USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 92:sc= 0.0223 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0.208 USER MOD Set 2.1: A 36 TYR OH : rot -131:sc= 0.0677 USER MOD Set 2.2: A 59 ASN : amide:sc= -0.782 X(o=-0.71,f=-0.35) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc=-0.00978 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= -0.994! USER MOD Set 4.1: A 19 THR OG1 : rot -80:sc= 0.842 USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 14 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 17 THR OG1 : rot 40:sc= 0.0191 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc=-0.00302 (180deg=-0.0779) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 66:sc= 1.12 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= -0.0347 (180deg=-0.269) USER MOD Single : A 45 ASN :FLIP amide:sc= 0.41 F(o=-1.5,f=0.41) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.44! C(o=-3.4!,f=-6.6!) USER MOD Single : A 54 SER OG : rot 35:sc= 0.869 USER MOD Single : A 55 ASN : amide:sc= -4.95! C(o=-4.9!,f=-5.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -12.9! C(o=-15!,f=-13!) USER MOD Single : A 86 SER OG : rot -65:sc= 1.07 USER MOD Single : A 89 SER OG : rot -155:sc= 1.03 USER MOD Single : A 92 SER OG : rot -88:sc= -1.31! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 56:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.953 -3.783 -2.888 1.00 2.05 N ATOM 2 CA SER A 0 -24.876 -2.805 -2.587 1.00 1.55 C ATOM 3 C SER A 0 -23.499 -3.375 -2.925 1.00 1.39 C ATOM 4 O SER A 0 -22.922 -4.128 -2.140 1.00 1.50 O ATOM 5 CB SER A 0 -24.945 -2.446 -1.099 1.00 2.08 C ATOM 6 OG SER A 0 -25.867 -1.396 -0.866 1.00 2.74 O ATOM 0 H1 SER A 0 -26.876 -3.368 -2.648 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.933 -4.021 -3.900 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.805 -4.646 -2.326 1.00 2.05 H new ATOM 0 HA SER A 0 -25.022 -1.915 -3.198 1.00 1.55 H new ATOM 0 HB2 SER A 0 -25.238 -3.324 -0.524 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.957 -2.150 -0.748 1.00 2.08 H new ATOM 0 HG SER A 0 -25.892 -1.189 0.092 1.00 2.74 H new ATOM 12 N PRO A 1 -22.953 -3.023 -4.102 1.00 1.23 N ATOM 13 CA PRO A 1 -21.642 -3.499 -4.539 1.00 1.19 C ATOM 14 C PRO A 1 -20.511 -2.791 -3.806 1.00 1.24 C ATOM 15 O PRO A 1 -20.738 -2.115 -2.802 1.00 2.06 O ATOM 16 CB PRO A 1 -21.600 -3.155 -6.039 1.00 1.18 C ATOM 17 CG PRO A 1 -22.964 -2.641 -6.381 1.00 1.26 C ATOM 18 CD PRO A 1 -23.559 -2.137 -5.099 1.00 1.24 C ATOM 0 HA PRO A 1 -21.509 -4.562 -4.336 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.837 -2.405 -6.246 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.353 -4.034 -6.634 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.904 -1.844 -7.122 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.580 -3.430 -6.811 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.309 -1.091 -4.919 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.647 -2.210 -5.100 1.00 1.24 H new ATOM 26 N ILE A 2 -19.295 -2.943 -4.313 1.00 0.68 N ATOM 27 CA ILE A 2 -18.133 -2.310 -3.703 1.00 0.61 C ATOM 28 C ILE A 2 -17.066 -2.004 -4.743 1.00 0.57 C ATOM 29 O ILE A 2 -16.985 -2.663 -5.780 1.00 0.63 O ATOM 30 CB ILE A 2 -17.518 -3.195 -2.603 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.325 -2.490 -1.953 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.098 -4.539 -3.179 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.683 -3.286 -0.838 1.00 0.56 C ATOM 0 H ILE A 2 -19.088 -3.498 -5.143 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.482 -1.379 -3.256 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.272 -3.369 -1.835 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.576 -2.283 -2.717 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.653 -1.528 -1.559 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.665 -5.154 -2.390 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.969 -5.044 -3.596 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.358 -4.383 -3.964 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.845 -2.724 -0.425 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.417 -3.471 -0.054 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.323 -4.237 -1.230 1.00 0.56 H new ATOM 45 N ASP A 3 -16.246 -1.001 -4.457 1.00 0.55 N ATOM 46 CA ASP A 3 -15.179 -0.605 -5.364 1.00 0.54 C ATOM 47 C ASP A 3 -13.898 -0.312 -4.584 1.00 0.47 C ATOM 48 O ASP A 3 -13.909 0.473 -3.636 1.00 0.49 O ATOM 49 CB ASP A 3 -15.594 0.630 -6.167 1.00 0.61 C ATOM 50 CG ASP A 3 -16.637 0.309 -7.220 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.632 -0.830 -7.733 1.00 1.64 O ATOM 52 OD2 ASP A 3 -17.458 1.196 -7.532 1.00 2.00 O ATOM 0 H ASP A 3 -16.300 -0.447 -3.602 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.991 -1.428 -6.054 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.987 1.387 -5.488 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.715 1.060 -6.648 1.00 0.61 H new ATOM 57 N PRO A 4 -12.774 -0.940 -4.970 1.00 0.44 N ATOM 58 CA PRO A 4 -11.493 -0.734 -4.294 1.00 0.41 C ATOM 59 C PRO A 4 -10.846 0.595 -4.683 1.00 0.38 C ATOM 60 O PRO A 4 -11.108 1.129 -5.760 1.00 0.43 O ATOM 61 CB PRO A 4 -10.661 -1.922 -4.775 1.00 0.45 C ATOM 62 CG PRO A 4 -11.192 -2.222 -6.132 1.00 0.50 C ATOM 63 CD PRO A 4 -12.660 -1.895 -6.089 1.00 0.50 C ATOM 0 HA PRO A 4 -11.590 -0.683 -3.210 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.600 -1.676 -4.809 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.768 -2.778 -4.108 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.683 -1.627 -6.890 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -11.034 -3.269 -6.389 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -13.000 -1.455 -7.027 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.264 -2.786 -5.918 1.00 0.50 H new ATOM 71 N PRO A 5 -9.997 1.154 -3.800 1.00 0.37 N ATOM 72 CA PRO A 5 -9.320 2.436 -4.050 1.00 0.39 C ATOM 73 C PRO A 5 -8.500 2.439 -5.337 1.00 0.38 C ATOM 74 O PRO A 5 -8.449 1.444 -6.058 1.00 0.47 O ATOM 75 CB PRO A 5 -8.407 2.605 -2.832 1.00 0.46 C ATOM 76 CG PRO A 5 -9.012 1.751 -1.774 1.00 0.71 C ATOM 77 CD PRO A 5 -9.639 0.588 -2.489 1.00 0.43 C ATOM 0 HA PRO A 5 -10.038 3.246 -4.180 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.388 2.292 -3.057 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.358 3.647 -2.517 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.256 1.412 -1.066 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.757 2.306 -1.203 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.945 -0.247 -2.587 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.515 0.214 -1.959 1.00 0.43 H new ATOM 85 N GLY A 6 -7.863 3.575 -5.616 1.00 0.37 N ATOM 86 CA GLY A 6 -7.052 3.707 -6.814 1.00 0.39 C ATOM 87 C GLY A 6 -5.748 2.938 -6.727 1.00 0.42 C ATOM 88 O GLY A 6 -5.630 1.986 -5.955 1.00 0.66 O ATOM 0 H GLY A 6 -7.895 4.409 -5.030 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.621 3.353 -7.674 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.836 4.761 -6.987 1.00 0.39 H new ATOM 92 N LYS A 7 -4.764 3.354 -7.522 1.00 0.41 N ATOM 93 CA LYS A 7 -3.459 2.699 -7.535 1.00 0.44 C ATOM 94 C LYS A 7 -2.510 3.365 -6.538 1.00 0.37 C ATOM 95 O LYS A 7 -2.422 4.593 -6.493 1.00 0.42 O ATOM 96 CB LYS A 7 -2.852 2.753 -8.937 1.00 0.54 C ATOM 97 CG LYS A 7 -1.436 2.204 -9.006 1.00 0.64 C ATOM 98 CD LYS A 7 -0.766 2.546 -10.326 1.00 1.01 C ATOM 99 CE LYS A 7 0.655 2.010 -10.384 1.00 0.95 C ATOM 100 NZ LYS A 7 1.565 2.924 -11.126 1.00 1.52 N ATOM 0 H LYS A 7 -4.846 4.141 -8.165 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.599 1.658 -7.245 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.486 2.188 -9.621 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.850 3.786 -9.284 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.848 2.610 -8.183 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.458 1.122 -8.879 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.347 2.130 -11.149 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.754 3.628 -10.460 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.031 1.868 -9.371 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.654 1.031 -10.864 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.524 2.521 -11.142 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.222 3.040 -12.101 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.587 3.851 -10.654 1.00 1.52 H new ATOM 114 N PRO A 8 -1.780 2.578 -5.723 1.00 0.34 N ATOM 115 CA PRO A 8 -0.840 3.118 -4.735 1.00 0.32 C ATOM 116 C PRO A 8 0.468 3.579 -5.376 1.00 0.33 C ATOM 117 O PRO A 8 1.060 2.860 -6.184 1.00 0.44 O ATOM 118 CB PRO A 8 -0.593 1.928 -3.787 1.00 0.39 C ATOM 119 CG PRO A 8 -1.562 0.872 -4.217 1.00 0.44 C ATOM 120 CD PRO A 8 -1.790 1.110 -5.675 1.00 0.41 C ATOM 0 HA PRO A 8 -1.235 4.000 -4.232 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.435 1.573 -3.862 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.757 2.213 -2.748 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.160 -0.125 -4.040 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.494 0.943 -3.657 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.006 0.672 -6.292 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.737 0.692 -6.018 1.00 0.41 H new ATOM 128 N VAL A 9 0.912 4.782 -5.018 1.00 0.34 N ATOM 129 CA VAL A 9 2.145 5.340 -5.568 1.00 0.38 C ATOM 130 C VAL A 9 2.954 6.079 -4.498 1.00 0.34 C ATOM 131 O VAL A 9 2.446 7.005 -3.866 1.00 0.35 O ATOM 132 CB VAL A 9 1.840 6.315 -6.723 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.127 7.558 -6.206 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.116 6.690 -7.462 1.00 0.53 C ATOM 0 H VAL A 9 0.437 5.389 -4.350 1.00 0.34 H new ATOM 0 HA VAL A 9 2.733 4.501 -5.941 1.00 0.38 H new ATOM 0 HB VAL A 9 1.176 5.813 -7.427 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.922 8.232 -7.038 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.189 7.269 -5.733 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.760 8.064 -5.477 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.878 7.378 -8.273 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.809 7.169 -6.771 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.576 5.791 -7.873 1.00 0.53 H new ATOM 144 N PRO A 10 4.226 5.689 -4.276 1.00 0.34 N ATOM 145 CA PRO A 10 5.079 6.335 -3.276 1.00 0.32 C ATOM 146 C PRO A 10 5.454 7.765 -3.653 1.00 0.37 C ATOM 147 O PRO A 10 5.928 8.021 -4.761 1.00 0.64 O ATOM 148 CB PRO A 10 6.341 5.473 -3.231 1.00 0.38 C ATOM 149 CG PRO A 10 6.026 4.239 -4.005 1.00 0.39 C ATOM 150 CD PRO A 10 4.928 4.601 -4.968 1.00 0.42 C ATOM 0 HA PRO A 10 4.560 6.407 -2.320 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.189 6.001 -3.667 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.611 5.230 -2.203 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.907 3.882 -4.539 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.708 3.436 -3.340 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.326 4.925 -5.930 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.268 3.756 -5.164 1.00 0.42 H new ATOM 158 N LEU A 11 5.258 8.687 -2.720 1.00 0.34 N ATOM 159 CA LEU A 11 5.595 10.087 -2.937 1.00 0.43 C ATOM 160 C LEU A 11 6.961 10.376 -2.336 1.00 0.43 C ATOM 161 O LEU A 11 7.745 11.155 -2.878 1.00 0.57 O ATOM 162 CB LEU A 11 4.544 10.998 -2.303 1.00 0.56 C ATOM 163 CG LEU A 11 3.092 10.668 -2.659 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.958 10.340 -4.140 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.586 9.516 -1.805 1.00 1.12 C ATOM 0 H LEU A 11 4.865 8.488 -1.800 1.00 0.34 H new ATOM 0 HA LEU A 11 5.618 10.283 -4.009 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.654 10.953 -1.220 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.750 12.026 -2.602 1.00 0.56 H new ATOM 0 HG LEU A 11 2.480 11.546 -2.452 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.918 10.109 -4.369 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.278 11.197 -4.733 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.582 9.479 -4.380 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.552 9.293 -2.070 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.203 8.635 -1.980 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.639 9.793 -0.752 1.00 1.12 H new ATOM 177 N ASN A 12 7.237 9.724 -1.213 1.00 0.34 N ATOM 178 CA ASN A 12 8.506 9.877 -0.521 1.00 0.36 C ATOM 179 C ASN A 12 8.961 8.530 0.013 1.00 0.37 C ATOM 180 O ASN A 12 8.479 8.063 1.043 1.00 0.58 O ATOM 181 CB ASN A 12 8.387 10.880 0.622 1.00 0.42 C ATOM 182 CG ASN A 12 9.685 11.626 0.877 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.795 10.894 0.921 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 9.690 12.847 1.029 1.00 0.71 N flip ATOM 0 H ASN A 12 6.590 9.078 -0.760 1.00 0.34 H new ATOM 0 HA ASN A 12 9.244 10.256 -1.228 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.599 11.597 0.392 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.087 10.357 1.530 1.00 0.42 H new ATOM 0 HD21 ASN A 12 8.815 13.370 0.988 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.569 13.336 1.196 1.00 0.71 H new ATOM 191 N ILE A 13 9.886 7.911 -0.696 1.00 0.38 N ATOM 192 CA ILE A 13 10.397 6.609 -0.300 1.00 0.43 C ATOM 193 C ILE A 13 11.721 6.716 0.442 1.00 0.53 C ATOM 194 O ILE A 13 12.582 7.524 0.097 1.00 0.75 O ATOM 195 CB ILE A 13 10.551 5.684 -1.518 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.598 6.246 -2.505 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.191 5.495 -2.176 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.034 7.110 -3.622 1.00 0.96 C ATOM 0 H ILE A 13 10.300 8.287 -1.549 1.00 0.38 H new ATOM 0 HA ILE A 13 9.665 6.178 0.383 1.00 0.43 H new ATOM 0 HB ILE A 13 10.917 4.709 -1.195 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.325 6.834 -1.944 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.139 5.411 -2.951 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.293 4.840 -3.041 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.500 5.048 -1.461 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.805 6.462 -2.497 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.847 7.456 -4.260 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.331 6.525 -4.215 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.519 7.969 -3.193 1.00 0.96 H new ATOM 210 N THR A 14 11.868 5.891 1.473 1.00 0.59 N ATOM 211 CA THR A 14 13.079 5.881 2.281 1.00 0.71 C ATOM 212 C THR A 14 13.538 4.451 2.562 1.00 0.79 C ATOM 213 O THR A 14 12.726 3.542 2.735 1.00 1.46 O ATOM 214 CB THR A 14 12.852 6.640 3.590 1.00 0.75 C ATOM 215 OG1 THR A 14 11.691 7.450 3.506 1.00 0.69 O ATOM 216 CG2 THR A 14 14.007 7.544 3.960 1.00 0.94 C ATOM 0 H THR A 14 11.160 5.219 1.769 1.00 0.59 H new ATOM 0 HA THR A 14 13.867 6.383 1.719 1.00 0.71 H new ATOM 0 HB THR A 14 12.745 5.871 4.356 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.893 6.889 3.602 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.784 8.054 4.897 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.912 6.948 4.077 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.158 8.282 3.173 1.00 0.94 H new ATOM 224 N ARG A 15 14.854 4.276 2.593 1.00 0.66 N ATOM 225 CA ARG A 15 15.489 2.980 2.835 1.00 0.67 C ATOM 226 C ARG A 15 14.696 2.077 3.784 1.00 0.71 C ATOM 227 O ARG A 15 14.502 0.895 3.506 1.00 1.19 O ATOM 228 CB ARG A 15 16.884 3.207 3.412 1.00 0.80 C ATOM 229 CG ARG A 15 17.815 3.948 2.476 1.00 0.96 C ATOM 230 CD ARG A 15 18.346 5.223 3.115 1.00 1.13 C ATOM 231 NE ARG A 15 19.722 5.071 3.576 1.00 1.43 N ATOM 232 CZ ARG A 15 20.469 6.079 4.016 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.974 7.309 4.055 1.00 1.90 N ATOM 234 NH2 ARG A 15 21.713 5.858 4.419 1.00 2.42 N ATOM 0 H ARG A 15 15.519 5.036 2.450 1.00 0.66 H new ATOM 0 HA ARG A 15 15.533 2.467 1.874 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.796 3.768 4.342 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.326 2.242 3.662 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.649 3.302 2.203 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.287 4.194 1.555 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.293 6.039 2.394 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.710 5.499 3.956 1.00 1.13 H new ATOM 0 HE ARG A 15 20.134 4.138 3.560 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.017 7.484 3.747 1.00 1.90 H new ATOM 0 HH12 ARG A 15 20.550 8.080 4.393 1.00 1.90 H new ATOM 0 HH21 ARG A 15 22.098 4.914 4.392 1.00 2.42 H new ATOM 0 HH22 ARG A 15 22.285 6.632 4.756 1.00 2.42 H new ATOM 248 N HIS A 16 14.262 2.621 4.914 1.00 0.50 N ATOM 249 CA HIS A 16 13.524 1.823 5.892 1.00 0.54 C ATOM 250 C HIS A 16 12.031 2.146 5.934 1.00 0.57 C ATOM 251 O HIS A 16 11.250 1.390 6.508 1.00 0.97 O ATOM 252 CB HIS A 16 14.128 2.013 7.281 1.00 0.67 C ATOM 253 CG HIS A 16 15.386 1.228 7.496 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.560 0.320 8.515 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.548 1.228 6.793 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.793 -0.192 8.405 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.434 0.326 7.375 1.00 0.86 N ATOM 0 H HIS A 16 14.404 3.596 5.176 1.00 0.50 H new ATOM 0 HA HIS A 16 13.614 0.784 5.575 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.338 3.071 7.436 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.394 1.721 8.031 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.752 1.832 5.921 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.208 -0.932 9.073 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.383 0.110 7.068 1.00 0.86 H new ATOM 265 N THR A 17 11.631 3.262 5.339 1.00 0.43 N ATOM 266 CA THR A 17 10.222 3.643 5.342 1.00 0.42 C ATOM 267 C THR A 17 9.847 4.393 4.074 1.00 0.38 C ATOM 268 O THR A 17 10.509 5.356 3.700 1.00 0.56 O ATOM 269 CB THR A 17 9.910 4.508 6.561 1.00 0.56 C ATOM 270 OG1 THR A 17 10.894 5.514 6.727 1.00 0.65 O ATOM 271 CG2 THR A 17 9.834 3.718 7.849 1.00 0.68 C ATOM 0 H THR A 17 12.250 3.912 4.855 1.00 0.43 H new ATOM 0 HA THR A 17 9.632 2.727 5.385 1.00 0.42 H new ATOM 0 HB THR A 17 8.931 4.945 6.365 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.150 5.869 5.850 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.609 4.391 8.676 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.048 2.967 7.769 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.789 3.226 8.031 1.00 0.68 H new ATOM 279 N VAL A 18 8.774 3.959 3.421 1.00 0.27 N ATOM 280 CA VAL A 18 8.328 4.621 2.206 1.00 0.33 C ATOM 281 C VAL A 18 6.938 5.217 2.399 1.00 0.32 C ATOM 282 O VAL A 18 6.157 4.736 3.213 1.00 0.51 O ATOM 283 CB VAL A 18 8.361 3.687 0.968 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.691 2.951 0.874 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.178 2.733 0.896 1.00 0.80 C ATOM 0 H VAL A 18 8.206 3.163 3.709 1.00 0.27 H new ATOM 0 HA VAL A 18 9.034 5.427 2.007 1.00 0.33 H new ATOM 0 HB VAL A 18 8.267 4.332 0.094 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.687 2.303 -0.003 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.502 3.674 0.787 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.837 2.348 1.770 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.266 2.110 0.006 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.167 2.099 1.783 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.252 3.305 0.848 1.00 0.80 H new ATOM 295 N THR A 19 6.644 6.273 1.656 1.00 0.27 N ATOM 296 CA THR A 19 5.354 6.943 1.758 1.00 0.24 C ATOM 297 C THR A 19 4.609 6.907 0.430 1.00 0.22 C ATOM 298 O THR A 19 5.087 7.453 -0.559 1.00 0.34 O ATOM 299 CB THR A 19 5.569 8.398 2.205 1.00 0.28 C ATOM 300 OG1 THR A 19 5.831 8.459 3.595 1.00 0.35 O ATOM 301 CG2 THR A 19 4.395 9.313 1.925 1.00 0.32 C ATOM 0 H THR A 19 7.281 6.686 0.975 1.00 0.27 H new ATOM 0 HA THR A 19 4.747 6.418 2.496 1.00 0.24 H new ATOM 0 HB THR A 19 6.418 8.746 1.616 1.00 0.28 H new ATOM 0 HG1 THR A 19 4.988 8.390 4.090 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.628 10.320 2.271 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.197 9.334 0.853 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.513 8.945 2.449 1.00 0.32 H new ATOM 309 N LEU A 20 3.431 6.279 0.418 1.00 0.28 N ATOM 310 CA LEU A 20 2.626 6.200 -0.794 1.00 0.26 C ATOM 311 C LEU A 20 1.179 6.571 -0.520 1.00 0.28 C ATOM 312 O LEU A 20 0.687 6.452 0.603 1.00 0.40 O ATOM 313 CB LEU A 20 2.677 4.807 -1.440 1.00 0.33 C ATOM 314 CG LEU A 20 3.010 3.635 -0.514 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.426 3.764 0.008 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.013 3.535 0.632 1.00 0.52 C ATOM 0 H LEU A 20 3.019 5.821 1.231 1.00 0.28 H new ATOM 0 HA LEU A 20 3.059 6.917 -1.492 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.710 4.611 -1.904 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.416 4.829 -2.241 1.00 0.33 H new ATOM 0 HG LEU A 20 2.937 2.714 -1.092 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.649 2.924 0.665 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.124 3.765 -0.829 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.525 4.696 0.564 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.277 2.693 1.272 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.036 4.455 1.216 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.011 3.385 0.230 1.00 0.52 H new ATOM 328 N LYS A 21 0.506 7.014 -1.570 1.00 0.25 N ATOM 329 CA LYS A 21 -0.893 7.400 -1.482 1.00 0.31 C ATOM 330 C LYS A 21 -1.613 7.049 -2.785 1.00 0.31 C ATOM 331 O LYS A 21 -0.978 6.856 -3.822 1.00 0.51 O ATOM 332 CB LYS A 21 -1.021 8.899 -1.126 1.00 0.40 C ATOM 333 CG LYS A 21 -1.365 9.822 -2.288 1.00 0.81 C ATOM 334 CD LYS A 21 -2.839 9.722 -2.642 1.00 0.95 C ATOM 335 CE LYS A 21 -3.530 11.073 -2.548 1.00 1.26 C ATOM 336 NZ LYS A 21 -2.985 12.046 -3.535 1.00 1.84 N ATOM 0 H LYS A 21 0.911 7.116 -2.501 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.374 6.841 -0.679 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.788 9.008 -0.359 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.081 9.232 -0.687 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.119 10.851 -2.025 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.760 9.561 -3.156 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.945 9.328 -3.653 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.328 9.015 -1.971 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.599 10.946 -2.716 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.411 11.472 -1.541 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.642 12.847 -3.632 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.062 12.394 -3.206 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.871 11.578 -4.457 1.00 1.84 H new ATOM 350 N TRP A 22 -2.933 6.948 -2.720 1.00 0.25 N ATOM 351 CA TRP A 22 -3.724 6.597 -3.890 1.00 0.24 C ATOM 352 C TRP A 22 -4.991 7.441 -3.990 1.00 0.24 C ATOM 353 O TRP A 22 -5.178 8.396 -3.237 1.00 0.40 O ATOM 354 CB TRP A 22 -4.089 5.124 -3.805 1.00 0.27 C ATOM 355 CG TRP A 22 -4.657 4.749 -2.474 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.966 4.519 -2.185 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.935 4.569 -1.251 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.106 4.199 -0.855 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.872 4.223 -0.260 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.587 4.663 -0.901 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.504 3.972 1.060 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.220 4.414 0.409 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.176 4.070 1.375 1.00 0.32 C ATOM 0 H TRP A 22 -3.477 7.104 -1.872 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.131 6.794 -4.783 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.813 4.887 -4.585 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.202 4.522 -4.000 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.777 4.579 -2.896 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.986 3.979 -0.387 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.844 4.925 -1.640 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.239 3.710 1.807 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.180 4.486 0.692 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.858 3.878 2.389 1.00 0.32 H new ATOM 374 N ALA A 23 -5.861 7.077 -4.933 1.00 0.31 N ATOM 375 CA ALA A 23 -7.112 7.791 -5.142 1.00 0.33 C ATOM 376 C ALA A 23 -8.226 7.245 -4.252 1.00 0.36 C ATOM 377 O ALA A 23 -7.985 6.420 -3.372 1.00 0.83 O ATOM 378 CB ALA A 23 -7.515 7.715 -6.607 1.00 0.36 C ATOM 0 H ALA A 23 -5.717 6.289 -5.564 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.955 8.834 -4.867 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.452 8.252 -6.755 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.737 8.167 -7.222 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.645 6.672 -6.895 1.00 0.36 H new ATOM 384 N LYS A 24 -9.446 7.720 -4.489 1.00 0.59 N ATOM 385 CA LYS A 24 -10.604 7.290 -3.711 1.00 0.61 C ATOM 386 C LYS A 24 -11.702 6.737 -4.622 1.00 0.59 C ATOM 387 O LYS A 24 -11.959 7.280 -5.696 1.00 0.69 O ATOM 388 CB LYS A 24 -11.144 8.467 -2.894 1.00 0.74 C ATOM 389 CG LYS A 24 -11.888 8.052 -1.636 1.00 1.21 C ATOM 390 CD LYS A 24 -13.326 7.668 -1.940 1.00 1.22 C ATOM 391 CE LYS A 24 -14.273 8.833 -1.704 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.623 8.983 -0.265 1.00 2.11 N ATOM 0 H LYS A 24 -9.658 8.404 -5.215 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.290 6.494 -3.036 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.313 9.115 -2.616 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.812 9.057 -3.522 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.376 7.210 -1.171 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.873 8.871 -0.917 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.405 7.337 -2.976 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.620 6.826 -1.313 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.812 9.753 -2.063 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.183 8.684 -2.285 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.270 9.788 -0.147 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.086 8.115 0.072 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.758 9.151 0.287 1.00 2.11 H new ATOM 406 N PRO A 25 -12.367 5.645 -4.203 1.00 0.56 N ATOM 407 CA PRO A 25 -13.441 5.025 -4.988 1.00 0.63 C ATOM 408 C PRO A 25 -14.582 5.996 -5.266 1.00 0.75 C ATOM 409 O PRO A 25 -14.544 7.150 -4.842 1.00 0.89 O ATOM 410 CB PRO A 25 -13.928 3.867 -4.107 1.00 0.63 C ATOM 411 CG PRO A 25 -13.403 4.161 -2.741 1.00 0.71 C ATOM 412 CD PRO A 25 -12.131 4.933 -2.940 1.00 0.58 C ATOM 0 HA PRO A 25 -13.088 4.703 -5.967 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -15.016 3.806 -4.105 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.555 2.911 -4.474 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.124 4.740 -2.163 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.217 3.240 -2.188 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.945 5.623 -2.117 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.265 4.274 -3.005 1.00 0.58 H new ATOM 420 N GLU A 26 -15.595 5.525 -5.986 1.00 0.85 N ATOM 421 CA GLU A 26 -16.739 6.364 -6.321 1.00 1.05 C ATOM 422 C GLU A 26 -18.071 5.662 -6.043 1.00 0.95 C ATOM 423 O GLU A 26 -19.135 6.235 -6.276 1.00 1.12 O ATOM 424 CB GLU A 26 -16.668 6.785 -7.788 1.00 1.29 C ATOM 425 CG GLU A 26 -15.577 7.804 -8.070 1.00 1.83 C ATOM 426 CD GLU A 26 -15.266 7.935 -9.548 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.215 8.115 -10.340 1.00 2.77 O ATOM 428 OE2 GLU A 26 -14.074 7.858 -9.912 1.00 2.53 O ATOM 0 H GLU A 26 -15.647 4.572 -6.347 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.694 7.246 -5.683 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.498 5.902 -8.404 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.630 7.202 -8.086 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.883 8.775 -7.680 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.671 7.517 -7.536 1.00 1.83 H new ATOM 435 N TYR A 27 -18.021 4.427 -5.545 1.00 0.85 N ATOM 436 CA TYR A 27 -19.240 3.686 -5.247 1.00 0.84 C ATOM 437 C TYR A 27 -19.173 3.051 -3.859 1.00 0.86 C ATOM 438 O TYR A 27 -19.846 3.503 -2.933 1.00 1.37 O ATOM 439 CB TYR A 27 -19.496 2.614 -6.311 1.00 0.86 C ATOM 440 CG TYR A 27 -20.959 2.274 -6.483 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.665 1.628 -5.479 1.00 0.93 C ATOM 442 CD2 TYR A 27 -21.633 2.598 -7.654 1.00 1.15 C ATOM 443 CE1 TYR A 27 -23.002 1.313 -5.635 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.968 2.290 -7.819 1.00 1.28 C ATOM 445 CZ TYR A 27 -23.651 1.649 -6.793 1.00 1.19 C ATOM 446 OH TYR A 27 -24.979 1.337 -6.967 1.00 1.35 O ATOM 0 H TYR A 27 -17.157 3.925 -5.342 1.00 0.85 H new ATOM 0 HA TYR A 27 -20.070 4.392 -5.258 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.096 2.957 -7.265 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.950 1.710 -6.043 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.162 1.367 -4.560 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -21.102 3.100 -8.450 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -23.534 0.803 -4.845 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -23.477 2.545 -8.737 1.00 1.28 H new ATOM 0 HH TYR A 27 -25.276 1.651 -7.846 1.00 1.35 H new ATOM 456 N THR A 28 -18.362 2.001 -3.716 1.00 0.65 N ATOM 457 CA THR A 28 -18.217 1.309 -2.432 1.00 0.61 C ATOM 458 C THR A 28 -19.570 1.117 -1.752 1.00 0.66 C ATOM 459 O THR A 28 -19.762 1.533 -0.610 1.00 0.81 O ATOM 460 CB THR A 28 -17.284 2.095 -1.509 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.975 3.173 -0.901 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.078 2.668 -2.220 1.00 0.79 C ATOM 0 H THR A 28 -17.797 1.611 -4.470 1.00 0.65 H new ATOM 0 HA THR A 28 -17.788 0.327 -2.629 1.00 0.61 H new ATOM 0 HB THR A 28 -16.939 1.375 -0.767 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.666 2.822 -0.302 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.460 3.213 -1.506 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.496 1.858 -2.660 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.408 3.347 -3.006 1.00 0.79 H new ATOM 470 N GLY A 29 -20.506 0.489 -2.466 1.00 0.75 N ATOM 471 CA GLY A 29 -21.839 0.254 -1.924 1.00 0.80 C ATOM 472 C GLY A 29 -22.367 1.440 -1.131 1.00 0.85 C ATOM 473 O GLY A 29 -22.499 2.542 -1.662 1.00 1.01 O ATOM 0 H GLY A 29 -20.364 0.138 -3.413 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.526 0.034 -2.741 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.816 -0.626 -1.282 1.00 0.80 H new ATOM 477 N GLY A 30 -22.648 1.214 0.148 1.00 0.83 N ATOM 478 CA GLY A 30 -23.135 2.277 1.007 1.00 0.89 C ATOM 479 C GLY A 30 -22.184 2.501 2.161 1.00 0.85 C ATOM 480 O GLY A 30 -22.589 2.885 3.258 1.00 0.98 O ATOM 0 H GLY A 30 -22.546 0.309 0.607 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.242 3.197 0.432 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.124 2.021 1.387 1.00 0.89 H new ATOM 484 N PHE A 31 -20.910 2.236 1.897 1.00 0.73 N ATOM 485 CA PHE A 31 -19.858 2.372 2.891 1.00 0.69 C ATOM 486 C PHE A 31 -19.006 3.614 2.639 1.00 0.67 C ATOM 487 O PHE A 31 -19.211 4.337 1.662 1.00 0.74 O ATOM 488 CB PHE A 31 -18.955 1.141 2.857 1.00 0.63 C ATOM 489 CG PHE A 31 -19.631 -0.114 2.372 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.577 -0.757 3.153 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.319 -0.647 1.130 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.198 -1.908 2.707 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.936 -1.797 0.679 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.877 -2.428 1.469 1.00 0.83 C ATOM 0 H PHE A 31 -20.579 1.920 0.985 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.335 2.469 3.866 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.100 1.350 2.214 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.564 0.964 3.859 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.832 -0.354 4.122 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.585 -0.157 0.508 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.933 -2.400 3.326 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.683 -2.202 -0.290 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.361 -3.327 1.119 1.00 0.83 H new ATOM 504 N LYS A 32 -18.043 3.843 3.527 1.00 0.68 N ATOM 505 CA LYS A 32 -17.141 4.987 3.411 1.00 0.72 C ATOM 506 C LYS A 32 -15.675 4.582 3.601 1.00 0.66 C ATOM 507 O LYS A 32 -14.782 5.421 3.499 1.00 0.74 O ATOM 508 CB LYS A 32 -17.507 6.058 4.438 1.00 0.86 C ATOM 509 CG LYS A 32 -17.217 5.646 5.873 1.00 1.38 C ATOM 510 CD LYS A 32 -16.589 6.783 6.663 1.00 1.38 C ATOM 511 CE LYS A 32 -15.125 6.971 6.300 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.686 8.382 6.478 1.00 2.26 N ATOM 0 H LYS A 32 -17.866 3.250 4.338 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.256 5.386 2.403 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.956 6.971 4.212 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.567 6.294 4.343 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.142 5.333 6.357 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.548 4.785 5.877 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.134 7.707 6.470 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.677 6.578 7.730 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.510 6.319 6.920 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.966 6.669 5.265 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.682 8.468 6.220 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.255 9.002 5.867 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.814 8.663 7.471 1.00 2.26 H new ATOM 526 N ILE A 33 -15.425 3.301 3.881 1.00 0.67 N ATOM 527 CA ILE A 33 -14.064 2.820 4.086 1.00 0.66 C ATOM 528 C ILE A 33 -13.369 3.617 5.186 1.00 0.80 C ATOM 529 O ILE A 33 -12.991 4.771 4.990 1.00 1.71 O ATOM 530 CB ILE A 33 -13.242 2.903 2.791 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.052 2.348 1.617 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.933 2.144 2.946 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.304 2.362 0.303 1.00 0.91 C ATOM 0 H ILE A 33 -16.145 2.584 3.970 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.130 1.775 4.389 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.009 3.948 2.588 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.350 1.325 1.844 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.967 2.931 1.510 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.361 2.212 2.020 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.355 2.578 3.762 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.143 1.098 3.167 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.941 1.954 -0.482 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.029 3.386 0.052 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.403 1.755 0.391 1.00 0.91 H new ATOM 545 N THR A 34 -13.210 2.993 6.349 1.00 0.72 N ATOM 546 CA THR A 34 -12.571 3.645 7.487 1.00 0.73 C ATOM 547 C THR A 34 -11.162 3.105 7.728 1.00 0.59 C ATOM 548 O THR A 34 -10.601 3.285 8.809 1.00 0.76 O ATOM 549 CB THR A 34 -13.419 3.456 8.750 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.064 2.257 9.417 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.908 3.405 8.477 1.00 1.15 C ATOM 0 H THR A 34 -13.515 2.036 6.528 1.00 0.72 H new ATOM 0 HA THR A 34 -12.492 4.707 7.255 1.00 0.73 H new ATOM 0 HB THR A 34 -13.212 4.330 9.367 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.615 2.155 10.221 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.446 3.270 9.416 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.224 4.337 8.009 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.127 2.571 7.810 1.00 1.15 H new ATOM 559 N SER A 35 -10.590 2.444 6.723 1.00 0.49 N ATOM 560 CA SER A 35 -9.247 1.888 6.854 1.00 0.47 C ATOM 561 C SER A 35 -8.774 1.249 5.551 1.00 0.45 C ATOM 562 O SER A 35 -9.537 0.561 4.873 1.00 0.72 O ATOM 563 CB SER A 35 -9.215 0.847 7.975 1.00 0.64 C ATOM 564 OG SER A 35 -10.508 0.638 8.517 1.00 1.58 O ATOM 0 H SER A 35 -11.031 2.282 5.818 1.00 0.49 H new ATOM 0 HA SER A 35 -8.573 2.710 7.095 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.823 -0.094 7.590 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.537 1.177 8.762 1.00 0.64 H new ATOM 0 HG SER A 35 -10.459 -0.032 9.230 1.00 1.58 H new ATOM 570 N TYR A 36 -7.504 1.470 5.217 1.00 0.27 N ATOM 571 CA TYR A 36 -6.922 0.904 4.006 1.00 0.28 C ATOM 572 C TYR A 36 -5.741 0.008 4.355 1.00 0.33 C ATOM 573 O TYR A 36 -4.964 0.310 5.260 1.00 0.68 O ATOM 574 CB TYR A 36 -6.461 2.010 3.054 1.00 0.29 C ATOM 575 CG TYR A 36 -7.531 3.024 2.721 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.671 2.651 2.020 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.406 4.351 3.111 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.655 3.572 1.715 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.386 5.278 2.810 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.492 4.898 2.107 1.00 0.60 C ATOM 581 OH TYR A 36 -10.485 5.804 1.810 1.00 0.76 O ATOM 0 H TYR A 36 -6.860 2.037 5.769 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.690 0.311 3.510 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.612 2.527 3.500 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -6.107 1.554 2.129 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.790 1.624 1.708 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.529 4.664 3.658 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.541 3.267 1.178 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.276 6.303 3.131 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.088 6.604 1.406 1.00 0.76 H new ATOM 591 N ILE A 37 -5.611 -1.094 3.631 1.00 0.24 N ATOM 592 CA ILE A 37 -4.526 -2.037 3.857 1.00 0.26 C ATOM 593 C ILE A 37 -3.507 -1.970 2.725 1.00 0.33 C ATOM 594 O ILE A 37 -3.829 -1.555 1.612 1.00 0.70 O ATOM 595 CB ILE A 37 -5.052 -3.480 3.974 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.335 -3.518 4.811 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.987 -4.381 4.579 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.176 -2.913 6.190 1.00 1.14 C ATOM 0 H ILE A 37 -6.247 -1.358 2.878 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.048 -1.757 4.796 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.287 -3.848 2.975 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -7.123 -2.985 4.278 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.662 -4.553 4.913 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.372 -5.398 4.656 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.102 -4.375 3.943 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.723 -4.017 5.572 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.123 -2.974 6.726 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.411 -3.460 6.741 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.879 -1.868 6.097 1.00 1.14 H new ATOM 610 N VAL A 38 -2.275 -2.380 3.012 1.00 0.36 N ATOM 611 CA VAL A 38 -1.217 -2.361 2.006 1.00 0.42 C ATOM 612 C VAL A 38 -0.383 -3.633 2.063 1.00 0.35 C ATOM 613 O VAL A 38 0.431 -3.809 2.970 1.00 0.48 O ATOM 614 CB VAL A 38 -0.265 -1.150 2.162 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.175 -0.641 0.793 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.906 -0.033 2.976 1.00 0.46 C ATOM 0 H VAL A 38 -1.985 -2.727 3.926 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.726 -2.284 1.045 1.00 0.42 H new ATOM 0 HB VAL A 38 0.616 -1.486 2.709 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.844 0.210 0.919 1.00 0.51 H new ATOM 0 HG12 VAL A 38 0.696 -1.436 0.260 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.700 -0.333 0.221 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.208 0.800 3.064 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.814 0.306 2.477 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.155 -0.404 3.970 1.00 0.46 H new ATOM 626 N GLU A 39 -0.577 -4.512 1.088 1.00 0.30 N ATOM 627 CA GLU A 39 0.175 -5.755 1.036 1.00 0.33 C ATOM 628 C GLU A 39 1.576 -5.482 0.504 1.00 0.32 C ATOM 629 O GLU A 39 1.739 -4.971 -0.604 1.00 0.43 O ATOM 630 CB GLU A 39 -0.548 -6.781 0.164 1.00 0.42 C ATOM 631 CG GLU A 39 -2.059 -6.744 0.323 1.00 0.51 C ATOM 632 CD GLU A 39 -2.634 -8.078 0.759 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.953 -9.108 0.572 1.00 1.67 O ATOM 634 OE2 GLU A 39 -3.766 -8.091 1.289 1.00 1.52 O ATOM 0 H GLU A 39 -1.245 -4.387 0.328 1.00 0.30 H new ATOM 0 HA GLU A 39 0.255 -6.168 2.042 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.295 -6.603 -0.881 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -0.187 -7.779 0.414 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.325 -5.982 1.055 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.513 -6.449 -0.623 1.00 0.51 H new ATOM 641 N LYS A 40 2.583 -5.808 1.304 1.00 0.28 N ATOM 642 CA LYS A 40 3.970 -5.575 0.912 1.00 0.31 C ATOM 643 C LYS A 40 4.680 -6.865 0.543 1.00 0.29 C ATOM 644 O LYS A 40 4.395 -7.932 1.088 1.00 0.35 O ATOM 645 CB LYS A 40 4.743 -4.881 2.037 1.00 0.43 C ATOM 646 CG LYS A 40 4.616 -5.574 3.383 1.00 0.92 C ATOM 647 CD LYS A 40 5.854 -5.353 4.238 1.00 1.14 C ATOM 648 CE LYS A 40 6.319 -6.644 4.891 1.00 1.65 C ATOM 649 NZ LYS A 40 5.232 -7.290 5.676 1.00 1.97 N ATOM 0 H LYS A 40 2.468 -6.233 2.224 1.00 0.28 H new ATOM 0 HA LYS A 40 3.944 -4.932 0.033 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.797 -4.829 1.763 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.387 -3.855 2.131 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.738 -5.197 3.907 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.462 -6.642 3.231 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.656 -4.947 3.621 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.638 -4.612 5.008 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.672 -7.333 4.123 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.165 -6.436 5.545 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 5.601 -7.584 6.603 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 4.453 -6.614 5.812 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 4.881 -8.124 5.162 1.00 1.97 H new ATOM 663 N ARG A 41 5.622 -6.745 -0.380 1.00 0.36 N ATOM 664 CA ARG A 41 6.407 -7.879 -0.829 1.00 0.40 C ATOM 665 C ARG A 41 7.886 -7.516 -0.807 1.00 0.41 C ATOM 666 O ARG A 41 8.345 -6.677 -1.592 1.00 0.43 O ATOM 667 CB ARG A 41 5.985 -8.311 -2.235 1.00 0.46 C ATOM 668 CG ARG A 41 6.500 -9.687 -2.622 1.00 0.58 C ATOM 669 CD ARG A 41 5.396 -10.551 -3.206 1.00 0.88 C ATOM 670 NE ARG A 41 5.093 -10.188 -4.586 1.00 0.95 N ATOM 671 CZ ARG A 41 4.514 -11.011 -5.454 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.174 -12.238 -5.086 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.269 -10.604 -6.692 1.00 1.44 N ATOM 0 H ARG A 41 5.861 -5.864 -0.835 1.00 0.36 H new ATOM 0 HA ARG A 41 6.232 -8.717 -0.154 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.897 -8.308 -2.297 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.348 -7.579 -2.957 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.306 -9.584 -3.349 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.923 -10.178 -1.745 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.694 -11.599 -3.163 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.497 -10.450 -2.598 1.00 0.88 H new ATOM 0 HE ARG A 41 5.339 -9.250 -4.902 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.357 -12.554 -4.133 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.730 -12.867 -5.755 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.525 -9.659 -6.978 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.825 -11.236 -7.358 1.00 1.44 H new ATOM 687 N ASP A 42 8.620 -8.146 0.109 1.00 0.50 N ATOM 688 CA ASP A 42 10.050 -7.899 0.258 1.00 0.57 C ATOM 689 C ASP A 42 10.825 -8.552 -0.876 1.00 0.62 C ATOM 690 O ASP A 42 11.395 -9.632 -0.714 1.00 0.91 O ATOM 691 CB ASP A 42 10.559 -8.430 1.606 1.00 0.71 C ATOM 692 CG ASP A 42 9.513 -8.371 2.705 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.401 -8.900 2.498 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.808 -7.796 3.773 1.00 1.59 O ATOM 0 H ASP A 42 8.244 -8.834 0.761 1.00 0.50 H new ATOM 0 HA ASP A 42 10.209 -6.821 0.224 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.889 -9.462 1.482 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.431 -7.851 1.911 1.00 0.71 H new ATOM 699 N LEU A 43 10.838 -7.892 -2.024 1.00 0.63 N ATOM 700 CA LEU A 43 11.539 -8.404 -3.193 1.00 0.68 C ATOM 701 C LEU A 43 13.044 -8.491 -2.931 1.00 0.81 C ATOM 702 O LEU A 43 13.611 -7.628 -2.260 1.00 0.90 O ATOM 703 CB LEU A 43 11.268 -7.509 -4.404 1.00 0.62 C ATOM 704 CG LEU A 43 9.812 -7.067 -4.569 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.650 -6.206 -5.810 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.894 -8.278 -4.633 1.00 0.70 C ATOM 0 H LEU A 43 10.370 -6.998 -2.172 1.00 0.63 H new ATOM 0 HA LEU A 43 11.168 -9.408 -3.401 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.895 -6.621 -4.328 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.575 -8.040 -5.305 1.00 0.62 H new ATOM 0 HG LEU A 43 9.534 -6.469 -3.702 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.608 -5.902 -5.909 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.279 -5.320 -5.723 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.947 -6.777 -6.690 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.862 -7.947 -4.750 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.174 -8.902 -5.482 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.987 -8.854 -3.713 1.00 0.70 H new ATOM 718 N PRO A 44 13.715 -9.538 -3.453 1.00 0.92 N ATOM 719 CA PRO A 44 13.095 -10.589 -4.254 1.00 0.99 C ATOM 720 C PRO A 44 12.673 -11.798 -3.419 1.00 1.15 C ATOM 721 O PRO A 44 12.367 -12.859 -3.962 1.00 1.43 O ATOM 722 CB PRO A 44 14.224 -10.965 -5.208 1.00 1.15 C ATOM 723 CG PRO A 44 15.485 -10.738 -4.427 1.00 1.25 C ATOM 724 CD PRO A 44 15.156 -9.778 -3.302 1.00 1.08 C ATOM 0 HA PRO A 44 12.176 -10.261 -4.739 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.140 -12.003 -5.529 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.201 -10.350 -6.108 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.865 -11.679 -4.029 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.264 -10.325 -5.068 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.389 -10.209 -2.328 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.726 -8.853 -3.387 1.00 1.08 H new ATOM 732 N ASN A 45 12.660 -11.634 -2.097 1.00 1.14 N ATOM 733 CA ASN A 45 12.279 -12.718 -1.197 1.00 1.33 C ATOM 734 C ASN A 45 11.240 -12.248 -0.184 1.00 1.43 C ATOM 735 O ASN A 45 11.583 -11.830 0.921 1.00 2.42 O ATOM 736 CB ASN A 45 13.509 -13.253 -0.465 1.00 1.66 C ATOM 737 CG ASN A 45 14.394 -12.141 0.063 1.00 1.93 C ATOM 738 OD1 ASN A 45 15.548 -11.956 -0.567 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 14.045 -11.456 1.025 1.00 1.89 N flip ATOM 0 H ASN A 45 12.908 -10.763 -1.628 1.00 1.14 H new ATOM 0 HA ASN A 45 11.841 -13.516 -1.797 1.00 1.33 H new ATOM 0 HB2 ASN A 45 13.189 -13.884 0.364 1.00 1.66 H new ATOM 0 HB3 ASN A 45 14.086 -13.883 -1.142 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.149 -11.633 1.479 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.652 -10.711 1.368 1.00 1.89 H new ATOM 746 N GLY A 46 9.970 -12.319 -0.566 1.00 0.90 N ATOM 747 CA GLY A 46 8.907 -11.897 0.325 1.00 1.12 C ATOM 748 C GLY A 46 7.530 -12.263 -0.192 1.00 0.76 C ATOM 749 O GLY A 46 7.388 -12.740 -1.318 1.00 0.96 O ATOM 0 H GLY A 46 9.658 -12.661 -1.475 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.056 -12.353 1.304 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.963 -10.817 0.465 1.00 1.12 H new ATOM 753 N ARG A 47 6.514 -12.036 0.633 1.00 0.80 N ATOM 754 CA ARG A 47 5.140 -12.339 0.259 1.00 0.76 C ATOM 755 C ARG A 47 4.215 -11.191 0.642 1.00 0.85 C ATOM 756 O ARG A 47 4.395 -10.555 1.681 1.00 1.71 O ATOM 757 CB ARG A 47 4.677 -13.633 0.936 1.00 0.99 C ATOM 758 CG ARG A 47 4.395 -13.474 2.421 1.00 1.31 C ATOM 759 CD ARG A 47 5.633 -13.034 3.180 1.00 1.11 C ATOM 760 NE ARG A 47 5.634 -13.520 4.556 1.00 1.41 N ATOM 761 CZ ARG A 47 6.014 -14.746 4.905 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.422 -15.604 3.979 1.00 2.41 N ATOM 763 NH2 ARG A 47 5.987 -15.116 6.179 1.00 2.03 N ATOM 0 H ARG A 47 6.618 -11.642 1.568 1.00 0.80 H new ATOM 0 HA ARG A 47 5.101 -12.472 -0.822 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.775 -13.991 0.439 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.441 -14.398 0.799 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.600 -12.742 2.565 1.00 1.31 H new ATOM 0 HG3 ARG A 47 4.035 -14.419 2.827 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.522 -13.400 2.666 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.690 -11.945 3.180 1.00 1.11 H new ATOM 0 HE ARG A 47 5.326 -12.884 5.291 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.444 -15.324 2.999 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.713 -16.544 4.248 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.674 -14.460 6.894 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.279 -16.057 6.443 1.00 2.03 H new ATOM 777 N TRP A 48 3.225 -10.933 -0.200 1.00 0.50 N ATOM 778 CA TRP A 48 2.272 -9.868 0.044 1.00 0.43 C ATOM 779 C TRP A 48 1.699 -9.952 1.455 1.00 0.45 C ATOM 780 O TRP A 48 0.836 -10.785 1.735 1.00 0.65 O ATOM 781 CB TRP A 48 1.136 -9.931 -0.972 1.00 0.47 C ATOM 782 CG TRP A 48 1.590 -9.752 -2.384 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.546 -10.680 -3.380 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.156 -8.571 -2.958 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.048 -10.149 -4.541 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.430 -8.854 -4.308 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.454 -7.301 -2.462 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.991 -7.913 -5.166 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.011 -6.368 -3.313 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.272 -6.678 -4.653 1.00 0.38 C ATOM 0 H TRP A 48 3.063 -11.452 -1.063 1.00 0.50 H new ATOM 0 HA TRP A 48 2.800 -8.920 -0.060 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.630 -10.892 -0.880 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.403 -9.160 -0.734 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.171 -11.687 -3.272 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.124 -10.639 -5.433 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.252 -7.053 -1.430 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.197 -8.150 -6.199 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.249 -5.383 -2.939 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.705 -5.925 -5.295 1.00 0.38 H new ATOM 801 N LEU A 49 2.176 -9.086 2.340 1.00 0.38 N ATOM 802 CA LEU A 49 1.702 -9.066 3.720 1.00 0.42 C ATOM 803 C LEU A 49 1.406 -7.638 4.165 1.00 0.36 C ATOM 804 O LEU A 49 2.128 -6.708 3.809 1.00 0.39 O ATOM 805 CB LEU A 49 2.735 -9.712 4.647 1.00 0.52 C ATOM 806 CG LEU A 49 2.296 -11.034 5.283 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.351 -10.777 6.445 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.638 -11.933 4.246 1.00 0.84 C ATOM 0 H LEU A 49 2.890 -8.389 2.128 1.00 0.38 H new ATOM 0 HA LEU A 49 0.778 -9.641 3.775 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.651 -9.885 4.082 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.979 -9.007 5.442 1.00 0.52 H new ATOM 0 HG LEU A 49 3.181 -11.543 5.666 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.049 -11.727 6.885 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.856 -10.172 7.198 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.469 -10.247 6.086 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.333 -12.868 4.716 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.763 -11.432 3.833 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.347 -12.144 3.445 1.00 0.84 H new ATOM 820 N LYS A 50 0.335 -7.467 4.942 1.00 0.40 N ATOM 821 CA LYS A 50 -0.057 -6.145 5.428 1.00 0.40 C ATOM 822 C LYS A 50 1.146 -5.364 5.944 1.00 0.47 C ATOM 823 O LYS A 50 1.654 -5.633 7.032 1.00 0.85 O ATOM 824 CB LYS A 50 -1.104 -6.260 6.537 1.00 0.59 C ATOM 825 CG LYS A 50 -2.385 -6.953 6.105 1.00 0.72 C ATOM 826 CD LYS A 50 -3.420 -6.961 7.221 1.00 1.03 C ATOM 827 CE LYS A 50 -3.659 -5.566 7.777 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.827 -5.529 8.700 1.00 1.30 N ATOM 0 H LYS A 50 -0.274 -8.226 5.247 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.487 -5.606 4.584 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.672 -6.806 7.376 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.347 -5.261 6.899 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.796 -6.448 5.231 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.163 -7.977 5.807 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.358 -7.368 6.844 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.086 -7.620 8.022 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.768 -5.228 8.306 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.824 -4.871 6.954 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.956 -4.561 9.057 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.683 -5.827 8.189 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.659 -6.173 9.499 1.00 1.30 H new ATOM 842 N ALA A 51 1.594 -4.395 5.156 1.00 0.45 N ATOM 843 CA ALA A 51 2.734 -3.574 5.533 1.00 0.63 C ATOM 844 C ALA A 51 2.372 -2.650 6.691 1.00 0.55 C ATOM 845 O ALA A 51 3.074 -2.598 7.700 1.00 0.72 O ATOM 846 CB ALA A 51 3.217 -2.773 4.337 1.00 0.86 C ATOM 0 H ALA A 51 1.184 -4.159 4.252 1.00 0.45 H new ATOM 0 HA ALA A 51 3.541 -4.228 5.863 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.071 -2.162 4.629 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.514 -3.454 3.539 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.413 -2.128 3.982 1.00 0.86 H new ATOM 852 N ASN A 52 1.269 -1.927 6.537 1.00 0.42 N ATOM 853 CA ASN A 52 0.806 -1.010 7.569 1.00 0.43 C ATOM 854 C ASN A 52 0.691 -1.747 8.907 1.00 0.59 C ATOM 855 O ASN A 52 1.412 -1.443 9.857 1.00 1.60 O ATOM 856 CB ASN A 52 -0.534 -0.380 7.132 1.00 0.38 C ATOM 857 CG ASN A 52 -1.453 0.008 8.281 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.052 0.721 9.200 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.692 -0.466 8.229 1.00 0.62 N ATOM 0 H ASN A 52 0.679 -1.959 5.706 1.00 0.42 H new ATOM 0 HA ASN A 52 1.525 -0.202 7.705 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.326 0.507 6.534 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.058 -1.084 6.486 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.355 -0.242 8.971 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.981 -1.054 7.447 1.00 0.62 H new ATOM 866 N PHE A 53 -0.211 -2.719 8.970 1.00 0.81 N ATOM 867 CA PHE A 53 -0.404 -3.500 10.186 1.00 0.82 C ATOM 868 C PHE A 53 -0.869 -2.623 11.346 1.00 0.84 C ATOM 869 O PHE A 53 -0.454 -2.824 12.489 1.00 1.20 O ATOM 870 CB PHE A 53 0.896 -4.213 10.560 1.00 0.96 C ATOM 871 CG PHE A 53 0.692 -5.393 11.464 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.352 -6.275 11.246 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.545 -5.620 12.532 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.545 -7.361 12.074 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.358 -6.706 13.366 1.00 2.08 C ATOM 876 CZ PHE A 53 0.310 -7.577 13.137 1.00 1.96 C ATOM 0 H PHE A 53 -0.819 -2.985 8.195 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.182 -4.238 9.991 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.394 -4.545 9.649 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.564 -3.503 11.048 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.024 -6.111 10.417 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.365 -4.941 12.715 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.364 -8.042 11.891 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.030 -6.874 14.195 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.160 -8.425 13.788 1.00 1.96 H new ATOM 886 N SER A 54 -1.730 -1.653 11.054 1.00 0.79 N ATOM 887 CA SER A 54 -2.243 -0.758 12.087 1.00 0.89 C ATOM 888 C SER A 54 -3.534 -0.067 11.640 1.00 0.95 C ATOM 889 O SER A 54 -4.629 -0.579 11.872 1.00 1.89 O ATOM 890 CB SER A 54 -1.185 0.282 12.461 1.00 1.00 C ATOM 891 OG SER A 54 -0.327 -0.208 13.477 1.00 1.71 O ATOM 0 H SER A 54 -2.086 -1.467 10.116 1.00 0.79 H new ATOM 0 HA SER A 54 -2.475 -1.360 12.965 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.599 0.543 11.580 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.672 1.196 12.801 1.00 1.00 H new ATOM 0 HG SER A 54 -0.196 -1.172 13.358 1.00 1.71 H new ATOM 897 N ASN A 55 -3.405 1.097 11.004 1.00 0.75 N ATOM 898 CA ASN A 55 -4.568 1.845 10.536 1.00 0.69 C ATOM 899 C ASN A 55 -4.173 2.819 9.429 1.00 0.66 C ATOM 900 O ASN A 55 -3.109 3.439 9.481 1.00 1.05 O ATOM 901 CB ASN A 55 -5.218 2.596 11.708 1.00 0.84 C ATOM 902 CG ASN A 55 -6.262 3.611 11.270 1.00 1.11 C ATOM 903 OD1 ASN A 55 -6.283 4.740 11.757 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.135 3.216 10.348 1.00 0.83 N ATOM 0 H ASN A 55 -2.509 1.540 10.802 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.292 1.141 10.126 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.683 1.874 12.379 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -4.442 3.107 12.278 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.856 3.859 10.020 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.084 2.270 9.969 1.00 0.83 H new ATOM 911 N ILE A 56 -5.039 2.948 8.430 1.00 0.40 N ATOM 912 CA ILE A 56 -4.790 3.844 7.308 1.00 0.33 C ATOM 913 C ILE A 56 -6.064 4.576 6.910 1.00 0.31 C ATOM 914 O ILE A 56 -6.595 4.371 5.819 1.00 0.53 O ATOM 915 CB ILE A 56 -4.248 3.074 6.088 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.065 2.197 6.497 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.843 4.040 4.986 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.511 1.363 5.363 1.00 0.69 C ATOM 0 H ILE A 56 -5.923 2.441 8.375 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.041 4.567 7.631 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.039 2.430 5.704 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.272 2.832 6.892 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.376 1.536 7.306 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.463 3.479 4.132 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.710 4.625 4.679 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.066 4.709 5.356 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.674 0.766 5.726 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.290 0.702 4.983 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.169 2.019 4.562 1.00 0.69 H new ATOM 930 N LEU A 57 -6.555 5.427 7.804 1.00 0.44 N ATOM 931 CA LEU A 57 -7.774 6.187 7.550 1.00 0.45 C ATOM 932 C LEU A 57 -7.731 6.858 6.178 1.00 0.42 C ATOM 933 O LEU A 57 -8.544 6.554 5.304 1.00 0.60 O ATOM 934 CB LEU A 57 -7.988 7.239 8.643 1.00 0.48 C ATOM 935 CG LEU A 57 -9.207 7.012 9.545 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.414 6.579 8.727 1.00 0.72 C ATOM 937 CD2 LEU A 57 -8.892 5.979 10.614 1.00 1.60 C ATOM 0 H LEU A 57 -6.127 5.608 8.712 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.610 5.488 7.562 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.096 7.275 9.269 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.085 8.216 8.169 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.448 7.956 10.034 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.266 6.424 9.389 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.657 7.353 7.999 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.186 5.649 8.206 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -9.768 5.830 11.245 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -8.622 5.035 10.140 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.060 6.330 11.225 1.00 1.60 H new ATOM 949 N GLU A 58 -6.783 7.770 5.997 1.00 0.39 N ATOM 950 CA GLU A 58 -6.637 8.478 4.736 1.00 0.43 C ATOM 951 C GLU A 58 -5.845 7.642 3.744 1.00 0.51 C ATOM 952 O GLU A 58 -5.128 6.718 4.126 1.00 1.09 O ATOM 953 CB GLU A 58 -5.942 9.818 4.964 1.00 0.44 C ATOM 954 CG GLU A 58 -4.498 9.678 5.407 1.00 0.44 C ATOM 955 CD GLU A 58 -4.155 10.590 6.570 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.433 10.206 7.726 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.610 11.686 6.325 1.00 1.54 O ATOM 0 H GLU A 58 -6.104 8.035 6.710 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.630 8.659 4.323 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.977 10.399 4.042 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.493 10.381 5.717 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.308 8.643 5.693 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.840 9.903 4.567 1.00 0.44 H new ATOM 964 N ASN A 59 -5.973 7.974 2.469 1.00 0.31 N ATOM 965 CA ASN A 59 -5.258 7.250 1.422 1.00 0.28 C ATOM 966 C ASN A 59 -3.764 7.581 1.450 1.00 0.28 C ATOM 967 O ASN A 59 -2.976 6.965 0.735 1.00 0.49 O ATOM 968 CB ASN A 59 -5.827 7.562 0.030 1.00 0.32 C ATOM 969 CG ASN A 59 -7.285 7.984 0.056 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.077 7.472 0.847 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.642 8.923 -0.812 1.00 0.91 N ATOM 0 H ASN A 59 -6.562 8.736 2.132 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.393 6.187 1.621 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.235 8.355 -0.427 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.723 6.681 -0.603 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.608 9.249 -0.842 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.950 9.318 -1.449 1.00 0.91 H new ATOM 978 N GLU A 60 -3.377 8.550 2.281 1.00 0.29 N ATOM 979 CA GLU A 60 -1.978 8.945 2.396 1.00 0.29 C ATOM 980 C GLU A 60 -1.345 8.254 3.592 1.00 0.27 C ATOM 981 O GLU A 60 -1.497 8.696 4.731 1.00 0.35 O ATOM 982 CB GLU A 60 -1.863 10.465 2.540 1.00 0.34 C ATOM 983 CG GLU A 60 -0.578 11.036 1.963 1.00 0.49 C ATOM 984 CD GLU A 60 -0.791 12.374 1.280 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.754 12.491 0.494 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.004 13.303 1.533 1.00 2.05 O ATOM 0 H GLU A 60 -4.014 9.073 2.882 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.450 8.644 1.491 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.713 10.934 2.045 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.925 10.727 3.596 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.155 11.152 2.762 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.160 10.329 1.247 1.00 0.49 H new ATOM 993 N PHE A 61 -0.648 7.158 3.328 1.00 0.24 N ATOM 994 CA PHE A 61 -0.009 6.394 4.387 1.00 0.24 C ATOM 995 C PHE A 61 1.455 6.114 4.064 1.00 0.24 C ATOM 996 O PHE A 61 1.893 6.263 2.923 1.00 0.25 O ATOM 997 CB PHE A 61 -0.769 5.082 4.596 1.00 0.28 C ATOM 998 CG PHE A 61 -0.077 4.124 5.520 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.262 4.209 6.891 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.753 3.135 5.019 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.368 3.329 7.741 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.387 2.249 5.869 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.213 2.357 7.228 1.00 0.48 C ATOM 0 H PHE A 61 -0.511 6.779 2.391 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.036 6.982 5.304 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.759 5.305 4.994 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.915 4.599 3.630 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.907 4.974 7.297 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.906 3.055 3.953 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.204 3.396 8.806 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.019 1.472 5.465 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.734 1.686 7.895 1.00 0.48 H new ATOM 1013 N THR A 62 2.207 5.697 5.081 1.00 0.25 N ATOM 1014 CA THR A 62 3.614 5.385 4.912 1.00 0.27 C ATOM 1015 C THR A 62 3.893 3.955 5.322 1.00 0.29 C ATOM 1016 O THR A 62 3.629 3.560 6.458 1.00 0.35 O ATOM 1017 CB THR A 62 4.489 6.345 5.717 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.196 7.689 5.386 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.971 6.127 5.496 1.00 0.37 C ATOM 0 H THR A 62 1.859 5.569 6.031 1.00 0.25 H new ATOM 0 HA THR A 62 3.860 5.502 3.857 1.00 0.27 H new ATOM 0 HB THR A 62 4.259 6.140 6.763 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.766 8.287 5.913 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.537 6.840 6.096 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.237 5.112 5.791 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.207 6.272 4.442 1.00 0.37 H new ATOM 1027 N VAL A 63 4.424 3.177 4.389 1.00 0.31 N ATOM 1028 CA VAL A 63 4.727 1.788 4.659 1.00 0.36 C ATOM 1029 C VAL A 63 6.044 1.638 5.405 1.00 0.38 C ATOM 1030 O VAL A 63 7.120 1.705 4.811 1.00 0.50 O ATOM 1031 CB VAL A 63 4.772 0.968 3.360 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.924 -0.506 3.678 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.518 1.219 2.537 1.00 0.58 C ATOM 0 H VAL A 63 4.651 3.487 3.444 1.00 0.31 H new ATOM 0 HA VAL A 63 3.926 1.405 5.291 1.00 0.36 H new ATOM 0 HB VAL A 63 5.634 1.282 2.772 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.955 -1.077 2.750 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.849 -0.665 4.233 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.078 -0.837 4.280 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.562 0.633 1.619 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.640 0.927 3.113 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.452 2.278 2.288 1.00 0.58 H new ATOM 1043 N SER A 64 5.946 1.434 6.714 1.00 0.49 N ATOM 1044 CA SER A 64 7.126 1.271 7.551 1.00 0.55 C ATOM 1045 C SER A 64 7.465 -0.204 7.726 1.00 0.63 C ATOM 1046 O SER A 64 6.579 -1.037 7.918 1.00 0.99 O ATOM 1047 CB SER A 64 6.906 1.922 8.915 1.00 0.63 C ATOM 1048 OG SER A 64 5.533 1.921 9.267 1.00 1.33 O ATOM 0 H SER A 64 5.061 1.378 7.217 1.00 0.49 H new ATOM 0 HA SER A 64 7.963 1.763 7.056 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.479 1.388 9.673 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.279 2.946 8.897 1.00 0.63 H new ATOM 0 HG SER A 64 5.420 2.342 10.145 1.00 1.33 H new ATOM 1054 N GLY A 65 8.751 -0.517 7.654 1.00 0.71 N ATOM 1055 CA GLY A 65 9.191 -1.889 7.799 1.00 0.78 C ATOM 1056 C GLY A 65 10.208 -2.284 6.745 1.00 0.72 C ATOM 1057 O GLY A 65 10.861 -3.321 6.865 1.00 0.90 O ATOM 0 H GLY A 65 9.500 0.158 7.497 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.626 -2.026 8.789 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.329 -2.553 7.735 1.00 0.78 H new ATOM 1061 N LEU A 66 10.347 -1.455 5.709 1.00 0.64 N ATOM 1062 CA LEU A 66 11.292 -1.727 4.639 1.00 0.65 C ATOM 1063 C LEU A 66 12.695 -1.912 5.202 1.00 0.59 C ATOM 1064 O LEU A 66 12.886 -1.939 6.418 1.00 0.65 O ATOM 1065 CB LEU A 66 11.274 -0.582 3.612 1.00 0.74 C ATOM 1066 CG LEU A 66 9.911 -0.236 2.966 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.784 -1.158 3.434 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.553 1.217 3.243 1.00 0.89 C ATOM 0 H LEU A 66 9.815 -0.592 5.594 1.00 0.64 H new ATOM 0 HA LEU A 66 10.997 -2.650 4.140 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.655 0.316 4.099 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.973 -0.832 2.814 1.00 0.74 H new ATOM 0 HG LEU A 66 10.019 -0.388 1.892 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.852 -0.869 2.949 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.025 -2.188 3.173 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.671 -1.075 4.515 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.592 1.449 2.784 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.489 1.377 4.319 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.321 1.867 2.825 1.00 0.89 H new ATOM 1080 N THR A 67 13.675 -2.041 4.318 1.00 0.65 N ATOM 1081 CA THR A 67 15.057 -2.226 4.740 1.00 0.69 C ATOM 1082 C THR A 67 16.021 -1.680 3.698 1.00 0.72 C ATOM 1083 O THR A 67 15.644 -1.443 2.550 1.00 1.06 O ATOM 1084 CB THR A 67 15.346 -3.706 4.985 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.303 -4.308 5.730 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.642 -3.947 5.730 1.00 0.99 C ATOM 0 H THR A 67 13.540 -2.021 3.307 1.00 0.65 H new ATOM 0 HA THR A 67 15.200 -1.675 5.669 1.00 0.69 H new ATOM 0 HB THR A 67 15.427 -4.151 3.993 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.638 -4.684 5.117 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.787 -5.018 5.871 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.474 -3.541 5.154 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.600 -3.456 6.702 1.00 0.99 H new ATOM 1094 N GLU A 68 17.269 -1.485 4.104 1.00 0.66 N ATOM 1095 CA GLU A 68 18.288 -0.971 3.205 1.00 0.67 C ATOM 1096 C GLU A 68 18.742 -2.048 2.225 1.00 0.60 C ATOM 1097 O GLU A 68 19.185 -3.124 2.627 1.00 0.69 O ATOM 1098 CB GLU A 68 19.484 -0.446 4.003 1.00 0.76 C ATOM 1099 CG GLU A 68 20.373 0.496 3.210 1.00 0.96 C ATOM 1100 CD GLU A 68 21.622 0.899 3.969 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.532 1.812 4.817 1.00 1.89 O ATOM 1102 OE2 GLU A 68 22.690 0.304 3.715 1.00 1.91 O ATOM 0 H GLU A 68 17.598 -1.676 5.051 1.00 0.66 H new ATOM 0 HA GLU A 68 17.855 -0.149 2.635 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.120 0.071 4.891 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.080 -1.291 4.348 1.00 0.76 H new ATOM 0 HG2 GLU A 68 20.660 0.016 2.274 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.807 1.390 2.949 1.00 0.96 H new ATOM 1109 N ASP A 69 18.626 -1.749 0.933 1.00 0.52 N ATOM 1110 CA ASP A 69 19.022 -2.684 -0.118 1.00 0.49 C ATOM 1111 C ASP A 69 18.006 -3.812 -0.275 1.00 0.44 C ATOM 1112 O ASP A 69 18.309 -4.974 -0.010 1.00 0.54 O ATOM 1113 CB ASP A 69 20.405 -3.271 0.176 1.00 0.59 C ATOM 1114 CG ASP A 69 21.052 -3.875 -1.055 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.318 -4.412 -1.911 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.295 -3.809 -1.164 1.00 1.66 O ATOM 0 H ASP A 69 18.259 -0.862 0.588 1.00 0.52 H new ATOM 0 HA ASP A 69 19.061 -2.126 -1.053 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.051 -2.489 0.575 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.315 -4.036 0.948 1.00 0.59 H new ATOM 1121 N ALA A 70 16.800 -3.462 -0.713 1.00 0.40 N ATOM 1122 CA ALA A 70 15.741 -4.441 -0.913 1.00 0.40 C ATOM 1123 C ALA A 70 14.517 -3.795 -1.541 1.00 0.35 C ATOM 1124 O ALA A 70 13.864 -2.958 -0.919 1.00 0.36 O ATOM 1125 CB ALA A 70 15.361 -5.092 0.405 1.00 0.49 C ATOM 0 H ALA A 70 16.533 -2.503 -0.936 1.00 0.40 H new ATOM 0 HA ALA A 70 16.117 -5.207 -1.591 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.568 -5.821 0.236 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.231 -5.594 0.827 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.010 -4.329 1.100 1.00 0.49 H new ATOM 1131 N ALA A 71 14.201 -4.183 -2.769 1.00 0.33 N ATOM 1132 CA ALA A 71 13.043 -3.628 -3.449 1.00 0.30 C ATOM 1133 C ALA A 71 11.771 -4.016 -2.719 1.00 0.27 C ATOM 1134 O ALA A 71 11.594 -5.171 -2.331 1.00 0.36 O ATOM 1135 CB ALA A 71 12.996 -4.081 -4.900 1.00 0.34 C ATOM 0 H ALA A 71 14.725 -4.872 -3.308 1.00 0.33 H new ATOM 0 HA ALA A 71 13.127 -2.541 -3.443 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.120 -3.652 -5.387 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.897 -3.747 -5.415 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.937 -5.169 -4.940 1.00 0.34 H new ATOM 1141 N TYR A 72 10.895 -3.044 -2.513 1.00 0.24 N ATOM 1142 CA TYR A 72 9.651 -3.292 -1.803 1.00 0.24 C ATOM 1143 C TYR A 72 8.434 -2.841 -2.600 1.00 0.21 C ATOM 1144 O TYR A 72 8.277 -1.657 -2.894 1.00 0.23 O ATOM 1145 CB TYR A 72 9.677 -2.572 -0.460 1.00 0.30 C ATOM 1146 CG TYR A 72 10.397 -3.340 0.617 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.745 -4.340 1.321 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.725 -3.067 0.933 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.386 -5.051 2.309 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.377 -3.777 1.924 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.702 -4.769 2.610 1.00 0.46 C ATOM 1152 OH TYR A 72 12.346 -5.477 3.597 1.00 0.56 O ATOM 0 H TYR A 72 11.022 -2.081 -2.826 1.00 0.24 H new ATOM 0 HA TYR A 72 9.566 -4.368 -1.653 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.156 -1.601 -0.586 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.653 -2.382 -0.138 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.714 -4.565 1.090 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.252 -2.291 0.398 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.861 -5.827 2.847 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.408 -3.558 2.161 1.00 0.42 H new ATOM 0 HH TYR A 72 13.204 -5.806 3.257 1.00 0.56 H new ATOM 1162 N GLU A 73 7.566 -3.793 -2.933 1.00 0.21 N ATOM 1163 CA GLU A 73 6.350 -3.487 -3.686 1.00 0.21 C ATOM 1164 C GLU A 73 5.148 -3.460 -2.745 1.00 0.23 C ATOM 1165 O GLU A 73 5.071 -4.270 -1.821 1.00 0.32 O ATOM 1166 CB GLU A 73 6.138 -4.528 -4.785 1.00 0.25 C ATOM 1167 CG GLU A 73 5.929 -3.924 -6.165 1.00 0.65 C ATOM 1168 CD GLU A 73 6.037 -4.952 -7.275 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.483 -6.061 -7.115 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.674 -4.647 -8.305 1.00 1.50 O ATOM 0 H GLU A 73 7.680 -4.778 -2.695 1.00 0.21 H new ATOM 0 HA GLU A 73 6.456 -2.506 -4.149 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.001 -5.192 -4.816 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.273 -5.141 -4.531 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.947 -3.452 -6.206 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.667 -3.139 -6.329 1.00 0.65 H new ATOM 1177 N PHE A 74 4.213 -2.531 -2.956 1.00 0.22 N ATOM 1178 CA PHE A 74 3.040 -2.459 -2.056 1.00 0.28 C ATOM 1179 C PHE A 74 1.712 -2.180 -2.769 1.00 0.25 C ATOM 1180 O PHE A 74 1.514 -1.097 -3.315 1.00 0.30 O ATOM 1181 CB PHE A 74 3.227 -1.374 -0.976 1.00 0.39 C ATOM 1182 CG PHE A 74 4.611 -0.801 -0.868 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.987 0.261 -1.668 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.526 -1.319 0.031 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.252 0.801 -1.576 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.797 -0.782 0.130 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.161 0.281 -0.677 1.00 0.53 C ATOM 0 H PHE A 74 4.232 -1.841 -3.707 1.00 0.22 H new ATOM 0 HA PHE A 74 2.984 -3.453 -1.613 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.531 -0.560 -1.179 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.951 -1.796 -0.010 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.281 0.673 -2.374 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.246 -2.150 0.661 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.532 1.631 -2.208 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.504 -1.192 0.836 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.153 0.702 -0.604 1.00 0.53 H new ATOM 1197 N ARG A 75 0.780 -3.138 -2.717 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.541 -2.940 -3.320 1.00 0.34 C ATOM 1199 C ARG A 75 -1.522 -2.512 -2.233 1.00 0.31 C ATOM 1200 O ARG A 75 -1.227 -2.663 -1.048 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.064 -4.199 -4.029 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.544 -5.521 -3.485 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.034 -6.681 -4.350 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.902 -7.979 -3.692 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.824 -8.505 -2.888 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.941 -7.837 -2.635 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -1.630 -9.694 -2.336 1.00 2.11 N ATOM 0 H ARG A 75 0.913 -4.045 -2.270 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.447 -2.166 -4.081 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.152 -4.204 -3.967 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.805 -4.134 -5.086 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.546 -5.510 -3.464 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.881 -5.657 -2.458 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.080 -6.516 -4.610 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -0.471 -6.694 -5.283 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.051 -8.515 -3.859 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.094 -6.921 -3.056 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.648 -8.239 -2.019 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -0.771 -10.211 -2.526 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -2.339 -10.093 -1.721 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.676 -1.969 -2.615 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.653 -1.526 -1.615 1.00 0.39 C ATOM 1223 C VAL A 76 -4.974 -2.299 -1.693 1.00 0.31 C ATOM 1224 O VAL A 76 -5.546 -2.484 -2.766 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.934 0.002 -1.723 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.143 0.418 -0.890 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.717 0.802 -1.284 1.00 0.54 C ATOM 0 H VAL A 76 -2.956 -1.826 -3.585 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.199 -1.737 -0.647 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.152 0.213 -2.770 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.304 1.491 -0.993 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -6.026 -0.117 -1.239 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.963 0.177 0.158 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.933 1.867 -1.367 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.476 0.560 -0.249 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.869 0.553 -1.922 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.447 -2.718 -0.517 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.695 -3.444 -0.364 1.00 0.31 C ATOM 1239 C ILE A 77 -7.471 -2.799 0.785 1.00 0.30 C ATOM 1240 O ILE A 77 -6.897 -2.031 1.551 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.427 -4.940 -0.053 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -6.015 -5.679 -1.317 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.639 -5.611 0.565 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.528 -7.087 -1.058 1.00 0.42 C ATOM 0 H ILE A 77 -4.961 -2.556 0.365 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.269 -3.398 -1.290 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.614 -4.982 0.671 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.863 -5.716 -2.000 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.227 -5.116 -1.817 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.411 -6.657 0.768 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.897 -5.108 1.497 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.480 -5.550 -0.125 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.251 -7.556 -2.002 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.660 -7.056 -0.400 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.322 -7.665 -0.585 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.757 -3.102 0.921 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.535 -2.513 2.015 1.00 0.30 C ATOM 1258 C ALA A 78 -10.995 -2.922 1.962 1.00 0.34 C ATOM 1259 O ALA A 78 -11.618 -2.881 0.909 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.431 -0.995 1.984 1.00 0.39 C ATOM 0 H ALA A 78 -9.275 -3.733 0.309 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.113 -2.892 2.946 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.014 -0.574 2.803 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.387 -0.700 2.092 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.817 -0.623 1.035 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.555 -3.299 3.105 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.960 -3.683 3.127 1.00 0.43 C ATOM 1268 C LYS A 79 -13.820 -2.461 2.835 1.00 0.59 C ATOM 1269 O LYS A 79 -13.970 -2.072 1.677 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.379 -4.368 4.446 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.512 -4.022 5.645 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.169 -4.455 6.947 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.251 -5.968 7.053 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.248 -6.428 8.469 1.00 1.98 N ATOM 0 H LYS A 79 -11.075 -3.347 4.004 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.114 -4.431 2.349 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.410 -4.095 4.670 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.360 -5.448 4.301 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.541 -4.508 5.546 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.330 -2.947 5.667 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.602 -4.060 7.790 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.171 -4.030 7.009 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.158 -6.317 6.560 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.409 -6.415 6.525 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.305 -7.466 8.497 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.371 -6.117 8.933 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.066 -6.023 8.967 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.376 -1.850 3.874 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.208 -0.663 3.712 1.00 0.70 C ATOM 1290 C ASN A 80 -15.906 -0.311 5.034 1.00 0.87 C ATOM 1291 O ASN A 80 -15.297 0.316 5.901 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.195 -0.856 2.550 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.828 -2.237 2.534 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.384 -2.623 1.391 1.00 2.19 O flip ATOM 1295 ND2 ASN A 80 -16.820 -2.948 3.540 1.00 2.05 N flip ATOM 0 H ASN A 80 -14.266 -2.157 4.840 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.578 0.188 3.454 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.980 -0.103 2.618 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.675 -0.690 1.607 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -16.382 -2.613 4.398 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.252 -3.872 3.515 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.161 -0.712 5.205 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.888 -0.428 6.434 1.00 0.82 C ATOM 1304 C ALA A 81 -18.589 -1.682 6.949 1.00 0.88 C ATOM 1305 O ALA A 81 -18.579 -1.966 8.146 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.902 0.685 6.214 1.00 0.83 C ATOM 0 H ALA A 81 -17.694 -1.233 4.509 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.167 -0.100 7.183 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.434 0.881 7.145 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.385 1.590 5.893 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.614 0.382 5.446 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.203 -2.424 6.031 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.918 -3.645 6.375 1.00 0.90 C ATOM 1314 C ALA A 82 -18.977 -4.833 6.560 1.00 0.88 C ATOM 1315 O ALA A 82 -19.397 -5.891 7.028 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.950 -3.955 5.304 1.00 0.94 C ATOM 0 H ALA A 82 -19.218 -2.197 5.037 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.416 -3.478 7.330 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.482 -4.869 5.566 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.659 -3.130 5.232 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.450 -4.088 4.345 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.708 -4.669 6.189 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.762 -5.757 6.329 1.00 0.86 C ATOM 1324 C GLY A 83 -16.389 -6.377 4.996 1.00 0.78 C ATOM 1325 O GLY A 83 -15.446 -7.164 4.914 1.00 0.93 O ATOM 0 H GLY A 83 -17.324 -3.809 5.798 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.861 -5.390 6.820 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.188 -6.524 6.976 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.127 -6.019 3.944 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.855 -6.547 2.614 1.00 0.78 C ATOM 1331 C ALA A 84 -15.471 -6.114 2.152 1.00 0.76 C ATOM 1332 O ALA A 84 -15.207 -4.923 1.987 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.919 -6.089 1.627 1.00 0.92 C ATOM 0 H ALA A 84 -17.912 -5.369 3.990 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.882 -7.636 2.659 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.698 -6.494 0.640 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.896 -6.444 1.954 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.926 -5.000 1.579 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.585 -7.083 1.963 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.225 -6.791 1.542 1.00 0.40 C ATOM 1341 C ILE A 85 -13.149 -6.361 0.077 1.00 0.38 C ATOM 1342 O ILE A 85 -13.568 -7.098 -0.815 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.295 -8.001 1.773 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.833 -7.566 1.674 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.596 -9.117 0.782 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.284 -7.004 2.970 1.00 0.79 C ATOM 0 H ILE A 85 -14.785 -8.075 2.095 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.889 -5.957 2.157 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.476 -8.390 2.775 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.227 -8.420 1.371 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.738 -6.814 0.891 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.927 -9.958 0.966 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.629 -9.442 0.903 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.448 -8.751 -0.234 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.242 -6.715 2.829 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.866 -6.130 3.263 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.348 -7.762 3.751 1.00 0.79 H new ATOM 1358 N SER A 86 -12.604 -5.166 -0.166 1.00 0.39 N ATOM 1359 CA SER A 86 -12.466 -4.655 -1.527 1.00 0.45 C ATOM 1360 C SER A 86 -11.127 -5.097 -2.117 1.00 0.44 C ATOM 1361 O SER A 86 -10.083 -4.963 -1.463 1.00 0.43 O ATOM 1362 CB SER A 86 -12.579 -3.127 -1.560 1.00 0.54 C ATOM 1363 OG SER A 86 -11.310 -2.513 -1.428 1.00 0.59 O ATOM 0 H SER A 86 -12.254 -4.540 0.559 1.00 0.39 H new ATOM 0 HA SER A 86 -13.277 -5.065 -2.128 1.00 0.45 H new ATOM 0 HB2 SER A 86 -13.040 -2.815 -2.497 1.00 0.54 H new ATOM 0 HB3 SER A 86 -13.233 -2.791 -0.755 1.00 0.54 H new ATOM 0 HG SER A 86 -10.940 -2.714 -0.543 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.147 -5.639 -3.358 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.948 -6.124 -4.051 1.00 0.61 C ATOM 1371 C PRO A 87 -8.723 -5.229 -3.888 1.00 0.54 C ATOM 1372 O PRO A 87 -8.797 -4.140 -3.320 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.388 -6.159 -5.507 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.841 -6.476 -5.446 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.359 -5.832 -4.185 1.00 0.59 C ATOM 0 HA PRO A 87 -9.623 -7.082 -3.646 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.210 -5.203 -5.999 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.840 -6.914 -6.070 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.361 -6.089 -6.323 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.004 -7.554 -5.428 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.854 -4.884 -4.395 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.088 -6.468 -3.683 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.563 -5.696 -4.392 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.303 -4.966 -4.307 1.00 0.56 C ATOM 1385 C PRO A 88 -6.079 -3.994 -5.458 1.00 0.48 C ATOM 1386 O PRO A 88 -6.835 -3.970 -6.430 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.271 -6.086 -4.377 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.896 -7.113 -5.260 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.390 -6.992 -5.079 1.00 0.72 C ATOM 0 HA PRO A 88 -6.262 -4.345 -3.412 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.326 -5.730 -4.788 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -5.056 -6.490 -3.388 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.618 -6.949 -6.301 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.554 -8.113 -4.993 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.911 -7.009 -6.036 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.788 -7.815 -4.485 1.00 0.72 H new ATOM 1397 N SER A 89 -5.016 -3.207 -5.334 1.00 0.43 N ATOM 1398 CA SER A 89 -4.644 -2.232 -6.349 1.00 0.42 C ATOM 1399 C SER A 89 -3.164 -2.384 -6.685 1.00 0.35 C ATOM 1400 O SER A 89 -2.321 -2.343 -5.783 1.00 0.51 O ATOM 1401 CB SER A 89 -4.933 -0.810 -5.862 1.00 0.56 C ATOM 1402 OG SER A 89 -6.323 -0.601 -5.690 1.00 1.28 O ATOM 0 H SER A 89 -4.390 -3.228 -4.529 1.00 0.43 H new ATOM 0 HA SER A 89 -5.237 -2.412 -7.246 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.416 -0.634 -4.918 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.540 -0.090 -6.580 1.00 0.56 H new ATOM 0 HG SER A 89 -6.523 0.355 -5.774 1.00 1.28 H new ATOM 1408 N GLU A 90 -2.873 -2.571 -7.984 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.502 -2.752 -8.508 1.00 0.37 C ATOM 1410 C GLU A 90 -0.417 -2.237 -7.554 1.00 0.34 C ATOM 1411 O GLU A 90 -0.334 -1.042 -7.294 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.363 -2.050 -9.859 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.638 -2.884 -10.903 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.337 -2.870 -12.249 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.580 -2.993 -12.272 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.642 -2.738 -13.277 1.00 1.76 O ATOM 0 H GLU A 90 -3.589 -2.602 -8.710 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.351 -3.826 -8.616 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.355 -1.797 -10.232 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.827 -1.111 -9.719 1.00 0.49 H new ATOM 0 HG2 GLU A 90 0.378 -2.508 -11.022 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.558 -3.912 -10.550 1.00 0.90 H new ATOM 1423 N PRO A 91 0.427 -3.137 -7.019 1.00 0.30 N ATOM 1424 CA PRO A 91 1.497 -2.764 -6.088 1.00 0.29 C ATOM 1425 C PRO A 91 2.326 -1.578 -6.555 1.00 0.31 C ATOM 1426 O PRO A 91 2.602 -1.420 -7.745 1.00 0.55 O ATOM 1427 CB PRO A 91 2.370 -4.015 -6.036 1.00 0.36 C ATOM 1428 CG PRO A 91 1.436 -5.134 -6.316 1.00 0.36 C ATOM 1429 CD PRO A 91 0.405 -4.592 -7.269 1.00 0.39 C ATOM 0 HA PRO A 91 1.087 -2.453 -5.127 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.170 -3.972 -6.775 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.843 -4.128 -5.061 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.964 -5.981 -6.754 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.969 -5.490 -5.398 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.655 -4.824 -8.304 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.580 -5.016 -7.077 1.00 0.39 H new ATOM 1437 N SER A 92 2.737 -0.757 -5.596 1.00 0.27 N ATOM 1438 CA SER A 92 3.554 0.403 -5.873 1.00 0.31 C ATOM 1439 C SER A 92 4.965 -0.057 -6.196 1.00 0.27 C ATOM 1440 O SER A 92 5.455 -1.023 -5.597 1.00 0.24 O ATOM 1441 CB SER A 92 3.559 1.359 -4.668 1.00 0.39 C ATOM 1442 OG SER A 92 4.876 1.697 -4.267 1.00 1.23 O ATOM 0 H SER A 92 2.511 -0.882 -4.609 1.00 0.27 H new ATOM 0 HA SER A 92 3.143 0.944 -6.726 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.013 2.267 -4.923 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.033 0.894 -3.834 1.00 0.39 H new ATOM 0 HG SER A 92 5.204 1.031 -3.628 1.00 1.23 H new ATOM 1448 N ASP A 93 5.597 0.640 -7.144 1.00 0.33 N ATOM 1449 CA ASP A 93 6.959 0.337 -7.592 1.00 0.36 C ATOM 1450 C ASP A 93 7.824 -0.237 -6.482 1.00 0.32 C ATOM 1451 O ASP A 93 7.834 0.265 -5.358 1.00 0.56 O ATOM 1452 CB ASP A 93 7.623 1.596 -8.141 1.00 0.45 C ATOM 1453 CG ASP A 93 8.017 1.456 -9.598 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.883 0.609 -9.900 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.459 2.194 -10.437 1.00 1.63 O ATOM 0 H ASP A 93 5.176 1.435 -7.625 1.00 0.33 H new ATOM 0 HA ASP A 93 6.872 -0.419 -8.373 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.941 2.440 -8.032 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.509 1.823 -7.549 1.00 0.45 H new ATOM 1460 N ALA A 94 8.557 -1.286 -6.813 1.00 0.33 N ATOM 1461 CA ALA A 94 9.434 -1.922 -5.849 1.00 0.28 C ATOM 1462 C ALA A 94 10.626 -1.017 -5.563 1.00 0.29 C ATOM 1463 O ALA A 94 11.578 -0.962 -6.340 1.00 0.41 O ATOM 1464 CB ALA A 94 9.899 -3.277 -6.358 1.00 0.34 C ATOM 0 H ALA A 94 8.562 -1.713 -7.739 1.00 0.33 H new ATOM 0 HA ALA A 94 8.882 -2.083 -4.923 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.556 -3.737 -5.620 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.034 -3.919 -6.525 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.441 -3.147 -7.295 1.00 0.34 H new ATOM 1470 N ILE A 95 10.559 -0.303 -4.450 1.00 0.25 N ATOM 1471 CA ILE A 95 11.625 0.610 -4.067 1.00 0.28 C ATOM 1472 C ILE A 95 12.811 -0.151 -3.482 1.00 0.26 C ATOM 1473 O ILE A 95 12.734 -0.689 -2.376 1.00 0.25 O ATOM 1474 CB ILE A 95 11.127 1.667 -3.055 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.016 2.518 -3.679 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.276 2.560 -2.607 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.616 2.023 -3.380 1.00 0.44 C ATOM 0 H ILE A 95 9.777 -0.338 -3.796 1.00 0.25 H new ATOM 0 HA ILE A 95 11.949 1.126 -4.971 1.00 0.28 H new ATOM 0 HB ILE A 95 10.728 1.147 -2.184 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.112 3.542 -3.319 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.157 2.545 -4.759 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.907 3.298 -1.895 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.046 1.952 -2.133 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.699 3.071 -3.472 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.888 2.679 -3.857 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.498 1.010 -3.765 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.453 2.023 -2.302 1.00 0.44 H new ATOM 1489 N THR A 96 13.906 -0.190 -4.237 1.00 0.29 N ATOM 1490 CA THR A 96 15.117 -0.885 -3.807 1.00 0.32 C ATOM 1491 C THR A 96 15.502 -0.487 -2.389 1.00 0.32 C ATOM 1492 O THR A 96 16.156 -1.248 -1.681 1.00 0.38 O ATOM 1493 CB THR A 96 16.270 -0.587 -4.767 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.916 -0.929 -6.095 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.542 -1.333 -4.425 1.00 0.43 C ATOM 0 H THR A 96 13.980 0.253 -5.153 1.00 0.29 H new ATOM 0 HA THR A 96 14.913 -1.956 -3.818 1.00 0.32 H new ATOM 0 HB THR A 96 16.458 0.482 -4.670 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.665 -0.730 -6.695 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.319 -1.076 -5.145 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.869 -1.054 -3.423 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.355 -2.406 -4.460 1.00 0.43 H new ATOM 1503 N CYS A 97 15.093 0.705 -1.975 1.00 0.32 N ATOM 1504 CA CYS A 97 15.405 1.181 -0.634 1.00 0.36 C ATOM 1505 C CYS A 97 16.903 1.079 -0.359 1.00 0.43 C ATOM 1506 O CYS A 97 17.320 0.731 0.744 1.00 0.64 O ATOM 1507 CB CYS A 97 14.633 0.361 0.402 1.00 0.38 C ATOM 1508 SG CYS A 97 12.835 0.444 0.239 1.00 1.10 S ATOM 0 H CYS A 97 14.549 1.355 -2.543 1.00 0.32 H new ATOM 0 HA CYS A 97 15.109 2.228 -0.563 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.944 -0.681 0.326 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.911 0.705 1.398 1.00 0.38 H new ATOM 0 HG CYS A 97 12.492 0.091 -0.964 1.00 1.10 H new ATOM 1514 N ARG A 98 17.704 1.375 -1.377 1.00 0.53 N ATOM 1515 CA ARG A 98 19.157 1.310 -1.267 1.00 0.63 C ATOM 1516 C ARG A 98 19.708 2.443 -0.412 1.00 0.80 C ATOM 1517 O ARG A 98 20.536 2.229 0.473 1.00 1.04 O ATOM 1518 CB ARG A 98 19.779 1.376 -2.660 1.00 0.68 C ATOM 1519 CG ARG A 98 19.386 2.623 -3.436 1.00 0.74 C ATOM 1520 CD ARG A 98 19.934 2.590 -4.847 1.00 0.92 C ATOM 1521 NE ARG A 98 19.435 1.442 -5.601 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.082 0.883 -6.619 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.254 1.369 -7.006 1.00 2.68 N ATOM 1524 NH2 ARG A 98 19.564 -0.160 -7.255 1.00 3.00 N ATOM 0 H ARG A 98 17.368 1.665 -2.295 1.00 0.53 H new ATOM 0 HA ARG A 98 19.414 0.367 -0.784 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.865 1.341 -2.568 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.479 0.494 -3.226 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.300 2.707 -3.468 1.00 0.74 H new ATOM 0 HG3 ARG A 98 19.759 3.508 -2.920 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.660 3.510 -5.364 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.023 2.556 -4.812 1.00 0.92 H new ATOM 0 HE ARG A 98 18.535 1.045 -5.330 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.658 2.171 -6.523 1.00 2.68 H new ATOM 0 HH12 ARG A 98 21.751 0.941 -7.787 1.00 2.68 H new ATOM 0 HH21 ARG A 98 18.663 -0.539 -6.964 1.00 3.00 H new ATOM 0 HH22 ARG A 98 20.067 -0.583 -8.035 1.00 3.00 H new ATOM 1538 N ASP A 99 19.244 3.644 -0.695 1.00 0.92 N ATOM 1539 CA ASP A 99 19.681 4.834 0.023 1.00 1.20 C ATOM 1540 C ASP A 99 18.685 5.966 -0.177 1.00 1.03 C ATOM 1541 O ASP A 99 19.065 7.133 -0.253 1.00 1.20 O ATOM 1542 CB ASP A 99 21.057 5.267 -0.482 1.00 1.61 C ATOM 1543 CG ASP A 99 21.050 5.618 -1.957 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.416 4.881 -2.740 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.681 6.631 -2.328 1.00 2.14 O ATOM 0 H ASP A 99 18.556 3.827 -1.426 1.00 0.92 H new ATOM 0 HA ASP A 99 19.742 4.599 1.086 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.396 6.129 0.092 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.774 4.465 -0.306 1.00 1.61 H new ATOM 1550 N ASP A 100 17.411 5.602 -0.282 1.00 0.85 N ATOM 1551 CA ASP A 100 16.340 6.569 -0.495 1.00 0.92 C ATOM 1552 C ASP A 100 16.646 7.497 -1.665 1.00 1.22 C ATOM 1553 O ASP A 100 16.085 8.588 -1.771 1.00 1.38 O ATOM 1554 CB ASP A 100 16.073 7.380 0.776 1.00 0.87 C ATOM 1555 CG ASP A 100 17.153 8.405 1.064 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.403 9.265 0.195 1.00 2.03 O ATOM 1557 OD2 ASP A 100 17.749 8.347 2.161 1.00 2.06 O ATOM 0 H ASP A 100 17.093 4.635 -0.222 1.00 0.85 H new ATOM 0 HA ASP A 100 15.440 6.006 -0.742 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.114 7.889 0.681 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.990 6.700 1.624 1.00 0.87 H new ATOM 1562 N VAL A 101 17.530 7.049 -2.544 1.00 1.43 N ATOM 1563 CA VAL A 101 17.909 7.809 -3.711 1.00 1.90 C ATOM 1564 C VAL A 101 17.449 7.093 -4.974 1.00 2.23 C ATOM 1565 O VAL A 101 17.214 7.721 -6.008 1.00 2.80 O ATOM 1566 CB VAL A 101 19.429 7.998 -3.767 1.00 2.20 C ATOM 1567 CG1 VAL A 101 19.858 9.132 -2.850 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.144 6.705 -3.408 1.00 2.22 C ATOM 0 H VAL A 101 18.001 6.148 -2.462 1.00 1.43 H new ATOM 0 HA VAL A 101 17.431 8.787 -3.647 1.00 1.90 H new ATOM 0 HB VAL A 101 19.708 8.263 -4.787 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.940 9.252 -2.902 1.00 2.67 H new ATOM 0 HG12 VAL A 101 19.374 10.057 -3.164 1.00 2.67 H new ATOM 0 HG13 VAL A 101 19.568 8.901 -1.825 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.222 6.860 -3.454 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.864 6.402 -2.399 1.00 2.22 H new ATOM 0 HG23 VAL A 101 19.860 5.924 -4.113 1.00 2.22 H new ATOM 1578 N GLU A 102 17.320 5.766 -4.882 1.00 1.99 N ATOM 1579 CA GLU A 102 16.885 4.945 -6.013 1.00 2.40 C ATOM 1580 C GLU A 102 17.519 5.410 -7.319 1.00 2.00 C ATOM 1581 O GLU A 102 16.830 5.869 -8.231 1.00 2.49 O ATOM 1582 CB GLU A 102 15.365 4.975 -6.130 1.00 3.22 C ATOM 1583 CG GLU A 102 14.787 6.377 -6.227 1.00 3.87 C ATOM 1584 CD GLU A 102 15.826 7.452 -5.973 1.00 4.18 C ATOM 1585 OE1 GLU A 102 17.032 7.129 -5.992 1.00 4.47 O ATOM 1586 OE2 GLU A 102 15.433 8.617 -5.754 1.00 4.58 O ATOM 0 H GLU A 102 17.512 5.237 -4.031 1.00 1.99 H new ATOM 0 HA GLU A 102 17.213 3.922 -5.827 1.00 2.40 H new ATOM 0 HB2 GLU A 102 15.066 4.407 -7.011 1.00 3.22 H new ATOM 0 HB3 GLU A 102 14.933 4.473 -5.265 1.00 3.22 H new ATOM 0 HG2 GLU A 102 14.355 6.521 -7.217 1.00 3.87 H new ATOM 0 HG3 GLU A 102 13.976 6.483 -5.507 1.00 3.87 H new ATOM 1593 N ALA A 103 18.834 5.286 -7.398 1.00 1.84 N ATOM 1594 CA ALA A 103 19.573 5.690 -8.586 1.00 2.56 C ATOM 1595 C ALA A 103 20.241 4.491 -9.250 1.00 3.21 C ATOM 1596 O ALA A 103 19.711 4.013 -10.276 1.00 3.72 O ATOM 1597 CB ALA A 103 20.608 6.746 -8.228 1.00 3.26 C ATOM 1598 OXT ALA A 103 21.287 4.039 -8.740 1.00 3.79 O ATOM 0 H ALA A 103 19.415 4.907 -6.650 1.00 1.84 H new ATOM 0 HA ALA A 103 18.867 6.117 -9.298 1.00 2.56 H new ATOM 0 HB1 ALA A 103 21.154 7.039 -9.125 1.00 3.26 H new ATOM 0 HB2 ALA A 103 20.108 7.618 -7.806 1.00 3.26 H new ATOM 0 HB3 ALA A 103 21.305 6.339 -7.496 1.00 3.26 H new TER 1604 ALA A 103