USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1007 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 101 ASN : amide:sc= -0.576 K(o=-0.58,f=-2) USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 90 TYR OH : rot 64:sc=-0.00657 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.652 X(o=0.31,f=0.73) USER MOD Set 3.2: A 122 GLN : amide:sc= -0.338! X(o=0.31!,f=0.73) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.396 K(o=1.2,f=-2.8!) USER MOD Set 4.2: A 23 THR OG1 : rot 0:sc= 0.531 USER MOD Set 4.3: A 24 THR OG1 : rot 31:sc= 0.301 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -134:sc= 0 (180deg=-1.45!) USER MOD Single : A 5 MET CE :methyl 158:sc= -0.169 (180deg=-1.61) USER MOD Single : A 7 MET CE :methyl -166:sc= -2.57! (180deg=-3.54!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= -0.176 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= 1.15 (180deg=-1.37!) USER MOD Single : A 22 ASN : amide:sc= 0.0231 K(o=0.023,f=-3.6!) USER MOD Single : A 25 ASN : amide:sc= 0.974 K(o=0.97,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 91:sc= 0.741 USER MOD Single : A 44 TYR OH : rot -6:sc= 0.0432 USER MOD Single : A 45 THR OG1 : rot 47:sc= 0.111 USER MOD Single : A 48 GLN : amide:sc= -0.0237 K(o=-0.024,f=-0.98) USER MOD Single : A 49 SER OG : rot -35:sc= 0.126 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.162 USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00722 F(o=-0.79,f=-0.0072) USER MOD Single : A 63 SER OG : rot -140:sc= -0.33 USER MOD Single : A 68 SER OG : rot 180:sc= -0.323 USER MOD Single : A 69 SER OG : rot -150:sc= -0.247 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.9) USER MOD Single : A 98 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3.5!) USER MOD Single : A 99 CYS SG : rot -160:sc= -1.88 USER MOD Single : A 104 SER OG : rot 3:sc= 0.94 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 CYS SG : rot 61:sc= -3.6! USER MOD Single : A 117 SER OG : rot -172:sc= -0.783 USER MOD Single : B 205 DC O3' : rot 76:sc= -0.858! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.652 -18.749 5.454 1.00 4.24 N ATOM 2 CA GLY A 1 5.919 -19.498 5.650 1.00 3.44 C ATOM 3 C GLY A 1 7.098 -18.755 5.068 1.00 2.58 C ATOM 4 O GLY A 1 7.760 -19.243 4.147 1.00 2.83 O ATOM 0 H1 GLY A 1 3.863 -19.288 5.865 1.00 4.24 H new ATOM 0 H2 GLY A 1 4.720 -17.823 5.922 1.00 4.24 H new ATOM 0 H3 GLY A 1 4.484 -18.611 4.437 1.00 4.24 H new ATOM 0 HA2 GLY A 1 6.083 -19.665 6.715 1.00 3.44 H new ATOM 0 HA3 GLY A 1 5.839 -20.479 5.182 1.00 3.44 H new ATOM 10 N ALA A 2 7.361 -17.572 5.609 1.00 2.09 N ATOM 11 CA ALA A 2 8.396 -16.693 5.087 1.00 1.55 C ATOM 12 C ALA A 2 8.517 -15.454 5.956 1.00 1.26 C ATOM 13 O ALA A 2 7.560 -15.065 6.633 1.00 1.45 O ATOM 14 CB ALA A 2 8.066 -16.286 3.657 1.00 2.08 C ATOM 0 H ALA A 2 6.865 -17.198 6.418 1.00 2.09 H new ATOM 0 HA ALA A 2 9.345 -17.229 5.096 1.00 1.55 H new ATOM 0 HB1 ALA A 2 8.847 -15.628 3.276 1.00 2.08 H new ATOM 0 HB2 ALA A 2 8.004 -17.176 3.031 1.00 2.08 H new ATOM 0 HB3 ALA A 2 7.110 -15.762 3.639 1.00 2.08 H new ATOM 20 N MET A 3 9.690 -14.841 5.950 1.00 1.02 N ATOM 21 CA MET A 3 9.890 -13.596 6.668 1.00 0.92 C ATOM 22 C MET A 3 9.397 -12.430 5.829 1.00 0.65 C ATOM 23 O MET A 3 10.123 -11.906 4.983 1.00 0.82 O ATOM 24 CB MET A 3 11.362 -13.386 7.033 1.00 1.21 C ATOM 25 CG MET A 3 11.616 -12.062 7.742 1.00 1.47 C ATOM 26 SD MET A 3 13.358 -11.780 8.105 1.00 1.88 S ATOM 27 CE MET A 3 13.286 -10.147 8.838 1.00 2.83 C ATOM 0 H MET A 3 10.514 -15.185 5.457 1.00 1.02 H new ATOM 0 HA MET A 3 9.318 -13.650 7.595 1.00 0.92 H new ATOM 0 HB2 MET A 3 11.692 -14.204 7.673 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.965 -13.428 6.126 1.00 1.21 H new ATOM 0 HG2 MET A 3 11.243 -11.247 7.122 1.00 1.47 H new ATOM 0 HG3 MET A 3 11.049 -12.040 8.672 1.00 1.47 H new ATOM 0 HE1 MET A 3 14.069 -9.521 8.410 1.00 2.83 H new ATOM 0 HE2 MET A 3 12.313 -9.700 8.635 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.432 -10.225 9.915 1.00 2.83 H new ATOM 37 N ALA A 4 8.149 -12.054 6.040 1.00 0.46 N ATOM 38 CA ALA A 4 7.588 -10.898 5.370 1.00 0.37 C ATOM 39 C ALA A 4 8.170 -9.623 5.971 1.00 0.34 C ATOM 40 O ALA A 4 7.844 -9.249 7.098 1.00 0.43 O ATOM 41 CB ALA A 4 6.070 -10.910 5.476 1.00 0.57 C ATOM 0 H ALA A 4 7.506 -12.533 6.670 1.00 0.46 H new ATOM 0 HA ALA A 4 7.849 -10.933 4.312 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.663 -10.036 4.968 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.680 -11.815 5.010 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.778 -10.888 6.526 1.00 0.57 H new ATOM 47 N MET A 5 9.051 -8.980 5.222 1.00 0.30 N ATOM 48 CA MET A 5 9.716 -7.774 5.686 1.00 0.33 C ATOM 49 C MET A 5 8.874 -6.549 5.359 1.00 0.34 C ATOM 50 O MET A 5 8.576 -6.293 4.190 1.00 0.34 O ATOM 51 CB MET A 5 11.098 -7.642 5.037 1.00 0.35 C ATOM 52 CG MET A 5 12.042 -8.784 5.374 1.00 0.63 C ATOM 53 SD MET A 5 13.701 -8.536 4.706 1.00 1.25 S ATOM 54 CE MET A 5 14.177 -7.020 5.534 1.00 0.90 C ATOM 0 H MET A 5 9.323 -9.276 4.285 1.00 0.30 H new ATOM 0 HA MET A 5 9.839 -7.843 6.767 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.978 -7.589 3.955 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.550 -6.702 5.354 1.00 0.35 H new ATOM 0 HG2 MET A 5 12.103 -8.892 6.457 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.633 -9.716 4.983 1.00 0.63 H new ATOM 0 HE1 MET A 5 15.264 -6.939 5.549 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.757 -6.167 5.001 1.00 0.90 H new ATOM 0 HE3 MET A 5 13.800 -7.030 6.557 1.00 0.90 H new ATOM 64 N PRO A 6 8.469 -5.784 6.392 1.00 0.41 N ATOM 65 CA PRO A 6 7.684 -4.559 6.216 1.00 0.46 C ATOM 66 C PRO A 6 8.296 -3.660 5.154 1.00 0.39 C ATOM 67 O PRO A 6 9.482 -3.341 5.204 1.00 0.38 O ATOM 68 CB PRO A 6 7.759 -3.893 7.590 1.00 0.58 C ATOM 69 CG PRO A 6 7.936 -5.023 8.542 1.00 0.61 C ATOM 70 CD PRO A 6 8.759 -6.052 7.814 1.00 0.49 C ATOM 0 HA PRO A 6 6.664 -4.756 5.885 1.00 0.46 H new ATOM 0 HB2 PRO A 6 8.592 -3.192 7.647 1.00 0.58 H new ATOM 0 HB3 PRO A 6 6.852 -3.329 7.808 1.00 0.58 H new ATOM 0 HG2 PRO A 6 8.439 -4.693 9.451 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.973 -5.435 8.842 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.821 -5.945 8.034 1.00 0.49 H new ATOM 0 HD3 PRO A 6 8.476 -7.066 8.097 1.00 0.49 H new ATOM 78 N MET A 7 7.471 -3.264 4.191 1.00 0.37 N ATOM 79 CA MET A 7 7.934 -2.541 3.013 1.00 0.32 C ATOM 80 C MET A 7 8.639 -1.243 3.376 1.00 0.29 C ATOM 81 O MET A 7 9.579 -0.833 2.699 1.00 0.28 O ATOM 82 CB MET A 7 6.760 -2.253 2.089 1.00 0.40 C ATOM 83 CG MET A 7 6.915 -2.867 0.713 1.00 0.37 C ATOM 84 SD MET A 7 8.324 -2.188 -0.184 1.00 1.39 S ATOM 85 CE MET A 7 8.054 -2.888 -1.807 1.00 0.77 C ATOM 0 H MET A 7 6.465 -3.435 4.205 1.00 0.37 H new ATOM 0 HA MET A 7 8.660 -3.175 2.503 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.846 -2.630 2.547 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.643 -1.174 1.987 1.00 0.40 H new ATOM 0 HG2 MET A 7 7.035 -3.946 0.810 1.00 0.37 H new ATOM 0 HG3 MET A 7 6.005 -2.698 0.137 1.00 0.37 H new ATOM 0 HE1 MET A 7 8.956 -2.773 -2.408 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.814 -3.947 -1.711 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.226 -2.371 -2.293 1.00 0.77 H new ATOM 95 N ILE A 8 8.185 -0.601 4.439 1.00 0.30 N ATOM 96 CA ILE A 8 8.816 0.622 4.904 1.00 0.27 C ATOM 97 C ILE A 8 10.223 0.329 5.424 1.00 0.30 C ATOM 98 O ILE A 8 11.171 1.049 5.113 1.00 0.34 O ATOM 99 CB ILE A 8 7.960 1.304 5.993 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.622 1.753 5.397 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.688 2.484 6.617 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.760 2.702 4.223 1.00 0.36 C ATOM 0 H ILE A 8 7.385 -0.905 4.994 1.00 0.30 H new ATOM 0 HA ILE A 8 8.895 1.309 4.062 1.00 0.27 H new ATOM 0 HB ILE A 8 7.775 0.578 6.785 1.00 0.29 H new ATOM 0 HG12 ILE A 8 6.065 0.873 5.076 1.00 0.29 H new ATOM 0 HG13 ILE A 8 6.033 2.237 6.176 1.00 0.29 H new ATOM 0 HG21 ILE A 8 8.056 2.940 7.379 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.616 2.139 7.074 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.915 3.220 5.846 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.770 2.974 3.857 1.00 0.36 H new ATOM 0 HD12 ILE A 8 7.289 3.600 4.542 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.321 2.215 3.425 1.00 0.36 H new ATOM 114 N GLU A 9 10.356 -0.759 6.174 1.00 0.32 N ATOM 115 CA GLU A 9 11.645 -1.171 6.714 1.00 0.39 C ATOM 116 C GLU A 9 12.566 -1.671 5.598 1.00 0.34 C ATOM 117 O GLU A 9 13.789 -1.510 5.657 1.00 0.37 O ATOM 118 CB GLU A 9 11.445 -2.260 7.768 1.00 0.53 C ATOM 119 CG GLU A 9 12.731 -2.719 8.428 1.00 0.66 C ATOM 120 CD GLU A 9 12.491 -3.724 9.529 1.00 0.87 C ATOM 121 OE1 GLU A 9 12.095 -4.868 9.212 1.00 1.67 O ATOM 122 OE2 GLU A 9 12.665 -3.374 10.708 1.00 1.20 O ATOM 0 H GLU A 9 9.582 -1.374 6.423 1.00 0.32 H new ATOM 0 HA GLU A 9 12.118 -0.308 7.182 1.00 0.39 H new ATOM 0 HB2 GLU A 9 10.766 -1.889 8.536 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.961 -3.118 7.302 1.00 0.53 H new ATOM 0 HG2 GLU A 9 13.385 -3.159 7.675 1.00 0.66 H new ATOM 0 HG3 GLU A 9 13.254 -1.855 8.838 1.00 0.66 H new ATOM 129 N TYR A 10 11.967 -2.278 4.580 1.00 0.33 N ATOM 130 CA TYR A 10 12.708 -2.733 3.413 1.00 0.33 C ATOM 131 C TYR A 10 13.379 -1.539 2.738 1.00 0.33 C ATOM 132 O TYR A 10 14.548 -1.599 2.348 1.00 0.40 O ATOM 133 CB TYR A 10 11.774 -3.443 2.432 1.00 0.37 C ATOM 134 CG TYR A 10 12.492 -4.332 1.445 1.00 0.45 C ATOM 135 CD1 TYR A 10 12.807 -5.643 1.779 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.853 -3.871 0.184 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.459 -6.471 0.886 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.504 -4.695 -0.717 1.00 0.60 C ATOM 139 CZ TYR A 10 13.804 -5.994 -0.360 1.00 0.68 C ATOM 140 OH TYR A 10 14.445 -6.823 -1.253 1.00 0.80 O ATOM 0 H TYR A 10 10.965 -2.466 4.541 1.00 0.33 H new ATOM 0 HA TYR A 10 13.473 -3.442 3.730 1.00 0.33 H new ATOM 0 HB2 TYR A 10 11.059 -4.043 2.995 1.00 0.37 H new ATOM 0 HB3 TYR A 10 11.201 -2.695 1.884 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.537 -6.022 2.754 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.622 -2.854 -0.097 1.00 0.50 H new ATOM 0 HE1 TYR A 10 13.697 -7.487 1.163 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.776 -4.324 -1.694 1.00 0.60 H new ATOM 0 HH TYR A 10 14.618 -6.336 -2.086 1.00 0.80 H new ATOM 150 N LEU A 11 12.632 -0.445 2.626 1.00 0.33 N ATOM 151 CA LEU A 11 13.164 0.801 2.092 1.00 0.40 C ATOM 152 C LEU A 11 14.270 1.349 2.981 1.00 0.41 C ATOM 153 O LEU A 11 15.278 1.844 2.483 1.00 0.51 O ATOM 154 CB LEU A 11 12.054 1.841 1.923 1.00 0.47 C ATOM 155 CG LEU A 11 11.442 1.927 0.521 1.00 0.82 C ATOM 156 CD1 LEU A 11 10.777 0.617 0.130 1.00 1.30 C ATOM 157 CD2 LEU A 11 10.450 3.074 0.451 1.00 1.45 C ATOM 0 H LEU A 11 11.651 -0.398 2.900 1.00 0.33 H new ATOM 0 HA LEU A 11 13.588 0.586 1.111 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.259 1.618 2.635 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.453 2.820 2.187 1.00 0.47 H new ATOM 0 HG LEU A 11 12.246 2.116 -0.190 1.00 0.82 H new ATOM 0 HD11 LEU A 11 10.352 0.709 -0.870 1.00 1.30 H new ATOM 0 HD12 LEU A 11 11.517 -0.183 0.137 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.984 0.385 0.841 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.022 3.124 -0.550 1.00 1.45 H new ATOM 0 HD22 LEU A 11 9.654 2.912 1.178 1.00 1.45 H new ATOM 0 HD23 LEU A 11 10.960 4.011 0.675 1.00 1.45 H new ATOM 169 N GLU A 12 14.087 1.246 4.290 1.00 0.39 N ATOM 170 CA GLU A 12 15.088 1.719 5.241 1.00 0.50 C ATOM 171 C GLU A 12 16.435 1.052 4.995 1.00 0.53 C ATOM 172 O GLU A 12 17.458 1.719 4.843 1.00 0.61 O ATOM 173 CB GLU A 12 14.661 1.420 6.680 1.00 0.59 C ATOM 174 CG GLU A 12 13.314 1.996 7.068 1.00 0.65 C ATOM 175 CD GLU A 12 12.958 1.699 8.509 1.00 0.74 C ATOM 176 OE1 GLU A 12 13.631 0.850 9.131 1.00 1.41 O ATOM 177 OE2 GLU A 12 12.017 2.324 9.034 1.00 0.90 O ATOM 0 H GLU A 12 13.256 0.840 4.719 1.00 0.39 H new ATOM 0 HA GLU A 12 15.178 2.796 5.098 1.00 0.50 H new ATOM 0 HB2 GLU A 12 14.634 0.339 6.821 1.00 0.59 H new ATOM 0 HB3 GLU A 12 15.419 1.811 7.359 1.00 0.59 H new ATOM 0 HG2 GLU A 12 13.324 3.075 6.913 1.00 0.65 H new ATOM 0 HG3 GLU A 12 12.544 1.587 6.414 1.00 0.65 H new ATOM 184 N ARG A 13 16.424 -0.269 4.958 1.00 0.50 N ATOM 185 CA ARG A 13 17.652 -1.045 4.898 1.00 0.57 C ATOM 186 C ARG A 13 18.237 -1.101 3.486 1.00 0.60 C ATOM 187 O ARG A 13 19.439 -0.929 3.299 1.00 0.69 O ATOM 188 CB ARG A 13 17.392 -2.461 5.414 1.00 0.58 C ATOM 189 CG ARG A 13 16.774 -2.494 6.805 1.00 0.61 C ATOM 190 CD ARG A 13 16.494 -3.916 7.259 1.00 0.65 C ATOM 191 NE ARG A 13 15.777 -3.959 8.534 1.00 1.36 N ATOM 192 CZ ARG A 13 15.898 -4.945 9.424 1.00 1.54 C ATOM 193 NH1 ARG A 13 16.789 -5.911 9.239 1.00 1.16 N ATOM 194 NH2 ARG A 13 15.138 -4.957 10.513 1.00 2.57 N ATOM 0 H ARG A 13 15.573 -0.830 4.969 1.00 0.50 H new ATOM 0 HA ARG A 13 18.387 -0.547 5.531 1.00 0.57 H new ATOM 0 HB2 ARG A 13 16.731 -2.977 4.718 1.00 0.58 H new ATOM 0 HB3 ARG A 13 18.332 -3.013 5.429 1.00 0.58 H new ATOM 0 HG2 ARG A 13 17.446 -2.011 7.514 1.00 0.61 H new ATOM 0 HG3 ARG A 13 15.846 -1.922 6.805 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.908 -4.430 6.497 1.00 0.65 H new ATOM 0 HD3 ARG A 13 17.436 -4.457 7.355 1.00 0.65 H new ATOM 0 HE ARG A 13 15.147 -3.188 8.755 1.00 1.36 H new ATOM 0 HH11 ARG A 13 17.386 -5.902 8.412 1.00 1.16 H new ATOM 0 HH12 ARG A 13 16.876 -6.662 9.924 1.00 1.16 H new ATOM 0 HH21 ARG A 13 14.460 -4.211 10.670 1.00 2.57 H new ATOM 0 HH22 ARG A 13 15.232 -5.712 11.192 1.00 2.57 H new ATOM 208 N PHE A 14 17.392 -1.336 2.494 1.00 0.58 N ATOM 209 CA PHE A 14 17.880 -1.601 1.146 1.00 0.68 C ATOM 210 C PHE A 14 17.782 -0.383 0.232 1.00 0.75 C ATOM 211 O PHE A 14 18.761 -0.002 -0.409 1.00 0.96 O ATOM 212 CB PHE A 14 17.112 -2.775 0.527 1.00 0.68 C ATOM 213 CG PHE A 14 17.309 -4.073 1.255 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.371 -4.902 0.942 1.00 0.88 C ATOM 215 CD2 PHE A 14 16.431 -4.463 2.254 1.00 0.69 C ATOM 216 CE1 PHE A 14 18.558 -6.095 1.611 1.00 0.98 C ATOM 217 CE2 PHE A 14 16.611 -5.655 2.927 1.00 0.79 C ATOM 218 CZ PHE A 14 17.676 -6.473 2.605 1.00 0.93 C ATOM 0 H PHE A 14 16.377 -1.349 2.592 1.00 0.58 H new ATOM 0 HA PHE A 14 18.937 -1.853 1.238 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.049 -2.535 0.511 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.427 -2.898 -0.509 1.00 0.68 H new ATOM 0 HD1 PHE A 14 19.063 -4.612 0.165 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.596 -3.827 2.509 1.00 0.69 H new ATOM 0 HE1 PHE A 14 19.393 -6.732 1.358 1.00 0.98 H new ATOM 0 HE2 PHE A 14 15.920 -5.947 3.704 1.00 0.79 H new ATOM 0 HZ PHE A 14 17.819 -7.406 3.129 1.00 0.93 H new ATOM 228 N SER A 15 16.612 0.233 0.178 1.00 0.69 N ATOM 229 CA SER A 15 16.331 1.239 -0.840 1.00 0.83 C ATOM 230 C SER A 15 16.968 2.596 -0.524 1.00 0.91 C ATOM 231 O SER A 15 17.682 3.159 -1.352 1.00 1.07 O ATOM 232 CB SER A 15 14.815 1.390 -1.004 1.00 0.81 C ATOM 233 OG SER A 15 14.494 2.262 -2.071 1.00 1.37 O ATOM 0 H SER A 15 15.842 0.057 0.824 1.00 0.69 H new ATOM 0 HA SER A 15 16.777 0.894 -1.773 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.368 0.412 -1.185 1.00 0.81 H new ATOM 0 HB3 SER A 15 14.384 1.772 -0.078 1.00 0.81 H new ATOM 0 HG SER A 15 13.735 2.827 -1.815 1.00 1.37 H new ATOM 239 N LEU A 16 16.729 3.110 0.672 1.00 0.84 N ATOM 240 CA LEU A 16 17.126 4.475 0.999 1.00 0.95 C ATOM 241 C LEU A 16 18.378 4.521 1.866 1.00 0.98 C ATOM 242 O LEU A 16 19.059 5.547 1.916 1.00 1.12 O ATOM 243 CB LEU A 16 15.984 5.202 1.711 1.00 0.94 C ATOM 244 CG LEU A 16 14.675 5.273 0.925 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.577 5.870 1.784 1.00 0.95 C ATOM 246 CD2 LEU A 16 14.858 6.088 -0.347 1.00 1.22 C ATOM 0 H LEU A 16 16.265 2.609 1.430 1.00 0.84 H new ATOM 0 HA LEU A 16 17.355 4.975 0.058 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.793 4.704 2.662 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.307 6.217 1.942 1.00 0.94 H new ATOM 0 HG LEU A 16 14.385 4.260 0.644 1.00 0.99 H new ATOM 0 HD11 LEU A 16 12.651 5.914 1.211 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.428 5.249 2.667 1.00 0.95 H new ATOM 0 HD13 LEU A 16 13.862 6.876 2.091 1.00 0.95 H new ATOM 0 HD21 LEU A 16 13.915 6.127 -0.893 1.00 1.22 H new ATOM 0 HD22 LEU A 16 15.170 7.100 -0.089 1.00 1.22 H new ATOM 0 HD23 LEU A 16 15.620 5.622 -0.972 1.00 1.22 H new ATOM 258 N LYS A 17 18.665 3.409 2.551 1.00 0.88 N ATOM 259 CA LYS A 17 19.811 3.316 3.465 1.00 0.96 C ATOM 260 C LYS A 17 19.590 4.183 4.701 1.00 1.01 C ATOM 261 O LYS A 17 20.517 4.460 5.459 1.00 1.13 O ATOM 262 CB LYS A 17 21.112 3.713 2.761 1.00 1.12 C ATOM 263 CG LYS A 17 21.584 2.695 1.737 1.00 1.09 C ATOM 264 CD LYS A 17 22.060 1.420 2.410 1.00 1.00 C ATOM 265 CE LYS A 17 22.465 0.366 1.398 1.00 1.08 C ATOM 266 NZ LYS A 17 23.150 -0.778 2.052 1.00 1.20 N ATOM 0 H LYS A 17 18.114 2.553 2.489 1.00 0.88 H new ATOM 0 HA LYS A 17 19.899 2.277 3.782 1.00 0.96 H new ATOM 0 HB2 LYS A 17 20.969 4.674 2.267 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.892 3.852 3.509 1.00 1.12 H new ATOM 0 HG2 LYS A 17 20.771 2.464 1.048 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.393 3.120 1.144 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.907 1.646 3.058 1.00 1.00 H new ATOM 0 HD3 LYS A 17 21.267 1.027 3.046 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.581 0.009 0.869 1.00 1.08 H new ATOM 0 HE3 LYS A 17 23.125 0.810 0.653 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 23.414 -1.481 1.333 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 24.006 -0.439 2.536 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 22.510 -1.215 2.746 1.00 1.20 H new ATOM 280 N ALA A 18 18.347 4.590 4.894 1.00 0.97 N ATOM 281 CA ALA A 18 17.957 5.408 6.032 1.00 1.05 C ATOM 282 C ALA A 18 16.562 5.014 6.492 1.00 0.85 C ATOM 283 O ALA A 18 15.733 4.607 5.676 1.00 0.93 O ATOM 284 CB ALA A 18 17.995 6.880 5.652 1.00 1.21 C ATOM 0 H ALA A 18 17.577 4.362 4.265 1.00 0.97 H new ATOM 0 HA ALA A 18 18.657 5.244 6.851 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.702 7.485 6.510 1.00 1.21 H new ATOM 0 HB2 ALA A 18 19.005 7.151 5.346 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.305 7.061 4.828 1.00 1.21 H new ATOM 290 N LYS A 19 16.306 5.135 7.788 1.00 0.94 N ATOM 291 CA LYS A 19 15.018 4.746 8.350 1.00 0.87 C ATOM 292 C LYS A 19 13.936 5.741 7.948 1.00 0.66 C ATOM 293 O LYS A 19 14.138 6.954 8.023 1.00 0.72 O ATOM 294 CB LYS A 19 15.098 4.628 9.880 1.00 1.18 C ATOM 295 CG LYS A 19 13.740 4.445 10.544 1.00 1.36 C ATOM 296 CD LYS A 19 13.868 4.070 12.010 1.00 1.62 C ATOM 297 CE LYS A 19 14.313 2.625 12.193 1.00 1.96 C ATOM 298 NZ LYS A 19 13.304 1.656 11.679 1.00 2.32 N ATOM 0 H LYS A 19 16.972 5.499 8.470 1.00 0.94 H new ATOM 0 HA LYS A 19 14.756 3.767 7.948 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.737 3.784 10.139 1.00 1.18 H new ATOM 0 HB3 LYS A 19 15.573 5.523 10.282 1.00 1.18 H new ATOM 0 HG2 LYS A 19 13.166 5.367 10.455 1.00 1.36 H new ATOM 0 HG3 LYS A 19 13.182 3.670 10.019 1.00 1.36 H new ATOM 0 HD2 LYS A 19 14.585 4.734 12.493 1.00 1.62 H new ATOM 0 HD3 LYS A 19 12.910 4.220 12.507 1.00 1.62 H new ATOM 0 HE2 LYS A 19 15.260 2.470 11.676 1.00 1.96 H new ATOM 0 HE3 LYS A 19 14.493 2.433 13.251 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 13.088 0.956 12.417 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 12.435 2.165 11.419 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 13.684 1.170 10.842 1.00 2.32 H new ATOM 312 N ILE A 20 12.796 5.214 7.521 1.00 0.55 N ATOM 313 CA ILE A 20 11.692 6.037 7.057 1.00 0.46 C ATOM 314 C ILE A 20 10.894 6.602 8.226 1.00 0.53 C ATOM 315 O ILE A 20 10.618 5.906 9.204 1.00 0.66 O ATOM 316 CB ILE A 20 10.733 5.246 6.138 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.468 4.740 4.887 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.522 6.091 5.755 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.548 4.484 3.717 1.00 0.77 C ATOM 0 H ILE A 20 12.613 4.211 7.487 1.00 0.55 H new ATOM 0 HA ILE A 20 12.136 6.854 6.489 1.00 0.46 H new ATOM 0 HB ILE A 20 10.374 4.379 6.692 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.221 5.472 4.595 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.997 3.819 5.132 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.863 5.511 5.108 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.982 6.382 6.656 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.854 6.985 5.227 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.131 4.129 2.867 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.811 3.730 3.992 1.00 0.77 H new ATOM 0 HD13 ILE A 20 10.038 5.408 3.446 1.00 0.77 H new ATOM 331 N ASN A 21 10.534 7.866 8.110 1.00 0.51 N ATOM 332 CA ASN A 21 9.697 8.538 9.087 1.00 0.59 C ATOM 333 C ASN A 21 8.905 9.639 8.387 1.00 0.67 C ATOM 334 O ASN A 21 8.728 9.587 7.170 1.00 0.69 O ATOM 335 CB ASN A 21 10.544 9.099 10.239 1.00 0.63 C ATOM 336 CG ASN A 21 11.491 10.205 9.812 1.00 1.26 C ATOM 337 OD1 ASN A 21 11.902 10.285 8.655 1.00 2.19 O ATOM 338 ND2 ASN A 21 11.855 11.061 10.754 1.00 1.85 N ATOM 0 H ASN A 21 10.816 8.460 7.330 1.00 0.51 H new ATOM 0 HA ASN A 21 8.999 7.824 9.524 1.00 0.59 H new ATOM 0 HB2 ASN A 21 9.880 9.480 11.015 1.00 0.63 H new ATOM 0 HB3 ASN A 21 11.122 8.288 10.683 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.498 11.821 10.532 1.00 1.85 H new ATOM 0 HD22 ASN A 21 11.492 10.961 11.702 1.00 1.85 H new ATOM 345 N ASN A 22 8.439 10.631 9.123 1.00 0.78 N ATOM 346 CA ASN A 22 7.615 11.679 8.530 1.00 0.97 C ATOM 347 C ASN A 22 8.440 12.628 7.652 1.00 0.99 C ATOM 348 O ASN A 22 7.899 13.281 6.754 1.00 1.18 O ATOM 349 CB ASN A 22 6.870 12.471 9.612 1.00 1.13 C ATOM 350 CG ASN A 22 7.793 13.235 10.547 1.00 1.38 C ATOM 351 OD1 ASN A 22 8.900 12.792 10.863 1.00 1.80 O ATOM 352 ND2 ASN A 22 7.333 14.388 11.001 1.00 2.01 N ATOM 0 H ASN A 22 8.612 10.737 10.123 1.00 0.78 H new ATOM 0 HA ASN A 22 6.884 11.185 7.891 1.00 0.97 H new ATOM 0 HB2 ASN A 22 6.189 13.174 9.132 1.00 1.13 H new ATOM 0 HB3 ASN A 22 6.259 11.784 10.198 1.00 1.13 H new ATOM 0 HD21 ASN A 22 7.900 14.948 11.638 1.00 2.01 H new ATOM 0 HD22 ASN A 22 6.411 14.718 10.714 1.00 2.01 H new ATOM 359 N THR A 23 9.748 12.693 7.891 1.00 0.90 N ATOM 360 CA THR A 23 10.600 13.617 7.154 1.00 1.04 C ATOM 361 C THR A 23 11.137 12.997 5.863 1.00 0.91 C ATOM 362 O THR A 23 11.428 13.714 4.904 1.00 0.91 O ATOM 363 CB THR A 23 11.775 14.130 8.012 1.00 1.27 C ATOM 364 OG1 THR A 23 12.495 13.029 8.574 1.00 1.39 O ATOM 365 CG2 THR A 23 11.276 15.039 9.127 1.00 1.78 C ATOM 0 H THR A 23 10.235 12.122 8.582 1.00 0.90 H new ATOM 0 HA THR A 23 9.967 14.465 6.893 1.00 1.04 H new ATOM 0 HB THR A 23 12.440 14.703 7.366 1.00 1.27 H new ATOM 0 HG1 THR A 23 12.082 12.188 8.288 1.00 1.39 H new ATOM 0 HG21 THR A 23 12.123 15.388 9.718 1.00 1.78 H new ATOM 0 HG22 THR A 23 10.758 15.895 8.694 1.00 1.78 H new ATOM 0 HG23 THR A 23 10.590 14.486 9.768 1.00 1.78 H new ATOM 373 N THR A 24 11.273 11.671 5.826 1.00 0.92 N ATOM 374 CA THR A 24 11.704 10.998 4.609 1.00 0.90 C ATOM 375 C THR A 24 10.645 11.154 3.525 1.00 0.80 C ATOM 376 O THR A 24 9.496 10.751 3.706 1.00 1.03 O ATOM 377 CB THR A 24 11.981 9.509 4.864 1.00 1.18 C ATOM 378 OG1 THR A 24 10.904 8.941 5.611 1.00 1.68 O ATOM 379 CG2 THR A 24 13.291 9.321 5.618 1.00 1.42 C ATOM 0 H THR A 24 11.093 11.052 6.616 1.00 0.92 H new ATOM 0 HA THR A 24 12.633 11.462 4.276 1.00 0.90 H new ATOM 0 HB THR A 24 12.065 9.003 3.902 1.00 1.18 H new ATOM 0 HG1 THR A 24 10.071 9.406 5.389 1.00 1.68 H new ATOM 0 HG21 THR A 24 13.465 8.258 5.786 1.00 1.42 H new ATOM 0 HG22 THR A 24 14.111 9.734 5.031 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.236 9.836 6.577 1.00 1.42 H new ATOM 387 N ASN A 25 11.030 11.751 2.409 1.00 0.71 N ATOM 388 CA ASN A 25 10.077 12.082 1.363 1.00 0.76 C ATOM 389 C ASN A 25 9.884 10.934 0.387 1.00 0.77 C ATOM 390 O ASN A 25 10.607 10.803 -0.605 1.00 0.87 O ATOM 391 CB ASN A 25 10.502 13.345 0.619 1.00 0.90 C ATOM 392 CG ASN A 25 10.208 14.601 1.414 1.00 1.23 C ATOM 393 OD1 ASN A 25 11.059 15.111 2.145 1.00 1.82 O ATOM 394 ND2 ASN A 25 8.989 15.099 1.286 1.00 1.98 N ATOM 0 H ASN A 25 11.994 12.016 2.204 1.00 0.71 H new ATOM 0 HA ASN A 25 9.119 12.267 1.850 1.00 0.76 H new ATOM 0 HB2 ASN A 25 11.569 13.295 0.402 1.00 0.90 H new ATOM 0 HB3 ASN A 25 9.984 13.393 -0.339 1.00 0.90 H new ATOM 0 HD21 ASN A 25 8.723 15.937 1.804 1.00 1.98 H new ATOM 0 HD22 ASN A 25 8.315 14.645 0.670 1.00 1.98 H new ATOM 401 N LEU A 26 8.900 10.099 0.680 1.00 0.79 N ATOM 402 CA LEU A 26 8.531 9.015 -0.212 1.00 0.82 C ATOM 403 C LEU A 26 7.705 9.554 -1.370 1.00 0.74 C ATOM 404 O LEU A 26 7.609 8.925 -2.413 1.00 0.74 O ATOM 405 CB LEU A 26 7.741 7.929 0.529 1.00 1.09 C ATOM 406 CG LEU A 26 8.570 6.958 1.376 1.00 1.55 C ATOM 407 CD1 LEU A 26 9.223 7.677 2.544 1.00 2.31 C ATOM 408 CD2 LEU A 26 7.697 5.819 1.876 1.00 2.48 C ATOM 0 H LEU A 26 8.342 10.153 1.532 1.00 0.79 H new ATOM 0 HA LEU A 26 9.448 8.567 -0.596 1.00 0.82 H new ATOM 0 HB2 LEU A 26 7.013 8.416 1.178 1.00 1.09 H new ATOM 0 HB3 LEU A 26 7.179 7.352 -0.205 1.00 1.09 H new ATOM 0 HG LEU A 26 9.360 6.546 0.748 1.00 1.55 H new ATOM 0 HD11 LEU A 26 9.806 6.966 3.129 1.00 2.31 H new ATOM 0 HD12 LEU A 26 9.880 8.461 2.167 1.00 2.31 H new ATOM 0 HD13 LEU A 26 8.453 8.121 3.175 1.00 2.31 H new ATOM 0 HD21 LEU A 26 8.298 5.136 2.476 1.00 2.48 H new ATOM 0 HD22 LEU A 26 6.888 6.221 2.485 1.00 2.48 H new ATOM 0 HD23 LEU A 26 7.278 5.281 1.025 1.00 2.48 H new ATOM 420 N ASP A 27 7.137 10.734 -1.187 1.00 0.78 N ATOM 421 CA ASP A 27 6.276 11.339 -2.197 1.00 0.89 C ATOM 422 C ASP A 27 7.072 11.703 -3.448 1.00 0.81 C ATOM 423 O ASP A 27 6.593 11.542 -4.572 1.00 0.99 O ATOM 424 CB ASP A 27 5.572 12.580 -1.632 1.00 1.04 C ATOM 425 CG ASP A 27 6.532 13.675 -1.207 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.391 13.413 -0.340 1.00 1.43 O ATOM 427 OD2 ASP A 27 6.435 14.801 -1.740 1.00 2.18 O ATOM 0 H ASP A 27 7.256 11.297 -0.345 1.00 0.78 H new ATOM 0 HA ASP A 27 5.519 10.606 -2.477 1.00 0.89 H new ATOM 0 HB2 ASP A 27 4.890 12.976 -2.385 1.00 1.04 H new ATOM 0 HB3 ASP A 27 4.965 12.286 -0.776 1.00 1.04 H new ATOM 432 N TYR A 28 8.293 12.177 -3.253 1.00 0.70 N ATOM 433 CA TYR A 28 9.149 12.555 -4.370 1.00 0.82 C ATOM 434 C TYR A 28 9.870 11.347 -4.966 1.00 0.69 C ATOM 435 O TYR A 28 10.378 11.409 -6.085 1.00 0.83 O ATOM 436 CB TYR A 28 10.182 13.595 -3.927 1.00 1.02 C ATOM 437 CG TYR A 28 9.580 14.875 -3.385 1.00 1.16 C ATOM 438 CD1 TYR A 28 8.679 15.608 -4.142 1.00 1.32 C ATOM 439 CD2 TYR A 28 9.904 15.342 -2.119 1.00 1.24 C ATOM 440 CE1 TYR A 28 8.120 16.773 -3.654 1.00 1.48 C ATOM 441 CE2 TYR A 28 9.348 16.507 -1.624 1.00 1.38 C ATOM 442 CZ TYR A 28 8.489 17.229 -2.385 1.00 1.47 C ATOM 443 OH TYR A 28 7.902 18.382 -1.911 1.00 1.64 O ATOM 0 H TYR A 28 8.714 12.309 -2.334 1.00 0.70 H new ATOM 0 HA TYR A 28 8.504 12.983 -5.138 1.00 0.82 H new ATOM 0 HB2 TYR A 28 10.820 13.154 -3.161 1.00 1.02 H new ATOM 0 HB3 TYR A 28 10.823 13.838 -4.774 1.00 1.02 H new ATOM 0 HD1 TYR A 28 8.410 15.263 -5.129 1.00 1.32 H new ATOM 0 HD2 TYR A 28 10.602 14.786 -1.510 1.00 1.24 H new ATOM 0 HE1 TYR A 28 7.406 17.326 -4.246 1.00 1.48 H new ATOM 0 HE2 TYR A 28 9.599 16.843 -0.629 1.00 1.38 H new ATOM 0 HH TYR A 28 8.250 18.582 -1.017 1.00 1.64 H new ATOM 453 N SER A 29 9.917 10.247 -4.227 1.00 0.52 N ATOM 454 CA SER A 29 10.740 9.111 -4.630 1.00 0.50 C ATOM 455 C SER A 29 9.911 7.894 -5.050 1.00 0.43 C ATOM 456 O SER A 29 10.386 7.049 -5.804 1.00 0.43 O ATOM 457 CB SER A 29 11.665 8.723 -3.479 1.00 0.53 C ATOM 458 OG SER A 29 12.202 9.876 -2.842 1.00 0.61 O ATOM 0 H SER A 29 9.403 10.116 -3.356 1.00 0.52 H new ATOM 0 HA SER A 29 11.316 9.423 -5.501 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.115 8.125 -2.752 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.477 8.100 -3.855 1.00 0.53 H new ATOM 0 HG SER A 29 11.612 10.150 -2.109 1.00 0.61 H new ATOM 464 N ARG A 30 8.674 7.817 -4.574 1.00 0.42 N ATOM 465 CA ARG A 30 7.853 6.612 -4.714 1.00 0.40 C ATOM 466 C ARG A 30 7.819 6.098 -6.157 1.00 0.38 C ATOM 467 O ARG A 30 7.975 4.902 -6.389 1.00 0.39 O ATOM 468 CB ARG A 30 6.432 6.890 -4.212 1.00 0.43 C ATOM 469 CG ARG A 30 5.589 5.652 -3.953 1.00 0.49 C ATOM 470 CD ARG A 30 6.052 4.887 -2.724 1.00 0.73 C ATOM 471 NE ARG A 30 7.132 3.945 -3.022 1.00 1.07 N ATOM 472 CZ ARG A 30 7.730 3.190 -2.101 1.00 1.18 C ATOM 473 NH1 ARG A 30 7.404 3.318 -0.818 1.00 1.25 N ATOM 474 NH2 ARG A 30 8.657 2.307 -2.457 1.00 1.86 N ATOM 0 H ARG A 30 8.210 8.581 -4.082 1.00 0.42 H new ATOM 0 HA ARG A 30 8.308 5.829 -4.107 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.495 7.468 -3.290 1.00 0.43 H new ATOM 0 HB3 ARG A 30 5.919 7.514 -4.944 1.00 0.43 H new ATOM 0 HG2 ARG A 30 4.547 5.945 -3.825 1.00 0.49 H new ATOM 0 HG3 ARG A 30 5.632 4.997 -4.823 1.00 0.49 H new ATOM 0 HD2 ARG A 30 6.390 5.594 -1.966 1.00 0.73 H new ATOM 0 HD3 ARG A 30 5.208 4.344 -2.299 1.00 0.73 H new ATOM 0 HE ARG A 30 7.445 3.862 -3.989 1.00 1.07 H new ATOM 0 HH11 ARG A 30 6.695 3.995 -0.537 1.00 1.25 H new ATOM 0 HH12 ARG A 30 7.863 2.739 -0.115 1.00 1.25 H new ATOM 0 HH21 ARG A 30 8.914 2.205 -3.439 1.00 1.86 H new ATOM 0 HH22 ARG A 30 9.112 1.731 -1.748 1.00 1.86 H new ATOM 488 N ARG A 31 7.673 7.003 -7.121 1.00 0.39 N ATOM 489 CA ARG A 31 7.508 6.603 -8.521 1.00 0.43 C ATOM 490 C ARG A 31 8.827 6.137 -9.157 1.00 0.42 C ATOM 491 O ARG A 31 8.820 5.498 -10.204 1.00 0.51 O ATOM 492 CB ARG A 31 6.884 7.729 -9.360 1.00 0.55 C ATOM 493 CG ARG A 31 7.791 8.925 -9.624 1.00 1.16 C ATOM 494 CD ARG A 31 7.937 9.824 -8.409 1.00 1.92 C ATOM 495 NE ARG A 31 8.585 11.088 -8.751 1.00 2.67 N ATOM 496 CZ ARG A 31 8.218 12.273 -8.260 1.00 3.57 C ATOM 497 NH1 ARG A 31 7.185 12.361 -7.429 1.00 3.96 N ATOM 498 NH2 ARG A 31 8.875 13.369 -8.617 1.00 4.35 N ATOM 0 H ARG A 31 7.665 8.011 -6.964 1.00 0.39 H new ATOM 0 HA ARG A 31 6.825 5.754 -8.516 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.570 7.314 -10.318 1.00 0.55 H new ATOM 0 HB3 ARG A 31 5.985 8.081 -8.854 1.00 0.55 H new ATOM 0 HG2 ARG A 31 8.775 8.570 -9.929 1.00 1.16 H new ATOM 0 HG3 ARG A 31 7.389 9.505 -10.455 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.954 10.022 -7.982 1.00 1.92 H new ATOM 0 HD3 ARG A 31 8.520 9.311 -7.644 1.00 1.92 H new ATOM 0 HE ARG A 31 9.367 11.063 -9.406 1.00 2.67 H new ATOM 0 HH11 ARG A 31 6.670 11.521 -7.165 1.00 3.96 H new ATOM 0 HH12 ARG A 31 6.907 13.268 -7.055 1.00 3.96 H new ATOM 0 HH21 ARG A 31 9.659 13.305 -9.266 1.00 4.35 H new ATOM 0 HH22 ARG A 31 8.596 14.276 -8.243 1.00 4.35 H new ATOM 512 N PHE A 32 9.958 6.446 -8.536 1.00 0.39 N ATOM 513 CA PHE A 32 11.245 5.966 -9.047 1.00 0.42 C ATOM 514 C PHE A 32 11.645 4.720 -8.285 1.00 0.40 C ATOM 515 O PHE A 32 12.592 4.021 -8.639 1.00 0.47 O ATOM 516 CB PHE A 32 12.318 7.075 -8.970 1.00 0.53 C ATOM 517 CG PHE A 32 13.325 6.952 -7.855 1.00 1.08 C ATOM 518 CD1 PHE A 32 14.478 6.195 -8.008 1.00 2.08 C ATOM 519 CD2 PHE A 32 13.128 7.621 -6.663 1.00 1.15 C ATOM 520 CE1 PHE A 32 15.407 6.107 -6.987 1.00 3.15 C ATOM 521 CE2 PHE A 32 14.047 7.536 -5.642 1.00 2.18 C ATOM 522 CZ PHE A 32 15.190 6.778 -5.801 1.00 3.19 C ATOM 0 H PHE A 32 10.016 7.016 -7.692 1.00 0.39 H new ATOM 0 HA PHE A 32 11.151 5.706 -10.101 1.00 0.42 H new ATOM 0 HB2 PHE A 32 12.857 7.096 -9.917 1.00 0.53 H new ATOM 0 HB3 PHE A 32 11.812 8.035 -8.870 1.00 0.53 H new ATOM 0 HD1 PHE A 32 14.652 5.669 -8.935 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.239 8.220 -6.530 1.00 1.15 H new ATOM 0 HE1 PHE A 32 16.300 5.514 -7.118 1.00 3.15 H new ATOM 0 HE2 PHE A 32 13.874 8.063 -4.715 1.00 2.18 H new ATOM 0 HZ PHE A 32 15.911 6.711 -5.000 1.00 3.19 H new ATOM 532 N LEU A 33 10.876 4.427 -7.253 1.00 0.34 N ATOM 533 CA LEU A 33 11.007 3.175 -6.548 1.00 0.34 C ATOM 534 C LEU A 33 10.131 2.128 -7.233 1.00 0.32 C ATOM 535 O LEU A 33 10.232 0.935 -6.950 1.00 0.37 O ATOM 536 CB LEU A 33 10.625 3.358 -5.079 1.00 0.34 C ATOM 537 CG LEU A 33 11.457 4.407 -4.333 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.972 4.572 -2.902 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.931 4.032 -4.354 1.00 0.47 C ATOM 0 H LEU A 33 10.152 5.045 -6.886 1.00 0.34 H new ATOM 0 HA LEU A 33 12.042 2.833 -6.575 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.573 3.639 -5.022 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.727 2.401 -4.568 1.00 0.34 H new ATOM 0 HG LEU A 33 11.333 5.361 -4.845 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.580 5.322 -2.396 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.930 4.892 -2.906 1.00 0.39 H new ATOM 0 HD13 LEU A 33 11.058 3.621 -2.377 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.506 4.788 -3.820 1.00 0.47 H new ATOM 0 HD22 LEU A 33 13.067 3.064 -3.871 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.277 3.975 -5.386 1.00 0.47 H new ATOM 551 N GLU A 34 9.275 2.600 -8.148 1.00 0.30 N ATOM 552 CA GLU A 34 8.495 1.720 -9.017 1.00 0.29 C ATOM 553 C GLU A 34 9.365 0.666 -9.691 1.00 0.32 C ATOM 554 O GLU A 34 9.053 -0.519 -9.614 1.00 0.32 O ATOM 555 CB GLU A 34 7.776 2.510 -10.106 1.00 0.31 C ATOM 556 CG GLU A 34 6.400 2.978 -9.721 1.00 0.35 C ATOM 557 CD GLU A 34 5.690 3.634 -10.880 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.891 4.844 -11.096 1.00 0.67 O ATOM 559 OE2 GLU A 34 4.942 2.935 -11.597 1.00 0.82 O ATOM 0 H GLU A 34 9.107 3.594 -8.304 1.00 0.30 H new ATOM 0 HA GLU A 34 7.768 1.228 -8.371 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.382 3.377 -10.370 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.700 1.890 -10.999 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.813 2.131 -9.367 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.474 3.683 -8.893 1.00 0.35 H new ATOM 566 N PRO A 35 10.467 1.067 -10.374 1.00 0.35 N ATOM 567 CA PRO A 35 11.342 0.113 -11.046 1.00 0.37 C ATOM 568 C PRO A 35 11.832 -1.000 -10.115 1.00 0.36 C ATOM 569 O PRO A 35 12.045 -2.133 -10.543 1.00 0.38 O ATOM 570 CB PRO A 35 12.519 0.966 -11.522 1.00 0.45 C ATOM 571 CG PRO A 35 11.954 2.330 -11.672 1.00 0.51 C ATOM 572 CD PRO A 35 10.912 2.459 -10.602 1.00 0.38 C ATOM 0 HA PRO A 35 10.821 -0.403 -11.852 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.336 0.952 -10.801 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.920 0.597 -12.466 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.728 3.089 -11.558 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.518 2.466 -12.662 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.323 2.901 -9.695 1.00 0.38 H new ATOM 0 HD3 PRO A 35 10.087 3.096 -10.922 1.00 0.38 H new ATOM 580 N PHE A 36 11.985 -0.671 -8.839 1.00 0.35 N ATOM 581 CA PHE A 36 12.460 -1.622 -7.841 1.00 0.38 C ATOM 582 C PHE A 36 11.312 -2.495 -7.337 1.00 0.34 C ATOM 583 O PHE A 36 11.525 -3.590 -6.812 1.00 0.43 O ATOM 584 CB PHE A 36 13.108 -0.857 -6.680 1.00 0.46 C ATOM 585 CG PHE A 36 13.821 -1.727 -5.679 1.00 0.52 C ATOM 586 CD1 PHE A 36 15.083 -2.228 -5.948 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.219 -2.053 -4.475 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.733 -3.033 -5.033 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.864 -2.858 -3.556 1.00 0.72 C ATOM 590 CZ PHE A 36 15.149 -3.320 -3.828 1.00 0.70 C ATOM 0 H PHE A 36 11.785 0.258 -8.467 1.00 0.35 H new ATOM 0 HA PHE A 36 13.202 -2.278 -8.297 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.818 -0.137 -7.087 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.337 -0.286 -6.162 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.565 -1.987 -6.884 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.233 -1.673 -4.252 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.706 -3.438 -5.269 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.374 -3.127 -2.632 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.683 -3.902 -3.092 1.00 0.70 H new ATOM 600 N LEU A 37 10.095 -2.002 -7.516 1.00 0.27 N ATOM 601 CA LEU A 37 8.899 -2.665 -7.006 1.00 0.26 C ATOM 602 C LEU A 37 8.178 -3.451 -8.098 1.00 0.25 C ATOM 603 O LEU A 37 7.196 -4.139 -7.829 1.00 0.30 O ATOM 604 CB LEU A 37 7.949 -1.621 -6.418 1.00 0.30 C ATOM 605 CG LEU A 37 8.185 -1.232 -4.953 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.666 -1.105 -4.627 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.488 0.079 -4.667 1.00 0.99 C ATOM 0 H LEU A 37 9.907 -1.134 -8.017 1.00 0.27 H new ATOM 0 HA LEU A 37 9.210 -3.370 -6.235 1.00 0.26 H new ATOM 0 HB2 LEU A 37 8.015 -0.719 -7.026 1.00 0.30 H new ATOM 0 HB3 LEU A 37 6.930 -1.995 -6.512 1.00 0.30 H new ATOM 0 HG LEU A 37 7.777 -2.025 -4.326 1.00 0.39 H new ATOM 0 HD11 LEU A 37 9.786 -0.828 -3.580 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.162 -2.058 -4.809 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.113 -0.337 -5.258 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.653 0.359 -3.627 1.00 0.99 H new ATOM 0 HD22 LEU A 37 7.889 0.854 -5.320 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.419 -0.030 -4.848 1.00 0.99 H new ATOM 619 N ARG A 38 8.651 -3.340 -9.330 1.00 0.24 N ATOM 620 CA ARG A 38 8.008 -4.015 -10.448 1.00 0.27 C ATOM 621 C ARG A 38 8.174 -5.518 -10.371 1.00 0.25 C ATOM 622 O ARG A 38 9.293 -6.036 -10.390 1.00 0.36 O ATOM 623 CB ARG A 38 8.551 -3.513 -11.778 1.00 0.33 C ATOM 624 CG ARG A 38 8.013 -2.151 -12.150 1.00 1.01 C ATOM 625 CD ARG A 38 8.650 -1.613 -13.420 1.00 1.12 C ATOM 626 NE ARG A 38 8.171 -0.269 -13.734 1.00 1.86 N ATOM 627 CZ ARG A 38 8.903 0.676 -14.314 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.159 0.436 -14.670 1.00 2.26 N ATOM 629 NH2 ARG A 38 8.370 1.870 -14.531 1.00 3.39 N ATOM 0 H ARG A 38 9.474 -2.792 -9.581 1.00 0.24 H new ATOM 0 HA ARG A 38 6.945 -3.782 -10.384 1.00 0.27 H new ATOM 0 HB2 ARG A 38 9.639 -3.468 -11.728 1.00 0.33 H new ATOM 0 HB3 ARG A 38 8.297 -4.226 -12.562 1.00 0.33 H new ATOM 0 HG2 ARG A 38 6.933 -2.212 -12.284 1.00 1.01 H new ATOM 0 HG3 ARG A 38 8.193 -1.454 -11.331 1.00 1.01 H new ATOM 0 HD2 ARG A 38 9.734 -1.596 -13.305 1.00 1.12 H new ATOM 0 HD3 ARG A 38 8.428 -2.282 -14.251 1.00 1.12 H new ATOM 0 HE ARG A 38 7.207 -0.040 -13.491 1.00 1.86 H new ATOM 0 HH11 ARG A 38 10.571 -0.481 -14.499 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.712 1.169 -15.115 1.00 2.26 H new ATOM 0 HH21 ARG A 38 7.406 2.056 -14.253 1.00 3.39 H new ATOM 0 HH22 ARG A 38 8.923 2.602 -14.976 1.00 3.39 H new ATOM 643 N GLY A 39 7.051 -6.210 -10.278 1.00 0.19 N ATOM 644 CA GLY A 39 7.066 -7.646 -10.353 1.00 0.23 C ATOM 645 C GLY A 39 7.344 -8.307 -9.019 1.00 0.22 C ATOM 646 O GLY A 39 7.901 -9.402 -8.971 1.00 0.30 O ATOM 0 H GLY A 39 6.127 -5.797 -10.151 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.105 -7.994 -10.731 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.824 -7.959 -11.072 1.00 0.23 H new ATOM 650 N ILE A 40 6.943 -7.661 -7.931 1.00 0.18 N ATOM 651 CA ILE A 40 7.220 -8.192 -6.592 1.00 0.19 C ATOM 652 C ILE A 40 5.966 -8.805 -5.981 1.00 0.20 C ATOM 653 O ILE A 40 4.882 -8.686 -6.533 1.00 0.23 O ATOM 654 CB ILE A 40 7.761 -7.112 -5.624 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.733 -5.991 -5.447 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.088 -6.556 -6.124 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.134 -4.939 -4.433 1.00 0.20 C ATOM 0 H ILE A 40 6.431 -6.779 -7.943 1.00 0.18 H new ATOM 0 HA ILE A 40 7.988 -8.954 -6.724 1.00 0.19 H new ATOM 0 HB ILE A 40 7.934 -7.575 -4.653 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.569 -5.508 -6.410 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.782 -6.429 -5.144 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.450 -5.799 -5.429 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.817 -7.363 -6.194 1.00 0.23 H new ATOM 0 HG23 ILE A 40 8.947 -6.108 -7.108 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.353 -4.181 -4.367 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.270 -5.407 -3.458 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.068 -4.471 -4.744 1.00 0.20 H new ATOM 669 N ASN A 41 6.119 -9.466 -4.843 1.00 0.25 N ATOM 670 CA ASN A 41 4.979 -10.015 -4.119 1.00 0.25 C ATOM 671 C ASN A 41 4.973 -9.482 -2.696 1.00 0.25 C ATOM 672 O ASN A 41 5.939 -9.667 -1.954 1.00 0.38 O ATOM 673 CB ASN A 41 5.013 -11.548 -4.089 1.00 0.39 C ATOM 674 CG ASN A 41 4.746 -12.179 -5.441 1.00 1.43 C ATOM 675 OD1 ASN A 41 5.668 -12.405 -6.222 1.00 2.29 O ATOM 676 ND2 ASN A 41 3.487 -12.479 -5.726 1.00 2.16 N ATOM 0 H ASN A 41 7.022 -9.636 -4.400 1.00 0.25 H new ATOM 0 HA ASN A 41 4.072 -9.707 -4.639 1.00 0.25 H new ATOM 0 HB2 ASN A 41 5.988 -11.876 -3.729 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.272 -11.907 -3.375 1.00 0.39 H new ATOM 0 HD21 ASN A 41 3.256 -12.913 -6.620 1.00 2.16 H new ATOM 0 HD22 ASN A 41 2.749 -12.276 -5.052 1.00 2.16 H new ATOM 683 N VAL A 42 3.892 -8.820 -2.315 1.00 0.19 N ATOM 684 CA VAL A 42 3.800 -8.237 -0.988 1.00 0.20 C ATOM 685 C VAL A 42 2.533 -8.695 -0.286 1.00 0.18 C ATOM 686 O VAL A 42 1.453 -8.704 -0.871 1.00 0.19 O ATOM 687 CB VAL A 42 3.832 -6.691 -1.033 1.00 0.25 C ATOM 688 CG1 VAL A 42 5.200 -6.191 -1.468 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.747 -6.154 -1.955 1.00 0.27 C ATOM 0 H VAL A 42 3.071 -8.674 -2.903 1.00 0.19 H new ATOM 0 HA VAL A 42 4.671 -8.581 -0.430 1.00 0.20 H new ATOM 0 HB VAL A 42 3.638 -6.321 -0.026 1.00 0.25 H new ATOM 0 HG11 VAL A 42 5.198 -5.101 -1.492 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.955 -6.537 -0.762 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.429 -6.576 -2.462 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.789 -5.065 -1.971 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.904 -6.538 -2.963 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.770 -6.474 -1.593 1.00 0.27 H new ATOM 699 N VAL A 43 2.672 -9.079 0.967 1.00 0.18 N ATOM 700 CA VAL A 43 1.537 -9.507 1.755 1.00 0.18 C ATOM 701 C VAL A 43 0.823 -8.294 2.321 1.00 0.19 C ATOM 702 O VAL A 43 1.407 -7.521 3.083 1.00 0.29 O ATOM 703 CB VAL A 43 1.962 -10.433 2.912 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.749 -10.907 3.700 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.758 -11.618 2.388 1.00 0.70 C ATOM 0 H VAL A 43 3.564 -9.103 1.462 1.00 0.18 H new ATOM 0 HA VAL A 43 0.870 -10.067 1.100 1.00 0.18 H new ATOM 0 HB VAL A 43 2.602 -9.862 3.585 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.074 -11.559 4.511 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.225 -10.046 4.115 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.078 -11.456 3.040 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.048 -12.259 3.221 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.145 -12.187 1.689 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.652 -11.259 1.878 1.00 0.70 H new ATOM 715 N TYR A 44 -0.423 -8.111 1.923 1.00 0.15 N ATOM 716 CA TYR A 44 -1.228 -7.020 2.429 1.00 0.19 C ATOM 717 C TYR A 44 -1.770 -7.375 3.802 1.00 0.21 C ATOM 718 O TYR A 44 -2.514 -8.344 3.957 1.00 0.29 O ATOM 719 CB TYR A 44 -2.379 -6.706 1.468 1.00 0.24 C ATOM 720 CG TYR A 44 -3.377 -5.719 2.028 1.00 0.29 C ATOM 721 CD1 TYR A 44 -3.062 -4.370 2.120 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.633 -6.133 2.448 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.973 -3.457 2.618 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.552 -5.227 2.944 1.00 0.44 C ATOM 725 CZ TYR A 44 -5.205 -3.912 3.089 1.00 0.42 C ATOM 726 OH TYR A 44 -6.130 -2.985 3.515 1.00 0.50 O ATOM 0 H TYR A 44 -0.899 -8.709 1.247 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.602 -6.132 2.511 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.969 -6.309 0.539 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.896 -7.632 1.218 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -2.090 -4.028 1.797 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.897 -7.179 2.387 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.734 -2.404 2.642 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.543 -5.557 3.217 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.727 -2.092 3.503 1.00 0.50 H new ATOM 736 N THR A 45 -1.378 -6.592 4.791 1.00 0.23 N ATOM 737 CA THR A 45 -1.808 -6.815 6.158 1.00 0.29 C ATOM 738 C THR A 45 -2.852 -5.779 6.574 1.00 0.27 C ATOM 739 O THR A 45 -2.534 -4.603 6.761 1.00 0.30 O ATOM 740 CB THR A 45 -0.609 -6.786 7.130 1.00 0.39 C ATOM 741 OG1 THR A 45 0.227 -5.647 6.860 1.00 1.25 O ATOM 742 CG2 THR A 45 0.213 -8.061 7.013 1.00 1.13 C ATOM 0 H THR A 45 -0.758 -5.791 4.671 1.00 0.23 H new ATOM 0 HA THR A 45 -2.262 -7.805 6.205 1.00 0.29 H new ATOM 0 HB THR A 45 -1.000 -6.712 8.145 1.00 0.39 H new ATOM 0 HG1 THR A 45 -0.331 -4.847 6.766 1.00 1.25 H new ATOM 0 HG21 THR A 45 1.052 -8.018 7.707 1.00 1.13 H new ATOM 0 HG22 THR A 45 -0.413 -8.921 7.253 1.00 1.13 H new ATOM 0 HG23 THR A 45 0.589 -8.159 5.995 1.00 1.13 H new ATOM 750 N PRO A 46 -4.119 -6.206 6.693 1.00 0.30 N ATOM 751 CA PRO A 46 -5.225 -5.326 7.063 1.00 0.33 C ATOM 752 C PRO A 46 -5.200 -4.962 8.544 1.00 0.32 C ATOM 753 O PRO A 46 -5.095 -5.836 9.407 1.00 0.35 O ATOM 754 CB PRO A 46 -6.483 -6.157 6.744 1.00 0.40 C ATOM 755 CG PRO A 46 -5.996 -7.374 6.027 1.00 0.43 C ATOM 756 CD PRO A 46 -4.581 -7.580 6.473 1.00 0.38 C ATOM 0 HA PRO A 46 -5.180 -4.378 6.527 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -7.015 -6.427 7.656 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.179 -5.591 6.125 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.611 -8.241 6.269 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.048 -7.237 4.947 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.524 -8.178 7.382 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -3.987 -8.093 5.716 1.00 0.38 H new ATOM 764 N PRO A 47 -5.263 -3.657 8.846 1.00 0.33 N ATOM 765 CA PRO A 47 -5.352 -3.156 10.223 1.00 0.37 C ATOM 766 C PRO A 47 -6.538 -3.752 10.983 1.00 0.40 C ATOM 767 O PRO A 47 -7.545 -4.139 10.391 1.00 0.41 O ATOM 768 CB PRO A 47 -5.538 -1.649 10.038 1.00 0.37 C ATOM 769 CG PRO A 47 -4.943 -1.355 8.706 1.00 0.48 C ATOM 770 CD PRO A 47 -5.217 -2.566 7.862 1.00 0.35 C ATOM 0 HA PRO A 47 -4.475 -3.423 10.812 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.592 -1.373 10.070 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -5.038 -1.088 10.828 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.389 -0.463 8.267 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.872 -1.169 8.788 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.157 -2.474 7.319 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.434 -2.725 7.120 1.00 0.35 H new ATOM 778 N GLN A 48 -6.404 -3.782 12.306 1.00 0.52 N ATOM 779 CA GLN A 48 -7.314 -4.514 13.196 1.00 0.63 C ATOM 780 C GLN A 48 -8.785 -4.112 13.042 1.00 0.57 C ATOM 781 O GLN A 48 -9.675 -4.906 13.329 1.00 0.68 O ATOM 782 CB GLN A 48 -6.870 -4.311 14.646 1.00 0.83 C ATOM 783 CG GLN A 48 -6.817 -2.849 15.066 1.00 0.89 C ATOM 784 CD GLN A 48 -6.111 -2.643 16.390 1.00 1.22 C ATOM 785 OE1 GLN A 48 -5.197 -3.385 16.744 1.00 1.54 O ATOM 786 NE2 GLN A 48 -6.538 -1.643 17.142 1.00 1.92 N ATOM 0 H GLN A 48 -5.655 -3.296 12.800 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.255 -5.565 12.912 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -7.554 -4.846 15.305 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.884 -4.756 14.781 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -6.307 -2.272 14.294 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -7.832 -2.459 15.137 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.299 -1.048 16.815 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -6.106 -1.467 18.049 1.00 1.92 H new ATOM 795 N SER A 49 -9.039 -2.889 12.598 1.00 0.49 N ATOM 796 CA SER A 49 -10.405 -2.391 12.482 1.00 0.51 C ATOM 797 C SER A 49 -11.066 -2.882 11.186 1.00 0.51 C ATOM 798 O SER A 49 -12.257 -2.657 10.957 1.00 0.59 O ATOM 799 CB SER A 49 -10.413 -0.860 12.551 1.00 0.56 C ATOM 800 OG SER A 49 -11.723 -0.347 12.744 1.00 1.58 O ATOM 0 H SER A 49 -8.320 -2.224 12.313 1.00 0.49 H new ATOM 0 HA SER A 49 -10.986 -2.783 13.317 1.00 0.51 H new ATOM 0 HB2 SER A 49 -9.770 -0.530 13.367 1.00 0.56 H new ATOM 0 HB3 SER A 49 -9.995 -0.453 11.630 1.00 0.56 H new ATOM 0 HG SER A 49 -12.369 -0.913 12.272 1.00 1.58 H new ATOM 806 N PHE A 50 -10.292 -3.546 10.333 1.00 0.47 N ATOM 807 CA PHE A 50 -10.815 -4.044 9.064 1.00 0.51 C ATOM 808 C PHE A 50 -11.479 -5.403 9.232 1.00 0.58 C ATOM 809 O PHE A 50 -12.490 -5.685 8.588 1.00 0.67 O ATOM 810 CB PHE A 50 -9.700 -4.153 8.020 1.00 0.49 C ATOM 811 CG PHE A 50 -9.259 -2.836 7.454 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.603 -1.909 8.244 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.492 -2.532 6.123 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.187 -0.703 7.720 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.081 -1.324 5.593 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.427 -0.410 6.395 1.00 0.65 C ATOM 0 H PHE A 50 -9.306 -3.751 10.495 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.562 -3.328 8.722 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.841 -4.648 8.473 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -10.042 -4.790 7.205 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.414 -2.132 9.284 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -10.000 -3.247 5.493 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -7.674 0.011 8.347 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.271 -1.095 4.555 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.103 0.535 5.984 1.00 0.65 H new ATOM 826 N GLN A 51 -10.897 -6.239 10.093 1.00 0.58 N ATOM 827 CA GLN A 51 -11.360 -7.612 10.286 1.00 0.67 C ATOM 828 C GLN A 51 -11.316 -8.378 8.969 1.00 0.65 C ATOM 829 O GLN A 51 -12.188 -9.199 8.673 1.00 0.88 O ATOM 830 CB GLN A 51 -12.771 -7.644 10.879 1.00 0.82 C ATOM 831 CG GLN A 51 -12.876 -6.938 12.219 1.00 0.94 C ATOM 832 CD GLN A 51 -14.253 -7.063 12.833 1.00 1.28 C ATOM 833 OE1 GLN A 51 -14.523 -7.991 13.597 1.00 1.77 O ATOM 834 NE2 GLN A 51 -15.140 -6.144 12.490 1.00 1.99 N ATOM 0 H GLN A 51 -10.097 -5.985 10.672 1.00 0.58 H new ATOM 0 HA GLN A 51 -10.689 -8.096 10.995 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -13.463 -7.180 10.177 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -13.084 -8.681 10.997 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -12.137 -7.354 12.904 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -12.633 -5.883 12.090 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -14.875 -5.392 11.854 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -16.089 -6.187 12.861 1.00 1.99 H new ATOM 843 N SER A 52 -10.288 -8.090 8.185 1.00 0.51 N ATOM 844 CA SER A 52 -10.092 -8.728 6.898 1.00 0.51 C ATOM 845 C SER A 52 -8.886 -9.657 6.978 1.00 0.43 C ATOM 846 O SER A 52 -8.033 -9.496 7.854 1.00 0.44 O ATOM 847 CB SER A 52 -9.888 -7.662 5.811 1.00 0.53 C ATOM 848 OG SER A 52 -9.844 -8.241 4.516 1.00 1.35 O ATOM 0 H SER A 52 -9.569 -7.408 8.425 1.00 0.51 H new ATOM 0 HA SER A 52 -10.973 -9.314 6.638 1.00 0.51 H new ATOM 0 HB2 SER A 52 -10.698 -6.934 5.858 1.00 0.53 H new ATOM 0 HB3 SER A 52 -8.961 -7.121 6.000 1.00 0.53 H new ATOM 0 HG SER A 52 -9.715 -7.537 3.847 1.00 1.35 H new ATOM 854 N ALA A 53 -8.824 -10.628 6.080 1.00 0.46 N ATOM 855 CA ALA A 53 -7.747 -11.605 6.085 1.00 0.43 C ATOM 856 C ALA A 53 -6.604 -11.147 5.186 1.00 0.36 C ATOM 857 O ALA A 53 -6.833 -10.697 4.061 1.00 0.38 O ATOM 858 CB ALA A 53 -8.269 -12.962 5.638 1.00 0.50 C ATOM 0 H ALA A 53 -9.509 -10.760 5.336 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.364 -11.697 7.101 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.454 -13.686 5.646 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -9.054 -13.292 6.319 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.674 -12.882 4.629 1.00 0.50 H new ATOM 864 N PRO A 54 -5.358 -11.246 5.680 1.00 0.33 N ATOM 865 CA PRO A 54 -4.161 -10.840 4.930 1.00 0.30 C ATOM 866 C PRO A 54 -3.962 -11.667 3.664 1.00 0.28 C ATOM 867 O PRO A 54 -4.155 -12.883 3.670 1.00 0.29 O ATOM 868 CB PRO A 54 -3.008 -11.085 5.917 1.00 0.35 C ATOM 869 CG PRO A 54 -3.654 -11.181 7.257 1.00 0.56 C ATOM 870 CD PRO A 54 -5.016 -11.760 7.015 1.00 0.39 C ATOM 0 HA PRO A 54 -4.231 -9.807 4.590 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.469 -12.000 5.673 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.284 -10.271 5.886 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.073 -11.815 7.926 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.724 -10.201 7.728 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.002 -12.850 7.037 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.733 -11.435 7.769 1.00 0.39 H new ATOM 878 N ARG A 55 -3.577 -11.006 2.583 1.00 0.27 N ATOM 879 CA ARG A 55 -3.378 -11.681 1.311 1.00 0.30 C ATOM 880 C ARG A 55 -2.225 -11.047 0.546 1.00 0.24 C ATOM 881 O ARG A 55 -2.083 -9.827 0.527 1.00 0.20 O ATOM 882 CB ARG A 55 -4.652 -11.626 0.468 1.00 0.41 C ATOM 883 CG ARG A 55 -4.549 -12.417 -0.823 1.00 0.52 C ATOM 884 CD ARG A 55 -5.800 -12.286 -1.669 1.00 0.82 C ATOM 885 NE ARG A 55 -5.692 -13.064 -2.904 1.00 1.64 N ATOM 886 CZ ARG A 55 -6.066 -12.625 -4.107 1.00 2.46 C ATOM 887 NH1 ARG A 55 -6.628 -11.429 -4.242 1.00 2.66 N ATOM 888 NH2 ARG A 55 -5.884 -13.395 -5.174 1.00 3.34 N ATOM 0 H ARG A 55 -3.396 -10.002 2.562 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.136 -12.724 1.515 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.486 -12.009 1.056 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -4.880 -10.586 0.232 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -3.687 -12.070 -1.393 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.376 -13.468 -0.592 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.665 -12.625 -1.098 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -5.969 -11.237 -1.911 1.00 0.82 H new ATOM 0 HE ARG A 55 -5.305 -14.005 -2.841 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -6.776 -10.840 -3.423 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -6.911 -11.100 -5.165 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -5.460 -14.317 -5.071 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -6.168 -13.064 -6.096 1.00 3.34 H new ATOM 902 N VAL A 56 -1.401 -11.876 -0.069 1.00 0.27 N ATOM 903 CA VAL A 56 -0.269 -11.394 -0.843 1.00 0.25 C ATOM 904 C VAL A 56 -0.695 -11.013 -2.265 1.00 0.25 C ATOM 905 O VAL A 56 -1.458 -11.732 -2.914 1.00 0.31 O ATOM 906 CB VAL A 56 0.866 -12.451 -0.890 1.00 0.32 C ATOM 907 CG1 VAL A 56 0.383 -13.756 -1.507 1.00 1.22 C ATOM 908 CG2 VAL A 56 2.077 -11.923 -1.644 1.00 1.18 C ATOM 0 H VAL A 56 -1.495 -12.891 -0.048 1.00 0.27 H new ATOM 0 HA VAL A 56 0.111 -10.501 -0.346 1.00 0.25 H new ATOM 0 HB VAL A 56 1.164 -12.653 0.139 1.00 0.32 H new ATOM 0 HG11 VAL A 56 1.202 -14.475 -1.525 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -0.439 -14.157 -0.914 1.00 1.22 H new ATOM 0 HG13 VAL A 56 0.039 -13.572 -2.525 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.856 -12.685 -1.661 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.790 -11.675 -2.666 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.454 -11.030 -1.147 1.00 1.18 H new ATOM 918 N TYR A 57 -0.204 -9.873 -2.735 1.00 0.20 N ATOM 919 CA TYR A 57 -0.505 -9.393 -4.076 1.00 0.20 C ATOM 920 C TYR A 57 0.788 -9.158 -4.841 1.00 0.19 C ATOM 921 O TYR A 57 1.792 -8.741 -4.259 1.00 0.21 O ATOM 922 CB TYR A 57 -1.319 -8.091 -4.029 1.00 0.20 C ATOM 923 CG TYR A 57 -2.768 -8.284 -3.640 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.164 -8.285 -2.309 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.742 -8.466 -4.614 1.00 0.36 C ATOM 926 CE1 TYR A 57 -4.490 -8.463 -1.958 1.00 0.45 C ATOM 927 CE2 TYR A 57 -5.069 -8.643 -4.273 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.438 -8.642 -2.944 1.00 0.46 C ATOM 929 OH TYR A 57 -6.759 -8.826 -2.600 1.00 0.57 O ATOM 0 H TYR A 57 0.410 -9.259 -2.200 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.100 -10.152 -4.583 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.851 -7.408 -3.320 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.277 -7.613 -5.008 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -2.424 -8.144 -1.535 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -3.457 -8.469 -5.656 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -4.781 -8.462 -0.918 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -5.814 -8.781 -5.043 1.00 0.45 H new ATOM 0 HH TYR A 57 -7.296 -8.936 -3.412 1.00 0.57 H new ATOM 939 N ARG A 58 0.777 -9.445 -6.135 1.00 0.23 N ATOM 940 CA ARG A 58 1.933 -9.172 -6.966 1.00 0.27 C ATOM 941 C ARG A 58 1.861 -7.751 -7.502 1.00 0.25 C ATOM 942 O ARG A 58 0.915 -7.375 -8.198 1.00 0.37 O ATOM 943 CB ARG A 58 2.062 -10.183 -8.113 1.00 0.40 C ATOM 944 CG ARG A 58 3.227 -9.876 -9.042 1.00 0.57 C ATOM 945 CD ARG A 58 3.881 -11.136 -9.588 1.00 1.11 C ATOM 946 NE ARG A 58 3.018 -11.881 -10.504 1.00 1.96 N ATOM 947 CZ ARG A 58 3.470 -12.800 -11.358 1.00 2.71 C ATOM 948 NH1 ARG A 58 4.769 -13.070 -11.425 1.00 2.90 N ATOM 949 NH2 ARG A 58 2.622 -13.441 -12.153 1.00 3.71 N ATOM 0 H ARG A 58 -0.014 -9.863 -6.626 1.00 0.23 H new ATOM 0 HA ARG A 58 2.825 -9.274 -6.348 1.00 0.27 H new ATOM 0 HB2 ARG A 58 2.188 -11.183 -7.697 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.137 -10.192 -8.689 1.00 0.40 H new ATOM 0 HG2 ARG A 58 2.875 -9.264 -9.872 1.00 0.57 H new ATOM 0 HG3 ARG A 58 3.971 -9.287 -8.505 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.801 -10.865 -10.105 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.161 -11.782 -8.756 1.00 1.11 H new ATOM 0 HE ARG A 58 2.017 -11.687 -10.489 1.00 1.96 H new ATOM 0 HH11 ARG A 58 5.425 -12.574 -10.822 1.00 2.90 H new ATOM 0 HH12 ARG A 58 5.111 -13.774 -12.080 1.00 2.90 H new ATOM 0 HH21 ARG A 58 1.625 -13.231 -12.111 1.00 3.71 H new ATOM 0 HH22 ARG A 58 2.968 -14.144 -12.806 1.00 3.71 H new ATOM 963 N VAL A 59 2.861 -6.966 -7.150 1.00 0.19 N ATOM 964 CA VAL A 59 2.926 -5.574 -7.537 1.00 0.17 C ATOM 965 C VAL A 59 3.405 -5.431 -8.962 1.00 0.17 C ATOM 966 O VAL A 59 4.520 -5.849 -9.297 1.00 0.18 O ATOM 967 CB VAL A 59 3.869 -4.778 -6.620 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.066 -3.359 -7.129 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.329 -4.754 -5.213 1.00 0.20 C ATOM 0 H VAL A 59 3.652 -7.278 -6.586 1.00 0.19 H new ATOM 0 HA VAL A 59 1.916 -5.175 -7.446 1.00 0.17 H new ATOM 0 HB VAL A 59 4.839 -5.275 -6.623 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.738 -2.822 -6.459 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.498 -3.388 -8.129 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.104 -2.848 -7.164 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.006 -4.187 -4.573 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.346 -4.283 -5.209 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.244 -5.774 -4.838 1.00 0.20 H new ATOM 979 N ASN A 60 2.549 -4.855 -9.790 1.00 0.17 N ATOM 980 CA ASN A 60 2.930 -4.478 -11.134 1.00 0.18 C ATOM 981 C ASN A 60 3.600 -3.114 -11.095 1.00 0.18 C ATOM 982 O ASN A 60 4.537 -2.847 -11.851 1.00 0.21 O ATOM 983 CB ASN A 60 1.715 -4.434 -12.060 1.00 0.23 C ATOM 984 CG ASN A 60 2.097 -4.139 -13.499 1.00 1.14 C ATOM 985 OD1 ASN A 60 3.192 -4.727 -13.958 1.00 2.02 O flip ATOM 986 ND2 ASN A 60 1.396 -3.413 -14.205 1.00 1.61 N flip ATOM 0 H ASN A 60 1.582 -4.639 -9.550 1.00 0.17 H new ATOM 0 HA ASN A 60 3.622 -5.224 -11.525 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.191 -5.389 -12.014 1.00 0.23 H new ATOM 0 HB3 ASN A 60 1.020 -3.672 -11.708 1.00 0.23 H new ATOM 0 HD21 ASN A 60 0.560 -2.977 -13.816 1.00 1.61 H new ATOM 0 HD22 ASN A 60 1.652 -3.248 -15.178 1.00 1.61 H new ATOM 993 N GLY A 61 3.117 -2.246 -10.207 1.00 0.18 N ATOM 994 CA GLY A 61 3.750 -0.956 -10.051 1.00 0.23 C ATOM 995 C GLY A 61 3.052 -0.062 -9.052 1.00 0.21 C ATOM 996 O GLY A 61 2.533 -0.533 -8.038 1.00 0.21 O ATOM 0 H GLY A 61 2.311 -2.413 -9.604 1.00 0.18 H new ATOM 0 HA2 GLY A 61 4.783 -1.102 -9.737 1.00 0.23 H new ATOM 0 HA3 GLY A 61 3.779 -0.454 -11.018 1.00 0.23 H new ATOM 1000 N LEU A 62 3.032 1.230 -9.344 1.00 0.25 N ATOM 1001 CA LEU A 62 2.486 2.214 -8.424 1.00 0.28 C ATOM 1002 C LEU A 62 1.533 3.167 -9.122 1.00 0.32 C ATOM 1003 O LEU A 62 1.495 3.255 -10.351 1.00 0.33 O ATOM 1004 CB LEU A 62 3.606 3.007 -7.762 1.00 0.32 C ATOM 1005 CG LEU A 62 4.433 2.231 -6.742 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.490 3.129 -6.151 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.538 1.685 -5.648 1.00 0.35 C ATOM 0 H LEU A 62 3.390 1.622 -10.215 1.00 0.25 H new ATOM 0 HA LEU A 62 1.928 1.669 -7.663 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.273 3.381 -8.538 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.172 3.877 -7.269 1.00 0.32 H new ATOM 0 HG LEU A 62 4.919 1.394 -7.243 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.077 2.569 -5.423 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.144 3.492 -6.944 1.00 0.42 H new ATOM 0 HD13 LEU A 62 5.013 3.976 -5.658 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.141 1.133 -4.926 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.034 2.510 -5.144 1.00 0.35 H new ATOM 0 HD23 LEU A 62 2.795 1.018 -6.085 1.00 0.35 H new ATOM 1019 N SER A 63 0.743 3.846 -8.312 1.00 0.39 N ATOM 1020 CA SER A 63 -0.219 4.817 -8.786 1.00 0.48 C ATOM 1021 C SER A 63 0.474 6.130 -9.134 1.00 0.49 C ATOM 1022 O SER A 63 1.574 6.407 -8.661 1.00 0.60 O ATOM 1023 CB SER A 63 -1.259 5.043 -7.692 1.00 0.66 C ATOM 1024 OG SER A 63 -2.362 5.801 -8.165 1.00 1.57 O ATOM 0 H SER A 63 0.753 3.737 -7.298 1.00 0.39 H new ATOM 0 HA SER A 63 -0.703 4.443 -9.688 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.611 4.081 -7.320 1.00 0.66 H new ATOM 0 HB3 SER A 63 -0.796 5.560 -6.851 1.00 0.66 H new ATOM 0 HG SER A 63 -2.641 6.438 -7.475 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.183 6.933 -9.961 1.00 0.66 N ATOM 1031 CA ARG A 64 0.354 8.221 -10.378 1.00 0.78 C ATOM 1032 C ARG A 64 -0.010 9.303 -9.372 1.00 0.61 C ATOM 1033 O ARG A 64 0.432 10.445 -9.485 1.00 0.71 O ATOM 1034 CB ARG A 64 -0.180 8.598 -11.763 1.00 1.08 C ATOM 1035 CG ARG A 64 0.202 7.605 -12.843 1.00 1.53 C ATOM 1036 CD ARG A 64 1.702 7.572 -13.045 1.00 2.14 C ATOM 1037 NE ARG A 64 2.156 6.268 -13.508 1.00 2.62 N ATOM 1038 CZ ARG A 64 3.127 5.584 -12.911 1.00 3.27 C ATOM 1039 NH1 ARG A 64 3.832 6.149 -11.942 1.00 3.51 N ATOM 1040 NH2 ARG A 64 3.423 4.352 -13.299 1.00 4.02 N ATOM 0 H ARG A 64 -1.096 6.712 -10.359 1.00 0.66 H new ATOM 0 HA ARG A 64 1.440 8.138 -10.427 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -1.266 8.675 -11.717 1.00 1.08 H new ATOM 0 HB3 ARG A 64 0.198 9.583 -12.035 1.00 1.08 H new ATOM 0 HG2 ARG A 64 -0.154 6.611 -12.570 1.00 1.53 H new ATOM 0 HG3 ARG A 64 -0.289 7.873 -13.779 1.00 1.53 H new ATOM 0 HD2 ARG A 64 1.988 8.335 -13.769 1.00 2.14 H new ATOM 0 HD3 ARG A 64 2.201 7.819 -12.108 1.00 2.14 H new ATOM 0 HE ARG A 64 1.708 5.860 -14.329 1.00 2.62 H new ATOM 0 HH11 ARG A 64 3.629 7.107 -11.656 1.00 3.51 H new ATOM 0 HH12 ARG A 64 4.578 5.626 -11.482 1.00 3.51 H new ATOM 0 HH21 ARG A 64 2.904 3.919 -14.063 1.00 4.02 H new ATOM 0 HH22 ARG A 64 4.170 3.836 -12.834 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.823 8.937 -8.394 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.280 9.882 -7.394 1.00 0.36 C ATOM 1056 C ALA A 65 -1.241 9.269 -6.000 1.00 0.33 C ATOM 1057 O ALA A 65 -1.561 8.089 -5.818 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.685 10.354 -7.726 1.00 0.47 C ATOM 0 H ALA A 65 -1.179 7.989 -8.273 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.607 10.739 -7.402 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -3.019 11.063 -6.969 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.685 10.839 -8.702 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.361 9.499 -7.745 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.806 10.065 -5.012 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.823 9.681 -3.593 1.00 0.37 C ATOM 1066 C PRO A 66 -2.232 9.382 -3.080 1.00 0.33 C ATOM 1067 O PRO A 66 -3.233 9.656 -3.750 1.00 0.34 O ATOM 1068 CB PRO A 66 -0.257 10.918 -2.884 1.00 0.45 C ATOM 1069 CG PRO A 66 0.520 11.637 -3.929 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.220 11.402 -5.209 1.00 0.41 C ATOM 0 HA PRO A 66 -0.256 8.767 -3.417 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -1.055 11.544 -2.485 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.378 10.636 -2.044 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.588 12.701 -3.705 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.540 11.258 -3.990 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.987 12.158 -5.376 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.446 11.428 -6.071 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.296 8.846 -1.863 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.550 8.389 -1.271 1.00 0.35 C ATOM 1080 C ALA A 67 -4.483 9.548 -0.953 1.00 0.32 C ATOM 1081 O ALA A 67 -5.688 9.358 -0.781 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.271 7.580 -0.014 1.00 0.40 C ATOM 0 H ALA A 67 -1.482 8.717 -1.262 1.00 0.35 H new ATOM 0 HA ALA A 67 -4.050 7.757 -2.005 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.213 7.244 0.419 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.659 6.714 -0.267 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.741 8.201 0.708 1.00 0.40 H new ATOM 1088 N SER A 68 -3.919 10.741 -0.865 1.00 0.36 N ATOM 1089 CA SER A 68 -4.697 11.938 -0.598 1.00 0.39 C ATOM 1090 C SER A 68 -5.224 12.545 -1.900 1.00 0.39 C ATOM 1091 O SER A 68 -6.040 13.465 -1.883 1.00 0.47 O ATOM 1092 CB SER A 68 -3.826 12.952 0.144 1.00 0.46 C ATOM 1093 OG SER A 68 -3.171 12.342 1.244 1.00 1.08 O ATOM 0 H SER A 68 -2.919 10.906 -0.975 1.00 0.36 H new ATOM 0 HA SER A 68 -5.554 11.672 0.021 1.00 0.39 H new ATOM 0 HB2 SER A 68 -3.087 13.372 -0.538 1.00 0.46 H new ATOM 0 HB3 SER A 68 -4.442 13.780 0.495 1.00 0.46 H new ATOM 0 HG SER A 68 -2.617 13.007 1.705 1.00 1.08 H new ATOM 1099 N SER A 69 -4.757 12.021 -3.027 1.00 0.37 N ATOM 1100 CA SER A 69 -5.141 12.551 -4.326 1.00 0.41 C ATOM 1101 C SER A 69 -6.198 11.671 -4.994 1.00 0.43 C ATOM 1102 O SER A 69 -7.152 12.173 -5.587 1.00 0.58 O ATOM 1103 CB SER A 69 -3.910 12.668 -5.221 1.00 0.48 C ATOM 1104 OG SER A 69 -2.883 13.407 -4.577 1.00 1.15 O ATOM 0 H SER A 69 -4.113 11.231 -3.066 1.00 0.37 H new ATOM 0 HA SER A 69 -5.575 13.540 -4.177 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.544 11.673 -5.474 1.00 0.48 H new ATOM 0 HB3 SER A 69 -4.181 13.155 -6.157 1.00 0.48 H new ATOM 0 HG SER A 69 -2.344 13.873 -5.250 1.00 1.15 H new ATOM 1110 N GLU A 70 -6.029 10.357 -4.892 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.964 9.427 -5.512 1.00 0.47 C ATOM 1112 C GLU A 70 -8.226 9.267 -4.678 1.00 0.45 C ATOM 1113 O GLU A 70 -8.170 9.197 -3.448 1.00 0.40 O ATOM 1114 CB GLU A 70 -6.305 8.071 -5.750 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.332 8.078 -6.914 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.999 8.487 -8.211 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -6.979 7.834 -8.617 1.00 1.09 O ATOM 1118 OE2 GLU A 70 -5.545 9.467 -8.833 1.00 0.79 O ATOM 0 H GLU A 70 -5.259 9.915 -4.390 1.00 0.40 H new ATOM 0 HA GLU A 70 -7.251 9.846 -6.476 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.778 7.766 -4.846 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -7.078 7.325 -5.935 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.512 8.763 -6.697 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -4.896 7.085 -7.028 1.00 0.69 H new ATOM 1125 N THR A 71 -9.360 9.200 -5.362 1.00 0.57 N ATOM 1126 CA THR A 71 -10.659 9.174 -4.708 1.00 0.59 C ATOM 1127 C THR A 71 -11.541 8.062 -5.265 1.00 0.67 C ATOM 1128 O THR A 71 -11.350 7.614 -6.398 1.00 0.75 O ATOM 1129 CB THR A 71 -11.391 10.515 -4.907 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.364 10.882 -6.295 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.760 11.620 -4.078 1.00 0.67 C ATOM 0 H THR A 71 -9.405 9.162 -6.380 1.00 0.57 H new ATOM 0 HA THR A 71 -10.479 8.996 -3.648 1.00 0.59 H new ATOM 0 HB THR A 71 -12.422 10.387 -4.577 1.00 0.67 H new ATOM 0 HG1 THR A 71 -11.832 11.734 -6.417 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.301 12.552 -4.242 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.807 11.354 -3.022 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.719 11.748 -4.374 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.502 7.623 -4.464 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.517 6.685 -4.919 1.00 0.74 C ATOM 1141 C PHE A 72 -14.829 6.973 -4.202 1.00 0.76 C ATOM 1142 O PHE A 72 -14.838 7.565 -3.120 1.00 0.74 O ATOM 1143 CB PHE A 72 -13.078 5.232 -4.694 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.879 4.854 -3.253 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.685 5.131 -2.609 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.884 4.214 -2.546 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.498 4.780 -1.286 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.703 3.859 -1.225 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.508 4.142 -0.594 1.00 0.57 C ATOM 0 H PHE A 72 -12.599 7.905 -3.488 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.658 6.815 -5.992 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.825 4.569 -5.130 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -12.146 5.060 -5.233 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.891 5.627 -3.147 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.821 3.990 -3.035 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.563 5.004 -0.794 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.495 3.361 -0.685 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.364 3.865 0.440 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.931 6.570 -4.807 1.00 0.83 N ATOM 1160 CA GLU A 73 -17.247 6.892 -4.282 1.00 0.86 C ATOM 1161 C GLU A 73 -17.846 5.719 -3.515 1.00 0.87 C ATOM 1162 O GLU A 73 -17.860 4.584 -3.998 1.00 0.89 O ATOM 1163 CB GLU A 73 -18.175 7.300 -5.427 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.560 7.728 -4.977 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.444 8.130 -6.137 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -21.104 7.248 -6.721 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -20.487 9.333 -6.467 1.00 1.68 O ATOM 0 H GLU A 73 -15.942 6.018 -5.664 1.00 0.83 H new ATOM 0 HA GLU A 73 -17.139 7.723 -3.586 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.715 8.119 -5.980 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -18.271 6.463 -6.119 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -20.031 6.910 -4.431 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.472 8.565 -4.284 1.00 1.02 H new ATOM 1174 N HIS A 74 -18.330 6.004 -2.316 1.00 0.90 N ATOM 1175 CA HIS A 74 -19.030 5.021 -1.506 1.00 0.97 C ATOM 1176 C HIS A 74 -20.255 5.669 -0.872 1.00 1.09 C ATOM 1177 O HIS A 74 -20.137 6.676 -0.174 1.00 1.06 O ATOM 1178 CB HIS A 74 -18.098 4.455 -0.429 1.00 0.90 C ATOM 1179 CG HIS A 74 -18.698 3.321 0.345 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -18.660 2.032 -0.128 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -19.348 3.336 1.532 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -19.285 1.298 0.776 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -19.721 2.043 1.801 1.00 1.20 N ATOM 0 H HIS A 74 -18.249 6.922 -1.878 1.00 0.90 H new ATOM 0 HA HIS A 74 -19.353 4.195 -2.140 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -17.176 4.115 -0.900 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -17.827 5.253 0.262 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -19.537 4.201 2.150 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -19.427 0.230 0.698 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -20.231 1.713 2.621 1.00 1.20 H new ATOM 1191 N ASP A 75 -21.430 5.107 -1.152 1.00 1.29 N ATOM 1192 CA ASP A 75 -22.702 5.655 -0.666 1.00 1.48 C ATOM 1193 C ASP A 75 -22.914 7.078 -1.169 1.00 1.39 C ATOM 1194 O ASP A 75 -23.566 7.895 -0.517 1.00 1.46 O ATOM 1195 CB ASP A 75 -22.788 5.616 0.867 1.00 1.61 C ATOM 1196 CG ASP A 75 -23.259 4.275 1.390 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -24.399 3.876 1.069 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.507 3.616 2.140 1.00 2.80 O ATOM 0 H ASP A 75 -21.531 4.264 -1.718 1.00 1.29 H new ATOM 0 HA ASP A 75 -23.496 5.023 -1.064 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -21.808 5.842 1.288 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -23.470 6.395 1.209 1.00 1.61 H new ATOM 1203 N GLY A 76 -22.354 7.370 -2.338 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.489 8.690 -2.919 1.00 1.24 C ATOM 1205 C GLY A 76 -21.484 9.675 -2.357 1.00 1.14 C ATOM 1206 O GLY A 76 -21.475 10.847 -2.726 1.00 1.18 O ATOM 0 H GLY A 76 -21.807 6.712 -2.894 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.362 8.623 -4.000 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.498 9.062 -2.739 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.642 9.204 -1.453 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.619 10.043 -0.857 1.00 1.00 C ATOM 1212 C LYS A 77 -18.262 9.697 -1.453 1.00 0.89 C ATOM 1213 O LYS A 77 -17.840 8.540 -1.419 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.589 9.854 0.666 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.961 9.931 1.324 1.00 1.37 C ATOM 1216 CD LYS A 77 -21.623 11.285 1.113 1.00 1.58 C ATOM 1217 CE LYS A 77 -23.044 11.293 1.657 1.00 1.77 C ATOM 1218 NZ LYS A 77 -23.702 12.613 1.487 1.00 2.07 N ATOM 0 H LYS A 77 -20.648 8.241 -1.115 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.851 11.087 -1.070 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -19.141 8.887 0.894 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.943 10.615 1.104 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -21.601 9.148 0.918 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -20.861 9.739 2.392 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -21.037 12.060 1.607 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -21.636 11.525 0.050 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -23.631 10.528 1.148 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -23.028 11.031 2.715 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -24.667 12.572 1.872 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -23.158 13.340 1.994 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -23.742 12.853 0.476 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.590 10.685 -2.016 1.00 0.90 N ATOM 1233 CA LYS A 78 -16.281 10.463 -2.615 1.00 0.83 C ATOM 1234 C LYS A 78 -15.175 10.737 -1.607 1.00 0.73 C ATOM 1235 O LYS A 78 -14.920 11.886 -1.242 1.00 0.81 O ATOM 1236 CB LYS A 78 -16.095 11.338 -3.854 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.954 10.916 -5.034 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.807 11.878 -6.200 1.00 1.23 C ATOM 1239 CE LYS A 78 -15.375 11.917 -6.710 1.00 1.77 C ATOM 1240 NZ LYS A 78 -15.197 12.909 -7.801 1.00 2.36 N ATOM 0 H LYS A 78 -17.925 11.647 -2.072 1.00 0.90 H new ATOM 0 HA LYS A 78 -16.223 9.418 -2.919 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -16.329 12.371 -3.597 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -15.047 11.313 -4.152 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -16.671 9.912 -5.351 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.999 10.871 -4.727 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -17.474 11.578 -7.008 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -17.112 12.877 -5.890 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -14.704 12.160 -5.886 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -15.092 10.928 -7.070 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -14.207 12.902 -8.118 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -15.818 12.663 -8.598 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -15.442 13.857 -7.451 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.532 9.676 -1.157 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.449 9.785 -0.198 1.00 0.54 C ATOM 1256 C VAL A 79 -12.131 9.384 -0.846 1.00 0.48 C ATOM 1257 O VAL A 79 -12.115 8.649 -1.836 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.700 8.898 1.043 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.919 9.382 1.815 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.868 7.438 0.641 1.00 0.56 C ATOM 0 H VAL A 79 -14.744 8.720 -1.444 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.400 10.825 0.126 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.829 8.975 1.694 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.077 8.743 2.684 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.757 10.409 2.144 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.797 9.341 1.171 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -14.043 6.833 1.531 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.717 7.342 -0.036 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.964 7.092 0.140 1.00 0.56 H new ATOM 1270 N THR A 80 -11.034 9.885 -0.304 1.00 0.42 N ATOM 1271 CA THR A 80 -9.720 9.521 -0.794 1.00 0.37 C ATOM 1272 C THR A 80 -9.311 8.169 -0.232 1.00 0.33 C ATOM 1273 O THR A 80 -9.926 7.687 0.726 1.00 0.32 O ATOM 1274 CB THR A 80 -8.661 10.569 -0.406 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.697 10.786 1.009 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.896 11.885 -1.128 1.00 0.46 C ATOM 0 H THR A 80 -11.029 10.544 0.475 1.00 0.42 H new ATOM 0 HA THR A 80 -9.777 9.473 -1.881 1.00 0.37 H new ATOM 0 HB THR A 80 -7.683 10.189 -0.700 1.00 0.34 H new ATOM 0 HG1 THR A 80 -8.021 11.452 1.255 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.132 12.604 -0.832 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.845 11.723 -2.205 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.880 12.273 -0.865 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.287 7.558 -0.808 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.785 6.289 -0.295 1.00 0.31 C ATOM 1286 C ILE A 81 -7.368 6.465 1.164 1.00 0.27 C ATOM 1287 O ILE A 81 -7.673 5.636 2.028 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.576 5.775 -1.113 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.847 5.896 -2.619 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.261 4.329 -0.746 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -8.030 5.084 -3.103 1.00 0.40 C ATOM 0 H ILE A 81 -7.790 7.915 -1.624 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.585 5.553 -0.379 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.712 6.393 -0.869 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -7.016 6.945 -2.863 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.957 5.581 -3.164 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.408 3.983 -1.330 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -6.023 4.267 0.316 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -7.126 3.702 -0.961 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -8.153 5.225 -4.177 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.857 4.028 -2.893 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.932 5.413 -2.588 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.708 7.590 1.429 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.251 7.924 2.769 1.00 0.25 C ATOM 1305 C ALA A 82 -7.421 8.097 3.728 1.00 0.24 C ATOM 1306 O ALA A 82 -7.380 7.618 4.860 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.406 9.188 2.732 1.00 0.26 C ATOM 0 H ALA A 82 -6.478 8.290 0.723 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.642 7.097 3.134 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -5.069 9.430 3.740 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.541 9.029 2.088 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -6.002 10.013 2.341 1.00 0.26 H new ATOM 1313 N SER A 83 -8.468 8.773 3.266 1.00 0.26 N ATOM 1314 CA SER A 83 -9.632 9.042 4.097 1.00 0.28 C ATOM 1315 C SER A 83 -10.360 7.744 4.449 1.00 0.26 C ATOM 1316 O SER A 83 -10.929 7.618 5.535 1.00 0.27 O ATOM 1317 CB SER A 83 -10.582 10.009 3.382 1.00 0.34 C ATOM 1318 OG SER A 83 -11.489 10.609 4.293 1.00 1.16 O ATOM 0 H SER A 83 -8.532 9.144 2.318 1.00 0.26 H new ATOM 0 HA SER A 83 -9.292 9.504 5.024 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.004 10.784 2.878 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.138 9.474 2.612 1.00 0.34 H new ATOM 0 HG SER A 83 -12.081 11.222 3.809 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.325 6.777 3.537 1.00 0.27 N ATOM 1325 CA TYR A 84 -10.971 5.492 3.768 1.00 0.29 C ATOM 1326 C TYR A 84 -10.309 4.758 4.928 1.00 0.27 C ATOM 1327 O TYR A 84 -10.985 4.280 5.840 1.00 0.29 O ATOM 1328 CB TYR A 84 -10.920 4.631 2.503 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.477 3.235 2.697 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -12.849 3.014 2.756 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -10.632 2.137 2.813 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.361 1.741 2.926 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -11.137 0.862 2.981 1.00 0.71 C ATOM 1334 CZ TYR A 84 -12.499 0.673 3.068 1.00 0.78 C ATOM 1335 OH TYR A 84 -13.006 -0.599 3.201 1.00 0.95 O ATOM 0 H TYR A 84 -9.857 6.860 2.634 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.014 5.677 4.024 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.479 5.130 1.711 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -9.886 4.557 2.165 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.526 3.851 2.668 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -9.563 2.283 2.771 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -14.429 1.584 2.948 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -10.467 0.017 3.044 1.00 0.71 H new ATOM 0 HH TYR A 84 -12.268 -1.238 3.290 1.00 0.95 H new ATOM 1345 N PHE A 85 -8.986 4.682 4.896 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.238 4.040 5.969 1.00 0.27 C ATOM 1347 C PHE A 85 -8.361 4.837 7.258 1.00 0.28 C ATOM 1348 O PHE A 85 -8.503 4.269 8.341 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.771 3.865 5.573 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.554 2.707 4.643 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -6.881 2.804 3.300 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.040 1.515 5.118 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.697 1.732 2.450 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.851 0.439 4.272 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.183 0.547 2.938 1.00 0.29 C ATOM 0 H PHE A 85 -8.410 5.055 4.142 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.662 3.051 6.141 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.416 4.779 5.097 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.171 3.721 6.472 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.284 3.729 2.914 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.783 1.424 6.163 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -6.955 1.820 1.405 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.444 -0.485 4.655 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.041 -0.294 2.276 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.334 6.155 7.123 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.497 7.059 8.256 1.00 0.29 C ATOM 1367 C HIS A 86 -9.841 6.824 8.950 1.00 0.31 C ATOM 1368 O HIS A 86 -9.928 6.815 10.180 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.378 8.508 7.768 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.595 9.550 8.822 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.677 10.391 8.781 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -7.825 9.874 9.885 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -9.541 11.207 9.809 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -8.430 10.937 10.511 1.00 0.85 N ATOM 0 H HIS A 86 -8.199 6.628 6.229 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.712 6.864 8.987 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.387 8.650 7.336 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.100 8.667 6.967 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -6.908 9.389 10.185 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -10.238 11.995 10.055 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -8.100 11.424 11.344 1.00 0.85 H new ATOM 1382 N SER A 87 -10.885 6.628 8.159 1.00 0.29 N ATOM 1383 CA SER A 87 -12.203 6.334 8.698 1.00 0.35 C ATOM 1384 C SER A 87 -12.228 4.934 9.313 1.00 0.41 C ATOM 1385 O SER A 87 -12.915 4.690 10.308 1.00 0.48 O ATOM 1386 CB SER A 87 -13.265 6.461 7.603 1.00 0.36 C ATOM 1387 OG SER A 87 -14.575 6.405 8.147 1.00 1.31 O ATOM 0 H SER A 87 -10.844 6.667 7.141 1.00 0.29 H new ATOM 0 HA SER A 87 -12.428 7.057 9.482 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.130 7.402 7.070 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.137 5.661 6.874 1.00 0.36 H new ATOM 0 HG SER A 87 -15.233 6.490 7.426 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.441 4.029 8.740 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.377 2.648 9.208 1.00 0.46 C ATOM 1395 C ARG A 88 -10.368 2.520 10.356 1.00 0.48 C ATOM 1396 O ARG A 88 -9.810 1.450 10.592 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.993 1.716 8.054 1.00 0.49 C ATOM 1398 CG ARG A 88 -11.399 0.264 8.263 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.897 0.075 8.108 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.303 -1.323 8.267 1.00 1.92 N ATOM 1401 CZ ARG A 88 -13.884 -2.041 7.302 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -14.051 -1.520 6.092 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -14.289 -3.284 7.543 1.00 3.55 N ATOM 0 H ARG A 88 -10.834 4.229 7.945 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.361 2.359 9.578 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -11.455 2.082 7.137 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -9.914 1.762 7.908 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -10.876 -0.368 7.545 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -11.092 -0.061 9.257 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.416 0.687 8.846 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -13.205 0.430 7.125 1.00 1.21 H new ATOM 0 HE ARG A 88 -13.132 -1.774 9.166 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -13.735 -0.570 5.898 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -14.495 -2.070 5.357 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -14.157 -3.693 8.468 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -14.732 -3.828 6.803 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.118 3.641 11.032 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.327 3.678 12.270 1.00 0.47 C ATOM 1419 C ASN A 89 -7.835 3.503 12.031 1.00 0.48 C ATOM 1420 O ASN A 89 -7.095 3.175 12.958 1.00 0.67 O ATOM 1421 CB ASN A 89 -9.808 2.627 13.284 1.00 0.55 C ATOM 1422 CG ASN A 89 -11.056 3.043 14.040 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -11.913 3.824 13.406 1.00 1.45 O flip ATOM 1424 ND2 ASN A 89 -11.248 2.656 15.190 1.00 1.98 N flip ATOM 0 H ASN A 89 -10.459 4.556 10.738 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.484 4.675 12.682 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -10.005 1.692 12.760 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.009 2.430 13.998 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -10.563 2.054 15.646 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -12.092 2.937 15.688 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.376 3.730 10.813 1.00 0.39 N ATOM 1432 CA TYR A 90 -5.948 3.689 10.547 1.00 0.38 C ATOM 1433 C TYR A 90 -5.491 4.956 9.837 1.00 0.32 C ATOM 1434 O TYR A 90 -5.615 5.082 8.620 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.557 2.459 9.722 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.061 2.350 9.519 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.236 1.900 10.543 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.470 2.725 8.318 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -1.867 1.828 10.376 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.102 2.649 8.143 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.305 2.204 9.175 1.00 0.45 C ATOM 1442 OH TYR A 90 0.058 2.147 9.009 1.00 0.52 O ATOM 0 H TYR A 90 -7.960 3.941 10.004 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.446 3.622 11.512 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -5.919 1.560 10.221 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.050 2.505 8.751 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -3.673 1.602 11.485 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.090 3.081 7.509 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.240 1.479 11.183 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -1.659 2.937 7.201 1.00 0.46 H new ATOM 0 HH TYR A 90 0.356 1.215 9.069 1.00 0.52 H new ATOM 1452 N PRO A 91 -4.959 5.920 10.596 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.422 7.151 10.027 1.00 0.33 C ATOM 1454 C PRO A 91 -3.079 6.909 9.338 1.00 0.33 C ATOM 1455 O PRO A 91 -2.140 6.384 9.945 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.264 8.063 11.245 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.064 7.134 12.395 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.838 5.884 12.065 1.00 0.41 C ATOM 0 HA PRO A 91 -5.065 7.576 9.256 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.414 8.736 11.128 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -5.146 8.686 11.389 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -3.006 6.911 12.536 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.422 7.580 13.323 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.314 4.989 12.401 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.816 5.881 12.547 1.00 0.41 H new ATOM 1466 N LEU A 92 -2.997 7.274 8.068 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.785 7.063 7.287 1.00 0.35 C ATOM 1468 C LEU A 92 -0.669 7.998 7.735 1.00 0.38 C ATOM 1469 O LEU A 92 -0.859 9.208 7.853 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.068 7.262 5.797 1.00 0.36 C ATOM 1471 CG LEU A 92 -2.901 6.159 5.142 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.121 6.457 3.671 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.219 4.813 5.307 1.00 0.45 C ATOM 0 H LEU A 92 -3.757 7.719 7.554 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.457 6.037 7.453 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.584 8.213 5.665 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.117 7.340 5.270 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.872 6.124 5.637 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.716 5.661 3.223 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.648 7.406 3.567 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.158 6.519 3.164 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.824 4.038 4.836 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.236 4.843 4.836 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.106 4.590 6.368 1.00 0.45 H new ATOM 1485 N LYS A 93 0.500 7.411 7.982 1.00 0.41 N ATOM 1486 CA LYS A 93 1.669 8.162 8.429 1.00 0.46 C ATOM 1487 C LYS A 93 2.202 9.025 7.290 1.00 0.44 C ATOM 1488 O LYS A 93 2.661 10.145 7.498 1.00 0.47 O ATOM 1489 CB LYS A 93 2.778 7.205 8.884 1.00 0.54 C ATOM 1490 CG LYS A 93 2.281 5.921 9.530 1.00 0.73 C ATOM 1491 CD LYS A 93 3.442 5.024 9.928 1.00 0.75 C ATOM 1492 CE LYS A 93 2.986 3.610 10.250 1.00 1.45 C ATOM 1493 NZ LYS A 93 1.989 3.567 11.354 1.00 1.99 N ATOM 0 H LYS A 93 0.662 6.409 7.879 1.00 0.41 H new ATOM 0 HA LYS A 93 1.369 8.794 9.265 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.394 6.948 8.022 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.422 7.727 9.592 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.684 6.160 10.410 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.628 5.390 8.837 1.00 0.73 H new ATOM 0 HD2 LYS A 93 4.171 4.994 9.118 1.00 0.75 H new ATOM 0 HD3 LYS A 93 3.947 5.448 10.796 1.00 0.75 H new ATOM 0 HE2 LYS A 93 2.553 3.160 9.357 1.00 1.45 H new ATOM 0 HE3 LYS A 93 3.852 3.007 10.524 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 1.775 2.577 11.590 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.377 4.047 12.191 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 1.117 4.047 11.053 1.00 1.99 H new ATOM 1507 N PHE A 94 2.135 8.478 6.086 1.00 0.42 N ATOM 1508 CA PHE A 94 2.624 9.152 4.888 1.00 0.43 C ATOM 1509 C PHE A 94 1.641 8.959 3.736 1.00 0.42 C ATOM 1510 O PHE A 94 1.929 8.246 2.781 1.00 0.45 O ATOM 1511 CB PHE A 94 4.009 8.612 4.486 1.00 0.49 C ATOM 1512 CG PHE A 94 4.438 7.385 5.247 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.764 6.184 5.088 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.517 7.435 6.114 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.158 5.056 5.784 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.915 6.311 6.812 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.235 5.120 6.647 1.00 0.56 C ATOM 0 H PHE A 94 1.740 7.554 5.909 1.00 0.42 H new ATOM 0 HA PHE A 94 2.714 10.216 5.108 1.00 0.43 H new ATOM 0 HB2 PHE A 94 4.001 8.381 3.421 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.750 9.397 4.637 1.00 0.49 H new ATOM 0 HD1 PHE A 94 2.922 6.129 4.413 1.00 0.53 H new ATOM 0 HD2 PHE A 94 6.053 8.363 6.246 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.625 4.126 5.653 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.757 6.364 7.486 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.545 4.240 7.192 1.00 0.56 H new ATOM 1527 N PRO A 95 0.458 9.587 3.811 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.581 9.437 2.784 1.00 0.53 C ATOM 1529 C PRO A 95 -0.210 10.108 1.465 1.00 0.52 C ATOM 1530 O PRO A 95 -0.858 9.894 0.438 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.795 10.111 3.418 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.225 11.115 4.357 1.00 0.63 C ATOM 1533 CD PRO A 95 0.037 10.501 4.891 1.00 0.54 C ATOM 0 HA PRO A 95 -0.746 8.393 2.518 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.422 10.586 2.664 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.420 9.388 3.943 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.017 12.055 3.846 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -1.924 11.338 5.163 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.795 11.256 5.096 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.140 9.966 5.824 1.00 0.54 H new ATOM 1541 N GLN A 96 0.849 10.907 1.495 1.00 0.48 N ATOM 1542 CA GLN A 96 1.303 11.627 0.313 1.00 0.50 C ATOM 1543 C GLN A 96 2.209 10.767 -0.565 1.00 0.54 C ATOM 1544 O GLN A 96 2.807 11.263 -1.515 1.00 0.62 O ATOM 1545 CB GLN A 96 2.023 12.916 0.713 1.00 0.53 C ATOM 1546 CG GLN A 96 1.078 14.059 1.042 1.00 1.09 C ATOM 1547 CD GLN A 96 0.260 14.493 -0.163 1.00 1.86 C ATOM 1548 OE1 GLN A 96 0.708 14.381 -1.304 1.00 2.61 O ATOM 1549 NE2 GLN A 96 -0.934 15.004 0.078 1.00 2.52 N ATOM 0 H GLN A 96 1.412 11.073 2.329 1.00 0.48 H new ATOM 0 HA GLN A 96 0.419 11.880 -0.272 1.00 0.50 H new ATOM 0 HB2 GLN A 96 2.655 12.717 1.578 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.682 13.222 -0.099 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.406 13.753 1.844 1.00 1.09 H new ATOM 0 HG3 GLN A 96 1.652 14.908 1.414 1.00 1.09 H new ATOM 0 HE21 GLN A 96 -1.272 15.081 1.037 1.00 2.52 H new ATOM 0 HE22 GLN A 96 -1.518 15.322 -0.695 1.00 2.52 H new ATOM 1558 N LEU A 97 2.309 9.483 -0.255 1.00 0.54 N ATOM 1559 CA LEU A 97 3.078 8.579 -1.093 1.00 0.67 C ATOM 1560 C LEU A 97 2.168 7.927 -2.128 1.00 0.73 C ATOM 1561 O LEU A 97 0.977 7.712 -1.877 1.00 1.41 O ATOM 1562 CB LEU A 97 3.833 7.530 -0.243 1.00 0.84 C ATOM 1563 CG LEU A 97 2.993 6.539 0.581 1.00 1.07 C ATOM 1564 CD1 LEU A 97 2.394 5.452 -0.295 1.00 1.56 C ATOM 1565 CD2 LEU A 97 3.851 5.915 1.666 1.00 1.50 C ATOM 0 H LEU A 97 1.874 9.049 0.559 1.00 0.54 H new ATOM 0 HA LEU A 97 3.836 9.154 -1.625 1.00 0.67 H new ATOM 0 HB2 LEU A 97 4.472 6.953 -0.912 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.490 8.064 0.443 1.00 0.84 H new ATOM 0 HG LEU A 97 2.171 7.092 1.036 1.00 1.07 H new ATOM 0 HD11 LEU A 97 1.807 4.770 0.321 1.00 1.56 H new ATOM 0 HD12 LEU A 97 1.750 5.906 -1.048 1.00 1.56 H new ATOM 0 HD13 LEU A 97 3.194 4.899 -0.787 1.00 1.56 H new ATOM 0 HD21 LEU A 97 3.251 5.214 2.246 1.00 1.50 H new ATOM 0 HD22 LEU A 97 4.687 5.385 1.209 1.00 1.50 H new ATOM 0 HD23 LEU A 97 4.232 6.697 2.323 1.00 1.50 H new ATOM 1577 N HIS A 98 2.726 7.663 -3.302 1.00 0.47 N ATOM 1578 CA HIS A 98 1.999 7.005 -4.380 1.00 0.43 C ATOM 1579 C HIS A 98 1.529 5.624 -3.945 1.00 0.49 C ATOM 1580 O HIS A 98 2.329 4.785 -3.525 1.00 0.89 O ATOM 1581 CB HIS A 98 2.886 6.891 -5.620 1.00 0.49 C ATOM 1582 CG HIS A 98 3.284 8.215 -6.192 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.174 9.040 -5.546 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.864 8.817 -7.324 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.268 10.124 -6.297 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.493 10.032 -7.386 1.00 0.51 N ATOM 0 H HIS A 98 3.691 7.898 -3.534 1.00 0.47 H new ATOM 0 HA HIS A 98 1.124 7.607 -4.624 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.785 6.330 -5.364 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.359 6.318 -6.383 1.00 0.49 H new ATOM 0 HD2 HIS A 98 2.165 8.417 -8.044 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.890 10.975 -6.063 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.391 10.732 -8.120 1.00 0.51 H new ATOM 1594 N CYS A 99 0.225 5.405 -4.043 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.388 4.157 -3.612 1.00 0.36 C ATOM 1596 C CYS A 99 0.085 2.984 -4.457 1.00 0.34 C ATOM 1597 O CYS A 99 0.495 3.156 -5.607 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.904 4.272 -3.704 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.580 5.682 -2.809 1.00 0.55 S ATOM 0 H CYS A 99 -0.435 6.084 -4.422 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.090 3.974 -2.580 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.191 4.348 -4.753 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.353 3.358 -3.316 1.00 0.44 H new ATOM 0 HG CYS A 99 -3.844 5.485 -2.579 1.00 0.55 H new ATOM 1605 N LEU A 100 0.013 1.796 -3.876 1.00 0.25 N ATOM 1606 CA LEU A 100 0.432 0.581 -4.548 1.00 0.24 C ATOM 1607 C LEU A 100 -0.555 0.230 -5.646 1.00 0.23 C ATOM 1608 O LEU A 100 -1.761 0.238 -5.413 1.00 0.31 O ATOM 1609 CB LEU A 100 0.517 -0.567 -3.545 1.00 0.30 C ATOM 1610 CG LEU A 100 1.178 -1.834 -4.070 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.655 -1.586 -4.322 1.00 0.32 C ATOM 1612 CD2 LEU A 100 0.984 -2.984 -3.095 1.00 0.47 C ATOM 0 H LEU A 100 -0.337 1.650 -2.929 1.00 0.25 H new ATOM 0 HA LEU A 100 1.415 0.743 -4.990 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.068 -0.224 -2.669 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.491 -0.813 -3.211 1.00 0.30 H new ATOM 0 HG LEU A 100 0.706 -2.109 -5.013 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.118 -2.498 -4.697 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.770 -0.791 -5.059 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.138 -1.290 -3.391 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.464 -3.880 -3.489 1.00 0.47 H new ATOM 0 HD22 LEU A 100 1.430 -2.726 -2.135 1.00 0.47 H new ATOM 0 HD23 LEU A 100 -0.081 -3.172 -2.961 1.00 0.47 H new ATOM 1624 N ASN A 101 -0.045 -0.066 -6.835 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.893 -0.436 -7.959 1.00 0.22 C ATOM 1626 C ASN A 101 -0.853 -1.942 -8.173 1.00 0.22 C ATOM 1627 O ASN A 101 0.085 -2.485 -8.785 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.463 0.294 -9.233 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.339 -0.046 -10.427 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.517 -0.362 -10.281 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -0.766 0.029 -11.621 1.00 1.06 N ATOM 0 H ASN A 101 0.953 -0.057 -7.045 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.916 -0.139 -7.728 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.494 1.370 -9.059 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.572 0.038 -9.462 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.307 -0.180 -12.460 1.00 1.06 H new ATOM 0 HD22 ASN A 101 0.215 0.295 -11.700 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.865 -2.608 -7.635 1.00 0.25 N ATOM 1639 CA VAL A 102 -2.003 -4.051 -7.745 1.00 0.32 C ATOM 1640 C VAL A 102 -3.423 -4.424 -8.157 1.00 0.38 C ATOM 1641 O VAL A 102 -4.229 -3.555 -8.500 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.650 -4.760 -6.418 1.00 0.35 C ATOM 1643 CG1 VAL A 102 -0.156 -4.711 -6.165 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.399 -4.139 -5.249 1.00 0.32 C ATOM 0 H VAL A 102 -2.615 -2.160 -7.109 1.00 0.25 H new ATOM 0 HA VAL A 102 -1.302 -4.384 -8.511 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.957 -5.802 -6.507 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.071 -5.216 -5.226 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.368 -5.210 -6.981 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.169 -3.672 -6.106 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -2.131 -4.658 -4.329 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -2.131 -3.086 -5.163 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.472 -4.228 -5.416 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.728 -5.713 -8.123 1.00 0.50 N ATOM 1655 CA GLY A 103 -5.045 -6.175 -8.510 1.00 0.60 C ATOM 1656 C GLY A 103 -5.072 -6.629 -9.952 1.00 0.69 C ATOM 1657 O GLY A 103 -4.791 -7.789 -10.247 1.00 0.82 O ATOM 0 H GLY A 103 -3.084 -6.449 -7.833 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -5.348 -6.998 -7.863 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.770 -5.373 -8.366 1.00 0.60 H new ATOM 1661 N SER A 104 -5.393 -5.714 -10.852 1.00 0.69 N ATOM 1662 CA SER A 104 -5.382 -6.006 -12.275 1.00 0.79 C ATOM 1663 C SER A 104 -5.112 -4.734 -13.071 1.00 0.82 C ATOM 1664 O SER A 104 -4.944 -3.662 -12.487 1.00 0.75 O ATOM 1665 CB SER A 104 -6.701 -6.662 -12.707 1.00 0.95 C ATOM 1666 OG SER A 104 -7.823 -5.904 -12.287 1.00 1.63 O ATOM 0 H SER A 104 -5.665 -4.759 -10.620 1.00 0.69 H new ATOM 0 HA SER A 104 -4.579 -6.714 -12.480 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.718 -6.767 -13.792 1.00 0.95 H new ATOM 0 HB3 SER A 104 -6.763 -7.667 -12.289 1.00 0.95 H new ATOM 0 HG SER A 104 -7.517 -5.089 -11.836 1.00 1.63 H new ATOM 1672 N SER A 105 -5.064 -4.845 -14.387 1.00 0.99 N ATOM 1673 CA SER A 105 -4.765 -3.699 -15.231 1.00 1.12 C ATOM 1674 C SER A 105 -5.966 -2.763 -15.320 1.00 1.19 C ATOM 1675 O SER A 105 -5.836 -1.548 -15.163 1.00 1.31 O ATOM 1676 CB SER A 105 -4.362 -4.175 -16.627 1.00 1.36 C ATOM 1677 OG SER A 105 -3.331 -5.150 -16.551 1.00 1.63 O ATOM 0 H SER A 105 -5.228 -5.715 -14.894 1.00 0.99 H new ATOM 0 HA SER A 105 -3.936 -3.147 -14.787 1.00 1.12 H new ATOM 0 HB2 SER A 105 -5.229 -4.595 -17.137 1.00 1.36 H new ATOM 0 HB3 SER A 105 -4.023 -3.327 -17.221 1.00 1.36 H new ATOM 0 HG SER A 105 -3.090 -5.442 -17.455 1.00 1.63 H new ATOM 1683 N ILE A 106 -7.137 -3.342 -15.558 1.00 1.22 N ATOM 1684 CA ILE A 106 -8.358 -2.561 -15.704 1.00 1.35 C ATOM 1685 C ILE A 106 -8.924 -2.185 -14.339 1.00 1.21 C ATOM 1686 O ILE A 106 -9.279 -1.028 -14.098 1.00 1.38 O ATOM 1687 CB ILE A 106 -9.422 -3.334 -16.507 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -8.809 -3.859 -17.808 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -10.617 -2.439 -16.798 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -9.769 -4.659 -18.664 1.00 2.18 C ATOM 0 H ILE A 106 -7.266 -4.349 -15.654 1.00 1.22 H new ATOM 0 HA ILE A 106 -8.101 -1.652 -16.249 1.00 1.35 H new ATOM 0 HB ILE A 106 -9.769 -4.182 -15.917 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -8.438 -3.015 -18.389 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -7.948 -4.483 -17.566 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -11.361 -2.998 -17.366 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -11.056 -2.101 -15.859 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -10.292 -1.575 -17.378 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -9.258 -4.995 -19.567 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -10.122 -5.525 -18.103 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -10.619 -4.034 -18.939 1.00 2.18 H new ATOM 1702 N LYS A 107 -9.011 -3.164 -13.448 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.454 -2.907 -12.083 1.00 0.86 C ATOM 1704 C LYS A 107 -8.251 -2.820 -11.153 1.00 0.69 C ATOM 1705 O LYS A 107 -7.769 -3.830 -10.632 1.00 0.64 O ATOM 1706 CB LYS A 107 -10.439 -3.982 -11.601 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.864 -3.814 -10.147 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.964 -4.789 -9.763 1.00 1.01 C ATOM 1709 CE LYS A 107 -12.262 -4.734 -8.270 1.00 1.00 C ATOM 1710 NZ LYS A 107 -13.480 -5.509 -7.915 1.00 1.41 N ATOM 0 H LYS A 107 -8.782 -4.139 -13.644 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.981 -1.953 -12.069 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -11.326 -3.960 -12.235 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.982 -4.964 -11.726 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -10.002 -3.964 -9.497 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.211 -2.793 -9.986 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.869 -4.558 -10.325 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -11.667 -5.801 -10.039 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -11.409 -5.126 -7.716 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -12.391 -3.696 -7.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -13.646 -5.445 -6.890 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -14.300 -5.120 -8.424 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -13.348 -6.505 -8.182 1.00 1.41 H new ATOM 1724 N SER A 108 -7.755 -1.612 -10.970 1.00 0.64 N ATOM 1725 CA SER A 108 -6.603 -1.382 -10.124 1.00 0.52 C ATOM 1726 C SER A 108 -7.045 -1.095 -8.697 1.00 0.44 C ATOM 1727 O SER A 108 -8.049 -0.413 -8.477 1.00 0.46 O ATOM 1728 CB SER A 108 -5.797 -0.204 -10.670 1.00 0.55 C ATOM 1729 OG SER A 108 -5.621 -0.327 -12.074 1.00 1.25 O ATOM 0 H SER A 108 -8.136 -0.769 -11.400 1.00 0.64 H new ATOM 0 HA SER A 108 -5.979 -2.276 -10.120 1.00 0.52 H new ATOM 0 HB2 SER A 108 -6.309 0.731 -10.443 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.825 -0.162 -10.178 1.00 0.55 H new ATOM 0 HG SER A 108 -5.104 0.436 -12.407 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.316 -1.629 -7.737 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.576 -1.338 -6.341 1.00 0.33 C ATOM 1737 C ILE A 109 -5.372 -0.638 -5.736 1.00 0.30 C ATOM 1738 O ILE A 109 -4.232 -1.086 -5.898 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.913 -2.605 -5.521 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.821 -3.664 -5.685 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.268 -3.160 -5.936 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.970 -4.859 -4.765 1.00 0.44 C ATOM 0 H ILE A 109 -5.537 -2.268 -7.899 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.451 -0.689 -6.301 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.961 -2.330 -4.467 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.821 -4.013 -6.718 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.851 -3.200 -5.505 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.491 -4.052 -5.350 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -9.038 -2.409 -5.761 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.247 -3.418 -6.995 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -5.156 -5.561 -4.946 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.938 -4.526 -3.728 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.923 -5.351 -4.959 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.626 0.474 -5.072 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.563 1.269 -4.485 1.00 0.29 C ATOM 1756 C LEU A 110 -4.448 0.975 -3.001 1.00 0.25 C ATOM 1757 O LEU A 110 -5.404 1.150 -2.250 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.821 2.764 -4.702 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.512 3.307 -6.104 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.433 2.710 -7.158 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -4.625 4.819 -6.107 1.00 1.32 C ATOM 0 H LEU A 110 -6.563 0.849 -4.925 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.627 1.003 -4.975 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.868 2.967 -4.479 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.227 3.323 -3.979 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.492 3.016 -6.357 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.181 3.120 -8.136 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.311 1.627 -7.177 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.468 2.954 -6.918 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.405 5.198 -7.105 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -5.637 5.109 -5.824 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.915 5.238 -5.394 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.276 0.536 -2.581 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.068 0.147 -1.195 1.00 0.23 C ATOM 1775 C LEU A 111 -1.857 0.866 -0.612 1.00 0.24 C ATOM 1776 O LEU A 111 -0.892 1.147 -1.323 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.868 -1.371 -1.105 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.052 -2.221 -1.582 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.700 -3.703 -1.552 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.284 -1.949 -0.728 1.00 0.28 C ATOM 0 H LEU A 111 -2.454 0.439 -3.177 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.949 0.429 -0.618 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -1.990 -1.640 -1.692 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.650 -1.631 -0.069 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.277 -1.944 -2.612 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.554 -4.287 -1.894 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.848 -3.888 -2.207 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.445 -3.996 -0.534 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.114 -2.561 -1.081 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.068 -2.196 0.311 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.553 -0.895 -0.802 1.00 0.28 H new ATOM 1792 N PRO A 112 -1.903 1.209 0.683 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.743 1.747 1.393 1.00 0.32 C ATOM 1794 C PRO A 112 0.385 0.733 1.432 1.00 0.28 C ATOM 1795 O PRO A 112 0.254 -0.333 2.038 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.263 2.032 2.806 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.508 1.224 2.935 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.085 1.108 1.551 1.00 0.36 C ATOM 0 HA PRO A 112 -0.336 2.635 0.910 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.529 1.748 3.560 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.467 3.094 2.944 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -2.291 0.239 3.349 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.215 1.705 3.611 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.607 0.162 1.411 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -3.803 1.902 1.347 1.00 0.36 H new ATOM 1806 N ILE A 113 1.486 1.062 0.765 1.00 0.27 N ATOM 1807 CA ILE A 113 2.650 0.186 0.714 1.00 0.28 C ATOM 1808 C ILE A 113 3.173 -0.099 2.129 1.00 0.26 C ATOM 1809 O ILE A 113 3.844 -1.096 2.366 1.00 0.29 O ATOM 1810 CB ILE A 113 3.761 0.772 -0.200 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.947 -0.187 -0.289 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.213 2.146 0.285 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.990 0.239 -1.294 1.00 0.69 C ATOM 0 H ILE A 113 1.596 1.935 0.249 1.00 0.27 H new ATOM 0 HA ILE A 113 2.342 -0.762 0.273 1.00 0.28 H new ATOM 0 HB ILE A 113 3.340 0.895 -1.198 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.412 -0.269 0.693 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.583 -1.180 -0.553 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.991 2.528 -0.376 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.365 2.831 0.281 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.607 2.063 1.298 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.803 -0.487 -1.305 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.539 0.294 -2.285 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.382 1.218 -1.019 1.00 0.69 H new ATOM 1825 N GLU A 114 2.834 0.782 3.064 1.00 0.27 N ATOM 1826 CA GLU A 114 3.123 0.581 4.482 1.00 0.34 C ATOM 1827 C GLU A 114 2.479 -0.716 5.012 1.00 0.33 C ATOM 1828 O GLU A 114 3.084 -1.446 5.797 1.00 0.42 O ATOM 1829 CB GLU A 114 2.626 1.815 5.255 1.00 0.38 C ATOM 1830 CG GLU A 114 2.084 1.541 6.653 1.00 0.45 C ATOM 1831 CD GLU A 114 3.130 1.037 7.641 1.00 1.16 C ATOM 1832 OE1 GLU A 114 4.309 0.894 7.259 1.00 1.74 O ATOM 1833 OE2 GLU A 114 2.766 0.772 8.810 1.00 1.77 O ATOM 0 H GLU A 114 2.351 1.657 2.861 1.00 0.27 H new ATOM 0 HA GLU A 114 4.198 0.468 4.625 1.00 0.34 H new ATOM 0 HB2 GLU A 114 3.448 2.526 5.336 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.844 2.298 4.669 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.642 2.457 7.045 1.00 0.45 H new ATOM 0 HG3 GLU A 114 1.283 0.805 6.582 1.00 0.45 H new ATOM 1840 N LEU A 115 1.272 -1.024 4.554 1.00 0.27 N ATOM 1841 CA LEU A 115 0.576 -2.233 4.996 1.00 0.31 C ATOM 1842 C LEU A 115 0.961 -3.408 4.119 1.00 0.26 C ATOM 1843 O LEU A 115 0.492 -4.532 4.312 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.941 -2.036 4.963 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.486 -0.944 5.885 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.977 -0.776 5.675 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.200 -1.270 7.342 1.00 0.80 C ATOM 0 H LEU A 115 0.754 -0.459 3.881 1.00 0.27 H new ATOM 0 HA LEU A 115 0.874 -2.438 6.024 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.237 -1.804 3.940 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.418 -2.980 5.226 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.983 -0.009 5.637 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.352 0.004 6.337 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -3.169 -0.496 4.639 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.484 -1.715 5.897 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.598 -0.478 7.977 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.674 -2.216 7.603 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.123 -1.349 7.492 1.00 0.80 H new ATOM 1859 N CYS A 116 1.820 -3.134 3.157 1.00 0.23 N ATOM 1860 CA CYS A 116 2.353 -4.161 2.296 1.00 0.24 C ATOM 1861 C CYS A 116 3.704 -4.596 2.836 1.00 0.24 C ATOM 1862 O CYS A 116 4.469 -3.782 3.351 1.00 0.37 O ATOM 1863 CB CYS A 116 2.481 -3.630 0.870 1.00 0.25 C ATOM 1864 SG CYS A 116 0.966 -2.857 0.257 1.00 0.28 S ATOM 0 H CYS A 116 2.165 -2.196 2.954 1.00 0.23 H new ATOM 0 HA CYS A 116 1.682 -5.020 2.275 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.293 -2.904 0.832 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.756 -4.451 0.207 1.00 0.25 H new ATOM 0 HG CYS A 116 0.666 -1.837 1.005 1.00 0.28 H new ATOM 1870 N SER A 117 3.984 -5.875 2.755 1.00 0.22 N ATOM 1871 CA SER A 117 5.213 -6.404 3.305 1.00 0.25 C ATOM 1872 C SER A 117 5.813 -7.445 2.363 1.00 0.27 C ATOM 1873 O SER A 117 5.124 -8.355 1.907 1.00 0.35 O ATOM 1874 CB SER A 117 4.919 -6.971 4.695 1.00 0.27 C ATOM 1875 OG SER A 117 5.982 -7.763 5.175 1.00 0.34 O ATOM 0 H SER A 117 3.380 -6.569 2.315 1.00 0.22 H new ATOM 0 HA SER A 117 5.958 -5.615 3.407 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.734 -6.152 5.390 1.00 0.27 H new ATOM 0 HB3 SER A 117 4.008 -7.569 4.658 1.00 0.27 H new ATOM 0 HG SER A 117 5.709 -8.208 6.004 1.00 0.34 H new ATOM 1881 N ILE A 118 7.094 -7.291 2.060 1.00 0.23 N ATOM 1882 CA ILE A 118 7.751 -8.103 1.048 1.00 0.22 C ATOM 1883 C ILE A 118 8.018 -9.519 1.543 1.00 0.24 C ATOM 1884 O ILE A 118 8.668 -9.725 2.569 1.00 0.28 O ATOM 1885 CB ILE A 118 9.074 -7.448 0.592 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.778 -6.170 -0.192 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.918 -8.407 -0.238 1.00 0.25 C ATOM 1888 CD1 ILE A 118 10.007 -5.531 -0.797 1.00 0.50 C ATOM 0 H ILE A 118 7.703 -6.605 2.506 1.00 0.23 H new ATOM 0 HA ILE A 118 7.072 -8.165 0.198 1.00 0.22 H new ATOM 0 HB ILE A 118 9.652 -7.195 1.481 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.069 -6.398 -0.988 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.294 -5.452 0.470 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.840 -7.911 -0.541 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.158 -9.288 0.357 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.360 -8.708 -1.125 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.719 -4.629 -1.338 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.709 -5.271 -0.005 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.480 -6.232 -1.485 1.00 0.50 H new ATOM 1900 N GLU A 119 7.514 -10.491 0.798 1.00 0.35 N ATOM 1901 CA GLU A 119 7.708 -11.890 1.135 1.00 0.49 C ATOM 1902 C GLU A 119 8.885 -12.466 0.350 1.00 0.52 C ATOM 1903 O GLU A 119 9.027 -12.219 -0.850 1.00 0.63 O ATOM 1904 CB GLU A 119 6.437 -12.689 0.841 1.00 0.72 C ATOM 1905 CG GLU A 119 6.538 -14.156 1.231 1.00 1.01 C ATOM 1906 CD GLU A 119 5.325 -14.961 0.819 1.00 1.60 C ATOM 1907 OE1 GLU A 119 5.277 -15.408 -0.346 1.00 2.30 O ATOM 1908 OE2 GLU A 119 4.424 -15.160 1.661 1.00 1.77 O ATOM 0 H GLU A 119 6.965 -10.334 -0.047 1.00 0.35 H new ATOM 0 HA GLU A 119 7.928 -11.963 2.200 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.601 -12.236 1.375 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.211 -12.619 -0.223 1.00 0.72 H new ATOM 0 HG2 GLU A 119 7.427 -14.588 0.772 1.00 1.01 H new ATOM 0 HG3 GLU A 119 6.668 -14.231 2.311 1.00 1.01 H new ATOM 1915 N GLU A 120 9.708 -13.247 1.041 1.00 0.67 N ATOM 1916 CA GLU A 120 10.905 -13.852 0.458 1.00 0.86 C ATOM 1917 C GLU A 120 10.557 -14.921 -0.586 1.00 1.01 C ATOM 1918 O GLU A 120 11.440 -15.415 -1.289 1.00 1.25 O ATOM 1919 CB GLU A 120 11.778 -14.463 1.558 1.00 1.16 C ATOM 1920 CG GLU A 120 11.086 -15.561 2.344 1.00 1.77 C ATOM 1921 CD GLU A 120 11.974 -16.172 3.407 1.00 2.40 C ATOM 1922 OE1 GLU A 120 12.868 -16.973 3.055 1.00 2.91 O ATOM 1923 OE2 GLU A 120 11.784 -15.858 4.599 1.00 2.64 O ATOM 0 H GLU A 120 9.566 -13.480 2.024 1.00 0.67 H new ATOM 0 HA GLU A 120 11.457 -13.060 -0.049 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.685 -14.866 1.108 1.00 1.16 H new ATOM 0 HB3 GLU A 120 12.086 -13.675 2.245 1.00 1.16 H new ATOM 0 HG2 GLU A 120 10.191 -15.155 2.815 1.00 1.77 H new ATOM 0 HG3 GLU A 120 10.759 -16.342 1.657 1.00 1.77 H new ATOM 1930 N GLY A 121 9.275 -15.285 -0.653 1.00 1.21 N ATOM 1931 CA GLY A 121 8.816 -16.346 -1.543 1.00 1.69 C ATOM 1932 C GLY A 121 9.319 -16.218 -2.974 1.00 1.92 C ATOM 1933 O GLY A 121 9.723 -17.211 -3.579 1.00 2.32 O ATOM 0 H GLY A 121 8.535 -14.856 -0.097 1.00 1.21 H new ATOM 0 HA2 GLY A 121 9.137 -17.307 -1.141 1.00 1.69 H new ATOM 0 HA3 GLY A 121 7.726 -16.352 -1.552 1.00 1.69 H new ATOM 1937 N GLN A 122 9.284 -15.013 -3.529 1.00 1.94 N ATOM 1938 CA GLN A 122 9.806 -14.788 -4.868 1.00 2.41 C ATOM 1939 C GLN A 122 11.303 -14.532 -4.832 1.00 2.41 C ATOM 1940 O GLN A 122 12.073 -15.182 -5.541 1.00 2.96 O ATOM 1941 CB GLN A 122 9.112 -13.602 -5.539 1.00 2.81 C ATOM 1942 CG GLN A 122 9.829 -13.170 -6.804 1.00 3.49 C ATOM 1943 CD GLN A 122 9.416 -11.804 -7.310 1.00 4.14 C ATOM 1944 OE1 GLN A 122 10.224 -11.082 -7.897 1.00 4.71 O ATOM 1945 NE2 GLN A 122 8.164 -11.434 -7.100 1.00 4.49 N ATOM 0 H GLN A 122 8.902 -14.183 -3.075 1.00 1.94 H new ATOM 0 HA GLN A 122 9.608 -15.691 -5.446 1.00 2.41 H new ATOM 0 HB2 GLN A 122 8.083 -13.871 -5.778 1.00 2.81 H new ATOM 0 HB3 GLN A 122 9.069 -12.765 -4.842 1.00 2.81 H new ATOM 0 HG2 GLN A 122 10.903 -13.168 -6.618 1.00 3.49 H new ATOM 0 HG3 GLN A 122 9.642 -13.907 -7.585 1.00 3.49 H new ATOM 0 HE21 GLN A 122 7.523 -12.058 -6.610 1.00 4.49 H new ATOM 0 HE22 GLN A 122 7.839 -10.524 -7.428 1.00 4.49 H new ATOM 1954 N ALA A 123 11.683 -13.584 -3.991 1.00 2.13 N ATOM 1955 CA ALA A 123 13.056 -13.091 -3.912 1.00 2.55 C ATOM 1956 C ALA A 123 13.461 -12.423 -5.224 1.00 2.98 C ATOM 1957 O ALA A 123 14.097 -13.082 -6.068 1.00 3.61 O ATOM 1958 CB ALA A 123 14.028 -14.208 -3.542 1.00 3.05 C ATOM 1959 OXT ALA A 123 13.121 -11.237 -5.417 1.00 3.25 O ATOM 0 H ALA A 123 11.046 -13.129 -3.337 1.00 2.13 H new ATOM 0 HA ALA A 123 13.101 -12.344 -3.119 1.00 2.55 H new ATOM 0 HB1 ALA A 123 15.040 -13.807 -3.492 1.00 3.05 H new ATOM 0 HB2 ALA A 123 13.753 -14.623 -2.572 1.00 3.05 H new ATOM 0 HB3 ALA A 123 13.985 -14.993 -4.298 1.00 3.05 H new TER 1965 ALA A 123 ATOM 1966 P DA B 204 -9.069 -6.096 0.404 1.00 0.77 P ATOM 1967 OP1 DA B 204 -7.835 -6.653 -0.211 1.00 1.08 O ATOM 1968 OP2 DA B 204 -9.100 -5.830 1.866 1.00 1.05 O ATOM 1969 O5' DA B 204 -9.460 -4.752 -0.357 1.00 0.97 O ATOM 1970 C5' DA B 204 -8.598 -4.172 -1.337 1.00 0.56 C ATOM 1971 C4' DA B 204 -9.276 -4.139 -2.686 1.00 0.56 C ATOM 1972 O4' DA B 204 -8.893 -5.334 -3.397 1.00 0.57 O ATOM 1973 C3' DA B 204 -10.807 -4.137 -2.655 1.00 0.57 C ATOM 1974 O3' DA B 204 -11.304 -2.855 -3.050 1.00 0.69 O ATOM 1975 C2' DA B 204 -11.232 -5.187 -3.672 1.00 0.60 C ATOM 1976 C1' DA B 204 -9.942 -5.751 -4.248 1.00 0.58 C ATOM 1977 N9 DA B 204 -9.898 -7.213 -4.302 1.00 0.64 N ATOM 1978 C8 DA B 204 -10.285 -8.099 -3.328 1.00 0.70 C ATOM 1979 N7 DA B 204 -10.157 -9.358 -3.677 1.00 0.79 N ATOM 1980 C5 DA B 204 -9.651 -9.294 -4.967 1.00 0.79 C ATOM 1981 C6 DA B 204 -9.292 -10.289 -5.894 1.00 0.90 C ATOM 1982 N6 DA B 204 -9.396 -11.597 -5.651 1.00 1.01 N ATOM 1983 N1 DA B 204 -8.818 -9.889 -7.093 1.00 0.91 N ATOM 1984 C2 DA B 204 -8.713 -8.575 -7.335 1.00 0.83 C ATOM 1985 N3 DA B 204 -9.019 -7.547 -6.549 1.00 0.72 N ATOM 1986 C4 DA B 204 -9.488 -7.979 -5.364 1.00 0.70 C ATOM 0 H5' DA B 204 -7.674 -4.746 -1.402 1.00 0.56 H new ATOM 0 H5'' DA B 204 -8.325 -3.161 -1.036 1.00 0.56 H new ATOM 0 H4' DA B 204 -8.962 -3.204 -3.149 1.00 0.56 H new ATOM 0 H3' DA B 204 -11.193 -4.349 -1.658 1.00 0.57 H new ATOM 0 H2' DA B 204 -11.825 -5.970 -3.201 1.00 0.60 H new ATOM 0 H2'' DA B 204 -11.850 -4.746 -4.454 1.00 0.60 H new ATOM 0 H1' DA B 204 -9.860 -5.389 -5.273 1.00 0.58 H new ATOM 0 H8 DA B 204 -10.660 -7.789 -2.364 1.00 0.70 H new ATOM 0 H61 DA B 204 -9.119 -12.272 -6.364 1.00 1.01 H new ATOM 0 H62 DA B 204 -9.752 -11.922 -4.752 1.00 1.01 H new ATOM 0 H2 DA B 204 -8.324 -8.314 -8.308 1.00 0.83 H new ATOM 1998 P DC B 205 -12.280 -2.022 -2.079 1.00 0.79 P ATOM 1999 OP1 DC B 205 -12.713 -2.902 -0.960 1.00 0.86 O ATOM 2000 OP2 DC B 205 -13.302 -1.372 -2.937 1.00 1.03 O ATOM 2001 O5' DC B 205 -11.346 -0.878 -1.480 1.00 0.91 O ATOM 2002 C5' DC B 205 -10.337 -1.182 -0.517 1.00 0.74 C ATOM 2003 C4' DC B 205 -9.002 -0.629 -0.961 1.00 0.52 C ATOM 2004 O4' DC B 205 -8.882 -0.773 -2.398 1.00 0.55 O ATOM 2005 C3' DC B 205 -8.789 0.857 -0.667 1.00 0.41 C ATOM 2006 O3' DC B 205 -7.430 1.108 -0.298 1.00 0.51 O ATOM 2007 C2' DC B 205 -9.119 1.524 -1.989 1.00 0.47 C ATOM 2008 C1' DC B 205 -8.634 0.493 -2.992 1.00 0.49 C ATOM 2009 N1 DC B 205 -9.319 0.539 -4.294 1.00 0.55 N ATOM 2010 C2 DC B 205 -8.901 1.472 -5.250 1.00 0.65 C ATOM 2011 O2 DC B 205 -7.951 2.223 -4.984 1.00 0.78 O ATOM 2012 N3 DC B 205 -9.537 1.527 -6.442 1.00 0.73 N ATOM 2013 C4 DC B 205 -10.550 0.696 -6.697 1.00 0.77 C ATOM 2014 N4 DC B 205 -11.151 0.792 -7.886 1.00 0.91 N ATOM 2015 C5 DC B 205 -10.996 -0.265 -5.744 1.00 0.82 C ATOM 2016 C6 DC B 205 -10.356 -0.307 -4.569 1.00 0.69 C ATOM 0 H5' DC B 205 -10.265 -2.262 -0.385 1.00 0.74 H new ATOM 0 H5'' DC B 205 -10.609 -0.760 0.450 1.00 0.74 H new ATOM 0 H4' DC B 205 -8.262 -1.195 -0.395 1.00 0.52 H new ATOM 0 H3' DC B 205 -9.398 1.223 0.160 1.00 0.41 H new ATOM 0 H2' DC B 205 -10.186 1.722 -2.091 1.00 0.47 H new ATOM 0 H2'' DC B 205 -8.605 2.478 -2.104 1.00 0.47 H new ATOM 0 HO3' DC B 205 -6.864 1.085 -1.098 1.00 0.51 H new ATOM 0 H1' DC B 205 -7.584 0.691 -3.205 1.00 0.49 H new ATOM 0 H41 DC B 205 -11.929 0.173 -8.116 1.00 0.91 H new ATOM 0 H42 DC B 205 -10.832 1.484 -8.564 1.00 0.91 H new ATOM 0 H5 DC B 205 -11.817 -0.932 -5.961 1.00 0.82 H new ATOM 0 H6 DC B 205 -10.666 -1.024 -3.823 1.00 0.69 H new TER 2029 DC B 205