USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1227 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 99 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.34) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 100 ASN : amide:sc= 1.13 K(o=2.2,f=-7!) USER MOD Set 2.2: A 102 LYS NZ :NH3+ -121:sc= 1.05 (180deg=0.388) USER MOD Set 3.1: A 28 GLN : amide:sc= 0 X(o=-0.016,f=-0.017) USER MOD Set 3.2: A 34 CYS SG : rot 19:sc= -0.0159 USER MOD Single : A 1 ALA N :NH3+ -107:sc= -0.0843 (180deg=-2.88!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -3:sc= 0.869 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 21 ASN : amide:sc=-0.00448 K(o=-0.0045,f=-3!) USER MOD Single : A 24 ASN : amide:sc= 0.244 X(o=0.24,f=0.32) USER MOD Single : A 25 SER OG : rot -59:sc= 0.441 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -118:sc= 1.2 USER MOD Single : A 48 GLN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0.796 (180deg=0.779) USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.0291 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 0.131 (180deg=-1.49) USER MOD Single : A 64 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.0036) USER MOD Single : A 67 HIS : no HE2:sc= -0.563 K(o=-0.56,f=-1.3) USER MOD Single : A 72 ASN : amide:sc= -0.701 K(o=-0.7,f=-5.5!) USER MOD Single : A 74 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 0.614 (180deg=0.404) USER MOD Single : A 84 GLN : amide:sc= -0.855 K(o=-0.85,f=-5.3!) USER MOD Single : A 89 TYR OH : rot -128:sc= 0.86 USER MOD Single : A 91 SER OG : rot 76:sc= 0.605 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.477 K(o=0.48,f=-0.89) USER MOD Single : A 103 SER OG : rot 32:sc= 0.188 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -133:sc= 0.782 USER MOD Single : A 115 SER OG : rot -90:sc= -0.203 USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 117:sc= 0.878 USER MOD Single : A 123 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-0.61) USER MOD Single : A 124 SER OG : rot 69:sc= 0.138 USER MOD Single : A 126 ASN : amide:sc= 0.595 K(o=0.59,f=-0.47) USER MOD Single : A 127 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.025) USER MOD Single : A 130 THR OG1 : rot 73:sc= 0.928 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -38:sc= 0.0878 USER MOD Single : A 142 TYR OH : rot 42:sc= 0.868 USER MOD Single : A 143 CYS SG : rot 35:sc= -0.231 USER MOD Single : A 146 LYS NZ :NH3+ 165:sc= 0.993 (180deg=0.63) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl -158:sc= -0.0711 (180deg=-0.518) USER MOD Single : A 151 THR OG1 : rot 79:sc= 0.761 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.272 -10.449 9.232 1.00 2.09 N ATOM 2 CA ALA A 1 -13.209 -10.690 8.243 1.00 1.77 C ATOM 3 C ALA A 1 -13.423 -9.725 7.089 1.00 1.58 C ATOM 4 O ALA A 1 -14.571 -9.374 6.831 1.00 2.18 O ATOM 5 CB ALA A 1 -13.253 -12.140 7.751 1.00 2.67 C ATOM 0 H1 ALA A 1 -13.872 -9.965 10.061 1.00 2.09 H new ATOM 0 H2 ALA A 1 -15.012 -9.854 8.808 1.00 2.09 H new ATOM 0 H3 ALA A 1 -14.684 -11.357 9.527 1.00 2.09 H new ATOM 0 HA ALA A 1 -12.229 -10.528 8.692 1.00 1.77 H new ATOM 0 HB1 ALA A 1 -12.460 -12.301 7.020 1.00 2.67 H new ATOM 0 HB2 ALA A 1 -13.111 -12.815 8.595 1.00 2.67 H new ATOM 0 HB3 ALA A 1 -14.219 -12.338 7.287 1.00 2.67 H new ATOM 11 N PRO A 2 -12.357 -9.257 6.438 1.00 2.42 N ATOM 12 CA PRO A 2 -12.451 -8.301 5.353 1.00 3.33 C ATOM 13 C PRO A 2 -13.025 -8.999 4.120 1.00 2.61 C ATOM 14 O PRO A 2 -12.497 -10.028 3.708 1.00 3.19 O ATOM 15 CB PRO A 2 -11.010 -7.821 5.138 1.00 4.89 C ATOM 16 CG PRO A 2 -10.170 -9.027 5.561 1.00 4.92 C ATOM 17 CD PRO A 2 -10.979 -9.619 6.710 1.00 3.57 C ATOM 0 HA PRO A 2 -13.110 -7.458 5.561 1.00 3.33 H new ATOM 0 HB2 PRO A 2 -10.828 -7.549 4.098 1.00 4.89 H new ATOM 0 HB3 PRO A 2 -10.785 -6.942 5.742 1.00 4.89 H new ATOM 0 HG2 PRO A 2 -10.046 -9.739 4.745 1.00 4.92 H new ATOM 0 HG3 PRO A 2 -9.171 -8.731 5.881 1.00 4.92 H new ATOM 0 HD2 PRO A 2 -10.859 -10.701 6.758 1.00 3.57 H new ATOM 0 HD3 PRO A 2 -10.650 -9.219 7.669 1.00 3.57 H new ATOM 25 N SER A 3 -14.089 -8.463 3.516 1.00 1.60 N ATOM 26 CA SER A 3 -14.484 -8.930 2.196 1.00 1.26 C ATOM 27 C SER A 3 -13.483 -8.367 1.192 1.00 1.02 C ATOM 28 O SER A 3 -12.756 -7.425 1.510 1.00 1.23 O ATOM 29 CB SER A 3 -15.911 -8.481 1.864 1.00 1.65 C ATOM 30 OG SER A 3 -16.604 -9.545 1.243 1.00 1.84 O ATOM 0 H SER A 3 -14.674 -7.727 3.910 1.00 1.60 H new ATOM 0 HA SER A 3 -14.480 -10.019 2.160 1.00 1.26 H new ATOM 0 HB2 SER A 3 -16.429 -8.176 2.773 1.00 1.65 H new ATOM 0 HB3 SER A 3 -15.887 -7.613 1.204 1.00 1.65 H new ATOM 0 HG SER A 3 -17.518 -9.261 1.031 1.00 1.84 H new ATOM 36 N TYR A 4 -13.408 -8.943 -0.010 1.00 0.83 N ATOM 37 CA TYR A 4 -12.355 -8.605 -0.948 1.00 0.81 C ATOM 38 C TYR A 4 -13.002 -8.040 -2.203 1.00 0.79 C ATOM 39 O TYR A 4 -13.871 -8.681 -2.793 1.00 0.90 O ATOM 40 CB TYR A 4 -11.524 -9.851 -1.272 1.00 0.96 C ATOM 41 CG TYR A 4 -11.501 -10.932 -0.203 1.00 1.11 C ATOM 42 CD1 TYR A 4 -10.638 -10.828 0.901 1.00 2.02 C ATOM 43 CD2 TYR A 4 -12.369 -12.035 -0.304 1.00 2.69 C ATOM 44 CE1 TYR A 4 -10.621 -11.835 1.883 1.00 2.25 C ATOM 45 CE2 TYR A 4 -12.342 -13.060 0.656 1.00 2.93 C ATOM 46 CZ TYR A 4 -11.460 -12.963 1.757 1.00 1.88 C ATOM 47 OH TYR A 4 -11.407 -13.954 2.692 1.00 2.32 O ATOM 0 H TYR A 4 -14.067 -9.644 -0.349 1.00 0.83 H new ATOM 0 HA TYR A 4 -11.684 -7.861 -0.518 1.00 0.81 H new ATOM 0 HB2 TYR A 4 -11.905 -10.288 -2.195 1.00 0.96 H new ATOM 0 HB3 TYR A 4 -10.498 -9.539 -1.467 1.00 0.96 H new ATOM 0 HD1 TYR A 4 -9.986 -9.972 0.996 1.00 2.02 H new ATOM 0 HD2 TYR A 4 -13.064 -12.094 -1.129 1.00 2.69 H new ATOM 0 HE1 TYR A 4 -9.964 -11.745 2.736 1.00 2.25 H new ATOM 0 HE2 TYR A 4 -12.991 -13.917 0.554 1.00 2.93 H new ATOM 0 HH TYR A 4 -12.048 -14.658 2.460 1.00 2.32 H new ATOM 57 N HIS A 5 -12.574 -6.855 -2.625 1.00 0.78 N ATOM 58 CA HIS A 5 -13.157 -6.160 -3.758 1.00 0.76 C ATOM 59 C HIS A 5 -11.999 -5.530 -4.525 1.00 0.74 C ATOM 60 O HIS A 5 -11.125 -4.927 -3.913 1.00 0.92 O ATOM 61 CB HIS A 5 -14.142 -5.108 -3.219 1.00 0.79 C ATOM 62 CG HIS A 5 -15.226 -4.652 -4.168 1.00 0.84 C ATOM 63 ND1 HIS A 5 -16.450 -4.159 -3.770 1.00 1.23 N ATOM 64 CD2 HIS A 5 -15.210 -4.645 -5.539 1.00 0.81 C ATOM 65 CE1 HIS A 5 -17.154 -3.873 -4.876 1.00 1.26 C ATOM 66 NE2 HIS A 5 -16.445 -4.161 -5.978 1.00 0.92 N ATOM 0 H HIS A 5 -11.806 -6.349 -2.184 1.00 0.78 H new ATOM 0 HA HIS A 5 -13.712 -6.818 -4.427 1.00 0.76 H new ATOM 0 HB2 HIS A 5 -14.618 -5.512 -2.326 1.00 0.79 H new ATOM 0 HB3 HIS A 5 -13.571 -4.233 -2.908 1.00 0.79 H new ATOM 0 HD2 HIS A 5 -14.389 -4.958 -6.167 1.00 0.81 H new ATOM 0 HE1 HIS A 5 -18.155 -3.467 -4.879 1.00 1.26 H new ATOM 0 HE2 HIS A 5 -16.748 -4.049 -6.946 1.00 0.92 H new ATOM 74 N VAL A 6 -11.959 -5.673 -5.848 1.00 0.64 N ATOM 75 CA VAL A 6 -10.952 -5.034 -6.686 1.00 0.61 C ATOM 76 C VAL A 6 -11.655 -4.062 -7.626 1.00 0.61 C ATOM 77 O VAL A 6 -12.774 -4.344 -8.057 1.00 0.62 O ATOM 78 CB VAL A 6 -10.137 -6.115 -7.410 1.00 0.75 C ATOM 79 CG1 VAL A 6 -11.007 -7.016 -8.299 1.00 1.71 C ATOM 80 CG2 VAL A 6 -9.011 -5.487 -8.238 1.00 2.45 C ATOM 0 H VAL A 6 -12.629 -6.239 -6.370 1.00 0.64 H new ATOM 0 HA VAL A 6 -10.240 -4.456 -6.097 1.00 0.61 H new ATOM 0 HB VAL A 6 -9.703 -6.746 -6.635 1.00 0.75 H new ATOM 0 HG11 VAL A 6 -10.379 -7.762 -8.786 1.00 1.71 H new ATOM 0 HG12 VAL A 6 -11.756 -7.517 -7.686 1.00 1.71 H new ATOM 0 HG13 VAL A 6 -11.504 -6.409 -9.056 1.00 1.71 H new ATOM 0 HG21 VAL A 6 -8.448 -6.273 -8.741 1.00 2.45 H new ATOM 0 HG22 VAL A 6 -9.438 -4.814 -8.981 1.00 2.45 H new ATOM 0 HG23 VAL A 6 -8.345 -4.927 -7.581 1.00 2.45 H new ATOM 90 N VAL A 7 -11.031 -2.915 -7.913 1.00 0.64 N ATOM 91 CA VAL A 7 -11.647 -1.846 -8.681 1.00 0.65 C ATOM 92 C VAL A 7 -10.628 -1.281 -9.674 1.00 0.68 C ATOM 93 O VAL A 7 -9.474 -1.022 -9.329 1.00 0.78 O ATOM 94 CB VAL A 7 -12.163 -0.752 -7.723 1.00 0.72 C ATOM 95 CG1 VAL A 7 -13.021 0.274 -8.474 1.00 1.72 C ATOM 96 CG2 VAL A 7 -13.012 -1.330 -6.581 1.00 1.54 C ATOM 0 H VAL A 7 -10.078 -2.708 -7.614 1.00 0.64 H new ATOM 0 HA VAL A 7 -12.497 -2.231 -9.244 1.00 0.65 H new ATOM 0 HB VAL A 7 -11.276 -0.277 -7.304 1.00 0.72 H new ATOM 0 HG11 VAL A 7 -13.373 1.034 -7.777 1.00 1.72 H new ATOM 0 HG12 VAL A 7 -12.424 0.746 -9.255 1.00 1.72 H new ATOM 0 HG13 VAL A 7 -13.877 -0.228 -8.925 1.00 1.72 H new ATOM 0 HG21 VAL A 7 -13.351 -0.521 -5.934 1.00 1.54 H new ATOM 0 HG22 VAL A 7 -13.876 -1.849 -6.996 1.00 1.54 H new ATOM 0 HG23 VAL A 7 -12.412 -2.031 -6.000 1.00 1.54 H new ATOM 106 N ARG A 8 -11.067 -1.026 -10.905 1.00 0.70 N ATOM 107 CA ARG A 8 -10.283 -0.351 -11.923 1.00 0.89 C ATOM 108 C ARG A 8 -10.446 1.147 -11.714 1.00 0.84 C ATOM 109 O ARG A 8 -11.462 1.736 -12.068 1.00 1.06 O ATOM 110 CB ARG A 8 -10.721 -0.792 -13.336 1.00 1.20 C ATOM 111 CG ARG A 8 -12.200 -0.514 -13.666 1.00 2.29 C ATOM 112 CD ARG A 8 -12.683 -1.284 -14.893 1.00 2.49 C ATOM 113 NE ARG A 8 -14.136 -1.113 -15.048 1.00 3.56 N ATOM 114 CZ ARG A 8 -14.852 -1.373 -16.146 1.00 4.30 C ATOM 115 NH1 ARG A 8 -16.170 -1.171 -16.144 1.00 5.36 N ATOM 116 NH2 ARG A 8 -14.249 -1.841 -17.240 1.00 4.67 N ATOM 0 H ARG A 8 -11.999 -1.291 -11.224 1.00 0.70 H new ATOM 0 HA ARG A 8 -9.229 -0.616 -11.836 1.00 0.89 H new ATOM 0 HB2 ARG A 8 -10.097 -0.283 -14.071 1.00 1.20 H new ATOM 0 HB3 ARG A 8 -10.533 -1.860 -13.443 1.00 1.20 H new ATOM 0 HG2 ARG A 8 -12.816 -0.782 -12.808 1.00 2.29 H new ATOM 0 HG3 ARG A 8 -12.336 0.554 -13.835 1.00 2.29 H new ATOM 0 HD2 ARG A 8 -12.168 -0.926 -15.784 1.00 2.49 H new ATOM 0 HD3 ARG A 8 -12.441 -2.342 -14.789 1.00 2.49 H new ATOM 0 HE ARG A 8 -14.647 -0.762 -14.238 1.00 3.56 H new ATOM 0 HH11 ARG A 8 -16.631 -0.818 -15.305 1.00 5.36 H new ATOM 0 HH12 ARG A 8 -16.718 -1.369 -16.981 1.00 5.36 H new ATOM 0 HH21 ARG A 8 -13.242 -2.000 -17.238 1.00 4.67 H new ATOM 0 HH22 ARG A 8 -14.795 -2.040 -18.078 1.00 4.67 H new ATOM 130 N GLY A 9 -9.431 1.780 -11.143 1.00 0.78 N ATOM 131 CA GLY A 9 -9.405 3.214 -10.977 1.00 0.82 C ATOM 132 C GLY A 9 -7.962 3.686 -10.968 1.00 0.92 C ATOM 133 O GLY A 9 -7.080 3.031 -11.521 1.00 1.24 O ATOM 0 H GLY A 9 -8.603 1.306 -10.783 1.00 0.78 H new ATOM 0 HA2 GLY A 9 -9.954 3.696 -11.786 1.00 0.82 H new ATOM 0 HA3 GLY A 9 -9.898 3.494 -10.046 1.00 0.82 H new ATOM 137 N ASP A 10 -7.745 4.823 -10.321 1.00 0.84 N ATOM 138 CA ASP A 10 -6.454 5.474 -10.140 1.00 0.90 C ATOM 139 C ASP A 10 -6.374 5.893 -8.678 1.00 0.83 C ATOM 140 O ASP A 10 -7.411 6.111 -8.053 1.00 0.86 O ATOM 141 CB ASP A 10 -6.347 6.701 -11.054 1.00 1.05 C ATOM 142 CG ASP A 10 -4.925 7.253 -11.117 1.00 1.75 C ATOM 143 OD1 ASP A 10 -4.311 7.147 -12.198 1.00 2.31 O ATOM 144 OD2 ASP A 10 -4.466 7.764 -10.073 1.00 3.04 O ATOM 0 H ASP A 10 -8.506 5.344 -9.885 1.00 0.84 H new ATOM 0 HA ASP A 10 -5.636 4.801 -10.397 1.00 0.90 H new ATOM 0 HB2 ASP A 10 -6.675 6.433 -12.058 1.00 1.05 H new ATOM 0 HB3 ASP A 10 -7.021 7.479 -10.695 1.00 1.05 H new ATOM 149 N ILE A 11 -5.178 6.042 -8.121 1.00 0.80 N ATOM 150 CA ILE A 11 -5.007 6.409 -6.722 1.00 0.76 C ATOM 151 C ILE A 11 -5.591 7.792 -6.473 1.00 0.72 C ATOM 152 O ILE A 11 -6.195 8.057 -5.436 1.00 0.72 O ATOM 153 CB ILE A 11 -3.513 6.348 -6.355 1.00 0.78 C ATOM 154 CG1 ILE A 11 -2.868 5.018 -6.782 1.00 1.71 C ATOM 155 CG2 ILE A 11 -3.301 6.547 -4.852 1.00 1.76 C ATOM 156 CD1 ILE A 11 -3.736 3.793 -6.483 1.00 3.41 C ATOM 0 H ILE A 11 -4.301 5.912 -8.626 1.00 0.80 H new ATOM 0 HA ILE A 11 -5.542 5.705 -6.085 1.00 0.76 H new ATOM 0 HB ILE A 11 -3.031 7.160 -6.899 1.00 0.78 H new ATOM 0 HG12 ILE A 11 -2.658 5.052 -7.851 1.00 1.71 H new ATOM 0 HG13 ILE A 11 -1.911 4.908 -6.273 1.00 1.71 H new ATOM 0 HG21 ILE A 11 -2.236 6.499 -4.625 1.00 1.76 H new ATOM 0 HG22 ILE A 11 -3.691 7.521 -4.555 1.00 1.76 H new ATOM 0 HG23 ILE A 11 -3.825 5.764 -4.304 1.00 1.76 H new ATOM 0 HD11 ILE A 11 -3.218 2.891 -6.811 1.00 3.41 H new ATOM 0 HD12 ILE A 11 -3.925 3.734 -5.411 1.00 3.41 H new ATOM 0 HD13 ILE A 11 -4.684 3.880 -7.014 1.00 3.41 H new ATOM 168 N ALA A 12 -5.461 8.674 -7.458 1.00 0.73 N ATOM 169 CA ALA A 12 -5.979 10.028 -7.356 1.00 0.74 C ATOM 170 C ALA A 12 -7.510 10.044 -7.232 1.00 0.77 C ATOM 171 O ALA A 12 -8.081 11.014 -6.721 1.00 0.93 O ATOM 172 CB ALA A 12 -5.514 10.836 -8.565 1.00 0.87 C ATOM 0 H ALA A 12 -4.996 8.470 -8.343 1.00 0.73 H new ATOM 0 HA ALA A 12 -5.588 10.484 -6.446 1.00 0.74 H new ATOM 0 HB1 ALA A 12 -5.900 11.853 -8.493 1.00 0.87 H new ATOM 0 HB2 ALA A 12 -4.425 10.862 -8.588 1.00 0.87 H new ATOM 0 HB3 ALA A 12 -5.885 10.371 -9.478 1.00 0.87 H new ATOM 178 N THR A 13 -8.159 8.970 -7.696 1.00 0.82 N ATOM 179 CA THR A 13 -9.613 8.828 -7.741 1.00 0.85 C ATOM 180 C THR A 13 -10.095 7.781 -6.737 1.00 0.83 C ATOM 181 O THR A 13 -11.290 7.530 -6.637 1.00 0.90 O ATOM 182 CB THR A 13 -10.075 8.470 -9.165 1.00 0.92 C ATOM 183 OG1 THR A 13 -9.532 7.242 -9.602 1.00 0.93 O ATOM 184 CG2 THR A 13 -9.659 9.545 -10.171 1.00 0.90 C ATOM 0 H THR A 13 -7.669 8.153 -8.061 1.00 0.82 H new ATOM 0 HA THR A 13 -10.055 9.785 -7.464 1.00 0.85 H new ATOM 0 HB THR A 13 -11.161 8.396 -9.117 1.00 0.92 H new ATOM 0 HG1 THR A 13 -8.921 6.893 -8.920 1.00 0.93 H new ATOM 0 HG21 THR A 13 -10.000 9.263 -11.167 1.00 0.90 H new ATOM 0 HG22 THR A 13 -10.107 10.498 -9.891 1.00 0.90 H new ATOM 0 HG23 THR A 13 -8.573 9.641 -10.173 1.00 0.90 H new ATOM 192 N ALA A 14 -9.178 7.181 -5.977 1.00 0.77 N ATOM 193 CA ALA A 14 -9.470 6.186 -4.974 1.00 0.77 C ATOM 194 C ALA A 14 -9.805 6.945 -3.702 1.00 0.69 C ATOM 195 O ALA A 14 -9.062 6.959 -2.725 1.00 0.72 O ATOM 196 CB ALA A 14 -8.256 5.270 -4.816 1.00 0.83 C ATOM 0 H ALA A 14 -8.182 7.389 -6.054 1.00 0.77 H new ATOM 0 HA ALA A 14 -10.311 5.546 -5.240 1.00 0.77 H new ATOM 0 HB1 ALA A 14 -8.467 4.514 -4.060 1.00 0.83 H new ATOM 0 HB2 ALA A 14 -8.042 4.782 -5.767 1.00 0.83 H new ATOM 0 HB3 ALA A 14 -7.393 5.860 -4.509 1.00 0.83 H new ATOM 202 N THR A 15 -10.922 7.654 -3.726 1.00 0.67 N ATOM 203 CA THR A 15 -11.396 8.421 -2.598 1.00 0.59 C ATOM 204 C THR A 15 -12.124 7.498 -1.625 1.00 0.53 C ATOM 205 O THR A 15 -13.274 7.756 -1.277 1.00 0.59 O ATOM 206 CB THR A 15 -12.300 9.534 -3.134 1.00 0.71 C ATOM 207 OG1 THR A 15 -13.305 8.986 -3.956 1.00 1.15 O ATOM 208 CG2 THR A 15 -11.485 10.541 -3.956 1.00 0.96 C ATOM 0 H THR A 15 -11.529 7.710 -4.544 1.00 0.67 H new ATOM 0 HA THR A 15 -10.572 8.876 -2.048 1.00 0.59 H new ATOM 0 HB THR A 15 -12.752 10.043 -2.283 1.00 0.71 H new ATOM 0 HG1 THR A 15 -13.880 9.705 -4.293 1.00 1.15 H new ATOM 0 HG21 THR A 15 -12.144 11.325 -4.329 1.00 0.96 H new ATOM 0 HG22 THR A 15 -10.714 10.985 -3.327 1.00 0.96 H new ATOM 0 HG23 THR A 15 -11.017 10.030 -4.797 1.00 0.96 H new ATOM 216 N GLU A 16 -11.456 6.451 -1.142 1.00 0.57 N ATOM 217 CA GLU A 16 -12.053 5.472 -0.244 1.00 0.58 C ATOM 218 C GLU A 16 -12.028 5.966 1.207 1.00 0.61 C ATOM 219 O GLU A 16 -12.138 5.178 2.143 1.00 0.70 O ATOM 220 CB GLU A 16 -11.288 4.141 -0.381 1.00 0.63 C ATOM 221 CG GLU A 16 -12.230 2.973 -0.695 1.00 0.65 C ATOM 222 CD GLU A 16 -12.585 2.867 -2.184 1.00 1.61 C ATOM 223 OE1 GLU A 16 -12.471 3.882 -2.909 1.00 2.60 O ATOM 224 OE2 GLU A 16 -12.955 1.749 -2.599 1.00 2.72 O ATOM 0 H GLU A 16 -10.479 6.260 -1.366 1.00 0.57 H new ATOM 0 HA GLU A 16 -13.098 5.324 -0.517 1.00 0.58 H new ATOM 0 HB2 GLU A 16 -10.543 4.230 -1.172 1.00 0.63 H new ATOM 0 HB3 GLU A 16 -10.749 3.935 0.544 1.00 0.63 H new ATOM 0 HG2 GLU A 16 -11.764 2.042 -0.372 1.00 0.65 H new ATOM 0 HG3 GLU A 16 -13.147 3.088 -0.117 1.00 0.65 H new ATOM 231 N GLY A 17 -11.788 7.260 1.429 1.00 0.65 N ATOM 232 CA GLY A 17 -11.529 7.804 2.752 1.00 0.68 C ATOM 233 C GLY A 17 -10.072 7.599 3.162 1.00 0.62 C ATOM 234 O GLY A 17 -9.488 8.474 3.798 1.00 0.75 O ATOM 0 H GLY A 17 -11.769 7.960 0.687 1.00 0.65 H new ATOM 0 HA2 GLY A 17 -11.766 8.868 2.763 1.00 0.68 H new ATOM 0 HA3 GLY A 17 -12.184 7.325 3.479 1.00 0.68 H new ATOM 238 N VAL A 18 -9.486 6.446 2.822 1.00 0.58 N ATOM 239 CA VAL A 18 -8.173 6.042 3.291 1.00 0.69 C ATOM 240 C VAL A 18 -7.457 5.333 2.145 1.00 0.70 C ATOM 241 O VAL A 18 -8.034 4.442 1.520 1.00 0.81 O ATOM 242 CB VAL A 18 -8.332 5.091 4.488 1.00 0.89 C ATOM 243 CG1 VAL A 18 -6.975 4.817 5.149 1.00 0.97 C ATOM 244 CG2 VAL A 18 -9.290 5.631 5.554 1.00 1.47 C ATOM 0 H VAL A 18 -9.924 5.763 2.204 1.00 0.58 H new ATOM 0 HA VAL A 18 -7.593 6.908 3.609 1.00 0.69 H new ATOM 0 HB VAL A 18 -8.753 4.170 4.084 1.00 0.89 H new ATOM 0 HG11 VAL A 18 -7.111 4.142 5.994 1.00 0.97 H new ATOM 0 HG12 VAL A 18 -6.303 4.359 4.423 1.00 0.97 H new ATOM 0 HG13 VAL A 18 -6.545 5.755 5.500 1.00 0.97 H new ATOM 0 HG21 VAL A 18 -9.362 4.917 6.374 1.00 1.47 H new ATOM 0 HG22 VAL A 18 -8.914 6.582 5.933 1.00 1.47 H new ATOM 0 HG23 VAL A 18 -10.276 5.780 5.115 1.00 1.47 H new ATOM 254 N ILE A 19 -6.205 5.721 1.886 1.00 0.65 N ATOM 255 CA ILE A 19 -5.347 5.150 0.866 1.00 0.76 C ATOM 256 C ILE A 19 -3.967 4.966 1.462 1.00 0.64 C ATOM 257 O ILE A 19 -3.529 5.815 2.233 1.00 0.54 O ATOM 258 CB ILE A 19 -5.275 6.110 -0.335 1.00 0.89 C ATOM 259 CG1 ILE A 19 -6.623 6.225 -1.041 1.00 1.20 C ATOM 260 CG2 ILE A 19 -4.174 5.746 -1.341 1.00 0.97 C ATOM 261 CD1 ILE A 19 -6.913 4.946 -1.810 1.00 3.55 C ATOM 0 H ILE A 19 -5.752 6.472 2.407 1.00 0.65 H new ATOM 0 HA ILE A 19 -5.739 4.191 0.527 1.00 0.76 H new ATOM 0 HB ILE A 19 -5.012 7.082 0.083 1.00 0.89 H new ATOM 0 HG12 ILE A 19 -7.412 6.408 -0.311 1.00 1.20 H new ATOM 0 HG13 ILE A 19 -6.616 7.076 -1.722 1.00 1.20 H new ATOM 0 HG21 ILE A 19 -4.179 6.463 -2.162 1.00 0.97 H new ATOM 0 HG22 ILE A 19 -3.204 5.771 -0.844 1.00 0.97 H new ATOM 0 HG23 ILE A 19 -4.355 4.745 -1.733 1.00 0.97 H new ATOM 0 HD11 ILE A 19 -7.877 5.034 -2.312 1.00 3.55 H new ATOM 0 HD12 ILE A 19 -6.131 4.782 -2.552 1.00 3.55 H new ATOM 0 HD13 ILE A 19 -6.940 4.104 -1.119 1.00 3.55 H new ATOM 273 N ILE A 20 -3.266 3.904 1.066 1.00 0.68 N ATOM 274 CA ILE A 20 -1.893 3.668 1.459 1.00 0.60 C ATOM 275 C ILE A 20 -1.068 3.712 0.181 1.00 0.59 C ATOM 276 O ILE A 20 -1.447 3.104 -0.817 1.00 0.70 O ATOM 277 CB ILE A 20 -1.736 2.314 2.172 1.00 0.67 C ATOM 278 CG1 ILE A 20 -2.709 2.084 3.341 1.00 0.71 C ATOM 279 CG2 ILE A 20 -0.331 2.191 2.767 1.00 0.76 C ATOM 280 CD1 ILE A 20 -4.113 1.723 2.878 1.00 0.68 C ATOM 0 H ILE A 20 -3.647 3.180 0.457 1.00 0.68 H new ATOM 0 HA ILE A 20 -1.559 4.424 2.170 1.00 0.60 H new ATOM 0 HB ILE A 20 -1.944 1.577 1.396 1.00 0.67 H new ATOM 0 HG12 ILE A 20 -2.324 1.286 3.976 1.00 0.71 H new ATOM 0 HG13 ILE A 20 -2.754 2.985 3.953 1.00 0.71 H new ATOM 0 HG21 ILE A 20 -0.231 1.229 3.269 1.00 0.76 H new ATOM 0 HG22 ILE A 20 0.409 2.263 1.970 1.00 0.76 H new ATOM 0 HG23 ILE A 20 -0.169 2.994 3.486 1.00 0.76 H new ATOM 0 HD11 ILE A 20 -4.755 1.573 3.746 1.00 0.68 H new ATOM 0 HD12 ILE A 20 -4.513 2.531 2.266 1.00 0.68 H new ATOM 0 HD13 ILE A 20 -4.078 0.806 2.290 1.00 0.68 H new ATOM 292 N ASN A 21 0.067 4.402 0.223 1.00 0.51 N ATOM 293 CA ASN A 21 1.053 4.399 -0.843 1.00 0.55 C ATOM 294 C ASN A 21 2.391 4.006 -0.240 1.00 0.52 C ATOM 295 O ASN A 21 2.605 4.147 0.967 1.00 0.55 O ATOM 296 CB ASN A 21 1.155 5.778 -1.504 1.00 0.58 C ATOM 297 CG ASN A 21 -0.066 6.078 -2.356 1.00 1.63 C ATOM 298 OD1 ASN A 21 -0.264 5.460 -3.392 1.00 2.22 O ATOM 299 ND2 ASN A 21 -0.894 7.028 -1.942 1.00 2.93 N ATOM 0 H ASN A 21 0.329 4.989 1.015 1.00 0.51 H new ATOM 0 HA ASN A 21 0.757 3.689 -1.615 1.00 0.55 H new ATOM 0 HB2 ASN A 21 1.261 6.544 -0.736 1.00 0.58 H new ATOM 0 HB3 ASN A 21 2.051 5.821 -2.123 1.00 0.58 H new ATOM 0 HD21 ASN A 21 -1.721 7.259 -2.492 1.00 2.93 H new ATOM 0 HD22 ASN A 21 -0.704 7.527 -1.073 1.00 2.93 H new ATOM 306 N ALA A 22 3.303 3.527 -1.084 1.00 0.58 N ATOM 307 CA ALA A 22 4.676 3.343 -0.661 1.00 0.63 C ATOM 308 C ALA A 22 5.293 4.705 -0.346 1.00 0.87 C ATOM 309 O ALA A 22 4.798 5.747 -0.767 1.00 1.85 O ATOM 310 CB ALA A 22 5.472 2.615 -1.749 1.00 0.95 C ATOM 0 H ALA A 22 3.113 3.264 -2.051 1.00 0.58 H new ATOM 0 HA ALA A 22 4.704 2.729 0.239 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.502 2.483 -1.419 1.00 0.95 H new ATOM 0 HB2 ALA A 22 5.023 1.640 -1.937 1.00 0.95 H new ATOM 0 HB3 ALA A 22 5.457 3.204 -2.666 1.00 0.95 H new ATOM 316 N ALA A 23 6.402 4.679 0.378 1.00 0.54 N ATOM 317 CA ALA A 23 7.071 5.867 0.873 1.00 0.76 C ATOM 318 C ALA A 23 8.575 5.623 0.973 1.00 0.62 C ATOM 319 O ALA A 23 9.389 6.441 0.554 1.00 0.74 O ATOM 320 CB ALA A 23 6.475 6.219 2.236 1.00 1.18 C ATOM 0 H ALA A 23 6.870 3.812 0.642 1.00 0.54 H new ATOM 0 HA ALA A 23 6.922 6.701 0.187 1.00 0.76 H new ATOM 0 HB1 ALA A 23 6.964 7.111 2.628 1.00 1.18 H new ATOM 0 HB2 ALA A 23 5.407 6.409 2.128 1.00 1.18 H new ATOM 0 HB3 ALA A 23 6.628 5.389 2.925 1.00 1.18 H new ATOM 326 N ASN A 24 8.968 4.471 1.513 1.00 0.58 N ATOM 327 CA ASN A 24 10.358 4.192 1.845 1.00 0.65 C ATOM 328 C ASN A 24 10.877 5.234 2.843 1.00 0.64 C ATOM 329 O ASN A 24 10.147 6.119 3.286 1.00 0.71 O ATOM 330 CB ASN A 24 11.242 4.135 0.584 1.00 0.88 C ATOM 331 CG ASN A 24 10.584 3.426 -0.594 1.00 1.25 C ATOM 332 OD1 ASN A 24 10.682 2.216 -0.723 1.00 1.82 O ATOM 333 ND2 ASN A 24 9.925 4.163 -1.480 1.00 1.81 N ATOM 0 H ASN A 24 8.329 3.706 1.732 1.00 0.58 H new ATOM 0 HA ASN A 24 10.408 3.208 2.311 1.00 0.65 H new ATOM 0 HB2 ASN A 24 11.501 5.151 0.286 1.00 0.88 H new ATOM 0 HB3 ASN A 24 12.175 3.627 0.828 1.00 0.88 H new ATOM 0 HD21 ASN A 24 9.488 3.720 -2.288 1.00 1.81 H new ATOM 0 HD22 ASN A 24 9.855 5.173 -1.353 1.00 1.81 H new ATOM 340 N SER A 25 12.168 5.190 3.162 1.00 0.79 N ATOM 341 CA SER A 25 12.762 6.252 3.964 1.00 0.95 C ATOM 342 C SER A 25 12.801 7.598 3.241 1.00 1.11 C ATOM 343 O SER A 25 13.068 8.607 3.879 1.00 1.32 O ATOM 344 CB SER A 25 14.157 5.843 4.423 1.00 1.20 C ATOM 345 OG SER A 25 14.015 4.789 5.347 1.00 1.93 O ATOM 0 H SER A 25 12.810 4.447 2.884 1.00 0.79 H new ATOM 0 HA SER A 25 12.120 6.392 4.834 1.00 0.95 H new ATOM 0 HB2 SER A 25 14.761 5.527 3.573 1.00 1.20 H new ATOM 0 HB3 SER A 25 14.671 6.687 4.883 1.00 1.20 H new ATOM 0 HG SER A 25 13.472 5.090 6.105 1.00 1.93 H new ATOM 351 N LYS A 26 12.532 7.642 1.932 1.00 1.15 N ATOM 352 CA LYS A 26 12.449 8.892 1.185 1.00 1.42 C ATOM 353 C LYS A 26 11.063 9.526 1.296 1.00 1.38 C ATOM 354 O LYS A 26 10.849 10.606 0.759 1.00 1.62 O ATOM 355 CB LYS A 26 12.799 8.637 -0.287 1.00 1.53 C ATOM 356 CG LYS A 26 14.289 8.293 -0.426 1.00 1.97 C ATOM 357 CD LYS A 26 14.675 8.006 -1.879 1.00 2.37 C ATOM 358 CE LYS A 26 14.116 6.651 -2.323 1.00 2.50 C ATOM 359 NZ LYS A 26 14.498 6.331 -3.716 1.00 2.94 N ATOM 0 H LYS A 26 12.367 6.810 1.365 1.00 1.15 H new ATOM 0 HA LYS A 26 13.165 9.592 1.616 1.00 1.42 H new ATOM 0 HB2 LYS A 26 12.192 7.820 -0.676 1.00 1.53 H new ATOM 0 HB3 LYS A 26 12.565 9.520 -0.882 1.00 1.53 H new ATOM 0 HG2 LYS A 26 14.889 9.120 -0.047 1.00 1.97 H new ATOM 0 HG3 LYS A 26 14.520 7.424 0.190 1.00 1.97 H new ATOM 0 HD2 LYS A 26 14.291 8.795 -2.526 1.00 2.37 H new ATOM 0 HD3 LYS A 26 15.760 8.010 -1.981 1.00 2.37 H new ATOM 0 HE2 LYS A 26 14.483 5.870 -1.657 1.00 2.50 H new ATOM 0 HE3 LYS A 26 13.029 6.660 -2.236 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 14.102 5.407 -3.981 1.00 2.94 H new ATOM 0 HZ2 LYS A 26 14.127 7.063 -4.355 1.00 2.94 H new ATOM 0 HZ3 LYS A 26 15.535 6.298 -3.793 1.00 2.94 H new ATOM 373 N GLY A 27 10.096 8.852 1.917 1.00 1.21 N ATOM 374 CA GLY A 27 8.759 9.391 2.064 1.00 1.34 C ATOM 375 C GLY A 27 7.972 9.424 0.752 1.00 1.40 C ATOM 376 O GLY A 27 6.856 9.939 0.744 1.00 1.72 O ATOM 0 H GLY A 27 10.222 7.926 2.326 1.00 1.21 H new ATOM 0 HA2 GLY A 27 8.212 8.793 2.793 1.00 1.34 H new ATOM 0 HA3 GLY A 27 8.825 10.402 2.466 1.00 1.34 H new ATOM 380 N GLN A 28 8.505 8.873 -0.343 1.00 1.22 N ATOM 381 CA GLN A 28 7.940 8.939 -1.677 1.00 1.29 C ATOM 382 C GLN A 28 7.743 7.515 -2.204 1.00 1.02 C ATOM 383 O GLN A 28 8.662 6.698 -2.113 1.00 1.02 O ATOM 384 CB GLN A 28 8.916 9.710 -2.580 1.00 1.55 C ATOM 385 CG GLN A 28 8.431 9.690 -4.032 1.00 1.40 C ATOM 386 CD GLN A 28 9.430 10.285 -5.013 1.00 1.60 C ATOM 387 OE1 GLN A 28 10.051 11.309 -4.761 1.00 2.25 O ATOM 388 NE2 GLN A 28 9.620 9.621 -6.148 1.00 2.03 N ATOM 0 H GLN A 28 9.379 8.348 -0.313 1.00 1.22 H new ATOM 0 HA GLN A 28 6.977 9.449 -1.664 1.00 1.29 H new ATOM 0 HB2 GLN A 28 9.005 10.740 -2.234 1.00 1.55 H new ATOM 0 HB3 GLN A 28 9.909 9.265 -2.516 1.00 1.55 H new ATOM 0 HG2 GLN A 28 8.218 8.661 -4.322 1.00 1.40 H new ATOM 0 HG3 GLN A 28 7.493 10.241 -4.101 1.00 1.40 H new ATOM 0 HE21 GLN A 28 9.090 8.770 -6.336 1.00 2.03 H new ATOM 0 HE22 GLN A 28 10.295 9.963 -6.832 1.00 2.03 H new ATOM 397 N PRO A 29 6.590 7.207 -2.812 1.00 0.92 N ATOM 398 CA PRO A 29 6.375 5.916 -3.430 1.00 0.85 C ATOM 399 C PRO A 29 7.334 5.683 -4.594 1.00 0.97 C ATOM 400 O PRO A 29 7.730 6.606 -5.306 1.00 1.32 O ATOM 401 CB PRO A 29 4.913 5.888 -3.890 1.00 0.97 C ATOM 402 CG PRO A 29 4.480 7.351 -3.897 1.00 1.08 C ATOM 403 CD PRO A 29 5.404 8.036 -2.892 1.00 1.13 C ATOM 0 HA PRO A 29 6.572 5.112 -2.721 1.00 0.85 H new ATOM 0 HB2 PRO A 29 4.818 5.442 -4.880 1.00 0.97 H new ATOM 0 HB3 PRO A 29 4.296 5.296 -3.214 1.00 0.97 H new ATOM 0 HG2 PRO A 29 4.582 7.789 -4.890 1.00 1.08 H new ATOM 0 HG3 PRO A 29 3.434 7.455 -3.608 1.00 1.08 H new ATOM 0 HD2 PRO A 29 5.655 9.046 -3.217 1.00 1.13 H new ATOM 0 HD3 PRO A 29 4.924 8.125 -1.918 1.00 1.13 H new ATOM 411 N GLY A 30 7.674 4.410 -4.799 1.00 0.89 N ATOM 412 CA GLY A 30 8.397 3.974 -5.984 1.00 0.99 C ATOM 413 C GLY A 30 7.738 4.501 -7.262 1.00 1.40 C ATOM 414 O GLY A 30 6.535 4.772 -7.289 1.00 2.16 O ATOM 0 H GLY A 30 7.454 3.657 -4.147 1.00 0.89 H new ATOM 0 HA2 GLY A 30 9.428 4.324 -5.933 1.00 0.99 H new ATOM 0 HA3 GLY A 30 8.431 2.885 -6.012 1.00 0.99 H new ATOM 418 N GLY A 31 8.539 4.650 -8.322 1.00 1.44 N ATOM 419 CA GLY A 31 8.075 5.166 -9.600 1.00 1.96 C ATOM 420 C GLY A 31 6.854 4.386 -10.073 1.00 1.45 C ATOM 421 O GLY A 31 6.874 3.158 -10.102 1.00 2.67 O ATOM 0 H GLY A 31 9.531 4.413 -8.311 1.00 1.44 H new ATOM 0 HA2 GLY A 31 7.825 6.223 -9.504 1.00 1.96 H new ATOM 0 HA3 GLY A 31 8.871 5.092 -10.341 1.00 1.96 H new ATOM 425 N GLY A 32 5.782 5.101 -10.408 1.00 1.35 N ATOM 426 CA GLY A 32 4.487 4.508 -10.664 1.00 2.63 C ATOM 427 C GLY A 32 3.439 5.494 -10.181 1.00 2.23 C ATOM 428 O GLY A 32 3.311 6.579 -10.745 1.00 2.18 O ATOM 0 H GLY A 32 5.796 6.116 -10.508 1.00 1.35 H new ATOM 0 HA2 GLY A 32 4.361 4.303 -11.727 1.00 2.63 H new ATOM 0 HA3 GLY A 32 4.390 3.556 -10.142 1.00 2.63 H new ATOM 432 N VAL A 33 2.723 5.162 -9.107 1.00 2.01 N ATOM 433 CA VAL A 33 1.635 6.004 -8.626 1.00 1.66 C ATOM 434 C VAL A 33 2.114 7.368 -8.138 1.00 1.43 C ATOM 435 O VAL A 33 1.315 8.299 -8.121 1.00 1.25 O ATOM 436 CB VAL A 33 0.784 5.280 -7.571 1.00 1.62 C ATOM 437 CG1 VAL A 33 0.260 3.955 -8.138 1.00 2.38 C ATOM 438 CG2 VAL A 33 1.553 5.016 -6.272 1.00 2.22 C ATOM 0 H VAL A 33 2.878 4.317 -8.557 1.00 2.01 H new ATOM 0 HA VAL A 33 0.992 6.201 -9.484 1.00 1.66 H new ATOM 0 HB VAL A 33 -0.049 5.939 -7.328 1.00 1.62 H new ATOM 0 HG11 VAL A 33 -0.342 3.449 -7.383 1.00 2.38 H new ATOM 0 HG12 VAL A 33 -0.352 4.153 -9.018 1.00 2.38 H new ATOM 0 HG13 VAL A 33 1.101 3.320 -8.416 1.00 2.38 H new ATOM 0 HG21 VAL A 33 0.904 4.503 -5.563 1.00 2.22 H new ATOM 0 HG22 VAL A 33 2.423 4.394 -6.484 1.00 2.22 H new ATOM 0 HG23 VAL A 33 1.880 5.963 -5.844 1.00 2.22 H new ATOM 448 N CYS A 34 3.404 7.532 -7.809 1.00 1.55 N ATOM 449 CA CYS A 34 3.967 8.847 -7.547 1.00 1.56 C ATOM 450 C CYS A 34 3.575 9.846 -8.639 1.00 1.68 C ATOM 451 O CYS A 34 3.299 11.001 -8.336 1.00 1.66 O ATOM 452 CB CYS A 34 5.492 8.750 -7.419 1.00 1.80 C ATOM 453 SG CYS A 34 6.118 10.269 -6.651 1.00 1.92 S ATOM 0 H CYS A 34 4.070 6.764 -7.720 1.00 1.55 H new ATOM 0 HA CYS A 34 3.558 9.213 -6.605 1.00 1.56 H new ATOM 0 HB2 CYS A 34 5.765 7.884 -6.817 1.00 1.80 H new ATOM 0 HB3 CYS A 34 5.944 8.611 -8.401 1.00 1.80 H new ATOM 0 HG CYS A 34 5.144 10.884 -6.048 1.00 1.92 H new ATOM 459 N GLY A 35 3.560 9.415 -9.901 1.00 1.87 N ATOM 460 CA GLY A 35 3.300 10.300 -11.023 1.00 2.02 C ATOM 461 C GLY A 35 1.849 10.763 -11.036 1.00 1.82 C ATOM 462 O GLY A 35 1.581 11.957 -11.102 1.00 1.87 O ATOM 0 H GLY A 35 3.728 8.445 -10.167 1.00 1.87 H new ATOM 0 HA2 GLY A 35 3.960 11.166 -10.967 1.00 2.02 H new ATOM 0 HA3 GLY A 35 3.528 9.785 -11.956 1.00 2.02 H new ATOM 466 N ALA A 36 0.898 9.829 -10.994 1.00 1.66 N ATOM 467 CA ALA A 36 -0.518 10.167 -11.079 1.00 1.50 C ATOM 468 C ALA A 36 -0.928 10.992 -9.870 1.00 1.32 C ATOM 469 O ALA A 36 -1.573 12.031 -10.007 1.00 1.36 O ATOM 470 CB ALA A 36 -1.357 8.890 -11.193 1.00 1.41 C ATOM 0 H ALA A 36 1.086 8.831 -10.901 1.00 1.66 H new ATOM 0 HA ALA A 36 -0.694 10.766 -11.972 1.00 1.50 H new ATOM 0 HB1 ALA A 36 -2.413 9.153 -11.256 1.00 1.41 H new ATOM 0 HB2 ALA A 36 -1.065 8.342 -12.089 1.00 1.41 H new ATOM 0 HB3 ALA A 36 -1.190 8.266 -10.315 1.00 1.41 H new ATOM 476 N LEU A 37 -0.536 10.545 -8.681 1.00 1.18 N ATOM 477 CA LEU A 37 -0.902 11.221 -7.460 1.00 1.04 C ATOM 478 C LEU A 37 -0.337 12.633 -7.450 1.00 1.23 C ATOM 479 O LEU A 37 -1.066 13.563 -7.150 1.00 1.34 O ATOM 480 CB LEU A 37 -0.449 10.385 -6.260 1.00 0.95 C ATOM 481 CG LEU A 37 -1.099 10.865 -4.953 1.00 0.84 C ATOM 482 CD1 LEU A 37 -2.619 10.769 -5.070 1.00 0.96 C ATOM 483 CD2 LEU A 37 -0.695 9.957 -3.790 1.00 0.94 C ATOM 0 H LEU A 37 0.038 9.713 -8.546 1.00 1.18 H new ATOM 0 HA LEU A 37 -1.985 11.322 -7.394 1.00 1.04 H new ATOM 0 HB2 LEU A 37 -0.703 9.339 -6.429 1.00 0.95 H new ATOM 0 HB3 LEU A 37 0.636 10.439 -6.168 1.00 0.95 H new ATOM 0 HG LEU A 37 -0.773 11.890 -4.776 1.00 0.84 H new ATOM 0 HD11 LEU A 37 -3.078 11.110 -4.142 1.00 0.96 H new ATOM 0 HD12 LEU A 37 -2.961 11.394 -5.895 1.00 0.96 H new ATOM 0 HD13 LEU A 37 -2.905 9.734 -5.257 1.00 0.96 H new ATOM 0 HD21 LEU A 37 -1.164 10.311 -2.872 1.00 0.94 H new ATOM 0 HD22 LEU A 37 -1.021 8.937 -3.994 1.00 0.94 H new ATOM 0 HD23 LEU A 37 0.389 9.975 -3.674 1.00 0.94 H new ATOM 495 N TYR A 38 0.917 12.824 -7.855 1.00 1.38 N ATOM 496 CA TYR A 38 1.499 14.151 -8.020 1.00 1.61 C ATOM 497 C TYR A 38 0.739 14.964 -9.068 1.00 1.81 C ATOM 498 O TYR A 38 0.596 16.176 -8.941 1.00 2.00 O ATOM 499 CB TYR A 38 2.959 13.971 -8.439 1.00 1.77 C ATOM 500 CG TYR A 38 3.788 15.222 -8.668 1.00 1.98 C ATOM 501 CD1 TYR A 38 4.763 15.603 -7.726 1.00 2.64 C ATOM 502 CD2 TYR A 38 3.634 15.970 -9.851 1.00 2.58 C ATOM 503 CE1 TYR A 38 5.552 16.745 -7.945 1.00 2.96 C ATOM 504 CE2 TYR A 38 4.417 17.116 -10.077 1.00 2.88 C ATOM 505 CZ TYR A 38 5.379 17.510 -9.119 1.00 2.70 C ATOM 506 OH TYR A 38 6.150 18.615 -9.320 1.00 3.14 O ATOM 0 H TYR A 38 1.557 12.062 -8.078 1.00 1.38 H new ATOM 0 HA TYR A 38 1.434 14.701 -7.081 1.00 1.61 H new ATOM 0 HB2 TYR A 38 3.456 13.375 -7.674 1.00 1.77 H new ATOM 0 HB3 TYR A 38 2.974 13.386 -9.359 1.00 1.77 H new ATOM 0 HD1 TYR A 38 4.905 15.015 -6.831 1.00 2.64 H new ATOM 0 HD2 TYR A 38 2.909 15.661 -10.590 1.00 2.58 H new ATOM 0 HE1 TYR A 38 6.292 17.038 -7.214 1.00 2.96 H new ATOM 0 HE2 TYR A 38 4.284 17.693 -10.980 1.00 2.88 H new ATOM 0 HH TYR A 38 5.910 19.031 -10.174 1.00 3.14 H new ATOM 516 N LYS A 39 0.285 14.325 -10.146 1.00 1.84 N ATOM 517 CA LYS A 39 -0.275 15.008 -11.300 1.00 2.12 C ATOM 518 C LYS A 39 -1.647 15.556 -10.948 1.00 2.11 C ATOM 519 O LYS A 39 -2.090 16.540 -11.533 1.00 2.40 O ATOM 520 CB LYS A 39 -0.331 14.030 -12.481 1.00 2.21 C ATOM 521 CG LYS A 39 -0.883 14.687 -13.746 1.00 2.51 C ATOM 522 CD LYS A 39 -0.782 13.726 -14.935 1.00 2.80 C ATOM 523 CE LYS A 39 -1.181 14.459 -16.219 1.00 3.26 C ATOM 524 NZ LYS A 39 -1.076 13.585 -17.409 1.00 3.86 N ATOM 0 H LYS A 39 0.298 13.309 -10.238 1.00 1.84 H new ATOM 0 HA LYS A 39 0.352 15.852 -11.589 1.00 2.12 H new ATOM 0 HB2 LYS A 39 0.669 13.645 -12.680 1.00 2.21 H new ATOM 0 HB3 LYS A 39 -0.954 13.176 -12.215 1.00 2.21 H new ATOM 0 HG2 LYS A 39 -1.923 14.974 -13.590 1.00 2.51 H new ATOM 0 HG3 LYS A 39 -0.328 15.601 -13.961 1.00 2.51 H new ATOM 0 HD2 LYS A 39 0.235 13.344 -15.023 1.00 2.80 H new ATOM 0 HD3 LYS A 39 -1.433 12.866 -14.777 1.00 2.80 H new ATOM 0 HE2 LYS A 39 -2.204 14.824 -16.126 1.00 3.26 H new ATOM 0 HE3 LYS A 39 -0.542 15.332 -16.352 1.00 3.26 H new ATOM 0 HZ1 LYS A 39 -1.355 14.118 -18.257 1.00 3.86 H new ATOM 0 HZ2 LYS A 39 -0.095 13.257 -17.513 1.00 3.86 H new ATOM 0 HZ3 LYS A 39 -1.705 12.765 -17.294 1.00 3.86 H new ATOM 538 N LYS A 40 -2.349 14.898 -10.026 1.00 1.81 N ATOM 539 CA LYS A 40 -3.649 15.357 -9.595 1.00 1.80 C ATOM 540 C LYS A 40 -3.475 16.290 -8.401 1.00 1.97 C ATOM 541 O LYS A 40 -4.187 17.283 -8.314 1.00 2.38 O ATOM 542 CB LYS A 40 -4.505 14.133 -9.269 1.00 1.35 C ATOM 543 CG LYS A 40 -6.000 14.489 -9.156 1.00 1.45 C ATOM 544 CD LYS A 40 -6.801 14.160 -10.418 1.00 1.54 C ATOM 545 CE LYS A 40 -6.389 15.062 -11.581 1.00 1.82 C ATOM 546 NZ LYS A 40 -7.325 14.935 -12.719 1.00 2.30 N ATOM 0 H LYS A 40 -2.030 14.044 -9.568 1.00 1.81 H new ATOM 0 HA LYS A 40 -4.157 15.924 -10.375 1.00 1.80 H new ATOM 0 HB2 LYS A 40 -4.369 13.379 -10.044 1.00 1.35 H new ATOM 0 HB3 LYS A 40 -4.165 13.692 -8.332 1.00 1.35 H new ATOM 0 HG2 LYS A 40 -6.431 13.952 -8.311 1.00 1.45 H new ATOM 0 HG3 LYS A 40 -6.097 15.553 -8.940 1.00 1.45 H new ATOM 0 HD2 LYS A 40 -6.645 13.116 -10.690 1.00 1.54 H new ATOM 0 HD3 LYS A 40 -7.866 14.281 -10.219 1.00 1.54 H new ATOM 0 HE2 LYS A 40 -6.359 16.099 -11.246 1.00 1.82 H new ATOM 0 HE3 LYS A 40 -5.381 14.802 -11.906 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 -7.018 15.559 -13.492 1.00 2.30 H new ATOM 0 HZ2 LYS A 40 -7.334 13.950 -13.052 1.00 2.30 H new ATOM 0 HZ3 LYS A 40 -8.281 15.206 -12.414 1.00 2.30 H new ATOM 560 N PHE A 41 -2.579 15.951 -7.469 1.00 1.74 N ATOM 561 CA PHE A 41 -2.367 16.692 -6.239 1.00 1.98 C ATOM 562 C PHE A 41 -1.088 16.242 -5.513 1.00 1.57 C ATOM 563 O PHE A 41 -1.106 15.308 -4.717 1.00 1.36 O ATOM 564 CB PHE A 41 -3.596 16.567 -5.332 1.00 2.27 C ATOM 565 CG PHE A 41 -4.131 15.180 -5.018 1.00 1.57 C ATOM 566 CD1 PHE A 41 -5.062 14.570 -5.875 1.00 1.44 C ATOM 567 CD2 PHE A 41 -3.740 14.511 -3.845 1.00 1.93 C ATOM 568 CE1 PHE A 41 -5.540 13.275 -5.613 1.00 1.01 C ATOM 569 CE2 PHE A 41 -4.215 13.217 -3.579 1.00 2.33 C ATOM 570 CZ PHE A 41 -5.095 12.589 -4.474 1.00 1.77 C ATOM 0 H PHE A 41 -1.972 15.136 -7.558 1.00 1.74 H new ATOM 0 HA PHE A 41 -2.229 17.742 -6.496 1.00 1.98 H new ATOM 0 HB2 PHE A 41 -3.359 17.052 -4.385 1.00 2.27 H new ATOM 0 HB3 PHE A 41 -4.404 17.138 -5.789 1.00 2.27 H new ATOM 0 HD1 PHE A 41 -5.415 15.103 -6.746 1.00 1.44 H new ATOM 0 HD2 PHE A 41 -3.072 14.994 -3.147 1.00 1.93 H new ATOM 0 HE1 PHE A 41 -6.246 12.811 -6.285 1.00 1.01 H new ATOM 0 HE2 PHE A 41 -3.902 12.703 -2.682 1.00 2.33 H new ATOM 0 HZ PHE A 41 -5.429 11.579 -4.286 1.00 1.77 H new ATOM 580 N PRO A 42 0.037 16.948 -5.677 1.00 1.87 N ATOM 581 CA PRO A 42 1.255 16.643 -4.941 1.00 1.92 C ATOM 582 C PRO A 42 1.196 17.146 -3.497 1.00 1.60 C ATOM 583 O PRO A 42 2.131 16.939 -2.731 1.00 1.63 O ATOM 584 CB PRO A 42 2.358 17.322 -5.750 1.00 2.84 C ATOM 585 CG PRO A 42 1.671 18.545 -6.362 1.00 3.16 C ATOM 586 CD PRO A 42 0.200 18.141 -6.490 1.00 2.48 C ATOM 0 HA PRO A 42 1.422 15.571 -4.841 1.00 1.92 H new ATOM 0 HB2 PRO A 42 3.197 17.611 -5.117 1.00 2.84 H new ATOM 0 HB3 PRO A 42 2.753 16.660 -6.520 1.00 2.84 H new ATOM 0 HG2 PRO A 42 1.787 19.423 -5.727 1.00 3.16 H new ATOM 0 HG3 PRO A 42 2.099 18.795 -7.333 1.00 3.16 H new ATOM 0 HD2 PRO A 42 -0.455 18.941 -6.144 1.00 2.48 H new ATOM 0 HD3 PRO A 42 -0.061 17.943 -7.530 1.00 2.48 H new ATOM 594 N GLU A 43 0.089 17.762 -3.085 1.00 1.57 N ATOM 595 CA GLU A 43 -0.104 18.233 -1.725 1.00 1.57 C ATOM 596 C GLU A 43 -0.272 17.072 -0.747 1.00 1.25 C ATOM 597 O GLU A 43 -0.225 17.289 0.460 1.00 1.45 O ATOM 598 CB GLU A 43 -1.321 19.159 -1.707 1.00 2.15 C ATOM 599 CG GLU A 43 -0.917 20.560 -2.175 1.00 2.73 C ATOM 600 CD GLU A 43 -2.073 21.227 -2.914 1.00 3.09 C ATOM 601 OE1 GLU A 43 -2.842 21.954 -2.248 1.00 3.38 O ATOM 602 OE2 GLU A 43 -2.183 20.959 -4.131 1.00 4.15 O ATOM 0 H GLU A 43 -0.705 17.948 -3.698 1.00 1.57 H new ATOM 0 HA GLU A 43 0.780 18.781 -1.400 1.00 1.57 H new ATOM 0 HB2 GLU A 43 -2.102 18.761 -2.355 1.00 2.15 H new ATOM 0 HB3 GLU A 43 -1.737 19.208 -0.701 1.00 2.15 H new ATOM 0 HG2 GLU A 43 -0.626 21.167 -1.318 1.00 2.73 H new ATOM 0 HG3 GLU A 43 -0.048 20.495 -2.829 1.00 2.73 H new ATOM 609 N SER A 44 -0.432 15.834 -1.230 1.00 1.01 N ATOM 610 CA SER A 44 -0.354 14.677 -0.352 1.00 1.04 C ATOM 611 C SER A 44 1.013 13.999 -0.446 1.00 1.07 C ATOM 612 O SER A 44 1.104 12.792 -0.232 1.00 1.50 O ATOM 613 CB SER A 44 -1.488 13.711 -0.681 1.00 1.28 C ATOM 614 OG SER A 44 -1.386 13.246 -2.010 1.00 1.93 O ATOM 0 H SER A 44 -0.613 15.617 -2.210 1.00 1.01 H new ATOM 0 HA SER A 44 -0.468 15.007 0.681 1.00 1.04 H new ATOM 0 HB2 SER A 44 -1.462 12.866 0.007 1.00 1.28 H new ATOM 0 HB3 SER A 44 -2.447 14.208 -0.538 1.00 1.28 H new ATOM 0 HG SER A 44 -2.181 13.519 -2.514 1.00 1.93 H new ATOM 620 N PHE A 45 2.077 14.748 -0.746 1.00 1.08 N ATOM 621 CA PHE A 45 3.436 14.253 -0.688 1.00 1.52 C ATOM 622 C PHE A 45 4.246 15.173 0.223 1.00 1.30 C ATOM 623 O PHE A 45 4.873 16.133 -0.208 1.00 1.64 O ATOM 624 CB PHE A 45 4.028 14.079 -2.097 1.00 2.38 C ATOM 625 CG PHE A 45 3.548 12.855 -2.864 1.00 3.70 C ATOM 626 CD1 PHE A 45 3.279 12.938 -4.244 1.00 3.49 C ATOM 627 CD2 PHE A 45 3.430 11.609 -2.216 1.00 5.80 C ATOM 628 CE1 PHE A 45 2.907 11.787 -4.962 1.00 5.27 C ATOM 629 CE2 PHE A 45 3.043 10.464 -2.928 1.00 7.46 C ATOM 630 CZ PHE A 45 2.793 10.551 -4.305 1.00 7.16 C ATOM 0 H PHE A 45 2.008 15.723 -1.038 1.00 1.08 H new ATOM 0 HA PHE A 45 3.464 13.253 -0.255 1.00 1.52 H new ATOM 0 HB2 PHE A 45 3.794 14.968 -2.683 1.00 2.38 H new ATOM 0 HB3 PHE A 45 5.114 14.030 -2.012 1.00 2.38 H new ATOM 0 HD1 PHE A 45 3.359 13.888 -4.752 1.00 3.49 H new ATOM 0 HD2 PHE A 45 3.640 11.535 -1.159 1.00 5.80 H new ATOM 0 HE1 PHE A 45 2.708 11.854 -6.021 1.00 5.27 H new ATOM 0 HE2 PHE A 45 2.938 9.518 -2.417 1.00 7.46 H new ATOM 0 HZ PHE A 45 2.513 9.668 -4.860 1.00 7.16 H new ATOM 640 N ASP A 46 4.234 14.803 1.504 1.00 1.32 N ATOM 641 CA ASP A 46 5.089 15.314 2.578 1.00 1.78 C ATOM 642 C ASP A 46 6.533 14.933 2.260 1.00 1.78 C ATOM 643 O ASP A 46 7.443 15.677 2.608 1.00 2.53 O ATOM 644 CB ASP A 46 4.711 14.690 3.951 1.00 2.29 C ATOM 645 CG ASP A 46 3.980 15.612 4.942 1.00 3.18 C ATOM 646 OD1 ASP A 46 3.970 15.275 6.158 1.00 4.09 O ATOM 647 OD2 ASP A 46 3.438 16.641 4.497 1.00 3.88 O ATOM 0 H ASP A 46 3.585 14.092 1.842 1.00 1.32 H new ATOM 0 HA ASP A 46 4.960 16.395 2.641 1.00 1.78 H new ATOM 0 HB2 ASP A 46 4.083 13.818 3.769 1.00 2.29 H new ATOM 0 HB3 ASP A 46 5.624 14.332 4.427 1.00 2.29 H new ATOM 652 N LEU A 47 6.725 13.734 1.677 1.00 1.32 N ATOM 653 CA LEU A 47 8.000 13.081 1.347 1.00 1.32 C ATOM 654 C LEU A 47 9.088 13.399 2.369 1.00 1.24 C ATOM 655 O LEU A 47 10.242 13.686 2.058 1.00 1.28 O ATOM 656 CB LEU A 47 8.400 13.218 -0.136 1.00 1.35 C ATOM 657 CG LEU A 47 7.863 14.467 -0.836 1.00 1.43 C ATOM 658 CD1 LEU A 47 8.572 15.746 -0.403 1.00 1.98 C ATOM 659 CD2 LEU A 47 7.963 14.292 -2.349 1.00 1.66 C ATOM 0 H LEU A 47 5.930 13.155 1.405 1.00 1.32 H new ATOM 0 HA LEU A 47 7.848 12.006 1.445 1.00 1.32 H new ATOM 0 HB2 LEU A 47 9.488 13.220 -0.205 1.00 1.35 H new ATOM 0 HB3 LEU A 47 8.048 12.338 -0.675 1.00 1.35 H new ATOM 0 HG LEU A 47 6.820 14.577 -0.541 1.00 1.43 H new ATOM 0 HD11 LEU A 47 8.146 16.596 -0.935 1.00 1.98 H new ATOM 0 HD12 LEU A 47 8.443 15.888 0.670 1.00 1.98 H new ATOM 0 HD13 LEU A 47 9.634 15.669 -0.634 1.00 1.98 H new ATOM 0 HD21 LEU A 47 7.579 15.184 -2.845 1.00 1.66 H new ATOM 0 HD22 LEU A 47 9.005 14.141 -2.630 1.00 1.66 H new ATOM 0 HD23 LEU A 47 7.376 13.426 -2.655 1.00 1.66 H new ATOM 671 N GLN A 48 8.678 13.280 3.627 1.00 1.22 N ATOM 672 CA GLN A 48 9.544 13.388 4.783 1.00 1.24 C ATOM 673 C GLN A 48 10.317 12.083 4.967 1.00 1.15 C ATOM 674 O GLN A 48 9.900 11.038 4.471 1.00 1.04 O ATOM 675 CB GLN A 48 8.686 13.663 6.027 1.00 1.31 C ATOM 676 CG GLN A 48 8.414 15.161 6.183 1.00 2.06 C ATOM 677 CD GLN A 48 7.872 15.459 7.576 1.00 2.58 C ATOM 678 OE1 GLN A 48 8.637 15.558 8.528 1.00 3.21 O ATOM 679 NE2 GLN A 48 6.562 15.588 7.751 1.00 3.28 N ATOM 0 H GLN A 48 7.704 13.100 3.872 1.00 1.22 H new ATOM 0 HA GLN A 48 10.252 14.204 4.639 1.00 1.24 H new ATOM 0 HB2 GLN A 48 7.742 13.124 5.949 1.00 1.31 H new ATOM 0 HB3 GLN A 48 9.195 13.287 6.915 1.00 1.31 H new ATOM 0 HG2 GLN A 48 9.332 15.724 6.015 1.00 2.06 H new ATOM 0 HG3 GLN A 48 7.698 15.488 5.429 1.00 2.06 H new ATOM 0 HE21 GLN A 48 5.930 15.505 6.954 1.00 3.28 H new ATOM 0 HE22 GLN A 48 6.187 15.771 8.682 1.00 3.28 H new ATOM 688 N PRO A 49 11.417 12.116 5.726 1.00 1.25 N ATOM 689 CA PRO A 49 12.136 10.912 6.091 1.00 1.22 C ATOM 690 C PRO A 49 11.257 10.045 6.994 1.00 1.06 C ATOM 691 O PRO A 49 10.688 10.547 7.963 1.00 1.20 O ATOM 692 CB PRO A 49 13.403 11.403 6.798 1.00 1.43 C ATOM 693 CG PRO A 49 12.991 12.757 7.376 1.00 1.53 C ATOM 694 CD PRO A 49 12.017 13.294 6.329 1.00 1.42 C ATOM 0 HA PRO A 49 12.396 10.287 5.236 1.00 1.22 H new ATOM 0 HB2 PRO A 49 13.719 10.713 7.580 1.00 1.43 H new ATOM 0 HB3 PRO A 49 14.237 11.501 6.103 1.00 1.43 H new ATOM 0 HG2 PRO A 49 12.517 12.652 8.352 1.00 1.53 H new ATOM 0 HG3 PRO A 49 13.848 13.418 7.507 1.00 1.53 H new ATOM 0 HD2 PRO A 49 11.260 13.931 6.786 1.00 1.42 H new ATOM 0 HD3 PRO A 49 12.534 13.898 5.583 1.00 1.42 H new ATOM 702 N ILE A 50 11.152 8.743 6.710 1.00 0.86 N ATOM 703 CA ILE A 50 10.425 7.799 7.536 1.00 0.79 C ATOM 704 C ILE A 50 11.393 6.680 7.913 1.00 0.74 C ATOM 705 O ILE A 50 12.361 6.394 7.203 1.00 0.73 O ATOM 706 CB ILE A 50 9.168 7.277 6.817 1.00 0.76 C ATOM 707 CG1 ILE A 50 8.337 8.461 6.278 1.00 0.86 C ATOM 708 CG2 ILE A 50 8.337 6.439 7.783 1.00 0.73 C ATOM 709 CD1 ILE A 50 7.057 8.045 5.552 1.00 1.18 C ATOM 0 H ILE A 50 11.579 8.318 5.887 1.00 0.86 H new ATOM 0 HA ILE A 50 10.059 8.282 8.442 1.00 0.79 H new ATOM 0 HB ILE A 50 9.467 6.653 5.975 1.00 0.76 H new ATOM 0 HG12 ILE A 50 8.074 9.115 7.109 1.00 0.86 H new ATOM 0 HG13 ILE A 50 8.955 9.045 5.596 1.00 0.86 H new ATOM 0 HG21 ILE A 50 7.447 6.070 7.272 1.00 0.73 H new ATOM 0 HG22 ILE A 50 8.930 5.595 8.135 1.00 0.73 H new ATOM 0 HG23 ILE A 50 8.039 7.052 8.633 1.00 0.73 H new ATOM 0 HD11 ILE A 50 6.531 8.934 5.204 1.00 1.18 H new ATOM 0 HD12 ILE A 50 7.311 7.416 4.699 1.00 1.18 H new ATOM 0 HD13 ILE A 50 6.416 7.488 6.235 1.00 1.18 H new ATOM 721 N GLU A 51 11.128 6.054 9.053 1.00 0.74 N ATOM 722 CA GLU A 51 11.861 4.910 9.533 1.00 0.73 C ATOM 723 C GLU A 51 11.603 3.701 8.634 1.00 0.66 C ATOM 724 O GLU A 51 10.643 3.651 7.870 1.00 0.94 O ATOM 725 CB GLU A 51 11.372 4.612 10.949 1.00 0.79 C ATOM 726 CG GLU A 51 12.321 5.110 12.050 1.00 1.02 C ATOM 727 CD GLU A 51 11.534 5.698 13.227 1.00 1.51 C ATOM 728 OE1 GLU A 51 11.498 5.060 14.303 1.00 2.32 O ATOM 729 OE2 GLU A 51 10.863 6.736 13.023 1.00 2.46 O ATOM 0 H GLU A 51 10.376 6.343 9.679 1.00 0.74 H new ATOM 0 HA GLU A 51 12.931 5.116 9.527 1.00 0.73 H new ATOM 0 HB2 GLU A 51 10.394 5.072 11.090 1.00 0.79 H new ATOM 0 HB3 GLU A 51 11.237 3.536 11.058 1.00 0.79 H new ATOM 0 HG2 GLU A 51 12.943 4.286 12.399 1.00 1.02 H new ATOM 0 HG3 GLU A 51 12.992 5.866 11.642 1.00 1.02 H new ATOM 736 N VAL A 52 12.443 2.684 8.774 1.00 0.53 N ATOM 737 CA VAL A 52 12.369 1.476 7.984 1.00 0.50 C ATOM 738 C VAL A 52 11.500 0.485 8.741 1.00 0.48 C ATOM 739 O VAL A 52 11.925 -0.104 9.728 1.00 0.60 O ATOM 740 CB VAL A 52 13.792 0.960 7.708 1.00 0.62 C ATOM 741 CG1 VAL A 52 13.788 -0.305 6.852 1.00 0.95 C ATOM 742 CG2 VAL A 52 14.605 2.025 6.961 1.00 0.92 C ATOM 0 H VAL A 52 13.205 2.682 9.452 1.00 0.53 H new ATOM 0 HA VAL A 52 11.913 1.647 7.009 1.00 0.50 H new ATOM 0 HB VAL A 52 14.236 0.735 8.678 1.00 0.62 H new ATOM 0 HG11 VAL A 52 14.814 -0.633 6.683 1.00 0.95 H new ATOM 0 HG12 VAL A 52 13.236 -1.091 7.367 1.00 0.95 H new ATOM 0 HG13 VAL A 52 13.312 -0.095 5.894 1.00 0.95 H new ATOM 0 HG21 VAL A 52 15.610 1.649 6.771 1.00 0.92 H new ATOM 0 HG22 VAL A 52 14.119 2.255 6.013 1.00 0.92 H new ATOM 0 HG23 VAL A 52 14.665 2.929 7.567 1.00 0.92 H new ATOM 752 N GLY A 53 10.255 0.374 8.287 1.00 0.47 N ATOM 753 CA GLY A 53 9.241 -0.527 8.817 1.00 0.62 C ATOM 754 C GLY A 53 8.004 0.260 9.233 1.00 0.66 C ATOM 755 O GLY A 53 6.876 -0.221 9.152 1.00 1.15 O ATOM 0 H GLY A 53 9.912 0.934 7.506 1.00 0.47 H new ATOM 0 HA2 GLY A 53 8.973 -1.268 8.064 1.00 0.62 H new ATOM 0 HA3 GLY A 53 9.639 -1.072 9.673 1.00 0.62 H new ATOM 759 N LYS A 54 8.210 1.494 9.690 1.00 0.34 N ATOM 760 CA LYS A 54 7.143 2.288 10.265 1.00 0.32 C ATOM 761 C LYS A 54 6.384 2.968 9.142 1.00 0.30 C ATOM 762 O LYS A 54 6.976 3.489 8.200 1.00 0.35 O ATOM 763 CB LYS A 54 7.736 3.324 11.224 1.00 0.42 C ATOM 764 CG LYS A 54 8.041 2.690 12.587 1.00 2.01 C ATOM 765 CD LYS A 54 9.305 3.282 13.205 1.00 3.06 C ATOM 766 CE LYS A 54 9.446 2.992 14.701 1.00 4.03 C ATOM 767 NZ LYS A 54 9.172 4.195 15.511 1.00 4.17 N ATOM 0 H LYS A 54 9.116 1.962 9.670 1.00 0.34 H new ATOM 0 HA LYS A 54 6.458 1.653 10.827 1.00 0.32 H new ATOM 0 HB2 LYS A 54 8.649 3.740 10.798 1.00 0.42 H new ATOM 0 HB3 LYS A 54 7.038 4.151 11.350 1.00 0.42 H new ATOM 0 HG2 LYS A 54 7.198 2.846 13.260 1.00 2.01 H new ATOM 0 HG3 LYS A 54 8.161 1.613 12.471 1.00 2.01 H new ATOM 0 HD2 LYS A 54 10.176 2.886 12.682 1.00 3.06 H new ATOM 0 HD3 LYS A 54 9.305 4.361 13.051 1.00 3.06 H new ATOM 0 HE2 LYS A 54 8.758 2.196 14.985 1.00 4.03 H new ATOM 0 HE3 LYS A 54 10.454 2.632 14.910 1.00 4.03 H new ATOM 0 HZ1 LYS A 54 9.243 3.957 16.521 1.00 4.17 H new ATOM 0 HZ2 LYS A 54 9.866 4.934 15.280 1.00 4.17 H new ATOM 0 HZ3 LYS A 54 8.214 4.542 15.303 1.00 4.17 H new ATOM 781 N ALA A 55 5.068 3.022 9.289 1.00 0.33 N ATOM 782 CA ALA A 55 4.224 3.831 8.422 1.00 0.35 C ATOM 783 C ALA A 55 3.936 5.163 9.118 1.00 0.37 C ATOM 784 O ALA A 55 3.834 5.217 10.344 1.00 0.43 O ATOM 785 CB ALA A 55 2.932 3.068 8.116 1.00 0.42 C ATOM 0 H ALA A 55 4.558 2.509 10.008 1.00 0.33 H new ATOM 0 HA ALA A 55 4.726 4.035 7.476 1.00 0.35 H new ATOM 0 HB1 ALA A 55 2.298 3.672 7.467 1.00 0.42 H new ATOM 0 HB2 ALA A 55 3.173 2.129 7.617 1.00 0.42 H new ATOM 0 HB3 ALA A 55 2.404 2.859 9.046 1.00 0.42 H new ATOM 791 N ARG A 56 3.788 6.240 8.343 1.00 0.35 N ATOM 792 CA ARG A 56 3.367 7.550 8.825 1.00 0.35 C ATOM 793 C ARG A 56 2.215 7.995 7.926 1.00 0.35 C ATOM 794 O ARG A 56 2.342 7.945 6.706 1.00 0.39 O ATOM 795 CB ARG A 56 4.535 8.552 8.726 1.00 0.45 C ATOM 796 CG ARG A 56 4.911 9.249 10.042 1.00 0.92 C ATOM 797 CD ARG A 56 6.005 8.497 10.812 1.00 2.40 C ATOM 798 NE ARG A 56 6.726 9.397 11.729 1.00 2.62 N ATOM 799 CZ ARG A 56 7.924 9.142 12.271 1.00 3.84 C ATOM 800 NH1 ARG A 56 8.576 10.085 12.954 1.00 4.04 N ATOM 801 NH2 ARG A 56 8.473 7.940 12.129 1.00 5.32 N ATOM 0 H ARG A 56 3.963 6.221 7.338 1.00 0.35 H new ATOM 0 HA ARG A 56 3.057 7.505 9.869 1.00 0.35 H new ATOM 0 HB2 ARG A 56 5.412 8.027 8.348 1.00 0.45 H new ATOM 0 HB3 ARG A 56 4.278 9.314 7.990 1.00 0.45 H new ATOM 0 HG2 ARG A 56 5.252 10.262 9.829 1.00 0.92 H new ATOM 0 HG3 ARG A 56 4.024 9.337 10.670 1.00 0.92 H new ATOM 0 HD2 ARG A 56 5.559 7.679 11.377 1.00 2.40 H new ATOM 0 HD3 ARG A 56 6.708 8.051 10.108 1.00 2.40 H new ATOM 0 HE ARG A 56 6.279 10.282 11.969 1.00 2.62 H new ATOM 0 HH11 ARG A 56 8.163 11.011 13.067 1.00 4.04 H new ATOM 0 HH12 ARG A 56 9.488 9.880 13.363 1.00 4.04 H new ATOM 0 HH21 ARG A 56 7.982 7.213 11.608 1.00 5.32 H new ATOM 0 HH22 ARG A 56 9.385 7.744 12.541 1.00 5.32 H new ATOM 815 N LEU A 57 1.093 8.428 8.494 1.00 0.36 N ATOM 816 CA LEU A 57 0.058 9.081 7.705 1.00 0.40 C ATOM 817 C LEU A 57 0.502 10.496 7.340 1.00 0.46 C ATOM 818 O LEU A 57 1.267 11.111 8.083 1.00 0.55 O ATOM 819 CB LEU A 57 -1.308 9.071 8.411 1.00 0.51 C ATOM 820 CG LEU A 57 -1.326 9.656 9.833 1.00 0.83 C ATOM 821 CD1 LEU A 57 -2.601 10.475 10.047 1.00 1.64 C ATOM 822 CD2 LEU A 57 -1.304 8.531 10.875 1.00 1.32 C ATOM 0 H LEU A 57 0.880 8.339 9.488 1.00 0.36 H new ATOM 0 HA LEU A 57 -0.079 8.512 6.785 1.00 0.40 H new ATOM 0 HB2 LEU A 57 -2.017 9.629 7.799 1.00 0.51 H new ATOM 0 HB3 LEU A 57 -1.666 8.042 8.456 1.00 0.51 H new ATOM 0 HG LEU A 57 -0.445 10.288 9.948 1.00 0.83 H new ATOM 0 HD11 LEU A 57 -2.605 10.885 11.057 1.00 1.64 H new ATOM 0 HD12 LEU A 57 -2.636 11.290 9.324 1.00 1.64 H new ATOM 0 HD13 LEU A 57 -3.472 9.834 9.913 1.00 1.64 H new ATOM 0 HD21 LEU A 57 -1.317 8.962 11.876 1.00 1.32 H new ATOM 0 HD22 LEU A 57 -2.179 7.895 10.742 1.00 1.32 H new ATOM 0 HD23 LEU A 57 -0.400 7.935 10.748 1.00 1.32 H new ATOM 834 N VAL A 58 0.012 11.020 6.214 1.00 0.52 N ATOM 835 CA VAL A 58 0.318 12.359 5.758 1.00 0.63 C ATOM 836 C VAL A 58 -1.012 13.092 5.613 1.00 0.62 C ATOM 837 O VAL A 58 -2.019 12.510 5.204 1.00 0.67 O ATOM 838 CB VAL A 58 1.150 12.313 4.465 1.00 0.77 C ATOM 839 CG1 VAL A 58 2.356 11.380 4.627 1.00 1.45 C ATOM 840 CG2 VAL A 58 0.354 11.865 3.238 1.00 0.97 C ATOM 0 H VAL A 58 -0.616 10.511 5.592 1.00 0.52 H new ATOM 0 HA VAL A 58 0.940 12.903 6.469 1.00 0.63 H new ATOM 0 HB VAL A 58 1.474 13.340 4.295 1.00 0.77 H new ATOM 0 HG11 VAL A 58 2.930 11.363 3.700 1.00 1.45 H new ATOM 0 HG12 VAL A 58 2.988 11.740 5.439 1.00 1.45 H new ATOM 0 HG13 VAL A 58 2.009 10.373 4.857 1.00 1.45 H new ATOM 0 HG21 VAL A 58 1.006 11.857 2.364 1.00 0.97 H new ATOM 0 HG22 VAL A 58 -0.040 10.863 3.406 1.00 0.97 H new ATOM 0 HG23 VAL A 58 -0.472 12.556 3.068 1.00 0.97 H new ATOM 850 N LYS A 59 -1.040 14.368 5.992 1.00 0.81 N ATOM 851 CA LYS A 59 -2.268 15.132 5.980 1.00 0.89 C ATOM 852 C LYS A 59 -2.268 15.915 4.675 1.00 0.95 C ATOM 853 O LYS A 59 -1.442 16.800 4.494 1.00 1.47 O ATOM 854 CB LYS A 59 -2.436 15.988 7.254 1.00 1.29 C ATOM 855 CG LYS A 59 -1.360 17.037 7.611 1.00 2.44 C ATOM 856 CD LYS A 59 -0.308 16.613 8.651 1.00 3.08 C ATOM 857 CE LYS A 59 0.785 15.734 8.028 1.00 4.63 C ATOM 858 NZ LYS A 59 2.047 15.724 8.795 1.00 5.83 N ATOM 0 H LYS A 59 -0.222 14.887 6.310 1.00 0.81 H new ATOM 0 HA LYS A 59 -3.148 14.489 6.009 1.00 0.89 H new ATOM 0 HB2 LYS A 59 -3.389 16.511 7.173 1.00 1.29 H new ATOM 0 HB3 LYS A 59 -2.519 15.304 8.099 1.00 1.29 H new ATOM 0 HG2 LYS A 59 -0.840 17.319 6.695 1.00 2.44 H new ATOM 0 HG3 LYS A 59 -1.863 17.931 7.979 1.00 2.44 H new ATOM 0 HD2 LYS A 59 0.146 17.500 9.092 1.00 3.08 H new ATOM 0 HD3 LYS A 59 -0.795 16.069 9.460 1.00 3.08 H new ATOM 0 HE2 LYS A 59 0.413 14.713 7.943 1.00 4.63 H new ATOM 0 HE3 LYS A 59 0.988 16.084 7.016 1.00 4.63 H new ATOM 0 HZ1 LYS A 59 2.845 15.560 8.148 1.00 5.83 H new ATOM 0 HZ2 LYS A 59 2.171 16.640 9.272 1.00 5.83 H new ATOM 0 HZ3 LYS A 59 2.015 14.965 9.505 1.00 5.83 H new ATOM 872 N GLY A 60 -3.149 15.556 3.745 1.00 0.79 N ATOM 873 CA GLY A 60 -3.285 16.266 2.497 1.00 1.00 C ATOM 874 C GLY A 60 -4.508 17.148 2.648 1.00 0.87 C ATOM 875 O GLY A 60 -5.557 16.682 3.087 1.00 0.82 O ATOM 0 H GLY A 60 -3.784 14.764 3.845 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -2.397 16.863 2.289 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -3.405 15.572 1.665 1.00 1.00 H new ATOM 879 N ALA A 61 -4.383 18.423 2.292 1.00 0.93 N ATOM 880 CA ALA A 61 -5.506 19.349 2.375 1.00 0.92 C ATOM 881 C ALA A 61 -6.672 18.867 1.510 1.00 0.81 C ATOM 882 O ALA A 61 -7.832 19.071 1.855 1.00 0.85 O ATOM 883 CB ALA A 61 -5.052 20.755 1.974 1.00 1.10 C ATOM 0 H ALA A 61 -3.518 18.837 1.944 1.00 0.93 H new ATOM 0 HA ALA A 61 -5.861 19.386 3.405 1.00 0.92 H new ATOM 0 HB1 ALA A 61 -5.896 21.442 2.038 1.00 1.10 H new ATOM 0 HB2 ALA A 61 -4.261 21.088 2.646 1.00 1.10 H new ATOM 0 HB3 ALA A 61 -4.675 20.738 0.951 1.00 1.10 H new ATOM 889 N ALA A 62 -6.359 18.218 0.387 1.00 0.80 N ATOM 890 CA ALA A 62 -7.355 17.608 -0.475 1.00 0.82 C ATOM 891 C ALA A 62 -8.063 16.449 0.235 1.00 0.79 C ATOM 892 O ALA A 62 -9.288 16.365 0.212 1.00 0.86 O ATOM 893 CB ALA A 62 -6.677 17.135 -1.766 1.00 0.96 C ATOM 0 H ALA A 62 -5.401 18.104 0.055 1.00 0.80 H new ATOM 0 HA ALA A 62 -8.118 18.346 -0.721 1.00 0.82 H new ATOM 0 HB1 ALA A 62 -7.419 16.675 -2.419 1.00 0.96 H new ATOM 0 HB2 ALA A 62 -6.225 17.988 -2.273 1.00 0.96 H new ATOM 0 HB3 ALA A 62 -5.904 16.405 -1.525 1.00 0.96 H new ATOM 899 N LYS A 63 -7.301 15.502 0.794 1.00 0.74 N ATOM 900 CA LYS A 63 -7.795 14.318 1.463 1.00 0.72 C ATOM 901 C LYS A 63 -6.665 13.661 2.262 1.00 0.68 C ATOM 902 O LYS A 63 -5.495 13.988 2.068 1.00 0.66 O ATOM 903 CB LYS A 63 -8.393 13.363 0.427 1.00 0.86 C ATOM 904 CG LYS A 63 -7.734 13.345 -0.962 1.00 2.31 C ATOM 905 CD LYS A 63 -8.315 12.193 -1.794 1.00 3.27 C ATOM 906 CE LYS A 63 -7.817 12.268 -3.241 1.00 5.41 C ATOM 907 NZ LYS A 63 -8.831 12.743 -4.209 1.00 6.44 N ATOM 0 H LYS A 63 -6.282 15.553 0.786 1.00 0.74 H new ATOM 0 HA LYS A 63 -8.581 14.586 2.169 1.00 0.72 H new ATOM 0 HB2 LYS A 63 -8.354 12.353 0.834 1.00 0.86 H new ATOM 0 HB3 LYS A 63 -9.446 13.616 0.300 1.00 0.86 H new ATOM 0 HG2 LYS A 63 -7.905 14.295 -1.469 1.00 2.31 H new ATOM 0 HG3 LYS A 63 -6.655 13.226 -0.862 1.00 2.31 H new ATOM 0 HD2 LYS A 63 -8.027 11.238 -1.354 1.00 3.27 H new ATOM 0 HD3 LYS A 63 -9.404 12.237 -1.776 1.00 3.27 H new ATOM 0 HE2 LYS A 63 -6.953 12.932 -3.282 1.00 5.41 H new ATOM 0 HE3 LYS A 63 -7.474 11.280 -3.547 1.00 5.41 H new ATOM 0 HZ1 LYS A 63 -8.909 12.063 -4.992 1.00 6.44 H new ATOM 0 HZ2 LYS A 63 -9.751 12.830 -3.733 1.00 6.44 H new ATOM 0 HZ3 LYS A 63 -8.546 13.670 -4.584 1.00 6.44 H new ATOM 921 N HIS A 64 -7.012 12.735 3.159 1.00 0.77 N ATOM 922 CA HIS A 64 -6.047 12.020 3.988 1.00 0.72 C ATOM 923 C HIS A 64 -5.328 10.959 3.158 1.00 0.58 C ATOM 924 O HIS A 64 -5.969 10.269 2.366 1.00 0.68 O ATOM 925 CB HIS A 64 -6.774 11.318 5.142 1.00 0.89 C ATOM 926 CG HIS A 64 -7.745 12.177 5.909 1.00 1.36 C ATOM 927 ND1 HIS A 64 -8.901 11.725 6.506 1.00 2.02 N ATOM 928 CD2 HIS A 64 -7.661 13.526 6.130 1.00 1.34 C ATOM 929 CE1 HIS A 64 -9.498 12.785 7.078 1.00 2.32 C ATOM 930 NE2 HIS A 64 -8.783 13.902 6.873 1.00 1.92 N ATOM 0 H HIS A 64 -7.979 12.460 3.329 1.00 0.77 H new ATOM 0 HA HIS A 64 -5.326 12.739 4.378 1.00 0.72 H new ATOM 0 HB2 HIS A 64 -7.312 10.459 4.741 1.00 0.89 H new ATOM 0 HB3 HIS A 64 -6.029 10.931 5.837 1.00 0.89 H new ATOM 0 HD2 HIS A 64 -6.871 14.180 5.792 1.00 1.34 H new ATOM 0 HE1 HIS A 64 -10.427 12.743 7.628 1.00 2.32 H new ATOM 0 HE2 HIS A 64 -9.013 14.842 7.196 1.00 1.92 H new ATOM 938 N ILE A 65 -4.022 10.778 3.366 1.00 0.48 N ATOM 939 CA ILE A 65 -3.251 9.723 2.721 1.00 0.39 C ATOM 940 C ILE A 65 -2.429 9.030 3.804 1.00 0.38 C ATOM 941 O ILE A 65 -2.166 9.609 4.853 1.00 0.48 O ATOM 942 CB ILE A 65 -2.417 10.311 1.556 1.00 0.38 C ATOM 943 CG1 ILE A 65 -3.266 10.621 0.308 1.00 0.60 C ATOM 944 CG2 ILE A 65 -1.312 9.381 1.053 1.00 0.46 C ATOM 945 CD1 ILE A 65 -3.995 11.953 0.408 1.00 0.89 C ATOM 0 H ILE A 65 -3.470 11.365 3.991 1.00 0.48 H new ATOM 0 HA ILE A 65 -3.887 8.969 2.257 1.00 0.39 H new ATOM 0 HB ILE A 65 -1.996 11.213 1.999 1.00 0.38 H new ATOM 0 HG12 ILE A 65 -2.622 10.629 -0.571 1.00 0.60 H new ATOM 0 HG13 ILE A 65 -3.994 9.823 0.162 1.00 0.60 H new ATOM 0 HG21 ILE A 65 -0.773 9.864 0.238 1.00 0.46 H new ATOM 0 HG22 ILE A 65 -0.620 9.164 1.867 1.00 0.46 H new ATOM 0 HG23 ILE A 65 -1.754 8.451 0.695 1.00 0.46 H new ATOM 0 HD11 ILE A 65 -4.577 12.118 -0.499 1.00 0.89 H new ATOM 0 HD12 ILE A 65 -4.662 11.939 1.270 1.00 0.89 H new ATOM 0 HD13 ILE A 65 -3.269 12.757 0.525 1.00 0.89 H new ATOM 957 N ILE A 66 -2.029 7.781 3.572 1.00 0.34 N ATOM 958 CA ILE A 66 -1.227 6.996 4.492 1.00 0.36 C ATOM 959 C ILE A 66 0.020 6.584 3.716 1.00 0.37 C ATOM 960 O ILE A 66 -0.081 6.254 2.535 1.00 0.40 O ATOM 961 CB ILE A 66 -2.010 5.777 5.015 1.00 0.41 C ATOM 962 CG1 ILE A 66 -3.471 6.069 5.419 1.00 0.47 C ATOM 963 CG2 ILE A 66 -1.265 5.128 6.190 1.00 0.48 C ATOM 964 CD1 ILE A 66 -3.618 6.981 6.636 1.00 0.46 C ATOM 0 H ILE A 66 -2.263 7.279 2.715 1.00 0.34 H new ATOM 0 HA ILE A 66 -0.958 7.571 5.378 1.00 0.36 H new ATOM 0 HB ILE A 66 -2.068 5.091 4.170 1.00 0.41 H new ATOM 0 HG12 ILE A 66 -3.985 6.526 4.573 1.00 0.47 H new ATOM 0 HG13 ILE A 66 -3.974 5.124 5.625 1.00 0.47 H new ATOM 0 HG21 ILE A 66 -1.830 4.268 6.549 1.00 0.48 H new ATOM 0 HG22 ILE A 66 -0.279 4.802 5.860 1.00 0.48 H new ATOM 0 HG23 ILE A 66 -1.156 5.853 6.997 1.00 0.48 H new ATOM 0 HD11 ILE A 66 -4.676 7.134 6.850 1.00 0.46 H new ATOM 0 HD12 ILE A 66 -3.136 6.519 7.497 1.00 0.46 H new ATOM 0 HD13 ILE A 66 -3.147 7.942 6.429 1.00 0.46 H new ATOM 976 N HIS A 67 1.194 6.611 4.347 1.00 0.39 N ATOM 977 CA HIS A 67 2.457 6.326 3.680 1.00 0.41 C ATOM 978 C HIS A 67 3.166 5.230 4.458 1.00 0.39 C ATOM 979 O HIS A 67 3.187 5.241 5.687 1.00 0.55 O ATOM 980 CB HIS A 67 3.310 7.602 3.580 1.00 0.51 C ATOM 981 CG HIS A 67 3.302 8.237 2.210 1.00 0.99 C ATOM 982 ND1 HIS A 67 4.368 8.865 1.604 1.00 1.75 N ATOM 983 CD2 HIS A 67 2.262 8.253 1.320 1.00 1.66 C ATOM 984 CE1 HIS A 67 3.977 9.224 0.374 1.00 2.34 C ATOM 985 NE2 HIS A 67 2.699 8.879 0.151 1.00 2.32 N ATOM 0 H HIS A 67 1.292 6.832 5.338 1.00 0.39 H new ATOM 0 HA HIS A 67 2.283 5.983 2.660 1.00 0.41 H new ATOM 0 HB2 HIS A 67 2.948 8.328 4.308 1.00 0.51 H new ATOM 0 HB3 HIS A 67 4.338 7.363 3.853 1.00 0.51 H new ATOM 0 HD1 HIS A 67 5.287 9.027 2.016 1.00 1.75 H new ATOM 0 HD2 HIS A 67 1.275 7.851 1.492 1.00 1.66 H new ATOM 0 HE1 HIS A 67 4.608 9.726 -0.345 1.00 2.34 H new ATOM 993 N ALA A 68 3.732 4.265 3.739 1.00 0.39 N ATOM 994 CA ALA A 68 4.273 3.052 4.323 1.00 0.39 C ATOM 995 C ALA A 68 5.623 2.724 3.700 1.00 0.33 C ATOM 996 O ALA A 68 5.871 3.005 2.527 1.00 0.42 O ATOM 997 CB ALA A 68 3.282 1.913 4.091 1.00 0.49 C ATOM 0 H ALA A 68 3.827 4.308 2.724 1.00 0.39 H new ATOM 0 HA ALA A 68 4.423 3.191 5.394 1.00 0.39 H new ATOM 0 HB1 ALA A 68 3.676 0.994 4.525 1.00 0.49 H new ATOM 0 HB2 ALA A 68 2.330 2.158 4.562 1.00 0.49 H new ATOM 0 HB3 ALA A 68 3.132 1.773 3.020 1.00 0.49 H new ATOM 1003 N VAL A 69 6.503 2.100 4.476 1.00 0.40 N ATOM 1004 CA VAL A 69 7.799 1.694 4.022 1.00 0.47 C ATOM 1005 C VAL A 69 7.727 0.190 3.829 1.00 0.61 C ATOM 1006 O VAL A 69 7.477 -0.545 4.778 1.00 0.79 O ATOM 1007 CB VAL A 69 8.818 2.142 5.072 1.00 0.57 C ATOM 1008 CG1 VAL A 69 10.180 1.591 4.683 1.00 1.36 C ATOM 1009 CG2 VAL A 69 8.808 3.674 5.143 1.00 1.39 C ATOM 0 H VAL A 69 6.319 1.865 5.451 1.00 0.40 H new ATOM 0 HA VAL A 69 8.108 2.141 3.077 1.00 0.47 H new ATOM 0 HB VAL A 69 8.571 1.762 6.063 1.00 0.57 H new ATOM 0 HG11 VAL A 69 10.921 1.900 5.420 1.00 1.36 H new ATOM 0 HG12 VAL A 69 10.135 0.503 4.647 1.00 1.36 H new ATOM 0 HG13 VAL A 69 10.461 1.975 3.702 1.00 1.36 H new ATOM 0 HG21 VAL A 69 9.530 4.008 5.888 1.00 1.39 H new ATOM 0 HG22 VAL A 69 9.074 4.085 4.169 1.00 1.39 H new ATOM 0 HG23 VAL A 69 7.812 4.019 5.422 1.00 1.39 H new ATOM 1019 N GLY A 70 7.898 -0.251 2.584 1.00 0.81 N ATOM 1020 CA GLY A 70 7.930 -1.659 2.238 1.00 1.08 C ATOM 1021 C GLY A 70 9.378 -2.081 2.020 1.00 1.30 C ATOM 1022 O GLY A 70 10.236 -1.237 1.759 1.00 1.55 O ATOM 0 H GLY A 70 8.019 0.370 1.784 1.00 0.81 H new ATOM 0 HA2 GLY A 70 7.480 -2.253 3.033 1.00 1.08 H new ATOM 0 HA3 GLY A 70 7.345 -1.839 1.336 1.00 1.08 H new ATOM 1026 N PRO A 71 9.673 -3.378 2.135 1.00 1.65 N ATOM 1027 CA PRO A 71 11.004 -3.898 1.908 1.00 1.93 C ATOM 1028 C PRO A 71 11.297 -4.086 0.429 1.00 1.38 C ATOM 1029 O PRO A 71 10.418 -4.442 -0.360 1.00 1.37 O ATOM 1030 CB PRO A 71 11.029 -5.245 2.613 1.00 2.62 C ATOM 1031 CG PRO A 71 9.571 -5.706 2.566 1.00 2.60 C ATOM 1032 CD PRO A 71 8.767 -4.409 2.605 1.00 2.08 C ATOM 0 HA PRO A 71 11.759 -3.207 2.283 1.00 1.93 H new ATOM 0 HB2 PRO A 71 11.688 -5.950 2.107 1.00 2.62 H new ATOM 0 HB3 PRO A 71 11.387 -5.154 3.638 1.00 2.62 H new ATOM 0 HG2 PRO A 71 9.363 -6.277 1.661 1.00 2.60 H new ATOM 0 HG3 PRO A 71 9.329 -6.350 3.412 1.00 2.60 H new ATOM 0 HD2 PRO A 71 7.884 -4.475 1.969 1.00 2.08 H new ATOM 0 HD3 PRO A 71 8.417 -4.194 3.615 1.00 2.08 H new ATOM 1040 N ASN A 72 12.580 -3.945 0.087 1.00 1.19 N ATOM 1041 CA ASN A 72 13.066 -4.070 -1.265 1.00 0.94 C ATOM 1042 C ASN A 72 13.937 -5.312 -1.266 1.00 0.86 C ATOM 1043 O ASN A 72 15.120 -5.197 -0.989 1.00 0.90 O ATOM 1044 CB ASN A 72 13.883 -2.822 -1.660 1.00 1.26 C ATOM 1045 CG ASN A 72 13.117 -1.518 -1.476 1.00 1.84 C ATOM 1046 OD1 ASN A 72 11.900 -1.499 -1.470 1.00 2.73 O ATOM 1047 ND2 ASN A 72 13.804 -0.398 -1.312 1.00 2.77 N ATOM 0 H ASN A 72 13.314 -3.737 0.764 1.00 1.19 H new ATOM 0 HA ASN A 72 12.253 -4.151 -1.987 1.00 0.94 H new ATOM 0 HB2 ASN A 72 14.794 -2.788 -1.062 1.00 1.26 H new ATOM 0 HB3 ASN A 72 14.189 -2.912 -2.702 1.00 1.26 H new ATOM 0 HD21 ASN A 72 13.313 0.486 -1.180 1.00 2.77 H new ATOM 0 HD22 ASN A 72 14.824 -0.420 -1.318 1.00 2.77 H new ATOM 1054 N PHE A 73 13.394 -6.500 -1.537 1.00 0.83 N ATOM 1055 CA PHE A 73 14.211 -7.713 -1.674 1.00 0.84 C ATOM 1056 C PHE A 73 15.297 -7.522 -2.738 1.00 0.81 C ATOM 1057 O PHE A 73 16.393 -8.059 -2.621 1.00 0.95 O ATOM 1058 CB PHE A 73 13.336 -8.941 -1.942 1.00 0.96 C ATOM 1059 CG PHE A 73 14.095 -10.248 -2.071 1.00 2.17 C ATOM 1060 CD1 PHE A 73 14.544 -10.923 -0.921 1.00 3.36 C ATOM 1061 CD2 PHE A 73 14.341 -10.802 -3.343 1.00 3.29 C ATOM 1062 CE1 PHE A 73 15.210 -12.156 -1.046 1.00 4.62 C ATOM 1063 CE2 PHE A 73 15.013 -12.030 -3.464 1.00 4.62 C ATOM 1064 CZ PHE A 73 15.441 -12.712 -2.314 1.00 5.03 C ATOM 0 H PHE A 73 12.394 -6.651 -1.666 1.00 0.83 H new ATOM 0 HA PHE A 73 14.721 -7.894 -0.728 1.00 0.84 H new ATOM 0 HB2 PHE A 73 12.611 -9.036 -1.133 1.00 0.96 H new ATOM 0 HB3 PHE A 73 12.771 -8.774 -2.859 1.00 0.96 H new ATOM 0 HD1 PHE A 73 14.378 -10.495 0.057 1.00 3.36 H new ATOM 0 HD2 PHE A 73 14.011 -10.280 -4.229 1.00 3.29 H new ATOM 0 HE1 PHE A 73 15.545 -12.677 -0.162 1.00 4.62 H new ATOM 0 HE2 PHE A 73 15.200 -12.449 -4.442 1.00 4.62 H new ATOM 0 HZ PHE A 73 15.947 -13.662 -2.405 1.00 5.03 H new ATOM 1074 N ASN A 74 15.050 -6.670 -3.734 1.00 0.75 N ATOM 1075 CA ASN A 74 16.042 -6.332 -4.747 1.00 0.83 C ATOM 1076 C ASN A 74 17.313 -5.709 -4.151 1.00 1.05 C ATOM 1077 O ASN A 74 18.349 -5.644 -4.806 1.00 1.46 O ATOM 1078 CB ASN A 74 15.405 -5.387 -5.773 1.00 0.82 C ATOM 1079 CG ASN A 74 16.183 -5.359 -7.081 1.00 1.16 C ATOM 1080 OD1 ASN A 74 16.728 -6.364 -7.513 1.00 1.98 O ATOM 1081 ND2 ASN A 74 16.193 -4.225 -7.769 1.00 1.63 N ATOM 0 H ASN A 74 14.155 -6.196 -3.858 1.00 0.75 H new ATOM 0 HA ASN A 74 16.356 -7.257 -5.231 1.00 0.83 H new ATOM 0 HB2 ASN A 74 14.379 -5.701 -5.968 1.00 0.82 H new ATOM 0 HB3 ASN A 74 15.357 -4.380 -5.358 1.00 0.82 H new ATOM 0 HD21 ASN A 74 16.661 -4.182 -8.674 1.00 1.63 H new ATOM 0 HD22 ASN A 74 15.733 -3.396 -7.393 1.00 1.63 H new ATOM 1088 N LYS A 75 17.231 -5.215 -2.913 1.00 0.93 N ATOM 1089 CA LYS A 75 18.319 -4.602 -2.167 1.00 1.14 C ATOM 1090 C LYS A 75 18.337 -5.082 -0.708 1.00 0.99 C ATOM 1091 O LYS A 75 18.990 -4.450 0.118 1.00 1.05 O ATOM 1092 CB LYS A 75 18.147 -3.073 -2.260 1.00 1.41 C ATOM 1093 CG LYS A 75 18.999 -2.473 -3.382 1.00 1.72 C ATOM 1094 CD LYS A 75 20.448 -2.307 -2.914 1.00 2.22 C ATOM 1095 CE LYS A 75 21.323 -1.830 -4.075 1.00 2.49 C ATOM 1096 NZ LYS A 75 22.710 -1.561 -3.638 1.00 3.84 N ATOM 0 H LYS A 75 16.360 -5.235 -2.383 1.00 0.93 H new ATOM 0 HA LYS A 75 19.279 -4.894 -2.593 1.00 1.14 H new ATOM 0 HB2 LYS A 75 17.098 -2.835 -2.433 1.00 1.41 H new ATOM 0 HB3 LYS A 75 18.424 -2.617 -1.309 1.00 1.41 H new ATOM 0 HG2 LYS A 75 18.964 -3.118 -4.260 1.00 1.72 H new ATOM 0 HG3 LYS A 75 18.592 -1.507 -3.680 1.00 1.72 H new ATOM 0 HD2 LYS A 75 20.494 -1.589 -2.095 1.00 2.22 H new ATOM 0 HD3 LYS A 75 20.825 -3.255 -2.529 1.00 2.22 H new ATOM 0 HE2 LYS A 75 21.329 -2.585 -4.861 1.00 2.49 H new ATOM 0 HE3 LYS A 75 20.895 -0.925 -4.506 1.00 2.49 H new ATOM 0 HZ1 LYS A 75 23.274 -1.240 -4.451 1.00 3.84 H new ATOM 0 HZ2 LYS A 75 22.706 -0.823 -2.906 1.00 3.84 H new ATOM 0 HZ3 LYS A 75 23.127 -2.431 -3.250 1.00 3.84 H new ATOM 1110 N VAL A 76 17.651 -6.175 -0.361 1.00 0.92 N ATOM 1111 CA VAL A 76 17.541 -6.584 1.042 1.00 0.99 C ATOM 1112 C VAL A 76 17.298 -8.091 1.128 1.00 0.96 C ATOM 1113 O VAL A 76 16.772 -8.684 0.192 1.00 1.00 O ATOM 1114 CB VAL A 76 16.462 -5.729 1.753 1.00 1.12 C ATOM 1115 CG1 VAL A 76 15.104 -6.405 1.983 1.00 0.92 C ATOM 1116 CG2 VAL A 76 16.975 -5.276 3.116 1.00 1.32 C ATOM 0 H VAL A 76 17.170 -6.785 -1.022 1.00 0.92 H new ATOM 0 HA VAL A 76 18.475 -6.399 1.572 1.00 0.99 H new ATOM 0 HB VAL A 76 16.287 -4.906 1.061 1.00 1.12 H new ATOM 0 HG11 VAL A 76 14.432 -5.710 2.487 1.00 0.92 H new ATOM 0 HG12 VAL A 76 14.674 -6.694 1.024 1.00 0.92 H new ATOM 0 HG13 VAL A 76 15.239 -7.292 2.602 1.00 0.92 H new ATOM 0 HG21 VAL A 76 16.212 -4.675 3.611 1.00 1.32 H new ATOM 0 HG22 VAL A 76 17.203 -6.149 3.728 1.00 1.32 H new ATOM 0 HG23 VAL A 76 17.878 -4.679 2.985 1.00 1.32 H new ATOM 1126 N SER A 77 17.690 -8.744 2.227 1.00 0.92 N ATOM 1127 CA SER A 77 17.506 -10.179 2.348 1.00 0.91 C ATOM 1128 C SER A 77 16.081 -10.455 2.793 1.00 0.92 C ATOM 1129 O SER A 77 15.480 -9.641 3.490 1.00 0.94 O ATOM 1130 CB SER A 77 18.494 -10.732 3.372 1.00 0.94 C ATOM 1131 OG SER A 77 19.810 -10.510 2.917 1.00 1.62 O ATOM 0 H SER A 77 18.131 -8.301 3.033 1.00 0.92 H new ATOM 0 HA SER A 77 17.686 -10.663 1.388 1.00 0.91 H new ATOM 0 HB2 SER A 77 18.344 -10.248 4.337 1.00 0.94 H new ATOM 0 HB3 SER A 77 18.323 -11.798 3.520 1.00 0.94 H new ATOM 0 HG SER A 77 20.447 -10.862 3.573 1.00 1.62 H new ATOM 1137 N GLU A 78 15.555 -11.630 2.461 1.00 0.93 N ATOM 1138 CA GLU A 78 14.198 -12.018 2.818 1.00 0.97 C ATOM 1139 C GLU A 78 13.980 -12.021 4.326 1.00 0.92 C ATOM 1140 O GLU A 78 12.856 -11.885 4.781 1.00 0.90 O ATOM 1141 CB GLU A 78 13.883 -13.403 2.246 1.00 0.99 C ATOM 1142 CG GLU A 78 12.630 -13.280 1.376 1.00 1.32 C ATOM 1143 CD GLU A 78 12.233 -14.586 0.695 1.00 1.56 C ATOM 1144 OE1 GLU A 78 11.028 -14.693 0.373 1.00 2.47 O ATOM 1145 OE2 GLU A 78 13.130 -15.420 0.452 1.00 2.41 O ATOM 0 H GLU A 78 16.062 -12.342 1.934 1.00 0.93 H new ATOM 0 HA GLU A 78 13.523 -11.278 2.389 1.00 0.97 H new ATOM 0 HB2 GLU A 78 14.722 -13.772 1.656 1.00 0.99 H new ATOM 0 HB3 GLU A 78 13.720 -14.120 3.051 1.00 0.99 H new ATOM 0 HG2 GLU A 78 11.801 -12.934 1.993 1.00 1.32 H new ATOM 0 HG3 GLU A 78 12.799 -12.519 0.614 1.00 1.32 H new ATOM 1152 N VAL A 79 15.046 -12.170 5.107 1.00 0.91 N ATOM 1153 CA VAL A 79 14.955 -12.152 6.561 1.00 0.95 C ATOM 1154 C VAL A 79 14.524 -10.769 7.035 1.00 0.93 C ATOM 1155 O VAL A 79 13.740 -10.650 7.981 1.00 1.04 O ATOM 1156 CB VAL A 79 16.318 -12.552 7.145 1.00 1.03 C ATOM 1157 CG1 VAL A 79 16.377 -12.410 8.671 1.00 1.18 C ATOM 1158 CG2 VAL A 79 16.641 -14.006 6.781 1.00 1.06 C ATOM 0 H VAL A 79 15.992 -12.306 4.751 1.00 0.91 H new ATOM 0 HA VAL A 79 14.206 -12.865 6.906 1.00 0.95 H new ATOM 0 HB VAL A 79 17.050 -11.870 6.712 1.00 1.03 H new ATOM 0 HG11 VAL A 79 17.364 -12.707 9.026 1.00 1.18 H new ATOM 0 HG12 VAL A 79 16.189 -11.373 8.947 1.00 1.18 H new ATOM 0 HG13 VAL A 79 15.620 -13.050 9.125 1.00 1.18 H new ATOM 0 HG21 VAL A 79 17.609 -14.279 7.200 1.00 1.06 H new ATOM 0 HG22 VAL A 79 15.871 -14.662 7.187 1.00 1.06 H new ATOM 0 HG23 VAL A 79 16.672 -14.111 5.697 1.00 1.06 H new ATOM 1168 N GLU A 80 15.060 -9.732 6.392 1.00 0.82 N ATOM 1169 CA GLU A 80 14.726 -8.356 6.702 1.00 0.74 C ATOM 1170 C GLU A 80 13.394 -8.017 6.061 1.00 0.65 C ATOM 1171 O GLU A 80 12.598 -7.315 6.661 1.00 0.62 O ATOM 1172 CB GLU A 80 15.840 -7.438 6.180 1.00 0.75 C ATOM 1173 CG GLU A 80 15.726 -5.991 6.675 1.00 0.84 C ATOM 1174 CD GLU A 80 16.142 -5.861 8.142 1.00 1.46 C ATOM 1175 OE1 GLU A 80 17.136 -5.144 8.390 1.00 2.45 O ATOM 1176 OE2 GLU A 80 15.479 -6.502 8.987 1.00 2.39 O ATOM 0 H GLU A 80 15.741 -9.831 5.639 1.00 0.82 H new ATOM 0 HA GLU A 80 14.640 -8.215 7.779 1.00 0.74 H new ATOM 0 HB2 GLU A 80 16.805 -7.842 6.485 1.00 0.75 H new ATOM 0 HB3 GLU A 80 15.822 -7.443 5.090 1.00 0.75 H new ATOM 0 HG2 GLU A 80 16.353 -5.345 6.060 1.00 0.84 H new ATOM 0 HG3 GLU A 80 14.699 -5.645 6.556 1.00 0.84 H new ATOM 1183 N GLY A 81 13.115 -8.517 4.857 1.00 0.67 N ATOM 1184 CA GLY A 81 11.860 -8.222 4.190 1.00 0.64 C ATOM 1185 C GLY A 81 10.680 -8.930 4.827 1.00 0.67 C ATOM 1186 O GLY A 81 9.556 -8.475 4.682 1.00 0.64 O ATOM 0 H GLY A 81 13.742 -9.125 4.331 1.00 0.67 H new ATOM 0 HA2 GLY A 81 11.687 -7.146 4.209 1.00 0.64 H new ATOM 0 HA3 GLY A 81 11.932 -8.515 3.142 1.00 0.64 H new ATOM 1190 N ASP A 82 10.911 -10.031 5.531 1.00 0.79 N ATOM 1191 CA ASP A 82 9.899 -10.703 6.326 1.00 0.88 C ATOM 1192 C ASP A 82 9.474 -9.759 7.440 1.00 0.82 C ATOM 1193 O ASP A 82 8.306 -9.386 7.546 1.00 0.80 O ATOM 1194 CB ASP A 82 10.509 -12.016 6.843 1.00 1.06 C ATOM 1195 CG ASP A 82 9.832 -12.589 8.084 1.00 1.54 C ATOM 1196 OD1 ASP A 82 10.591 -12.917 9.027 1.00 3.23 O ATOM 1197 OD2 ASP A 82 8.591 -12.698 8.073 1.00 1.37 O ATOM 0 H ASP A 82 11.823 -10.487 5.564 1.00 0.79 H new ATOM 0 HA ASP A 82 9.006 -10.955 5.754 1.00 0.88 H new ATOM 0 HB2 ASP A 82 10.466 -12.759 6.047 1.00 1.06 H new ATOM 0 HB3 ASP A 82 11.563 -11.848 7.066 1.00 1.06 H new ATOM 1202 N LYS A 83 10.442 -9.287 8.230 1.00 0.81 N ATOM 1203 CA LYS A 83 10.104 -8.398 9.333 1.00 0.75 C ATOM 1204 C LYS A 83 9.516 -7.107 8.800 1.00 0.65 C ATOM 1205 O LYS A 83 8.518 -6.652 9.327 1.00 0.65 O ATOM 1206 CB LYS A 83 11.299 -8.077 10.240 1.00 0.81 C ATOM 1207 CG LYS A 83 11.377 -8.946 11.507 1.00 1.18 C ATOM 1208 CD LYS A 83 12.453 -10.030 11.430 1.00 1.12 C ATOM 1209 CE LYS A 83 11.959 -11.117 10.485 1.00 2.42 C ATOM 1210 NZ LYS A 83 12.903 -12.231 10.326 1.00 3.92 N ATOM 0 H LYS A 83 11.434 -9.499 8.129 1.00 0.81 H new ATOM 0 HA LYS A 83 9.372 -8.928 9.942 1.00 0.75 H new ATOM 0 HB2 LYS A 83 12.219 -8.203 9.669 1.00 0.81 H new ATOM 0 HB3 LYS A 83 11.247 -7.029 10.534 1.00 0.81 H new ATOM 0 HG2 LYS A 83 11.576 -8.306 12.367 1.00 1.18 H new ATOM 0 HG3 LYS A 83 10.408 -9.416 11.677 1.00 1.18 H new ATOM 0 HD2 LYS A 83 13.392 -9.610 11.070 1.00 1.12 H new ATOM 0 HD3 LYS A 83 12.648 -10.445 12.419 1.00 1.12 H new ATOM 0 HE2 LYS A 83 11.010 -11.506 10.856 1.00 2.42 H new ATOM 0 HE3 LYS A 83 11.763 -10.676 9.508 1.00 2.42 H new ATOM 0 HZ1 LYS A 83 12.408 -13.050 9.918 1.00 3.92 H new ATOM 0 HZ2 LYS A 83 13.676 -11.943 9.693 1.00 3.92 H new ATOM 0 HZ3 LYS A 83 13.294 -12.490 11.254 1.00 3.92 H new ATOM 1224 N GLN A 84 10.114 -6.507 7.777 1.00 0.59 N ATOM 1225 CA GLN A 84 9.664 -5.229 7.251 1.00 0.53 C ATOM 1226 C GLN A 84 8.277 -5.375 6.652 1.00 0.55 C ATOM 1227 O GLN A 84 7.466 -4.464 6.771 1.00 0.53 O ATOM 1228 CB GLN A 84 10.614 -4.715 6.170 1.00 0.51 C ATOM 1229 CG GLN A 84 11.642 -3.699 6.679 1.00 1.74 C ATOM 1230 CD GLN A 84 11.578 -2.444 5.815 1.00 2.39 C ATOM 1231 OE1 GLN A 84 10.858 -1.505 6.119 1.00 2.11 O ATOM 1232 NE2 GLN A 84 12.294 -2.413 4.699 1.00 4.18 N ATOM 0 H GLN A 84 10.923 -6.894 7.291 1.00 0.59 H new ATOM 0 HA GLN A 84 9.645 -4.517 8.076 1.00 0.53 H new ATOM 0 HB2 GLN A 84 11.141 -5.562 5.731 1.00 0.51 H new ATOM 0 HB3 GLN A 84 10.028 -4.256 5.373 1.00 0.51 H new ATOM 0 HG2 GLN A 84 11.439 -3.449 7.720 1.00 1.74 H new ATOM 0 HG3 GLN A 84 12.643 -4.128 6.644 1.00 1.74 H new ATOM 0 HE21 GLN A 84 12.892 -3.202 4.455 1.00 4.18 H new ATOM 0 HE22 GLN A 84 12.247 -1.600 4.085 1.00 4.18 H new ATOM 1241 N LEU A 85 7.990 -6.491 5.977 1.00 0.58 N ATOM 1242 CA LEU A 85 6.666 -6.637 5.391 1.00 0.59 C ATOM 1243 C LEU A 85 5.646 -6.714 6.520 1.00 0.59 C ATOM 1244 O LEU A 85 4.566 -6.134 6.420 1.00 0.59 O ATOM 1245 CB LEU A 85 6.624 -7.852 4.453 1.00 0.61 C ATOM 1246 CG LEU A 85 5.292 -8.036 3.708 1.00 0.65 C ATOM 1247 CD1 LEU A 85 4.871 -6.756 2.977 1.00 0.89 C ATOM 1248 CD2 LEU A 85 5.452 -9.151 2.671 1.00 0.85 C ATOM 0 H LEU A 85 8.629 -7.273 5.829 1.00 0.58 H new ATOM 0 HA LEU A 85 6.418 -5.775 4.771 1.00 0.59 H new ATOM 0 HB2 LEU A 85 7.426 -7.757 3.720 1.00 0.61 H new ATOM 0 HB3 LEU A 85 6.828 -8.751 5.034 1.00 0.61 H new ATOM 0 HG LEU A 85 4.527 -8.285 4.444 1.00 0.65 H new ATOM 0 HD11 LEU A 85 3.925 -6.925 2.462 1.00 0.89 H new ATOM 0 HD12 LEU A 85 4.752 -5.947 3.698 1.00 0.89 H new ATOM 0 HD13 LEU A 85 5.636 -6.484 2.250 1.00 0.89 H new ATOM 0 HD21 LEU A 85 4.512 -9.289 2.137 1.00 0.85 H new ATOM 0 HD22 LEU A 85 6.235 -8.880 1.963 1.00 0.85 H new ATOM 0 HD23 LEU A 85 5.723 -10.079 3.174 1.00 0.85 H new ATOM 1260 N ALA A 86 6.003 -7.379 7.619 1.00 0.61 N ATOM 1261 CA ALA A 86 5.117 -7.459 8.765 1.00 0.63 C ATOM 1262 C ALA A 86 5.087 -6.146 9.540 1.00 0.57 C ATOM 1263 O ALA A 86 4.079 -5.859 10.153 1.00 0.53 O ATOM 1264 CB ALA A 86 5.566 -8.603 9.674 1.00 0.68 C ATOM 0 H ALA A 86 6.893 -7.864 7.733 1.00 0.61 H new ATOM 0 HA ALA A 86 4.105 -7.651 8.407 1.00 0.63 H new ATOM 0 HB1 ALA A 86 4.902 -8.665 10.536 1.00 0.68 H new ATOM 0 HB2 ALA A 86 5.532 -9.542 9.121 1.00 0.68 H new ATOM 0 HB3 ALA A 86 6.585 -8.419 10.014 1.00 0.68 H new ATOM 1270 N GLU A 87 6.142 -5.336 9.524 1.00 0.56 N ATOM 1271 CA GLU A 87 6.208 -4.053 10.215 1.00 0.52 C ATOM 1272 C GLU A 87 5.297 -3.063 9.505 1.00 0.50 C ATOM 1273 O GLU A 87 4.589 -2.284 10.143 1.00 0.50 O ATOM 1274 CB GLU A 87 7.653 -3.539 10.199 1.00 0.46 C ATOM 1275 CG GLU A 87 8.499 -4.113 11.345 1.00 0.58 C ATOM 1276 CD GLU A 87 8.994 -3.019 12.300 1.00 1.19 C ATOM 1277 OE1 GLU A 87 10.205 -3.036 12.613 1.00 1.88 O ATOM 1278 OE2 GLU A 87 8.165 -2.169 12.698 1.00 2.41 O ATOM 0 H GLU A 87 6.998 -5.561 9.016 1.00 0.56 H new ATOM 0 HA GLU A 87 5.884 -4.169 11.249 1.00 0.52 H new ATOM 0 HB2 GLU A 87 8.116 -3.798 9.247 1.00 0.46 H new ATOM 0 HB3 GLU A 87 7.648 -2.451 10.266 1.00 0.46 H new ATOM 0 HG2 GLU A 87 7.908 -4.840 11.902 1.00 0.58 H new ATOM 0 HG3 GLU A 87 9.354 -4.647 10.931 1.00 0.58 H new ATOM 1285 N ALA A 88 5.283 -3.118 8.173 1.00 0.50 N ATOM 1286 CA ALA A 88 4.415 -2.280 7.374 1.00 0.51 C ATOM 1287 C ALA A 88 2.980 -2.674 7.693 1.00 0.52 C ATOM 1288 O ALA A 88 2.171 -1.845 8.099 1.00 0.55 O ATOM 1289 CB ALA A 88 4.738 -2.462 5.888 1.00 0.52 C ATOM 0 H ALA A 88 5.874 -3.745 7.627 1.00 0.50 H new ATOM 0 HA ALA A 88 4.561 -1.225 7.604 1.00 0.51 H new ATOM 0 HB1 ALA A 88 4.081 -1.828 5.293 1.00 0.52 H new ATOM 0 HB2 ALA A 88 5.776 -2.183 5.704 1.00 0.52 H new ATOM 0 HB3 ALA A 88 4.588 -3.505 5.608 1.00 0.52 H new ATOM 1295 N TYR A 89 2.672 -3.959 7.538 1.00 0.53 N ATOM 1296 CA TYR A 89 1.365 -4.522 7.796 1.00 0.58 C ATOM 1297 C TYR A 89 0.934 -4.370 9.243 1.00 0.56 C ATOM 1298 O TYR A 89 -0.256 -4.225 9.481 1.00 0.57 O ATOM 1299 CB TYR A 89 1.384 -5.982 7.332 1.00 0.62 C ATOM 1300 CG TYR A 89 1.295 -6.191 5.826 1.00 0.66 C ATOM 1301 CD1 TYR A 89 0.712 -5.229 4.969 1.00 1.56 C ATOM 1302 CD2 TYR A 89 1.817 -7.375 5.273 1.00 1.94 C ATOM 1303 CE1 TYR A 89 0.684 -5.432 3.581 1.00 1.55 C ATOM 1304 CE2 TYR A 89 1.764 -7.597 3.887 1.00 1.98 C ATOM 1305 CZ TYR A 89 1.202 -6.621 3.037 1.00 0.77 C ATOM 1306 OH TYR A 89 1.136 -6.826 1.696 1.00 0.83 O ATOM 0 H TYR A 89 3.350 -4.651 7.220 1.00 0.53 H new ATOM 0 HA TYR A 89 0.612 -3.970 7.233 1.00 0.58 H new ATOM 0 HB2 TYR A 89 2.301 -6.448 7.693 1.00 0.62 H new ATOM 0 HB3 TYR A 89 0.553 -6.506 7.804 1.00 0.62 H new ATOM 0 HD1 TYR A 89 0.284 -4.330 5.387 1.00 1.56 H new ATOM 0 HD2 TYR A 89 2.261 -8.118 5.919 1.00 1.94 H new ATOM 0 HE1 TYR A 89 0.266 -4.677 2.932 1.00 1.55 H new ATOM 0 HE2 TYR A 89 2.153 -8.515 3.472 1.00 1.98 H new ATOM 0 HH TYR A 89 0.723 -7.697 1.518 1.00 0.83 H new ATOM 1316 N GLU A 90 1.845 -4.343 10.209 1.00 0.55 N ATOM 1317 CA GLU A 90 1.489 -4.101 11.591 1.00 0.56 C ATOM 1318 C GLU A 90 1.154 -2.638 11.751 1.00 0.48 C ATOM 1319 O GLU A 90 0.163 -2.318 12.389 1.00 0.43 O ATOM 1320 CB GLU A 90 2.608 -4.490 12.566 1.00 0.63 C ATOM 1321 CG GLU A 90 2.519 -5.978 12.921 1.00 1.36 C ATOM 1322 CD GLU A 90 3.379 -6.337 14.136 1.00 1.94 C ATOM 1323 OE1 GLU A 90 4.379 -5.625 14.375 1.00 2.54 O ATOM 1324 OE2 GLU A 90 3.010 -7.315 14.823 1.00 2.78 O ATOM 0 H GLU A 90 2.842 -4.488 10.052 1.00 0.55 H new ATOM 0 HA GLU A 90 0.630 -4.726 11.834 1.00 0.56 H new ATOM 0 HB2 GLU A 90 3.579 -4.274 12.119 1.00 0.63 H new ATOM 0 HB3 GLU A 90 2.534 -3.889 13.472 1.00 0.63 H new ATOM 0 HG2 GLU A 90 1.480 -6.240 13.123 1.00 1.36 H new ATOM 0 HG3 GLU A 90 2.837 -6.573 12.065 1.00 1.36 H new ATOM 1331 N SER A 91 1.934 -1.738 11.162 1.00 0.48 N ATOM 1332 CA SER A 91 1.647 -0.323 11.265 1.00 0.45 C ATOM 1333 C SER A 91 0.306 -0.017 10.604 1.00 0.43 C ATOM 1334 O SER A 91 -0.438 0.821 11.100 1.00 0.42 O ATOM 1335 CB SER A 91 2.757 0.511 10.620 1.00 0.49 C ATOM 1336 OG SER A 91 4.000 0.339 11.268 1.00 0.96 O ATOM 0 H SER A 91 2.763 -1.967 10.613 1.00 0.48 H new ATOM 0 HA SER A 91 1.596 -0.058 12.321 1.00 0.45 H new ATOM 0 HB2 SER A 91 2.855 0.233 9.571 1.00 0.49 H new ATOM 0 HB3 SER A 91 2.479 1.565 10.646 1.00 0.49 H new ATOM 0 HG SER A 91 4.385 -0.526 11.014 1.00 0.96 H new ATOM 1342 N ILE A 92 -0.028 -0.687 9.500 1.00 0.47 N ATOM 1343 CA ILE A 92 -1.290 -0.470 8.823 1.00 0.50 C ATOM 1344 C ILE A 92 -2.402 -1.070 9.679 1.00 0.56 C ATOM 1345 O ILE A 92 -3.438 -0.446 9.868 1.00 0.57 O ATOM 1346 CB ILE A 92 -1.216 -1.050 7.393 1.00 0.59 C ATOM 1347 CG1 ILE A 92 -0.796 0.030 6.380 1.00 0.61 C ATOM 1348 CG2 ILE A 92 -2.542 -1.642 6.922 1.00 0.67 C ATOM 1349 CD1 ILE A 92 0.717 0.086 6.214 1.00 0.77 C ATOM 0 H ILE A 92 0.568 -1.388 9.060 1.00 0.47 H new ATOM 0 HA ILE A 92 -1.510 0.591 8.704 1.00 0.50 H new ATOM 0 HB ILE A 92 -0.473 -1.846 7.440 1.00 0.59 H new ATOM 0 HG12 ILE A 92 -1.261 -0.175 5.416 1.00 0.61 H new ATOM 0 HG13 ILE A 92 -1.162 1.002 6.711 1.00 0.61 H new ATOM 0 HG21 ILE A 92 -2.427 -2.033 5.911 1.00 0.67 H new ATOM 0 HG22 ILE A 92 -2.839 -2.449 7.592 1.00 0.67 H new ATOM 0 HG23 ILE A 92 -3.308 -0.867 6.926 1.00 0.67 H new ATOM 0 HD11 ILE A 92 0.975 0.860 5.491 1.00 0.77 H new ATOM 0 HD12 ILE A 92 1.180 0.316 7.173 1.00 0.77 H new ATOM 0 HD13 ILE A 92 1.080 -0.878 5.858 1.00 0.77 H new ATOM 1361 N ALA A 93 -2.193 -2.272 10.209 1.00 0.62 N ATOM 1362 CA ALA A 93 -3.192 -3.027 10.951 1.00 0.75 C ATOM 1363 C ALA A 93 -3.609 -2.245 12.187 1.00 0.65 C ATOM 1364 O ALA A 93 -4.783 -1.968 12.426 1.00 0.63 O ATOM 1365 CB ALA A 93 -2.592 -4.373 11.366 1.00 1.01 C ATOM 0 H ALA A 93 -1.300 -2.758 10.131 1.00 0.62 H new ATOM 0 HA ALA A 93 -4.069 -3.195 10.325 1.00 0.75 H new ATOM 0 HB1 ALA A 93 -3.334 -4.946 11.923 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -2.297 -4.929 10.476 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -1.718 -4.203 11.995 1.00 1.01 H new ATOM 1371 N LYS A 94 -2.622 -1.878 12.995 1.00 0.65 N ATOM 1372 CA LYS A 94 -2.834 -1.096 14.189 1.00 0.64 C ATOM 1373 C LYS A 94 -3.461 0.238 13.821 1.00 0.60 C ATOM 1374 O LYS A 94 -4.352 0.674 14.531 1.00 0.73 O ATOM 1375 CB LYS A 94 -1.538 -0.992 15.005 1.00 0.65 C ATOM 1376 CG LYS A 94 -0.377 -0.265 14.335 1.00 2.43 C ATOM 1377 CD LYS A 94 -0.063 1.072 15.006 1.00 3.57 C ATOM 1378 CE LYS A 94 1.284 1.568 14.476 1.00 5.32 C ATOM 1379 NZ LYS A 94 1.763 2.749 15.223 1.00 6.59 N ATOM 0 H LYS A 94 -1.645 -2.121 12.831 1.00 0.65 H new ATOM 0 HA LYS A 94 -3.545 -1.592 14.850 1.00 0.64 H new ATOM 0 HB2 LYS A 94 -1.764 -0.485 15.943 1.00 0.65 H new ATOM 0 HB3 LYS A 94 -1.211 -2.000 15.258 1.00 0.65 H new ATOM 0 HG2 LYS A 94 0.509 -0.899 14.362 1.00 2.43 H new ATOM 0 HG3 LYS A 94 -0.616 -0.095 13.285 1.00 2.43 H new ATOM 0 HD2 LYS A 94 -0.847 1.798 14.791 1.00 3.57 H new ATOM 0 HD3 LYS A 94 -0.025 0.954 16.089 1.00 3.57 H new ATOM 0 HE2 LYS A 94 2.021 0.768 14.549 1.00 5.32 H new ATOM 0 HE3 LYS A 94 1.189 1.819 13.420 1.00 5.32 H new ATOM 0 HZ1 LYS A 94 2.678 3.057 14.836 1.00 6.59 H new ATOM 0 HZ2 LYS A 94 1.072 3.521 15.133 1.00 6.59 H new ATOM 0 HZ3 LYS A 94 1.877 2.502 16.227 1.00 6.59 H new ATOM 1393 N ILE A 95 -3.085 0.860 12.698 1.00 0.47 N ATOM 1394 CA ILE A 95 -3.732 2.099 12.272 1.00 0.41 C ATOM 1395 C ILE A 95 -5.201 1.864 11.922 1.00 0.44 C ATOM 1396 O ILE A 95 -6.038 2.719 12.184 1.00 0.44 O ATOM 1397 CB ILE A 95 -2.928 2.743 11.124 1.00 0.38 C ATOM 1398 CG1 ILE A 95 -1.722 3.470 11.746 1.00 0.62 C ATOM 1399 CG2 ILE A 95 -3.760 3.724 10.287 1.00 0.73 C ATOM 1400 CD1 ILE A 95 -0.689 3.918 10.709 1.00 0.57 C ATOM 0 H ILE A 95 -2.346 0.529 12.077 1.00 0.47 H new ATOM 0 HA ILE A 95 -3.735 2.808 13.100 1.00 0.41 H new ATOM 0 HB ILE A 95 -2.610 1.956 10.440 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -2.076 4.341 12.297 1.00 0.62 H new ATOM 0 HG13 ILE A 95 -1.241 2.810 12.468 1.00 0.62 H new ATOM 0 HG21 ILE A 95 -3.139 4.144 9.495 1.00 0.73 H new ATOM 0 HG22 ILE A 95 -4.606 3.198 9.844 1.00 0.73 H new ATOM 0 HG23 ILE A 95 -4.126 4.528 10.926 1.00 0.73 H new ATOM 0 HD11 ILE A 95 0.135 4.424 11.212 1.00 0.57 H new ATOM 0 HD12 ILE A 95 -0.309 3.047 10.174 1.00 0.57 H new ATOM 0 HD13 ILE A 95 -1.157 4.602 10.001 1.00 0.57 H new ATOM 1412 N VAL A 96 -5.537 0.722 11.329 1.00 0.50 N ATOM 1413 CA VAL A 96 -6.891 0.393 10.915 1.00 0.56 C ATOM 1414 C VAL A 96 -7.767 0.238 12.151 1.00 0.60 C ATOM 1415 O VAL A 96 -8.922 0.652 12.150 1.00 0.62 O ATOM 1416 CB VAL A 96 -6.857 -0.867 10.022 1.00 0.62 C ATOM 1417 CG1 VAL A 96 -8.187 -1.626 9.943 1.00 0.76 C ATOM 1418 CG2 VAL A 96 -6.453 -0.475 8.596 1.00 0.62 C ATOM 0 H VAL A 96 -4.861 -0.012 11.120 1.00 0.50 H new ATOM 0 HA VAL A 96 -7.328 1.192 10.316 1.00 0.56 H new ATOM 0 HB VAL A 96 -6.133 -1.534 10.489 1.00 0.62 H new ATOM 0 HG11 VAL A 96 -8.072 -2.495 9.296 1.00 0.76 H new ATOM 0 HG12 VAL A 96 -8.479 -1.953 10.941 1.00 0.76 H new ATOM 0 HG13 VAL A 96 -8.957 -0.970 9.536 1.00 0.76 H new ATOM 0 HG21 VAL A 96 -6.429 -1.365 7.967 1.00 0.62 H new ATOM 0 HG22 VAL A 96 -7.177 0.234 8.195 1.00 0.62 H new ATOM 0 HG23 VAL A 96 -5.465 -0.015 8.611 1.00 0.62 H new ATOM 1428 N ASN A 97 -7.225 -0.339 13.219 1.00 0.65 N ATOM 1429 CA ASN A 97 -7.996 -0.544 14.435 1.00 0.75 C ATOM 1430 C ASN A 97 -8.082 0.765 15.201 1.00 0.72 C ATOM 1431 O ASN A 97 -9.124 1.085 15.763 1.00 0.78 O ATOM 1432 CB ASN A 97 -7.346 -1.611 15.324 1.00 0.86 C ATOM 1433 CG ASN A 97 -7.584 -3.021 14.806 1.00 0.88 C ATOM 1434 OD1 ASN A 97 -8.578 -3.649 15.143 1.00 1.67 O ATOM 1435 ND2 ASN A 97 -6.687 -3.548 13.985 1.00 1.67 N ATOM 0 H ASN A 97 -6.261 -0.670 13.265 1.00 0.65 H new ATOM 0 HA ASN A 97 -8.994 -0.885 14.159 1.00 0.75 H new ATOM 0 HB2 ASN A 97 -6.274 -1.425 15.385 1.00 0.86 H new ATOM 0 HB3 ASN A 97 -7.742 -1.527 16.336 1.00 0.86 H new ATOM 0 HD21 ASN A 97 -6.820 -4.492 13.623 1.00 1.67 H new ATOM 0 HD22 ASN A 97 -5.864 -3.009 13.715 1.00 1.67 H new ATOM 1442 N ASP A 98 -6.988 1.524 15.204 1.00 0.65 N ATOM 1443 CA ASP A 98 -6.857 2.794 15.907 1.00 0.65 C ATOM 1444 C ASP A 98 -7.897 3.770 15.373 1.00 0.64 C ATOM 1445 O ASP A 98 -8.564 4.473 16.126 1.00 0.73 O ATOM 1446 CB ASP A 98 -5.436 3.323 15.698 1.00 0.59 C ATOM 1447 CG ASP A 98 -5.217 4.690 16.332 1.00 1.69 C ATOM 1448 OD1 ASP A 98 -5.292 4.755 17.579 1.00 2.18 O ATOM 1449 OD2 ASP A 98 -4.924 5.629 15.558 1.00 3.17 O ATOM 0 H ASP A 98 -6.141 1.261 14.700 1.00 0.65 H new ATOM 0 HA ASP A 98 -7.029 2.667 16.976 1.00 0.65 H new ATOM 0 HB2 ASP A 98 -4.723 2.614 16.119 1.00 0.59 H new ATOM 0 HB3 ASP A 98 -5.230 3.386 14.630 1.00 0.59 H new ATOM 1454 N ASN A 99 -8.076 3.772 14.053 1.00 0.57 N ATOM 1455 CA ASN A 99 -9.063 4.610 13.403 1.00 0.60 C ATOM 1456 C ASN A 99 -10.426 3.921 13.277 1.00 0.67 C ATOM 1457 O ASN A 99 -11.383 4.536 12.816 1.00 0.69 O ATOM 1458 CB ASN A 99 -8.539 4.967 12.019 1.00 0.57 C ATOM 1459 CG ASN A 99 -7.981 6.378 11.975 1.00 0.78 C ATOM 1460 OD1 ASN A 99 -8.719 7.347 11.863 1.00 1.25 O ATOM 1461 ND2 ASN A 99 -6.666 6.518 12.058 1.00 2.50 N ATOM 0 H ASN A 99 -7.538 3.191 13.411 1.00 0.57 H new ATOM 0 HA ASN A 99 -9.216 5.501 14.012 1.00 0.60 H new ATOM 0 HB2 ASN A 99 -7.762 4.259 11.731 1.00 0.57 H new ATOM 0 HB3 ASN A 99 -9.343 4.871 11.290 1.00 0.57 H new ATOM 0 HD21 ASN A 99 -6.249 7.449 12.029 1.00 2.50 H new ATOM 0 HD22 ASN A 99 -6.070 5.695 12.151 1.00 2.50 H new ATOM 1468 N ASN A 100 -10.525 2.646 13.656 1.00 0.74 N ATOM 1469 CA ASN A 100 -11.733 1.835 13.555 1.00 0.78 C ATOM 1470 C ASN A 100 -12.308 1.850 12.137 1.00 0.71 C ATOM 1471 O ASN A 100 -13.520 1.965 11.931 1.00 0.71 O ATOM 1472 CB ASN A 100 -12.738 2.316 14.606 1.00 0.85 C ATOM 1473 CG ASN A 100 -13.780 1.262 14.956 1.00 0.99 C ATOM 1474 OD1 ASN A 100 -13.981 0.284 14.244 1.00 1.25 O ATOM 1475 ND2 ASN A 100 -14.483 1.442 16.064 1.00 1.95 N ATOM 0 H ASN A 100 -9.738 2.135 14.055 1.00 0.74 H new ATOM 0 HA ASN A 100 -11.492 0.792 13.758 1.00 0.78 H new ATOM 0 HB2 ASN A 100 -12.201 2.603 15.510 1.00 0.85 H new ATOM 0 HB3 ASN A 100 -13.242 3.209 14.237 1.00 0.85 H new ATOM 0 HD21 ASN A 100 -15.198 0.765 16.330 1.00 1.95 H new ATOM 0 HD22 ASN A 100 -14.310 2.258 16.651 1.00 1.95 H new ATOM 1482 N TYR A 101 -11.436 1.728 11.137 1.00 0.70 N ATOM 1483 CA TYR A 101 -11.855 1.670 9.749 1.00 0.71 C ATOM 1484 C TYR A 101 -12.477 0.331 9.412 1.00 0.92 C ATOM 1485 O TYR A 101 -12.120 -0.702 9.973 1.00 1.24 O ATOM 1486 CB TYR A 101 -10.664 1.843 8.828 1.00 0.81 C ATOM 1487 CG TYR A 101 -9.961 3.184 8.888 1.00 0.62 C ATOM 1488 CD1 TYR A 101 -10.689 4.372 9.092 1.00 2.09 C ATOM 1489 CD2 TYR A 101 -8.570 3.242 8.695 1.00 1.96 C ATOM 1490 CE1 TYR A 101 -10.036 5.615 9.038 1.00 2.25 C ATOM 1491 CE2 TYR A 101 -7.902 4.478 8.695 1.00 1.92 C ATOM 1492 CZ TYR A 101 -8.639 5.676 8.837 1.00 0.95 C ATOM 1493 OH TYR A 101 -8.011 6.884 8.808 1.00 1.31 O ATOM 0 H TYR A 101 -10.427 1.667 11.271 1.00 0.70 H new ATOM 0 HA TYR A 101 -12.582 2.470 9.611 1.00 0.71 H new ATOM 0 HB2 TYR A 101 -9.937 1.064 9.058 1.00 0.81 H new ATOM 0 HB3 TYR A 101 -10.996 1.676 7.803 1.00 0.81 H new ATOM 0 HD1 TYR A 101 -11.750 4.328 9.290 1.00 2.09 H new ATOM 0 HD2 TYR A 101 -8.011 2.330 8.546 1.00 1.96 H new ATOM 0 HE1 TYR A 101 -10.604 6.527 9.151 1.00 2.25 H new ATOM 0 HE2 TYR A 101 -6.828 4.513 8.587 1.00 1.92 H new ATOM 0 HH TYR A 101 -7.051 6.750 8.662 1.00 1.31 H new ATOM 1503 N LYS A 102 -13.424 0.366 8.473 1.00 0.97 N ATOM 1504 CA LYS A 102 -14.194 -0.790 8.045 1.00 1.27 C ATOM 1505 C LYS A 102 -14.061 -1.025 6.544 1.00 0.94 C ATOM 1506 O LYS A 102 -14.514 -2.047 6.051 1.00 1.15 O ATOM 1507 CB LYS A 102 -15.662 -0.637 8.480 1.00 1.79 C ATOM 1508 CG LYS A 102 -16.122 -1.684 9.512 1.00 2.87 C ATOM 1509 CD LYS A 102 -15.172 -1.890 10.701 1.00 4.24 C ATOM 1510 CE LYS A 102 -14.660 -0.566 11.274 1.00 3.60 C ATOM 1511 NZ LYS A 102 -15.620 0.091 12.173 1.00 4.14 N ATOM 0 H LYS A 102 -13.679 1.222 7.981 1.00 0.97 H new ATOM 0 HA LYS A 102 -13.790 -1.677 8.533 1.00 1.27 H new ATOM 0 HB2 LYS A 102 -15.804 0.359 8.900 1.00 1.79 H new ATOM 0 HB3 LYS A 102 -16.300 -0.705 7.599 1.00 1.79 H new ATOM 0 HG2 LYS A 102 -17.099 -1.389 9.895 1.00 2.87 H new ATOM 0 HG3 LYS A 102 -16.254 -2.639 9.003 1.00 2.87 H new ATOM 0 HD2 LYS A 102 -15.689 -2.446 11.483 1.00 4.24 H new ATOM 0 HD3 LYS A 102 -14.324 -2.498 10.385 1.00 4.24 H new ATOM 0 HE2 LYS A 102 -13.732 -0.748 11.816 1.00 3.60 H new ATOM 0 HE3 LYS A 102 -14.422 0.109 10.452 1.00 3.60 H new ATOM 0 HZ1 LYS A 102 -15.851 1.035 11.804 1.00 4.14 H new ATOM 0 HZ2 LYS A 102 -16.487 -0.480 12.232 1.00 4.14 H new ATOM 0 HZ3 LYS A 102 -15.201 0.183 13.121 1.00 4.14 H new ATOM 1525 N SER A 103 -13.410 -0.113 5.827 1.00 0.68 N ATOM 1526 CA SER A 103 -13.132 -0.257 4.409 1.00 0.53 C ATOM 1527 C SER A 103 -11.948 0.646 4.094 1.00 0.46 C ATOM 1528 O SER A 103 -11.976 1.804 4.510 1.00 0.58 O ATOM 1529 CB SER A 103 -14.372 0.188 3.627 1.00 0.86 C ATOM 1530 OG SER A 103 -14.825 1.439 4.113 1.00 1.57 O ATOM 0 H SER A 103 -13.058 0.758 6.224 1.00 0.68 H new ATOM 0 HA SER A 103 -12.899 -1.287 4.138 1.00 0.53 H new ATOM 0 HB2 SER A 103 -14.135 0.264 2.566 1.00 0.86 H new ATOM 0 HB3 SER A 103 -15.161 -0.557 3.725 1.00 0.86 H new ATOM 0 HG SER A 103 -14.059 1.968 4.420 1.00 1.57 H new ATOM 1536 N VAL A 104 -10.925 0.150 3.397 1.00 0.41 N ATOM 1537 CA VAL A 104 -9.754 0.940 3.038 1.00 0.52 C ATOM 1538 C VAL A 104 -9.277 0.481 1.672 1.00 0.47 C ATOM 1539 O VAL A 104 -9.241 -0.726 1.422 1.00 0.52 O ATOM 1540 CB VAL A 104 -8.642 0.740 4.084 1.00 0.68 C ATOM 1541 CG1 VAL A 104 -7.352 1.453 3.664 1.00 1.53 C ATOM 1542 CG2 VAL A 104 -9.069 1.256 5.464 1.00 1.40 C ATOM 0 H VAL A 104 -10.888 -0.814 3.066 1.00 0.41 H new ATOM 0 HA VAL A 104 -10.007 2.000 3.010 1.00 0.52 H new ATOM 0 HB VAL A 104 -8.459 -0.333 4.146 1.00 0.68 H new ATOM 0 HG11 VAL A 104 -6.585 1.294 4.422 1.00 1.53 H new ATOM 0 HG12 VAL A 104 -7.009 1.052 2.710 1.00 1.53 H new ATOM 0 HG13 VAL A 104 -7.544 2.521 3.560 1.00 1.53 H new ATOM 0 HG21 VAL A 104 -8.260 1.099 6.177 1.00 1.40 H new ATOM 0 HG22 VAL A 104 -9.295 2.320 5.400 1.00 1.40 H new ATOM 0 HG23 VAL A 104 -9.956 0.716 5.796 1.00 1.40 H new ATOM 1552 N ALA A 105 -8.879 1.417 0.803 1.00 0.45 N ATOM 1553 CA ALA A 105 -8.256 1.019 -0.442 1.00 0.45 C ATOM 1554 C ALA A 105 -6.745 0.879 -0.239 1.00 0.45 C ATOM 1555 O ALA A 105 -6.048 1.840 0.081 1.00 0.49 O ATOM 1556 CB ALA A 105 -8.642 1.977 -1.565 1.00 0.52 C ATOM 0 H ALA A 105 -8.977 2.423 0.941 1.00 0.45 H new ATOM 0 HA ALA A 105 -8.622 0.040 -0.751 1.00 0.45 H new ATOM 0 HB1 ALA A 105 -8.164 1.662 -2.493 1.00 0.52 H new ATOM 0 HB2 ALA A 105 -9.724 1.970 -1.694 1.00 0.52 H new ATOM 0 HB3 ALA A 105 -8.314 2.985 -1.312 1.00 0.52 H new ATOM 1562 N ILE A 106 -6.240 -0.341 -0.417 1.00 0.51 N ATOM 1563 CA ILE A 106 -4.855 -0.723 -0.217 1.00 0.57 C ATOM 1564 C ILE A 106 -4.356 -1.390 -1.509 1.00 0.62 C ATOM 1565 O ILE A 106 -4.820 -2.473 -1.863 1.00 0.88 O ATOM 1566 CB ILE A 106 -4.754 -1.606 1.049 1.00 0.78 C ATOM 1567 CG1 ILE A 106 -3.407 -2.324 1.190 1.00 1.82 C ATOM 1568 CG2 ILE A 106 -5.847 -2.680 1.148 1.00 1.22 C ATOM 1569 CD1 ILE A 106 -2.222 -1.375 1.358 1.00 3.08 C ATOM 0 H ILE A 106 -6.820 -1.124 -0.720 1.00 0.51 H new ATOM 0 HA ILE A 106 -4.204 0.132 -0.033 1.00 0.57 H new ATOM 0 HB ILE A 106 -4.877 -0.881 1.853 1.00 0.78 H new ATOM 0 HG12 ILE A 106 -3.450 -2.994 2.049 1.00 1.82 H new ATOM 0 HG13 ILE A 106 -3.242 -2.945 0.310 1.00 1.82 H new ATOM 0 HG21 ILE A 106 -5.708 -3.257 2.062 1.00 1.22 H new ATOM 0 HG22 ILE A 106 -6.826 -2.202 1.166 1.00 1.22 H new ATOM 0 HG23 ILE A 106 -5.783 -3.344 0.286 1.00 1.22 H new ATOM 0 HD11 ILE A 106 -1.303 -1.954 1.452 1.00 3.08 H new ATOM 0 HD12 ILE A 106 -2.153 -0.722 0.488 1.00 3.08 H new ATOM 0 HD13 ILE A 106 -2.364 -0.771 2.254 1.00 3.08 H new ATOM 1581 N PRO A 107 -3.451 -0.742 -2.260 1.00 0.59 N ATOM 1582 CA PRO A 107 -2.911 -1.301 -3.490 1.00 0.67 C ATOM 1583 C PRO A 107 -1.874 -2.392 -3.192 1.00 0.72 C ATOM 1584 O PRO A 107 -1.535 -2.658 -2.041 1.00 0.90 O ATOM 1585 CB PRO A 107 -2.309 -0.105 -4.233 1.00 0.79 C ATOM 1586 CG PRO A 107 -1.866 0.817 -3.099 1.00 0.88 C ATOM 1587 CD PRO A 107 -2.951 0.607 -2.045 1.00 0.77 C ATOM 0 HA PRO A 107 -3.671 -1.796 -4.094 1.00 0.67 H new ATOM 0 HB2 PRO A 107 -1.470 -0.402 -4.863 1.00 0.79 H new ATOM 0 HB3 PRO A 107 -3.040 0.376 -4.882 1.00 0.79 H new ATOM 0 HG2 PRO A 107 -0.879 0.548 -2.722 1.00 0.88 H new ATOM 0 HG3 PRO A 107 -1.812 1.857 -3.421 1.00 0.88 H new ATOM 0 HD2 PRO A 107 -2.547 0.719 -1.039 1.00 0.77 H new ATOM 0 HD3 PRO A 107 -3.749 1.342 -2.152 1.00 0.77 H new ATOM 1595 N LEU A 108 -1.365 -3.044 -4.241 1.00 0.80 N ATOM 1596 CA LEU A 108 -0.472 -4.189 -4.113 1.00 0.87 C ATOM 1597 C LEU A 108 0.976 -3.719 -4.147 1.00 0.80 C ATOM 1598 O LEU A 108 1.461 -3.266 -5.183 1.00 0.96 O ATOM 1599 CB LEU A 108 -0.730 -5.175 -5.256 1.00 1.09 C ATOM 1600 CG LEU A 108 -2.092 -5.864 -5.113 1.00 1.32 C ATOM 1601 CD1 LEU A 108 -2.452 -6.533 -6.437 1.00 1.86 C ATOM 1602 CD2 LEU A 108 -2.078 -6.920 -4.004 1.00 1.58 C ATOM 0 H LEU A 108 -1.565 -2.787 -5.208 1.00 0.80 H new ATOM 0 HA LEU A 108 -0.660 -4.689 -3.163 1.00 0.87 H new ATOM 0 HB2 LEU A 108 -0.687 -4.647 -6.209 1.00 1.09 H new ATOM 0 HB3 LEU A 108 0.059 -5.927 -5.273 1.00 1.09 H new ATOM 0 HG LEU A 108 -2.830 -5.107 -4.849 1.00 1.32 H new ATOM 0 HD11 LEU A 108 -3.420 -7.026 -6.344 1.00 1.86 H new ATOM 0 HD12 LEU A 108 -2.502 -5.780 -7.223 1.00 1.86 H new ATOM 0 HD13 LEU A 108 -1.691 -7.272 -6.690 1.00 1.86 H new ATOM 0 HD21 LEU A 108 -3.061 -7.386 -3.933 1.00 1.58 H new ATOM 0 HD22 LEU A 108 -1.332 -7.680 -4.235 1.00 1.58 H new ATOM 0 HD23 LEU A 108 -1.832 -6.446 -3.054 1.00 1.58 H new ATOM 1614 N LEU A 109 1.664 -3.848 -3.012 1.00 0.92 N ATOM 1615 CA LEU A 109 3.040 -3.399 -2.859 1.00 1.01 C ATOM 1616 C LEU A 109 4.031 -4.546 -3.089 1.00 0.92 C ATOM 1617 O LEU A 109 3.681 -5.728 -3.047 1.00 1.00 O ATOM 1618 CB LEU A 109 3.265 -2.772 -1.470 1.00 1.33 C ATOM 1619 CG LEU A 109 2.308 -1.606 -1.156 1.00 1.19 C ATOM 1620 CD1 LEU A 109 1.150 -2.064 -0.267 1.00 1.90 C ATOM 1621 CD2 LEU A 109 3.052 -0.492 -0.416 1.00 1.31 C ATOM 0 H LEU A 109 1.275 -4.271 -2.169 1.00 0.92 H new ATOM 0 HA LEU A 109 3.219 -2.637 -3.617 1.00 1.01 H new ATOM 0 HB2 LEU A 109 3.146 -3.543 -0.709 1.00 1.33 H new ATOM 0 HB3 LEU A 109 4.293 -2.415 -1.404 1.00 1.33 H new ATOM 0 HG LEU A 109 1.920 -1.243 -2.108 1.00 1.19 H new ATOM 0 HD11 LEU A 109 0.492 -1.219 -0.063 1.00 1.90 H new ATOM 0 HD12 LEU A 109 0.588 -2.847 -0.776 1.00 1.90 H new ATOM 0 HD13 LEU A 109 1.544 -2.452 0.672 1.00 1.90 H new ATOM 0 HD21 LEU A 109 2.363 0.325 -0.201 1.00 1.31 H new ATOM 0 HD22 LEU A 109 3.455 -0.882 0.518 1.00 1.31 H new ATOM 0 HD23 LEU A 109 3.868 -0.124 -1.038 1.00 1.31 H new ATOM 1633 N SER A 110 5.292 -4.160 -3.299 1.00 1.03 N ATOM 1634 CA SER A 110 6.426 -5.037 -3.571 1.00 1.17 C ATOM 1635 C SER A 110 6.299 -5.750 -4.915 1.00 1.31 C ATOM 1636 O SER A 110 6.705 -6.899 -5.070 1.00 1.64 O ATOM 1637 CB SER A 110 6.688 -5.967 -2.382 1.00 1.32 C ATOM 1638 OG SER A 110 6.914 -5.186 -1.221 1.00 2.10 O ATOM 0 H SER A 110 5.560 -3.176 -3.282 1.00 1.03 H new ATOM 0 HA SER A 110 7.320 -4.423 -3.678 1.00 1.17 H new ATOM 0 HB2 SER A 110 5.836 -6.630 -2.229 1.00 1.32 H new ATOM 0 HB3 SER A 110 7.552 -6.600 -2.583 1.00 1.32 H new ATOM 0 HG SER A 110 7.080 -5.777 -0.457 1.00 2.10 H new ATOM 1644 N THR A 111 5.820 -5.016 -5.917 1.00 1.36 N ATOM 1645 CA THR A 111 5.366 -5.537 -7.192 1.00 1.59 C ATOM 1646 C THR A 111 6.311 -5.117 -8.316 1.00 1.63 C ATOM 1647 O THR A 111 6.157 -4.053 -8.904 1.00 2.65 O ATOM 1648 CB THR A 111 3.933 -5.016 -7.396 1.00 2.01 C ATOM 1649 OG1 THR A 111 3.786 -3.722 -6.831 1.00 2.78 O ATOM 1650 CG2 THR A 111 2.979 -5.949 -6.663 1.00 1.98 C ATOM 0 H THR A 111 5.737 -4.001 -5.854 1.00 1.36 H new ATOM 0 HA THR A 111 5.366 -6.627 -7.204 1.00 1.59 H new ATOM 0 HB THR A 111 3.720 -4.974 -8.464 1.00 2.01 H new ATOM 0 HG1 THR A 111 2.965 -3.689 -6.297 1.00 2.78 H new ATOM 0 HG21 THR A 111 1.955 -5.599 -6.794 1.00 1.98 H new ATOM 0 HG22 THR A 111 3.072 -6.957 -7.068 1.00 1.98 H new ATOM 0 HG23 THR A 111 3.226 -5.961 -5.601 1.00 1.98 H new ATOM 1658 N GLY A 112 7.319 -5.946 -8.610 1.00 1.84 N ATOM 1659 CA GLY A 112 8.240 -5.707 -9.718 1.00 2.32 C ATOM 1660 C GLY A 112 8.975 -4.369 -9.621 1.00 1.60 C ATOM 1661 O GLY A 112 9.361 -3.803 -10.638 1.00 2.07 O ATOM 0 H GLY A 112 7.516 -6.798 -8.086 1.00 1.84 H new ATOM 0 HA2 GLY A 112 8.972 -6.514 -9.752 1.00 2.32 H new ATOM 0 HA3 GLY A 112 7.685 -5.741 -10.655 1.00 2.32 H new ATOM 1665 N ILE A 113 9.200 -3.879 -8.399 1.00 1.37 N ATOM 1666 CA ILE A 113 9.835 -2.588 -8.154 1.00 0.95 C ATOM 1667 C ILE A 113 10.747 -2.699 -6.934 1.00 0.91 C ATOM 1668 O ILE A 113 11.934 -2.397 -7.005 1.00 1.40 O ATOM 1669 CB ILE A 113 8.754 -1.485 -8.049 1.00 1.63 C ATOM 1670 CG1 ILE A 113 9.340 -0.084 -7.804 1.00 1.53 C ATOM 1671 CG2 ILE A 113 7.703 -1.743 -6.959 1.00 3.09 C ATOM 1672 CD1 ILE A 113 10.213 0.402 -8.963 1.00 2.35 C ATOM 0 H ILE A 113 8.943 -4.375 -7.546 1.00 1.37 H new ATOM 0 HA ILE A 113 10.474 -2.296 -8.987 1.00 0.95 H new ATOM 0 HB ILE A 113 8.272 -1.522 -9.026 1.00 1.63 H new ATOM 0 HG12 ILE A 113 8.526 0.623 -7.646 1.00 1.53 H new ATOM 0 HG13 ILE A 113 9.932 -0.097 -6.889 1.00 1.53 H new ATOM 0 HG21 ILE A 113 6.981 -0.926 -6.949 1.00 3.09 H new ATOM 0 HG22 ILE A 113 7.187 -2.681 -7.166 1.00 3.09 H new ATOM 0 HG23 ILE A 113 8.194 -1.806 -5.988 1.00 3.09 H new ATOM 0 HD11 ILE A 113 10.600 1.395 -8.736 1.00 2.35 H new ATOM 0 HD12 ILE A 113 11.045 -0.287 -9.106 1.00 2.35 H new ATOM 0 HD13 ILE A 113 9.617 0.445 -9.875 1.00 2.35 H new ATOM 1684 N PHE A 114 10.205 -3.178 -5.815 1.00 0.81 N ATOM 1685 CA PHE A 114 10.934 -3.315 -4.568 1.00 0.82 C ATOM 1686 C PHE A 114 11.530 -4.713 -4.477 1.00 0.80 C ATOM 1687 O PHE A 114 12.708 -4.873 -4.173 1.00 0.82 O ATOM 1688 CB PHE A 114 9.978 -3.018 -3.409 1.00 0.98 C ATOM 1689 CG PHE A 114 9.364 -1.628 -3.434 1.00 0.94 C ATOM 1690 CD1 PHE A 114 10.168 -0.497 -3.669 1.00 2.15 C ATOM 1691 CD2 PHE A 114 7.986 -1.461 -3.207 1.00 1.57 C ATOM 1692 CE1 PHE A 114 9.601 0.787 -3.681 1.00 2.21 C ATOM 1693 CE2 PHE A 114 7.412 -0.180 -3.245 1.00 1.66 C ATOM 1694 CZ PHE A 114 8.221 0.944 -3.476 1.00 1.20 C ATOM 0 H PHE A 114 9.234 -3.484 -5.755 1.00 0.81 H new ATOM 0 HA PHE A 114 11.761 -2.607 -4.520 1.00 0.82 H new ATOM 0 HB2 PHE A 114 9.175 -3.755 -3.420 1.00 0.98 H new ATOM 0 HB3 PHE A 114 10.516 -3.146 -2.470 1.00 0.98 H new ATOM 0 HD1 PHE A 114 11.227 -0.618 -3.841 1.00 2.15 H new ATOM 0 HD2 PHE A 114 7.367 -2.322 -3.003 1.00 1.57 H new ATOM 0 HE1 PHE A 114 10.225 1.653 -3.848 1.00 2.21 H new ATOM 0 HE2 PHE A 114 6.349 -0.059 -3.097 1.00 1.66 H new ATOM 0 HZ PHE A 114 7.781 1.930 -3.496 1.00 1.20 H new ATOM 1704 N SER A 115 10.719 -5.745 -4.712 1.00 0.83 N ATOM 1705 CA SER A 115 11.175 -7.113 -4.538 1.00 0.95 C ATOM 1706 C SER A 115 12.210 -7.522 -5.592 1.00 0.83 C ATOM 1707 O SER A 115 13.071 -8.345 -5.308 1.00 0.95 O ATOM 1708 CB SER A 115 9.980 -8.065 -4.530 1.00 1.20 C ATOM 1709 OG SER A 115 10.368 -9.338 -4.047 1.00 2.23 O ATOM 0 H SER A 115 9.751 -5.655 -5.021 1.00 0.83 H new ATOM 0 HA SER A 115 11.681 -7.175 -3.574 1.00 0.95 H new ATOM 0 HB2 SER A 115 9.186 -7.658 -3.904 1.00 1.20 H new ATOM 0 HB3 SER A 115 9.575 -8.159 -5.537 1.00 1.20 H new ATOM 0 HG SER A 115 10.661 -9.897 -4.797 1.00 2.23 H new ATOM 1715 N GLY A 116 12.144 -6.967 -6.804 1.00 0.82 N ATOM 1716 CA GLY A 116 13.028 -7.388 -7.884 1.00 0.91 C ATOM 1717 C GLY A 116 12.651 -8.779 -8.383 1.00 1.17 C ATOM 1718 O GLY A 116 13.510 -9.640 -8.542 1.00 2.55 O ATOM 0 H GLY A 116 11.489 -6.228 -7.058 1.00 0.82 H new ATOM 0 HA2 GLY A 116 12.971 -6.674 -8.706 1.00 0.91 H new ATOM 0 HA3 GLY A 116 14.061 -7.390 -7.535 1.00 0.91 H new ATOM 1722 N ASN A 117 11.360 -9.015 -8.634 1.00 1.71 N ATOM 1723 CA ASN A 117 10.895 -10.272 -9.202 1.00 1.98 C ATOM 1724 C ASN A 117 9.564 -10.048 -9.913 1.00 3.46 C ATOM 1725 O ASN A 117 8.981 -8.972 -9.779 1.00 5.25 O ATOM 1726 CB ASN A 117 10.763 -11.333 -8.100 1.00 3.74 C ATOM 1727 CG ASN A 117 11.633 -12.523 -8.457 1.00 3.93 C ATOM 1728 OD1 ASN A 117 11.367 -13.188 -9.452 1.00 3.60 O ATOM 1729 ND2 ASN A 117 12.684 -12.779 -7.689 1.00 5.29 N ATOM 0 H ASN A 117 10.617 -8.342 -8.449 1.00 1.71 H new ATOM 0 HA ASN A 117 11.620 -10.634 -9.930 1.00 1.98 H new ATOM 0 HB2 ASN A 117 11.067 -10.918 -7.139 1.00 3.74 H new ATOM 0 HB3 ASN A 117 9.723 -11.643 -7.998 1.00 3.74 H new ATOM 0 HD21 ASN A 117 13.306 -13.554 -7.918 1.00 5.29 H new ATOM 0 HD22 ASN A 117 12.870 -12.201 -6.869 1.00 5.29 H new ATOM 1736 N LYS A 118 9.094 -11.045 -10.675 1.00 3.76 N ATOM 1737 CA LYS A 118 7.806 -10.949 -11.362 1.00 5.53 C ATOM 1738 C LYS A 118 6.665 -11.123 -10.364 1.00 5.10 C ATOM 1739 O LYS A 118 6.022 -10.146 -9.989 1.00 5.48 O ATOM 1740 CB LYS A 118 7.684 -11.966 -12.515 1.00 7.56 C ATOM 1741 CG LYS A 118 7.855 -11.301 -13.885 1.00 9.11 C ATOM 1742 CD LYS A 118 7.328 -12.236 -14.979 1.00 10.86 C ATOM 1743 CE LYS A 118 7.297 -11.512 -16.328 1.00 12.49 C ATOM 1744 NZ LYS A 118 6.585 -12.306 -17.354 1.00 13.87 N ATOM 0 H LYS A 118 9.588 -11.924 -10.829 1.00 3.76 H new ATOM 0 HA LYS A 118 7.743 -9.956 -11.807 1.00 5.53 H new ATOM 0 HB2 LYS A 118 8.437 -12.745 -12.393 1.00 7.56 H new ATOM 0 HB3 LYS A 118 6.710 -12.454 -12.467 1.00 7.56 H new ATOM 0 HG2 LYS A 118 7.316 -10.354 -13.911 1.00 9.11 H new ATOM 0 HG3 LYS A 118 8.906 -11.074 -14.062 1.00 9.11 H new ATOM 0 HD2 LYS A 118 7.962 -13.120 -15.048 1.00 10.86 H new ATOM 0 HD3 LYS A 118 6.327 -12.581 -14.721 1.00 10.86 H new ATOM 0 HE2 LYS A 118 6.809 -10.545 -16.212 1.00 12.49 H new ATOM 0 HE3 LYS A 118 8.316 -11.316 -16.661 1.00 12.49 H new ATOM 0 HZ1 LYS A 118 6.583 -11.787 -18.255 1.00 13.87 H new ATOM 0 HZ2 LYS A 118 7.066 -13.219 -17.482 1.00 13.87 H new ATOM 0 HZ3 LYS A 118 5.605 -12.471 -17.047 1.00 13.87 H new ATOM 1758 N ASP A 119 6.365 -12.367 -9.981 1.00 4.93 N ATOM 1759 CA ASP A 119 5.349 -12.584 -8.964 1.00 4.56 C ATOM 1760 C ASP A 119 5.917 -12.111 -7.628 1.00 1.98 C ATOM 1761 O ASP A 119 7.123 -11.893 -7.499 1.00 1.50 O ATOM 1762 CB ASP A 119 4.868 -14.042 -8.913 1.00 6.34 C ATOM 1763 CG ASP A 119 3.625 -14.151 -8.023 1.00 6.92 C ATOM 1764 OD1 ASP A 119 2.523 -13.816 -8.505 1.00 7.80 O ATOM 1765 OD2 ASP A 119 3.790 -14.390 -6.807 1.00 6.71 O ATOM 0 H ASP A 119 6.800 -13.213 -10.350 1.00 4.93 H new ATOM 0 HA ASP A 119 4.457 -12.007 -9.210 1.00 4.56 H new ATOM 0 HB2 ASP A 119 4.638 -14.393 -9.919 1.00 6.34 H new ATOM 0 HB3 ASP A 119 5.661 -14.682 -8.525 1.00 6.34 H new ATOM 1770 N ARG A 120 5.027 -11.922 -6.660 1.00 1.24 N ATOM 1771 CA ARG A 120 5.208 -11.342 -5.342 1.00 1.75 C ATOM 1772 C ARG A 120 3.884 -10.869 -4.815 1.00 1.44 C ATOM 1773 O ARG A 120 3.643 -10.938 -3.620 1.00 1.30 O ATOM 1774 CB ARG A 120 6.250 -10.214 -5.300 1.00 4.21 C ATOM 1775 CG ARG A 120 7.583 -10.757 -4.786 1.00 5.28 C ATOM 1776 CD ARG A 120 7.622 -10.708 -3.254 1.00 7.48 C ATOM 1777 NE ARG A 120 8.805 -11.416 -2.751 1.00 8.67 N ATOM 1778 CZ ARG A 120 8.920 -12.012 -1.558 1.00 10.44 C ATOM 1779 NH1 ARG A 120 9.967 -12.793 -1.315 1.00 11.32 N ATOM 1780 NH2 ARG A 120 7.993 -11.829 -0.617 1.00 11.54 N ATOM 0 H ARG A 120 4.057 -12.204 -6.799 1.00 1.24 H new ATOM 0 HA ARG A 120 5.605 -12.129 -4.701 1.00 1.75 H new ATOM 0 HB2 ARG A 120 6.380 -9.790 -6.296 1.00 4.21 H new ATOM 0 HB3 ARG A 120 5.901 -9.409 -4.653 1.00 4.21 H new ATOM 0 HG2 ARG A 120 7.722 -11.783 -5.128 1.00 5.28 H new ATOM 0 HG3 ARG A 120 8.405 -10.171 -5.197 1.00 5.28 H new ATOM 0 HD2 ARG A 120 7.640 -9.672 -2.917 1.00 7.48 H new ATOM 0 HD3 ARG A 120 6.718 -11.161 -2.846 1.00 7.48 H new ATOM 0 HE ARG A 120 9.616 -11.458 -3.369 1.00 8.67 H new ATOM 0 HH11 ARG A 120 10.676 -12.935 -2.035 1.00 11.32 H new ATOM 0 HH12 ARG A 120 10.062 -13.251 -0.409 1.00 11.32 H new ATOM 0 HH21 ARG A 120 7.188 -11.231 -0.804 1.00 11.54 H new ATOM 0 HH22 ARG A 120 8.089 -12.287 0.289 1.00 11.54 H new ATOM 1794 N LEU A 121 3.012 -10.429 -5.708 1.00 1.42 N ATOM 1795 CA LEU A 121 1.746 -9.832 -5.321 1.00 1.19 C ATOM 1796 C LEU A 121 0.849 -10.867 -4.706 1.00 1.04 C ATOM 1797 O LEU A 121 0.185 -10.580 -3.731 1.00 0.90 O ATOM 1798 CB LEU A 121 1.032 -9.115 -6.468 1.00 1.31 C ATOM 1799 CG LEU A 121 0.530 -9.998 -7.626 1.00 1.36 C ATOM 1800 CD1 LEU A 121 -0.930 -10.436 -7.448 1.00 1.61 C ATOM 1801 CD2 LEU A 121 0.618 -9.209 -8.934 1.00 1.67 C ATOM 0 H LEU A 121 3.161 -10.476 -6.716 1.00 1.42 H new ATOM 0 HA LEU A 121 1.980 -9.064 -4.584 1.00 1.19 H new ATOM 0 HB2 LEU A 121 0.179 -8.577 -6.055 1.00 1.31 H new ATOM 0 HB3 LEU A 121 1.711 -8.368 -6.879 1.00 1.31 H new ATOM 0 HG LEU A 121 1.159 -10.888 -7.640 1.00 1.36 H new ATOM 0 HD11 LEU A 121 -1.230 -11.056 -8.293 1.00 1.61 H new ATOM 0 HD12 LEU A 121 -1.028 -11.008 -6.526 1.00 1.61 H new ATOM 0 HD13 LEU A 121 -1.571 -9.555 -7.399 1.00 1.61 H new ATOM 0 HD21 LEU A 121 0.264 -9.829 -9.758 1.00 1.67 H new ATOM 0 HD22 LEU A 121 -0.000 -8.314 -8.862 1.00 1.67 H new ATOM 0 HD23 LEU A 121 1.653 -8.921 -9.116 1.00 1.67 H new ATOM 1813 N THR A 122 0.849 -12.073 -5.244 1.00 1.12 N ATOM 1814 CA THR A 122 0.115 -13.200 -4.736 1.00 1.00 C ATOM 1815 C THR A 122 0.517 -13.508 -3.301 1.00 0.85 C ATOM 1816 O THR A 122 -0.295 -14.021 -2.532 1.00 0.79 O ATOM 1817 CB THR A 122 0.448 -14.332 -5.713 1.00 1.13 C ATOM 1818 OG1 THR A 122 0.085 -13.909 -7.011 1.00 1.46 O ATOM 1819 CG2 THR A 122 -0.259 -15.647 -5.389 1.00 1.10 C ATOM 0 H THR A 122 1.386 -12.295 -6.082 1.00 1.12 H new ATOM 0 HA THR A 122 -0.960 -13.029 -4.684 1.00 1.00 H new ATOM 0 HB THR A 122 1.516 -14.534 -5.634 1.00 1.13 H new ATOM 0 HG1 THR A 122 0.886 -13.856 -7.574 1.00 1.46 H new ATOM 0 HG21 THR A 122 0.024 -16.402 -6.122 1.00 1.10 H new ATOM 0 HG22 THR A 122 0.032 -15.981 -4.393 1.00 1.10 H new ATOM 0 HG23 THR A 122 -1.338 -15.497 -5.420 1.00 1.10 H new ATOM 1827 N GLN A 123 1.752 -13.179 -2.921 1.00 0.87 N ATOM 1828 CA GLN A 123 2.210 -13.391 -1.566 1.00 0.82 C ATOM 1829 C GLN A 123 1.847 -12.176 -0.720 1.00 0.77 C ATOM 1830 O GLN A 123 1.261 -12.339 0.345 1.00 0.71 O ATOM 1831 CB GLN A 123 3.705 -13.725 -1.541 1.00 0.96 C ATOM 1832 CG GLN A 123 3.967 -14.961 -2.418 1.00 1.04 C ATOM 1833 CD GLN A 123 5.350 -15.565 -2.188 1.00 1.16 C ATOM 1834 OE1 GLN A 123 5.848 -15.604 -1.072 1.00 2.14 O ATOM 1835 NE2 GLN A 123 5.991 -16.065 -3.235 1.00 2.37 N ATOM 0 H GLN A 123 2.447 -12.764 -3.541 1.00 0.87 H new ATOM 0 HA GLN A 123 1.709 -14.255 -1.130 1.00 0.82 H new ATOM 0 HB2 GLN A 123 4.284 -12.877 -1.906 1.00 0.96 H new ATOM 0 HB3 GLN A 123 4.029 -13.916 -0.518 1.00 0.96 H new ATOM 0 HG2 GLN A 123 3.207 -15.715 -2.212 1.00 1.04 H new ATOM 0 HG3 GLN A 123 3.866 -14.685 -3.468 1.00 1.04 H new ATOM 0 HE21 GLN A 123 5.564 -16.026 -4.161 1.00 2.37 H new ATOM 0 HE22 GLN A 123 6.911 -16.489 -3.115 1.00 2.37 H new ATOM 1844 N SER A 124 2.115 -10.953 -1.188 1.00 0.82 N ATOM 1845 CA SER A 124 1.850 -9.756 -0.410 1.00 0.80 C ATOM 1846 C SER A 124 0.378 -9.691 -0.058 1.00 0.71 C ATOM 1847 O SER A 124 0.021 -9.394 1.076 1.00 0.73 O ATOM 1848 CB SER A 124 2.259 -8.496 -1.187 1.00 0.85 C ATOM 1849 OG SER A 124 3.614 -8.522 -1.578 1.00 1.19 O ATOM 0 H SER A 124 2.517 -10.774 -2.108 1.00 0.82 H new ATOM 0 HA SER A 124 2.441 -9.800 0.505 1.00 0.80 H new ATOM 0 HB2 SER A 124 1.630 -8.398 -2.072 1.00 0.85 H new ATOM 0 HB3 SER A 124 2.079 -7.617 -0.569 1.00 0.85 H new ATOM 0 HG SER A 124 3.745 -9.215 -2.259 1.00 1.19 H new ATOM 1855 N LEU A 125 -0.464 -10.004 -1.032 1.00 0.68 N ATOM 1856 CA LEU A 125 -1.898 -10.106 -0.922 1.00 0.65 C ATOM 1857 C LEU A 125 -2.240 -11.108 0.151 1.00 0.62 C ATOM 1858 O LEU A 125 -2.990 -10.804 1.064 1.00 0.66 O ATOM 1859 CB LEU A 125 -2.422 -10.492 -2.319 1.00 0.77 C ATOM 1860 CG LEU A 125 -3.881 -10.927 -2.473 1.00 1.04 C ATOM 1861 CD1 LEU A 125 -4.089 -12.397 -2.095 1.00 0.85 C ATOM 1862 CD2 LEU A 125 -4.806 -10.004 -1.697 1.00 2.21 C ATOM 0 H LEU A 125 -0.135 -10.205 -1.977 1.00 0.68 H new ATOM 0 HA LEU A 125 -2.371 -9.171 -0.622 1.00 0.65 H new ATOM 0 HB2 LEU A 125 -2.263 -9.638 -2.977 1.00 0.77 H new ATOM 0 HB3 LEU A 125 -1.796 -11.303 -2.692 1.00 0.77 H new ATOM 0 HG LEU A 125 -4.138 -10.843 -3.529 1.00 1.04 H new ATOM 0 HD11 LEU A 125 -5.139 -12.660 -2.220 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -3.478 -13.028 -2.740 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -3.798 -12.550 -1.056 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -5.837 -10.334 -1.822 1.00 2.21 H new ATOM 0 HD22 LEU A 125 -4.542 -10.030 -0.640 1.00 2.21 H new ATOM 0 HD23 LEU A 125 -4.702 -8.986 -2.072 1.00 2.21 H new ATOM 1874 N ASN A 126 -1.655 -12.289 0.079 1.00 0.60 N ATOM 1875 CA ASN A 126 -1.944 -13.347 1.031 1.00 0.62 C ATOM 1876 C ASN A 126 -1.680 -12.850 2.447 1.00 0.63 C ATOM 1877 O ASN A 126 -2.477 -13.067 3.357 1.00 0.68 O ATOM 1878 CB ASN A 126 -1.103 -14.583 0.692 1.00 0.66 C ATOM 1879 CG ASN A 126 -1.981 -15.741 0.217 1.00 1.33 C ATOM 1880 OD1 ASN A 126 -2.685 -16.394 0.987 1.00 1.19 O ATOM 1881 ND2 ASN A 126 -1.979 -15.994 -1.083 1.00 2.92 N ATOM 0 H ASN A 126 -0.971 -12.542 -0.635 1.00 0.60 H new ATOM 0 HA ASN A 126 -2.995 -13.630 0.971 1.00 0.62 H new ATOM 0 HB2 ASN A 126 -0.379 -14.331 -0.083 1.00 0.66 H new ATOM 0 HB3 ASN A 126 -0.535 -14.891 1.570 1.00 0.66 H new ATOM 0 HD21 ASN A 126 -2.566 -16.739 -1.459 1.00 2.92 H new ATOM 0 HD22 ASN A 126 -1.390 -15.444 -1.709 1.00 2.92 H new ATOM 1888 N HIS A 127 -0.569 -12.144 2.629 1.00 0.62 N ATOM 1889 CA HIS A 127 -0.169 -11.671 3.943 1.00 0.67 C ATOM 1890 C HIS A 127 -1.025 -10.479 4.354 1.00 0.67 C ATOM 1891 O HIS A 127 -1.282 -10.289 5.538 1.00 0.72 O ATOM 1892 CB HIS A 127 1.316 -11.312 3.932 1.00 0.75 C ATOM 1893 CG HIS A 127 2.202 -12.488 3.610 1.00 0.82 C ATOM 1894 ND1 HIS A 127 2.229 -13.702 4.262 1.00 1.16 N ATOM 1895 CD2 HIS A 127 3.098 -12.551 2.581 1.00 0.73 C ATOM 1896 CE1 HIS A 127 3.128 -14.475 3.627 1.00 1.20 C ATOM 1897 NE2 HIS A 127 3.683 -13.818 2.597 1.00 0.89 N ATOM 0 H HIS A 127 0.071 -11.887 1.877 1.00 0.62 H new ATOM 0 HA HIS A 127 -0.323 -12.462 4.677 1.00 0.67 H new ATOM 0 HB2 HIS A 127 1.488 -10.523 3.200 1.00 0.75 H new ATOM 0 HB3 HIS A 127 1.595 -10.910 4.906 1.00 0.75 H new ATOM 0 HD2 HIS A 127 3.315 -11.760 1.879 1.00 0.73 H new ATOM 0 HE1 HIS A 127 3.371 -15.489 3.908 1.00 1.20 H new ATOM 0 HE2 HIS A 127 4.391 -14.173 1.954 1.00 0.89 H new ATOM 1905 N LEU A 128 -1.501 -9.695 3.388 1.00 0.66 N ATOM 1906 CA LEU A 128 -2.325 -8.523 3.642 1.00 0.70 C ATOM 1907 C LEU A 128 -3.677 -8.971 4.161 1.00 0.69 C ATOM 1908 O LEU A 128 -4.189 -8.404 5.115 1.00 0.73 O ATOM 1909 CB LEU A 128 -2.465 -7.692 2.356 1.00 0.74 C ATOM 1910 CG LEU A 128 -3.438 -6.504 2.452 1.00 0.85 C ATOM 1911 CD1 LEU A 128 -3.003 -5.488 3.509 1.00 1.99 C ATOM 1912 CD2 LEU A 128 -3.500 -5.834 1.079 1.00 1.21 C ATOM 0 H LEU A 128 -1.321 -9.861 2.398 1.00 0.66 H new ATOM 0 HA LEU A 128 -1.855 -7.891 4.396 1.00 0.70 H new ATOM 0 HB2 LEU A 128 -1.481 -7.315 2.076 1.00 0.74 H new ATOM 0 HB3 LEU A 128 -2.795 -8.349 1.551 1.00 0.74 H new ATOM 0 HG LEU A 128 -4.418 -6.874 2.753 1.00 0.85 H new ATOM 0 HD11 LEU A 128 -3.719 -4.667 3.541 1.00 1.99 H new ATOM 0 HD12 LEU A 128 -2.962 -5.973 4.484 1.00 1.99 H new ATOM 0 HD13 LEU A 128 -2.017 -5.099 3.256 1.00 1.99 H new ATOM 0 HD21 LEU A 128 -4.184 -4.986 1.118 1.00 1.21 H new ATOM 0 HD22 LEU A 128 -2.506 -5.485 0.799 1.00 1.21 H new ATOM 0 HD23 LEU A 128 -3.854 -6.552 0.339 1.00 1.21 H new ATOM 1924 N LEU A 129 -4.245 -10.012 3.557 1.00 0.69 N ATOM 1925 CA LEU A 129 -5.482 -10.610 4.025 1.00 0.76 C ATOM 1926 C LEU A 129 -5.252 -11.253 5.372 1.00 0.74 C ATOM 1927 O LEU A 129 -6.151 -11.233 6.193 1.00 0.78 O ATOM 1928 CB LEU A 129 -6.019 -11.668 3.049 1.00 0.84 C ATOM 1929 CG LEU A 129 -6.290 -11.143 1.636 1.00 1.78 C ATOM 1930 CD1 LEU A 129 -7.067 -12.180 0.823 1.00 2.76 C ATOM 1931 CD2 LEU A 129 -7.054 -9.826 1.657 1.00 2.55 C ATOM 0 H LEU A 129 -3.856 -10.462 2.728 1.00 0.69 H new ATOM 0 HA LEU A 129 -6.224 -9.815 4.099 1.00 0.76 H new ATOM 0 HB2 LEU A 129 -5.302 -12.487 2.988 1.00 0.84 H new ATOM 0 HB3 LEU A 129 -6.943 -12.083 3.453 1.00 0.84 H new ATOM 0 HG LEU A 129 -5.323 -10.962 1.166 1.00 1.78 H new ATOM 0 HD11 LEU A 129 -7.252 -11.793 -0.179 1.00 2.76 H new ATOM 0 HD12 LEU A 129 -6.485 -13.099 0.755 1.00 2.76 H new ATOM 0 HD13 LEU A 129 -8.018 -12.388 1.313 1.00 2.76 H new ATOM 0 HD21 LEU A 129 -7.225 -9.489 0.635 1.00 2.55 H new ATOM 0 HD22 LEU A 129 -8.012 -9.969 2.157 1.00 2.55 H new ATOM 0 HD23 LEU A 129 -6.472 -9.077 2.194 1.00 2.55 H new ATOM 1943 N THR A 130 -4.072 -11.815 5.623 1.00 0.72 N ATOM 1944 CA THR A 130 -3.843 -12.461 6.905 1.00 0.77 C ATOM 1945 C THR A 130 -3.849 -11.403 8.000 1.00 0.83 C ATOM 1946 O THR A 130 -4.477 -11.584 9.040 1.00 0.89 O ATOM 1947 CB THR A 130 -2.542 -13.272 6.871 1.00 0.82 C ATOM 1948 OG1 THR A 130 -2.660 -14.302 5.914 1.00 0.80 O ATOM 1949 CG2 THR A 130 -2.230 -13.937 8.212 1.00 0.96 C ATOM 0 H THR A 130 -3.284 -11.836 4.976 1.00 0.72 H new ATOM 0 HA THR A 130 -4.642 -13.171 7.120 1.00 0.77 H new ATOM 0 HB THR A 130 -1.742 -12.573 6.628 1.00 0.82 H new ATOM 0 HG1 THR A 130 -2.620 -13.918 5.013 1.00 0.80 H new ATOM 0 HG21 THR A 130 -1.299 -14.498 8.132 1.00 0.96 H new ATOM 0 HG22 THR A 130 -2.128 -13.173 8.982 1.00 0.96 H new ATOM 0 HG23 THR A 130 -3.040 -14.615 8.479 1.00 0.96 H new ATOM 1957 N ALA A 131 -3.176 -10.279 7.766 1.00 0.84 N ATOM 1958 CA ALA A 131 -3.129 -9.233 8.771 1.00 0.95 C ATOM 1959 C ALA A 131 -4.488 -8.558 8.900 1.00 0.93 C ATOM 1960 O ALA A 131 -4.913 -8.231 10.002 1.00 1.00 O ATOM 1961 CB ALA A 131 -2.027 -8.231 8.412 1.00 1.08 C ATOM 0 H ALA A 131 -2.667 -10.076 6.906 1.00 0.84 H new ATOM 0 HA ALA A 131 -2.892 -9.667 9.742 1.00 0.95 H new ATOM 0 HB1 ALA A 131 -1.990 -7.445 9.166 1.00 1.08 H new ATOM 0 HB2 ALA A 131 -1.066 -8.744 8.376 1.00 1.08 H new ATOM 0 HB3 ALA A 131 -2.239 -7.790 7.438 1.00 1.08 H new ATOM 1967 N LEU A 132 -5.185 -8.350 7.784 1.00 0.88 N ATOM 1968 CA LEU A 132 -6.475 -7.680 7.801 1.00 0.90 C ATOM 1969 C LEU A 132 -7.560 -8.613 8.315 1.00 0.90 C ATOM 1970 O LEU A 132 -8.608 -8.128 8.720 1.00 0.98 O ATOM 1971 CB LEU A 132 -6.858 -7.135 6.419 1.00 0.92 C ATOM 1972 CG LEU A 132 -6.067 -5.891 5.986 1.00 1.44 C ATOM 1973 CD1 LEU A 132 -6.573 -5.464 4.607 1.00 1.85 C ATOM 1974 CD2 LEU A 132 -6.257 -4.714 6.952 1.00 2.17 C ATOM 0 H LEU A 132 -4.873 -8.638 6.857 1.00 0.88 H new ATOM 0 HA LEU A 132 -6.385 -6.831 8.479 1.00 0.90 H new ATOM 0 HB2 LEU A 132 -6.710 -7.921 5.678 1.00 0.92 H new ATOM 0 HB3 LEU A 132 -7.921 -6.893 6.419 1.00 0.92 H new ATOM 0 HG LEU A 132 -5.008 -6.149 5.975 1.00 1.44 H new ATOM 0 HD11 LEU A 132 -6.026 -4.581 4.276 1.00 1.85 H new ATOM 0 HD12 LEU A 132 -6.417 -6.275 3.895 1.00 1.85 H new ATOM 0 HD13 LEU A 132 -7.636 -5.232 4.666 1.00 1.85 H new ATOM 0 HD21 LEU A 132 -5.678 -3.859 6.602 1.00 2.17 H new ATOM 0 HD22 LEU A 132 -7.312 -4.445 6.994 1.00 2.17 H new ATOM 0 HD23 LEU A 132 -5.916 -5.001 7.947 1.00 2.17 H new ATOM 1986 N ASP A 133 -7.336 -9.929 8.348 1.00 0.85 N ATOM 1987 CA ASP A 133 -8.311 -10.837 8.955 1.00 0.85 C ATOM 1988 C ASP A 133 -8.411 -10.592 10.460 1.00 0.86 C ATOM 1989 O ASP A 133 -9.384 -10.980 11.100 1.00 0.94 O ATOM 1990 CB ASP A 133 -7.991 -12.311 8.677 1.00 0.89 C ATOM 1991 CG ASP A 133 -9.243 -13.184 8.800 1.00 1.51 C ATOM 1992 OD1 ASP A 133 -9.080 -14.365 9.180 1.00 2.56 O ATOM 1993 OD2 ASP A 133 -10.338 -12.683 8.450 1.00 2.55 O ATOM 0 H ASP A 133 -6.505 -10.383 7.969 1.00 0.85 H new ATOM 0 HA ASP A 133 -9.274 -10.622 8.492 1.00 0.85 H new ATOM 0 HB2 ASP A 133 -7.571 -12.412 7.676 1.00 0.89 H new ATOM 0 HB3 ASP A 133 -7.232 -12.659 9.377 1.00 0.89 H new ATOM 1998 N THR A 134 -7.426 -9.899 11.040 1.00 0.86 N ATOM 1999 CA THR A 134 -7.499 -9.466 12.423 1.00 0.90 C ATOM 2000 C THR A 134 -8.637 -8.465 12.665 1.00 0.88 C ATOM 2001 O THR A 134 -8.904 -8.144 13.821 1.00 0.98 O ATOM 2002 CB THR A 134 -6.127 -8.971 12.892 1.00 1.04 C ATOM 2003 OG1 THR A 134 -5.962 -9.277 14.259 1.00 1.51 O ATOM 2004 CG2 THR A 134 -5.963 -7.471 12.734 1.00 1.32 C ATOM 0 H THR A 134 -6.566 -9.629 10.562 1.00 0.86 H new ATOM 0 HA THR A 134 -7.758 -10.324 13.043 1.00 0.90 H new ATOM 0 HB THR A 134 -5.382 -9.469 12.271 1.00 1.04 H new ATOM 0 HG1 THR A 134 -5.084 -8.963 14.561 1.00 1.51 H new ATOM 0 HG21 THR A 134 -4.973 -7.175 13.081 1.00 1.32 H new ATOM 0 HG22 THR A 134 -6.075 -7.201 11.684 1.00 1.32 H new ATOM 0 HG23 THR A 134 -6.723 -6.958 13.323 1.00 1.32 H new ATOM 2012 N THR A 135 -9.299 -7.964 11.615 1.00 0.84 N ATOM 2013 CA THR A 135 -10.439 -7.077 11.724 1.00 0.89 C ATOM 2014 C THR A 135 -11.586 -7.582 10.843 1.00 0.81 C ATOM 2015 O THR A 135 -11.429 -8.436 9.969 1.00 1.59 O ATOM 2016 CB THR A 135 -10.035 -5.636 11.364 1.00 1.16 C ATOM 2017 OG1 THR A 135 -9.889 -5.453 9.972 1.00 1.32 O ATOM 2018 CG2 THR A 135 -8.719 -5.217 12.019 1.00 1.43 C ATOM 0 H THR A 135 -9.043 -8.175 10.650 1.00 0.84 H new ATOM 0 HA THR A 135 -10.790 -7.070 12.756 1.00 0.89 H new ATOM 0 HB THR A 135 -10.850 -5.018 11.740 1.00 1.16 H new ATOM 0 HG1 THR A 135 -9.483 -6.253 9.578 1.00 1.32 H new ATOM 0 HG21 THR A 135 -8.480 -4.193 11.733 1.00 1.43 H new ATOM 0 HG22 THR A 135 -8.817 -5.277 13.103 1.00 1.43 H new ATOM 0 HG23 THR A 135 -7.921 -5.882 11.689 1.00 1.43 H new ATOM 2026 N ASP A 136 -12.775 -7.025 11.048 1.00 0.91 N ATOM 2027 CA ASP A 136 -13.910 -7.176 10.159 1.00 0.93 C ATOM 2028 C ASP A 136 -14.126 -5.856 9.436 1.00 1.14 C ATOM 2029 O ASP A 136 -15.187 -5.243 9.508 1.00 1.54 O ATOM 2030 CB ASP A 136 -15.142 -7.668 10.934 1.00 1.25 C ATOM 2031 CG ASP A 136 -15.637 -6.690 12.008 1.00 2.08 C ATOM 2032 OD1 ASP A 136 -14.784 -5.974 12.585 1.00 2.76 O ATOM 2033 OD2 ASP A 136 -16.856 -6.728 12.286 1.00 2.99 O ATOM 0 H ASP A 136 -12.976 -6.442 11.860 1.00 0.91 H new ATOM 0 HA ASP A 136 -13.721 -7.941 9.406 1.00 0.93 H new ATOM 0 HB2 ASP A 136 -15.951 -7.856 10.228 1.00 1.25 H new ATOM 0 HB3 ASP A 136 -14.904 -8.621 11.407 1.00 1.25 H new ATOM 2038 N ALA A 137 -13.091 -5.428 8.708 1.00 1.16 N ATOM 2039 CA ALA A 137 -13.179 -4.297 7.824 1.00 1.52 C ATOM 2040 C ALA A 137 -13.460 -4.844 6.427 1.00 1.34 C ATOM 2041 O ALA A 137 -14.416 -5.587 6.226 1.00 1.36 O ATOM 2042 CB ALA A 137 -11.873 -3.494 7.945 1.00 1.90 C ATOM 0 H ALA A 137 -12.171 -5.868 8.726 1.00 1.16 H new ATOM 0 HA ALA A 137 -13.985 -3.606 8.070 1.00 1.52 H new ATOM 0 HB1 ALA A 137 -11.915 -2.629 7.283 1.00 1.90 H new ATOM 0 HB2 ALA A 137 -11.747 -3.157 8.974 1.00 1.90 H new ATOM 0 HB3 ALA A 137 -11.030 -4.126 7.664 1.00 1.90 H new ATOM 2048 N ASP A 138 -12.605 -4.502 5.473 1.00 1.30 N ATOM 2049 CA ASP A 138 -12.730 -4.854 4.072 1.00 1.17 C ATOM 2050 C ASP A 138 -11.388 -4.534 3.426 1.00 1.18 C ATOM 2051 O ASP A 138 -10.577 -3.816 4.020 1.00 1.35 O ATOM 2052 CB ASP A 138 -13.854 -4.049 3.407 1.00 1.18 C ATOM 2053 CG ASP A 138 -14.515 -4.879 2.316 1.00 1.17 C ATOM 2054 OD1 ASP A 138 -15.134 -5.899 2.692 1.00 2.27 O ATOM 2055 OD2 ASP A 138 -14.383 -4.494 1.134 1.00 2.10 O ATOM 0 H ASP A 138 -11.771 -3.948 5.666 1.00 1.30 H new ATOM 0 HA ASP A 138 -12.983 -5.908 3.955 1.00 1.17 H new ATOM 0 HB2 ASP A 138 -14.594 -3.758 4.153 1.00 1.18 H new ATOM 0 HB3 ASP A 138 -13.451 -3.130 2.982 1.00 1.18 H new ATOM 2060 N VAL A 139 -11.137 -5.043 2.226 1.00 1.05 N ATOM 2061 CA VAL A 139 -9.908 -4.761 1.505 1.00 1.07 C ATOM 2062 C VAL A 139 -10.281 -4.375 0.078 1.00 0.96 C ATOM 2063 O VAL A 139 -10.842 -5.185 -0.660 1.00 1.00 O ATOM 2064 CB VAL A 139 -8.948 -5.959 1.632 1.00 1.12 C ATOM 2065 CG1 VAL A 139 -9.471 -7.259 1.032 1.00 1.27 C ATOM 2066 CG2 VAL A 139 -7.583 -5.670 1.011 1.00 1.57 C ATOM 0 H VAL A 139 -11.779 -5.660 1.729 1.00 1.05 H new ATOM 0 HA VAL A 139 -9.359 -3.918 1.924 1.00 1.07 H new ATOM 0 HB VAL A 139 -8.859 -6.098 2.709 1.00 1.12 H new ATOM 0 HG11 VAL A 139 -8.730 -8.046 1.168 1.00 1.27 H new ATOM 0 HG12 VAL A 139 -10.398 -7.543 1.531 1.00 1.27 H new ATOM 0 HG13 VAL A 139 -9.660 -7.118 -0.032 1.00 1.27 H new ATOM 0 HG21 VAL A 139 -6.940 -6.543 1.124 1.00 1.57 H new ATOM 0 HG22 VAL A 139 -7.706 -5.445 -0.048 1.00 1.57 H new ATOM 0 HG23 VAL A 139 -7.128 -4.816 1.513 1.00 1.57 H new ATOM 2076 N ALA A 140 -9.978 -3.132 -0.308 1.00 0.84 N ATOM 2077 CA ALA A 140 -10.318 -2.644 -1.633 1.00 0.73 C ATOM 2078 C ALA A 140 -9.019 -2.449 -2.403 1.00 0.78 C ATOM 2079 O ALA A 140 -8.210 -1.593 -2.071 1.00 1.01 O ATOM 2080 CB ALA A 140 -11.158 -1.365 -1.534 1.00 0.66 C ATOM 0 H ALA A 140 -9.499 -2.452 0.282 1.00 0.84 H new ATOM 0 HA ALA A 140 -10.936 -3.361 -2.173 1.00 0.73 H new ATOM 0 HB1 ALA A 140 -11.404 -1.013 -2.536 1.00 0.66 H new ATOM 0 HB2 ALA A 140 -12.077 -1.575 -0.987 1.00 0.66 H new ATOM 0 HB3 ALA A 140 -10.591 -0.597 -1.009 1.00 0.66 H new ATOM 2086 N ILE A 141 -8.777 -3.257 -3.424 1.00 0.71 N ATOM 2087 CA ILE A 141 -7.609 -3.097 -4.262 1.00 0.80 C ATOM 2088 C ILE A 141 -8.025 -2.159 -5.390 1.00 0.81 C ATOM 2089 O ILE A 141 -9.146 -2.244 -5.882 1.00 0.93 O ATOM 2090 CB ILE A 141 -7.146 -4.478 -4.754 1.00 1.00 C ATOM 2091 CG1 ILE A 141 -6.653 -5.342 -3.576 1.00 1.31 C ATOM 2092 CG2 ILE A 141 -5.996 -4.346 -5.755 1.00 1.68 C ATOM 2093 CD1 ILE A 141 -7.753 -6.244 -3.015 1.00 1.13 C ATOM 0 H ILE A 141 -9.382 -4.034 -3.690 1.00 0.71 H new ATOM 0 HA ILE A 141 -6.757 -2.666 -3.737 1.00 0.80 H new ATOM 0 HB ILE A 141 -8.004 -4.950 -5.233 1.00 1.00 H new ATOM 0 HG12 ILE A 141 -5.815 -5.957 -3.905 1.00 1.31 H new ATOM 0 HG13 ILE A 141 -6.280 -4.693 -2.784 1.00 1.31 H new ATOM 0 HG21 ILE A 141 -5.687 -5.337 -6.087 1.00 1.68 H new ATOM 0 HG22 ILE A 141 -6.326 -3.762 -6.614 1.00 1.68 H new ATOM 0 HG23 ILE A 141 -5.154 -3.845 -5.278 1.00 1.68 H new ATOM 0 HD11 ILE A 141 -7.355 -6.832 -2.188 1.00 1.13 H new ATOM 0 HD12 ILE A 141 -8.580 -5.630 -2.659 1.00 1.13 H new ATOM 0 HD13 ILE A 141 -8.109 -6.914 -3.798 1.00 1.13 H new ATOM 2105 N TYR A 142 -7.124 -1.275 -5.811 1.00 0.82 N ATOM 2106 CA TYR A 142 -7.330 -0.334 -6.898 1.00 0.91 C ATOM 2107 C TYR A 142 -6.171 -0.522 -7.861 1.00 0.94 C ATOM 2108 O TYR A 142 -5.020 -0.335 -7.469 1.00 1.04 O ATOM 2109 CB TYR A 142 -7.352 1.110 -6.375 1.00 1.00 C ATOM 2110 CG TYR A 142 -8.727 1.737 -6.304 1.00 1.85 C ATOM 2111 CD1 TYR A 142 -9.670 1.245 -5.385 1.00 2.68 C ATOM 2112 CD2 TYR A 142 -9.047 2.846 -7.113 1.00 3.03 C ATOM 2113 CE1 TYR A 142 -10.905 1.892 -5.230 1.00 4.18 C ATOM 2114 CE2 TYR A 142 -10.282 3.500 -6.962 1.00 4.46 C ATOM 2115 CZ TYR A 142 -11.203 3.044 -5.991 1.00 4.93 C ATOM 2116 OH TYR A 142 -12.349 3.742 -5.758 1.00 6.43 O ATOM 0 H TYR A 142 -6.200 -1.195 -5.387 1.00 0.82 H new ATOM 0 HA TYR A 142 -8.287 -0.515 -7.387 1.00 0.91 H new ATOM 0 HB2 TYR A 142 -6.908 1.128 -5.380 1.00 1.00 H new ATOM 0 HB3 TYR A 142 -6.721 1.724 -7.017 1.00 1.00 H new ATOM 0 HD1 TYR A 142 -9.443 0.368 -4.797 1.00 2.68 H new ATOM 0 HD2 TYR A 142 -8.341 3.195 -7.852 1.00 3.03 H new ATOM 0 HE1 TYR A 142 -11.630 1.508 -4.527 1.00 4.18 H new ATOM 0 HE2 TYR A 142 -10.526 4.347 -7.585 1.00 4.46 H new ATOM 0 HH TYR A 142 -12.497 3.815 -4.792 1.00 6.43 H new ATOM 2126 N CYS A 143 -6.448 -0.908 -9.104 1.00 0.96 N ATOM 2127 CA CYS A 143 -5.431 -0.948 -10.139 1.00 1.04 C ATOM 2128 C CYS A 143 -6.122 -0.933 -11.497 1.00 1.13 C ATOM 2129 O CYS A 143 -7.098 -1.647 -11.718 1.00 1.14 O ATOM 2130 CB CYS A 143 -4.526 -2.178 -9.973 1.00 1.12 C ATOM 2131 SG CYS A 143 -5.489 -3.682 -9.649 1.00 3.58 S ATOM 0 H CYS A 143 -7.375 -1.198 -9.415 1.00 0.96 H new ATOM 0 HA CYS A 143 -4.784 -0.074 -10.059 1.00 1.04 H new ATOM 0 HB2 CYS A 143 -3.930 -2.315 -10.875 1.00 1.12 H new ATOM 0 HB3 CYS A 143 -3.829 -2.009 -9.152 1.00 1.12 H new ATOM 0 HG CYS A 143 -6.610 -3.629 -10.304 1.00 3.58 H new ATOM 2137 N ARG A 144 -5.643 -0.094 -12.412 1.00 1.34 N ATOM 2138 CA ARG A 144 -6.140 -0.095 -13.776 1.00 1.53 C ATOM 2139 C ARG A 144 -5.358 -1.160 -14.537 1.00 1.58 C ATOM 2140 O ARG A 144 -4.140 -1.194 -14.402 1.00 1.62 O ATOM 2141 CB ARG A 144 -5.908 1.288 -14.397 1.00 1.77 C ATOM 2142 CG ARG A 144 -7.090 1.744 -15.261 1.00 3.60 C ATOM 2143 CD ARG A 144 -7.874 2.863 -14.559 1.00 4.63 C ATOM 2144 NE ARG A 144 -8.677 3.642 -15.514 1.00 5.51 N ATOM 2145 CZ ARG A 144 -8.171 4.533 -16.381 1.00 5.61 C ATOM 2146 NH1 ARG A 144 -8.974 5.167 -17.236 1.00 6.58 N ATOM 2147 NH2 ARG A 144 -6.861 4.782 -16.397 1.00 5.17 N ATOM 0 H ARG A 144 -4.912 0.593 -12.229 1.00 1.34 H new ATOM 0 HA ARG A 144 -7.208 -0.311 -13.814 1.00 1.53 H new ATOM 0 HB2 ARG A 144 -5.739 2.016 -13.604 1.00 1.77 H new ATOM 0 HB3 ARG A 144 -5.004 1.263 -15.006 1.00 1.77 H new ATOM 0 HG2 ARG A 144 -6.727 2.097 -16.226 1.00 3.60 H new ATOM 0 HG3 ARG A 144 -7.750 0.899 -15.459 1.00 3.60 H new ATOM 0 HD2 ARG A 144 -8.527 2.430 -13.801 1.00 4.63 H new ATOM 0 HD3 ARG A 144 -7.180 3.525 -14.041 1.00 4.63 H new ATOM 0 HE ARG A 144 -9.686 3.495 -15.518 1.00 5.51 H new ATOM 0 HH11 ARG A 144 -9.976 4.975 -17.232 1.00 6.58 H new ATOM 0 HH12 ARG A 144 -8.586 5.844 -17.894 1.00 6.58 H new ATOM 0 HH21 ARG A 144 -6.241 4.295 -15.750 1.00 5.17 H new ATOM 0 HH22 ARG A 144 -6.479 5.459 -17.057 1.00 5.17 H new ATOM 2161 N ASP A 145 -6.050 -1.986 -15.328 1.00 1.71 N ATOM 2162 CA ASP A 145 -5.474 -2.954 -16.272 1.00 1.85 C ATOM 2163 C ASP A 145 -6.559 -3.906 -16.771 1.00 1.80 C ATOM 2164 O ASP A 145 -6.446 -4.464 -17.858 1.00 2.00 O ATOM 2165 CB ASP A 145 -4.342 -3.819 -15.675 1.00 1.87 C ATOM 2166 CG ASP A 145 -3.034 -3.765 -16.474 1.00 2.28 C ATOM 2167 OD1 ASP A 145 -2.227 -4.707 -16.288 1.00 2.04 O ATOM 2168 OD2 ASP A 145 -2.866 -2.824 -17.279 1.00 3.65 O ATOM 0 H ASP A 145 -7.070 -2.000 -15.329 1.00 1.71 H new ATOM 0 HA ASP A 145 -5.051 -2.353 -17.077 1.00 1.85 H new ATOM 0 HB2 ASP A 145 -4.147 -3.491 -14.654 1.00 1.87 H new ATOM 0 HB3 ASP A 145 -4.680 -4.854 -15.618 1.00 1.87 H new ATOM 2173 N LYS A 146 -7.576 -4.169 -15.939 1.00 1.62 N ATOM 2174 CA LYS A 146 -8.650 -5.130 -16.170 1.00 1.52 C ATOM 2175 C LYS A 146 -8.177 -6.554 -15.926 1.00 1.38 C ATOM 2176 O LYS A 146 -8.804 -7.264 -15.146 1.00 1.24 O ATOM 2177 CB LYS A 146 -9.312 -4.947 -17.548 1.00 1.65 C ATOM 2178 CG LYS A 146 -10.652 -5.689 -17.630 1.00 1.71 C ATOM 2179 CD LYS A 146 -11.775 -4.955 -16.889 1.00 2.40 C ATOM 2180 CE LYS A 146 -12.610 -5.983 -16.122 1.00 3.34 C ATOM 2181 NZ LYS A 146 -13.848 -5.399 -15.562 1.00 4.21 N ATOM 0 H LYS A 146 -7.672 -3.690 -15.043 1.00 1.62 H new ATOM 0 HA LYS A 146 -9.433 -4.928 -15.439 1.00 1.52 H new ATOM 0 HB2 LYS A 146 -9.470 -3.886 -17.739 1.00 1.65 H new ATOM 0 HB3 LYS A 146 -8.643 -5.315 -18.326 1.00 1.65 H new ATOM 0 HG2 LYS A 146 -10.932 -5.813 -18.676 1.00 1.71 H new ATOM 0 HG3 LYS A 146 -10.537 -6.688 -17.210 1.00 1.71 H new ATOM 0 HD2 LYS A 146 -11.357 -4.220 -16.202 1.00 2.40 H new ATOM 0 HD3 LYS A 146 -12.401 -4.411 -17.596 1.00 2.40 H new ATOM 0 HE2 LYS A 146 -12.869 -6.806 -16.788 1.00 3.34 H new ATOM 0 HE3 LYS A 146 -12.011 -6.403 -15.314 1.00 3.34 H new ATOM 0 HZ1 LYS A 146 -14.495 -6.163 -15.279 1.00 4.21 H new ATOM 0 HZ2 LYS A 146 -13.613 -4.818 -14.732 1.00 4.21 H new ATOM 0 HZ3 LYS A 146 -14.308 -4.805 -16.281 1.00 4.21 H new ATOM 2195 N LYS A 147 -7.050 -6.977 -16.500 1.00 1.44 N ATOM 2196 CA LYS A 147 -6.469 -8.266 -16.139 1.00 1.33 C ATOM 2197 C LYS A 147 -6.258 -8.388 -14.638 1.00 1.26 C ATOM 2198 O LYS A 147 -6.381 -9.485 -14.104 1.00 1.17 O ATOM 2199 CB LYS A 147 -5.158 -8.518 -16.890 1.00 1.46 C ATOM 2200 CG LYS A 147 -5.465 -9.103 -18.272 1.00 1.70 C ATOM 2201 CD LYS A 147 -4.186 -9.404 -19.059 1.00 1.89 C ATOM 2202 CE LYS A 147 -4.565 -10.215 -20.303 1.00 2.75 C ATOM 2203 NZ LYS A 147 -3.425 -10.378 -21.232 1.00 3.04 N ATOM 0 H LYS A 147 -6.530 -6.454 -17.205 1.00 1.44 H new ATOM 0 HA LYS A 147 -7.184 -9.032 -16.438 1.00 1.33 H new ATOM 0 HB2 LYS A 147 -4.601 -7.587 -16.993 1.00 1.46 H new ATOM 0 HB3 LYS A 147 -4.529 -9.205 -16.324 1.00 1.46 H new ATOM 0 HG2 LYS A 147 -6.046 -10.018 -18.158 1.00 1.70 H new ATOM 0 HG3 LYS A 147 -6.082 -8.402 -18.835 1.00 1.70 H new ATOM 0 HD2 LYS A 147 -3.690 -8.477 -19.347 1.00 1.89 H new ATOM 0 HD3 LYS A 147 -3.483 -9.963 -18.441 1.00 1.89 H new ATOM 0 HE2 LYS A 147 -4.927 -11.197 -19.998 1.00 2.75 H new ATOM 0 HE3 LYS A 147 -5.386 -9.720 -20.821 1.00 2.75 H new ATOM 0 HZ1 LYS A 147 -3.727 -10.932 -22.058 1.00 3.04 H new ATOM 0 HZ2 LYS A 147 -3.095 -9.442 -21.544 1.00 3.04 H new ATOM 0 HZ3 LYS A 147 -2.650 -10.874 -20.747 1.00 3.04 H new ATOM 2217 N TRP A 148 -5.952 -7.297 -13.939 1.00 1.31 N ATOM 2218 CA TRP A 148 -5.734 -7.397 -12.503 1.00 1.28 C ATOM 2219 C TRP A 148 -7.069 -7.597 -11.802 1.00 1.21 C ATOM 2220 O TRP A 148 -7.145 -8.337 -10.831 1.00 1.16 O ATOM 2221 CB TRP A 148 -5.023 -6.161 -11.952 1.00 1.43 C ATOM 2222 CG TRP A 148 -3.605 -5.951 -12.389 1.00 1.88 C ATOM 2223 CD1 TRP A 148 -3.158 -6.068 -13.654 1.00 2.83 C ATOM 2224 CD2 TRP A 148 -2.442 -5.542 -11.601 1.00 2.53 C ATOM 2225 NE1 TRP A 148 -1.842 -5.678 -13.728 1.00 4.15 N ATOM 2226 CE2 TRP A 148 -1.332 -5.377 -12.484 1.00 4.03 C ATOM 2227 CE3 TRP A 148 -2.213 -5.278 -10.233 1.00 2.24 C ATOM 2228 CZ2 TRP A 148 -0.067 -4.968 -12.035 1.00 5.11 C ATOM 2229 CZ3 TRP A 148 -0.944 -4.879 -9.769 1.00 3.20 C ATOM 2230 CH2 TRP A 148 0.127 -4.724 -10.666 1.00 4.64 C ATOM 0 H TRP A 148 -5.852 -6.361 -14.331 1.00 1.31 H new ATOM 0 HA TRP A 148 -5.088 -8.254 -12.313 1.00 1.28 H new ATOM 0 HB2 TRP A 148 -5.601 -5.281 -12.236 1.00 1.43 H new ATOM 0 HB3 TRP A 148 -5.039 -6.216 -10.863 1.00 1.43 H new ATOM 0 HD1 TRP A 148 -3.748 -6.417 -14.489 1.00 2.83 H new ATOM 0 HE1 TRP A 148 -1.309 -5.619 -14.596 1.00 4.15 H new ATOM 0 HE3 TRP A 148 -3.026 -5.384 -9.529 1.00 2.24 H new ATOM 0 HZ2 TRP A 148 0.747 -4.842 -12.734 1.00 5.11 H new ATOM 0 HZ3 TRP A 148 -0.793 -4.691 -8.716 1.00 3.20 H new ATOM 0 HH2 TRP A 148 1.097 -4.418 -10.303 1.00 4.64 H new ATOM 2241 N GLU A 149 -8.138 -6.983 -12.308 1.00 1.24 N ATOM 2242 CA GLU A 149 -9.455 -7.205 -11.720 1.00 1.21 C ATOM 2243 C GLU A 149 -9.804 -8.681 -11.852 1.00 1.04 C ATOM 2244 O GLU A 149 -10.333 -9.292 -10.930 1.00 0.98 O ATOM 2245 CB GLU A 149 -10.556 -6.371 -12.387 1.00 1.40 C ATOM 2246 CG GLU A 149 -10.414 -4.862 -12.171 1.00 2.13 C ATOM 2247 CD GLU A 149 -11.675 -4.142 -12.652 1.00 2.64 C ATOM 2248 OE1 GLU A 149 -12.075 -4.415 -13.805 1.00 3.46 O ATOM 2249 OE2 GLU A 149 -12.235 -3.313 -11.902 1.00 3.27 O ATOM 0 H GLU A 149 -8.120 -6.344 -13.103 1.00 1.24 H new ATOM 0 HA GLU A 149 -9.405 -6.896 -10.676 1.00 1.21 H new ATOM 0 HB2 GLU A 149 -10.554 -6.576 -13.458 1.00 1.40 H new ATOM 0 HB3 GLU A 149 -11.524 -6.693 -12.003 1.00 1.40 H new ATOM 0 HG2 GLU A 149 -10.246 -4.652 -11.115 1.00 2.13 H new ATOM 0 HG3 GLU A 149 -9.544 -4.489 -12.712 1.00 2.13 H new ATOM 2256 N MET A 150 -9.502 -9.253 -13.017 1.00 1.07 N ATOM 2257 CA MET A 150 -9.844 -10.625 -13.333 1.00 1.08 C ATOM 2258 C MET A 150 -9.088 -11.552 -12.402 1.00 1.00 C ATOM 2259 O MET A 150 -9.698 -12.370 -11.730 1.00 0.96 O ATOM 2260 CB MET A 150 -9.553 -10.920 -14.812 1.00 1.21 C ATOM 2261 CG MET A 150 -10.792 -11.537 -15.469 1.00 1.38 C ATOM 2262 SD MET A 150 -10.886 -11.350 -17.269 1.00 1.89 S ATOM 2263 CE MET A 150 -11.100 -9.553 -17.366 1.00 3.39 C ATOM 0 H MET A 150 -9.010 -8.768 -13.768 1.00 1.07 H new ATOM 0 HA MET A 150 -10.911 -10.790 -13.182 1.00 1.08 H new ATOM 0 HB2 MET A 150 -9.275 -10.001 -15.328 1.00 1.21 H new ATOM 0 HB3 MET A 150 -8.707 -11.602 -14.897 1.00 1.21 H new ATOM 0 HG2 MET A 150 -10.820 -12.600 -15.228 1.00 1.38 H new ATOM 0 HG3 MET A 150 -11.680 -11.087 -15.026 1.00 1.38 H new ATOM 0 HE1 MET A 150 -11.557 -9.292 -18.321 1.00 3.39 H new ATOM 0 HE2 MET A 150 -11.744 -9.219 -16.552 1.00 3.39 H new ATOM 0 HE3 MET A 150 -10.128 -9.066 -17.283 1.00 3.39 H new ATOM 2273 N THR A 151 -7.769 -11.405 -12.321 1.00 1.06 N ATOM 2274 CA THR A 151 -6.941 -12.280 -11.522 1.00 1.11 C ATOM 2275 C THR A 151 -7.316 -12.192 -10.055 1.00 1.01 C ATOM 2276 O THR A 151 -7.468 -13.218 -9.395 1.00 1.01 O ATOM 2277 CB THR A 151 -5.471 -11.919 -11.737 1.00 1.28 C ATOM 2278 OG1 THR A 151 -5.155 -11.899 -13.114 1.00 1.31 O ATOM 2279 CG2 THR A 151 -4.569 -12.958 -11.096 1.00 1.46 C ATOM 0 H THR A 151 -7.252 -10.674 -12.810 1.00 1.06 H new ATOM 0 HA THR A 151 -7.103 -13.311 -11.836 1.00 1.11 H new ATOM 0 HB THR A 151 -5.315 -10.937 -11.291 1.00 1.28 H new ATOM 0 HG1 THR A 151 -5.474 -11.061 -13.511 1.00 1.31 H new ATOM 0 HG21 THR A 151 -3.526 -12.685 -11.259 1.00 1.46 H new ATOM 0 HG22 THR A 151 -4.769 -13.003 -10.026 1.00 1.46 H new ATOM 0 HG23 THR A 151 -4.763 -13.933 -11.543 1.00 1.46 H new ATOM 2287 N LEU A 152 -7.497 -10.982 -9.526 1.00 0.95 N ATOM 2288 CA LEU A 152 -7.888 -10.868 -8.134 1.00 0.85 C ATOM 2289 C LEU A 152 -9.271 -11.473 -7.936 1.00 0.75 C ATOM 2290 O LEU A 152 -9.529 -12.047 -6.887 1.00 0.72 O ATOM 2291 CB LEU A 152 -7.846 -9.422 -7.621 1.00 0.89 C ATOM 2292 CG LEU A 152 -6.442 -9.009 -7.149 1.00 1.03 C ATOM 2293 CD1 LEU A 152 -5.668 -8.267 -8.238 1.00 2.30 C ATOM 2294 CD2 LEU A 152 -6.565 -8.112 -5.916 1.00 2.30 C ATOM 0 H LEU A 152 -7.383 -10.100 -10.025 1.00 0.95 H new ATOM 0 HA LEU A 152 -7.159 -11.423 -7.544 1.00 0.85 H new ATOM 0 HB2 LEU A 152 -8.173 -8.748 -8.413 1.00 0.89 H new ATOM 0 HB3 LEU A 152 -8.551 -9.311 -6.797 1.00 0.89 H new ATOM 0 HG LEU A 152 -5.891 -9.918 -6.907 1.00 1.03 H new ATOM 0 HD11 LEU A 152 -4.682 -7.994 -7.862 1.00 2.30 H new ATOM 0 HD12 LEU A 152 -5.558 -8.912 -9.110 1.00 2.30 H new ATOM 0 HD13 LEU A 152 -6.211 -7.365 -8.520 1.00 2.30 H new ATOM 0 HD21 LEU A 152 -5.571 -7.818 -5.579 1.00 2.30 H new ATOM 0 HD22 LEU A 152 -7.140 -7.222 -6.170 1.00 2.30 H new ATOM 0 HD23 LEU A 152 -7.072 -8.656 -5.119 1.00 2.30 H new ATOM 2306 N LYS A 153 -10.162 -11.388 -8.926 1.00 0.77 N ATOM 2307 CA LYS A 153 -11.471 -12.018 -8.810 1.00 0.81 C ATOM 2308 C LYS A 153 -11.330 -13.531 -8.871 1.00 0.88 C ATOM 2309 O LYS A 153 -12.112 -14.235 -8.247 1.00 0.93 O ATOM 2310 CB LYS A 153 -12.415 -11.505 -9.907 1.00 0.98 C ATOM 2311 CG LYS A 153 -12.978 -10.131 -9.525 1.00 1.06 C ATOM 2312 CD LYS A 153 -14.171 -10.255 -8.566 1.00 2.10 C ATOM 2313 CE LYS A 153 -15.459 -9.874 -9.304 1.00 2.68 C ATOM 2314 NZ LYS A 153 -16.666 -10.131 -8.489 1.00 3.63 N ATOM 0 H LYS A 153 -10.001 -10.895 -9.804 1.00 0.77 H new ATOM 0 HA LYS A 153 -11.906 -11.754 -7.846 1.00 0.81 H new ATOM 0 HB2 LYS A 153 -11.879 -11.436 -10.854 1.00 0.98 H new ATOM 0 HB3 LYS A 153 -13.231 -12.212 -10.054 1.00 0.98 H new ATOM 0 HG2 LYS A 153 -12.195 -9.534 -9.057 1.00 1.06 H new ATOM 0 HG3 LYS A 153 -13.288 -9.601 -10.426 1.00 1.06 H new ATOM 0 HD2 LYS A 153 -14.243 -11.275 -8.188 1.00 2.10 H new ATOM 0 HD3 LYS A 153 -14.027 -9.605 -7.703 1.00 2.10 H new ATOM 0 HE2 LYS A 153 -15.423 -8.819 -9.574 1.00 2.68 H new ATOM 0 HE3 LYS A 153 -15.524 -10.439 -10.234 1.00 2.68 H new ATOM 0 HZ1 LYS A 153 -17.513 -9.859 -9.028 1.00 3.63 H new ATOM 0 HZ2 LYS A 153 -16.716 -11.143 -8.253 1.00 3.63 H new ATOM 0 HZ3 LYS A 153 -16.619 -9.573 -7.613 1.00 3.63 H new ATOM 2328 N GLU A 154 -10.350 -14.044 -9.606 1.00 0.94 N ATOM 2329 CA GLU A 154 -10.175 -15.470 -9.816 1.00 1.09 C ATOM 2330 C GLU A 154 -9.669 -16.095 -8.524 1.00 1.10 C ATOM 2331 O GLU A 154 -10.100 -17.172 -8.127 1.00 1.25 O ATOM 2332 CB GLU A 154 -9.195 -15.720 -10.972 1.00 1.21 C ATOM 2333 CG GLU A 154 -9.708 -16.859 -11.854 1.00 1.42 C ATOM 2334 CD GLU A 154 -8.740 -17.144 -13.000 1.00 2.52 C ATOM 2335 OE1 GLU A 154 -8.820 -16.417 -14.015 1.00 3.54 O ATOM 2336 OE2 GLU A 154 -7.931 -18.086 -12.839 1.00 3.21 O ATOM 0 H GLU A 154 -9.649 -13.472 -10.077 1.00 0.94 H new ATOM 0 HA GLU A 154 -11.127 -15.928 -10.086 1.00 1.09 H new ATOM 0 HB2 GLU A 154 -9.080 -14.813 -11.565 1.00 1.21 H new ATOM 0 HB3 GLU A 154 -8.210 -15.970 -10.577 1.00 1.21 H new ATOM 0 HG2 GLU A 154 -9.839 -17.758 -11.252 1.00 1.42 H new ATOM 0 HG3 GLU A 154 -10.687 -16.599 -12.257 1.00 1.42 H new ATOM 2343 N ALA A 155 -8.763 -15.395 -7.848 1.00 1.02 N ATOM 2344 CA ALA A 155 -8.204 -15.828 -6.583 1.00 1.07 C ATOM 2345 C ALA A 155 -9.216 -15.650 -5.465 1.00 0.94 C ATOM 2346 O ALA A 155 -9.350 -16.529 -4.622 1.00 1.03 O ATOM 2347 CB ALA A 155 -6.917 -15.051 -6.289 1.00 1.12 C ATOM 0 H ALA A 155 -8.395 -14.500 -8.172 1.00 1.02 H new ATOM 0 HA ALA A 155 -7.960 -16.889 -6.647 1.00 1.07 H new ATOM 0 HB1 ALA A 155 -6.502 -15.381 -5.337 1.00 1.12 H new ATOM 0 HB2 ALA A 155 -6.193 -15.233 -7.083 1.00 1.12 H new ATOM 0 HB3 ALA A 155 -7.139 -13.985 -6.238 1.00 1.12 H new ATOM 2353 N VAL A 156 -9.956 -14.543 -5.459 1.00 0.80 N ATOM 2354 CA VAL A 156 -11.022 -14.338 -4.496 1.00 0.75 C ATOM 2355 C VAL A 156 -12.105 -15.392 -4.724 1.00 0.89 C ATOM 2356 O VAL A 156 -12.758 -15.820 -3.779 1.00 0.98 O ATOM 2357 CB VAL A 156 -11.535 -12.892 -4.614 1.00 0.67 C ATOM 2358 CG1 VAL A 156 -12.888 -12.696 -3.937 1.00 0.72 C ATOM 2359 CG2 VAL A 156 -10.525 -11.936 -3.966 1.00 0.64 C ATOM 0 H VAL A 156 -9.831 -13.773 -6.117 1.00 0.80 H new ATOM 0 HA VAL A 156 -10.668 -14.463 -3.473 1.00 0.75 H new ATOM 0 HB VAL A 156 -11.653 -12.680 -5.677 1.00 0.67 H new ATOM 0 HG11 VAL A 156 -13.204 -11.659 -4.049 1.00 0.72 H new ATOM 0 HG12 VAL A 156 -13.625 -13.352 -4.400 1.00 0.72 H new ATOM 0 HG13 VAL A 156 -12.803 -12.936 -2.877 1.00 0.72 H new ATOM 0 HG21 VAL A 156 -10.888 -10.912 -4.050 1.00 0.64 H new ATOM 0 HG22 VAL A 156 -10.404 -12.193 -2.914 1.00 0.64 H new ATOM 0 HG23 VAL A 156 -9.564 -12.023 -4.474 1.00 0.64 H new ATOM 2369 N ALA A 157 -12.284 -15.849 -5.965 1.00 0.97 N ATOM 2370 CA ALA A 157 -13.307 -16.840 -6.260 1.00 1.14 C ATOM 2371 C ALA A 157 -12.842 -18.185 -5.727 1.00 1.25 C ATOM 2372 O ALA A 157 -13.572 -18.871 -5.024 1.00 1.34 O ATOM 2373 CB ALA A 157 -13.585 -16.904 -7.765 1.00 1.27 C ATOM 0 H ALA A 157 -11.737 -15.549 -6.772 1.00 0.97 H new ATOM 0 HA ALA A 157 -14.243 -16.562 -5.775 1.00 1.14 H new ATOM 0 HB1 ALA A 157 -14.353 -17.652 -7.962 1.00 1.27 H new ATOM 0 HB2 ALA A 157 -13.929 -15.930 -8.113 1.00 1.27 H new ATOM 0 HB3 ALA A 157 -12.671 -17.176 -8.293 1.00 1.27 H new ATOM 2379 N ARG A 158 -11.608 -18.565 -6.059 1.00 1.29 N ATOM 2380 CA ARG A 158 -11.048 -19.852 -5.684 1.00 1.48 C ATOM 2381 C ARG A 158 -10.731 -19.917 -4.191 1.00 1.49 C ATOM 2382 O ARG A 158 -10.516 -21.000 -3.659 1.00 1.65 O ATOM 2383 CB ARG A 158 -9.817 -20.140 -6.553 1.00 1.59 C ATOM 2384 CG ARG A 158 -9.500 -21.638 -6.581 1.00 1.93 C ATOM 2385 CD ARG A 158 -8.378 -21.935 -7.586 1.00 1.96 C ATOM 2386 NE ARG A 158 -8.721 -23.077 -8.451 1.00 2.21 N ATOM 2387 CZ ARG A 158 -9.496 -23.016 -9.543 1.00 3.23 C ATOM 2388 NH1 ARG A 158 -9.775 -24.129 -10.222 1.00 4.15 N ATOM 2389 NH2 ARG A 158 -9.995 -21.849 -9.954 1.00 4.31 N ATOM 0 H ARG A 158 -10.970 -17.981 -6.599 1.00 1.29 H new ATOM 0 HA ARG A 158 -11.789 -20.630 -5.865 1.00 1.48 H new ATOM 0 HB2 ARG A 158 -9.993 -19.783 -7.568 1.00 1.59 H new ATOM 0 HB3 ARG A 158 -8.959 -19.591 -6.166 1.00 1.59 H new ATOM 0 HG2 ARG A 158 -9.202 -21.971 -5.587 1.00 1.93 H new ATOM 0 HG3 ARG A 158 -10.395 -22.199 -6.850 1.00 1.93 H new ATOM 0 HD2 ARG A 158 -8.195 -21.053 -8.200 1.00 1.96 H new ATOM 0 HD3 ARG A 158 -7.453 -22.148 -7.049 1.00 1.96 H new ATOM 0 HE ARG A 158 -8.338 -23.988 -8.199 1.00 2.21 H new ATOM 0 HH11 ARG A 158 -9.399 -25.024 -9.910 1.00 4.15 H new ATOM 0 HH12 ARG A 158 -10.365 -24.085 -11.053 1.00 4.15 H new ATOM 0 HH21 ARG A 158 -9.788 -20.995 -9.436 1.00 4.31 H new ATOM 0 HH22 ARG A 158 -10.584 -21.811 -10.786 1.00 4.31 H new ATOM 2403 N ARG A 159 -10.664 -18.770 -3.513 1.00 1.34 N ATOM 2404 CA ARG A 159 -10.564 -18.740 -2.059 1.00 1.36 C ATOM 2405 C ARG A 159 -11.848 -19.238 -1.405 1.00 1.49 C ATOM 2406 O ARG A 159 -11.755 -19.809 -0.321 1.00 1.87 O ATOM 2407 CB ARG A 159 -10.212 -17.326 -1.574 1.00 1.24 C ATOM 2408 CG ARG A 159 -8.692 -17.133 -1.613 1.00 1.91 C ATOM 2409 CD ARG A 159 -8.045 -17.769 -0.372 1.00 2.34 C ATOM 2410 NE ARG A 159 -6.764 -18.422 -0.696 1.00 3.27 N ATOM 2411 CZ ARG A 159 -5.629 -18.385 0.019 1.00 3.78 C ATOM 2412 NH1 ARG A 159 -4.563 -19.071 -0.398 1.00 4.83 N ATOM 2413 NH2 ARG A 159 -5.536 -17.674 1.142 1.00 3.77 N ATOM 0 H ARG A 159 -10.677 -17.849 -3.952 1.00 1.34 H new ATOM 0 HA ARG A 159 -9.762 -19.415 -1.762 1.00 1.36 H new ATOM 0 HB2 ARG A 159 -10.699 -16.582 -2.205 1.00 1.24 H new ATOM 0 HB3 ARG A 159 -10.582 -17.176 -0.560 1.00 1.24 H new ATOM 0 HG2 ARG A 159 -8.284 -17.585 -2.517 1.00 1.91 H new ATOM 0 HG3 ARG A 159 -8.454 -16.070 -1.652 1.00 1.91 H new ATOM 0 HD2 ARG A 159 -7.881 -17.002 0.385 1.00 2.34 H new ATOM 0 HD3 ARG A 159 -8.728 -18.502 0.059 1.00 2.34 H new ATOM 0 HE ARG A 159 -6.737 -18.963 -1.561 1.00 3.27 H new ATOM 0 HH11 ARG A 159 -4.613 -19.620 -1.256 1.00 4.83 H new ATOM 0 HH12 ARG A 159 -3.698 -19.046 0.142 1.00 4.83 H new ATOM 0 HH21 ARG A 159 -6.339 -17.141 1.476 1.00 3.77 H new ATOM 0 HH22 ARG A 159 -4.662 -17.662 1.667 1.00 3.77 H new ATOM 2427 N GLU A 160 -12.994 -19.041 -2.063 1.00 1.41 N ATOM 2428 CA GLU A 160 -14.320 -19.297 -1.517 1.00 1.55 C ATOM 2429 C GLU A 160 -14.455 -18.682 -0.116 1.00 2.23 C ATOM 2430 O GLU A 160 -13.908 -17.568 0.065 1.00 3.64 O ATOM 2431 CB GLU A 160 -14.630 -20.802 -1.614 1.00 2.88 C ATOM 2432 CG GLU A 160 -14.655 -21.275 -3.078 1.00 4.01 C ATOM 2433 CD GLU A 160 -15.016 -22.760 -3.221 1.00 5.72 C ATOM 2434 OE1 GLU A 160 -16.207 -23.090 -3.023 1.00 6.03 O ATOM 2435 OE2 GLU A 160 -14.107 -23.549 -3.569 1.00 7.12 O ATOM 0 H GLU A 160 -13.020 -18.688 -3.020 1.00 1.41 H new ATOM 0 HA GLU A 160 -15.091 -18.799 -2.105 1.00 1.55 H new ATOM 0 HB2 GLU A 160 -13.880 -21.366 -1.060 1.00 2.88 H new ATOM 0 HB3 GLU A 160 -15.593 -21.008 -1.147 1.00 2.88 H new ATOM 0 HG2 GLU A 160 -15.375 -20.676 -3.636 1.00 4.01 H new ATOM 0 HG3 GLU A 160 -13.678 -21.099 -3.528 1.00 4.01 H new TER 2442 GLU A 160