -8.452 4.591 1.00 0.00 N ATOM 98 CA ILE A 7 4.968 -8.918 3.412 1.00 0.00 C ATOM 99 C ILE A 7 4.497 -7.727 2.611 1.00 0.00 C ATOM 100 O ILE A 7 3.737 -6.885 3.096 1.00 0.00 O ATOM 101 CB ILE A 7 3.751 -9.824 3.767 1.00 0.00 C ATOM 102 CG1 ILE A 7 4.205 -11.015 4.633 1.00 0.00 C ATOM 103 CG2 ILE A 7 3.056 -10.319 2.493 1.00 0.00 C ATOM 104 CD1 ILE A 7 3.079 -11.934 5.072 1.00 0.00 C ATOM 0 H ILE A 7 5.017 -8.138 5.337 1.00 0.00 H new ATOM 0 HA ILE A 7 5.670 -9.515 2.829 1.00 0.00 H new ATOM 0 HB ILE A 7 3.035 -9.233 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.937 -11.598 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.712 -10.633 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.209 -10.950 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.703 -9.465 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.761 -10.895 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.486 -12.745 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.357 -11.369 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.585 -12.349 4.194 1.00 0.00 H new ATOM 116 N GLU A 8 4.993 -7.650 1.407 1.00 0.00 N ATOM 117 CA GLU A 8 4.688 -6.579 0.507 1.00 0.00 C ATOM 118 C GLU A 8 3.694 -7.019 -0.536 1.00 0.00 C ATOM 119 O GLU A 8 3.913 -8.004 -1.252 1.00 0.00 O ATOM 120 CB GLU A 8 5.953 -6.065 -0.159 1.00 0.00 C ATOM 121 CG GLU A 8 6.890 -5.330 0.771 1.00 0.00 C ATOM 122 CD GLU A 8 8.199 -5.030 0.122 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.321 -4.049 -0.606 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.126 -5.825 0.281 1.00 0.00 O ATOM 0 H GLU A 8 5.632 -8.344 1.019 1.00 0.00 H new ATOM 0 HA GLU A 8 4.243 -5.770 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.485 -6.907 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.675 -5.400 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.424 -4.399 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.058 -5.930 1.665 1.00 0.00 H new ATOM 131 N LEU A 9 2.634 -6.283 -0.618 1.00 0.00 N ATOM 132 CA LEU A 9 1.569 -6.505 -1.558 1.00 0.00 C ATOM 133 C LEU A 9 1.453 -5.246 -2.368 1.00 0.00 C ATOM 134 O LEU A 9 1.976 -4.220 -1.961 1.00 0.00 O ATOM 135 CB LEU A 9 0.230 -6.754 -0.834 1.00 0.00 C ATOM 136 CG LEU A 9 0.172 -7.901 0.189 1.00 0.00 C ATOM 137 CD1 LEU A 9 -1.242 -8.045 0.724 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.644 -9.214 -0.422 1.00 0.00 C ATOM 0 H LEU A 9 2.474 -5.478 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 9 1.784 -7.380 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.050 -5.834 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.531 -6.942 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 9 0.844 -7.658 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.276 -8.859 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.544 -7.116 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.922 -8.263 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.591 -10.004 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.006 -9.472 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.674 -9.107 -0.764 1.00 0.00 H new ATOM 150 N GLU A 10 0.841 -5.302 -3.501 1.00 0.00 N ATOM 151 CA GLU A 10 0.663 -4.098 -4.266 1.00 0.00 C ATOM 152 C GLU A 10 -0.779 -3.685 -4.289 1.00 0.00 C ATOM 153 O GLU A 10 -1.672 -4.452 -3.882 1.00 0.00 O ATOM 154 CB GLU A 10 1.177 -4.207 -5.684 1.00 0.00 C ATOM 155 CG GLU A 10 2.645 -4.503 -5.814 1.00 0.00 C ATOM 156 CD GLU A 10 3.156 -4.062 -7.151 1.00 0.00 C ATOM 157 OE1 GLU A 10 2.592 -4.500 -8.191 1.00 0.00 O ATOM 158 OE2 GLU A 10 4.057 -3.213 -7.173 1.00 0.00 O ATOM 0 H GLU A 10 0.458 -6.149 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 10 1.259 -3.338 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.618 -4.990 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.964 -3.272 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.195 -3.994 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.819 -5.572 -5.687 1.00 0.00 H new ATOM 165 N GLY A 11 -1.000 -2.478 -4.719 1.00 0.00 N ATOM 166 CA GLY A 11 -2.317 -1.983 -4.874 1.00 0.00 C ATOM 167 C GLY A 11 -2.334 -0.747 -5.716 1.00 0.00 C ATOM 168 O GLY A 11 -1.282 -0.169 -6.007 1.00 0.00 O ATOM 0 H GLY A 11 -0.266 -1.816 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.944 -2.747 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.744 -1.765 -3.895 1.00 0.00 H new ATOM 172 N THR A 12 -3.496 -0.332 -6.070 1.00 0.00 N ATOM 173 CA THR A 12 -3.703 0.834 -6.865 1.00 0.00 C ATOM 174 C THR A 12 -4.237 1.926 -5.954 1.00 0.00 C ATOM 175 O THR A 12 -5.185 1.714 -5.218 1.00 0.00 O ATOM 176 CB THR A 12 -4.740 0.545 -7.954 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.372 -0.669 -8.643 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.799 1.694 -8.955 1.00 0.00 C ATOM 0 H THR A 12 -4.360 -0.807 -5.808 1.00 0.00 H new ATOM 0 HA THR A 12 -2.768 1.138 -7.337 1.00 0.00 H new ATOM 0 HB THR A 12 -5.720 0.434 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.032 -0.862 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.541 1.471 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.076 2.613 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.822 1.820 -9.422 1.00 0.00 H new ATOM 186 N VAL A 13 -3.628 3.054 -5.966 1.00 0.00 N ATOM 187 CA VAL A 13 -4.060 4.122 -5.102 1.00 0.00 C ATOM 188 C VAL A 13 -5.118 4.975 -5.763 1.00 0.00 C ATOM 189 O VAL A 13 -4.971 5.381 -6.902 1.00 0.00 O ATOM 190 CB VAL A 13 -2.877 4.948 -4.555 1.00 0.00 C ATOM 191 CG1 VAL A 13 -1.975 5.349 -5.656 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.335 6.165 -3.760 1.00 0.00 C ATOM 0 H VAL A 13 -2.828 3.275 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.528 3.665 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.329 4.308 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.146 5.931 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.587 4.459 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.526 5.953 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.464 6.712 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.931 6.815 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.938 5.840 -2.912 1.00 0.00 H new ATOM 202 N LEU A 14 -6.185 5.217 -5.056 1.00 0.00 N ATOM 203 CA LEU A 14 -7.275 5.979 -5.591 1.00 0.00 C ATOM 204 C LEU A 14 -7.311 7.400 -5.053 1.00 0.00 C ATOM 205 O LEU A 14 -7.675 8.314 -5.771 1.00 0.00 O ATOM 206 CB LEU A 14 -8.651 5.277 -5.430 1.00 0.00 C ATOM 207 CG LEU A 14 -9.177 4.972 -4.005 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.670 4.690 -4.067 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.484 3.754 -3.408 1.00 0.00 C ATOM 0 H LEU A 14 -6.323 4.894 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.083 6.042 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.396 5.895 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.604 4.333 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.971 5.840 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.042 4.475 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.189 5.561 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.852 3.831 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.875 3.566 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.669 2.885 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.411 3.938 -3.349 1.00 0.00 H new ATOM 221 N ASP A 15 -6.922 7.584 -3.803 1.00 0.00 N ATOM 222 CA ASP A 15 -7.055 8.897 -3.162 1.00 0.00 C ATOM 223 C ASP A 15 -5.862 9.230 -2.274 1.00 0.00 C ATOM 224 O ASP A 15 -5.115 8.334 -1.830 1.00 0.00 O ATOM 225 CB ASP A 15 -8.370 8.967 -2.393 1.00 0.00 C ATOM 226 CG ASP A 15 -8.591 10.238 -1.606 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.283 11.329 -2.133 1.00 0.00 O ATOM 228 OD2 ASP A 15 -9.032 10.128 -0.443 1.00 0.00 O ATOM 0 H ASP A 15 -6.516 6.858 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.068 9.656 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.192 8.849 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.416 8.122 -1.707 1.00 0.00 H new ATOM 233 N THR A 16 -5.701 10.488 -2.040 1.00 0.00 N ATOM 234 CA THR A 16 -4.592 11.057 -1.313 1.00 0.00 C ATOM 235 C THR A 16 -5.040 11.546 0.065 1.00 0.00 C ATOM 236 O THR A 16 -5.920 12.391 0.171 1.00 0.00 O ATOM 237 CB THR A 16 -4.012 12.242 -2.110 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.069 13.157 -2.453 1.00 0.00 O ATOM 239 CG2 THR A 16 -3.373 11.752 -3.382 1.00 0.00 C ATOM 0 H THR A 16 -6.366 11.191 -2.362 1.00 0.00 H new ATOM 0 HA THR A 16 -3.832 10.287 -1.180 1.00 0.00 H new ATOM 0 HB THR A 16 -3.265 12.742 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.731 13.178 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.967 12.599 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.568 11.057 -3.141 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.120 11.244 -3.992 1.00 0.00 H new ATOM 247 N LEU A 17 -4.416 11.055 1.107 1.00 0.00 N ATOM 248 CA LEU A 17 -4.812 11.422 2.442 1.00 0.00 C ATOM 249 C LEU A 17 -3.767 12.384 3.052 1.00 0.00 C ATOM 250 O LEU A 17 -2.583 12.351 2.682 1.00 0.00 O ATOM 251 CB LEU A 17 -4.959 10.185 3.345 1.00 0.00 C ATOM 252 CG LEU A 17 -5.840 9.016 2.874 1.00 0.00 C ATOM 253 CD1 LEU A 17 -6.017 8.013 3.997 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.184 9.488 2.343 1.00 0.00 C ATOM 0 H LEU A 17 -3.634 10.402 1.056 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.781 11.917 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.959 9.790 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.348 10.524 4.305 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.330 8.529 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.642 7.189 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.043 7.628 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.493 8.500 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.771 8.627 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.719 10.020 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.026 10.156 1.496 1.00 0.00 H new ATOM 266 N PRO A 18 -4.187 13.283 3.958 1.00 0.00 N ATOM 267 CA PRO A 18 -3.274 14.219 4.629 1.00 0.00 C ATOM 268 C PRO A 18 -2.126 13.521 5.402 1.00 0.00 C ATOM 269 O PRO A 18 -2.255 12.379 5.834 1.00 0.00 O ATOM 270 CB PRO A 18 -4.185 14.967 5.613 1.00 0.00 C ATOM 271 CG PRO A 18 -5.554 14.825 5.053 1.00 0.00 C ATOM 272 CD PRO A 18 -5.589 13.484 4.383 1.00 0.00 C ATOM 0 HA PRO A 18 -2.770 14.857 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.121 14.539 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.899 16.016 5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.306 14.888 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.769 15.622 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.919 12.701 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.272 13.476 3.534 1.00 0.00 H new ATOM 280 N ASN A 19 -0.999 14.241 5.519 1.00 0.00 N ATOM 281 CA ASN A 19 0.216 13.823 6.281 1.00 0.00 C ATOM 282 C ASN A 19 0.947 12.654 5.584 1.00 0.00 C ATOM 283 O ASN A 19 1.669 11.860 6.228 1.00 0.00 O ATOM 284 CB ASN A 19 -0.117 13.473 7.758 1.00 0.00 C ATOM 285 CG ASN A 19 1.085 13.616 8.717 1.00 0.00 C ATOM 286 OD1 ASN A 19 2.263 13.520 8.325 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.799 13.840 9.977 1.00 0.00 N ATOM 0 H ASN A 19 -0.892 15.155 5.080 1.00 0.00 H new ATOM 0 HA ASN A 19 0.891 14.678 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.924 14.120 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.488 12.449 7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.550 13.940 10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.174 13.915 10.274 1.00 0.00 H new ATOM 294 N ALA A 20 0.799 12.594 4.260 1.00 0.00 N ATOM 295 CA ALA A 20 1.479 11.609 3.397 1.00 0.00 C ATOM 296 C ALA A 20 0.887 10.205 3.552 1.00 0.00 C ATOM 297 O ALA A 20 1.589 9.174 3.410 1.00 0.00 O ATOM 298 CB ALA A 20 3.001 11.627 3.617 1.00 0.00 C ATOM 0 H ALA A 20 0.196 13.234 3.743 1.00 0.00 H new ATOM 0 HA ALA A 20 1.302 11.905 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.471 10.890 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.391 12.618 3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.221 11.386 4.657 1.00 0.00 H new ATOM 304 N MET A 21 -0.391 10.172 3.851 1.00 0.00 N ATOM 305 CA MET A 21 -1.162 8.948 3.868 1.00 0.00 C ATOM 306 C MET A 21 -1.775 8.779 2.494 1.00 0.00 C ATOM 307 O MET A 21 -2.020 9.755 1.804 1.00 0.00 O ATOM 308 CB MET A 21 -2.313 8.999 4.889 1.00 0.00 C ATOM 309 CG MET A 21 -2.012 8.659 6.323 1.00 0.00 C ATOM 310 SD MET A 21 -0.834 9.758 7.132 1.00 0.00 S ATOM 311 CE MET A 21 -0.969 9.221 8.833 1.00 0.00 C ATOM 0 H MET A 21 -0.932 11.003 4.092 1.00 0.00 H new ATOM 0 HA MET A 21 -0.499 8.127 4.142 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.732 10.005 4.867 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.094 8.321 4.544 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.944 8.671 6.887 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.626 7.641 6.366 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.297 9.811 9.455 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.994 9.356 9.177 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.698 8.168 8.905 1.00 0.00 H new ATOM 321 N PHE A 22 -1.999 7.584 2.085 1.00 0.00 N ATOM 322 CA PHE A 22 -2.637 7.342 0.819 1.00 0.00 C ATOM 323 C PHE A 22 -3.687 6.277 0.970 1.00 0.00 C ATOM 324 O PHE A 22 -3.519 5.326 1.757 1.00 0.00 O ATOM 325 CB PHE A 22 -1.618 6.989 -0.294 1.00 0.00 C ATOM 326 CG PHE A 22 -0.791 8.165 -0.768 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.328 8.578 -0.069 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.148 8.860 -1.910 1.00 0.00 C ATOM 329 CE1 PHE A 22 1.075 9.657 -0.498 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.402 9.940 -2.342 1.00 0.00 C ATOM 331 CZ PHE A 22 0.710 10.337 -1.634 1.00 0.00 C ATOM 0 H PHE A 22 -1.752 6.743 2.606 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.121 8.266 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.948 6.212 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.155 6.570 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.622 8.049 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.020 8.555 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.946 9.966 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.691 10.473 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.294 11.181 -1.971 1.00 0.00 H new ATOM 341 N LYS A 23 -4.777 6.454 0.267 1.00 0.00 N ATOM 342 CA LYS A 23 -5.855 5.510 0.276 1.00 0.00 C ATOM 343 C LYS A 23 -5.614 4.595 -0.896 1.00 0.00 C ATOM 344 O LYS A 23 -5.820 4.980 -2.065 1.00 0.00 O ATOM 345 CB LYS A 23 -7.189 6.247 0.112 1.00 0.00 C ATOM 346 CG LYS A 23 -8.438 5.378 0.196 1.00 0.00 C ATOM 347 CD LYS A 23 -9.684 6.202 -0.122 1.00 0.00 C ATOM 348 CE LYS A 23 -10.957 5.374 -0.046 1.00 0.00 C ATOM 349 NZ LYS A 23 -11.256 4.929 1.324 1.00 0.00 N ATOM 0 H LYS A 23 -4.938 7.265 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.899 4.952 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.253 7.019 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.186 6.755 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.357 4.546 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.523 4.949 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.753 7.036 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.590 6.629 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.793 5.962 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.860 4.504 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.018 4.221 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.404 4.507 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.558 5.744 1.896 1.00 0.00 H new ATOM 363 N VAL A 24 -5.143 3.429 -0.611 1.00 0.00 N ATOM 364 CA VAL A 24 -4.757 2.508 -1.667 1.00 0.00 C ATOM 365 C VAL A 24 -5.685 1.297 -1.672 1.00 0.00 C ATOM 366 O VAL A 24 -6.212 0.925 -0.651 1.00 0.00 O ATOM 367 CB VAL A 24 -3.248 2.076 -1.533 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.748 1.295 -2.732 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.339 3.269 -1.242 1.00 0.00 C ATOM 0 H VAL A 24 -5.010 3.076 0.337 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.856 3.022 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.207 1.402 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.703 1.026 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.343 0.389 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.839 1.908 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.307 2.928 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.416 3.992 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.644 3.739 -0.307 1.00 0.00 H new ATOM 379 N GLU A 25 -5.916 0.745 -2.824 1.00 0.00 N ATOM 380 CA GLU A 25 -6.756 -0.408 -2.988 1.00 0.00 C ATOM 381 C GLU A 25 -5.892 -1.571 -3.459 1.00 0.00 C ATOM 382 O GLU A 25 -5.311 -1.510 -4.525 1.00 0.00 O ATOM 383 CB GLU A 25 -7.839 -0.088 -4.016 1.00 0.00 C ATOM 384 CG GLU A 25 -8.849 -1.187 -4.255 1.00 0.00 C ATOM 385 CD GLU A 25 -9.839 -0.801 -5.331 1.00 0.00 C ATOM 386 OE1 GLU A 25 -10.853 -0.154 -5.001 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.588 -1.127 -6.508 1.00 0.00 O ATOM 0 H GLU A 25 -5.518 1.090 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.236 -0.678 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.370 0.807 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.357 0.152 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.332 -2.102 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.381 -1.402 -3.328 1.00 0.00 H new ATOM 394 N LEU A 26 -5.766 -2.592 -2.630 1.00 0.00 N ATOM 395 CA LEU A 26 -4.970 -3.785 -2.951 1.00 0.00 C ATOM 396 C LEU A 26 -5.510 -4.501 -4.179 1.00 0.00 C ATOM 397 O LEU A 26 -6.665 -4.322 -4.546 1.00 0.00 O ATOM 398 CB LEU A 26 -4.989 -4.792 -1.786 1.00 0.00 C ATOM 399 CG LEU A 26 -4.236 -4.428 -0.511 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.493 -5.484 0.555 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.745 -4.335 -0.787 1.00 0.00 C ATOM 0 H LEU A 26 -6.209 -2.627 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.955 -3.435 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.030 -4.973 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.586 -5.735 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.590 -3.460 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.954 -5.221 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.561 -5.534 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.149 -6.454 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.220 -4.074 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.382 -5.296 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.561 -3.568 -1.539 1.00 0.00 H new ATOM 413 N GLU A 27 -4.681 -5.387 -4.740 1.00 0.00 N ATOM 414 CA GLU A 27 -5.026 -6.249 -5.908 1.00 0.00 C ATOM 415 C GLU A 27 -6.336 -7.055 -5.626 1.00 0.00 C ATOM 416 O GLU A 27 -7.001 -7.541 -6.527 1.00 0.00 O ATOM 417 CB GLU A 27 -3.898 -7.282 -6.128 1.00 0.00 C ATOM 418 CG GLU A 27 -2.462 -6.742 -6.103 1.00 0.00 C ATOM 419 CD GLU A 27 -2.112 -5.788 -7.227 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.269 -4.568 -7.064 1.00 0.00 O ATOM 421 OE2 GLU A 27 -1.589 -6.240 -8.262 1.00 0.00 O ATOM 0 H GLU A 27 -3.731 -5.539 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.157 -5.606 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.986 -8.052 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.063 -7.768 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.298 -6.234 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.773 -7.586 -6.136 1.00 0.00 H new ATOM 428 N ASN A 28 -6.661 -7.182 -4.347 1.00 0.00 N ATOM 429 CA ASN A 28 -7.813 -7.941 -3.863 1.00 0.00 C ATOM 430 C ASN A 28 -9.106 -7.084 -3.866 1.00 0.00 C ATOM 431 O ASN A 28 -10.190 -7.597 -3.643 1.00 0.00 O ATOM 432 CB ASN A 28 -7.502 -8.409 -2.420 1.00 0.00 C ATOM 433 CG ASN A 28 -8.586 -9.261 -1.742 1.00 0.00 C ATOM 434 OD1 ASN A 28 -8.783 -9.160 -0.534 1.00 0.00 O ATOM 435 ND2 ASN A 28 -9.249 -10.125 -2.482 1.00 0.00 N ATOM 0 H ASN A 28 -6.120 -6.751 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.984 -8.790 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.575 -8.982 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.322 -7.528 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.948 -10.733 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.064 -10.187 -3.483 1.00 0.00 H new ATOM 442 N GLY A 29 -8.985 -5.794 -4.136 1.00 0.00 N ATOM 443 CA GLY A 29 -10.164 -4.925 -4.104 1.00 0.00 C ATOM 444 C GLY A 29 -10.458 -4.429 -2.694 1.00 0.00 C ATOM 445 O GLY A 29 -11.522 -3.899 -2.406 1.00 0.00 O ATOM 0 H GLY A 29 -8.109 -5.329 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.006 -4.072 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.028 -5.469 -4.486 1.00 0.00 H new ATOM 449 N HIS A 30 -9.530 -4.666 -1.799 1.00 0.00 N ATOM 450 CA HIS A 30 -9.653 -4.212 -0.437 1.00 0.00 C ATOM 451 C HIS A 30 -8.931 -2.899 -0.359 1.00 0.00 C ATOM 452 O HIS A 30 -7.829 -2.787 -0.881 1.00 0.00 O ATOM 453 CB HIS A 30 -8.927 -5.173 0.485 1.00 0.00 C ATOM 454 CG HIS A 30 -9.305 -5.108 1.952 1.00 0.00 C ATOM 455 ND1 HIS A 30 -8.908 -4.095 2.813 1.00 0.00 N ATOM 456 CD2 HIS A 30 -10.023 -5.968 2.717 1.00 0.00 C ATOM 457 CE1 HIS A 30 -9.353 -4.338 4.024 1.00 0.00 C ATOM 458 NE2 HIS A 30 -10.035 -5.465 4.000 1.00 0.00 N ATOM 0 H HIS A 30 -8.670 -5.178 -1.995 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.702 -4.138 -0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.105 -6.188 0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.856 -4.988 0.399 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -8.353 -3.282 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.498 -6.879 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.188 -3.719 4.893 1.00 0.00 H new ATOM 467 N GLU A 31 -9.458 -1.969 0.350 1.00 0.00 N ATOM 468 CA GLU A 31 -8.793 -0.715 0.470 1.00 0.00 C ATOM 469 C GLU A 31 -7.998 -0.752 1.729 1.00 0.00 C ATOM 470 O GLU A 31 -8.331 -1.491 2.671 1.00 0.00 O ATOM 471 CB GLU A 31 -9.730 0.492 0.470 1.00 0.00 C ATOM 472 CG GLU A 31 -10.644 0.604 1.674 1.00 0.00 C ATOM 473 CD GLU A 31 -11.051 2.034 1.893 1.00 0.00 C ATOM 474 OE1 GLU A 31 -10.212 2.830 2.383 1.00 0.00 O ATOM 475 OE2 GLU A 31 -12.176 2.438 1.522 1.00 0.00 O ATOM 0 H GLU A 31 -10.341 -2.046 0.854 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.162 -0.582 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.128 1.398 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.345 0.454 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.530 -0.014 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.136 0.224 2.560 1.00 0.00 H new ATOM 482 N ILE A 32 -6.935 -0.069 1.720 1.00 0.00 N ATOM 483 CA ILE A 32 -6.018 -0.049 2.794 1.00 0.00 C ATOM 484 C ILE A 32 -5.540 1.359 2.996 1.00 0.00 C ATOM 485 O ILE A 32 -5.491 2.164 2.046 1.00 0.00 O ATOM 486 CB ILE A 32 -4.790 -0.959 2.490 1.00 0.00 C ATOM 487 CG1 ILE A 32 -4.171 -0.541 1.151 1.00 0.00 C ATOM 488 CG2 ILE A 32 -5.223 -2.419 2.422 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.840 -1.167 0.842 1.00 0.00 C ATOM 0 H ILE A 32 -6.658 0.521 0.935 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.517 -0.420 3.689 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.054 -0.848 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.868 -0.793 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.056 0.543 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.357 -3.046 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.659 -2.714 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.963 -2.542 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.485 -0.809 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.122 -0.895 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.946 -2.251 0.811 1.00 0.00 H new ATOM 501 N LEU A 33 -5.205 1.680 4.196 1.00 0.00 N ATOM 502 CA LEU A 33 -4.662 2.961 4.449 1.00 0.00 C ATOM 503 C LEU A 33 -3.191 2.768 4.626 1.00 0.00 C ATOM 504 O LEU A 33 -2.747 2.024 5.520 1.00 0.00 O ATOM 505 CB LEU A 33 -5.298 3.543 5.705 1.00 0.00 C ATOM 506 CG LEU A 33 -6.827 3.654 5.669 1.00 0.00 C ATOM 507 CD1 LEU A 33 -7.364 4.110 7.012 1.00 0.00 C ATOM 508 CD2 LEU A 33 -7.275 4.612 4.575 1.00 0.00 C ATOM 0 H LEU A 33 -5.298 1.075 5.012 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.857 3.658 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.014 2.925 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.881 4.535 5.878 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.229 2.665 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.451 4.182 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.082 3.390 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.946 5.086 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.363 4.674 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.856 5.601 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.927 4.248 3.608 1.00 0.00 H new ATOM 520 N ALA A 34 -2.436 3.446 3.840 1.00 0.00 N ATOM 521 CA ALA A 34 -1.021 3.254 3.831 1.00 0.00 C ATOM 522 C ALA A 34 -0.300 4.569 3.900 1.00 0.00 C ATOM 523 O ALA A 34 -0.888 5.617 3.648 1.00 0.00 O ATOM 524 CB ALA A 34 -0.616 2.465 2.602 1.00 0.00 C ATOM 0 H ALA A 34 -2.775 4.150 3.184 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.737 2.683 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.465 2.322 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.111 1.494 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.910 3.011 1.706 1.00 0.00 H new ATOM 530 N HIS A 35 0.937 4.531 4.305 1.00 0.00 N ATOM 531 CA HIS A 35 1.730 5.732 4.393 1.00 0.00 C ATOM 532 C HIS A 35 2.943 5.575 3.494 1.00 0.00 C ATOM 533 O HIS A 35 3.426 4.475 3.305 1.00 0.00 O ATOM 534 CB HIS A 35 2.194 5.953 5.839 1.00 0.00 C ATOM 535 CG HIS A 35 2.649 7.357 6.133 1.00 0.00 C ATOM 536 ND1 HIS A 35 3.904 7.851 5.852 1.00 0.00 N ATOM 537 CD2 HIS A 35 1.980 8.370 6.689 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.966 9.106 6.231 1.00 0.00 C ATOM 539 NE2 HIS A 35 2.807 9.446 6.741 1.00 0.00 N ATOM 0 H HIS A 35 1.424 3.678 4.582 1.00 0.00 H new ATOM 0 HA HIS A 35 1.133 6.589 4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.377 5.699 6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.011 5.265 6.056 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.663 7.326 5.419 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.958 8.339 7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.827 9.751 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.567 10.364 7.114 1.00 0.00 H new ATOM 548 N VAL A 36 3.414 6.648 2.944 1.00 0.00 N ATOM 549 CA VAL A 36 4.623 6.623 2.127 1.00 0.00 C ATOM 550 C VAL A 36 5.875 6.703 2.964 1.00 0.00 C ATOM 551 O VAL A 36 5.851 7.237 4.091 1.00 0.00 O ATOM 552 CB VAL A 36 4.665 7.695 1.031 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.598 7.430 0.027 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.525 9.087 1.605 1.00 0.00 C ATOM 0 H VAL A 36 2.987 7.570 3.037 1.00 0.00 H new ATOM 0 HA VAL A 36 4.586 5.657 1.624 1.00 0.00 H new ATOM 0 HB VAL A 36 5.638 7.644 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.631 8.194 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.756 6.449 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.624 7.453 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.559 9.819 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.573 9.170 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.341 9.277 2.302 1.00 0.00 H new ATOM 564 N SER A 37 6.929 6.087 2.478 1.00 0.00 N ATOM 565 CA SER A 37 8.216 6.147 3.124 1.00 0.00 C ATOM 566 C SER A 37 8.705 7.600 3.096 1.00 0.00 C ATOM 567 O SER A 37 8.210 8.429 2.295 1.00 0.00 O ATOM 568 CB SER A 37 9.233 5.261 2.379 1.00 0.00 C ATOM 569 OG SER A 37 9.530 5.799 1.095 1.00 0.00 O ATOM 0 H SER A 37 6.916 5.531 1.623 1.00 0.00 H new ATOM 0 HA SER A 37 8.123 5.790 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.149 5.180 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.833 4.253 2.272 1.00 0.00 H new ATOM 0 HG SER A 37 10.179 5.222 0.641 1.00 0.00 H new ATOM 575 N GLY A 38 9.645 7.917 3.963 1.00 0.00 N ATOM 576 CA GLY A 38 10.198 9.252 4.010 1.00 0.00 C ATOM 577 C GLY A 38 10.825 9.683 2.688 1.00 0.00 C ATOM 578 O GLY A 38 10.905 10.870 2.406 1.00 0.00 O ATOM 0 H GLY A 38 10.041 7.268 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.411 9.956 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.952 9.300 4.796 1.00 0.00 H new ATOM 582 N LYS A 39 11.187 8.717 1.839 1.00 0.00 N ATOM 583 CA LYS A 39 11.856 9.044 0.603 1.00 0.00 C ATOM 584 C LYS A 39 10.861 9.564 -0.423 1.00 0.00 C ATOM 585 O LYS A 39 11.151 10.492 -1.164 1.00 0.00 O ATOM 586 CB LYS A 39 12.635 7.841 0.057 1.00 0.00 C ATOM 587 CG LYS A 39 13.392 8.147 -1.222 1.00 0.00 C ATOM 588 CD LYS A 39 14.235 6.978 -1.689 1.00 0.00 C ATOM 589 CE LYS A 39 14.949 7.315 -2.994 1.00 0.00 C ATOM 590 NZ LYS A 39 15.774 8.551 -2.877 1.00 0.00 N ATOM 0 H LYS A 39 11.026 7.721 1.992 1.00 0.00 H new ATOM 0 HA LYS A 39 12.577 9.835 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.340 7.499 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.941 7.021 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.683 8.416 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.034 9.013 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.968 6.723 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.603 6.101 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.587 6.480 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.213 7.445 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.580 8.494 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.193 9.380 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.126 8.643 -1.903 1.00 0.00 H new ATOM 604 N ILE A 40 9.687 8.988 -0.429 1.00 0.00 N ATOM 605 CA ILE A 40 8.642 9.377 -1.359 1.00 0.00 C ATOM 606 C ILE A 40 7.992 10.686 -0.910 1.00 0.00 C ATOM 607 O ILE A 40 7.546 11.497 -1.729 1.00 0.00 O ATOM 608 CB ILE A 40 7.605 8.232 -1.510 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.293 7.013 -2.145 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.380 8.665 -2.324 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.407 5.809 -2.321 1.00 0.00 C ATOM 0 H ILE A 40 9.422 8.236 0.207 1.00 0.00 H new ATOM 0 HA ILE A 40 9.080 9.552 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 40 7.235 7.967 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.687 7.302 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.146 6.732 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.682 7.831 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.890 9.502 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.695 8.970 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.979 5.000 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.033 5.487 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.567 6.067 -2.966 1.00 0.00 H new ATOM 623 N ARG A 41 7.978 10.902 0.394 1.00 0.00 N ATOM 624 CA ARG A 41 7.453 12.130 0.949 1.00 0.00 C ATOM 625 C ARG A 41 8.383 13.305 0.603 1.00 0.00 C ATOM 626 O ARG A 41 7.915 14.393 0.243 1.00 0.00 O ATOM 627 CB ARG A 41 7.276 12.010 2.478 1.00 0.00 C ATOM 628 CG ARG A 41 6.748 13.279 3.149 1.00 0.00 C ATOM 629 CD ARG A 41 6.504 13.076 4.641 1.00 0.00 C ATOM 630 NE ARG A 41 6.045 14.321 5.303 1.00 0.00 N ATOM 631 CZ ARG A 41 5.097 14.399 6.272 1.00 0.00 C ATOM 632 NH1 ARG A 41 4.436 13.310 6.660 1.00 0.00 N ATOM 633 NH2 ARG A 41 4.813 15.575 6.838 1.00 0.00 N ATOM 0 H ARG A 41 8.326 10.239 1.087 1.00 0.00 H new ATOM 0 HA ARG A 41 6.473 12.317 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.592 11.189 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.236 11.749 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.463 14.089 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.819 13.584 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.759 12.294 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.423 12.731 5.115 1.00 0.00 H new ATOM 0 HE ARG A 41 6.479 15.194 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.640 12.409 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.725 13.377 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.309 16.416 6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.101 15.632 7.566 1.00 0.00 H new ATOM 647 N MET A 42 9.680 13.088 0.749 1.00 0.00 N ATOM 648 CA MET A 42 10.678 14.120 0.455 1.00 0.00 C ATOM 649 C MET A 42 10.943 14.316 -1.047 1.00 0.00 C ATOM 650 O MET A 42 11.007 15.439 -1.528 1.00 0.00 O ATOM 651 CB MET A 42 12.003 13.856 1.186 1.00 0.00 C ATOM 652 CG MET A 42 11.907 13.854 2.707 1.00 0.00 C ATOM 653 SD MET A 42 11.253 15.394 3.385 1.00 0.00 S ATOM 654 CE MET A 42 11.347 15.049 5.141 1.00 0.00 C ATOM 0 H MET A 42 10.074 12.204 1.071 1.00 0.00 H new ATOM 0 HA MET A 42 10.240 15.046 0.827 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.395 12.893 0.860 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.726 14.614 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.271 13.027 3.023 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.897 13.672 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.977 15.908 5.701 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.738 14.175 5.373 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.383 14.854 5.418 1.00 0.00 H new ATOM 664 N ASN A 43 11.094 13.226 -1.787 1.00 0.00 N ATOM 665 CA ASN A 43 11.522 13.317 -3.190 1.00 0.00 C ATOM 666 C ASN A 43 10.372 13.535 -4.171 1.00 0.00 C ATOM 667 O ASN A 43 9.214 13.688 -3.787 1.00 0.00 O ATOM 668 CB ASN A 43 12.389 12.107 -3.629 1.00 0.00 C ATOM 669 CG ASN A 43 13.741 11.984 -2.904 1.00 0.00 C ATOM 670 OD1 ASN A 43 14.296 10.873 -2.775 1.00 0.00 O ATOM 671 ND2 ASN A 43 14.278 13.085 -2.423 1.00 0.00 N ATOM 0 H ASN A 43 10.931 12.277 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 43 12.144 14.212 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.820 11.192 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.573 12.180 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.170 13.044 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.802 13.979 -2.543 1.00 0.00 H new ATOM 678 N TYR A 44 10.713 13.550 -5.459 1.00 0.00 N ATOM 679 CA TYR A 44 9.754 13.809 -6.527 1.00 0.00 C ATOM 680 C TYR A 44 9.059 12.531 -6.999 1.00 0.00 C ATOM 681 O TYR A 44 8.179 12.575 -7.850 1.00 0.00 O ATOM 682 CB TYR A 44 10.435 14.523 -7.716 1.00 0.00 C ATOM 683 CG TYR A 44 11.520 13.714 -8.426 1.00 0.00 C ATOM 684 CD1 TYR A 44 12.828 13.686 -7.951 1.00 0.00 C ATOM 685 CD2 TYR A 44 11.227 12.983 -9.575 1.00 0.00 C ATOM 686 CE1 TYR A 44 13.808 12.955 -8.599 1.00 0.00 C ATOM 687 CE2 TYR A 44 12.200 12.253 -10.227 1.00 0.00 C ATOM 688 CZ TYR A 44 13.487 12.240 -9.736 1.00 0.00 C ATOM 689 OH TYR A 44 14.456 11.517 -10.388 1.00 0.00 O ATOM 0 H TYR A 44 11.663 13.383 -5.789 1.00 0.00 H new ATOM 0 HA TYR A 44 8.987 14.465 -6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.670 14.792 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.875 15.454 -7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 44 13.082 14.244 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 44 10.219 12.988 -9.963 1.00 0.00 H new ATOM 0 HE1 TYR A 44 14.818 12.944 -8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 44 11.954 11.695 -11.118 1.00 0.00 H new ATOM 0 HH TYR A 44 14.063 11.072 -11.168 1.00 0.00 H new ATOM 699 N ILE A 45 9.426 11.406 -6.420 1.00 0.00 N ATOM 700 CA ILE A 45 8.832 10.112 -6.775 1.00 0.00 C ATOM 701 C ILE A 45 7.510 9.924 -6.017 1.00 0.00 C ATOM 702 O ILE A 45 7.274 8.922 -5.355 1.00 0.00 O ATOM 703 CB ILE A 45 9.813 8.933 -6.497 1.00 0.00 C ATOM 704 CG1 ILE A 45 10.330 8.967 -5.040 1.00 0.00 C ATOM 705 CG2 ILE A 45 10.972 8.969 -7.490 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.219 7.795 -4.668 1.00 0.00 C ATOM 0 H ILE A 45 10.139 11.352 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 45 8.629 10.108 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 45 9.271 7.997 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.884 9.893 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.476 8.990 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.651 8.141 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.585 8.880 -8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.509 9.912 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.538 7.895 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.664 6.865 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.094 7.782 -5.317 1.00 0.00 H new ATOM 718 N ARG A 46 6.652 10.886 -6.196 1.00 0.00 N ATOM 719 CA ARG A 46 5.422 11.019 -5.461 1.00 0.00 C ATOM 720 C ARG A 46 4.321 10.166 -6.071 1.00 0.00 C ATOM 721 O ARG A 46 4.347 9.843 -7.268 1.00 0.00 O ATOM 722 CB ARG A 46 5.023 12.499 -5.395 1.00 0.00 C ATOM 723 CG ARG A 46 6.219 13.383 -5.071 1.00 0.00 C ATOM 724 CD ARG A 46 5.869 14.839 -4.840 1.00 0.00 C ATOM 725 NE ARG A 46 5.222 15.057 -3.540 1.00 0.00 N ATOM 726 CZ ARG A 46 5.900 15.174 -2.369 1.00 0.00 C ATOM 727 NH1 ARG A 46 7.203 14.903 -2.310 1.00 0.00 N ATOM 728 NH2 ARG A 46 5.260 15.524 -1.252 1.00 0.00 N ATOM 0 H ARG A 46 6.792 11.628 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 46 5.573 10.655 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.591 12.804 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.252 12.636 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.714 12.994 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.937 13.319 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.775 15.442 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.207 15.182 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 46 4.205 15.124 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.700 14.605 -3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.703 14.994 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.256 15.705 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.774 15.610 -0.375 1.00 0.00 H new ATOM 742 N ILE A 47 3.413 9.753 -5.235 1.00 0.00 N ATOM 743 CA ILE A 47 2.307 8.915 -5.624 1.00 0.00 C ATOM 744 C ILE A 47 1.094 9.767 -6.022 1.00 0.00 C ATOM 745 O ILE A 47 0.737 10.716 -5.323 1.00 0.00 O ATOM 746 CB ILE A 47 1.916 7.972 -4.465 1.00 0.00 C ATOM 747 CG1 ILE A 47 3.082 7.061 -4.093 1.00 0.00 C ATOM 748 CG2 ILE A 47 0.704 7.150 -4.821 1.00 0.00 C ATOM 749 CD1 ILE A 47 2.763 6.104 -2.973 1.00 0.00 C ATOM 0 H ILE A 47 3.417 9.992 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 47 2.619 8.321 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 47 1.668 8.590 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.383 6.492 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.935 7.675 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.451 6.495 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.136 7.812 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.919 6.547 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.637 5.488 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.491 6.667 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.930 5.465 -3.267 1.00 0.00 H new ATOM 761 N LEU A 48 0.505 9.436 -7.149 1.00 0.00 N ATOM 762 CA LEU A 48 -0.683 10.093 -7.661 1.00 0.00 C ATOM 763 C LEU A 48 -1.803 9.091 -7.862 1.00 0.00 C ATOM 764 O LEU A 48 -1.538 7.946 -8.213 1.00 0.00 O ATOM 765 CB LEU A 48 -0.433 10.889 -8.956 1.00 0.00 C ATOM 766 CG LEU A 48 0.041 12.340 -8.785 1.00 0.00 C ATOM 767 CD1 LEU A 48 1.447 12.427 -8.202 1.00 0.00 C ATOM 768 CD2 LEU A 48 -0.050 13.097 -10.099 1.00 0.00 C ATOM 0 H LEU A 48 0.844 8.686 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.978 10.821 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.310 10.354 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.356 10.897 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.629 12.811 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.735 13.473 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.465 11.950 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.148 11.920 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.291 14.122 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.578 12.609 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.084 13.104 -10.444 1.00 0.00 H new ATOM 780 N PRO A 49 -3.054 9.473 -7.525 1.00 0.00 N ATOM 781 CA PRO A 49 -4.239 8.620 -7.722 1.00 0.00 C ATOM 782 C PRO A 49 -4.273 7.991 -9.126 1.00 0.00 C ATOM 783 O PRO A 49 -4.151 8.689 -10.136 1.00 0.00 O ATOM 784 CB PRO A 49 -5.394 9.605 -7.565 1.00 0.00 C ATOM 785 CG PRO A 49 -4.880 10.629 -6.624 1.00 0.00 C ATOM 786 CD PRO A 49 -3.420 10.781 -6.939 1.00 0.00 C ATOM 0 HA PRO A 49 -4.265 7.781 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.671 10.048 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.284 9.114 -7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.407 11.575 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.026 10.318 -5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.244 11.598 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.837 10.997 -6.044 1.00 0.00 H new ATOM 794 N GLY A 50 -4.432 6.689 -9.163 1.00 0.00 N ATOM 795 CA GLY A 50 -4.439 5.954 -10.400 1.00 0.00 C ATOM 796 C GLY A 50 -3.165 5.158 -10.576 1.00 0.00 C ATOM 797 O GLY A 50 -3.084 4.281 -11.434 1.00 0.00 O ATOM 0 H GLY A 50 -4.560 6.111 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.296 5.281 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.556 6.645 -11.235 1.00 0.00 H new ATOM 801 N ASP A 51 -2.169 5.470 -9.768 1.00 0.00 N ATOM 802 CA ASP A 51 -0.881 4.790 -9.832 1.00 0.00 C ATOM 803 C ASP A 51 -0.903 3.494 -9.021 1.00 0.00 C ATOM 804 O ASP A 51 -1.743 3.320 -8.117 1.00 0.00 O ATOM 805 CB ASP A 51 0.254 5.683 -9.356 1.00 0.00 C ATOM 806 CG ASP A 51 1.424 5.670 -10.305 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.738 4.613 -10.887 1.00 0.00 O ATOM 808 OD2 ASP A 51 2.066 6.728 -10.504 1.00 0.00 O ATOM 0 H ASP A 51 -2.225 6.195 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.702 4.547 -10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.111 6.704 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.584 5.354 -8.370 1.00 0.00 H new ATOM 813 N LYS A 52 0.009 2.602 -9.327 1.00 0.00 N ATOM 814 CA LYS A 52 0.081 1.302 -8.664 1.00 0.00 C ATOM 815 C LYS A 52 1.324 1.299 -7.779 1.00 0.00 C ATOM 816 O LYS A 52 2.392 1.643 -8.233 1.00 0.00 O ATOM 817 CB LYS A 52 0.188 0.193 -9.722 1.00 0.00 C ATOM 818 CG LYS A 52 -0.105 -1.219 -9.217 1.00 0.00 C ATOM 819 CD LYS A 52 0.138 -2.244 -10.321 1.00 0.00 C ATOM 820 CE LYS A 52 -0.456 -3.616 -9.998 1.00 0.00 C ATOM 821 NZ LYS A 52 0.027 -4.185 -8.734 1.00 0.00 N ATOM 0 H LYS A 52 0.725 2.747 -10.039 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.811 1.125 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.501 0.421 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.194 0.210 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.529 -1.443 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.138 -1.282 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.293 -1.877 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.211 -2.347 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.542 -3.531 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.220 -4.304 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.191 -5.202 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.056 -4.049 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.441 -3.708 -7.937 1.00 0.00 H new ATOM 835 N VAL A 53 1.195 0.938 -6.530 1.00 0.00 N ATOM 836 CA VAL A 53 2.336 0.997 -5.622 1.00 0.00 C ATOM 837 C VAL A 53 2.478 -0.262 -4.788 1.00 0.00 C ATOM 838 O VAL A 53 1.514 -1.021 -4.618 1.00 0.00 O ATOM 839 CB VAL A 53 2.292 2.242 -4.689 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.393 3.528 -5.499 1.00 0.00 C ATOM 841 CG2 VAL A 53 1.018 2.248 -3.845 1.00 0.00 C ATOM 0 H VAL A 53 0.328 0.602 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 53 3.211 1.083 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 53 3.149 2.186 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.360 4.385 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.332 3.537 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.559 3.584 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.012 3.128 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.147 2.271 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.985 1.349 -3.230 1.00 0.00 H new ATOM 851 N THR A 54 3.669 -0.458 -4.266 1.00 0.00 N ATOM 852 CA THR A 54 4.000 -1.597 -3.459 1.00 0.00 C ATOM 853 C THR A 54 3.944 -1.189 -1.963 1.00 0.00 C ATOM 854 O THR A 54 4.522 -0.157 -1.566 1.00 0.00 O ATOM 855 CB THR A 54 5.428 -2.045 -3.810 1.00 0.00 C ATOM 856 OG1 THR A 54 5.621 -2.003 -5.251 1.00 0.00 O ATOM 857 CG2 THR A 54 5.690 -3.453 -3.305 1.00 0.00 C ATOM 0 H THR A 54 4.447 0.188 -4.398 1.00 0.00 H new ATOM 0 HA THR A 54 3.297 -2.410 -3.643 1.00 0.00 H new ATOM 0 HB THR A 54 6.128 -1.363 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.907 -2.510 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.706 -3.749 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.570 -3.479 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.982 -4.142 -3.766 1.00 0.00 H new ATOM 865 N VAL A 55 3.253 -1.973 -1.155 1.00 0.00 N ATOM 866 CA VAL A 55 3.064 -1.667 0.251 1.00 0.00 C ATOM 867 C VAL A 55 3.545 -2.828 1.144 1.00 0.00 C ATOM 868 O VAL A 55 3.232 -3.987 0.876 1.00 0.00 O ATOM 869 CB VAL A 55 1.541 -1.339 0.545 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.605 -2.537 0.309 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.349 -0.794 1.937 1.00 0.00 C ATOM 0 H VAL A 55 2.807 -2.840 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 55 3.665 -0.789 0.488 1.00 0.00 H new ATOM 0 HB VAL A 55 1.264 -0.570 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.422 -2.245 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.677 -2.856 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.896 -3.360 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.293 -0.581 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.689 -1.530 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.926 0.123 2.051 1.00 0.00 H new ATOM 881 N GLU A 56 4.318 -2.524 2.183 1.00 0.00 N ATOM 882 CA GLU A 56 4.700 -3.544 3.127 1.00 0.00 C ATOM 883 C GLU A 56 3.729 -3.456 4.258 1.00 0.00 C ATOM 884 O GLU A 56 3.426 -2.352 4.742 1.00 0.00 O ATOM 885 CB GLU A 56 6.175 -3.454 3.635 1.00 0.00 C ATOM 886 CG GLU A 56 6.537 -2.276 4.529 1.00 0.00 C ATOM 887 CD GLU A 56 7.959 -2.390 5.073 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.213 -3.210 5.948 1.00 0.00 O ATOM 889 OE2 GLU A 56 8.851 -1.627 4.645 1.00 0.00 O ATOM 0 H GLU A 56 4.682 -1.592 2.382 1.00 0.00 H new ATOM 0 HA GLU A 56 4.666 -4.511 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.401 -4.371 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.830 -3.430 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.437 -1.348 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.834 -2.221 5.360 1.00 0.00 H new ATOM 896 N MET A 57 3.182 -4.557 4.631 1.00 0.00 N ATOM 897 CA MET A 57 2.176 -4.568 5.644 1.00 0.00 C ATOM 898 C MET A 57 2.311 -5.721 6.587 1.00 0.00 C ATOM 899 O MET A 57 2.807 -6.800 6.230 1.00 0.00 O ATOM 900 CB MET A 57 0.777 -4.511 5.035 1.00 0.00 C ATOM 901 CG MET A 57 0.573 -5.390 3.834 1.00 0.00 C ATOM 902 SD MET A 57 -1.136 -5.396 3.268 1.00 0.00 S ATOM 903 CE MET A 57 -1.450 -3.649 3.092 1.00 0.00 C ATOM 0 H MET A 57 3.414 -5.474 4.248 1.00 0.00 H new ATOM 0 HA MET A 57 2.327 -3.666 6.238 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.052 -4.791 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.561 -3.480 4.754 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.219 -5.050 3.025 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.876 -6.408 4.077 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.209 -3.491 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.803 -3.245 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.530 -3.141 2.802 1.00 0.00 H new ATOM 913 N SER A 58 1.888 -5.480 7.786 1.00 0.00 N ATOM 914 CA SER A 58 1.912 -6.406 8.835 1.00 0.00 C ATOM 915 C SER A 58 0.770 -7.421 8.677 1.00 0.00 C ATOM 916 O SER A 58 -0.359 -7.041 8.370 1.00 0.00 O ATOM 917 CB SER A 58 1.774 -5.581 10.097 1.00 0.00 C ATOM 918 OG SER A 58 0.909 -4.482 9.837 1.00 0.00 O ATOM 0 H SER A 58 1.498 -4.578 8.058 1.00 0.00 H new ATOM 0 HA SER A 58 2.830 -6.994 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.374 -6.193 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.751 -5.223 10.422 1.00 0.00 H new ATOM 0 HG SER A 58 0.392 -4.275 10.643 1.00 0.00 H new ATOM 924 N PRO A 59 1.054 -8.734 8.869 1.00 0.00 N ATOM 925 CA PRO A 59 0.032 -9.808 8.761 1.00 0.00 C ATOM 926 C PRO A 59 -1.074 -9.675 9.815 1.00 0.00 C ATOM 927 O PRO A 59 -2.100 -10.327 9.733 1.00 0.00 O ATOM 928 CB PRO A 59 0.832 -11.098 9.004 1.00 0.00 C ATOM 929 CG PRO A 59 2.257 -10.731 8.772 1.00 0.00 C ATOM 930 CD PRO A 59 2.389 -9.290 9.162 1.00 0.00 C ATOM 0 HA PRO A 59 -0.478 -9.777 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.682 -11.468 10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.515 -11.890 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.922 -11.357 9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.531 -10.878 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.648 -9.181 10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.168 -8.788 8.589 1.00 0.00 H new ATOM 938 N TYR A 60 -0.827 -8.838 10.803 1.00 0.00 N ATOM 939 CA TYR A 60 -1.769 -8.588 11.877 1.00 0.00 C ATOM 940 C TYR A 60 -2.818 -7.562 11.430 1.00 0.00 C ATOM 941 O TYR A 60 -3.900 -7.471 12.007 1.00 0.00 O ATOM 942 CB TYR A 60 -0.982 -8.078 13.107 1.00 0.00 C ATOM 943 CG TYR A 60 -1.824 -7.669 14.302 1.00 0.00 C ATOM 944 CD1 TYR A 60 -2.403 -8.618 15.132 1.00 0.00 C ATOM 945 CD2 TYR A 60 -2.038 -6.324 14.593 1.00 0.00 C ATOM 946 CE1 TYR A 60 -3.171 -8.242 16.218 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.802 -5.941 15.674 1.00 0.00 C ATOM 948 CZ TYR A 60 -3.366 -6.901 16.483 1.00 0.00 C ATOM 949 OH TYR A 60 -4.134 -6.520 17.561 1.00 0.00 O ATOM 0 H TYR A 60 0.040 -8.308 10.884 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.296 -9.505 12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.291 -8.859 13.423 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.379 -7.223 12.801 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.251 -9.667 14.926 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.597 -5.568 13.960 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.616 -8.992 16.855 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.957 -4.893 15.885 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.170 -5.542 17.607 1.00 0.00 H new ATOM 959 N ASP A 61 -2.511 -6.850 10.368 1.00 0.00 N ATOM 960 CA ASP A 61 -3.391 -5.811 9.872 1.00 0.00 C ATOM 961 C ASP A 61 -3.853 -6.161 8.487 1.00 0.00 C ATOM 962 O ASP A 61 -5.024 -6.446 8.249 1.00 0.00 O ATOM 963 CB ASP A 61 -2.658 -4.450 9.777 1.00 0.00 C ATOM 964 CG ASP A 61 -2.118 -3.914 11.078 1.00 0.00 C ATOM 965 OD1 ASP A 61 -1.054 -4.418 11.531 1.00 0.00 O ATOM 966 OD2 ASP A 61 -2.695 -2.952 11.603 1.00 0.00 O ATOM 0 H ASP A 61 -1.654 -6.971 9.828 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.228 -5.734 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.831 -4.550 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.345 -3.715 9.358 1.00 0.00 H new ATOM 971 N LEU A 62 -2.889 -6.091 7.554 1.00 0.00 N ATOM 972 CA LEU A 62 -3.067 -6.290 6.100 1.00 0.00 C ATOM 973 C LEU A 62 -4.036 -5.233 5.522 1.00 0.00 C ATOM 974 O LEU A 62 -4.450 -5.289 4.368 1.00 0.00 O ATOM 975 CB LEU A 62 -3.559 -7.705 5.773 1.00 0.00 C ATOM 976 CG LEU A 62 -3.131 -8.249 4.404 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.663 -8.666 4.441 1.00 0.00 C ATOM 978 CD2 LEU A 62 -4.020 -9.402 3.971 1.00 0.00 C ATOM 0 H LEU A 62 -1.921 -5.885 7.800 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.090 -6.167 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.197 -8.385 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.648 -7.714 5.825 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.245 -7.456 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.369 -9.051 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.046 -7.803 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.524 -9.442 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.693 -9.768 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.953 -10.208 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.052 -9.059 3.902 1.00 0.00 H new ATOM 990 N THR A 63 -4.382 -4.274 6.341 1.00 0.00 N ATOM 991 CA THR A 63 -5.248 -3.213 5.953 1.00 0.00 C ATOM 992 C THR A 63 -4.560 -1.883 6.277 1.00 0.00 C ATOM 993 O THR A 63 -5.117 -0.784 6.097 1.00 0.00 O ATOM 994 CB THR A 63 -6.635 -3.340 6.668 1.00 0.00 C ATOM 995 OG1 THR A 63 -7.578 -2.409 6.118 1.00 0.00 O ATOM 996 CG2 THR A 63 -6.515 -3.115 8.179 1.00 0.00 C ATOM 0 H THR A 63 -4.061 -4.215 7.307 1.00 0.00 H new ATOM 0 HA THR A 63 -5.443 -3.260 4.882 1.00 0.00 H new ATOM 0 HB THR A 63 -6.991 -4.356 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.121 -1.569 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.498 -3.211 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.840 -3.857 8.605 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.122 -2.116 8.368 1.00 0.00 H new ATOM 1004 N ARG A 64 -3.331 -2.010 6.705 1.00 0.00 N ATOM 1005 CA ARG A 64 -2.502 -0.924 7.113 1.00 0.00 C ATOM 1006 C ARG A 64 -1.113 -1.283 6.649 1.00 0.00 C ATOM 1007 O ARG A 64 -0.730 -2.436 6.763 1.00 0.00 O ATOM 1008 CB ARG A 64 -2.540 -0.824 8.646 1.00 0.00 C ATOM 1009 CG ARG A 64 -1.803 0.359 9.245 1.00 0.00 C ATOM 1010 CD ARG A 64 -2.426 1.669 8.807 1.00 0.00 C ATOM 1011 NE ARG A 64 -1.815 2.826 9.477 1.00 0.00 N ATOM 1012 CZ ARG A 64 -2.168 4.101 9.273 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -3.067 4.400 8.324 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -1.613 5.079 10.009 1.00 0.00 N ATOM 0 H ARG A 64 -2.868 -2.916 6.779 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.824 0.032 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.582 -0.778 8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.120 -1.739 9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.821 0.290 10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.757 0.331 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.318 1.778 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.495 1.650 9.020 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.067 2.644 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.480 3.657 7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.338 5.371 8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.922 4.850 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.883 6.050 9.853 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.394 -0.347 6.088 1.00 0.00 N ATOM 1029 CA GLY A 65 0.926 -0.654 5.602 1.00 0.00 C ATOM 1030 C GLY A 65 1.697 0.598 5.251 1.00 0.00 C ATOM 1031 O GLY A 65 1.232 1.723 5.517 1.00 0.00 O ATOM 0 H GLY A 65 -0.693 0.619 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.471 -1.217 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.851 -1.294 4.723 1.00 0.00 H new ATOM 1035 N ARG A 66 2.847 0.422 4.649 1.00 0.00 N ATOM 1036 CA ARG A 66 3.650 1.521 4.189 1.00 0.00 C ATOM 1037 C ARG A 66 4.221 1.216 2.825 1.00 0.00 C ATOM 1038 O ARG A 66 4.675 0.117 2.579 1.00 0.00 O ATOM 1039 CB ARG A 66 4.782 1.871 5.169 1.00 0.00 C ATOM 1040 CG ARG A 66 5.802 2.831 4.547 1.00 0.00 C ATOM 1041 CD ARG A 66 6.892 3.289 5.485 1.00 0.00 C ATOM 1042 NE ARG A 66 7.460 2.208 6.314 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.091 1.110 5.863 1.00 0.00 C ATOM 1044 NH1 ARG A 66 8.306 0.926 4.565 1.00 0.00 N ATOM 1045 NH2 ARG A 66 8.513 0.187 6.719 1.00 0.00 N ATOM 0 H ARG A 66 3.253 -0.496 4.464 1.00 0.00 H new ATOM 0 HA ARG A 66 2.996 2.391 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.358 2.323 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.287 0.957 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.262 2.343 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.273 3.707 4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.692 3.745 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.493 4.064 6.139 1.00 0.00 H new ATOM 0 HE ARG A 66 7.365 2.303 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.991 1.624 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.787 0.086 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.358 0.311 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.992 -0.646 6.376 1.00 0.00 H new ATOM 1059 N ILE A 67 4.191 2.194 1.958 1.00 0.00 N ATOM 1060 CA ILE A 67 4.736 2.068 0.634 1.00 0.00 C ATOM 1061 C ILE A 67 6.252 2.003 0.690 1.00 0.00 C ATOM 1062 O ILE A 67 6.910 2.857 1.333 1.00 0.00 O ATOM 1063 CB ILE A 67 4.291 3.223 -0.322 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.827 3.091 -0.731 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.173 3.298 -1.543 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.833 3.449 0.340 1.00 0.00 C ATOM 0 H ILE A 67 3.784 3.108 2.154 1.00 0.00 H new ATOM 0 HA ILE A 67 4.339 1.140 0.223 1.00 0.00 H new ATOM 0 HB ILE A 67 4.399 4.152 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.649 3.727 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.645 2.064 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.836 4.111 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.203 3.480 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.118 2.357 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.821 3.324 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.976 2.797 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.980 4.486 0.641 1.00 0.00 H new ATOM 1078 N THR A 68 6.790 0.999 0.064 1.00 0.00 N ATOM 1079 CA THR A 68 8.213 0.816 -0.001 1.00 0.00 C ATOM 1080 C THR A 68 8.745 1.205 -1.369 1.00 0.00 C ATOM 1081 O THR A 68 9.890 1.642 -1.506 1.00 0.00 O ATOM 1082 CB THR A 68 8.525 -0.655 0.243 1.00 0.00 C ATOM 1083 OG1 THR A 68 7.644 -1.463 -0.573 1.00 0.00 O ATOM 1084 CG2 THR A 68 8.315 -0.991 1.688 1.00 0.00 C ATOM 0 H THR A 68 6.253 0.279 -0.419 1.00 0.00 H new ATOM 0 HA THR A 68 8.685 1.447 0.752 1.00 0.00 H new ATOM 0 HB THR A 68 9.564 -0.855 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.977 -2.384 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.540 -2.045 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.974 -0.378 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.278 -0.795 1.960 1.00 0.00 H new ATOM 1092 N TYR A 69 7.884 1.132 -2.350 1.00 0.00 N ATOM 1093 CA TYR A 69 8.245 1.398 -3.698 1.00 0.00 C ATOM 1094 C TYR A 69 7.034 1.869 -4.449 1.00 0.00 C ATOM 1095 O TYR A 69 5.926 1.367 -4.238 1.00 0.00 O ATOM 1096 CB TYR A 69 8.782 0.108 -4.332 1.00 0.00 C ATOM 1097 CG TYR A 69 9.217 0.234 -5.781 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.333 0.980 -6.135 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.501 -0.394 -6.794 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.722 1.097 -7.456 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.886 -0.282 -8.115 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.995 0.462 -8.440 1.00 0.00 C ATOM 1103 OH TYR A 69 10.378 0.578 -9.757 1.00 0.00 O ATOM 0 H TYR A 69 6.903 0.882 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 69 9.014 2.170 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.630 -0.242 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.010 -0.659 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.906 1.477 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.629 -0.979 -6.543 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.591 1.683 -7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.318 -0.777 -8.889 1.00 0.00 H new ATOM 0 HH TYR A 69 9.761 0.069 -10.323 1.00 0.00 H new ATOM 1113 N ARG A 70 7.216 2.846 -5.280 1.00 0.00 N ATOM 1114 CA ARG A 70 6.151 3.278 -6.112 1.00 0.00 C ATOM 1115 C ARG A 70 6.371 2.735 -7.519 1.00 0.00 C ATOM 1116 O ARG A 70 7.272 3.175 -8.251 1.00 0.00 O ATOM 1117 CB ARG A 70 5.953 4.805 -6.082 1.00 0.00 C ATOM 1118 CG ARG A 70 7.158 5.646 -6.506 1.00 0.00 C ATOM 1119 CD ARG A 70 6.730 6.657 -7.550 1.00 0.00 C ATOM 1120 NE ARG A 70 6.115 5.966 -8.676 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.978 6.321 -9.279 1.00 0.00 C ATOM 1122 NH1 ARG A 70 4.388 7.495 -9.036 1.00 0.00 N ATOM 1123 NH2 ARG A 70 4.418 5.500 -10.115 1.00 0.00 N ATOM 0 H ARG A 70 8.092 3.355 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 70 5.216 2.874 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.114 5.055 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.671 5.095 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.580 6.158 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.940 5.002 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.025 7.366 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.592 7.231 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 70 6.594 5.140 -9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.806 8.149 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.519 7.738 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.847 4.594 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.549 5.761 -10.581 1.00 0.00 H new ATOM 1137 N TYR A 71 5.582 1.766 -7.863 1.00 0.00 N ATOM 1138 CA TYR A 71 5.678 1.063 -9.120 1.00 0.00 C ATOM 1139 C TYR A 71 5.075 1.946 -10.208 1.00 0.00 C ATOM 1140 O TYR A 71 4.236 2.780 -9.924 1.00 0.00 O ATOM 1141 CB TYR A 71 4.889 -0.246 -8.978 1.00 0.00 C ATOM 1142 CG TYR A 71 5.149 -1.301 -10.034 1.00 0.00 C ATOM 1143 CD1 TYR A 71 4.405 -1.360 -11.208 1.00 0.00 C ATOM 1144 CD2 TYR A 71 6.132 -2.258 -9.835 1.00 0.00 C ATOM 1145 CE1 TYR A 71 4.640 -2.347 -12.151 1.00 0.00 C ATOM 1146 CE2 TYR A 71 6.376 -3.240 -10.769 1.00 0.00 C ATOM 1147 CZ TYR A 71 5.631 -3.283 -11.923 1.00 0.00 C ATOM 1148 OH TYR A 71 5.871 -4.277 -12.851 1.00 0.00 O ATOM 0 H TYR A 71 4.829 1.426 -7.265 1.00 0.00 H new ATOM 0 HA TYR A 71 6.711 0.837 -9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 71 5.112 -0.676 -8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.825 -0.008 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.633 -0.626 -11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.719 -2.233 -8.929 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.054 -2.385 -13.057 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.150 -3.973 -10.595 1.00 0.00 H new ATOM 0 HH TYR A 71 6.601 -4.850 -12.536 1.00 0.00 H new ATOM 1158 N LYS A 72 5.568 1.875 -11.397 1.00 0.00 N ATOM 1159 CA LYS A 72 4.970 2.630 -12.438 1.00 0.00 C ATOM 1160 C LYS A 72 4.491 1.675 -13.496 1.00 0.00 C ATOM 1161 O LYS A 72 5.330 1.097 -14.160 1.00 0.00 O ATOM 1162 CB LYS A 72 5.903 3.708 -13.003 1.00 0.00 C ATOM 1163 CG LYS A 72 5.182 4.964 -13.571 1.00 0.00 C ATOM 1164 CD LYS A 72 4.223 4.674 -14.740 1.00 0.00 C ATOM 1165 CE LYS A 72 2.725 4.863 -14.380 1.00 0.00 C ATOM 1166 NZ LYS A 72 2.215 3.918 -13.345 1.00 0.00 N ATOM 1167 OXT LYS A 72 3.261 1.562 -13.666 1.00 0.00 O ATOM 0 H LYS A 72 6.372 1.310 -11.668 1.00 0.00 H new ATOM 0 HA LYS A 72 4.122 3.184 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.588 4.024 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.509 3.266 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.621 5.440 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.934 5.680 -13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.473 5.330 -15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.379 3.651 -15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.575 5.884 -14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.129 4.747 -15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.178 3.869 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.616 2.973 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.496 4.252 -12.401 1.00 0.00 H new TER 1181 LYS A 72