USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 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 -36:sc= 0.17 USER MOD Set 1.2: A 79 CYS SG : rot 33:sc= -0.3 USER MOD Set 2.1: A 23 CYS SG : rot -147:sc= 0.48 USER MOD Set 2.2: A 26 CYS SG : rot 111:sc= 0.36 USER MOD Set 3.1: A 11 GLN : amide:sc= 1.06 K(o=2.2,f=-4) USER MOD Set 3.2: A 14 LYS NZ :NH3+ 166:sc= 1.1 (180deg=-0.0685) USER MOD Single : A 3 GLN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 7 ASN : amide:sc= -0.321 K(o=-0.32,f=-0.84) USER MOD Single : A 8 CYS SG : rot -179:sc= -0.492 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.722 K(o=-0.72,f=-2.3!) USER MOD Single : A 34 SER OG : rot 92:sc= 1.28 USER MOD Single : A 35 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.11) USER MOD Single : A 49 THR OG1 : rot -76:sc= 1.14 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.616 K(o=0.62,f=-0.18) USER MOD Single : A 53 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.22) USER MOD Single : A 54 THR OG1 : rot 170:sc= -0.213 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 58 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00817 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 168:sc= 1.18 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -6:sc= 1.17 USER MOD Single : A 90 GLN : amide:sc= -0.048 K(o=-0.048,f=-0.92) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -3.613 11.302 -6.624 1.00 0.00 N ATOM 2 CA ALA A 2 -2.922 12.583 -6.667 1.00 0.00 C ATOM 3 C ALA A 2 -1.852 12.425 -7.693 1.00 0.00 C ATOM 4 O ALA A 2 -0.911 11.652 -7.495 1.00 0.00 O ATOM 5 CB ALA A 2 -2.296 12.967 -5.343 1.00 0.00 C ATOM 0 HA ALA A 2 -3.633 13.376 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.797 13.931 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.072 13.037 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.568 12.210 -5.052 1.00 0.00 H new ATOM 13 N GLN A 3 -2.056 13.137 -8.784 1.00 0.00 N ATOM 14 CA GLN A 3 -1.368 12.963 -10.027 1.00 0.00 C ATOM 15 C GLN A 3 -1.496 11.546 -10.613 1.00 0.00 C ATOM 16 O GLN A 3 -1.834 10.576 -9.922 1.00 0.00 O ATOM 17 CB GLN A 3 0.097 13.409 -9.846 1.00 0.00 C ATOM 18 CG GLN A 3 0.518 14.552 -10.773 1.00 0.00 C ATOM 19 CD GLN A 3 0.400 14.110 -12.220 1.00 0.00 C ATOM 20 OE1 GLN A 3 1.102 13.201 -12.647 1.00 0.00 O ATOM 21 NE2 GLN A 3 -0.563 14.624 -12.962 1.00 0.00 N ATOM 0 H GLN A 3 -2.744 13.889 -8.818 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.846 13.594 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.247 13.720 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.751 12.554 -10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.110 15.425 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.544 14.849 -10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.141 15.380 -12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.729 14.265 -13.902 1.00 0.00 H new ATOM 30 N GLU A 4 -1.145 11.406 -11.891 1.00 0.00 N ATOM 31 CA GLU A 4 -1.035 10.109 -12.542 1.00 0.00 C ATOM 32 C GLU A 4 0.115 9.288 -11.945 1.00 0.00 C ATOM 33 O GLU A 4 0.107 8.059 -12.020 1.00 0.00 O ATOM 34 CB GLU A 4 -0.887 10.284 -14.058 1.00 0.00 C ATOM 35 CG GLU A 4 -1.472 9.047 -14.740 1.00 0.00 C ATOM 36 CD GLU A 4 -1.154 8.995 -16.229 1.00 0.00 C ATOM 37 OE1 GLU A 4 -1.905 9.598 -17.032 1.00 0.00 O ATOM 38 OE2 GLU A 4 -0.162 8.315 -16.591 1.00 0.00 O ATOM 0 H GLU A 4 -0.929 12.194 -12.502 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.953 9.549 -12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.407 11.183 -14.390 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.162 10.406 -14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.081 8.151 -14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.553 9.038 -14.602 1.00 0.00 H new ATOM 45 N PHE A 5 1.050 9.961 -11.264 1.00 0.00 N ATOM 46 CA PHE A 5 2.070 9.346 -10.428 1.00 0.00 C ATOM 47 C PHE A 5 1.438 8.297 -9.514 1.00 0.00 C ATOM 48 O PHE A 5 1.917 7.169 -9.481 1.00 0.00 O ATOM 49 CB PHE A 5 2.821 10.425 -9.632 1.00 0.00 C ATOM 50 CG PHE A 5 4.181 9.985 -9.113 1.00 0.00 C ATOM 51 CD1 PHE A 5 4.302 8.993 -8.117 1.00 0.00 C ATOM 52 CD2 PHE A 5 5.344 10.567 -9.651 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.575 8.579 -7.680 1.00 0.00 C ATOM 54 CE2 PHE A 5 6.610 10.168 -9.196 1.00 0.00 C ATOM 55 CZ PHE A 5 6.731 9.170 -8.216 1.00 0.00 C ATOM 0 H PHE A 5 1.114 10.979 -11.285 1.00 0.00 H new ATOM 0 HA PHE A 5 2.798 8.836 -11.058 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.953 11.302 -10.266 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.204 10.732 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.415 8.550 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.262 11.324 -10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.663 7.806 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.497 10.632 -9.602 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.708 8.858 -7.876 1.00 0.00 H new ATOM 65 N VAL A 6 0.356 8.630 -8.795 1.00 0.00 N ATOM 66 CA VAL A 6 -0.394 7.632 -8.043 1.00 0.00 C ATOM 67 C VAL A 6 -1.153 6.711 -9.008 1.00 0.00 C ATOM 68 O VAL A 6 -1.043 5.495 -8.880 1.00 0.00 O ATOM 69 CB VAL A 6 -1.277 8.322 -6.975 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.416 7.447 -6.427 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.414 8.770 -5.778 1.00 0.00 C ATOM 0 H VAL A 6 -0.012 9.579 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 6 0.280 6.982 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.731 9.167 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.983 8.010 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.076 7.156 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.998 6.554 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.047 9.254 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.070 7.901 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.346 9.473 -6.120 1.00 0.00 H new ATOM 81 N ASN A 7 -1.954 7.252 -9.934 1.00 0.00 N ATOM 82 CA ASN A 7 -2.969 6.455 -10.641 1.00 0.00 C ATOM 83 C ASN A 7 -2.334 5.289 -11.405 1.00 0.00 C ATOM 84 O ASN A 7 -2.692 4.135 -11.179 1.00 0.00 O ATOM 85 CB ASN A 7 -3.856 7.293 -11.588 1.00 0.00 C ATOM 86 CG ASN A 7 -4.275 8.665 -11.074 1.00 0.00 C ATOM 87 OD1 ASN A 7 -4.327 9.614 -11.842 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.517 8.840 -9.784 1.00 0.00 N ATOM 0 H ASN A 7 -1.921 8.233 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.622 6.057 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.322 7.427 -12.529 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.756 6.720 -11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.747 9.768 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.473 8.046 -9.145 1.00 0.00 H new ATOM 95 N CYS A 8 -1.376 5.577 -12.286 1.00 0.00 N ATOM 96 CA CYS A 8 -0.755 4.556 -13.122 1.00 0.00 C ATOM 97 C CYS A 8 0.360 3.795 -12.411 1.00 0.00 C ATOM 98 O CYS A 8 0.848 2.811 -12.964 1.00 0.00 O ATOM 99 CB CYS A 8 -0.236 5.194 -14.409 1.00 0.00 C ATOM 100 SG CYS A 8 -1.661 5.695 -15.401 1.00 0.00 S ATOM 0 H CYS A 8 -1.012 6.518 -12.438 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.523 3.819 -13.356 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.391 6.056 -14.181 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.383 4.487 -14.962 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.250 6.226 -16.514 1.00 0.00 H new ATOM 106 N LYS A 9 0.765 4.185 -11.194 1.00 0.00 N ATOM 107 CA LYS A 9 1.632 3.304 -10.413 1.00 0.00 C ATOM 108 C LYS A 9 0.896 2.021 -10.036 1.00 0.00 C ATOM 109 O LYS A 9 1.570 1.036 -9.747 1.00 0.00 O ATOM 110 CB LYS A 9 2.201 4.008 -9.168 1.00 0.00 C ATOM 111 CG LYS A 9 3.594 4.619 -9.418 1.00 0.00 C ATOM 112 CD LYS A 9 4.694 3.545 -9.437 1.00 0.00 C ATOM 113 CE LYS A 9 6.093 4.130 -9.201 1.00 0.00 C ATOM 114 NZ LYS A 9 6.635 4.844 -10.375 1.00 0.00 N ATOM 0 H LYS A 9 0.517 5.068 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 9 2.482 3.040 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.514 4.794 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.264 3.293 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.591 5.153 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.814 5.351 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.482 2.799 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.677 3.029 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.054 4.815 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.775 3.324 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.581 5.214 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.702 4.188 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.004 5.633 -10.623 1.00 0.00 H new ATOM 128 N ILE A 10 -0.440 1.988 -9.998 1.00 0.00 N ATOM 129 CA ILE A 10 -1.163 0.791 -9.590 1.00 0.00 C ATOM 130 C ILE A 10 -1.559 0.012 -10.842 1.00 0.00 C ATOM 131 O ILE A 10 -1.790 0.602 -11.897 1.00 0.00 O ATOM 132 CB ILE A 10 -2.403 1.170 -8.752 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.183 2.346 -7.766 1.00 0.00 C ATOM 134 CG2 ILE A 10 -2.921 -0.037 -7.943 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.370 3.299 -7.852 1.00 0.00 C ATOM 0 H ILE A 10 -1.037 2.777 -10.245 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.527 0.165 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.134 1.493 -9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.077 1.969 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.260 2.872 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.794 0.261 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.196 -0.841 -8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.139 -0.385 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.221 4.129 -7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.455 3.684 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.284 2.767 -7.589 1.00 0.00 H new ATOM 147 N GLN A 11 -1.748 -1.300 -10.690 1.00 0.00 N ATOM 148 CA GLN A 11 -2.403 -2.161 -11.664 1.00 0.00 C ATOM 149 C GLN A 11 -3.369 -3.075 -10.884 1.00 0.00 C ATOM 150 O GLN A 11 -3.122 -3.351 -9.700 1.00 0.00 O ATOM 151 CB GLN A 11 -1.337 -2.980 -12.410 1.00 0.00 C ATOM 152 CG GLN A 11 -0.718 -2.201 -13.578 1.00 0.00 C ATOM 153 CD GLN A 11 0.451 -2.970 -14.181 1.00 0.00 C ATOM 154 OE1 GLN A 11 1.597 -2.783 -13.792 1.00 0.00 O ATOM 155 NE2 GLN A 11 0.197 -3.902 -15.080 1.00 0.00 N ATOM 0 H GLN A 11 -1.438 -1.804 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.959 -1.587 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.551 -3.271 -11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.785 -3.899 -12.786 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.474 -2.021 -14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.377 -1.226 -13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.759 -4.054 -15.401 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.957 -4.470 -15.454 1.00 0.00 H new ATOM 164 N PRO A 12 -4.468 -3.552 -11.496 1.00 0.00 N ATOM 165 CA PRO A 12 -5.491 -4.359 -10.833 1.00 0.00 C ATOM 166 C PRO A 12 -5.054 -5.827 -10.734 1.00 0.00 C ATOM 167 O PRO A 12 -5.659 -6.721 -11.321 1.00 0.00 O ATOM 168 CB PRO A 12 -6.746 -4.146 -11.681 1.00 0.00 C ATOM 169 CG PRO A 12 -6.178 -4.036 -13.095 1.00 0.00 C ATOM 170 CD PRO A 12 -4.874 -3.269 -12.868 1.00 0.00 C ATOM 0 HA PRO A 12 -5.671 -4.068 -9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.444 -4.978 -11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.284 -3.244 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.001 -5.016 -13.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.853 -3.501 -13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.107 -3.588 -13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.021 -2.199 -13.018 1.00 0.00 H new ATOM 178 N GLY A 13 -3.981 -6.069 -9.990 1.00 0.00 N ATOM 179 CA GLY A 13 -3.385 -7.380 -9.790 1.00 0.00 C ATOM 180 C GLY A 13 -1.934 -7.278 -9.331 1.00 0.00 C ATOM 181 O GLY A 13 -1.105 -8.131 -9.647 1.00 0.00 O ATOM 0 H GLY A 13 -3.486 -5.329 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.963 -7.933 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.433 -7.947 -10.720 1.00 0.00 H new ATOM 185 N LYS A 14 -1.624 -6.220 -8.581 1.00 0.00 N ATOM 186 CA LYS A 14 -0.367 -6.001 -7.886 1.00 0.00 C ATOM 187 C LYS A 14 -0.692 -5.527 -6.478 1.00 0.00 C ATOM 188 O LYS A 14 -1.856 -5.262 -6.159 1.00 0.00 O ATOM 189 CB LYS A 14 0.488 -4.967 -8.650 1.00 0.00 C ATOM 190 CG LYS A 14 1.652 -5.654 -9.367 1.00 0.00 C ATOM 191 CD LYS A 14 2.822 -4.699 -9.640 1.00 0.00 C ATOM 192 CE LYS A 14 2.591 -3.853 -10.891 1.00 0.00 C ATOM 193 NZ LYS A 14 2.740 -4.643 -12.129 1.00 0.00 N ATOM 0 H LYS A 14 -2.283 -5.455 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 14 0.215 -6.921 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.132 -4.439 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.872 -4.220 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.004 -6.490 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.299 -6.069 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.963 -4.044 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.740 -5.275 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.592 -3.420 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.298 -3.023 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.350 -4.108 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.748 -4.836 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.227 -5.542 -12.031 1.00 0.00 H new ATOM 207 N VAL A 15 0.326 -5.411 -5.639 1.00 0.00 N ATOM 208 CA VAL A 15 0.203 -5.013 -4.254 1.00 0.00 C ATOM 209 C VAL A 15 0.971 -3.702 -4.160 1.00 0.00 C ATOM 210 O VAL A 15 2.176 -3.687 -4.366 1.00 0.00 O ATOM 211 CB VAL A 15 0.732 -6.142 -3.357 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.396 -5.789 -1.912 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.127 -7.511 -3.705 1.00 0.00 C ATOM 0 H VAL A 15 1.289 -5.598 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.819 -4.850 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 15 1.808 -6.227 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.761 -6.575 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.871 -4.844 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.684 -5.695 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.537 -8.270 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.956 -7.471 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.370 -7.764 -4.737 1.00 0.00 H new ATOM 223 N VAL A 16 0.276 -2.592 -3.942 1.00 0.00 N ATOM 224 CA VAL A 16 0.784 -1.270 -4.272 1.00 0.00 C ATOM 225 C VAL A 16 0.572 -0.328 -3.091 1.00 0.00 C ATOM 226 O VAL A 16 -0.567 -0.067 -2.684 1.00 0.00 O ATOM 227 CB VAL A 16 0.093 -0.825 -5.575 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.555 0.563 -5.996 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.341 -1.837 -6.703 1.00 0.00 C ATOM 0 H VAL A 16 -0.657 -2.585 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 16 1.859 -1.267 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.979 -0.783 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.050 0.850 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.313 1.280 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.633 0.554 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.158 -1.499 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.412 -1.922 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.055 -2.810 -6.412 1.00 0.00 H new ATOM 239 N VAL A 17 1.666 0.158 -2.507 1.00 0.00 N ATOM 240 CA VAL A 17 1.627 0.961 -1.284 1.00 0.00 C ATOM 241 C VAL A 17 2.245 2.330 -1.531 1.00 0.00 C ATOM 242 O VAL A 17 3.345 2.428 -2.074 1.00 0.00 O ATOM 243 CB VAL A 17 2.347 0.250 -0.125 1.00 0.00 C ATOM 244 CG1 VAL A 17 1.879 0.814 1.226 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.153 -1.271 -0.123 1.00 0.00 C ATOM 0 H VAL A 17 2.607 0.006 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 17 0.583 1.090 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 17 3.409 0.442 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.398 0.300 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.102 1.880 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.805 0.663 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.688 -1.705 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.091 -1.502 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.541 -1.689 -1.052 1.00 0.00 H new ATOM 255 N PHE A 18 1.546 3.396 -1.142 1.00 0.00 N ATOM 256 CA PHE A 18 2.073 4.754 -1.181 1.00 0.00 C ATOM 257 C PHE A 18 2.594 5.042 0.223 1.00 0.00 C ATOM 258 O PHE A 18 1.865 4.829 1.199 1.00 0.00 O ATOM 259 CB PHE A 18 0.976 5.717 -1.656 1.00 0.00 C ATOM 260 CG PHE A 18 0.641 5.484 -3.111 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.543 5.897 -4.111 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.543 4.812 -3.462 1.00 0.00 C ATOM 263 CE1 PHE A 18 1.272 5.605 -5.458 1.00 0.00 C ATOM 264 CE2 PHE A 18 -0.810 4.518 -4.808 1.00 0.00 C ATOM 265 CZ PHE A 18 0.102 4.907 -5.801 1.00 0.00 C ATOM 0 H PHE A 18 0.591 3.338 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 18 2.890 4.883 -1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.082 5.583 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.306 6.746 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.440 6.436 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.247 4.522 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.962 5.916 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.715 3.994 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.097 4.668 -6.835 1.00 0.00 H new ATOM 275 N ILE A 19 3.863 5.436 0.321 1.00 0.00 N ATOM 276 CA ILE A 19 4.639 5.522 1.555 1.00 0.00 C ATOM 277 C ILE A 19 5.522 6.760 1.544 1.00 0.00 C ATOM 278 O ILE A 19 5.709 7.371 0.502 1.00 0.00 O ATOM 279 CB ILE A 19 5.513 4.258 1.734 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.497 3.975 0.575 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.615 3.045 1.991 1.00 0.00 C ATOM 282 CD1 ILE A 19 7.938 4.400 0.872 1.00 0.00 C ATOM 0 H ILE A 19 4.403 5.717 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 19 3.942 5.592 2.390 1.00 0.00 H new ATOM 0 HB ILE A 19 6.150 4.454 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.481 2.909 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.151 4.495 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.232 2.155 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.029 3.211 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.943 2.904 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.569 4.170 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.968 5.472 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.304 3.861 1.746 1.00 0.00 H new ATOM 294 N LYS A 20 6.109 7.102 2.687 1.00 0.00 N ATOM 295 CA LYS A 20 7.146 8.120 2.841 1.00 0.00 C ATOM 296 C LYS A 20 8.328 7.434 3.544 1.00 0.00 C ATOM 297 O LYS A 20 8.100 6.514 4.337 1.00 0.00 O ATOM 298 CB LYS A 20 6.614 9.356 3.617 1.00 0.00 C ATOM 299 CG LYS A 20 5.486 9.031 4.620 1.00 0.00 C ATOM 300 CD LYS A 20 5.289 10.038 5.763 1.00 0.00 C ATOM 301 CE LYS A 20 4.619 11.360 5.379 1.00 0.00 C ATOM 302 NZ LYS A 20 4.602 12.292 6.528 1.00 0.00 N ATOM 0 H LYS A 20 5.864 6.658 3.572 1.00 0.00 H new ATOM 0 HA LYS A 20 7.467 8.513 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.442 9.818 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.248 10.092 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.549 8.950 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.685 8.052 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.692 9.563 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.263 10.259 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.152 11.814 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.600 11.172 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.144 13.182 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.073 11.864 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.577 12.486 6.832 1.00 0.00 H new ATOM 316 N PRO A 21 9.581 7.835 3.280 1.00 0.00 N ATOM 317 CA PRO A 21 10.748 7.255 3.934 1.00 0.00 C ATOM 318 C PRO A 21 10.791 7.675 5.402 1.00 0.00 C ATOM 319 O PRO A 21 11.121 6.887 6.287 1.00 0.00 O ATOM 320 CB PRO A 21 11.956 7.801 3.167 1.00 0.00 C ATOM 321 CG PRO A 21 11.462 9.113 2.564 1.00 0.00 C ATOM 322 CD PRO A 21 9.985 8.837 2.310 1.00 0.00 C ATOM 0 HA PRO A 21 10.731 6.165 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.807 7.963 3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.282 7.106 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.605 9.950 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.991 9.359 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.395 9.747 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.826 8.479 1.293 1.00 0.00 H new ATOM 330 N THR A 22 10.435 8.924 5.673 1.00 0.00 N ATOM 331 CA THR A 22 10.373 9.550 6.977 1.00 0.00 C ATOM 332 C THR A 22 9.049 9.185 7.673 1.00 0.00 C ATOM 333 O THR A 22 8.338 10.067 8.161 1.00 0.00 O ATOM 334 CB THR A 22 10.590 11.060 6.748 1.00 0.00 C ATOM 335 OG1 THR A 22 9.866 11.506 5.610 1.00 0.00 O ATOM 336 CG2 THR A 22 12.071 11.356 6.488 1.00 0.00 C ATOM 0 H THR A 22 10.163 9.568 4.930 1.00 0.00 H new ATOM 0 HA THR A 22 11.146 9.196 7.659 1.00 0.00 H new ATOM 0 HB THR A 22 10.245 11.575 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.015 12.466 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.206 12.426 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.662 11.040 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.401 10.813 5.602 1.00 0.00 H new ATOM 344 N CYS A 23 8.703 7.889 7.683 1.00 0.00 N ATOM 345 CA CYS A 23 7.612 7.291 8.434 1.00 0.00 C ATOM 346 C CYS A 23 8.059 5.931 8.986 1.00 0.00 C ATOM 347 O CYS A 23 8.485 5.069 8.200 1.00 0.00 O ATOM 348 CB CYS A 23 6.405 7.119 7.514 1.00 0.00 C ATOM 349 SG CYS A 23 4.964 6.317 8.240 1.00 0.00 S ATOM 0 H CYS A 23 9.213 7.198 7.132 1.00 0.00 H new ATOM 0 HA CYS A 23 7.335 7.936 9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.105 8.103 7.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.717 6.542 6.643 1.00 0.00 H new ATOM 0 HG CYS A 23 4.351 5.620 7.330 1.00 0.00 H new ATOM 354 N PRO A 24 7.918 5.691 10.299 1.00 0.00 N ATOM 355 CA PRO A 24 8.126 4.378 10.873 1.00 0.00 C ATOM 356 C PRO A 24 6.924 3.454 10.646 1.00 0.00 C ATOM 357 O PRO A 24 7.112 2.236 10.685 1.00 0.00 O ATOM 358 CB PRO A 24 8.360 4.638 12.355 1.00 0.00 C ATOM 359 CG PRO A 24 7.439 5.820 12.629 1.00 0.00 C ATOM 360 CD PRO A 24 7.524 6.635 11.337 1.00 0.00 C ATOM 0 HA PRO A 24 8.966 3.863 10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.102 3.772 12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.402 4.878 12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.419 5.496 12.835 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.770 6.397 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.565 7.097 11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.252 7.441 11.430 1.00 0.00 H new ATOM 368 N TYR A 25 5.720 3.966 10.347 1.00 0.00 N ATOM 369 CA TYR A 25 4.622 3.070 10.008 1.00 0.00 C ATOM 370 C TYR A 25 4.868 2.520 8.611 1.00 0.00 C ATOM 371 O TYR A 25 4.551 1.358 8.372 1.00 0.00 O ATOM 372 CB TYR A 25 3.243 3.738 10.018 1.00 0.00 C ATOM 373 CG TYR A 25 2.660 4.163 11.346 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.529 3.235 12.397 1.00 0.00 C ATOM 375 CD2 TYR A 25 2.117 5.456 11.478 1.00 0.00 C ATOM 376 CE1 TYR A 25 1.883 3.607 13.588 1.00 0.00 C ATOM 377 CE2 TYR A 25 1.484 5.839 12.674 1.00 0.00 C ATOM 378 CZ TYR A 25 1.376 4.917 13.738 1.00 0.00 C ATOM 379 OH TYR A 25 0.766 5.269 14.903 1.00 0.00 O ATOM 0 H TYR A 25 5.493 4.960 10.334 1.00 0.00 H new ATOM 0 HA TYR A 25 4.605 2.294 10.773 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.297 4.621 9.381 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.538 3.051 9.550 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.925 2.236 12.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.187 6.155 10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.774 2.891 14.389 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.082 6.836 12.778 1.00 0.00 H new ATOM 0 HH TYR A 25 0.473 6.203 14.850 1.00 0.00 H new ATOM 389 N CYS A 26 5.439 3.301 7.689 1.00 0.00 N ATOM 390 CA CYS A 26 5.735 2.809 6.356 1.00 0.00 C ATOM 391 C CYS A 26 6.817 1.730 6.475 1.00 0.00 C ATOM 392 O CYS A 26 6.695 0.681 5.846 1.00 0.00 O ATOM 393 CB CYS A 26 6.190 3.959 5.461 1.00 0.00 C ATOM 394 SG CYS A 26 4.780 5.019 5.033 1.00 0.00 S ATOM 0 H CYS A 26 5.702 4.274 7.849 1.00 0.00 H new ATOM 0 HA CYS A 26 4.844 2.377 5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.953 4.546 5.971 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.646 3.564 4.553 1.00 0.00 H new ATOM 0 HG CYS A 26 4.908 6.171 5.622 1.00 0.00 H new ATOM 400 N ARG A 27 7.820 1.931 7.347 1.00 0.00 N ATOM 401 CA ARG A 27 8.805 0.895 7.672 1.00 0.00 C ATOM 402 C ARG A 27 8.114 -0.394 8.105 1.00 0.00 C ATOM 403 O ARG A 27 8.387 -1.453 7.533 1.00 0.00 O ATOM 404 CB ARG A 27 9.781 1.345 8.765 1.00 0.00 C ATOM 405 CG ARG A 27 10.868 2.265 8.222 1.00 0.00 C ATOM 406 CD ARG A 27 11.745 2.754 9.372 1.00 0.00 C ATOM 407 NE ARG A 27 12.894 3.541 8.887 1.00 0.00 N ATOM 408 CZ ARG A 27 14.163 3.448 9.315 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.497 2.719 10.375 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.119 4.090 8.657 1.00 0.00 N ATOM 0 H ARG A 27 7.967 2.811 7.841 1.00 0.00 H new ATOM 0 HA ARG A 27 9.378 0.713 6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.230 1.861 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.243 0.469 9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.475 1.734 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.417 3.114 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.148 3.363 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.105 1.899 9.944 1.00 0.00 H new ATOM 0 HE ARG A 27 12.706 4.224 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.779 2.209 10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.471 2.670 10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.886 4.647 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.087 4.027 8.973 1.00 0.00 H new ATOM 424 N ARG A 28 7.227 -0.297 9.104 1.00 0.00 N ATOM 425 CA ARG A 28 6.465 -1.428 9.617 1.00 0.00 C ATOM 426 C ARG A 28 5.760 -2.111 8.465 1.00 0.00 C ATOM 427 O ARG A 28 5.943 -3.306 8.273 1.00 0.00 O ATOM 428 CB ARG A 28 5.440 -0.957 10.664 1.00 0.00 C ATOM 429 CG ARG A 28 4.544 -2.088 11.212 1.00 0.00 C ATOM 430 CD ARG A 28 4.900 -2.525 12.637 1.00 0.00 C ATOM 431 NE ARG A 28 6.073 -3.418 12.675 1.00 0.00 N ATOM 432 CZ ARG A 28 6.398 -4.215 13.702 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.726 -4.162 14.846 1.00 0.00 N ATOM 434 NH2 ARG A 28 7.403 -5.069 13.589 1.00 0.00 N ATOM 0 H ARG A 28 7.021 0.581 9.580 1.00 0.00 H new ATOM 0 HA ARG A 28 7.144 -2.131 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.971 -0.492 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.808 -0.188 10.220 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.505 -1.758 11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.617 -2.950 10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.099 -1.643 13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.045 -3.034 13.082 1.00 0.00 H new ATOM 0 HE ARG A 28 6.683 -3.430 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.950 -3.508 14.952 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.985 -4.775 15.619 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.932 -5.122 12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.648 -5.674 14.372 1.00 0.00 H new ATOM 448 N ALA A 29 4.913 -1.362 7.764 1.00 0.00 N ATOM 449 CA ALA A 29 4.038 -1.876 6.726 1.00 0.00 C ATOM 450 C ALA A 29 4.819 -2.625 5.661 1.00 0.00 C ATOM 451 O ALA A 29 4.354 -3.683 5.258 1.00 0.00 O ATOM 452 CB ALA A 29 3.218 -0.762 6.087 1.00 0.00 C ATOM 0 H ALA A 29 4.817 -0.357 7.909 1.00 0.00 H new ATOM 0 HA ALA A 29 3.354 -2.576 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.574 -1.182 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.605 -0.279 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.888 -0.027 5.641 1.00 0.00 H new ATOM 458 N GLN A 30 5.980 -2.133 5.223 1.00 0.00 N ATOM 459 CA GLN A 30 6.846 -2.837 4.316 1.00 0.00 C ATOM 460 C GLN A 30 7.212 -4.211 4.828 1.00 0.00 C ATOM 461 O GLN A 30 7.115 -5.181 4.082 1.00 0.00 O ATOM 462 CB GLN A 30 8.116 -1.995 4.079 1.00 0.00 C ATOM 463 CG GLN A 30 7.974 -1.296 2.740 1.00 0.00 C ATOM 464 CD GLN A 30 7.080 -0.057 2.742 1.00 0.00 C ATOM 465 OE1 GLN A 30 5.867 -0.139 2.916 1.00 0.00 O ATOM 466 NE2 GLN A 30 7.641 1.117 2.493 1.00 0.00 N ATOM 0 H GLN A 30 6.337 -1.219 5.501 1.00 0.00 H new ATOM 0 HA GLN A 30 6.312 -2.982 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.243 -1.265 4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.001 -2.631 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.966 -1.008 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.578 -2.009 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.649 1.180 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.065 1.958 2.445 1.00 0.00 H new ATOM 475 N GLU A 31 7.654 -4.296 6.072 1.00 0.00 N ATOM 476 CA GLU A 31 8.142 -5.509 6.677 1.00 0.00 C ATOM 477 C GLU A 31 6.997 -6.498 6.867 1.00 0.00 C ATOM 478 O GLU A 31 7.079 -7.632 6.396 1.00 0.00 O ATOM 479 CB GLU A 31 8.812 -5.074 7.994 1.00 0.00 C ATOM 480 CG GLU A 31 10.117 -5.801 8.266 1.00 0.00 C ATOM 481 CD GLU A 31 9.907 -7.152 8.940 1.00 0.00 C ATOM 482 OE1 GLU A 31 9.461 -7.151 10.110 1.00 0.00 O ATOM 483 OE2 GLU A 31 10.210 -8.182 8.293 1.00 0.00 O ATOM 0 H GLU A 31 7.681 -3.494 6.702 1.00 0.00 H new ATOM 0 HA GLU A 31 8.867 -6.036 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.001 -4.001 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.124 -5.252 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.650 -5.947 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.750 -5.179 8.898 1.00 0.00 H new ATOM 490 N ILE A 32 5.906 -6.023 7.463 1.00 0.00 N ATOM 491 CA ILE A 32 4.619 -6.684 7.599 1.00 0.00 C ATOM 492 C ILE A 32 4.206 -7.279 6.258 1.00 0.00 C ATOM 493 O ILE A 32 3.947 -8.479 6.177 1.00 0.00 O ATOM 494 CB ILE A 32 3.616 -5.639 8.153 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.758 -5.608 9.689 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.156 -5.837 7.729 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.689 -4.793 10.421 1.00 0.00 C ATOM 0 H ILE A 32 5.903 -5.098 7.894 1.00 0.00 H new ATOM 0 HA ILE A 32 4.655 -7.520 8.297 1.00 0.00 H new ATOM 0 HB ILE A 32 3.878 -4.679 7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.732 -6.632 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.738 -5.202 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.540 -5.054 8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.083 -5.787 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.806 -6.811 8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.874 -4.832 11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.726 -3.757 10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.704 -5.209 10.207 1.00 0.00 H new ATOM 509 N LEU A 33 4.135 -6.443 5.218 1.00 0.00 N ATOM 510 CA LEU A 33 3.623 -6.869 3.932 1.00 0.00 C ATOM 511 C LEU A 33 4.592 -7.891 3.351 1.00 0.00 C ATOM 512 O LEU A 33 4.145 -8.933 2.880 1.00 0.00 O ATOM 513 CB LEU A 33 3.443 -5.698 2.943 1.00 0.00 C ATOM 514 CG LEU A 33 2.036 -5.066 2.925 1.00 0.00 C ATOM 515 CD1 LEU A 33 2.073 -3.762 2.150 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.009 -5.990 2.259 1.00 0.00 C ATOM 0 H LEU A 33 4.429 -5.467 5.252 1.00 0.00 H new ATOM 0 HA LEU A 33 2.634 -7.302 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.169 -4.923 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.678 -6.051 1.939 1.00 0.00 H new ATOM 0 HG LEU A 33 1.740 -4.896 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.078 -3.317 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.772 -3.075 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.396 -3.956 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.030 -5.510 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.310 -6.187 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.956 -6.930 2.808 1.00 0.00 H new ATOM 528 N SER A 34 5.903 -7.606 3.382 1.00 0.00 N ATOM 529 CA SER A 34 6.879 -8.510 2.779 1.00 0.00 C ATOM 530 C SER A 34 6.973 -9.882 3.482 1.00 0.00 C ATOM 531 O SER A 34 7.462 -10.832 2.868 1.00 0.00 O ATOM 532 CB SER A 34 8.252 -7.838 2.748 1.00 0.00 C ATOM 533 OG SER A 34 8.199 -6.562 2.132 1.00 0.00 O ATOM 0 H SER A 34 6.301 -6.771 3.811 1.00 0.00 H new ATOM 0 HA SER A 34 6.532 -8.713 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.630 -7.735 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.956 -8.473 2.209 1.00 0.00 H new ATOM 0 HG SER A 34 8.051 -5.875 2.815 1.00 0.00 H new ATOM 539 N GLN A 35 6.503 -10.032 4.731 1.00 0.00 N ATOM 540 CA GLN A 35 6.577 -11.318 5.434 1.00 0.00 C ATOM 541 C GLN A 35 5.556 -12.296 4.862 1.00 0.00 C ATOM 542 O GLN A 35 5.778 -13.510 4.877 1.00 0.00 O ATOM 543 CB GLN A 35 6.295 -11.150 6.934 1.00 0.00 C ATOM 544 CG GLN A 35 7.551 -10.738 7.715 1.00 0.00 C ATOM 545 CD GLN A 35 7.304 -10.553 9.208 1.00 0.00 C ATOM 546 OE1 GLN A 35 8.100 -10.980 10.046 1.00 0.00 O ATOM 547 NE2 GLN A 35 6.229 -9.871 9.564 1.00 0.00 N ATOM 0 H GLN A 35 6.071 -9.282 5.270 1.00 0.00 H new ATOM 0 HA GLN A 35 7.587 -11.703 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.518 -10.398 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.909 -12.086 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.322 -11.495 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.938 -9.807 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.584 -9.527 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.044 -9.688 10.550 1.00 0.00 H new ATOM 556 N LEU A 36 4.459 -11.796 4.306 1.00 0.00 N ATOM 557 CA LEU A 36 3.512 -12.616 3.578 1.00 0.00 C ATOM 558 C LEU A 36 4.180 -12.987 2.240 1.00 0.00 C ATOM 559 O LEU A 36 4.824 -12.131 1.631 1.00 0.00 O ATOM 560 CB LEU A 36 2.204 -11.829 3.436 1.00 0.00 C ATOM 561 CG LEU A 36 1.569 -11.454 4.794 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.373 -10.541 4.552 1.00 0.00 C ATOM 563 CD2 LEU A 36 1.125 -12.684 5.585 1.00 0.00 C ATOM 0 H LEU A 36 4.205 -10.809 4.350 1.00 0.00 H new ATOM 0 HA LEU A 36 3.253 -13.545 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.395 -10.919 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.492 -12.421 2.860 1.00 0.00 H new ATOM 0 HG LEU A 36 2.327 -10.942 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.079 -10.273 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.703 -9.637 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.361 -11.059 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.685 -12.369 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.386 -13.240 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.987 -13.322 5.780 1.00 0.00 H new ATOM 575 N PRO A 37 4.112 -14.250 1.783 1.00 0.00 N ATOM 576 CA PRO A 37 4.930 -14.744 0.671 1.00 0.00 C ATOM 577 C PRO A 37 4.326 -14.381 -0.697 1.00 0.00 C ATOM 578 O PRO A 37 3.887 -15.249 -1.453 1.00 0.00 O ATOM 579 CB PRO A 37 5.020 -16.249 0.930 1.00 0.00 C ATOM 580 CG PRO A 37 3.666 -16.574 1.545 1.00 0.00 C ATOM 581 CD PRO A 37 3.407 -15.354 2.423 1.00 0.00 C ATOM 0 HA PRO A 37 5.919 -14.288 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.189 -16.807 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.839 -16.494 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.894 -16.700 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.694 -17.495 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.340 -15.146 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.773 -15.517 3.437 1.00 0.00 H new ATOM 589 N ILE A 38 4.228 -13.085 -0.997 1.00 0.00 N ATOM 590 CA ILE A 38 3.595 -12.574 -2.210 1.00 0.00 C ATOM 591 C ILE A 38 4.402 -13.039 -3.439 1.00 0.00 C ATOM 592 O ILE A 38 5.634 -13.130 -3.384 1.00 0.00 O ATOM 593 CB ILE A 38 3.485 -11.024 -2.089 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.236 -10.595 -1.289 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.370 -10.300 -3.434 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.486 -10.573 0.211 1.00 0.00 C ATOM 0 H ILE A 38 4.593 -12.350 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 38 2.585 -12.965 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 38 4.413 -10.746 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.921 -9.604 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.416 -11.279 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.298 -9.226 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.252 -10.513 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.479 -10.645 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.577 -10.265 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.774 -11.569 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.287 -9.869 0.436 1.00 0.00 H new ATOM 608 N LYS A 39 3.707 -13.267 -4.565 1.00 0.00 N ATOM 609 CA LYS A 39 4.276 -13.513 -5.885 1.00 0.00 C ATOM 610 C LYS A 39 5.369 -12.487 -6.160 1.00 0.00 C ATOM 611 O LYS A 39 5.121 -11.283 -6.063 1.00 0.00 O ATOM 612 CB LYS A 39 3.201 -13.480 -6.982 1.00 0.00 C ATOM 613 CG LYS A 39 2.720 -14.874 -7.404 1.00 0.00 C ATOM 614 CD LYS A 39 3.582 -15.460 -8.522 1.00 0.00 C ATOM 615 CE LYS A 39 3.124 -14.985 -9.908 1.00 0.00 C ATOM 616 NZ LYS A 39 4.098 -15.344 -10.956 1.00 0.00 N ATOM 0 H LYS A 39 2.687 -13.284 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 39 4.708 -14.514 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.348 -12.901 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.598 -12.961 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.740 -15.541 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.684 -14.815 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.622 -15.174 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.541 -16.548 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.156 -15.428 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.985 -13.904 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.755 -15.007 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.015 -14.901 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.212 -16.377 -10.985 1.00 0.00 H new ATOM 630 N GLN A 40 6.572 -12.956 -6.474 1.00 0.00 N ATOM 631 CA GLN A 40 7.733 -12.088 -6.585 1.00 0.00 C ATOM 632 C GLN A 40 7.467 -11.018 -7.643 1.00 0.00 C ATOM 633 O GLN A 40 7.043 -11.338 -8.755 1.00 0.00 O ATOM 634 CB GLN A 40 8.968 -12.939 -6.914 1.00 0.00 C ATOM 635 CG GLN A 40 10.307 -12.213 -6.692 1.00 0.00 C ATOM 636 CD GLN A 40 10.594 -11.814 -5.241 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.386 -10.913 -4.980 1.00 0.00 O ATOM 638 NE2 GLN A 40 10.000 -12.465 -4.254 1.00 0.00 N ATOM 0 H GLN A 40 6.766 -13.940 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 40 7.924 -11.576 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.949 -13.840 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.909 -13.260 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.114 -12.856 -7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.323 -11.315 -7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.341 -13.215 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.201 -12.217 -3.285 1.00 0.00 H new ATOM 647 N GLY A 41 7.697 -9.752 -7.298 1.00 0.00 N ATOM 648 CA GLY A 41 7.514 -8.633 -8.206 1.00 0.00 C ATOM 649 C GLY A 41 6.108 -8.044 -8.161 1.00 0.00 C ATOM 650 O GLY A 41 5.870 -7.059 -8.859 1.00 0.00 O ATOM 0 H GLY A 41 8.019 -9.477 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.235 -7.853 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.731 -8.960 -9.223 1.00 0.00 H new ATOM 654 N LEU A 42 5.157 -8.592 -7.387 1.00 0.00 N ATOM 655 CA LEU A 42 3.865 -7.944 -7.252 1.00 0.00 C ATOM 656 C LEU A 42 3.902 -6.768 -6.281 1.00 0.00 C ATOM 657 O LEU A 42 3.053 -5.886 -6.386 1.00 0.00 O ATOM 658 CB LEU A 42 2.796 -8.880 -6.714 1.00 0.00 C ATOM 659 CG LEU A 42 2.349 -10.037 -7.600 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.054 -10.568 -7.006 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.049 -9.659 -9.043 1.00 0.00 C ATOM 0 H LEU A 42 5.264 -9.460 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 42 3.628 -7.615 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.160 -9.299 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.916 -8.282 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 42 3.171 -10.753 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.692 -11.402 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.234 -10.908 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.306 -9.775 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.739 -10.547 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.249 -8.919 -9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.944 -9.240 -9.503 1.00 0.00 H new ATOM 673 N LEU A 43 4.763 -6.826 -5.259 1.00 0.00 N ATOM 674 CA LEU A 43 4.710 -5.900 -4.135 1.00 0.00 C ATOM 675 C LEU A 43 5.552 -4.684 -4.507 1.00 0.00 C ATOM 676 O LEU A 43 6.766 -4.834 -4.674 1.00 0.00 O ATOM 677 CB LEU A 43 5.182 -6.578 -2.825 1.00 0.00 C ATOM 678 CG LEU A 43 4.469 -6.169 -1.508 1.00 0.00 C ATOM 679 CD1 LEU A 43 3.827 -4.775 -1.519 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.414 -7.200 -1.080 1.00 0.00 C ATOM 0 H LEU A 43 5.512 -7.516 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 43 3.685 -5.583 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.072 -7.656 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.247 -6.377 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 43 5.282 -6.136 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.355 -4.584 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.594 -4.023 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.075 -4.727 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.941 -6.873 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.659 -7.293 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.893 -8.166 -0.921 1.00 0.00 H new ATOM 692 N GLU A 44 4.950 -3.502 -4.626 1.00 0.00 N ATOM 693 CA GLU A 44 5.630 -2.256 -4.921 1.00 0.00 C ATOM 694 C GLU A 44 5.311 -1.263 -3.807 1.00 0.00 C ATOM 695 O GLU A 44 4.153 -1.094 -3.411 1.00 0.00 O ATOM 696 CB GLU A 44 5.243 -1.723 -6.309 1.00 0.00 C ATOM 697 CG GLU A 44 6.198 -0.572 -6.674 1.00 0.00 C ATOM 698 CD GLU A 44 5.942 0.098 -8.022 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.075 -0.356 -8.802 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.653 1.092 -8.311 1.00 0.00 O ATOM 0 H GLU A 44 3.942 -3.389 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 44 6.708 -2.416 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.307 -2.518 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.211 -1.372 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.137 0.187 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.218 -0.955 -6.667 1.00 0.00 H new ATOM 707 N PHE A 45 6.347 -0.590 -3.317 1.00 0.00 N ATOM 708 CA PHE A 45 6.242 0.523 -2.391 1.00 0.00 C ATOM 709 C PHE A 45 6.658 1.773 -3.173 1.00 0.00 C ATOM 710 O PHE A 45 7.567 1.715 -4.008 1.00 0.00 O ATOM 711 CB PHE A 45 7.093 0.247 -1.137 1.00 0.00 C ATOM 712 CG PHE A 45 7.025 -1.184 -0.611 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.829 -1.665 -0.048 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.146 -2.036 -0.664 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.742 -2.978 0.444 1.00 0.00 C ATOM 716 CE2 PHE A 45 8.062 -3.354 -0.172 1.00 0.00 C ATOM 717 CZ PHE A 45 6.854 -3.833 0.366 1.00 0.00 C ATOM 0 H PHE A 45 7.311 -0.814 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 45 5.230 0.670 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.132 0.486 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.775 0.924 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.967 -1.017 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.074 -1.677 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.820 -3.330 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.928 -3.998 -0.208 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.782 -4.852 0.717 1.00 0.00 H new ATOM 727 N VAL A 46 5.952 2.886 -2.978 1.00 0.00 N ATOM 728 CA VAL A 46 5.994 4.044 -3.851 1.00 0.00 C ATOM 729 C VAL A 46 6.089 5.298 -2.989 1.00 0.00 C ATOM 730 O VAL A 46 5.133 5.659 -2.298 1.00 0.00 O ATOM 731 CB VAL A 46 4.766 4.054 -4.774 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.851 5.243 -5.727 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.629 2.770 -5.607 1.00 0.00 C ATOM 0 H VAL A 46 5.320 3.004 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 46 6.870 4.009 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 46 3.891 4.126 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.979 5.248 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.879 6.169 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.756 5.162 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.743 2.839 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.512 2.647 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.534 1.912 -4.941 1.00 0.00 H new ATOM 743 N ASP A 47 7.259 5.927 -3.006 1.00 0.00 N ATOM 744 CA ASP A 47 7.564 7.123 -2.230 1.00 0.00 C ATOM 745 C ASP A 47 6.720 8.329 -2.677 1.00 0.00 C ATOM 746 O ASP A 47 6.732 8.707 -3.851 1.00 0.00 O ATOM 747 CB ASP A 47 9.067 7.406 -2.334 1.00 0.00 C ATOM 748 CG ASP A 47 9.553 8.426 -1.307 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.727 9.118 -0.669 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.784 8.549 -1.153 1.00 0.00 O ATOM 0 H ASP A 47 8.043 5.610 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 47 7.303 6.949 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.617 6.474 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.294 7.770 -3.336 1.00 0.00 H new ATOM 755 N ILE A 48 5.959 8.938 -1.763 1.00 0.00 N ATOM 756 CA ILE A 48 5.203 10.172 -1.988 1.00 0.00 C ATOM 757 C ILE A 48 6.097 11.406 -2.012 1.00 0.00 C ATOM 758 O ILE A 48 5.689 12.442 -2.535 1.00 0.00 O ATOM 759 CB ILE A 48 4.054 10.339 -0.967 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.445 10.481 0.522 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.081 9.162 -1.152 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.259 10.910 1.404 1.00 0.00 C ATOM 0 H ILE A 48 5.849 8.574 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 48 4.757 10.079 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 48 3.604 11.306 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.837 9.531 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.247 11.213 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.259 9.255 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.687 9.172 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.607 8.224 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.588 10.995 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.882 11.874 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.466 10.165 1.335 1.00 0.00 H new ATOM 774 N THR A 49 7.292 11.317 -1.441 1.00 0.00 N ATOM 775 CA THR A 49 8.248 12.404 -1.365 1.00 0.00 C ATOM 776 C THR A 49 9.150 12.429 -2.610 1.00 0.00 C ATOM 777 O THR A 49 9.964 13.340 -2.735 1.00 0.00 O ATOM 778 CB THR A 49 9.025 12.327 -0.031 1.00 0.00 C ATOM 779 OG1 THR A 49 10.005 11.310 0.019 1.00 0.00 O ATOM 780 CG2 THR A 49 8.132 12.094 1.195 1.00 0.00 C ATOM 0 H THR A 49 7.629 10.458 -1.006 1.00 0.00 H new ATOM 0 HA THR A 49 7.724 13.360 -1.366 1.00 0.00 H new ATOM 0 HB THR A 49 9.493 13.311 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.569 10.441 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.750 12.052 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.417 12.912 1.285 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.594 11.153 1.080 1.00 0.00 H new ATOM 788 N ALA A 50 8.997 11.464 -3.533 1.00 0.00 N ATOM 789 CA ALA A 50 9.836 11.296 -4.715 1.00 0.00 C ATOM 790 C ALA A 50 9.962 12.605 -5.494 1.00 0.00 C ATOM 791 O ALA A 50 11.071 13.110 -5.652 1.00 0.00 O ATOM 792 CB ALA A 50 9.282 10.170 -5.593 1.00 0.00 C ATOM 0 H ALA A 50 8.261 10.761 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 50 10.840 11.018 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.914 10.051 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.270 9.239 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.268 10.418 -5.905 1.00 0.00 H new ATOM 798 N THR A 51 8.836 13.175 -5.938 1.00 0.00 N ATOM 799 CA THR A 51 8.810 14.522 -6.492 1.00 0.00 C ATOM 800 C THR A 51 7.453 15.189 -6.217 1.00 0.00 C ATOM 801 O THR A 51 7.400 16.037 -5.324 1.00 0.00 O ATOM 802 CB THR A 51 9.403 14.544 -7.917 1.00 0.00 C ATOM 803 OG1 THR A 51 10.441 15.497 -8.010 1.00 0.00 O ATOM 804 CG2 THR A 51 8.423 14.839 -9.029 1.00 0.00 C ATOM 0 H THR A 51 7.926 12.714 -5.921 1.00 0.00 H new ATOM 0 HA THR A 51 9.492 15.198 -5.976 1.00 0.00 H new ATOM 0 HB THR A 51 9.758 13.524 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.806 15.496 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.945 14.830 -9.986 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.641 14.080 -9.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.976 15.820 -8.869 1.00 0.00 H new ATOM 812 N ASN A 52 6.365 14.740 -6.867 1.00 0.00 N ATOM 813 CA ASN A 52 5.108 15.473 -7.096 1.00 0.00 C ATOM 814 C ASN A 52 4.714 16.420 -5.957 1.00 0.00 C ATOM 815 O ASN A 52 5.066 17.596 -6.033 1.00 0.00 O ATOM 816 CB ASN A 52 3.980 14.504 -7.498 1.00 0.00 C ATOM 817 CG ASN A 52 2.622 15.206 -7.548 1.00 0.00 C ATOM 818 OD1 ASN A 52 2.437 16.197 -8.245 1.00 0.00 O ATOM 819 ND2 ASN A 52 1.653 14.725 -6.787 1.00 0.00 N ATOM 0 H ASN A 52 6.338 13.803 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 52 5.287 16.144 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.202 14.072 -8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.938 13.680 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.740 15.179 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.819 13.900 -6.211 1.00 0.00 H new ATOM 826 N HIS A 53 4.013 15.930 -4.931 1.00 0.00 N ATOM 827 CA HIS A 53 3.628 16.655 -3.727 1.00 0.00 C ATOM 828 C HIS A 53 3.207 15.610 -2.697 1.00 0.00 C ATOM 829 O HIS A 53 2.077 15.119 -2.766 1.00 0.00 O ATOM 830 CB HIS A 53 2.471 17.638 -3.985 1.00 0.00 C ATOM 831 CG HIS A 53 2.908 18.969 -4.533 1.00 0.00 C ATOM 832 ND1 HIS A 53 2.640 19.466 -5.788 1.00 0.00 N ATOM 833 CD2 HIS A 53 3.708 19.869 -3.887 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.307 20.623 -5.912 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.969 20.912 -4.779 1.00 0.00 N ATOM 0 H HIS A 53 3.683 14.965 -4.922 1.00 0.00 H new ATOM 0 HA HIS A 53 4.468 17.254 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.770 17.182 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.931 17.801 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.072 19.789 -2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.311 21.238 -6.800 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.549 21.733 -4.604 1.00 0.00 H new ATOM 843 N THR A 54 4.070 15.253 -1.747 1.00 0.00 N ATOM 844 CA THR A 54 3.764 14.265 -0.710 1.00 0.00 C ATOM 845 C THR A 54 2.460 14.683 -0.055 1.00 0.00 C ATOM 846 O THR A 54 1.505 13.919 -0.020 1.00 0.00 O ATOM 847 CB THR A 54 4.873 14.018 0.329 1.00 0.00 C ATOM 848 OG1 THR A 54 4.390 13.706 1.621 1.00 0.00 O ATOM 849 CG2 THR A 54 5.700 15.237 0.612 1.00 0.00 C ATOM 0 H THR A 54 5.009 15.644 -1.674 1.00 0.00 H new ATOM 0 HA THR A 54 3.678 13.295 -1.199 1.00 0.00 H new ATOM 0 HB THR A 54 5.427 13.202 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.133 13.406 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.463 14.995 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.180 15.573 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.059 16.030 0.997 1.00 0.00 H new ATOM 857 N ASN A 55 2.493 15.858 0.566 1.00 0.00 N ATOM 858 CA ASN A 55 1.415 16.447 1.340 1.00 0.00 C ATOM 859 C ASN A 55 0.164 16.766 0.506 1.00 0.00 C ATOM 860 O ASN A 55 -0.854 17.107 1.097 1.00 0.00 O ATOM 861 CB ASN A 55 1.920 17.675 2.111 1.00 0.00 C ATOM 862 CG ASN A 55 1.389 17.677 3.541 1.00 0.00 C ATOM 863 OD1 ASN A 55 1.768 16.814 4.335 1.00 0.00 O ATOM 864 ND2 ASN A 55 0.556 18.633 3.908 1.00 0.00 N ATOM 0 H ASN A 55 3.320 16.454 0.539 1.00 0.00 H new ATOM 0 HA ASN A 55 1.093 15.693 2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.010 17.678 2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.604 18.585 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.211 18.669 4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.257 19.336 3.232 1.00 0.00 H new ATOM 871 N GLU A 56 0.178 16.642 -0.832 1.00 0.00 N ATOM 872 CA GLU A 56 -1.065 16.548 -1.592 1.00 0.00 C ATOM 873 C GLU A 56 -1.492 15.083 -1.700 1.00 0.00 C ATOM 874 O GLU A 56 -2.684 14.809 -1.772 1.00 0.00 O ATOM 875 CB GLU A 56 -1.003 17.264 -2.960 1.00 0.00 C ATOM 876 CG GLU A 56 -0.937 16.269 -4.124 1.00 0.00 C ATOM 877 CD GLU A 56 -0.981 16.846 -5.530 1.00 0.00 C ATOM 878 OE1 GLU A 56 -1.362 18.024 -5.709 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.760 16.065 -6.484 1.00 0.00 O ATOM 0 H GLU A 56 1.027 16.606 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.836 17.089 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.880 17.901 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.130 17.915 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.018 15.691 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.766 15.570 -4.019 1.00 0.00 H new ATOM 886 N ILE A 57 -0.546 14.151 -1.828 1.00 0.00 N ATOM 887 CA ILE A 57 -0.835 12.782 -2.206 1.00 0.00 C ATOM 888 C ILE A 57 -1.530 12.123 -1.016 1.00 0.00 C ATOM 889 O ILE A 57 -2.576 11.496 -1.179 1.00 0.00 O ATOM 890 CB ILE A 57 0.463 12.045 -2.632 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.847 12.323 -4.101 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.201 10.534 -2.532 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.334 12.053 -4.373 1.00 0.00 C ATOM 0 H ILE A 57 0.445 14.334 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.493 12.739 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 57 1.267 12.393 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.240 11.699 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.617 13.360 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.098 9.989 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.059 10.277 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.622 10.263 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.556 12.263 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.943 12.696 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.560 11.009 -4.156 1.00 0.00 H new ATOM 905 N GLN A 58 -0.936 12.259 0.172 1.00 0.00 N ATOM 906 CA GLN A 58 -1.503 11.740 1.404 1.00 0.00 C ATOM 907 C GLN A 58 -2.913 12.284 1.599 1.00 0.00 C ATOM 908 O GLN A 58 -3.834 11.542 1.895 1.00 0.00 O ATOM 909 CB GLN A 58 -0.552 11.998 2.568 1.00 0.00 C ATOM 910 CG GLN A 58 -0.138 13.441 2.849 1.00 0.00 C ATOM 911 CD GLN A 58 -1.151 14.308 3.617 1.00 0.00 C ATOM 912 OE1 GLN A 58 -1.110 15.524 3.522 1.00 0.00 O ATOM 913 NE2 GLN A 58 -2.096 13.764 4.371 1.00 0.00 N ATOM 0 H GLN A 58 -0.043 12.736 0.299 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.612 10.657 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.015 11.601 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.354 11.418 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.794 13.425 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.074 13.927 1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.151 12.750 4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.768 14.359 4.856 1.00 0.00 H new ATOM 922 N ASP A 59 -3.066 13.577 1.363 1.00 0.00 N ATOM 923 CA ASP A 59 -4.332 14.311 1.430 1.00 0.00 C ATOM 924 C ASP A 59 -5.380 13.674 0.524 1.00 0.00 C ATOM 925 O ASP A 59 -6.436 13.228 0.966 1.00 0.00 O ATOM 926 CB ASP A 59 -4.094 15.766 1.020 1.00 0.00 C ATOM 927 CG ASP A 59 -5.189 16.676 1.545 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.232 16.812 0.873 1.00 0.00 O ATOM 929 OD2 ASP A 59 -4.970 17.265 2.632 1.00 0.00 O ATOM 0 H ASP A 59 -2.280 14.175 1.108 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.707 14.275 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.128 16.099 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.050 15.837 -0.067 1.00 0.00 H new ATOM 934 N TYR A 60 -5.023 13.572 -0.752 1.00 0.00 N ATOM 935 CA TYR A 60 -5.817 13.017 -1.839 1.00 0.00 C ATOM 936 C TYR A 60 -6.243 11.575 -1.543 1.00 0.00 C ATOM 937 O TYR A 60 -7.311 11.164 -1.992 1.00 0.00 O ATOM 938 CB TYR A 60 -4.987 13.122 -3.130 1.00 0.00 C ATOM 939 CG TYR A 60 -5.646 12.765 -4.456 1.00 0.00 C ATOM 940 CD1 TYR A 60 -5.953 11.424 -4.763 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.831 13.754 -5.450 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.541 11.093 -5.994 1.00 0.00 C ATOM 943 CE2 TYR A 60 -6.422 13.423 -6.680 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.820 12.099 -6.940 1.00 0.00 C ATOM 945 OH TYR A 60 -7.340 11.766 -8.148 1.00 0.00 O ATOM 0 H TYR A 60 -4.111 13.897 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.743 13.581 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.624 14.147 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.112 12.482 -3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.734 10.646 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.516 14.770 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.780 10.064 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.571 14.187 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.474 12.577 -8.681 1.00 0.00 H new ATOM 955 N LEU A 61 -5.467 10.789 -0.783 1.00 0.00 N ATOM 956 CA LEU A 61 -5.889 9.446 -0.385 1.00 0.00 C ATOM 957 C LEU A 61 -7.176 9.478 0.437 1.00 0.00 C ATOM 958 O LEU A 61 -7.968 8.540 0.337 1.00 0.00 O ATOM 959 CB LEU A 61 -4.830 8.703 0.437 1.00 0.00 C ATOM 960 CG LEU A 61 -3.618 8.131 -0.304 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.758 7.430 0.758 1.00 0.00 C ATOM 962 CD2 LEU A 61 -4.089 7.145 -1.378 1.00 0.00 C ATOM 0 H LEU A 61 -4.548 11.062 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.049 8.915 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.462 9.386 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.324 7.881 0.954 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.043 8.906 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.875 7.001 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.450 8.154 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.338 6.637 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.225 6.739 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.642 6.332 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.736 7.661 -2.087 1.00 0.00 H new ATOM 974 N GLN A 62 -7.428 10.544 1.203 1.00 0.00 N ATOM 975 CA GLN A 62 -8.669 10.669 1.954 1.00 0.00 C ATOM 976 C GLN A 62 -9.857 10.657 0.993 1.00 0.00 C ATOM 977 O GLN A 62 -10.890 10.062 1.293 1.00 0.00 O ATOM 978 CB GLN A 62 -8.659 11.946 2.803 1.00 0.00 C ATOM 979 CG GLN A 62 -9.535 11.797 4.056 1.00 0.00 C ATOM 980 CD GLN A 62 -9.636 13.103 4.834 1.00 0.00 C ATOM 981 OE1 GLN A 62 -9.007 13.276 5.872 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.368 14.070 4.314 1.00 0.00 N ATOM 0 H GLN A 62 -6.786 11.329 1.316 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.762 9.821 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.636 12.179 3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.017 12.784 2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.533 11.469 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.120 11.022 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.885 13.910 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.416 14.978 4.776 1.00 0.00 H new ATOM 991 N GLN A 63 -9.693 11.276 -0.176 1.00 0.00 N ATOM 992 CA GLN A 63 -10.681 11.303 -1.237 1.00 0.00 C ATOM 993 C GLN A 63 -10.720 9.963 -1.984 1.00 0.00 C ATOM 994 O GLN A 63 -11.800 9.440 -2.253 1.00 0.00 O ATOM 995 CB GLN A 63 -10.348 12.467 -2.192 1.00 0.00 C ATOM 996 CG GLN A 63 -11.612 13.122 -2.757 1.00 0.00 C ATOM 997 CD GLN A 63 -12.127 14.247 -1.861 1.00 0.00 C ATOM 998 OE1 GLN A 63 -11.828 15.415 -2.096 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.890 13.959 -0.823 1.00 0.00 N ATOM 0 H GLN A 63 -8.841 11.786 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.672 11.459 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.758 13.214 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.732 12.099 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.401 13.518 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.390 12.367 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.139 12.990 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.230 14.706 -0.217 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.554 9.452 -2.399 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.445 8.349 -3.351 1.00 0.00 C ATOM 1010 C LEU A 64 -9.767 7.010 -2.665 1.00 0.00 C ATOM 1011 O LEU A 64 -10.288 6.120 -3.336 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.052 8.383 -4.017 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.489 7.079 -4.624 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.262 6.675 -5.889 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.023 7.271 -5.048 1.00 0.00 C ATOM 0 H LEU A 64 -8.651 9.800 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.182 8.460 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.083 9.130 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.338 8.737 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.582 6.311 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.842 5.754 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.311 6.517 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.181 7.467 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.643 6.342 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.961 8.064 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.425 7.543 -4.178 1.00 0.00 H new ATOM 1027 N THR A 65 -9.498 6.845 -1.365 1.00 0.00 N ATOM 1028 CA THR A 65 -9.903 5.672 -0.595 1.00 0.00 C ATOM 1029 C THR A 65 -10.796 6.083 0.574 1.00 0.00 C ATOM 1030 O THR A 65 -11.969 5.696 0.629 1.00 0.00 O ATOM 1031 CB THR A 65 -8.682 4.830 -0.175 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.826 5.423 0.781 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.795 4.506 -1.367 1.00 0.00 C ATOM 0 H THR A 65 -8.986 7.534 -0.814 1.00 0.00 H new ATOM 0 HA THR A 65 -10.504 5.020 -1.228 1.00 0.00 H new ATOM 0 HB THR A 65 -9.146 3.950 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.779 6.389 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.943 3.911 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.367 3.942 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.438 5.432 -1.817 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.271 6.879 1.508 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.003 7.224 2.714 1.00 0.00 C ATOM 1043 C GLY A 66 -10.163 7.897 3.785 1.00 0.00 C ATOM 1044 O GLY A 66 -10.697 8.760 4.487 1.00 0.00 O ATOM 0 H GLY A 66 -9.341 7.293 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.828 7.885 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.442 6.317 3.130 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.885 7.533 3.934 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.013 8.065 4.976 1.00 0.00 C ATOM 1050 C ALA A 67 -6.854 8.818 4.341 1.00 0.00 C ATOM 1051 O ALA A 67 -6.350 8.418 3.295 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.485 6.934 5.861 1.00 0.00 C ATOM 0 H ALA A 67 -8.426 6.854 3.327 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.587 8.751 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.836 7.348 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.323 6.418 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.919 6.229 5.252 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.415 9.895 4.989 1.00 0.00 N ATOM 1059 CA ARG A 68 -5.372 10.783 4.472 1.00 0.00 C ATOM 1060 C ARG A 68 -3.965 10.264 4.771 1.00 0.00 C ATOM 1061 O ARG A 68 -2.995 11.034 4.806 1.00 0.00 O ATOM 1062 CB ARG A 68 -5.605 12.204 5.007 1.00 0.00 C ATOM 1063 CG ARG A 68 -5.012 12.505 6.393 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.927 13.491 7.131 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.298 14.064 8.325 1.00 0.00 N ATOM 1066 CZ ARG A 68 -4.429 15.082 8.360 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -4.002 15.691 7.262 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -3.979 15.502 9.529 1.00 0.00 N ATOM 0 H ARG A 68 -6.777 10.180 5.899 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.440 10.808 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.187 12.913 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.679 12.385 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.913 11.584 6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.012 12.926 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.209 14.296 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.846 12.981 7.419 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.548 13.644 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.336 15.387 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.339 16.463 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.294 15.052 10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.317 16.276 9.572 1.00 0.00 H new ATOM 1082 N THR A 69 -3.855 9.001 5.154 1.00 0.00 N ATOM 1083 CA THR A 69 -2.715 8.494 5.875 1.00 0.00 C ATOM 1084 C THR A 69 -1.843 7.650 4.969 1.00 0.00 C ATOM 1085 O THR A 69 -2.217 7.208 3.883 1.00 0.00 O ATOM 1086 CB THR A 69 -3.211 7.730 7.110 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.229 6.815 6.756 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.749 8.709 8.155 1.00 0.00 C ATOM 0 H THR A 69 -4.568 8.296 4.967 1.00 0.00 H new ATOM 0 HA THR A 69 -2.086 9.315 6.218 1.00 0.00 H new ATOM 0 HB THR A 69 -2.369 7.178 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.531 6.336 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.098 8.155 9.027 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.956 9.394 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.577 9.276 7.730 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.634 7.439 5.450 1.00 0.00 N ATOM 1097 CA VAL A 70 0.403 6.631 4.884 1.00 0.00 C ATOM 1098 C VAL A 70 1.016 5.846 6.049 1.00 0.00 C ATOM 1099 O VAL A 70 1.064 6.377 7.161 1.00 0.00 O ATOM 1100 CB VAL A 70 1.407 7.545 4.172 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.881 7.804 2.761 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.597 8.929 4.851 1.00 0.00 C ATOM 0 H VAL A 70 -0.336 7.872 6.325 1.00 0.00 H new ATOM 0 HA VAL A 70 0.044 5.927 4.133 1.00 0.00 H new ATOM 0 HB VAL A 70 2.370 7.035 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.575 8.453 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.787 6.858 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.095 8.286 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.322 9.515 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.644 9.457 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.958 8.788 5.870 1.00 0.00 H new ATOM 1112 N PRO A 71 1.436 4.593 5.843 1.00 0.00 N ATOM 1113 CA PRO A 71 1.290 3.831 4.613 1.00 0.00 C ATOM 1114 C PRO A 71 -0.187 3.507 4.390 1.00 0.00 C ATOM 1115 O PRO A 71 -0.969 3.431 5.341 1.00 0.00 O ATOM 1116 CB PRO A 71 2.049 2.522 4.852 1.00 0.00 C ATOM 1117 CG PRO A 71 1.908 2.344 6.362 1.00 0.00 C ATOM 1118 CD PRO A 71 1.936 3.761 6.908 1.00 0.00 C ATOM 0 HA PRO A 71 1.664 4.379 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.611 1.690 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.093 2.594 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.978 1.837 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.721 1.744 6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.316 3.850 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.947 4.052 7.192 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.580 3.281 3.141 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.944 2.886 2.819 1.00 0.00 C ATOM 1128 C ARG A 72 -1.849 1.957 1.619 1.00 0.00 C ATOM 1129 O ARG A 72 -1.162 2.292 0.644 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.782 4.166 2.624 1.00 0.00 C ATOM 1131 CG ARG A 72 -4.262 3.917 2.275 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.578 4.308 0.828 1.00 0.00 C ATOM 1133 NE ARG A 72 -3.533 3.815 -0.088 1.00 0.00 N ATOM 1134 CZ ARG A 72 -3.689 3.166 -1.234 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -4.861 3.192 -1.835 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -2.662 2.495 -1.743 1.00 0.00 N ATOM 0 H ARG A 72 0.033 3.366 2.330 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.459 2.332 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.733 4.759 3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.331 4.763 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.499 2.864 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.896 4.488 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.545 3.897 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.656 5.392 0.748 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.570 3.996 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.636 3.707 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.993 2.697 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.767 2.483 -1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.768 1.991 -2.624 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.493 0.797 1.686 1.00 0.00 N ATOM 1151 CA VAL A 73 -2.232 -0.338 0.806 1.00 0.00 C ATOM 1152 C VAL A 73 -3.383 -0.489 -0.190 1.00 0.00 C ATOM 1153 O VAL A 73 -4.544 -0.559 0.213 1.00 0.00 O ATOM 1154 CB VAL A 73 -2.063 -1.599 1.681 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -2.035 -2.890 0.849 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.840 -1.528 2.612 1.00 0.00 C ATOM 0 H VAL A 73 -3.228 0.615 2.369 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.319 -0.185 0.230 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.949 -1.627 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.914 -3.747 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.970 -2.987 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.201 -2.853 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.777 -2.444 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.065 -1.417 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.941 -0.673 3.281 1.00 0.00 H new ATOM 1166 N PHE A 74 -3.066 -0.564 -1.484 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.936 -1.135 -2.498 1.00 0.00 C ATOM 1168 C PHE A 74 -3.504 -2.594 -2.637 1.00 0.00 C ATOM 1169 O PHE A 74 -2.334 -2.853 -2.914 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.790 -0.428 -3.860 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.559 0.868 -4.057 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.945 0.911 -3.836 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -3.917 2.016 -4.558 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.686 2.068 -4.130 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -4.656 3.185 -4.833 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.047 3.206 -4.641 1.00 0.00 C ATOM 0 H PHE A 74 -2.180 -0.222 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.979 -1.025 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.732 -0.221 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.100 -1.126 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.448 0.044 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.851 2.001 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.753 2.081 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.150 4.068 -5.193 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.618 4.090 -4.884 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.422 -3.543 -2.484 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.268 -4.903 -2.973 1.00 0.00 C ATOM 1188 C ILE A 75 -5.173 -4.933 -4.219 1.00 0.00 C ATOM 1189 O ILE A 75 -6.382 -4.732 -4.126 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.561 -5.920 -1.830 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.293 -6.600 -1.255 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.463 -7.066 -2.302 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.497 -5.861 -0.192 1.00 0.00 C ATOM 0 H ILE A 75 -5.309 -3.382 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.263 -5.203 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.039 -5.310 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.592 -7.562 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.621 -6.809 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.642 -7.752 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.413 -6.661 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.976 -7.600 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.641 -6.466 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.146 -4.911 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.132 -5.675 0.674 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.582 -5.075 -5.411 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.303 -5.135 -6.682 1.00 0.00 C ATOM 1207 C GLY A 76 -6.238 -3.941 -6.881 1.00 0.00 C ATOM 1208 O GLY A 76 -7.432 -4.124 -7.075 1.00 0.00 O ATOM 0 H GLY A 76 -3.571 -5.153 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.586 -5.171 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.882 -6.057 -6.724 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.690 -2.719 -6.843 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.378 -1.426 -6.801 1.00 0.00 C ATOM 1214 C LYS A 77 -7.537 -1.286 -5.799 1.00 0.00 C ATOM 1215 O LYS A 77 -8.108 -0.197 -5.740 1.00 0.00 O ATOM 1216 CB LYS A 77 -6.839 -1.034 -8.224 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.418 0.409 -8.536 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.276 1.113 -9.591 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.285 0.361 -10.928 1.00 0.00 C ATOM 1220 NZ LYS A 77 -7.823 1.198 -12.016 1.00 0.00 N ATOM 0 H LYS A 77 -4.677 -2.602 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.629 -0.733 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.404 -1.714 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.922 -1.130 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.451 0.990 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.382 0.406 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.297 1.207 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.899 2.124 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.271 0.047 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.885 -0.544 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.815 0.659 -12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.799 1.477 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.235 2.050 -12.122 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.852 -2.275 -4.969 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.841 -2.156 -3.899 1.00 0.00 C ATOM 1236 C ASP A 78 -8.087 -1.836 -2.603 1.00 0.00 C ATOM 1237 O ASP A 78 -6.954 -2.294 -2.434 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.664 -3.445 -3.795 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.956 -3.179 -3.029 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.889 -2.862 -1.822 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -12.043 -3.198 -3.654 1.00 0.00 O ATOM 0 H ASP A 78 -7.421 -3.198 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.551 -1.354 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.894 -3.821 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.084 -4.217 -3.289 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.620 -0.981 -1.724 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.883 -0.488 -0.566 1.00 0.00 C ATOM 1248 C CYS A 79 -8.277 -1.206 0.717 1.00 0.00 C ATOM 1249 O CYS A 79 -9.436 -1.173 1.142 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.979 1.032 -0.447 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.735 1.588 0.749 1.00 0.00 S ATOM 0 H CYS A 79 -9.569 -0.616 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.831 -0.724 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.810 1.500 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.977 1.325 -0.121 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.691 0.817 0.679 1.00 0.00 H new ATOM 1257 N ILE A 80 -7.274 -1.790 1.376 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.468 -2.641 2.544 1.00 0.00 C ATOM 1259 C ILE A 80 -7.590 -1.789 3.809 1.00 0.00 C ATOM 1260 O ILE A 80 -8.177 -2.237 4.793 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.342 -3.700 2.603 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.017 -3.164 3.166 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.050 -4.290 1.209 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.899 -3.286 4.685 1.00 0.00 C ATOM 0 H ILE A 80 -6.296 -1.682 1.108 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.407 -3.189 2.467 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.723 -4.465 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.191 -3.703 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.911 -2.116 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.254 -5.031 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.950 -4.765 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.739 -3.492 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.938 -2.887 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.703 -2.723 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.972 -4.335 4.973 1.00 0.00 H new ATOM 1276 N GLY A 81 -7.056 -0.566 3.780 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.935 0.299 4.935 1.00 0.00 C ATOM 1278 C GLY A 81 -5.506 0.806 5.097 1.00 0.00 C ATOM 1279 O GLY A 81 -4.681 0.737 4.171 1.00 0.00 O ATOM 0 H GLY A 81 -6.689 -0.147 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.614 1.145 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.235 -0.243 5.832 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.243 1.344 6.286 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.965 1.908 6.694 1.00 0.00 C ATOM 1285 C GLY A 82 -3.147 0.889 7.478 1.00 0.00 C ATOM 1286 O GLY A 82 -3.431 -0.307 7.420 1.00 0.00 O ATOM 0 H GLY A 82 -5.948 1.400 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.407 2.229 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.133 2.794 7.306 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.113 1.327 8.206 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.250 0.403 8.933 1.00 0.00 C ATOM 1292 C CYS A 83 -2.029 -0.293 10.044 1.00 0.00 C ATOM 1293 O CYS A 83 -1.767 -1.464 10.293 1.00 0.00 O ATOM 1294 CB CYS A 83 0.019 1.073 9.489 1.00 0.00 C ATOM 1295 SG CYS A 83 -0.272 2.776 10.036 1.00 0.00 S ATOM 0 H CYS A 83 -1.859 2.310 8.304 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.912 -0.342 8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.398 0.486 10.326 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.793 1.069 8.721 1.00 0.00 H new ATOM 0 HG CYS A 83 0.749 3.191 10.726 1.00 0.00 H new ATOM 1301 N SER A 84 -2.990 0.386 10.683 1.00 0.00 N ATOM 1302 CA SER A 84 -3.728 -0.231 11.775 1.00 0.00 C ATOM 1303 C SER A 84 -4.504 -1.463 11.291 1.00 0.00 C ATOM 1304 O SER A 84 -4.488 -2.512 11.938 1.00 0.00 O ATOM 1305 CB SER A 84 -4.667 0.771 12.451 1.00 0.00 C ATOM 1306 OG SER A 84 -3.941 1.836 13.044 1.00 0.00 O ATOM 0 H SER A 84 -3.266 1.343 10.464 1.00 0.00 H new ATOM 0 HA SER A 84 -3.000 -0.559 12.517 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.367 1.169 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.258 0.262 13.212 1.00 0.00 H new ATOM 0 HG SER A 84 -4.565 2.462 13.467 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.131 -1.335 10.122 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.874 -2.393 9.452 1.00 0.00 C ATOM 1314 C ASP A 85 -4.871 -3.451 9.042 1.00 0.00 C ATOM 1315 O ASP A 85 -5.002 -4.615 9.410 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.548 -1.825 8.189 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.573 -0.763 8.530 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.605 -1.093 9.153 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -7.307 0.431 8.258 1.00 0.00 O ATOM 0 H ASP A 85 -5.133 -0.459 9.600 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.639 -2.806 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.789 -1.401 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.030 -2.633 7.639 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.839 -3.039 8.305 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.829 -3.907 7.733 1.00 0.00 C ATOM 1326 C LEU A 86 -2.217 -4.833 8.778 1.00 0.00 C ATOM 1327 O LEU A 86 -1.986 -5.997 8.470 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.750 -3.035 7.088 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.702 -3.824 6.298 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.327 -4.481 5.064 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.417 -2.842 5.935 1.00 0.00 C ATOM 0 H LEU A 86 -3.685 -2.055 8.087 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.296 -4.546 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.228 -2.317 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.247 -2.461 7.867 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.294 -4.643 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.562 -5.035 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.117 -5.164 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.748 -3.712 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.189 -3.363 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.008 -2.032 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.851 -2.431 6.847 1.00 0.00 H new ATOM 1343 N VAL A 87 -1.978 -4.344 9.997 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.533 -5.134 11.116 1.00 0.00 C ATOM 1345 C VAL A 87 -2.561 -6.237 11.381 1.00 0.00 C ATOM 1346 O VAL A 87 -2.173 -7.393 11.284 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.270 -4.172 12.289 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.142 -4.912 13.612 1.00 0.00 C ATOM 1349 CG2 VAL A 87 0.011 -3.349 12.075 1.00 0.00 C ATOM 0 H VAL A 87 -2.096 -3.357 10.225 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.595 -5.659 10.933 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.132 -3.506 12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.957 -4.196 14.413 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.065 -5.454 13.816 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.312 -5.616 13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.161 -2.683 12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.865 -4.021 11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.084 -2.759 11.163 1.00 0.00 H new ATOM 1359 N SER A 88 -3.841 -5.950 11.673 1.00 0.00 N ATOM 1360 CA SER A 88 -4.855 -7.009 11.767 1.00 0.00 C ATOM 1361 C SER A 88 -4.871 -7.986 10.607 1.00 0.00 C ATOM 1362 O SER A 88 -4.789 -9.194 10.839 1.00 0.00 O ATOM 1363 CB SER A 88 -6.266 -6.498 12.043 1.00 0.00 C ATOM 1364 OG SER A 88 -6.670 -5.353 11.313 1.00 0.00 O ATOM 0 H SER A 88 -4.192 -5.008 11.845 1.00 0.00 H new ATOM 0 HA SER A 88 -4.523 -7.566 12.643 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.969 -7.304 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.347 -6.273 13.106 1.00 0.00 H new ATOM 0 HG SER A 88 -5.909 -5.004 10.804 1.00 0.00 H new ATOM 1370 N LEU A 89 -4.992 -7.481 9.382 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.083 -8.331 8.222 1.00 0.00 C ATOM 1372 C LEU A 89 -3.818 -9.201 8.124 1.00 0.00 C ATOM 1373 O LEU A 89 -3.921 -10.343 7.698 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.356 -7.491 6.961 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.788 -6.948 6.785 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.105 -5.677 7.567 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.023 -6.637 5.304 1.00 0.00 C ATOM 0 H LEU A 89 -5.028 -6.482 9.178 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.929 -9.012 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.669 -6.645 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.113 -8.098 6.089 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.438 -7.731 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.136 -5.379 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.974 -5.864 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.432 -4.879 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.034 -6.252 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.303 -5.890 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.900 -7.547 4.717 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.635 -8.740 8.538 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.437 -9.574 8.554 1.00 0.00 C ATOM 1391 C GLN A 90 -1.530 -10.619 9.682 1.00 0.00 C ATOM 1392 O GLN A 90 -1.299 -11.803 9.440 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.189 -8.689 8.732 1.00 0.00 C ATOM 1394 CG GLN A 90 1.139 -9.470 8.604 1.00 0.00 C ATOM 1395 CD GLN A 90 2.049 -9.424 9.838 1.00 0.00 C ATOM 1396 OE1 GLN A 90 2.044 -8.490 10.641 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.883 -10.432 10.000 1.00 0.00 N ATOM 0 H GLN A 90 -2.484 -7.787 8.868 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.357 -10.104 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.207 -7.893 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.228 -8.211 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.908 -10.512 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.692 -9.077 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.885 -11.204 9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.526 -10.440 10.792 1.00 0.00 H new ATOM 1406 N GLN A 91 -1.815 -10.188 10.917 1.00 0.00 N ATOM 1407 CA GLN A 91 -1.716 -10.968 12.140 1.00 0.00 C ATOM 1408 C GLN A 91 -2.798 -12.049 12.163 1.00 0.00 C ATOM 1409 O GLN A 91 -2.487 -13.236 12.210 1.00 0.00 O ATOM 1410 CB GLN A 91 -1.869 -9.992 13.326 1.00 0.00 C ATOM 1411 CG GLN A 91 -0.692 -10.034 14.289 1.00 0.00 C ATOM 1412 CD GLN A 91 -0.844 -11.091 15.377 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -0.938 -12.279 15.097 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -0.891 -10.685 16.636 1.00 0.00 N ATOM 0 H GLN A 91 -2.137 -9.236 11.091 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.754 -11.476 12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.981 -8.978 12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.784 -10.230 13.869 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.222 -10.229 13.728 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.577 -9.056 14.755 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.811 -9.692 16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.007 -11.365 17.387 1.00 0.00 H new ATOM 1423 N SER A 92 -4.065 -11.633 12.082 1.00 0.00 N ATOM 1424 CA SER A 92 -5.224 -12.510 11.958 1.00 0.00 C ATOM 1425 C SER A 92 -5.229 -13.219 10.603 1.00 0.00 C ATOM 1426 O SER A 92 -5.943 -14.202 10.414 1.00 0.00 O ATOM 1427 CB SER A 92 -6.491 -11.658 12.095 1.00 0.00 C ATOM 1428 OG SER A 92 -7.455 -12.250 12.945 1.00 0.00 O ATOM 0 H SER A 92 -4.316 -10.645 12.102 1.00 0.00 H new ATOM 0 HA SER A 92 -5.185 -13.270 12.738 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.223 -10.675 12.484 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.928 -11.502 11.109 1.00 0.00 H new ATOM 0 HG SER A 92 -8.242 -11.669 13.001 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.453 -12.714 9.647 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.267 -13.328 8.358 1.00 0.00 C ATOM 1436 C GLY A 93 -5.389 -13.012 7.375 1.00 0.00 C ATOM 1437 O GLY A 93 -5.447 -13.668 6.333 1.00 0.00 O ATOM 0 H GLY A 93 -3.929 -11.846 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.319 -12.994 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.197 -14.408 8.484 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.271 -12.029 7.629 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.286 -11.729 6.621 1.00 0.00 C ATOM 1443 C GLU A 94 -6.652 -11.196 5.311 1.00 0.00 C ATOM 1444 O GLU A 94 -7.214 -11.361 4.223 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.348 -10.811 7.230 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.588 -10.699 6.336 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.767 -10.096 7.096 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -11.373 -10.816 7.924 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.108 -8.905 6.880 1.00 0.00 O ATOM 0 H GLU A 94 -6.300 -11.461 8.475 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.794 -12.645 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.639 -11.192 8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.923 -9.820 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.358 -10.082 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.860 -11.686 5.962 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.430 -10.642 5.377 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.673 -10.211 4.206 1.00 0.00 C ATOM 1458 C LEU A 95 -4.302 -11.387 3.316 1.00 0.00 C ATOM 1459 O LEU A 95 -4.084 -11.156 2.134 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.383 -9.428 4.549 1.00 0.00 C ATOM 1461 CG LEU A 95 -3.090 -8.348 3.483 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -4.068 -7.165 3.531 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -1.693 -7.768 3.678 1.00 0.00 C ATOM 0 H LEU A 95 -4.941 -10.482 6.258 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.345 -9.534 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.487 -8.959 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.541 -10.118 4.614 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.191 -8.858 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.805 -6.444 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.083 -7.525 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.011 -6.685 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.505 -7.009 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.621 -7.316 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.953 -8.563 3.588 1.00 0.00 H new ATOM 1475 N LEU A 96 -4.210 -12.620 3.828 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.840 -13.759 2.992 1.00 0.00 C ATOM 1477 C LEU A 96 -4.925 -13.967 1.946 1.00 0.00 C ATOM 1478 O LEU A 96 -4.622 -13.982 0.759 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.626 -15.059 3.791 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.288 -15.236 4.531 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.094 -15.313 3.578 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -2.045 -14.168 5.593 1.00 0.00 C ATOM 0 H LEU A 96 -4.385 -12.849 4.806 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.883 -13.527 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.428 -15.136 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.742 -15.897 3.104 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.376 -16.195 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.177 -15.438 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.219 -16.162 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.034 -14.394 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.086 -14.349 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.035 -13.184 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.841 -14.207 6.337 1.00 0.00 H new ATOM 1494 N THR A 97 -6.182 -14.065 2.371 1.00 0.00 N ATOM 1495 CA THR A 97 -7.333 -14.132 1.482 1.00 0.00 C ATOM 1496 C THR A 97 -7.357 -12.905 0.564 1.00 0.00 C ATOM 1497 O THR A 97 -7.428 -13.063 -0.657 1.00 0.00 O ATOM 1498 CB THR A 97 -8.590 -14.240 2.356 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.488 -15.380 3.188 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.881 -14.338 1.552 1.00 0.00 C ATOM 0 H THR A 97 -6.431 -14.100 3.360 1.00 0.00 H new ATOM 0 HA THR A 97 -7.284 -15.004 0.829 1.00 0.00 H new ATOM 0 HB THR A 97 -8.641 -13.321 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.289 -15.449 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.729 -14.412 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.991 -13.449 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.848 -15.223 0.917 1.00 0.00 H new ATOM 1508 N ARG A 98 -7.247 -11.694 1.135 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.218 -10.434 0.386 1.00 0.00 C ATOM 1510 C ARG A 98 -6.236 -10.523 -0.786 1.00 0.00 C ATOM 1511 O ARG A 98 -6.574 -10.209 -1.923 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.871 -9.282 1.328 1.00 0.00 C ATOM 1513 CG ARG A 98 -7.263 -7.947 0.683 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.087 -7.073 1.611 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.360 -7.669 2.037 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.555 -7.600 1.445 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -10.712 -6.964 0.288 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.596 -8.180 2.031 1.00 0.00 N ATOM 0 H ARG A 98 -7.175 -11.565 2.144 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.205 -10.244 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.394 -9.406 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.804 -9.290 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.361 -7.410 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.830 -8.140 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.493 -6.844 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.293 -6.127 1.111 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.327 -8.209 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.912 -6.519 -0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.632 -6.921 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.475 -8.668 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.516 -8.138 1.594 1.00 0.00 H new ATOM 1532 N LEU A 99 -5.005 -10.942 -0.499 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.924 -11.074 -1.455 1.00 0.00 C ATOM 1534 C LEU A 99 -4.194 -12.193 -2.440 1.00 0.00 C ATOM 1535 O LEU A 99 -4.060 -11.980 -3.641 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.624 -11.361 -0.687 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.979 -10.110 -0.086 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.991 -10.510 1.009 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -1.240 -9.342 -1.182 1.00 0.00 C ATOM 0 H LEU A 99 -4.729 -11.208 0.446 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.837 -10.147 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.833 -12.072 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.912 -11.839 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.755 -9.478 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.535 -9.615 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.517 -11.055 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.214 -11.146 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.780 -8.451 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.467 -9.978 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.945 -9.049 -1.960 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.511 -13.404 -1.984 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.656 -14.523 -2.906 1.00 0.00 C ATOM 1553 C LYS A 100 -5.783 -14.286 -3.900 1.00 0.00 C ATOM 1554 O LYS A 100 -5.670 -14.780 -5.021 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.820 -15.854 -2.163 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.564 -16.712 -2.377 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.825 -18.134 -1.877 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.562 -18.999 -1.896 1.00 0.00 C ATOM 1559 NZ LYS A 100 -2.890 -20.430 -1.738 1.00 0.00 N ATOM 0 H LYS A 100 -4.669 -13.631 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.731 -14.592 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.974 -15.673 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.701 -16.381 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.299 -16.730 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.719 -16.277 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.219 -18.093 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.591 -18.600 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.029 -18.847 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.892 -18.686 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.014 -20.991 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.378 -20.576 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.510 -20.732 -2.517 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.787 -13.479 -3.560 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.817 -13.055 -4.495 1.00 0.00 C ATOM 1575 C GLN A 101 -7.231 -12.345 -5.726 1.00 0.00 C ATOM 1576 O GLN A 101 -7.776 -12.496 -6.823 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.821 -12.174 -3.743 1.00 0.00 C ATOM 1578 CG GLN A 101 -10.101 -11.949 -4.547 1.00 0.00 C ATOM 1579 CD GLN A 101 -11.124 -11.175 -3.725 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.116 -9.947 -3.687 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.025 -11.867 -3.048 1.00 0.00 N ATOM 0 H GLN A 101 -6.905 -13.101 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.329 -13.934 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -9.069 -12.640 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.361 -11.212 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.871 -11.401 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.520 -12.909 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.021 -12.886 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.724 -11.382 -2.486 1.00 0.00 H new ATOM 1590 N ILE A 102 -6.123 -11.602 -5.604 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.464 -10.994 -6.772 1.00 0.00 C ATOM 1592 C ILE A 102 -4.587 -12.002 -7.532 1.00 0.00 C ATOM 1593 O ILE A 102 -4.239 -11.756 -8.688 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.705 -9.701 -6.400 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.380 -9.867 -5.648 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.552 -8.804 -5.521 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.258 -9.012 -6.235 1.00 0.00 C ATOM 0 H ILE A 102 -5.665 -11.407 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.252 -10.697 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.485 -9.283 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.525 -9.600 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.083 -10.915 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.992 -7.902 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.464 -8.532 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.810 -9.332 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.343 -9.169 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.090 -9.296 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.539 -7.960 -6.187 1.00 0.00 H new ATOM 1609 N GLY A 103 -4.276 -13.151 -6.924 1.00 0.00 N ATOM 1610 CA GLY A 103 -3.246 -14.078 -7.365 1.00 0.00 C ATOM 1611 C GLY A 103 -1.909 -13.549 -6.873 1.00 0.00 C ATOM 1612 O GLY A 103 -1.249 -12.816 -7.603 1.00 0.00 O ATOM 0 H GLY A 103 -4.756 -13.466 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.433 -15.075 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.247 -14.163 -8.452 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.556 -13.853 -5.622 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.375 -13.351 -4.932 1.00 0.00 C ATOM 1618 C ALA A 104 0.344 -14.472 -4.202 1.00 0.00 C ATOM 1619 O ALA A 104 1.415 -14.829 -4.664 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.800 -12.268 -3.944 1.00 0.00 C ATOM 0 H ALA A 104 -2.111 -14.482 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 104 0.315 -12.933 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.078 -11.886 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.285 -11.454 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.497 -12.689 -3.220 1.00 0.00 H new ATOM 1626 N LEU A 105 -0.114 -14.975 -3.044 1.00 0.00 N ATOM 1627 CA LEU A 105 0.699 -15.929 -2.331 1.00 0.00 C ATOM 1628 C LEU A 105 0.792 -17.196 -3.159 1.00 0.00 C ATOM 1629 O LEU A 105 -0.206 -17.661 -3.718 1.00 0.00 O ATOM 1630 CB LEU A 105 0.181 -16.273 -0.947 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.137 -15.175 0.081 1.00 0.00 C ATOM 1632 CD1 LEU A 105 0.803 -13.973 0.011 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -1.577 -14.681 -0.001 1.00 0.00 C ATOM 0 H LEU A 105 -1.006 -14.740 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 105 1.674 -15.466 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.731 -16.854 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.915 -16.935 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 105 0.016 -15.670 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.515 -13.242 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.826 -14.300 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.739 -13.518 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.740 -13.907 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.765 -14.270 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.258 -15.512 0.182 1.00 0.00 H new ATOM 1645 N GLN A 106 2.005 -17.705 -3.238 1.00 0.00 N ATOM 1646 CA GLN A 106 2.441 -18.603 -4.285 1.00 0.00 C ATOM 1647 C GLN A 106 2.552 -20.003 -3.723 1.00 0.00 C ATOM 1648 O GLN A 106 1.929 -20.924 -4.296 1.00 0.00 O ATOM 1649 CB GLN A 106 3.765 -18.069 -4.847 1.00 0.00 C ATOM 1650 CG GLN A 106 4.113 -18.694 -6.194 1.00 0.00 C ATOM 1651 CD GLN A 106 5.494 -18.236 -6.651 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.735 -17.057 -6.908 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.440 -19.151 -6.737 1.00 0.00 N ATOM 1654 OXT GLN A 106 3.274 -20.185 -2.716 1.00 0.00 O ATOM 0 H GLN A 106 2.734 -17.499 -2.555 1.00 0.00 H new ATOM 0 HA GLN A 106 1.726 -18.652 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.701 -16.986 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.567 -18.271 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.091 -19.781 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.366 -18.414 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.228 -20.125 -6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.383 -18.884 -7.019 1.00 0.00 H new TER 1663 GLN A 106