USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 846 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 65 THR OG1 : rot -69:sc= 1.36 USER MOD Set 1.2: A 79 CYS SG : rot 17:sc= -0.0448 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.0945 K(o=-0.22,f=-0.86) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.125 X(o=-0.22,f=-0.29) USER MOD Set 3.1: A 23 CYS SG : rot 39:sc= 0.258 USER MOD Set 3.2: A 26 CYS SG : rot 76:sc= 0.824 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -138:sc= 1.15 (180deg=0) USER MOD Set 4.2: A 22 THR OG1 : rot 180:sc= 1.02 USER MOD Set 5.1: A 7 ASN : amide:sc= -0.181 X(o=-0.26,f=-0.26!) USER MOD Set 5.2: A 60 TYR OH : rot 110:sc= -0.0819 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot -28:sc= 0.0422 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 0.855 (180deg=0.322) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.703 K(o=-0.7,f=-5.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.23) USER MOD Single : A 49 THR OG1 : rot -64:sc= 1.3 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 53 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.016) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.85) USER MOD Single : A 63 GLN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -36:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.87 K(o=0.87,f=-1.4) USER MOD Single : A 91 GLN : amide:sc= 0.441 X(o=0.44,f=0) USER MOD Single : A 92 SER OG : rot -38:sc= 0.151 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00706 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 1.23 K(o=1.2,f=-3.8!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.360 15.395 -7.217 1.00 0.00 N ATOM 2 CA ALA A 2 -1.459 14.317 -7.684 1.00 0.00 C ATOM 3 C ALA A 2 -2.249 13.044 -7.999 1.00 0.00 C ATOM 4 O ALA A 2 -2.185 12.058 -7.265 1.00 0.00 O ATOM 5 CB ALA A 2 -0.304 14.061 -6.708 1.00 0.00 C ATOM 0 HA ALA A 2 -0.997 14.653 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.329 13.262 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.287 14.970 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.706 13.769 -5.738 1.00 0.00 H new ATOM 13 N GLN A 3 -3.003 13.067 -9.099 1.00 0.00 N ATOM 14 CA GLN A 3 -4.015 12.076 -9.438 1.00 0.00 C ATOM 15 C GLN A 3 -3.367 10.760 -9.883 1.00 0.00 C ATOM 16 O GLN A 3 -3.477 9.736 -9.204 1.00 0.00 O ATOM 17 CB GLN A 3 -4.947 12.652 -10.525 1.00 0.00 C ATOM 18 CG GLN A 3 -5.690 13.914 -10.052 1.00 0.00 C ATOM 19 CD GLN A 3 -6.500 14.592 -11.155 1.00 0.00 C ATOM 20 OE1 GLN A 3 -7.713 14.748 -11.046 1.00 0.00 O ATOM 21 NE2 GLN A 3 -5.862 15.062 -12.210 1.00 0.00 N ATOM 0 H GLN A 3 -2.920 13.803 -9.800 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.611 11.850 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.361 12.890 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.674 11.893 -10.816 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.358 13.647 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.966 14.625 -9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.854 14.930 -12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.377 15.557 -12.939 1.00 0.00 H new ATOM 30 N GLU A 4 -2.692 10.765 -11.035 1.00 0.00 N ATOM 31 CA GLU A 4 -2.198 9.545 -11.669 1.00 0.00 C ATOM 32 C GLU A 4 -1.009 8.968 -10.907 1.00 0.00 C ATOM 33 O GLU A 4 -0.767 7.769 -10.994 1.00 0.00 O ATOM 34 CB GLU A 4 -1.784 9.767 -13.132 1.00 0.00 C ATOM 35 CG GLU A 4 -2.823 10.489 -14.000 1.00 0.00 C ATOM 36 CD GLU A 4 -2.659 12.011 -14.013 1.00 0.00 C ATOM 37 OE1 GLU A 4 -2.104 12.585 -13.046 1.00 0.00 O ATOM 38 OE2 GLU A 4 -3.039 12.656 -15.015 1.00 0.00 O ATOM 0 H GLU A 4 -2.474 11.616 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.030 8.841 -11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.858 10.341 -13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.567 8.799 -13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.753 10.116 -15.022 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.821 10.242 -13.638 1.00 0.00 H new ATOM 45 N PHE A 5 -0.292 9.788 -10.130 1.00 0.00 N ATOM 46 CA PHE A 5 0.815 9.325 -9.295 1.00 0.00 C ATOM 47 C PHE A 5 0.320 8.204 -8.363 1.00 0.00 C ATOM 48 O PHE A 5 1.052 7.256 -8.099 1.00 0.00 O ATOM 49 CB PHE A 5 1.422 10.519 -8.530 1.00 0.00 C ATOM 50 CG PHE A 5 2.928 10.505 -8.272 1.00 0.00 C ATOM 51 CD1 PHE A 5 3.645 9.315 -8.021 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.623 11.732 -8.242 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.024 9.354 -7.747 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.002 11.771 -7.961 1.00 0.00 C ATOM 55 CZ PHE A 5 5.705 10.581 -7.717 1.00 0.00 C ATOM 0 H PHE A 5 -0.465 10.791 -10.065 1.00 0.00 H new ATOM 0 HA PHE A 5 1.610 8.904 -9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.185 11.428 -9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.917 10.592 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.130 8.366 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.091 12.652 -8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.561 8.436 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.520 12.718 -7.933 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.764 10.609 -7.507 1.00 0.00 H new ATOM 65 N VAL A 6 -0.944 8.254 -7.928 1.00 0.00 N ATOM 66 CA VAL A 6 -1.603 7.126 -7.294 1.00 0.00 C ATOM 67 C VAL A 6 -2.315 6.267 -8.346 1.00 0.00 C ATOM 68 O VAL A 6 -2.009 5.079 -8.470 1.00 0.00 O ATOM 69 CB VAL A 6 -2.515 7.644 -6.170 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.399 6.544 -5.582 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.668 8.224 -5.026 1.00 0.00 C ATOM 0 H VAL A 6 -1.533 9.083 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.878 6.461 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.151 8.408 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.023 6.962 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.034 6.130 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.771 5.755 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.324 8.588 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.015 7.448 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.063 9.048 -5.403 1.00 0.00 H new ATOM 81 N ASN A 7 -3.277 6.831 -9.089 1.00 0.00 N ATOM 82 CA ASN A 7 -4.245 6.031 -9.851 1.00 0.00 C ATOM 83 C ASN A 7 -3.607 5.180 -10.952 1.00 0.00 C ATOM 84 O ASN A 7 -4.164 4.139 -11.295 1.00 0.00 O ATOM 85 CB ASN A 7 -5.363 6.910 -10.457 1.00 0.00 C ATOM 86 CG ASN A 7 -6.595 7.061 -9.565 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.843 6.269 -8.657 1.00 0.00 O ATOM 88 ND2 ASN A 7 -7.428 8.057 -9.825 1.00 0.00 N ATOM 0 H ASN A 7 -3.405 7.839 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.678 5.346 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.958 7.900 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.670 6.481 -11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.278 8.169 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.220 8.712 -10.578 1.00 0.00 H new ATOM 95 N CYS A 8 -2.462 5.584 -11.506 1.00 0.00 N ATOM 96 CA CYS A 8 -1.735 4.831 -12.522 1.00 0.00 C ATOM 97 C CYS A 8 -0.769 3.821 -11.885 1.00 0.00 C ATOM 98 O CYS A 8 -0.387 2.843 -12.533 1.00 0.00 O ATOM 99 CB CYS A 8 -0.977 5.827 -13.412 1.00 0.00 C ATOM 100 SG CYS A 8 -0.262 5.018 -14.862 1.00 0.00 S ATOM 0 H CYS A 8 -2.008 6.462 -11.254 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.441 4.258 -13.123 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.656 6.617 -13.734 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.185 6.303 -12.833 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.008 3.774 -14.584 1.00 0.00 H new ATOM 106 N LYS A 9 -0.324 4.043 -10.642 1.00 0.00 N ATOM 107 CA LYS A 9 0.628 3.149 -9.984 1.00 0.00 C ATOM 108 C LYS A 9 -0.036 1.852 -9.553 1.00 0.00 C ATOM 109 O LYS A 9 0.615 0.812 -9.632 1.00 0.00 O ATOM 110 CB LYS A 9 1.310 3.848 -8.794 1.00 0.00 C ATOM 111 CG LYS A 9 2.509 4.684 -9.262 1.00 0.00 C ATOM 112 CD LYS A 9 3.759 3.826 -9.511 1.00 0.00 C ATOM 113 CE LYS A 9 4.719 4.557 -10.452 1.00 0.00 C ATOM 114 NZ LYS A 9 4.658 4.020 -11.827 1.00 0.00 N ATOM 0 H LYS A 9 -0.612 4.839 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 9 1.400 2.895 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.592 4.490 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.642 3.103 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.245 5.212 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.735 5.442 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.257 3.612 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.472 2.868 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.475 5.619 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.737 4.469 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.323 4.542 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.915 3.012 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.693 4.127 -12.199 1.00 0.00 H new ATOM 128 N ILE A 10 -1.283 1.884 -9.079 1.00 0.00 N ATOM 129 CA ILE A 10 -1.976 0.658 -8.707 1.00 0.00 C ATOM 130 C ILE A 10 -2.560 0.050 -9.980 1.00 0.00 C ATOM 131 O ILE A 10 -2.986 0.777 -10.876 1.00 0.00 O ATOM 132 CB ILE A 10 -3.089 0.889 -7.663 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.847 2.005 -6.619 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.321 -0.433 -6.911 1.00 0.00 C ATOM 135 CD1 ILE A 10 -4.028 2.980 -6.583 1.00 0.00 C ATOM 0 H ILE A 10 -1.825 2.738 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.261 -0.017 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.949 1.229 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.704 1.562 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.931 2.544 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.105 -0.295 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.624 -1.205 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.399 -0.736 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.836 3.756 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.152 3.438 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.937 2.441 -6.317 1.00 0.00 H new ATOM 147 N GLN A 11 -2.668 -1.274 -10.032 1.00 0.00 N ATOM 148 CA GLN A 11 -3.402 -1.994 -11.061 1.00 0.00 C ATOM 149 C GLN A 11 -3.949 -3.296 -10.439 1.00 0.00 C ATOM 150 O GLN A 11 -3.484 -3.691 -9.360 1.00 0.00 O ATOM 151 CB GLN A 11 -2.483 -2.174 -12.287 1.00 0.00 C ATOM 152 CG GLN A 11 -1.216 -3.001 -12.050 1.00 0.00 C ATOM 153 CD GLN A 11 -1.409 -4.448 -12.486 1.00 0.00 C ATOM 154 OE1 GLN A 11 -1.754 -5.306 -11.688 1.00 0.00 O ATOM 155 NE2 GLN A 11 -1.205 -4.738 -13.758 1.00 0.00 N ATOM 0 H GLN A 11 -2.236 -1.889 -9.342 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.272 -1.451 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.059 -2.645 -13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.189 -1.188 -12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.384 -2.561 -12.600 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.951 -2.970 -10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.917 -4.007 -14.408 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.335 -5.693 -14.090 1.00 0.00 H new ATOM 164 N PRO A 12 -4.974 -3.926 -11.037 1.00 0.00 N ATOM 165 CA PRO A 12 -5.580 -5.141 -10.517 1.00 0.00 C ATOM 166 C PRO A 12 -4.651 -6.320 -10.815 1.00 0.00 C ATOM 167 O PRO A 12 -4.460 -6.689 -11.975 1.00 0.00 O ATOM 168 CB PRO A 12 -6.939 -5.253 -11.210 1.00 0.00 C ATOM 169 CG PRO A 12 -6.713 -4.565 -12.555 1.00 0.00 C ATOM 170 CD PRO A 12 -5.637 -3.523 -12.267 1.00 0.00 C ATOM 0 HA PRO A 12 -5.725 -5.132 -9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.240 -6.293 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.724 -4.762 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.387 -5.275 -13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.628 -4.101 -12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.924 -3.468 -13.089 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.078 -2.532 -12.161 1.00 0.00 H new ATOM 178 N GLY A 13 -4.056 -6.889 -9.766 1.00 0.00 N ATOM 179 CA GLY A 13 -3.060 -7.930 -9.833 1.00 0.00 C ATOM 180 C GLY A 13 -1.669 -7.478 -9.385 1.00 0.00 C ATOM 181 O GLY A 13 -0.721 -8.245 -9.526 1.00 0.00 O ATOM 0 H GLY A 13 -4.274 -6.616 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.379 -8.766 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.001 -8.299 -10.857 1.00 0.00 H new ATOM 185 N LYS A 14 -1.517 -6.281 -8.814 1.00 0.00 N ATOM 186 CA LYS A 14 -0.319 -5.803 -8.114 1.00 0.00 C ATOM 187 C LYS A 14 -0.697 -5.386 -6.701 1.00 0.00 C ATOM 188 O LYS A 14 -1.880 -5.219 -6.393 1.00 0.00 O ATOM 189 CB LYS A 14 0.324 -4.643 -8.907 1.00 0.00 C ATOM 190 CG LYS A 14 1.853 -4.711 -9.018 1.00 0.00 C ATOM 191 CD LYS A 14 2.431 -3.573 -9.874 1.00 0.00 C ATOM 192 CE LYS A 14 3.836 -3.157 -9.406 1.00 0.00 C ATOM 193 NZ LYS A 14 4.888 -4.153 -9.695 1.00 0.00 N ATOM 0 H LYS A 14 -2.261 -5.584 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 14 0.421 -6.600 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.099 -4.629 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.049 -3.701 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.289 -4.668 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.141 -5.669 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.475 -3.889 -10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.764 -2.712 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.102 -2.214 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.810 -2.973 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.789 -3.665 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.995 -4.791 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.622 -4.705 -10.535 1.00 0.00 H new ATOM 207 N VAL A 15 0.296 -5.200 -5.843 1.00 0.00 N ATOM 208 CA VAL A 15 0.136 -4.801 -4.462 1.00 0.00 C ATOM 209 C VAL A 15 0.964 -3.536 -4.277 1.00 0.00 C ATOM 210 O VAL A 15 2.187 -3.578 -4.341 1.00 0.00 O ATOM 211 CB VAL A 15 0.597 -5.954 -3.557 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.353 -5.556 -2.104 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.132 -7.272 -3.865 1.00 0.00 C ATOM 0 H VAL A 15 1.273 -5.330 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.900 -4.589 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 15 1.657 -6.129 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.675 -6.364 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.919 -4.653 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.710 -5.366 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.231 -8.053 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.204 -7.138 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.059 -7.560 -4.899 1.00 0.00 H new ATOM 223 N VAL A 16 0.326 -2.390 -4.092 1.00 0.00 N ATOM 224 CA VAL A 16 1.006 -1.106 -4.118 1.00 0.00 C ATOM 225 C VAL A 16 0.796 -0.450 -2.760 1.00 0.00 C ATOM 226 O VAL A 16 -0.285 -0.555 -2.182 1.00 0.00 O ATOM 227 CB VAL A 16 0.503 -0.308 -5.336 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.239 1.022 -5.511 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.715 -1.145 -6.616 1.00 0.00 C ATOM 0 H VAL A 16 -0.677 -2.325 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 16 2.085 -1.181 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.552 -0.095 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.845 1.544 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.093 1.638 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.303 0.833 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.360 -0.584 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.776 -1.364 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.159 -2.079 -6.536 1.00 0.00 H new ATOM 239 N VAL A 17 1.830 0.187 -2.214 1.00 0.00 N ATOM 240 CA VAL A 17 1.759 0.835 -0.910 1.00 0.00 C ATOM 241 C VAL A 17 2.378 2.210 -1.047 1.00 0.00 C ATOM 242 O VAL A 17 3.573 2.328 -1.302 1.00 0.00 O ATOM 243 CB VAL A 17 2.453 0.017 0.193 1.00 0.00 C ATOM 244 CG1 VAL A 17 1.991 0.511 1.574 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.197 -1.489 0.075 1.00 0.00 C ATOM 0 H VAL A 17 2.741 0.267 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 17 0.716 0.913 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 17 3.525 0.169 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.485 -0.071 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.249 1.564 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.911 0.391 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.713 -2.010 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.127 -1.683 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.569 -1.847 -0.885 1.00 0.00 H new ATOM 255 N PHE A 18 1.570 3.251 -0.915 1.00 0.00 N ATOM 256 CA PHE A 18 2.068 4.616 -0.935 1.00 0.00 C ATOM 257 C PHE A 18 2.666 4.877 0.444 1.00 0.00 C ATOM 258 O PHE A 18 1.968 4.722 1.452 1.00 0.00 O ATOM 259 CB PHE A 18 0.915 5.550 -1.324 1.00 0.00 C ATOM 260 CG PHE A 18 0.415 5.218 -2.710 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.121 5.693 -3.831 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.681 4.353 -2.879 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.725 5.312 -5.122 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.074 3.972 -4.170 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.378 4.460 -5.289 1.00 0.00 C ATOM 0 H PHE A 18 0.560 3.174 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 18 2.849 4.793 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.102 5.454 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.250 6.587 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.967 6.351 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.218 3.984 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.267 5.673 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.912 3.304 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.693 4.178 -6.283 1.00 0.00 H new ATOM 275 N ILE A 19 3.961 5.193 0.497 1.00 0.00 N ATOM 276 CA ILE A 19 4.719 5.376 1.728 1.00 0.00 C ATOM 277 C ILE A 19 5.671 6.553 1.628 1.00 0.00 C ATOM 278 O ILE A 19 6.066 6.946 0.536 1.00 0.00 O ATOM 279 CB ILE A 19 5.548 4.117 2.047 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.546 3.684 0.946 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.629 2.962 2.448 1.00 0.00 C ATOM 282 CD1 ILE A 19 7.992 4.139 1.197 1.00 0.00 C ATOM 0 H ILE A 19 4.524 5.332 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 19 3.993 5.564 2.519 1.00 0.00 H new ATOM 0 HB ILE A 19 6.182 4.396 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.528 2.597 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.211 4.084 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.229 2.080 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.056 3.243 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.946 2.739 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.628 3.796 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.027 5.227 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.348 3.717 2.137 1.00 0.00 H new ATOM 294 N LYS A 20 6.122 7.052 2.776 1.00 0.00 N ATOM 295 CA LYS A 20 7.217 8.005 2.902 1.00 0.00 C ATOM 296 C LYS A 20 8.288 7.345 3.765 1.00 0.00 C ATOM 297 O LYS A 20 7.931 6.685 4.738 1.00 0.00 O ATOM 298 CB LYS A 20 6.709 9.328 3.504 1.00 0.00 C ATOM 299 CG LYS A 20 5.992 9.192 4.861 1.00 0.00 C ATOM 300 CD LYS A 20 5.041 10.360 5.150 1.00 0.00 C ATOM 301 CE LYS A 20 5.727 11.719 5.310 1.00 0.00 C ATOM 302 NZ LYS A 20 6.543 11.802 6.535 1.00 0.00 N ATOM 0 H LYS A 20 5.719 6.793 3.676 1.00 0.00 H new ATOM 0 HA LYS A 20 7.641 8.259 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.555 10.004 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.026 9.794 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.429 8.259 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.736 9.130 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.315 10.428 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.484 10.140 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.360 11.906 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.971 12.504 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.401 12.729 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.258 11.050 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.547 11.686 6.292 1.00 0.00 H new ATOM 316 N PRO A 21 9.584 7.531 3.479 1.00 0.00 N ATOM 317 CA PRO A 21 10.642 6.965 4.302 1.00 0.00 C ATOM 318 C PRO A 21 10.722 7.676 5.661 1.00 0.00 C ATOM 319 O PRO A 21 11.254 7.131 6.629 1.00 0.00 O ATOM 320 CB PRO A 21 11.918 7.144 3.478 1.00 0.00 C ATOM 321 CG PRO A 21 11.640 8.376 2.619 1.00 0.00 C ATOM 322 CD PRO A 21 10.132 8.309 2.386 1.00 0.00 C ATOM 0 HA PRO A 21 10.470 5.915 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.788 7.293 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.121 6.267 2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.928 9.295 3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.194 8.345 1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.697 9.308 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.907 7.843 1.427 1.00 0.00 H new ATOM 330 N THR A 22 10.177 8.886 5.756 1.00 0.00 N ATOM 331 CA THR A 22 10.143 9.734 6.933 1.00 0.00 C ATOM 332 C THR A 22 8.934 9.399 7.836 1.00 0.00 C ATOM 333 O THR A 22 8.425 10.271 8.552 1.00 0.00 O ATOM 334 CB THR A 22 10.185 11.185 6.427 1.00 0.00 C ATOM 335 OG1 THR A 22 9.145 11.418 5.492 1.00 0.00 O ATOM 336 CG2 THR A 22 11.503 11.506 5.712 1.00 0.00 C ATOM 0 H THR A 22 9.718 9.324 4.957 1.00 0.00 H new ATOM 0 HA THR A 22 11.000 9.567 7.585 1.00 0.00 H new ATOM 0 HB THR A 22 10.076 11.816 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.186 12.347 5.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.489 12.541 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.335 11.362 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.623 10.843 4.855 1.00 0.00 H new ATOM 344 N CYS A 23 8.450 8.150 7.773 1.00 0.00 N ATOM 345 CA CYS A 23 7.464 7.535 8.647 1.00 0.00 C ATOM 346 C CYS A 23 8.002 6.162 9.113 1.00 0.00 C ATOM 347 O CYS A 23 8.482 5.395 8.267 1.00 0.00 O ATOM 348 CB CYS A 23 6.166 7.382 7.846 1.00 0.00 C ATOM 349 SG CYS A 23 4.909 6.372 8.638 1.00 0.00 S ATOM 0 H CYS A 23 8.767 7.502 7.052 1.00 0.00 H new ATOM 0 HA CYS A 23 7.271 8.142 9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.752 8.373 7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.403 6.947 6.875 1.00 0.00 H new ATOM 0 HG CYS A 23 4.898 6.615 9.915 1.00 0.00 H new ATOM 354 N PRO A 24 7.900 5.809 10.411 1.00 0.00 N ATOM 355 CA PRO A 24 8.226 4.477 10.903 1.00 0.00 C ATOM 356 C PRO A 24 7.136 3.452 10.570 1.00 0.00 C ATOM 357 O PRO A 24 7.444 2.260 10.463 1.00 0.00 O ATOM 358 CB PRO A 24 8.360 4.634 12.421 1.00 0.00 C ATOM 359 CG PRO A 24 7.374 5.751 12.749 1.00 0.00 C ATOM 360 CD PRO A 24 7.462 6.652 11.515 1.00 0.00 C ATOM 0 HA PRO A 24 9.136 4.103 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.110 3.711 12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.377 4.898 12.709 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.365 5.368 12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.653 6.283 13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.495 7.104 11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.165 7.468 11.681 1.00 0.00 H new ATOM 368 N TYR A 25 5.881 3.878 10.393 1.00 0.00 N ATOM 369 CA TYR A 25 4.780 2.964 10.114 1.00 0.00 C ATOM 370 C TYR A 25 4.923 2.507 8.668 1.00 0.00 C ATOM 371 O TYR A 25 4.571 1.382 8.345 1.00 0.00 O ATOM 372 CB TYR A 25 3.416 3.642 10.299 1.00 0.00 C ATOM 373 CG TYR A 25 3.145 4.086 11.716 1.00 0.00 C ATOM 374 CD1 TYR A 25 3.654 5.326 12.139 1.00 0.00 C ATOM 375 CD2 TYR A 25 2.402 3.283 12.602 1.00 0.00 C ATOM 376 CE1 TYR A 25 3.443 5.761 13.453 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.177 3.721 13.919 1.00 0.00 C ATOM 378 CZ TYR A 25 2.693 4.968 14.344 1.00 0.00 C ATOM 379 OH TYR A 25 2.454 5.445 15.591 1.00 0.00 O ATOM 0 H TYR A 25 5.606 4.859 10.440 1.00 0.00 H new ATOM 0 HA TYR A 25 4.823 2.126 10.809 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.358 4.508 9.639 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.632 2.952 9.988 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.209 5.944 11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.006 2.334 12.271 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.855 6.703 13.783 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.612 3.107 14.605 1.00 0.00 H new ATOM 0 HH TYR A 25 1.924 4.792 16.095 1.00 0.00 H new ATOM 389 N CYS A 26 5.486 3.340 7.793 1.00 0.00 N ATOM 390 CA CYS A 26 5.810 2.937 6.442 1.00 0.00 C ATOM 391 C CYS A 26 6.827 1.789 6.471 1.00 0.00 C ATOM 392 O CYS A 26 6.602 0.760 5.836 1.00 0.00 O ATOM 393 CB CYS A 26 6.305 4.159 5.679 1.00 0.00 C ATOM 394 SG CYS A 26 4.884 5.238 5.316 1.00 0.00 S ATOM 0 H CYS A 26 5.726 4.308 8.008 1.00 0.00 H new ATOM 0 HA CYS A 26 4.931 2.555 5.922 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.047 4.697 6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.794 3.854 4.754 1.00 0.00 H new ATOM 0 HG CYS A 26 4.537 5.875 6.394 1.00 0.00 H new ATOM 400 N ARG A 27 7.909 1.907 7.254 1.00 0.00 N ATOM 401 CA ARG A 27 8.872 0.814 7.405 1.00 0.00 C ATOM 402 C ARG A 27 8.177 -0.427 7.965 1.00 0.00 C ATOM 403 O ARG A 27 8.447 -1.525 7.476 1.00 0.00 O ATOM 404 CB ARG A 27 10.060 1.238 8.283 1.00 0.00 C ATOM 405 CG ARG A 27 11.207 0.215 8.207 1.00 0.00 C ATOM 406 CD ARG A 27 12.159 0.301 9.398 1.00 0.00 C ATOM 407 NE ARG A 27 12.943 1.544 9.444 1.00 0.00 N ATOM 408 CZ ARG A 27 13.722 1.904 10.471 1.00 0.00 C ATOM 409 NH1 ARG A 27 13.783 1.139 11.557 1.00 0.00 N ATOM 410 NH2 ARG A 27 14.433 3.023 10.416 1.00 0.00 N ATOM 0 H ARG A 27 8.136 2.745 7.789 1.00 0.00 H new ATOM 0 HA ARG A 27 9.272 0.566 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.420 2.216 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.731 1.342 9.317 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.788 -0.790 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.769 0.374 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.583 0.212 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.843 -0.547 9.367 1.00 0.00 H new ATOM 0 HE ARG A 27 12.890 2.172 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.237 0.279 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.376 1.412 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.388 3.616 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.024 3.291 11.203 1.00 0.00 H new ATOM 424 N ARG A 28 7.279 -0.263 8.948 1.00 0.00 N ATOM 425 CA ARG A 28 6.469 -1.358 9.474 1.00 0.00 C ATOM 426 C ARG A 28 5.733 -2.037 8.337 1.00 0.00 C ATOM 427 O ARG A 28 5.862 -3.240 8.178 1.00 0.00 O ATOM 428 CB ARG A 28 5.456 -0.883 10.523 1.00 0.00 C ATOM 429 CG ARG A 28 4.645 -2.048 11.116 1.00 0.00 C ATOM 430 CD ARG A 28 5.009 -2.375 12.561 1.00 0.00 C ATOM 431 NE ARG A 28 6.215 -3.209 12.664 1.00 0.00 N ATOM 432 CZ ARG A 28 6.388 -4.221 13.518 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.504 -4.461 14.486 1.00 0.00 N ATOM 434 NH2 ARG A 28 7.459 -4.985 13.379 1.00 0.00 N ATOM 0 H ARG A 28 7.098 0.635 9.397 1.00 0.00 H new ATOM 0 HA ARG A 28 7.146 -2.058 9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.982 -0.363 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.776 -0.163 10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.584 -1.804 11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.798 -2.936 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.165 -1.447 13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.174 -2.890 13.035 1.00 0.00 H new ATOM 0 HE ARG A 28 6.985 -2.997 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.680 -3.867 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.651 -5.238 15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.128 -4.794 12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.616 -5.765 14.018 1.00 0.00 H new ATOM 448 N ALA A 29 4.916 -1.296 7.600 1.00 0.00 N ATOM 449 CA ALA A 29 4.091 -1.864 6.544 1.00 0.00 C ATOM 450 C ALA A 29 4.937 -2.650 5.547 1.00 0.00 C ATOM 451 O ALA A 29 4.510 -3.730 5.149 1.00 0.00 O ATOM 452 CB ALA A 29 3.272 -0.787 5.835 1.00 0.00 C ATOM 0 H ALA A 29 4.807 -0.289 7.717 1.00 0.00 H new ATOM 0 HA ALA A 29 3.392 -2.557 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.668 -1.246 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.619 -0.293 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.944 -0.052 5.391 1.00 0.00 H new ATOM 458 N GLN A 30 6.130 -2.167 5.186 1.00 0.00 N ATOM 459 CA GLN A 30 7.065 -2.910 4.376 1.00 0.00 C ATOM 460 C GLN A 30 7.418 -4.252 4.982 1.00 0.00 C ATOM 461 O GLN A 30 7.303 -5.249 4.286 1.00 0.00 O ATOM 462 CB GLN A 30 8.341 -2.087 4.129 1.00 0.00 C ATOM 463 CG GLN A 30 8.214 -1.356 2.804 1.00 0.00 C ATOM 464 CD GLN A 30 7.463 -0.038 2.892 1.00 0.00 C ATOM 465 OE1 GLN A 30 6.240 0.007 2.838 1.00 0.00 O ATOM 466 NE2 GLN A 30 8.193 1.060 2.998 1.00 0.00 N ATOM 0 H GLN A 30 6.464 -1.242 5.456 1.00 0.00 H new ATOM 0 HA GLN A 30 6.572 -3.105 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.490 -1.373 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.213 -2.741 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.212 -1.167 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.706 -2.005 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.210 0.994 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.739 1.973 3.037 1.00 0.00 H new ATOM 475 N GLU A 31 7.877 -4.302 6.227 1.00 0.00 N ATOM 476 CA GLU A 31 8.335 -5.567 6.801 1.00 0.00 C ATOM 477 C GLU A 31 7.140 -6.498 7.021 1.00 0.00 C ATOM 478 O GLU A 31 7.193 -7.665 6.644 1.00 0.00 O ATOM 479 CB GLU A 31 9.204 -5.327 8.058 1.00 0.00 C ATOM 480 CG GLU A 31 8.468 -4.616 9.204 1.00 0.00 C ATOM 481 CD GLU A 31 9.289 -4.256 10.441 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.492 -4.581 10.556 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.712 -3.596 11.339 1.00 0.00 O ATOM 0 H GLU A 31 7.943 -3.498 6.851 1.00 0.00 H new ATOM 0 HA GLU A 31 8.996 -6.078 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.575 -6.286 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.075 -4.734 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.032 -3.699 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.641 -5.251 9.520 1.00 0.00 H new ATOM 490 N ILE A 32 6.029 -5.952 7.515 1.00 0.00 N ATOM 491 CA ILE A 32 4.756 -6.632 7.695 1.00 0.00 C ATOM 492 C ILE A 32 4.340 -7.314 6.404 1.00 0.00 C ATOM 493 O ILE A 32 3.967 -8.486 6.449 1.00 0.00 O ATOM 494 CB ILE A 32 3.694 -5.619 8.187 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.772 -5.551 9.727 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.254 -5.890 7.724 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.710 -4.645 10.359 1.00 0.00 C ATOM 0 H ILE A 32 5.995 -4.977 7.813 1.00 0.00 H new ATOM 0 HA ILE A 32 4.854 -7.409 8.453 1.00 0.00 H new ATOM 0 HB ILE A 32 3.938 -4.662 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.666 -6.557 10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.760 -5.194 10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.592 -5.122 8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.213 -5.873 6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.934 -6.868 8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.828 -4.648 11.443 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.829 -3.629 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.717 -5.013 10.101 1.00 0.00 H new ATOM 509 N LEU A 33 4.320 -6.576 5.289 1.00 0.00 N ATOM 510 CA LEU A 33 3.805 -7.123 4.045 1.00 0.00 C ATOM 511 C LEU A 33 4.870 -8.043 3.459 1.00 0.00 C ATOM 512 O LEU A 33 4.558 -9.161 3.059 1.00 0.00 O ATOM 513 CB LEU A 33 3.459 -6.022 3.015 1.00 0.00 C ATOM 514 CG LEU A 33 1.996 -5.529 3.028 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.850 -4.312 2.124 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.041 -6.613 2.504 1.00 0.00 C ATOM 0 H LEU A 33 4.651 -5.613 5.229 1.00 0.00 H new ATOM 0 HA LEU A 33 2.883 -7.662 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.113 -5.168 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.687 -6.398 2.018 1.00 0.00 H new ATOM 0 HG LEU A 33 1.744 -5.282 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.815 -3.970 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.501 -3.514 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.129 -4.580 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.018 -6.238 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.312 -6.872 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.115 -7.499 3.135 1.00 0.00 H new ATOM 528 N SER A 34 6.119 -7.573 3.375 1.00 0.00 N ATOM 529 CA SER A 34 7.174 -8.255 2.636 1.00 0.00 C ATOM 530 C SER A 34 7.611 -9.566 3.318 1.00 0.00 C ATOM 531 O SER A 34 8.262 -10.393 2.676 1.00 0.00 O ATOM 532 CB SER A 34 8.333 -7.268 2.440 1.00 0.00 C ATOM 533 OG SER A 34 9.198 -7.620 1.378 1.00 0.00 O ATOM 0 H SER A 34 6.422 -6.707 3.820 1.00 0.00 H new ATOM 0 HA SER A 34 6.800 -8.564 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.926 -6.274 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.909 -7.208 3.363 1.00 0.00 H new ATOM 0 HG SER A 34 9.913 -6.953 1.303 1.00 0.00 H new ATOM 539 N GLN A 35 7.227 -9.802 4.579 1.00 0.00 N ATOM 540 CA GLN A 35 7.501 -11.057 5.269 1.00 0.00 C ATOM 541 C GLN A 35 6.616 -12.177 4.735 1.00 0.00 C ATOM 542 O GLN A 35 6.998 -13.345 4.841 1.00 0.00 O ATOM 543 CB GLN A 35 7.260 -10.891 6.780 1.00 0.00 C ATOM 544 CG GLN A 35 8.512 -10.335 7.466 1.00 0.00 C ATOM 545 CD GLN A 35 8.236 -9.695 8.827 1.00 0.00 C ATOM 546 OE1 GLN A 35 7.291 -10.034 9.543 1.00 0.00 O ATOM 547 NE2 GLN A 35 9.096 -8.782 9.233 1.00 0.00 N ATOM 0 H GLN A 35 6.717 -9.124 5.145 1.00 0.00 H new ATOM 0 HA GLN A 35 8.544 -11.320 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.418 -10.220 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.994 -11.852 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.234 -11.142 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.974 -9.594 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.873 -8.510 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.984 -8.347 10.149 1.00 0.00 H new ATOM 556 N LEU A 36 5.464 -11.874 4.136 1.00 0.00 N ATOM 557 CA LEU A 36 4.678 -12.879 3.444 1.00 0.00 C ATOM 558 C LEU A 36 5.367 -13.189 2.116 1.00 0.00 C ATOM 559 O LEU A 36 5.995 -12.296 1.539 1.00 0.00 O ATOM 560 CB LEU A 36 3.262 -12.349 3.187 1.00 0.00 C ATOM 561 CG LEU A 36 2.348 -12.299 4.422 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.953 -13.721 4.847 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.891 -11.546 5.637 1.00 0.00 C ATOM 0 H LEU A 36 5.060 -10.938 4.120 1.00 0.00 H new ATOM 0 HA LEU A 36 4.603 -13.782 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.337 -11.345 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.789 -12.974 2.430 1.00 0.00 H new ATOM 0 HG LEU A 36 1.487 -11.720 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.306 -13.672 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.423 -14.211 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.850 -14.290 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.158 -11.580 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.818 -12.013 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.084 -10.508 5.365 1.00 0.00 H new ATOM 575 N PRO A 37 5.251 -14.417 1.592 1.00 0.00 N ATOM 576 CA PRO A 37 5.583 -14.692 0.207 1.00 0.00 C ATOM 577 C PRO A 37 4.522 -13.997 -0.643 1.00 0.00 C ATOM 578 O PRO A 37 3.342 -14.338 -0.545 1.00 0.00 O ATOM 579 CB PRO A 37 5.548 -16.216 0.077 1.00 0.00 C ATOM 580 CG PRO A 37 4.504 -16.633 1.114 1.00 0.00 C ATOM 581 CD PRO A 37 4.655 -15.588 2.220 1.00 0.00 C ATOM 0 HA PRO A 37 6.559 -14.330 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.264 -16.528 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.521 -16.660 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.498 -16.629 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.690 -17.640 1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.688 -15.344 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.287 -15.962 3.026 1.00 0.00 H new ATOM 589 N ILE A 38 4.902 -12.983 -1.422 1.00 0.00 N ATOM 590 CA ILE A 38 3.994 -12.354 -2.367 1.00 0.00 C ATOM 591 C ILE A 38 4.731 -12.433 -3.700 1.00 0.00 C ATOM 592 O ILE A 38 5.949 -12.231 -3.744 1.00 0.00 O ATOM 593 CB ILE A 38 3.721 -10.915 -1.885 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.605 -11.035 -0.831 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.229 -9.991 -3.028 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.580 -9.870 0.150 1.00 0.00 C ATOM 0 H ILE A 38 5.840 -12.582 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 38 3.016 -12.826 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 38 4.639 -10.474 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.641 -11.097 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.735 -11.965 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.051 -8.990 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.987 -9.945 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.302 -10.388 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.771 -10.015 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.531 -9.821 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.420 -8.939 -0.394 1.00 0.00 H new ATOM 608 N LYS A 39 3.996 -12.757 -4.770 1.00 0.00 N ATOM 609 CA LYS A 39 4.535 -13.104 -6.081 1.00 0.00 C ATOM 610 C LYS A 39 5.579 -12.067 -6.469 1.00 0.00 C ATOM 611 O LYS A 39 5.300 -10.868 -6.402 1.00 0.00 O ATOM 612 CB LYS A 39 3.428 -13.261 -7.138 1.00 0.00 C ATOM 613 CG LYS A 39 2.912 -14.711 -7.290 1.00 0.00 C ATOM 614 CD LYS A 39 3.212 -15.343 -8.651 1.00 0.00 C ATOM 615 CE LYS A 39 2.578 -14.529 -9.793 1.00 0.00 C ATOM 616 NZ LYS A 39 3.555 -14.159 -10.837 1.00 0.00 N ATOM 0 H LYS A 39 2.977 -12.784 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 39 5.016 -14.081 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.592 -12.613 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.806 -12.917 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.358 -15.327 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.834 -14.720 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.290 -15.402 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.831 -16.364 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.772 -15.109 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.129 -13.624 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.077 -13.613 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.311 -13.583 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.966 -15.021 -11.249 1.00 0.00 H new ATOM 630 N GLN A 40 6.797 -12.513 -6.772 1.00 0.00 N ATOM 631 CA GLN A 40 7.950 -11.630 -6.778 1.00 0.00 C ATOM 632 C GLN A 40 7.719 -10.505 -7.788 1.00 0.00 C ATOM 633 O GLN A 40 7.449 -10.771 -8.966 1.00 0.00 O ATOM 634 CB GLN A 40 9.247 -12.420 -7.041 1.00 0.00 C ATOM 635 CG GLN A 40 10.454 -11.819 -6.301 1.00 0.00 C ATOM 636 CD GLN A 40 10.356 -12.048 -4.791 1.00 0.00 C ATOM 637 OE1 GLN A 40 10.689 -13.115 -4.281 1.00 0.00 O ATOM 638 NE2 GLN A 40 9.902 -11.065 -4.031 1.00 0.00 N ATOM 0 H GLN A 40 7.005 -13.481 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 40 8.073 -11.173 -5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.110 -13.455 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.450 -12.435 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.373 -12.266 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.512 -10.750 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.626 -10.179 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.828 -11.193 -3.022 1.00 0.00 H new ATOM 647 N GLY A 41 7.775 -9.262 -7.309 1.00 0.00 N ATOM 648 CA GLY A 41 7.527 -8.056 -8.083 1.00 0.00 C ATOM 649 C GLY A 41 6.137 -7.457 -7.867 1.00 0.00 C ATOM 650 O GLY A 41 5.931 -6.303 -8.238 1.00 0.00 O ATOM 0 H GLY A 41 8.003 -9.065 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.278 -7.309 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.654 -8.283 -9.142 1.00 0.00 H new ATOM 654 N LEU A 42 5.178 -8.158 -7.239 1.00 0.00 N ATOM 655 CA LEU A 42 3.859 -7.576 -7.065 1.00 0.00 C ATOM 656 C LEU A 42 3.891 -6.500 -5.996 1.00 0.00 C ATOM 657 O LEU A 42 3.049 -5.619 -6.071 1.00 0.00 O ATOM 658 CB LEU A 42 2.796 -8.577 -6.613 1.00 0.00 C ATOM 659 CG LEU A 42 2.414 -9.725 -7.549 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.036 -10.229 -7.124 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.363 -9.335 -9.015 1.00 0.00 C ATOM 0 H LEU A 42 5.295 -9.097 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 42 3.597 -7.189 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.135 -9.016 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.888 -8.016 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 42 3.187 -10.489 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.733 -11.050 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.079 -10.578 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.312 -9.418 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.085 -10.203 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.624 -8.546 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.343 -8.976 -9.330 1.00 0.00 H new ATOM 673 N LEU A 43 4.783 -6.564 -5.004 1.00 0.00 N ATOM 674 CA LEU A 43 4.791 -5.563 -3.946 1.00 0.00 C ATOM 675 C LEU A 43 5.590 -4.365 -4.454 1.00 0.00 C ATOM 676 O LEU A 43 6.761 -4.533 -4.797 1.00 0.00 O ATOM 677 CB LEU A 43 5.371 -6.109 -2.623 1.00 0.00 C ATOM 678 CG LEU A 43 4.565 -5.722 -1.362 1.00 0.00 C ATOM 679 CD1 LEU A 43 3.985 -4.299 -1.375 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.430 -6.712 -1.110 1.00 0.00 C ATOM 0 H LEU A 43 5.496 -7.288 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 43 3.767 -5.269 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.424 -7.196 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.393 -5.746 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 43 5.298 -5.755 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.437 -4.121 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.796 -3.576 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.310 -4.189 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.880 -6.415 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.756 -6.718 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.843 -7.710 -0.967 1.00 0.00 H new ATOM 692 N GLU A 44 4.984 -3.180 -4.523 1.00 0.00 N ATOM 693 CA GLU A 44 5.631 -1.948 -4.945 1.00 0.00 C ATOM 694 C GLU A 44 5.316 -0.842 -3.941 1.00 0.00 C ATOM 695 O GLU A 44 4.203 -0.320 -3.868 1.00 0.00 O ATOM 696 CB GLU A 44 5.281 -1.605 -6.398 1.00 0.00 C ATOM 697 CG GLU A 44 6.232 -0.494 -6.851 1.00 0.00 C ATOM 698 CD GLU A 44 6.129 -0.153 -8.338 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.017 0.077 -8.869 1.00 0.00 O ATOM 700 OE2 GLU A 44 7.199 -0.052 -8.982 1.00 0.00 O ATOM 0 H GLU A 44 4.002 -3.052 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 44 6.714 -2.072 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.386 -2.483 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.244 -1.277 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.028 0.404 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.256 -0.793 -6.628 1.00 0.00 H new ATOM 707 N PHE A 45 6.311 -0.522 -3.120 1.00 0.00 N ATOM 708 CA PHE A 45 6.244 0.522 -2.116 1.00 0.00 C ATOM 709 C PHE A 45 6.586 1.836 -2.821 1.00 0.00 C ATOM 710 O PHE A 45 7.750 2.077 -3.143 1.00 0.00 O ATOM 711 CB PHE A 45 7.201 0.174 -0.965 1.00 0.00 C ATOM 712 CG PHE A 45 7.123 -1.278 -0.525 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.031 -1.718 0.248 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.131 -2.191 -0.891 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.974 -3.045 0.705 1.00 0.00 C ATOM 716 CE2 PHE A 45 8.062 -3.525 -0.452 1.00 0.00 C ATOM 717 CZ PHE A 45 6.999 -3.944 0.366 1.00 0.00 C ATOM 0 H PHE A 45 7.212 -1.000 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 45 5.255 0.619 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.222 0.397 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.978 0.815 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.233 -1.032 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.956 -1.867 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.145 -3.373 1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.827 -4.229 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.970 -4.959 0.735 1.00 0.00 H new ATOM 727 N VAL A 46 5.590 2.647 -3.165 1.00 0.00 N ATOM 728 CA VAL A 46 5.748 3.864 -3.945 1.00 0.00 C ATOM 729 C VAL A 46 6.139 4.960 -2.962 1.00 0.00 C ATOM 730 O VAL A 46 5.322 5.389 -2.145 1.00 0.00 O ATOM 731 CB VAL A 46 4.451 4.176 -4.720 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.561 5.480 -5.526 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.133 3.035 -5.697 1.00 0.00 C ATOM 0 H VAL A 46 4.622 2.467 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 46 6.523 3.769 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 46 3.658 4.285 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.626 5.660 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.761 6.311 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.375 5.395 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.216 3.265 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.954 2.923 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.003 2.106 -5.142 1.00 0.00 H new ATOM 743 N ASP A 47 7.408 5.368 -3.018 1.00 0.00 N ATOM 744 CA ASP A 47 7.934 6.465 -2.221 1.00 0.00 C ATOM 745 C ASP A 47 7.289 7.768 -2.684 1.00 0.00 C ATOM 746 O ASP A 47 7.600 8.282 -3.763 1.00 0.00 O ATOM 747 CB ASP A 47 9.461 6.536 -2.314 1.00 0.00 C ATOM 748 CG ASP A 47 10.049 7.443 -1.234 1.00 0.00 C ATOM 749 OD1 ASP A 47 9.398 8.450 -0.863 1.00 0.00 O ATOM 750 OD2 ASP A 47 11.168 7.128 -0.763 1.00 0.00 O ATOM 0 H ASP A 47 8.104 4.937 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 47 7.689 6.297 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.879 5.534 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.749 6.907 -3.298 1.00 0.00 H new ATOM 755 N ILE A 48 6.346 8.283 -1.904 1.00 0.00 N ATOM 756 CA ILE A 48 5.622 9.505 -2.215 1.00 0.00 C ATOM 757 C ILE A 48 6.530 10.737 -2.112 1.00 0.00 C ATOM 758 O ILE A 48 6.209 11.783 -2.676 1.00 0.00 O ATOM 759 CB ILE A 48 4.342 9.618 -1.355 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.548 9.877 0.157 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.483 8.355 -1.550 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.285 10.393 0.858 1.00 0.00 C ATOM 0 H ILE A 48 6.060 7.855 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 48 5.297 9.461 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 48 3.843 10.516 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.871 8.953 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.351 10.602 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.580 8.432 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.209 8.260 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.052 7.477 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.496 10.555 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.974 11.333 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.486 9.659 0.756 1.00 0.00 H new ATOM 774 N THR A 49 7.675 10.637 -1.430 1.00 0.00 N ATOM 775 CA THR A 49 8.617 11.741 -1.285 1.00 0.00 C ATOM 776 C THR A 49 9.560 11.834 -2.492 1.00 0.00 C ATOM 777 O THR A 49 10.512 12.613 -2.471 1.00 0.00 O ATOM 778 CB THR A 49 9.352 11.664 0.066 1.00 0.00 C ATOM 779 OG1 THR A 49 10.283 10.608 0.182 1.00 0.00 O ATOM 780 CG2 THR A 49 8.387 11.573 1.254 1.00 0.00 C ATOM 0 H THR A 49 7.972 9.781 -0.962 1.00 0.00 H new ATOM 0 HA THR A 49 8.058 12.677 -1.274 1.00 0.00 H new ATOM 0 HB THR A 49 9.907 12.602 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.813 9.750 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.956 11.521 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.746 12.454 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.772 10.679 1.155 1.00 0.00 H new ATOM 788 N ALA A 50 9.306 11.059 -3.555 1.00 0.00 N ATOM 789 CA ALA A 50 10.115 11.028 -4.764 1.00 0.00 C ATOM 790 C ALA A 50 10.238 12.393 -5.458 1.00 0.00 C ATOM 791 O ALA A 50 11.214 12.580 -6.183 1.00 0.00 O ATOM 792 CB ALA A 50 9.549 9.966 -5.711 1.00 0.00 C ATOM 0 H ALA A 50 8.510 10.423 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 50 11.133 10.767 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.148 9.934 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.577 8.992 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.518 10.216 -5.963 1.00 0.00 H new ATOM 798 N THR A 51 9.323 13.342 -5.230 1.00 0.00 N ATOM 799 CA THR A 51 9.572 14.753 -5.520 1.00 0.00 C ATOM 800 C THR A 51 9.128 15.565 -4.295 1.00 0.00 C ATOM 801 O THR A 51 9.730 15.434 -3.226 1.00 0.00 O ATOM 802 CB THR A 51 8.909 15.172 -6.857 1.00 0.00 C ATOM 803 OG1 THR A 51 7.500 14.976 -6.847 1.00 0.00 O ATOM 804 CG2 THR A 51 9.466 14.422 -8.069 1.00 0.00 C ATOM 0 H THR A 51 8.398 13.153 -4.843 1.00 0.00 H new ATOM 0 HA THR A 51 10.632 14.951 -5.680 1.00 0.00 H new ATOM 0 HB THR A 51 9.144 16.233 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.125 15.255 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.959 14.762 -8.972 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.535 14.616 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.301 13.352 -7.942 1.00 0.00 H new ATOM 812 N ASN A 52 8.000 16.273 -4.380 1.00 0.00 N ATOM 813 CA ASN A 52 7.257 16.866 -3.272 1.00 0.00 C ATOM 814 C ASN A 52 5.761 16.576 -3.412 1.00 0.00 C ATOM 815 O ASN A 52 4.969 16.989 -2.566 1.00 0.00 O ATOM 816 CB ASN A 52 7.504 18.376 -3.201 1.00 0.00 C ATOM 817 CG ASN A 52 7.021 18.985 -1.884 1.00 0.00 C ATOM 818 OD1 ASN A 52 7.159 18.400 -0.813 1.00 0.00 O ATOM 819 ND2 ASN A 52 6.451 20.176 -1.913 1.00 0.00 N ATOM 0 H ASN A 52 7.556 16.457 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 52 7.612 16.416 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.569 18.573 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.995 18.864 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.127 20.607 -1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.335 20.664 -2.801 1.00 0.00 H new ATOM 826 N HIS A 53 5.340 15.828 -4.444 1.00 0.00 N ATOM 827 CA HIS A 53 3.949 15.428 -4.644 1.00 0.00 C ATOM 828 C HIS A 53 3.434 14.540 -3.503 1.00 0.00 C ATOM 829 O HIS A 53 2.251 14.233 -3.502 1.00 0.00 O ATOM 830 CB HIS A 53 3.755 14.761 -6.023 1.00 0.00 C ATOM 831 CG HIS A 53 3.616 15.706 -7.203 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.917 15.404 -8.516 1.00 0.00 N ATOM 833 CD2 HIS A 53 3.064 16.965 -7.200 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.562 16.453 -9.275 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.081 17.450 -8.516 1.00 0.00 N ATOM 0 H HIS A 53 5.969 15.482 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 53 3.345 16.335 -4.628 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.603 14.101 -6.208 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.866 14.132 -5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.684 17.489 -6.336 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.651 16.490 -10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.787 18.374 -8.832 1.00 0.00 H new ATOM 843 N THR A 54 4.263 14.174 -2.518 1.00 0.00 N ATOM 844 CA THR A 54 3.900 13.466 -1.294 1.00 0.00 C ATOM 845 C THR A 54 2.626 14.067 -0.734 1.00 0.00 C ATOM 846 O THR A 54 1.615 13.380 -0.660 1.00 0.00 O ATOM 847 CB THR A 54 5.030 13.427 -0.237 1.00 0.00 C ATOM 848 OG1 THR A 54 4.567 13.451 1.101 1.00 0.00 O ATOM 849 CG2 THR A 54 6.008 14.574 -0.378 1.00 0.00 C ATOM 0 H THR A 54 5.262 14.378 -2.561 1.00 0.00 H new ATOM 0 HA THR A 54 3.731 12.421 -1.555 1.00 0.00 H new ATOM 0 HB THR A 54 5.520 12.474 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.332 13.422 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.777 14.493 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.473 14.536 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.479 15.520 -0.263 1.00 0.00 H new ATOM 857 N ASN A 55 2.700 15.340 -0.346 1.00 0.00 N ATOM 858 CA ASN A 55 1.653 16.064 0.372 1.00 0.00 C ATOM 859 C ASN A 55 0.325 15.929 -0.374 1.00 0.00 C ATOM 860 O ASN A 55 -0.701 15.626 0.230 1.00 0.00 O ATOM 861 CB ASN A 55 2.042 17.539 0.578 1.00 0.00 C ATOM 862 CG ASN A 55 3.469 17.690 1.097 1.00 0.00 C ATOM 863 OD1 ASN A 55 3.820 17.178 2.160 1.00 0.00 O ATOM 864 ND2 ASN A 55 4.351 18.279 0.308 1.00 0.00 N ATOM 0 H ASN A 55 3.521 15.916 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 55 1.535 15.625 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.942 18.075 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.350 18.001 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.334 18.313 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.048 18.700 -0.571 1.00 0.00 H new ATOM 871 N GLU A 56 0.370 16.066 -1.700 1.00 0.00 N ATOM 872 CA GLU A 56 -0.777 15.916 -2.572 1.00 0.00 C ATOM 873 C GLU A 56 -1.223 14.455 -2.698 1.00 0.00 C ATOM 874 O GLU A 56 -2.415 14.214 -2.853 1.00 0.00 O ATOM 875 CB GLU A 56 -0.388 16.420 -3.965 1.00 0.00 C ATOM 876 CG GLU A 56 -0.742 17.888 -4.186 1.00 0.00 C ATOM 877 CD GLU A 56 -0.433 18.305 -5.624 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.709 17.524 -6.556 1.00 0.00 O ATOM 879 OE2 GLU A 56 0.055 19.442 -5.837 1.00 0.00 O ATOM 0 H GLU A 56 1.230 16.290 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.603 16.486 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.684 16.284 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.890 15.813 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.799 18.049 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.179 18.512 -3.492 1.00 0.00 H new ATOM 886 N ILE A 57 -0.305 13.485 -2.709 1.00 0.00 N ATOM 887 CA ILE A 57 -0.581 12.062 -2.900 1.00 0.00 C ATOM 888 C ILE A 57 -1.350 11.586 -1.670 1.00 0.00 C ATOM 889 O ILE A 57 -2.391 10.953 -1.816 1.00 0.00 O ATOM 890 CB ILE A 57 0.740 11.261 -3.082 1.00 0.00 C ATOM 891 CG1 ILE A 57 1.226 11.329 -4.543 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.553 9.780 -2.693 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.714 10.975 -4.677 1.00 0.00 C ATOM 0 H ILE A 57 0.688 13.679 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.170 11.900 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 57 1.482 11.715 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.635 10.645 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.056 12.332 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.493 9.246 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.248 9.714 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.214 9.332 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.010 11.037 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.309 11.675 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.881 9.962 -4.312 1.00 0.00 H new ATOM 905 N GLN A 58 -0.832 11.855 -0.465 1.00 0.00 N ATOM 906 CA GLN A 58 -1.529 11.524 0.770 1.00 0.00 C ATOM 907 C GLN A 58 -2.941 12.070 0.754 1.00 0.00 C ATOM 908 O GLN A 58 -3.911 11.333 0.901 1.00 0.00 O ATOM 909 CB GLN A 58 -0.769 11.944 2.037 1.00 0.00 C ATOM 910 CG GLN A 58 0.423 12.897 1.956 1.00 0.00 C ATOM 911 CD GLN A 58 0.777 13.451 3.322 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.425 14.575 3.662 1.00 0.00 O ATOM 913 NE2 GLN A 58 1.429 12.657 4.159 1.00 0.00 N ATOM 0 H GLN A 58 0.073 12.304 -0.326 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.581 10.436 0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.496 12.397 2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.417 11.031 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.283 12.373 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.190 13.717 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.714 11.725 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.645 12.978 5.103 1.00 0.00 H new ATOM 922 N ASP A 59 -3.026 13.374 0.572 1.00 0.00 N ATOM 923 CA ASP A 59 -4.292 14.080 0.470 1.00 0.00 C ATOM 924 C ASP A 59 -5.226 13.449 -0.568 1.00 0.00 C ATOM 925 O ASP A 59 -6.412 13.276 -0.287 1.00 0.00 O ATOM 926 CB ASP A 59 -4.052 15.564 0.174 1.00 0.00 C ATOM 927 CG ASP A 59 -3.931 16.390 1.454 1.00 0.00 C ATOM 928 OD1 ASP A 59 -4.711 16.145 2.397 1.00 0.00 O ATOM 929 OD2 ASP A 59 -3.032 17.258 1.542 1.00 0.00 O ATOM 0 H ASP A 59 -2.210 13.981 0.490 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.795 13.995 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.142 15.674 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.872 15.950 -0.431 1.00 0.00 H new ATOM 934 N TYR A 60 -4.712 13.051 -1.735 1.00 0.00 N ATOM 935 CA TYR A 60 -5.486 12.355 -2.756 1.00 0.00 C ATOM 936 C TYR A 60 -6.017 11.034 -2.221 1.00 0.00 C ATOM 937 O TYR A 60 -7.183 10.719 -2.432 1.00 0.00 O ATOM 938 CB TYR A 60 -4.647 12.124 -4.019 1.00 0.00 C ATOM 939 CG TYR A 60 -5.459 11.708 -5.226 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.367 12.618 -5.800 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.294 10.429 -5.789 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.099 12.256 -6.941 1.00 0.00 C ATOM 943 CE2 TYR A 60 -6.014 10.065 -6.940 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.915 10.985 -7.523 1.00 0.00 C ATOM 945 OH TYR A 60 -7.561 10.677 -8.676 1.00 0.00 O ATOM 0 H TYR A 60 -3.738 13.206 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.334 12.986 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.105 13.040 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.901 11.356 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.500 13.596 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.612 9.725 -5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.803 12.951 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.879 9.087 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.913 10.624 -9.410 1.00 0.00 H new ATOM 955 N LEU A 61 -5.197 10.266 -1.500 1.00 0.00 N ATOM 956 CA LEU A 61 -5.609 8.996 -0.918 1.00 0.00 C ATOM 957 C LEU A 61 -6.762 9.185 0.073 1.00 0.00 C ATOM 958 O LEU A 61 -7.560 8.259 0.209 1.00 0.00 O ATOM 959 CB LEU A 61 -4.440 8.268 -0.230 1.00 0.00 C ATOM 960 CG LEU A 61 -3.313 7.805 -1.170 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.020 7.536 -0.397 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.711 6.523 -1.899 1.00 0.00 C ATOM 0 H LEU A 61 -4.226 10.512 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.954 8.374 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.014 8.930 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.834 7.398 0.296 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.147 8.608 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.243 7.211 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.700 8.449 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.195 6.757 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.900 6.213 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.908 5.736 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.610 6.704 -2.489 1.00 0.00 H new ATOM 974 N GLN A 62 -6.917 10.341 0.730 1.00 0.00 N ATOM 975 CA GLN A 62 -8.110 10.599 1.533 1.00 0.00 C ATOM 976 C GLN A 62 -9.334 10.611 0.639 1.00 0.00 C ATOM 977 O GLN A 62 -10.257 9.829 0.864 1.00 0.00 O ATOM 978 CB GLN A 62 -7.966 11.878 2.359 1.00 0.00 C ATOM 979 CG GLN A 62 -9.184 12.263 3.204 1.00 0.00 C ATOM 980 CD GLN A 62 -10.186 13.080 2.399 1.00 0.00 C ATOM 981 OE1 GLN A 62 -11.243 12.586 2.024 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.842 14.307 2.054 1.00 0.00 N ATOM 0 H GLN A 62 -6.238 11.102 0.720 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.235 9.793 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.108 11.766 3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.741 12.702 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.667 11.361 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.859 12.836 4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.957 14.699 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.461 14.863 1.464 1.00 0.00 H new ATOM 991 N GLN A 63 -9.323 11.470 -0.373 1.00 0.00 N ATOM 992 CA GLN A 63 -10.428 11.618 -1.310 1.00 0.00 C ATOM 993 C GLN A 63 -10.771 10.260 -1.934 1.00 0.00 C ATOM 994 O GLN A 63 -11.937 9.870 -2.001 1.00 0.00 O ATOM 995 CB GLN A 63 -10.020 12.666 -2.362 1.00 0.00 C ATOM 996 CG GLN A 63 -11.205 13.340 -3.070 1.00 0.00 C ATOM 997 CD GLN A 63 -11.594 12.630 -4.363 1.00 0.00 C ATOM 998 OE1 GLN A 63 -11.134 12.990 -5.442 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.425 11.605 -4.308 1.00 0.00 N ATOM 0 H GLN A 63 -8.537 12.090 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.330 11.964 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.415 13.433 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.389 12.187 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.063 13.359 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.950 14.377 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.807 11.306 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.685 11.112 -5.163 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.746 9.565 -2.420 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.859 8.337 -3.199 1.00 0.00 C ATOM 1010 C LEU A 64 -10.193 7.125 -2.304 1.00 0.00 C ATOM 1011 O LEU A 64 -10.814 6.190 -2.812 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.555 8.152 -4.004 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.185 6.731 -4.471 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.056 6.300 -5.649 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.730 6.706 -4.932 1.00 0.00 C ATOM 0 H LEU A 64 -8.778 9.853 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.692 8.412 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.616 8.788 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.732 8.528 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.340 6.052 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.775 5.294 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.104 6.308 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.911 6.990 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.470 5.700 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.598 7.404 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.081 6.996 -4.105 1.00 0.00 H new ATOM 1027 N THR A 65 -9.786 7.077 -1.019 1.00 0.00 N ATOM 1028 CA THR A 65 -9.905 5.861 -0.193 1.00 0.00 C ATOM 1029 C THR A 65 -10.645 6.016 1.136 1.00 0.00 C ATOM 1030 O THR A 65 -11.216 5.030 1.602 1.00 0.00 O ATOM 1031 CB THR A 65 -8.550 5.163 0.059 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.742 5.798 1.032 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.703 5.007 -1.197 1.00 0.00 C ATOM 0 H THR A 65 -9.371 7.870 -0.531 1.00 0.00 H new ATOM 0 HA THR A 65 -10.535 5.231 -0.821 1.00 0.00 H new ATOM 0 HB THR A 65 -8.857 4.184 0.427 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.424 6.657 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.767 4.509 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.246 4.410 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.490 5.990 -1.616 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.628 7.193 1.766 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.236 7.429 3.070 1.00 0.00 C ATOM 1043 C GLY A 66 -10.247 7.879 4.144 1.00 0.00 C ATOM 1044 O GLY A 66 -10.682 8.123 5.269 1.00 0.00 O ATOM 0 H GLY A 66 -10.182 8.022 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.013 8.186 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.726 6.514 3.402 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.940 7.978 3.870 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.961 8.576 4.782 1.00 0.00 C ATOM 1050 C ALA A 67 -6.650 8.875 4.048 1.00 0.00 C ATOM 1051 O ALA A 67 -6.311 8.176 3.091 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.699 7.615 5.943 1.00 0.00 C ATOM 0 H ALA A 67 -8.530 7.641 2.999 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.362 9.515 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.971 8.057 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.630 7.429 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.309 6.674 5.555 1.00 0.00 H new ATOM 1058 N ARG A 68 -5.911 9.899 4.498 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.635 10.318 3.889 1.00 0.00 C ATOM 1060 C ARG A 68 -3.430 9.734 4.602 1.00 0.00 C ATOM 1061 O ARG A 68 -2.298 9.967 4.168 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.477 11.854 3.837 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.479 12.566 5.192 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.718 14.073 4.999 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.473 14.624 6.131 1.00 0.00 N ATOM 1066 CZ ARG A 68 -6.740 15.060 6.121 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -7.416 15.260 4.995 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -7.340 15.275 7.280 1.00 0.00 N ATOM 0 H ARG A 68 -6.182 10.466 5.301 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.672 9.929 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.543 12.088 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.284 12.264 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.256 12.146 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.528 12.403 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.763 14.589 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.265 14.244 4.072 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.980 14.681 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.972 15.081 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.380 15.593 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.838 15.109 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.304 15.607 7.301 1.00 0.00 H new ATOM 1082 N THR A 69 -3.625 9.077 5.739 1.00 0.00 N ATOM 1083 CA THR A 69 -2.516 8.543 6.495 1.00 0.00 C ATOM 1084 C THR A 69 -1.844 7.458 5.671 1.00 0.00 C ATOM 1085 O THR A 69 -2.492 6.604 5.064 1.00 0.00 O ATOM 1086 CB THR A 69 -2.998 8.066 7.870 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.307 7.517 7.797 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.012 9.282 8.800 1.00 0.00 C ATOM 0 H THR A 69 -4.542 8.905 6.151 1.00 0.00 H new ATOM 0 HA THR A 69 -1.767 9.310 6.693 1.00 0.00 H new ATOM 0 HB THR A 69 -2.331 7.287 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.587 7.220 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.351 8.979 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.007 9.697 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.688 10.038 8.401 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.525 7.543 5.643 1.00 0.00 N ATOM 1097 CA VAL A 70 0.384 6.612 5.021 1.00 0.00 C ATOM 1098 C VAL A 70 1.071 5.866 6.173 1.00 0.00 C ATOM 1099 O VAL A 70 1.243 6.472 7.236 1.00 0.00 O ATOM 1100 CB VAL A 70 1.341 7.378 4.082 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.693 7.467 2.696 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.664 8.824 4.526 1.00 0.00 C ATOM 0 H VAL A 70 -0.034 8.319 6.086 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.105 5.879 4.379 1.00 0.00 H new ATOM 0 HB VAL A 70 2.277 6.820 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.356 8.006 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.519 6.462 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.257 7.996 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.342 9.283 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.742 9.404 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.135 8.806 5.509 1.00 0.00 H new ATOM 1112 N PRO A 71 1.433 4.581 6.029 1.00 0.00 N ATOM 1113 CA PRO A 71 1.317 3.755 4.830 1.00 0.00 C ATOM 1114 C PRO A 71 -0.140 3.500 4.461 1.00 0.00 C ATOM 1115 O PRO A 71 -1.022 3.545 5.318 1.00 0.00 O ATOM 1116 CB PRO A 71 1.982 2.424 5.196 1.00 0.00 C ATOM 1117 CG PRO A 71 1.732 2.335 6.699 1.00 0.00 C ATOM 1118 CD PRO A 71 1.888 3.781 7.148 1.00 0.00 C ATOM 0 HA PRO A 71 1.780 4.247 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.536 1.586 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.046 2.423 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.738 1.946 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.449 1.678 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.296 3.981 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.925 4.006 7.396 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.389 3.228 3.182 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.729 3.023 2.657 1.00 0.00 C ATOM 1128 C ARG A 72 -1.656 1.885 1.656 1.00 0.00 C ATOM 1129 O ARG A 72 -1.043 2.058 0.601 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.219 4.341 2.047 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.710 4.282 1.684 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.454 5.512 2.210 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.620 5.450 3.667 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.708 5.093 4.352 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.856 4.822 3.728 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -5.618 5.019 5.676 1.00 0.00 N ATOM 0 H ARG A 72 0.344 3.144 2.477 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.448 2.745 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.049 5.154 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.636 4.567 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.822 4.221 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.154 3.378 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.905 6.414 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.432 5.580 1.733 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.806 5.711 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.911 4.886 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.678 4.551 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.735 5.232 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.432 4.749 6.228 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.168 0.714 2.028 1.00 0.00 N ATOM 1151 CA VAL A 73 -2.029 -0.498 1.236 1.00 0.00 C ATOM 1152 C VAL A 73 -3.178 -0.567 0.236 1.00 0.00 C ATOM 1153 O VAL A 73 -4.351 -0.527 0.607 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.973 -1.731 2.157 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -2.080 -3.044 1.364 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.659 -1.745 2.947 1.00 0.00 C ATOM 0 H VAL A 73 -2.693 0.582 2.892 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.094 -0.483 0.676 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.824 -1.660 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.036 -3.889 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.025 -3.066 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.254 -3.110 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.633 -2.622 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.182 -1.780 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.591 -0.843 3.555 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.816 -0.748 -1.028 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.677 -0.891 -2.180 1.00 0.00 C ATOM 1168 C PHE A 74 -3.399 -2.276 -2.773 1.00 0.00 C ATOM 1169 O PHE A 74 -2.457 -2.463 -3.544 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.381 0.264 -3.154 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.518 1.242 -3.345 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.704 0.805 -3.957 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -4.383 2.592 -2.969 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.752 1.708 -4.197 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.420 3.500 -3.240 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.604 3.059 -3.855 1.00 0.00 C ATOM 0 H PHE A 74 -1.831 -0.802 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.738 -0.831 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.509 0.809 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.116 -0.157 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.810 -0.231 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.484 2.929 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.672 1.362 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.307 4.541 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.399 3.760 -4.064 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.184 -3.277 -2.383 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.120 -4.609 -2.971 1.00 0.00 C ATOM 1188 C ILE A 75 -5.043 -4.555 -4.198 1.00 0.00 C ATOM 1189 O ILE A 75 -6.225 -4.258 -4.060 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.488 -5.683 -1.907 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.263 -6.399 -1.307 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.354 -6.819 -2.490 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.440 -5.640 -0.285 1.00 0.00 C ATOM 0 H ILE A 75 -4.885 -3.185 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.122 -4.902 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.018 -5.107 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.608 -7.323 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.603 -6.682 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.582 -7.541 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.282 -6.404 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.810 -7.315 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.612 -6.264 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.048 -4.729 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.068 -5.380 0.567 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.518 -4.835 -5.393 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.302 -5.031 -6.609 1.00 0.00 C ATOM 1207 C GLY A 76 -6.337 -3.931 -6.849 1.00 0.00 C ATOM 1208 O GLY A 76 -7.535 -4.196 -6.900 1.00 0.00 O ATOM 0 H GLY A 76 -3.514 -4.933 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.627 -5.077 -7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.812 -5.993 -6.553 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.860 -2.702 -7.049 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.624 -1.464 -7.171 1.00 0.00 C ATOM 1214 C LYS A 77 -7.735 -1.222 -6.134 1.00 0.00 C ATOM 1215 O LYS A 77 -8.534 -0.309 -6.348 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.107 -1.299 -8.631 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.798 0.127 -9.115 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.692 0.600 -10.269 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.301 -0.041 -11.605 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.350 0.133 -12.631 1.00 0.00 N ATOM 0 H LYS A 77 -4.857 -2.536 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.926 -0.666 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.613 -2.028 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.178 -1.492 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.908 0.816 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.756 0.175 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.731 0.360 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.627 1.685 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.370 0.401 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.113 -1.104 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.045 -0.315 -13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.232 -0.311 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.512 1.147 -12.793 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.726 -1.888 -4.975 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.623 -1.573 -3.858 1.00 0.00 C ATOM 1236 C ASP A 78 -7.820 -1.353 -2.566 1.00 0.00 C ATOM 1237 O ASP A 78 -6.871 -2.084 -2.270 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.686 -2.668 -3.719 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.950 -2.091 -3.088 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.949 -1.797 -1.877 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.957 -1.902 -3.811 1.00 0.00 O ATOM 0 H ASP A 78 -7.093 -2.665 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.146 -0.638 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.917 -3.088 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.302 -3.483 -3.105 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.123 -0.285 -1.828 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.407 0.100 -0.616 1.00 0.00 C ATOM 1248 C CYS A 79 -7.906 -0.725 0.566 1.00 0.00 C ATOM 1249 O CYS A 79 -9.100 -0.672 0.872 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.610 1.599 -0.372 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.438 2.206 0.871 1.00 0.00 S ATOM 0 H CYS A 79 -8.888 0.348 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.341 -0.095 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.475 2.147 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.631 1.784 -0.038 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.473 1.346 1.014 1.00 0.00 H new ATOM 1257 N ILE A 80 -7.042 -1.473 1.262 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.460 -2.214 2.438 1.00 0.00 C ATOM 1259 C ILE A 80 -7.442 -1.334 3.692 1.00 0.00 C ATOM 1260 O ILE A 80 -7.987 -1.755 4.710 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.668 -3.526 2.550 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.181 -3.385 2.907 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.813 -4.360 1.261 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.937 -3.051 4.380 1.00 0.00 C ATOM 0 H ILE A 80 -6.055 -1.575 1.026 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.504 -2.510 2.334 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.120 -4.036 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.667 -4.315 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.739 -2.605 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.245 -5.285 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.864 -4.596 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.432 -3.790 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.866 -2.966 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.422 -2.106 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.349 -3.843 5.006 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.846 -0.137 3.632 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.724 0.775 4.757 1.00 0.00 C ATOM 1278 C GLY A 81 -5.269 1.179 4.983 1.00 0.00 C ATOM 1279 O GLY A 81 -4.422 1.051 4.089 1.00 0.00 O ATOM 0 H GLY A 81 -6.428 0.225 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.327 1.664 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.117 0.302 5.657 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.005 1.727 6.170 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.687 2.175 6.591 1.00 0.00 C ATOM 1285 C GLY A 82 -3.003 1.126 7.458 1.00 0.00 C ATOM 1286 O GLY A 82 -3.286 -0.065 7.330 1.00 0.00 O ATOM 0 H GLY A 82 -5.723 1.873 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.073 2.384 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.777 3.108 7.147 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.066 1.548 8.312 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.267 0.642 9.119 1.00 0.00 C ATOM 1292 C CYS A 83 -2.131 -0.118 10.115 1.00 0.00 C ATOM 1293 O CYS A 83 -1.906 -1.309 10.308 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.140 1.393 9.848 1.00 0.00 C ATOM 1295 SG CYS A 83 1.304 0.298 9.977 1.00 0.00 S ATOM 0 H CYS A 83 -1.845 2.533 8.458 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.812 -0.081 8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.122 2.301 9.304 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -0.471 1.700 10.840 1.00 0.00 H new ATOM 0 HG CYS A 83 0.906 -0.923 10.176 1.00 0.00 H new ATOM 1301 N SER A 84 -3.089 0.547 10.762 1.00 0.00 N ATOM 1302 CA SER A 84 -3.873 -0.109 11.792 1.00 0.00 C ATOM 1303 C SER A 84 -4.734 -1.221 11.196 1.00 0.00 C ATOM 1304 O SER A 84 -4.752 -2.327 11.741 1.00 0.00 O ATOM 1305 CB SER A 84 -4.692 0.913 12.572 1.00 0.00 C ATOM 1306 OG SER A 84 -3.798 1.837 13.168 1.00 0.00 O ATOM 0 H SER A 84 -3.333 1.522 10.591 1.00 0.00 H new ATOM 0 HA SER A 84 -3.196 -0.585 12.502 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.386 1.430 11.909 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.291 0.417 13.336 1.00 0.00 H new ATOM 0 HG SER A 84 -4.307 2.505 13.674 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.393 -0.951 10.065 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.104 -1.963 9.286 1.00 0.00 C ATOM 1314 C ASP A 85 -5.127 -3.071 8.921 1.00 0.00 C ATOM 1315 O ASP A 85 -5.330 -4.225 9.292 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.706 -1.369 8.002 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.073 -0.743 8.237 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -9.068 -1.493 8.394 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -8.139 0.508 8.284 1.00 0.00 O ATOM 0 H ASP A 85 -5.447 -0.015 9.663 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.924 -2.353 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.028 -0.615 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.793 -2.152 7.249 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.044 -2.712 8.226 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.063 -3.644 7.692 1.00 0.00 C ATOM 1326 C LEU A 86 -2.574 -4.627 8.748 1.00 0.00 C ATOM 1327 O LEU A 86 -2.425 -5.805 8.433 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.882 -2.861 7.100 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.765 -3.760 6.546 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.270 -4.595 5.364 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.434 -2.882 6.175 1.00 0.00 C ATOM 0 H LEU A 86 -3.825 -1.738 8.017 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.545 -4.230 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.248 -2.216 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.466 -2.210 7.869 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.447 -4.474 7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.461 -5.223 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.097 -5.225 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.612 -3.932 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.235 -3.507 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.134 -2.157 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.788 -2.356 7.062 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.310 -4.172 9.974 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.883 -5.020 11.052 1.00 0.00 C ATOM 1345 C VAL A 87 -2.972 -6.058 11.339 1.00 0.00 C ATOM 1346 O VAL A 87 -2.621 -7.232 11.327 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.511 -4.112 12.239 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.348 -4.915 13.518 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.188 -3.363 11.999 1.00 0.00 C ATOM 0 H VAL A 87 -2.392 -3.189 10.234 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.994 -5.602 10.811 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.330 -3.399 12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.086 -4.245 14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.284 -5.423 13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.557 -5.654 13.386 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.036 -2.734 12.861 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.617 -4.084 11.856 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.279 -2.740 11.109 1.00 0.00 H new ATOM 1359 N SER A 88 -4.254 -5.696 11.531 1.00 0.00 N ATOM 1360 CA SER A 88 -5.313 -6.684 11.801 1.00 0.00 C ATOM 1361 C SER A 88 -5.273 -7.701 10.676 1.00 0.00 C ATOM 1362 O SER A 88 -5.221 -8.907 10.921 1.00 0.00 O ATOM 1363 CB SER A 88 -6.734 -6.098 11.715 1.00 0.00 C ATOM 1364 OG SER A 88 -7.394 -6.068 12.962 1.00 0.00 O ATOM 0 H SER A 88 -4.580 -4.730 11.504 1.00 0.00 H new ATOM 0 HA SER A 88 -5.131 -7.073 12.803 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.680 -5.086 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.323 -6.688 11.013 1.00 0.00 H new ATOM 0 HG SER A 88 -8.289 -5.686 12.849 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.341 -7.194 9.439 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.451 -8.041 8.283 1.00 0.00 C ATOM 1372 C LEU A 89 -4.252 -8.993 8.243 1.00 0.00 C ATOM 1373 O LEU A 89 -4.446 -10.158 7.911 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.623 -7.213 6.992 1.00 0.00 C ATOM 1375 CG LEU A 89 -7.040 -6.677 6.692 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.294 -5.290 7.272 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.254 -6.607 5.171 1.00 0.00 C ATOM 0 H LEU A 89 -5.320 -6.196 9.230 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.353 -8.649 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.942 -6.364 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.307 -7.828 6.149 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.737 -7.370 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.307 -4.972 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.177 -5.322 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.579 -4.583 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.254 -6.229 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.514 -5.940 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.146 -7.603 4.742 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.029 -8.548 8.552 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.853 -9.390 8.376 1.00 0.00 C ATOM 1391 C GLN A 90 -1.852 -10.437 9.501 1.00 0.00 C ATOM 1392 O GLN A 90 -1.650 -11.623 9.241 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.558 -8.550 8.415 1.00 0.00 C ATOM 1394 CG GLN A 90 0.676 -9.406 8.053 1.00 0.00 C ATOM 1395 CD GLN A 90 1.653 -9.678 9.193 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.270 -10.145 10.260 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.943 -9.484 8.971 1.00 0.00 N ATOM 0 H GLN A 90 -2.834 -7.617 8.922 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.889 -9.879 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.642 -7.716 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.428 -8.123 9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.329 -10.362 7.661 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.216 -8.908 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.254 -9.095 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.626 -9.723 9.690 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.065 -10.004 10.749 1.00 0.00 N ATOM 1407 CA GLN A 91 -1.879 -10.812 11.939 1.00 0.00 C ATOM 1408 C GLN A 91 -3.021 -11.814 12.107 1.00 0.00 C ATOM 1409 O GLN A 91 -2.778 -12.911 12.605 1.00 0.00 O ATOM 1410 CB GLN A 91 -1.842 -9.861 13.148 1.00 0.00 C ATOM 1411 CG GLN A 91 -0.570 -9.994 13.973 1.00 0.00 C ATOM 1412 CD GLN A 91 -0.598 -11.012 15.109 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -0.061 -10.741 16.175 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -1.182 -12.190 14.936 1.00 0.00 N ATOM 0 H GLN A 91 -2.380 -9.056 10.954 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.951 -11.378 11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.935 -8.833 12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.704 -10.059 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.247 -10.256 13.300 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.334 -9.017 14.396 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.628 -12.412 14.046 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.185 -12.874 15.693 1.00 0.00 H new ATOM 1423 N SER A 92 -4.248 -11.428 11.745 1.00 0.00 N ATOM 1424 CA SER A 92 -5.436 -12.271 11.799 1.00 0.00 C ATOM 1425 C SER A 92 -5.690 -12.956 10.451 1.00 0.00 C ATOM 1426 O SER A 92 -6.632 -13.739 10.343 1.00 0.00 O ATOM 1427 CB SER A 92 -6.640 -11.418 12.221 1.00 0.00 C ATOM 1428 OG SER A 92 -7.705 -12.238 12.653 1.00 0.00 O ATOM 0 H SER A 92 -4.443 -10.490 11.396 1.00 0.00 H new ATOM 0 HA SER A 92 -5.281 -13.060 12.535 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.348 -10.740 13.023 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.966 -10.801 11.384 1.00 0.00 H new ATOM 0 HG SER A 92 -7.755 -13.036 12.086 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.880 -12.673 9.429 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.876 -13.398 8.174 1.00 0.00 C ATOM 1436 C GLY A 93 -5.891 -12.912 7.143 1.00 0.00 C ATOM 1437 O GLY A 93 -5.890 -13.474 6.047 1.00 0.00 O ATOM 0 H GLY A 93 -4.197 -11.916 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.879 -13.334 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.066 -14.451 8.380 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.712 -11.880 7.404 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.669 -11.412 6.399 1.00 0.00 C ATOM 1443 C GLU A 94 -6.928 -10.918 5.142 1.00 0.00 C ATOM 1444 O GLU A 94 -7.357 -11.138 4.009 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.552 -10.342 7.062 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.464 -9.532 6.135 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.664 -10.313 5.608 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.481 -11.449 5.121 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.770 -9.719 5.605 1.00 0.00 O ATOM 0 H GLU A 94 -6.730 -11.366 8.285 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.316 -12.217 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.175 -10.831 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.903 -9.646 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.822 -8.654 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.878 -9.172 5.289 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.738 -10.336 5.335 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.848 -9.876 4.273 1.00 0.00 C ATOM 1458 C LEU A 95 -4.548 -11.002 3.296 1.00 0.00 C ATOM 1459 O LEU A 95 -4.414 -10.756 2.104 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.520 -9.395 4.894 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.683 -8.412 4.074 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -3.426 -7.113 3.723 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -1.438 -8.079 4.896 1.00 0.00 C ATOM 0 H LEU A 95 -5.360 -10.169 6.267 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.339 -9.062 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.744 -8.930 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.906 -10.272 5.101 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.440 -8.885 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.771 -6.465 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.315 -7.349 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.720 -6.603 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.813 -7.378 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.737 -7.630 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.875 -8.992 5.089 1.00 0.00 H new ATOM 1475 N LEU A 96 -4.395 -12.227 3.799 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.875 -13.334 3.017 1.00 0.00 C ATOM 1477 C LEU A 96 -4.902 -13.745 1.981 1.00 0.00 C ATOM 1478 O LEU A 96 -4.570 -13.847 0.802 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.467 -14.496 3.913 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.327 -14.137 4.890 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.492 -15.394 5.083 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.354 -13.018 4.471 1.00 0.00 C ATOM 0 H LEU A 96 -4.630 -12.473 4.761 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.972 -13.015 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.334 -14.829 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.153 -15.334 3.291 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.832 -13.757 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.672 -15.184 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.117 -16.186 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.088 -15.714 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.607 -12.874 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.858 -13.296 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.908 -12.091 4.323 1.00 0.00 H new ATOM 1494 N THR A 97 -6.149 -13.913 2.416 1.00 0.00 N ATOM 1495 CA THR A 97 -7.287 -14.149 1.546 1.00 0.00 C ATOM 1496 C THR A 97 -7.392 -13.009 0.531 1.00 0.00 C ATOM 1497 O THR A 97 -7.455 -13.266 -0.676 1.00 0.00 O ATOM 1498 CB THR A 97 -8.531 -14.292 2.440 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.264 -15.279 3.425 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.782 -14.704 1.662 1.00 0.00 C ATOM 0 H THR A 97 -6.396 -13.887 3.405 1.00 0.00 H new ATOM 0 HA THR A 97 -7.182 -15.065 0.965 1.00 0.00 H new ATOM 0 HB THR A 97 -8.731 -13.316 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.047 -15.382 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.625 -14.788 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.004 -13.952 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.610 -15.666 1.179 1.00 0.00 H new ATOM 1508 N ARG A 98 -7.350 -11.758 1.006 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.514 -10.585 0.158 1.00 0.00 C ATOM 1510 C ARG A 98 -6.446 -10.544 -0.939 1.00 0.00 C ATOM 1511 O ARG A 98 -6.783 -10.258 -2.089 1.00 0.00 O ATOM 1512 CB ARG A 98 -7.578 -9.321 1.045 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.608 -8.298 0.542 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.092 -7.495 -0.654 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.179 -6.995 -1.500 1.00 0.00 N ATOM 1516 CZ ARG A 98 -9.669 -7.586 -2.595 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.171 -8.734 -3.049 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.669 -6.987 -3.229 1.00 0.00 N ATOM 0 H ARG A 98 -7.201 -11.537 1.991 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.459 -10.633 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.827 -9.610 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.594 -8.854 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.524 -8.817 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.864 -7.615 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.498 -6.654 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.429 -8.122 -1.251 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.604 -6.109 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.397 -9.184 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.563 -9.164 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.040 -6.104 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.067 -7.410 -4.068 1.00 0.00 H new ATOM 1532 N LEU A 99 -5.172 -10.812 -0.624 1.00 0.00 N ATOM 1533 CA LEU A 99 -4.109 -10.929 -1.607 1.00 0.00 C ATOM 1534 C LEU A 99 -4.268 -12.125 -2.515 1.00 0.00 C ATOM 1535 O LEU A 99 -4.066 -11.963 -3.713 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.730 -11.042 -0.934 1.00 0.00 C ATOM 1537 CG LEU A 99 -2.080 -9.670 -0.748 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -2.315 -9.141 0.654 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.576 -9.731 -0.954 1.00 0.00 C ATOM 0 H LEU A 99 -4.856 -10.954 0.335 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.178 -10.018 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.836 -11.529 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.080 -11.674 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.536 -9.015 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.842 -8.164 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.386 -9.046 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.886 -9.831 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.149 -8.738 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.138 -10.420 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.361 -10.079 -1.964 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.487 -13.337 -2.002 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.300 -14.506 -2.868 1.00 0.00 C ATOM 1553 C LYS A 100 -5.273 -14.504 -4.038 1.00 0.00 C ATOM 1554 O LYS A 100 -4.912 -14.968 -5.120 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.370 -15.825 -2.098 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.189 -16.687 -2.574 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.238 -18.112 -2.003 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.065 -18.941 -2.544 1.00 0.00 C ATOM 1559 NZ LYS A 100 -2.030 -20.313 -2.010 1.00 0.00 N ATOM 0 H LYS A 100 -4.778 -13.533 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.291 -14.426 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.310 -15.648 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.317 -16.331 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.193 -16.734 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.253 -16.212 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.196 -18.077 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.182 -18.587 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.129 -18.983 -3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.129 -18.438 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.217 -20.821 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.940 -20.280 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.908 -20.808 -2.266 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.436 -13.892 -3.837 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.406 -13.569 -4.872 1.00 0.00 C ATOM 1575 C GLN A 101 -6.773 -12.905 -6.101 1.00 0.00 C ATOM 1576 O GLN A 101 -7.189 -13.205 -7.221 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.478 -12.672 -4.240 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.707 -12.442 -5.130 1.00 0.00 C ATOM 1579 CD GLN A 101 -9.673 -11.104 -5.860 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.094 -10.086 -5.322 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -9.192 -11.051 -7.090 1.00 0.00 N ATOM 0 H GLN A 101 -6.739 -13.596 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.848 -14.493 -5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.802 -13.119 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.032 -11.707 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.774 -13.247 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.607 -12.492 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.842 -11.898 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -9.171 -10.163 -7.592 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.791 -12.011 -5.930 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.153 -11.279 -7.031 1.00 0.00 C ATOM 1592 C ILE A 102 -3.958 -12.055 -7.623 1.00 0.00 C ATOM 1593 O ILE A 102 -3.312 -11.585 -8.563 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.813 -9.832 -6.584 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.538 -9.705 -5.728 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.966 -9.205 -5.782 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.439 -8.891 -6.404 1.00 0.00 C ATOM 0 H ILE A 102 -5.413 -11.773 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.859 -11.191 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.645 -9.305 -7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.792 -9.240 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.158 -10.702 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.694 -8.192 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.864 -9.173 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.159 -9.805 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.569 -8.840 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.158 -9.368 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.803 -7.883 -6.603 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.661 -13.249 -7.103 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.630 -14.141 -7.612 1.00 0.00 C ATOM 1611 C GLY A 103 -1.263 -13.758 -7.067 1.00 0.00 C ATOM 1612 O GLY A 103 -0.337 -13.503 -7.837 1.00 0.00 O ATOM 0 H GLY A 103 -4.149 -13.628 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.862 -15.169 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.615 -14.102 -8.701 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.164 -13.696 -5.738 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.062 -13.108 -4.994 1.00 0.00 C ATOM 1618 C ALA A 104 0.703 -14.152 -4.193 1.00 0.00 C ATOM 1619 O ALA A 104 1.832 -14.460 -4.557 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.666 -12.074 -4.048 1.00 0.00 C ATOM 0 H ALA A 104 -1.888 -14.074 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 104 0.649 -12.657 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.128 -11.605 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.190 -11.313 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.368 -12.564 -3.374 1.00 0.00 H new ATOM 1626 N LEU A 105 0.172 -14.637 -3.066 1.00 0.00 N ATOM 1627 CA LEU A 105 0.863 -15.668 -2.326 1.00 0.00 C ATOM 1628 C LEU A 105 0.883 -16.891 -3.233 1.00 0.00 C ATOM 1629 O LEU A 105 -0.134 -17.210 -3.854 1.00 0.00 O ATOM 1630 CB LEU A 105 0.207 -15.975 -0.974 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.624 -14.873 -0.286 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -1.302 -15.449 0.954 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.217 -13.659 0.122 1.00 0.00 C ATOM 0 H LEU A 105 -0.714 -14.333 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 105 1.871 -15.341 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.441 -16.841 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.996 -16.273 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.362 -14.529 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.890 -14.671 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.957 -16.270 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.544 -15.818 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.423 -12.918 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.994 -13.972 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.679 -13.222 -0.763 1.00 0.00 H new ATOM 1645 N GLN A 106 2.044 -17.521 -3.338 1.00 0.00 N ATOM 1646 CA GLN A 106 2.286 -18.611 -4.268 1.00 0.00 C ATOM 1647 C GLN A 106 1.927 -19.923 -3.590 1.00 0.00 C ATOM 1648 O GLN A 106 1.351 -20.794 -4.263 1.00 0.00 O ATOM 1649 CB GLN A 106 3.744 -18.515 -4.748 1.00 0.00 C ATOM 1650 CG GLN A 106 4.042 -19.261 -6.052 1.00 0.00 C ATOM 1651 CD GLN A 106 5.437 -18.899 -6.577 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.719 -17.755 -6.944 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.355 -19.852 -6.604 1.00 0.00 N ATOM 1654 OXT GLN A 106 2.172 -20.056 -2.366 1.00 0.00 O ATOM 0 H GLN A 106 2.857 -17.284 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 106 1.659 -18.553 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.999 -17.464 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.396 -18.905 -3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.979 -20.336 -5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.290 -19.010 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.119 -20.797 -6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.299 -19.642 -6.929 1.00 0.00 H new TER 1663 GLN A 106