USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=32 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 110 SER OG : rot 33:sc= 0.421 USER MOD Set 1.2: A 115 SER OG : rot -123:sc= 1.16 USER MOD Set 1.3: A 124 SER OG : rot -120:sc= -0.278 USER MOD Set 2.1: A 99 ASN : amide:sc= 0.409 K(o=1.1,f=-0.87) USER MOD Set 2.2: A 101 TYR OH : rot -139:sc= 0.687 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -174:sc= 0.257 (180deg=-0.298) USER MOD Set 3.2: A 72 ASN : amide:sc= -1.15! K(o=-0.89!,f=-3.3) USER MOD Single : A 1 ALA N :NH3+ -133:sc= -1.25 (180deg=-3.47) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0243 USER MOD Single : A 5 HIS : no HD1:sc= -0.0395 X(o=-0.039,f=-0.00038) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 21 ASN : amide:sc= -0.0157 K(o=-0.016,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.9) USER MOD Single : A 25 SER OG : rot -36:sc= 0.191 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0317 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 130:sc= -0.017 USER MOD Single : A 48 GLN : amide:sc=-0.000264 K(o=-0.00026,f=-3.6) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= -0.31 (180deg=-0.353) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0.805 (180deg=0.678) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.059) USER MOD Single : A 67 HIS : no HE2:sc= -3.43 K(o=-3.4,f=-4.5) USER MOD Single : A 74 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.1) 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+ -155:sc= -0.114 (180deg=-0.539) USER MOD Single : A 84 GLN : amide:sc= -2.45 K(o=-2.4,f=-6!) USER MOD Single : A 89 TYR OH : rot 80:sc= 1.2 USER MOD Single : A 91 SER OG : rot 80:sc= 0.653 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= 0.731 (180deg=-0.105) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 121:sc= 0.16 USER MOD Single : A 117 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.37) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.35) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 130 THR OG1 : rot 81:sc= 0.809 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -73:sc= 0.714 USER MOD Single : A 142 TYR OH : rot 45:sc= 0.949 USER MOD Single : A 143 CYS SG : rot 180:sc= 0 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 87:sc= 0.681 USER MOD Single : A 153 LYS NZ :NH3+ -177:sc= -0.0027 (180deg=-0.0162) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.666 -8.810 7.913 1.00 3.02 N ATOM 2 CA ALA A 1 -13.644 -8.770 6.859 1.00 2.76 C ATOM 3 C ALA A 1 -13.850 -9.972 5.941 1.00 1.82 C ATOM 4 O ALA A 1 -13.051 -10.900 5.979 1.00 2.39 O ATOM 5 CB ALA A 1 -12.231 -8.741 7.453 1.00 3.62 C ATOM 0 H1 ALA A 1 -15.097 -7.869 8.015 1.00 3.02 H new ATOM 0 H2 ALA A 1 -15.400 -9.501 7.659 1.00 3.02 H new ATOM 0 H3 ALA A 1 -14.226 -9.088 8.813 1.00 3.02 H new ATOM 0 HA ALA A 1 -13.749 -7.853 6.279 1.00 2.76 H new ATOM 0 HB1 ALA A 1 -11.498 -8.712 6.647 1.00 3.62 H new ATOM 0 HB2 ALA A 1 -12.118 -7.856 8.079 1.00 3.62 H new ATOM 0 HB3 ALA A 1 -12.071 -9.635 8.056 1.00 3.62 H new ATOM 11 N PRO A 2 -14.935 -10.029 5.154 1.00 2.50 N ATOM 12 CA PRO A 2 -15.270 -11.236 4.430 1.00 3.12 C ATOM 13 C PRO A 2 -14.322 -11.415 3.255 1.00 2.46 C ATOM 14 O PRO A 2 -13.933 -12.543 2.960 1.00 2.84 O ATOM 15 CB PRO A 2 -16.718 -11.055 3.973 1.00 4.98 C ATOM 16 CG PRO A 2 -16.826 -9.547 3.776 1.00 5.34 C ATOM 17 CD PRO A 2 -15.911 -8.993 4.868 1.00 4.25 C ATOM 0 HA PRO A 2 -15.171 -12.132 5.043 1.00 3.12 H new ATOM 0 HB2 PRO A 2 -16.922 -11.599 3.050 1.00 4.98 H new ATOM 0 HB3 PRO A 2 -17.426 -11.417 4.719 1.00 4.98 H new ATOM 0 HG2 PRO A 2 -16.497 -9.245 2.782 1.00 5.34 H new ATOM 0 HG3 PRO A 2 -17.852 -9.197 3.892 1.00 5.34 H new ATOM 0 HD2 PRO A 2 -15.420 -8.079 4.535 1.00 4.25 H new ATOM 0 HD3 PRO A 2 -16.482 -8.741 5.762 1.00 4.25 H new ATOM 25 N SER A 3 -13.966 -10.335 2.551 1.00 2.00 N ATOM 26 CA SER A 3 -13.169 -10.517 1.349 1.00 2.31 C ATOM 27 C SER A 3 -12.607 -9.170 0.923 1.00 1.54 C ATOM 28 O SER A 3 -12.522 -8.262 1.748 1.00 1.10 O ATOM 29 CB SER A 3 -14.010 -11.199 0.257 1.00 3.53 C ATOM 30 OG SER A 3 -15.123 -10.410 -0.097 1.00 3.23 O ATOM 0 H SER A 3 -14.207 -9.371 2.783 1.00 2.00 H new ATOM 0 HA SER A 3 -12.324 -11.178 1.539 1.00 2.31 H new ATOM 0 HB2 SER A 3 -13.392 -11.377 -0.623 1.00 3.53 H new ATOM 0 HB3 SER A 3 -14.349 -12.173 0.611 1.00 3.53 H new ATOM 0 HG SER A 3 -15.639 -10.866 -0.794 1.00 3.23 H new ATOM 36 N TYR A 4 -12.159 -9.066 -0.330 1.00 1.68 N ATOM 37 CA TYR A 4 -11.455 -7.918 -0.857 1.00 1.43 C ATOM 38 C TYR A 4 -12.175 -7.512 -2.132 1.00 1.31 C ATOM 39 O TYR A 4 -12.313 -8.317 -3.054 1.00 1.99 O ATOM 40 CB TYR A 4 -9.971 -8.231 -1.150 1.00 2.24 C ATOM 41 CG TYR A 4 -9.501 -9.655 -0.925 1.00 2.48 C ATOM 42 CD1 TYR A 4 -9.574 -10.223 0.359 1.00 2.77 C ATOM 43 CD2 TYR A 4 -8.992 -10.411 -1.996 1.00 3.69 C ATOM 44 CE1 TYR A 4 -9.274 -11.579 0.550 1.00 2.89 C ATOM 45 CE2 TYR A 4 -8.615 -11.749 -1.795 1.00 4.33 C ATOM 46 CZ TYR A 4 -8.806 -12.357 -0.537 1.00 3.48 C ATOM 47 OH TYR A 4 -8.544 -13.688 -0.392 1.00 4.11 O ATOM 0 H TYR A 4 -12.285 -9.807 -1.019 1.00 1.68 H new ATOM 0 HA TYR A 4 -11.455 -7.112 -0.123 1.00 1.43 H new ATOM 0 HB2 TYR A 4 -9.771 -7.970 -2.189 1.00 2.24 H new ATOM 0 HB3 TYR A 4 -9.360 -7.573 -0.533 1.00 2.24 H new ATOM 0 HD1 TYR A 4 -9.862 -9.612 1.202 1.00 2.77 H new ATOM 0 HD2 TYR A 4 -8.891 -9.963 -2.973 1.00 3.69 H new ATOM 0 HE1 TYR A 4 -9.399 -12.029 1.524 1.00 2.89 H new ATOM 0 HE2 TYR A 4 -8.178 -12.313 -2.606 1.00 4.33 H new ATOM 0 HH TYR A 4 -8.233 -14.055 -1.246 1.00 4.11 H new ATOM 57 N HIS A 5 -12.593 -6.254 -2.216 1.00 0.80 N ATOM 58 CA HIS A 5 -13.332 -5.753 -3.349 1.00 0.70 C ATOM 59 C HIS A 5 -12.360 -4.955 -4.199 1.00 0.79 C ATOM 60 O HIS A 5 -11.948 -3.848 -3.862 1.00 1.37 O ATOM 61 CB HIS A 5 -14.498 -4.893 -2.864 1.00 0.71 C ATOM 62 CG HIS A 5 -15.618 -4.808 -3.866 1.00 0.82 C ATOM 63 ND1 HIS A 5 -16.934 -5.112 -3.608 1.00 1.22 N ATOM 64 CD2 HIS A 5 -15.516 -4.473 -5.191 1.00 0.75 C ATOM 65 CE1 HIS A 5 -17.613 -4.969 -4.761 1.00 1.33 C ATOM 66 NE2 HIS A 5 -16.788 -4.595 -5.755 1.00 1.02 N ATOM 0 H HIS A 5 -12.423 -5.556 -1.492 1.00 0.80 H new ATOM 0 HA HIS A 5 -13.757 -6.563 -3.942 1.00 0.70 H new ATOM 0 HB2 HIS A 5 -14.883 -5.304 -1.930 1.00 0.71 H new ATOM 0 HB3 HIS A 5 -14.136 -3.889 -2.645 1.00 0.71 H new ATOM 0 HD2 HIS A 5 -14.616 -4.170 -5.705 1.00 0.75 H new ATOM 0 HE1 HIS A 5 -18.675 -5.132 -4.873 1.00 1.33 H new ATOM 0 HE2 HIS A 5 -17.041 -4.432 -6.730 1.00 1.02 H new ATOM 74 N VAL A 6 -11.963 -5.550 -5.315 1.00 0.59 N ATOM 75 CA VAL A 6 -11.052 -4.908 -6.238 1.00 0.56 C ATOM 76 C VAL A 6 -11.838 -3.986 -7.163 1.00 0.50 C ATOM 77 O VAL A 6 -12.932 -4.338 -7.609 1.00 0.55 O ATOM 78 CB VAL A 6 -10.253 -5.961 -7.015 1.00 0.72 C ATOM 79 CG1 VAL A 6 -11.127 -6.904 -7.858 1.00 1.73 C ATOM 80 CG2 VAL A 6 -9.233 -5.248 -7.900 1.00 2.35 C ATOM 0 H VAL A 6 -12.263 -6.482 -5.600 1.00 0.59 H new ATOM 0 HA VAL A 6 -10.332 -4.301 -5.689 1.00 0.56 H new ATOM 0 HB VAL A 6 -9.756 -6.598 -6.283 1.00 0.72 H new ATOM 0 HG11 VAL A 6 -10.492 -7.621 -8.378 1.00 1.73 H new ATOM 0 HG12 VAL A 6 -11.819 -7.438 -7.207 1.00 1.73 H new ATOM 0 HG13 VAL A 6 -11.691 -6.323 -8.587 1.00 1.73 H new ATOM 0 HG21 VAL A 6 -8.657 -5.986 -8.459 1.00 2.35 H new ATOM 0 HG22 VAL A 6 -9.753 -4.590 -8.596 1.00 2.35 H new ATOM 0 HG23 VAL A 6 -8.560 -4.659 -7.277 1.00 2.35 H new ATOM 90 N VAL A 7 -11.267 -2.823 -7.469 1.00 0.49 N ATOM 91 CA VAL A 7 -11.858 -1.840 -8.357 1.00 0.54 C ATOM 92 C VAL A 7 -10.742 -1.350 -9.277 1.00 0.52 C ATOM 93 O VAL A 7 -9.578 -1.291 -8.877 1.00 0.61 O ATOM 94 CB VAL A 7 -12.487 -0.713 -7.519 1.00 0.69 C ATOM 95 CG1 VAL A 7 -13.173 0.334 -8.402 1.00 1.75 C ATOM 96 CG2 VAL A 7 -13.535 -1.271 -6.544 1.00 1.62 C ATOM 0 H VAL A 7 -10.362 -2.537 -7.096 1.00 0.49 H new ATOM 0 HA VAL A 7 -12.661 -2.253 -8.967 1.00 0.54 H new ATOM 0 HB VAL A 7 -11.670 -0.246 -6.968 1.00 0.69 H new ATOM 0 HG11 VAL A 7 -13.605 1.113 -7.774 1.00 1.75 H new ATOM 0 HG12 VAL A 7 -12.441 0.777 -9.077 1.00 1.75 H new ATOM 0 HG13 VAL A 7 -13.962 -0.142 -8.984 1.00 1.75 H new ATOM 0 HG21 VAL A 7 -13.964 -0.454 -5.964 1.00 1.62 H new ATOM 0 HG22 VAL A 7 -14.324 -1.771 -7.105 1.00 1.62 H new ATOM 0 HG23 VAL A 7 -13.061 -1.985 -5.870 1.00 1.62 H new ATOM 106 N ARG A 8 -11.068 -1.016 -10.529 1.00 0.58 N ATOM 107 CA ARG A 8 -10.108 -0.333 -11.374 1.00 0.74 C ATOM 108 C ARG A 8 -10.327 1.141 -11.137 1.00 0.87 C ATOM 109 O ARG A 8 -11.407 1.660 -11.400 1.00 1.28 O ATOM 110 CB ARG A 8 -10.290 -0.629 -12.863 1.00 1.09 C ATOM 111 CG ARG A 8 -9.890 -2.065 -13.206 1.00 1.90 C ATOM 112 CD ARG A 8 -11.079 -3.023 -13.124 1.00 2.64 C ATOM 113 NE ARG A 8 -12.111 -2.655 -14.108 1.00 2.97 N ATOM 114 CZ ARG A 8 -13.411 -2.440 -13.874 1.00 3.72 C ATOM 115 NH1 ARG A 8 -14.186 -1.954 -14.845 1.00 4.46 N ATOM 116 NH2 ARG A 8 -13.937 -2.688 -12.675 1.00 4.57 N ATOM 0 H ARG A 8 -11.971 -1.206 -10.965 1.00 0.58 H new ATOM 0 HA ARG A 8 -9.103 -0.672 -11.120 1.00 0.74 H new ATOM 0 HB2 ARG A 8 -11.331 -0.464 -13.143 1.00 1.09 H new ATOM 0 HB3 ARG A 8 -9.689 0.066 -13.449 1.00 1.09 H new ATOM 0 HG2 ARG A 8 -9.469 -2.094 -14.211 1.00 1.90 H new ATOM 0 HG3 ARG A 8 -9.108 -2.397 -12.523 1.00 1.90 H new ATOM 0 HD2 ARG A 8 -10.743 -4.044 -13.306 1.00 2.64 H new ATOM 0 HD3 ARG A 8 -11.502 -3.001 -12.120 1.00 2.64 H new ATOM 0 HE ARG A 8 -11.801 -2.553 -15.074 1.00 2.97 H new ATOM 0 HH11 ARG A 8 -13.787 -1.748 -15.761 1.00 4.46 H new ATOM 0 HH12 ARG A 8 -15.177 -1.788 -14.672 1.00 4.46 H new ATOM 0 HH21 ARG A 8 -13.347 -3.046 -11.923 1.00 4.57 H new ATOM 0 HH22 ARG A 8 -14.929 -2.520 -12.509 1.00 4.57 H new ATOM 130 N GLY A 9 -9.283 1.796 -10.671 1.00 0.72 N ATOM 131 CA GLY A 9 -9.210 3.224 -10.538 1.00 0.83 C ATOM 132 C GLY A 9 -7.731 3.547 -10.499 1.00 0.67 C ATOM 133 O GLY A 9 -6.917 2.801 -11.043 1.00 0.83 O ATOM 0 H GLY A 9 -8.433 1.323 -10.365 1.00 0.72 H new ATOM 0 HA2 GLY A 9 -9.699 3.722 -11.375 1.00 0.83 H new ATOM 0 HA3 GLY A 9 -9.710 3.560 -9.630 1.00 0.83 H new ATOM 137 N ASP A 10 -7.386 4.629 -9.828 1.00 0.65 N ATOM 138 CA ASP A 10 -6.021 5.080 -9.685 1.00 0.55 C ATOM 139 C ASP A 10 -5.890 5.590 -8.256 1.00 0.52 C ATOM 140 O ASP A 10 -6.893 5.789 -7.577 1.00 0.53 O ATOM 141 CB ASP A 10 -5.722 6.154 -10.746 1.00 0.60 C ATOM 142 CG ASP A 10 -4.634 5.664 -11.703 1.00 1.37 C ATOM 143 OD1 ASP A 10 -4.928 5.449 -12.907 1.00 2.42 O ATOM 144 OD2 ASP A 10 -3.510 5.497 -11.183 1.00 2.23 O ATOM 0 H ASP A 10 -8.064 5.230 -9.358 1.00 0.65 H new ATOM 0 HA ASP A 10 -5.291 4.288 -9.850 1.00 0.55 H new ATOM 0 HB2 ASP A 10 -6.629 6.387 -11.304 1.00 0.60 H new ATOM 0 HB3 ASP A 10 -5.401 7.076 -10.260 1.00 0.60 H new ATOM 149 N ILE A 11 -4.673 5.800 -7.766 1.00 0.53 N ATOM 150 CA ILE A 11 -4.452 6.237 -6.385 1.00 0.53 C ATOM 151 C ILE A 11 -5.082 7.613 -6.185 1.00 0.53 C ATOM 152 O ILE A 11 -5.748 7.884 -5.192 1.00 0.53 O ATOM 153 CB ILE A 11 -2.940 6.228 -6.122 1.00 0.60 C ATOM 154 CG1 ILE A 11 -2.473 4.761 -6.135 1.00 1.46 C ATOM 155 CG2 ILE A 11 -2.498 6.881 -4.805 1.00 1.58 C ATOM 156 CD1 ILE A 11 -0.967 4.713 -6.333 1.00 2.81 C ATOM 0 H ILE A 11 -3.817 5.675 -8.306 1.00 0.53 H new ATOM 0 HA ILE A 11 -4.925 5.567 -5.667 1.00 0.53 H new ATOM 0 HB ILE A 11 -2.484 6.832 -6.907 1.00 0.60 H new ATOM 0 HG12 ILE A 11 -2.744 4.273 -5.198 1.00 1.46 H new ATOM 0 HG13 ILE A 11 -2.974 4.215 -6.935 1.00 1.46 H new ATOM 0 HG21 ILE A 11 -1.413 6.822 -4.716 1.00 1.58 H new ATOM 0 HG22 ILE A 11 -2.807 7.926 -4.796 1.00 1.58 H new ATOM 0 HG23 ILE A 11 -2.960 6.359 -3.967 1.00 1.58 H new ATOM 0 HD11 ILE A 11 -0.634 3.675 -6.342 1.00 2.81 H new ATOM 0 HD12 ILE A 11 -0.709 5.185 -7.281 1.00 2.81 H new ATOM 0 HD13 ILE A 11 -0.476 5.244 -5.518 1.00 2.81 H new ATOM 168 N ALA A 12 -4.909 8.478 -7.180 1.00 0.58 N ATOM 169 CA ALA A 12 -5.486 9.814 -7.207 1.00 0.60 C ATOM 170 C ALA A 12 -7.018 9.796 -7.328 1.00 0.58 C ATOM 171 O ALA A 12 -7.638 10.856 -7.279 1.00 0.65 O ATOM 172 CB ALA A 12 -4.858 10.616 -8.351 1.00 0.68 C ATOM 0 H ALA A 12 -4.351 8.263 -8.007 1.00 0.58 H new ATOM 0 HA ALA A 12 -5.261 10.293 -6.254 1.00 0.60 H new ATOM 0 HB1 ALA A 12 -5.289 11.617 -8.373 1.00 0.68 H new ATOM 0 HB2 ALA A 12 -3.781 10.688 -8.197 1.00 0.68 H new ATOM 0 HB3 ALA A 12 -5.056 10.115 -9.298 1.00 0.68 H new ATOM 178 N THR A 13 -7.640 8.624 -7.484 1.00 0.54 N ATOM 179 CA THR A 13 -9.089 8.478 -7.488 1.00 0.56 C ATOM 180 C THR A 13 -9.540 7.403 -6.493 1.00 0.50 C ATOM 181 O THR A 13 -10.713 7.038 -6.479 1.00 0.51 O ATOM 182 CB THR A 13 -9.594 8.187 -8.910 1.00 0.65 C ATOM 183 OG1 THR A 13 -9.230 6.899 -9.354 1.00 0.59 O ATOM 184 CG2 THR A 13 -9.045 9.188 -9.930 1.00 0.75 C ATOM 0 H THR A 13 -7.142 7.743 -7.612 1.00 0.54 H new ATOM 0 HA THR A 13 -9.532 9.419 -7.163 1.00 0.56 H new ATOM 0 HB THR A 13 -10.679 8.268 -8.846 1.00 0.65 H new ATOM 0 HG1 THR A 13 -9.573 6.757 -10.261 1.00 0.59 H new ATOM 0 HG21 THR A 13 -9.428 8.944 -10.921 1.00 0.75 H new ATOM 0 HG22 THR A 13 -9.360 10.195 -9.657 1.00 0.75 H new ATOM 0 HG23 THR A 13 -7.956 9.138 -9.939 1.00 0.75 H new ATOM 192 N ALA A 14 -8.638 6.918 -5.634 1.00 0.47 N ATOM 193 CA ALA A 14 -8.907 5.906 -4.626 1.00 0.45 C ATOM 194 C ALA A 14 -9.435 6.597 -3.373 1.00 0.45 C ATOM 195 O ALA A 14 -8.837 6.555 -2.301 1.00 0.49 O ATOM 196 CB ALA A 14 -7.614 5.135 -4.348 1.00 0.46 C ATOM 0 H ALA A 14 -7.669 7.235 -5.627 1.00 0.47 H new ATOM 0 HA ALA A 14 -9.660 5.195 -4.967 1.00 0.45 H new ATOM 0 HB1 ALA A 14 -7.801 4.372 -3.593 1.00 0.46 H new ATOM 0 HB2 ALA A 14 -7.269 4.660 -5.266 1.00 0.46 H new ATOM 0 HB3 ALA A 14 -6.850 5.824 -3.987 1.00 0.46 H new ATOM 202 N THR A 15 -10.553 7.295 -3.513 1.00 0.47 N ATOM 203 CA THR A 15 -11.114 8.145 -2.478 1.00 0.50 C ATOM 204 C THR A 15 -11.892 7.362 -1.408 1.00 0.50 C ATOM 205 O THR A 15 -12.809 7.911 -0.795 1.00 0.66 O ATOM 206 CB THR A 15 -11.974 9.210 -3.170 1.00 0.58 C ATOM 207 OG1 THR A 15 -12.769 8.614 -4.172 1.00 1.09 O ATOM 208 CG2 THR A 15 -11.074 10.253 -3.838 1.00 0.94 C ATOM 0 H THR A 15 -11.106 7.284 -4.370 1.00 0.47 H new ATOM 0 HA THR A 15 -10.306 8.621 -1.922 1.00 0.50 H new ATOM 0 HB THR A 15 -12.607 9.681 -2.418 1.00 0.58 H new ATOM 0 HG1 THR A 15 -13.316 9.301 -4.607 1.00 1.09 H new ATOM 0 HG21 THR A 15 -11.691 11.006 -4.328 1.00 0.94 H new ATOM 0 HG22 THR A 15 -10.449 10.731 -3.084 1.00 0.94 H new ATOM 0 HG23 THR A 15 -10.440 9.766 -4.579 1.00 0.94 H new ATOM 216 N GLU A 16 -11.465 6.139 -1.073 1.00 0.48 N ATOM 217 CA GLU A 16 -12.023 5.234 -0.064 1.00 0.51 C ATOM 218 C GLU A 16 -11.861 5.726 1.383 1.00 0.55 C ATOM 219 O GLU A 16 -11.895 4.939 2.324 1.00 0.59 O ATOM 220 CB GLU A 16 -11.335 3.866 -0.232 1.00 0.53 C ATOM 221 CG GLU A 16 -12.023 2.969 -1.263 1.00 0.70 C ATOM 222 CD GLU A 16 -12.060 3.563 -2.668 1.00 1.97 C ATOM 223 OE1 GLU A 16 -13.088 3.349 -3.348 1.00 2.72 O ATOM 224 OE2 GLU A 16 -11.060 4.205 -3.060 1.00 3.30 O ATOM 0 H GLU A 16 -10.657 5.725 -1.537 1.00 0.48 H new ATOM 0 HA GLU A 16 -13.099 5.177 -0.230 1.00 0.51 H new ATOM 0 HB2 GLU A 16 -10.298 4.022 -0.530 1.00 0.53 H new ATOM 0 HB3 GLU A 16 -11.317 3.355 0.731 1.00 0.53 H new ATOM 0 HG2 GLU A 16 -11.507 2.009 -1.298 1.00 0.70 H new ATOM 0 HG3 GLU A 16 -13.044 2.771 -0.935 1.00 0.70 H new ATOM 231 N GLY A 17 -11.644 7.019 1.609 1.00 0.64 N ATOM 232 CA GLY A 17 -11.350 7.545 2.928 1.00 0.70 C ATOM 233 C GLY A 17 -9.846 7.538 3.149 1.00 0.68 C ATOM 234 O GLY A 17 -9.307 8.501 3.691 1.00 0.77 O ATOM 0 H GLY A 17 -11.668 7.729 0.877 1.00 0.64 H new ATOM 0 HA2 GLY A 17 -11.738 8.559 3.022 1.00 0.70 H new ATOM 0 HA3 GLY A 17 -11.844 6.943 3.690 1.00 0.70 H new ATOM 238 N VAL A 18 -9.176 6.467 2.717 1.00 0.61 N ATOM 239 CA VAL A 18 -7.756 6.272 2.926 1.00 0.66 C ATOM 240 C VAL A 18 -7.138 5.602 1.710 1.00 0.59 C ATOM 241 O VAL A 18 -7.767 4.778 1.047 1.00 0.59 O ATOM 242 CB VAL A 18 -7.553 5.458 4.214 1.00 0.79 C ATOM 243 CG1 VAL A 18 -6.314 4.551 4.207 1.00 0.95 C ATOM 244 CG2 VAL A 18 -7.468 6.431 5.390 1.00 1.57 C ATOM 0 H VAL A 18 -9.620 5.704 2.205 1.00 0.61 H new ATOM 0 HA VAL A 18 -7.250 7.230 3.048 1.00 0.66 H new ATOM 0 HB VAL A 18 -8.407 4.786 4.300 1.00 0.79 H new ATOM 0 HG11 VAL A 18 -6.250 4.015 5.154 1.00 0.95 H new ATOM 0 HG12 VAL A 18 -6.392 3.835 3.389 1.00 0.95 H new ATOM 0 HG13 VAL A 18 -5.419 5.159 4.073 1.00 0.95 H new ATOM 0 HG21 VAL A 18 -7.324 5.872 6.315 1.00 1.57 H new ATOM 0 HG22 VAL A 18 -6.628 7.109 5.241 1.00 1.57 H new ATOM 0 HG23 VAL A 18 -8.392 7.006 5.454 1.00 1.57 H new ATOM 254 N ILE A 19 -5.877 5.962 1.479 1.00 0.58 N ATOM 255 CA ILE A 19 -5.015 5.578 0.385 1.00 0.59 C ATOM 256 C ILE A 19 -3.705 5.153 1.043 1.00 0.56 C ATOM 257 O ILE A 19 -3.287 5.804 2.000 1.00 0.56 O ATOM 258 CB ILE A 19 -4.805 6.812 -0.515 1.00 0.63 C ATOM 259 CG1 ILE A 19 -6.130 7.230 -1.174 1.00 0.70 C ATOM 260 CG2 ILE A 19 -3.750 6.539 -1.593 1.00 0.87 C ATOM 261 CD1 ILE A 19 -6.090 8.596 -1.871 1.00 1.31 C ATOM 0 H ILE A 19 -5.395 6.591 2.121 1.00 0.58 H new ATOM 0 HA ILE A 19 -5.420 4.775 -0.231 1.00 0.59 H new ATOM 0 HB ILE A 19 -4.448 7.626 0.116 1.00 0.63 H new ATOM 0 HG12 ILE A 19 -6.413 6.472 -1.904 1.00 0.70 H new ATOM 0 HG13 ILE A 19 -6.910 7.247 -0.413 1.00 0.70 H new ATOM 0 HG21 ILE A 19 -3.624 7.427 -2.212 1.00 0.87 H new ATOM 0 HG22 ILE A 19 -2.801 6.290 -1.118 1.00 0.87 H new ATOM 0 HG23 ILE A 19 -4.074 5.706 -2.216 1.00 0.87 H new ATOM 0 HD11 ILE A 19 -7.065 8.810 -2.308 1.00 1.31 H new ATOM 0 HD12 ILE A 19 -5.840 9.368 -1.144 1.00 1.31 H new ATOM 0 HD13 ILE A 19 -5.336 8.581 -2.658 1.00 1.31 H new ATOM 273 N ILE A 20 -3.060 4.096 0.546 1.00 0.57 N ATOM 274 CA ILE A 20 -1.765 3.650 1.036 1.00 0.58 C ATOM 275 C ILE A 20 -0.776 3.826 -0.106 1.00 0.58 C ATOM 276 O ILE A 20 -1.073 3.466 -1.244 1.00 0.70 O ATOM 277 CB ILE A 20 -1.826 2.190 1.523 1.00 0.70 C ATOM 278 CG1 ILE A 20 -2.613 2.039 2.836 1.00 0.72 C ATOM 279 CG2 ILE A 20 -0.423 1.636 1.808 1.00 1.02 C ATOM 280 CD1 ILE A 20 -4.123 2.031 2.634 1.00 0.52 C ATOM 0 H ILE A 20 -3.429 3.524 -0.214 1.00 0.57 H new ATOM 0 HA ILE A 20 -1.452 4.238 1.899 1.00 0.58 H new ATOM 0 HB ILE A 20 -2.318 1.645 0.717 1.00 0.70 H new ATOM 0 HG12 ILE A 20 -2.314 1.113 3.327 1.00 0.72 H new ATOM 0 HG13 ILE A 20 -2.347 2.856 3.507 1.00 0.72 H new ATOM 0 HG21 ILE A 20 -0.502 0.604 2.150 1.00 1.02 H new ATOM 0 HG22 ILE A 20 0.174 1.672 0.897 1.00 1.02 H new ATOM 0 HG23 ILE A 20 0.056 2.238 2.580 1.00 1.02 H new ATOM 0 HD11 ILE A 20 -4.619 1.922 3.599 1.00 0.52 H new ATOM 0 HD12 ILE A 20 -4.433 2.968 2.171 1.00 0.52 H new ATOM 0 HD13 ILE A 20 -4.399 1.198 1.988 1.00 0.52 H new ATOM 292 N ASN A 21 0.401 4.367 0.203 1.00 0.57 N ATOM 293 CA ASN A 21 1.439 4.679 -0.765 1.00 0.66 C ATOM 294 C ASN A 21 2.779 4.172 -0.236 1.00 0.61 C ATOM 295 O ASN A 21 3.138 4.458 0.904 1.00 0.69 O ATOM 296 CB ASN A 21 1.473 6.199 -0.959 1.00 0.95 C ATOM 297 CG ASN A 21 1.676 6.607 -2.407 1.00 1.36 C ATOM 298 OD1 ASN A 21 1.923 5.777 -3.275 1.00 1.84 O ATOM 299 ND2 ASN A 21 1.574 7.899 -2.678 1.00 2.27 N ATOM 0 H ASN A 21 0.661 4.605 1.160 1.00 0.57 H new ATOM 0 HA ASN A 21 1.239 4.198 -1.722 1.00 0.66 H new ATOM 0 HB2 ASN A 21 0.540 6.627 -0.594 1.00 0.95 H new ATOM 0 HB3 ASN A 21 2.275 6.619 -0.353 1.00 0.95 H new ATOM 0 HD21 ASN A 21 1.702 8.231 -3.634 1.00 2.27 H new ATOM 0 HD22 ASN A 21 1.367 8.562 -1.931 1.00 2.27 H new ATOM 306 N ALA A 22 3.538 3.405 -1.017 1.00 0.64 N ATOM 307 CA ALA A 22 4.786 2.844 -0.510 1.00 0.77 C ATOM 308 C ALA A 22 5.941 3.804 -0.777 1.00 1.13 C ATOM 309 O ALA A 22 6.604 3.705 -1.810 1.00 2.50 O ATOM 310 CB ALA A 22 5.041 1.486 -1.141 1.00 1.36 C ATOM 0 H ALA A 22 3.316 3.162 -1.983 1.00 0.64 H new ATOM 0 HA ALA A 22 4.706 2.706 0.568 1.00 0.77 H new ATOM 0 HB1 ALA A 22 5.975 1.076 -0.756 1.00 1.36 H new ATOM 0 HB2 ALA A 22 4.220 0.812 -0.897 1.00 1.36 H new ATOM 0 HB3 ALA A 22 5.111 1.595 -2.223 1.00 1.36 H new ATOM 316 N ALA A 23 6.153 4.721 0.167 1.00 0.43 N ATOM 317 CA ALA A 23 7.160 5.775 0.179 1.00 0.68 C ATOM 318 C ALA A 23 8.565 5.246 0.453 1.00 0.69 C ATOM 319 O ALA A 23 9.531 5.633 -0.209 1.00 1.02 O ATOM 320 CB ALA A 23 6.772 6.751 1.277 1.00 1.02 C ATOM 0 H ALA A 23 5.578 4.745 1.009 1.00 0.43 H new ATOM 0 HA ALA A 23 7.188 6.245 -0.804 1.00 0.68 H new ATOM 0 HB1 ALA A 23 7.502 7.559 1.320 1.00 1.02 H new ATOM 0 HB2 ALA A 23 5.786 7.164 1.065 1.00 1.02 H new ATOM 0 HB3 ALA A 23 6.749 6.231 2.235 1.00 1.02 H new ATOM 326 N ASN A 24 8.688 4.344 1.425 1.00 0.50 N ATOM 327 CA ASN A 24 9.947 3.683 1.754 1.00 0.61 C ATOM 328 C ASN A 24 10.936 4.631 2.426 1.00 0.79 C ATOM 329 O ASN A 24 10.720 5.837 2.515 1.00 1.06 O ATOM 330 CB ASN A 24 10.567 3.004 0.520 1.00 0.96 C ATOM 331 CG ASN A 24 9.507 2.350 -0.355 1.00 1.31 C ATOM 332 OD1 ASN A 24 8.895 1.362 0.032 1.00 1.60 O ATOM 333 ND2 ASN A 24 9.255 2.931 -1.521 1.00 1.81 N ATOM 0 H ASN A 24 7.907 4.049 2.012 1.00 0.50 H new ATOM 0 HA ASN A 24 9.715 2.902 2.478 1.00 0.61 H new ATOM 0 HB2 ASN A 24 11.116 3.742 -0.064 1.00 0.96 H new ATOM 0 HB3 ASN A 24 11.288 2.252 0.842 1.00 0.96 H new ATOM 0 HD21 ASN A 24 8.529 2.556 -2.131 1.00 1.81 H new ATOM 0 HD22 ASN A 24 9.787 3.753 -1.807 1.00 1.81 H new ATOM 340 N SER A 25 12.096 4.091 2.803 1.00 0.99 N ATOM 341 CA SER A 25 13.211 4.886 3.305 1.00 1.35 C ATOM 342 C SER A 25 13.765 5.850 2.251 1.00 1.92 C ATOM 343 O SER A 25 14.648 6.644 2.558 1.00 2.44 O ATOM 344 CB SER A 25 14.332 3.949 3.756 1.00 1.55 C ATOM 345 OG SER A 25 15.264 4.632 4.568 1.00 1.63 O ATOM 0 H SER A 25 12.286 3.089 2.768 1.00 0.99 H new ATOM 0 HA SER A 25 12.838 5.483 4.137 1.00 1.35 H new ATOM 0 HB2 SER A 25 13.910 3.109 4.308 1.00 1.55 H new ATOM 0 HB3 SER A 25 14.838 3.535 2.884 1.00 1.55 H new ATOM 0 HG SER A 25 15.371 5.550 4.242 1.00 1.63 H new ATOM 351 N LYS A 26 13.305 5.752 0.999 1.00 1.96 N ATOM 352 CA LYS A 26 13.740 6.603 -0.096 1.00 2.49 C ATOM 353 C LYS A 26 12.978 7.925 -0.053 1.00 2.45 C ATOM 354 O LYS A 26 13.369 8.875 -0.720 1.00 2.86 O ATOM 355 CB LYS A 26 13.499 5.885 -1.432 1.00 2.52 C ATOM 356 CG LYS A 26 14.148 4.492 -1.444 1.00 2.98 C ATOM 357 CD LYS A 26 13.923 3.784 -2.787 1.00 3.33 C ATOM 358 CE LYS A 26 14.013 2.258 -2.645 1.00 3.62 C ATOM 359 NZ LYS A 26 12.891 1.702 -1.853 1.00 4.53 N ATOM 0 H LYS A 26 12.606 5.063 0.721 1.00 1.96 H new ATOM 0 HA LYS A 26 14.805 6.812 0.003 1.00 2.49 H new ATOM 0 HB2 LYS A 26 12.427 5.791 -1.608 1.00 2.52 H new ATOM 0 HB3 LYS A 26 13.904 6.484 -2.247 1.00 2.52 H new ATOM 0 HG2 LYS A 26 15.217 4.585 -1.254 1.00 2.98 H new ATOM 0 HG3 LYS A 26 13.732 3.888 -0.638 1.00 2.98 H new ATOM 0 HD2 LYS A 26 12.944 4.056 -3.182 1.00 3.33 H new ATOM 0 HD3 LYS A 26 14.665 4.127 -3.508 1.00 3.33 H new ATOM 0 HE2 LYS A 26 14.017 1.802 -3.635 1.00 3.62 H new ATOM 0 HE3 LYS A 26 14.957 1.994 -2.169 1.00 3.62 H new ATOM 0 HZ1 LYS A 26 13.046 0.686 -1.697 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 12.839 2.189 -0.936 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 11.999 1.841 -2.370 1.00 4.53 H new ATOM 373 N GLY A 27 11.873 7.974 0.696 1.00 2.10 N ATOM 374 CA GLY A 27 11.032 9.146 0.804 1.00 2.32 C ATOM 375 C GLY A 27 10.322 9.445 -0.505 1.00 2.24 C ATOM 376 O GLY A 27 10.072 10.606 -0.817 1.00 2.96 O ATOM 0 H GLY A 27 11.542 7.183 1.249 1.00 2.10 H new ATOM 0 HA2 GLY A 27 10.295 8.995 1.592 1.00 2.32 H new ATOM 0 HA3 GLY A 27 11.638 10.004 1.095 1.00 2.32 H new ATOM 380 N GLN A 28 9.998 8.407 -1.280 1.00 1.54 N ATOM 381 CA GLN A 28 9.377 8.589 -2.572 1.00 1.42 C ATOM 382 C GLN A 28 8.429 7.421 -2.829 1.00 0.99 C ATOM 383 O GLN A 28 8.888 6.279 -2.901 1.00 0.95 O ATOM 384 CB GLN A 28 10.471 8.661 -3.642 1.00 1.67 C ATOM 385 CG GLN A 28 9.827 8.831 -5.018 1.00 1.53 C ATOM 386 CD GLN A 28 10.864 9.110 -6.096 1.00 1.88 C ATOM 387 OE1 GLN A 28 11.087 10.248 -6.489 1.00 2.13 O ATOM 388 NE2 GLN A 28 11.525 8.074 -6.599 1.00 2.95 N ATOM 0 H GLN A 28 10.161 7.433 -1.024 1.00 1.54 H new ATOM 0 HA GLN A 28 8.803 9.515 -2.602 1.00 1.42 H new ATOM 0 HB2 GLN A 28 11.141 9.496 -3.437 1.00 1.67 H new ATOM 0 HB3 GLN A 28 11.076 7.754 -3.621 1.00 1.67 H new ATOM 0 HG2 GLN A 28 9.271 7.929 -5.273 1.00 1.53 H new ATOM 0 HG3 GLN A 28 9.108 9.650 -4.984 1.00 1.53 H new ATOM 0 HE21 GLN A 28 11.329 7.131 -6.262 1.00 2.95 H new ATOM 0 HE22 GLN A 28 12.229 8.221 -7.322 1.00 2.95 H new ATOM 397 N PRO A 29 7.123 7.676 -2.986 1.00 0.97 N ATOM 398 CA PRO A 29 6.173 6.625 -3.290 1.00 0.99 C ATOM 399 C PRO A 29 6.509 6.007 -4.643 1.00 1.05 C ATOM 400 O PRO A 29 6.757 6.723 -5.611 1.00 1.22 O ATOM 401 CB PRO A 29 4.795 7.278 -3.233 1.00 1.42 C ATOM 402 CG PRO A 29 5.075 8.750 -3.508 1.00 1.46 C ATOM 403 CD PRO A 29 6.465 8.970 -2.915 1.00 1.32 C ATOM 0 HA PRO A 29 6.203 5.797 -2.582 1.00 0.99 H new ATOM 0 HB2 PRO A 29 4.121 6.854 -3.977 1.00 1.42 H new ATOM 0 HB3 PRO A 29 4.325 7.136 -2.260 1.00 1.42 H new ATOM 0 HG2 PRO A 29 5.056 8.969 -4.576 1.00 1.46 H new ATOM 0 HG3 PRO A 29 4.332 9.394 -3.037 1.00 1.46 H new ATOM 0 HD2 PRO A 29 7.017 9.723 -3.477 1.00 1.32 H new ATOM 0 HD3 PRO A 29 6.402 9.323 -1.886 1.00 1.32 H new ATOM 411 N GLY A 30 6.568 4.674 -4.699 1.00 1.22 N ATOM 412 CA GLY A 30 6.972 3.974 -5.902 1.00 1.49 C ATOM 413 C GLY A 30 5.970 4.193 -7.031 1.00 1.91 C ATOM 414 O GLY A 30 4.761 4.111 -6.821 1.00 2.59 O ATOM 0 H GLY A 30 6.338 4.063 -3.916 1.00 1.22 H new ATOM 0 HA2 GLY A 30 7.957 4.321 -6.214 1.00 1.49 H new ATOM 0 HA3 GLY A 30 7.061 2.908 -5.693 1.00 1.49 H new ATOM 418 N GLY A 31 6.482 4.422 -8.241 1.00 1.78 N ATOM 419 CA GLY A 31 5.667 4.647 -9.421 1.00 2.26 C ATOM 420 C GLY A 31 5.566 6.139 -9.716 1.00 1.80 C ATOM 421 O GLY A 31 5.717 6.977 -8.830 1.00 3.25 O ATOM 0 H GLY A 31 7.485 4.456 -8.424 1.00 1.78 H new ATOM 0 HA2 GLY A 31 6.101 4.129 -10.276 1.00 2.26 H new ATOM 0 HA3 GLY A 31 4.671 4.231 -9.268 1.00 2.26 H new ATOM 425 N GLY A 32 5.219 6.495 -10.955 1.00 1.33 N ATOM 426 CA GLY A 32 5.021 7.893 -11.326 1.00 1.79 C ATOM 427 C GLY A 32 3.793 8.515 -10.654 1.00 1.63 C ATOM 428 O GLY A 32 3.498 9.690 -10.862 1.00 1.71 O ATOM 0 H GLY A 32 5.070 5.833 -11.716 1.00 1.33 H new ATOM 0 HA2 GLY A 32 5.908 8.466 -11.054 1.00 1.79 H new ATOM 0 HA3 GLY A 32 4.914 7.966 -12.408 1.00 1.79 H new ATOM 432 N VAL A 33 3.071 7.749 -9.833 1.00 1.48 N ATOM 433 CA VAL A 33 1.876 8.191 -9.145 1.00 1.33 C ATOM 434 C VAL A 33 2.175 9.319 -8.170 1.00 1.16 C ATOM 435 O VAL A 33 1.278 10.102 -7.876 1.00 1.18 O ATOM 436 CB VAL A 33 1.194 6.999 -8.452 1.00 1.27 C ATOM 437 CG1 VAL A 33 1.155 5.787 -9.397 1.00 1.82 C ATOM 438 CG2 VAL A 33 1.912 6.609 -7.152 1.00 1.90 C ATOM 0 H VAL A 33 3.316 6.780 -9.629 1.00 1.48 H new ATOM 0 HA VAL A 33 1.184 8.596 -9.883 1.00 1.33 H new ATOM 0 HB VAL A 33 0.178 7.306 -8.201 1.00 1.27 H new ATOM 0 HG11 VAL A 33 0.670 4.950 -8.895 1.00 1.82 H new ATOM 0 HG12 VAL A 33 0.595 6.045 -10.296 1.00 1.82 H new ATOM 0 HG13 VAL A 33 2.172 5.506 -9.671 1.00 1.82 H new ATOM 0 HG21 VAL A 33 1.400 5.763 -6.693 1.00 1.90 H new ATOM 0 HG22 VAL A 33 2.942 6.332 -7.375 1.00 1.90 H new ATOM 0 HG23 VAL A 33 1.904 7.455 -6.464 1.00 1.90 H new ATOM 448 N CYS A 34 3.430 9.453 -7.721 1.00 1.10 N ATOM 449 CA CYS A 34 3.849 10.604 -6.936 1.00 1.15 C ATOM 450 C CYS A 34 3.403 11.901 -7.615 1.00 1.37 C ATOM 451 O CYS A 34 2.996 12.843 -6.943 1.00 1.48 O ATOM 452 CB CYS A 34 5.373 10.595 -6.763 1.00 1.23 C ATOM 453 SG CYS A 34 5.823 11.697 -5.394 1.00 2.23 S ATOM 0 H CYS A 34 4.169 8.772 -7.893 1.00 1.10 H new ATOM 0 HA CYS A 34 3.381 10.547 -5.953 1.00 1.15 H new ATOM 0 HB2 CYS A 34 5.722 9.582 -6.561 1.00 1.23 H new ATOM 0 HB3 CYS A 34 5.858 10.922 -7.683 1.00 1.23 H new ATOM 0 HG CYS A 34 7.114 11.693 -5.240 1.00 2.23 H new ATOM 459 N GLY A 35 3.480 11.952 -8.947 1.00 1.53 N ATOM 460 CA GLY A 35 3.152 13.143 -9.710 1.00 1.81 C ATOM 461 C GLY A 35 1.644 13.353 -9.793 1.00 1.66 C ATOM 462 O GLY A 35 1.174 14.487 -9.772 1.00 1.69 O ATOM 0 H GLY A 35 3.773 11.162 -9.522 1.00 1.53 H new ATOM 0 HA2 GLY A 35 3.617 14.013 -9.247 1.00 1.81 H new ATOM 0 HA3 GLY A 35 3.565 13.058 -10.715 1.00 1.81 H new ATOM 466 N ALA A 36 0.868 12.273 -9.901 1.00 1.54 N ATOM 467 CA ALA A 36 -0.580 12.376 -10.006 1.00 1.42 C ATOM 468 C ALA A 36 -1.146 12.876 -8.685 1.00 1.32 C ATOM 469 O ALA A 36 -1.877 13.867 -8.649 1.00 1.35 O ATOM 470 CB ALA A 36 -1.172 11.015 -10.389 1.00 1.34 C ATOM 0 H ALA A 36 1.224 11.317 -9.918 1.00 1.54 H new ATOM 0 HA ALA A 36 -0.848 13.088 -10.786 1.00 1.42 H new ATOM 0 HB1 ALA A 36 -2.256 11.098 -10.466 1.00 1.34 H new ATOM 0 HB2 ALA A 36 -0.763 10.697 -11.348 1.00 1.34 H new ATOM 0 HB3 ALA A 36 -0.918 10.280 -9.625 1.00 1.34 H new ATOM 476 N LEU A 37 -0.790 12.200 -7.593 1.00 1.23 N ATOM 477 CA LEU A 37 -1.237 12.582 -6.271 1.00 1.19 C ATOM 478 C LEU A 37 -0.754 13.978 -5.938 1.00 1.26 C ATOM 479 O LEU A 37 -1.516 14.753 -5.393 1.00 1.32 O ATOM 480 CB LEU A 37 -0.767 11.573 -5.219 1.00 1.19 C ATOM 481 CG LEU A 37 -1.420 11.840 -3.848 1.00 1.23 C ATOM 482 CD1 LEU A 37 -2.854 11.295 -3.839 1.00 1.21 C ATOM 483 CD2 LEU A 37 -0.637 11.105 -2.761 1.00 1.35 C ATOM 0 H LEU A 37 -0.187 11.378 -7.608 1.00 1.23 H new ATOM 0 HA LEU A 37 -2.327 12.583 -6.263 1.00 1.19 H new ATOM 0 HB2 LEU A 37 -1.010 10.563 -5.548 1.00 1.19 H new ATOM 0 HB3 LEU A 37 0.318 11.625 -5.123 1.00 1.19 H new ATOM 0 HG LEU A 37 -1.421 12.915 -3.665 1.00 1.23 H new ATOM 0 HD11 LEU A 37 -3.310 11.487 -2.868 1.00 1.21 H new ATOM 0 HD12 LEU A 37 -3.436 11.789 -4.617 1.00 1.21 H new ATOM 0 HD13 LEU A 37 -2.836 10.221 -4.026 1.00 1.21 H new ATOM 0 HD21 LEU A 37 -1.097 11.293 -1.791 1.00 1.35 H new ATOM 0 HD22 LEU A 37 -0.647 10.035 -2.966 1.00 1.35 H new ATOM 0 HD23 LEU A 37 0.393 11.463 -2.749 1.00 1.35 H new ATOM 495 N TYR A 38 0.469 14.340 -6.300 1.00 1.31 N ATOM 496 CA TYR A 38 0.930 15.713 -6.169 1.00 1.43 C ATOM 497 C TYR A 38 0.025 16.683 -6.927 1.00 1.57 C ATOM 498 O TYR A 38 -0.273 17.763 -6.431 1.00 1.71 O ATOM 499 CB TYR A 38 2.353 15.766 -6.708 1.00 1.45 C ATOM 500 CG TYR A 38 2.966 17.136 -6.922 1.00 1.66 C ATOM 501 CD1 TYR A 38 3.822 17.687 -5.953 1.00 2.66 C ATOM 502 CD2 TYR A 38 2.731 17.828 -8.126 1.00 1.99 C ATOM 503 CE1 TYR A 38 4.422 18.939 -6.170 1.00 2.93 C ATOM 504 CE2 TYR A 38 3.321 19.083 -8.349 1.00 2.37 C ATOM 505 CZ TYR A 38 4.168 19.646 -7.366 1.00 2.43 C ATOM 506 OH TYR A 38 4.756 20.859 -7.566 1.00 2.89 O ATOM 0 H TYR A 38 1.161 13.699 -6.688 1.00 1.31 H new ATOM 0 HA TYR A 38 0.902 16.018 -5.123 1.00 1.43 H new ATOM 0 HB2 TYR A 38 2.994 15.213 -6.021 1.00 1.45 H new ATOM 0 HB3 TYR A 38 2.373 15.235 -7.660 1.00 1.45 H new ATOM 0 HD1 TYR A 38 4.019 17.147 -5.039 1.00 2.66 H new ATOM 0 HD2 TYR A 38 2.094 17.392 -8.881 1.00 1.99 H new ATOM 0 HE1 TYR A 38 5.077 19.361 -5.422 1.00 2.93 H new ATOM 0 HE2 TYR A 38 3.129 19.616 -9.268 1.00 2.37 H new ATOM 0 HH TYR A 38 4.482 21.216 -8.437 1.00 2.89 H new ATOM 516 N LYS A 39 -0.389 16.352 -8.154 1.00 1.60 N ATOM 517 CA LYS A 39 -1.038 17.343 -9.001 1.00 1.83 C ATOM 518 C LYS A 39 -2.445 17.615 -8.488 1.00 1.81 C ATOM 519 O LYS A 39 -2.962 18.717 -8.645 1.00 2.05 O ATOM 520 CB LYS A 39 -1.034 16.879 -10.464 1.00 1.96 C ATOM 521 CG LYS A 39 -1.248 18.086 -11.381 1.00 2.43 C ATOM 522 CD LYS A 39 -1.211 17.697 -12.861 1.00 2.56 C ATOM 523 CE LYS A 39 -1.332 18.972 -13.705 1.00 3.12 C ATOM 524 NZ LYS A 39 -1.264 18.691 -15.156 1.00 3.31 N ATOM 0 H LYS A 39 -0.288 15.427 -8.571 1.00 1.60 H new ATOM 0 HA LYS A 39 -0.483 18.280 -8.961 1.00 1.83 H new ATOM 0 HB2 LYS A 39 -0.088 16.392 -10.700 1.00 1.96 H new ATOM 0 HB3 LYS A 39 -1.821 16.142 -10.625 1.00 1.96 H new ATOM 0 HG2 LYS A 39 -2.208 18.549 -11.152 1.00 2.43 H new ATOM 0 HG3 LYS A 39 -0.479 18.832 -11.183 1.00 2.43 H new ATOM 0 HD2 LYS A 39 -0.281 17.177 -13.092 1.00 2.56 H new ATOM 0 HD3 LYS A 39 -2.026 17.011 -13.092 1.00 2.56 H new ATOM 0 HE2 LYS A 39 -2.275 19.468 -13.477 1.00 3.12 H new ATOM 0 HE3 LYS A 39 -0.534 19.663 -13.433 1.00 3.12 H new ATOM 0 HZ1 LYS A 39 -1.350 19.581 -15.686 1.00 3.31 H new ATOM 0 HZ2 LYS A 39 -0.354 18.241 -15.380 1.00 3.31 H new ATOM 0 HZ3 LYS A 39 -2.041 18.053 -15.423 1.00 3.31 H new ATOM 538 N LYS A 40 -3.084 16.594 -7.918 1.00 1.53 N ATOM 539 CA LYS A 40 -4.468 16.680 -7.469 1.00 1.44 C ATOM 540 C LYS A 40 -4.592 16.887 -5.965 1.00 1.37 C ATOM 541 O LYS A 40 -5.610 17.379 -5.491 1.00 1.46 O ATOM 542 CB LYS A 40 -5.163 15.400 -7.911 1.00 1.24 C ATOM 543 CG LYS A 40 -6.685 15.503 -7.738 1.00 1.28 C ATOM 544 CD LYS A 40 -7.435 14.951 -8.947 1.00 1.14 C ATOM 545 CE LYS A 40 -7.113 15.843 -10.151 1.00 1.38 C ATOM 546 NZ LYS A 40 -8.266 15.968 -11.069 1.00 1.80 N ATOM 0 H LYS A 40 -2.654 15.684 -7.756 1.00 1.53 H new ATOM 0 HA LYS A 40 -4.940 17.556 -7.915 1.00 1.44 H new ATOM 0 HB2 LYS A 40 -4.927 15.197 -8.956 1.00 1.24 H new ATOM 0 HB3 LYS A 40 -4.785 14.559 -7.330 1.00 1.24 H new ATOM 0 HG2 LYS A 40 -6.986 14.957 -6.844 1.00 1.28 H new ATOM 0 HG3 LYS A 40 -6.963 16.546 -7.584 1.00 1.28 H new ATOM 0 HD2 LYS A 40 -7.135 13.922 -9.144 1.00 1.14 H new ATOM 0 HD3 LYS A 40 -8.508 14.940 -8.757 1.00 1.14 H new ATOM 0 HE2 LYS A 40 -6.819 16.832 -9.801 1.00 1.38 H new ATOM 0 HE3 LYS A 40 -6.262 15.430 -10.692 1.00 1.38 H new ATOM 0 HZ1 LYS A 40 -8.007 16.579 -11.870 1.00 1.80 H new ATOM 0 HZ2 LYS A 40 -8.531 15.027 -11.423 1.00 1.80 H new ATOM 0 HZ3 LYS A 40 -9.071 16.386 -10.560 1.00 1.80 H new ATOM 560 N PHE A 41 -3.565 16.490 -5.224 1.00 1.32 N ATOM 561 CA PHE A 41 -3.519 16.544 -3.767 1.00 1.41 C ATOM 562 C PHE A 41 -2.119 16.980 -3.321 1.00 1.44 C ATOM 563 O PHE A 41 -1.438 16.242 -2.609 1.00 1.50 O ATOM 564 CB PHE A 41 -3.849 15.173 -3.136 1.00 1.37 C ATOM 565 CG PHE A 41 -5.082 14.441 -3.625 1.00 0.93 C ATOM 566 CD1 PHE A 41 -5.018 13.744 -4.841 1.00 0.70 C ATOM 567 CD2 PHE A 41 -6.249 14.359 -2.843 1.00 1.77 C ATOM 568 CE1 PHE A 41 -6.117 12.998 -5.294 1.00 0.74 C ATOM 569 CE2 PHE A 41 -7.358 13.625 -3.303 1.00 2.33 C ATOM 570 CZ PHE A 41 -7.292 12.942 -4.529 1.00 1.79 C ATOM 0 H PHE A 41 -2.712 16.109 -5.634 1.00 1.32 H new ATOM 0 HA PHE A 41 -4.268 17.261 -3.431 1.00 1.41 H new ATOM 0 HB2 PHE A 41 -2.990 14.520 -3.290 1.00 1.37 H new ATOM 0 HB3 PHE A 41 -3.951 15.317 -2.060 1.00 1.37 H new ATOM 0 HD1 PHE A 41 -4.116 13.782 -5.433 1.00 0.70 H new ATOM 0 HD2 PHE A 41 -6.294 14.861 -1.888 1.00 1.77 H new ATOM 0 HE1 PHE A 41 -6.058 12.466 -6.232 1.00 0.74 H new ATOM 0 HE2 PHE A 41 -8.261 13.587 -2.713 1.00 2.33 H new ATOM 0 HZ PHE A 41 -8.142 12.376 -4.881 1.00 1.79 H new ATOM 580 N PRO A 42 -1.670 18.189 -3.674 1.00 1.51 N ATOM 581 CA PRO A 42 -0.338 18.654 -3.314 1.00 1.62 C ATOM 582 C PRO A 42 -0.162 18.806 -1.801 1.00 1.62 C ATOM 583 O PRO A 42 0.957 18.926 -1.321 1.00 1.70 O ATOM 584 CB PRO A 42 -0.143 19.976 -4.065 1.00 1.86 C ATOM 585 CG PRO A 42 -1.567 20.463 -4.345 1.00 1.86 C ATOM 586 CD PRO A 42 -2.385 19.179 -4.460 1.00 1.60 C ATOM 0 HA PRO A 42 0.423 17.927 -3.598 1.00 1.62 H new ATOM 0 HB2 PRO A 42 0.413 20.696 -3.465 1.00 1.86 H new ATOM 0 HB3 PRO A 42 0.417 19.830 -4.989 1.00 1.86 H new ATOM 0 HG2 PRO A 42 -1.936 21.100 -3.541 1.00 1.86 H new ATOM 0 HG3 PRO A 42 -1.614 21.049 -5.263 1.00 1.86 H new ATOM 0 HD2 PRO A 42 -3.397 19.324 -4.082 1.00 1.60 H new ATOM 0 HD3 PRO A 42 -2.475 18.864 -5.499 1.00 1.60 H new ATOM 594 N GLU A 43 -1.231 18.768 -1.010 1.00 1.62 N ATOM 595 CA GLU A 43 -1.125 18.891 0.429 1.00 1.67 C ATOM 596 C GLU A 43 -0.671 17.564 1.030 1.00 1.58 C ATOM 597 O GLU A 43 -0.147 17.522 2.140 1.00 1.61 O ATOM 598 CB GLU A 43 -2.479 19.303 1.000 1.00 1.83 C ATOM 599 CG GLU A 43 -2.864 20.731 0.595 1.00 1.96 C ATOM 600 CD GLU A 43 -3.293 20.844 -0.871 1.00 2.30 C ATOM 601 OE1 GLU A 43 -3.108 21.942 -1.436 1.00 3.16 O ATOM 602 OE2 GLU A 43 -3.793 19.825 -1.405 1.00 3.14 O ATOM 0 H GLU A 43 -2.185 18.652 -1.351 1.00 1.62 H new ATOM 0 HA GLU A 43 -0.387 19.653 0.680 1.00 1.67 H new ATOM 0 HB2 GLU A 43 -3.245 18.609 0.653 1.00 1.83 H new ATOM 0 HB3 GLU A 43 -2.451 19.230 2.087 1.00 1.83 H new ATOM 0 HG2 GLU A 43 -3.677 21.077 1.233 1.00 1.96 H new ATOM 0 HG3 GLU A 43 -2.017 21.393 0.772 1.00 1.96 H new ATOM 609 N SER A 44 -0.858 16.478 0.283 1.00 1.55 N ATOM 610 CA SER A 44 -0.506 15.137 0.665 1.00 1.51 C ATOM 611 C SER A 44 0.602 14.655 -0.266 1.00 1.44 C ATOM 612 O SER A 44 0.559 13.525 -0.740 1.00 1.99 O ATOM 613 CB SER A 44 -1.770 14.295 0.557 1.00 2.10 C ATOM 614 OG SER A 44 -2.769 14.861 1.392 1.00 3.84 O ATOM 0 H SER A 44 -1.279 16.525 -0.645 1.00 1.55 H new ATOM 0 HA SER A 44 -0.130 15.069 1.686 1.00 1.51 H new ATOM 0 HB2 SER A 44 -2.115 14.263 -0.476 1.00 2.10 H new ATOM 0 HB3 SER A 44 -1.566 13.267 0.856 1.00 2.10 H new ATOM 0 HG SER A 44 -3.599 14.968 0.882 1.00 3.84 H new ATOM 620 N PHE A 45 1.597 15.529 -0.485 1.00 1.42 N ATOM 621 CA PHE A 45 2.887 15.267 -1.117 1.00 1.47 C ATOM 622 C PHE A 45 3.295 13.811 -1.089 1.00 2.34 C ATOM 623 O PHE A 45 3.569 13.244 -2.143 1.00 4.02 O ATOM 624 CB PHE A 45 3.955 16.154 -0.464 1.00 2.78 C ATOM 625 CG PHE A 45 3.928 17.630 -0.819 1.00 3.88 C ATOM 626 CD1 PHE A 45 3.675 18.051 -2.139 1.00 3.91 C ATOM 627 CD2 PHE A 45 4.220 18.590 0.168 1.00 5.52 C ATOM 628 CE1 PHE A 45 3.715 19.416 -2.470 1.00 5.58 C ATOM 629 CE2 PHE A 45 4.253 19.957 -0.161 1.00 6.96 C ATOM 630 CZ PHE A 45 4.003 20.370 -1.481 1.00 6.99 C ATOM 0 H PHE A 45 1.509 16.505 -0.203 1.00 1.42 H new ATOM 0 HA PHE A 45 2.788 15.514 -2.174 1.00 1.47 H new ATOM 0 HB2 PHE A 45 3.858 16.063 0.618 1.00 2.78 H new ATOM 0 HB3 PHE A 45 4.935 15.758 -0.730 1.00 2.78 H new ATOM 0 HD1 PHE A 45 3.449 17.320 -2.901 1.00 3.91 H new ATOM 0 HD2 PHE A 45 4.419 18.276 1.182 1.00 5.52 H new ATOM 0 HE1 PHE A 45 3.524 19.731 -3.485 1.00 5.58 H new ATOM 0 HE2 PHE A 45 4.471 20.690 0.602 1.00 6.96 H new ATOM 0 HZ PHE A 45 4.032 21.420 -1.734 1.00 6.99 H new ATOM 640 N ASP A 46 3.446 13.243 0.104 1.00 2.09 N ATOM 641 CA ASP A 46 3.917 11.886 0.322 1.00 3.85 C ATOM 642 C ASP A 46 5.404 11.732 -0.024 1.00 3.59 C ATOM 643 O ASP A 46 6.022 10.750 0.383 1.00 4.97 O ATOM 644 CB ASP A 46 3.028 10.880 -0.432 1.00 5.27 C ATOM 645 CG ASP A 46 2.112 10.060 0.462 1.00 6.81 C ATOM 646 OD1 ASP A 46 1.646 9.016 -0.046 1.00 8.68 O ATOM 647 OD2 ASP A 46 1.852 10.484 1.609 1.00 6.42 O ATOM 0 H ASP A 46 3.236 13.735 0.973 1.00 2.09 H new ATOM 0 HA ASP A 46 3.834 11.664 1.386 1.00 3.85 H new ATOM 0 HB2 ASP A 46 2.419 11.422 -1.156 1.00 5.27 H new ATOM 0 HB3 ASP A 46 3.667 10.201 -0.997 1.00 5.27 H new ATOM 652 N LEU A 47 6.014 12.695 -0.730 1.00 2.19 N ATOM 653 CA LEU A 47 7.443 12.690 -1.027 1.00 1.92 C ATOM 654 C LEU A 47 8.257 13.241 0.151 1.00 1.89 C ATOM 655 O LEU A 47 9.065 14.154 -0.007 1.00 2.16 O ATOM 656 CB LEU A 47 7.719 13.447 -2.337 1.00 1.92 C ATOM 657 CG LEU A 47 7.406 14.956 -2.286 1.00 1.64 C ATOM 658 CD1 LEU A 47 8.628 15.779 -2.704 1.00 2.11 C ATOM 659 CD2 LEU A 47 6.262 15.313 -3.240 1.00 2.59 C ATOM 0 H LEU A 47 5.521 13.502 -1.111 1.00 2.19 H new ATOM 0 HA LEU A 47 7.767 11.659 -1.171 1.00 1.92 H new ATOM 0 HB2 LEU A 47 8.768 13.316 -2.603 1.00 1.92 H new ATOM 0 HB3 LEU A 47 7.129 12.994 -3.134 1.00 1.92 H new ATOM 0 HG LEU A 47 7.125 15.186 -1.258 1.00 1.64 H new ATOM 0 HD11 LEU A 47 8.384 16.840 -2.661 1.00 2.11 H new ATOM 0 HD12 LEU A 47 9.457 15.569 -2.028 1.00 2.11 H new ATOM 0 HD13 LEU A 47 8.914 15.514 -3.722 1.00 2.11 H new ATOM 0 HD21 LEU A 47 6.062 16.383 -3.184 1.00 2.59 H new ATOM 0 HD22 LEU A 47 6.543 15.049 -4.260 1.00 2.59 H new ATOM 0 HD23 LEU A 47 5.366 14.761 -2.956 1.00 2.59 H new ATOM 671 N GLN A 48 8.081 12.664 1.339 1.00 1.87 N ATOM 672 CA GLN A 48 8.894 12.973 2.509 1.00 1.84 C ATOM 673 C GLN A 48 9.622 11.698 2.924 1.00 1.68 C ATOM 674 O GLN A 48 9.118 10.614 2.653 1.00 1.60 O ATOM 675 CB GLN A 48 8.013 13.497 3.651 1.00 1.93 C ATOM 676 CG GLN A 48 7.419 14.878 3.346 1.00 2.83 C ATOM 677 CD GLN A 48 6.021 14.795 2.738 1.00 4.79 C ATOM 678 OE1 GLN A 48 5.843 14.736 1.529 1.00 6.50 O ATOM 679 NE2 GLN A 48 4.990 14.803 3.575 1.00 5.19 N ATOM 0 H GLN A 48 7.362 11.962 1.515 1.00 1.87 H new ATOM 0 HA GLN A 48 9.617 13.753 2.273 1.00 1.84 H new ATOM 0 HB2 GLN A 48 7.205 12.790 3.836 1.00 1.93 H new ATOM 0 HB3 GLN A 48 8.604 13.553 4.565 1.00 1.93 H new ATOM 0 HG2 GLN A 48 7.377 15.462 4.265 1.00 2.83 H new ATOM 0 HG3 GLN A 48 8.078 15.410 2.660 1.00 2.83 H new ATOM 0 HE21 GLN A 48 5.150 14.852 4.581 1.00 5.19 H new ATOM 0 HE22 GLN A 48 4.038 14.760 3.212 1.00 5.19 H new ATOM 688 N PRO A 49 10.792 11.789 3.573 1.00 1.71 N ATOM 689 CA PRO A 49 11.541 10.627 4.031 1.00 1.64 C ATOM 690 C PRO A 49 10.839 9.950 5.211 1.00 1.46 C ATOM 691 O PRO A 49 10.220 10.620 6.037 1.00 1.67 O ATOM 692 CB PRO A 49 12.916 11.174 4.423 1.00 1.79 C ATOM 693 CG PRO A 49 12.620 12.616 4.834 1.00 1.86 C ATOM 694 CD PRO A 49 11.498 13.021 3.881 1.00 1.85 C ATOM 0 HA PRO A 49 11.622 9.858 3.263 1.00 1.64 H new ATOM 0 HB2 PRO A 49 13.356 10.605 5.242 1.00 1.79 H new ATOM 0 HB3 PRO A 49 13.618 11.130 3.591 1.00 1.79 H new ATOM 0 HG2 PRO A 49 12.308 12.683 5.876 1.00 1.86 H new ATOM 0 HG3 PRO A 49 13.495 13.256 4.722 1.00 1.86 H new ATOM 0 HD2 PRO A 49 10.833 13.750 4.344 1.00 1.85 H new ATOM 0 HD3 PRO A 49 11.897 13.482 2.977 1.00 1.85 H new ATOM 702 N ILE A 50 10.959 8.621 5.310 1.00 1.15 N ATOM 703 CA ILE A 50 10.412 7.808 6.384 1.00 1.00 C ATOM 704 C ILE A 50 11.512 6.851 6.833 1.00 0.99 C ATOM 705 O ILE A 50 12.547 6.743 6.176 1.00 1.01 O ATOM 706 CB ILE A 50 9.138 7.089 5.893 1.00 0.95 C ATOM 707 CG1 ILE A 50 8.034 8.125 5.663 1.00 1.03 C ATOM 708 CG2 ILE A 50 8.593 6.027 6.842 1.00 1.05 C ATOM 709 CD1 ILE A 50 7.937 8.403 4.169 1.00 1.90 C ATOM 0 H ILE A 50 11.460 8.069 4.614 1.00 1.15 H new ATOM 0 HA ILE A 50 10.107 8.408 7.241 1.00 1.00 H new ATOM 0 HB ILE A 50 9.430 6.573 4.979 1.00 0.95 H new ATOM 0 HG12 ILE A 50 7.082 7.754 6.042 1.00 1.03 H new ATOM 0 HG13 ILE A 50 8.257 9.044 6.206 1.00 1.03 H new ATOM 0 HG21 ILE A 50 7.698 5.578 6.411 1.00 1.05 H new ATOM 0 HG22 ILE A 50 9.347 5.256 6.997 1.00 1.05 H new ATOM 0 HG23 ILE A 50 8.343 6.487 7.798 1.00 1.05 H new ATOM 0 HD11 ILE A 50 7.155 9.140 3.986 1.00 1.90 H new ATOM 0 HD12 ILE A 50 8.890 8.789 3.808 1.00 1.90 H new ATOM 0 HD13 ILE A 50 7.696 7.480 3.642 1.00 1.90 H new ATOM 721 N GLU A 51 11.302 6.195 7.973 1.00 1.02 N ATOM 722 CA GLU A 51 12.234 5.237 8.524 1.00 1.07 C ATOM 723 C GLU A 51 12.085 3.899 7.787 1.00 0.97 C ATOM 724 O GLU A 51 11.586 3.841 6.662 1.00 1.32 O ATOM 725 CB GLU A 51 11.938 5.135 10.029 1.00 1.13 C ATOM 726 CG GLU A 51 13.166 4.722 10.852 1.00 1.53 C ATOM 727 CD GLU A 51 13.268 5.555 12.131 1.00 1.81 C ATOM 728 OE1 GLU A 51 13.089 4.968 13.219 1.00 2.40 O ATOM 729 OE2 GLU A 51 13.500 6.777 11.993 1.00 2.53 O ATOM 0 H GLU A 51 10.465 6.322 8.541 1.00 1.02 H new ATOM 0 HA GLU A 51 13.272 5.543 8.393 1.00 1.07 H new ATOM 0 HB2 GLU A 51 11.573 6.097 10.388 1.00 1.13 H new ATOM 0 HB3 GLU A 51 11.139 4.411 10.189 1.00 1.13 H new ATOM 0 HG2 GLU A 51 13.100 3.664 11.106 1.00 1.53 H new ATOM 0 HG3 GLU A 51 14.069 4.851 10.256 1.00 1.53 H new ATOM 736 N VAL A 52 12.504 2.805 8.419 1.00 0.63 N ATOM 737 CA VAL A 52 12.549 1.490 7.812 1.00 0.60 C ATOM 738 C VAL A 52 11.815 0.551 8.759 1.00 0.55 C ATOM 739 O VAL A 52 12.367 0.098 9.754 1.00 0.64 O ATOM 740 CB VAL A 52 14.017 1.091 7.523 1.00 0.66 C ATOM 741 CG1 VAL A 52 14.107 0.066 6.387 1.00 0.96 C ATOM 742 CG2 VAL A 52 14.870 2.306 7.125 1.00 0.96 C ATOM 0 H VAL A 52 12.827 2.815 9.387 1.00 0.63 H new ATOM 0 HA VAL A 52 12.055 1.453 6.841 1.00 0.60 H new ATOM 0 HB VAL A 52 14.397 0.659 8.449 1.00 0.66 H new ATOM 0 HG11 VAL A 52 15.151 -0.191 6.211 1.00 0.96 H new ATOM 0 HG12 VAL A 52 13.554 -0.832 6.662 1.00 0.96 H new ATOM 0 HG13 VAL A 52 13.680 0.491 5.479 1.00 0.96 H new ATOM 0 HG21 VAL A 52 15.893 1.984 6.931 1.00 0.96 H new ATOM 0 HG22 VAL A 52 14.456 2.762 6.226 1.00 0.96 H new ATOM 0 HG23 VAL A 52 14.867 3.034 7.936 1.00 0.96 H new ATOM 752 N GLY A 53 10.528 0.325 8.491 1.00 0.52 N ATOM 753 CA GLY A 53 9.633 -0.462 9.325 1.00 0.62 C ATOM 754 C GLY A 53 8.382 0.331 9.691 1.00 0.61 C ATOM 755 O GLY A 53 7.346 -0.239 10.014 1.00 0.95 O ATOM 0 H GLY A 53 10.070 0.699 7.660 1.00 0.52 H new ATOM 0 HA2 GLY A 53 9.348 -1.373 8.799 1.00 0.62 H new ATOM 0 HA3 GLY A 53 10.152 -0.767 10.233 1.00 0.62 H new ATOM 759 N LYS A 54 8.449 1.664 9.659 1.00 0.46 N ATOM 760 CA LYS A 54 7.394 2.473 10.256 1.00 0.48 C ATOM 761 C LYS A 54 6.691 3.299 9.210 1.00 0.52 C ATOM 762 O LYS A 54 7.329 3.958 8.396 1.00 0.62 O ATOM 763 CB LYS A 54 7.966 3.351 11.367 1.00 0.54 C ATOM 764 CG LYS A 54 8.496 2.518 12.539 1.00 2.33 C ATOM 765 CD LYS A 54 7.448 1.537 13.104 1.00 2.84 C ATOM 766 CE LYS A 54 7.942 0.762 14.329 1.00 4.41 C ATOM 767 NZ LYS A 54 7.049 -0.383 14.656 1.00 5.44 N ATOM 0 H LYS A 54 9.209 2.195 9.234 1.00 0.46 H new ATOM 0 HA LYS A 54 6.653 1.807 10.697 1.00 0.48 H new ATOM 0 HB2 LYS A 54 8.771 3.966 10.965 1.00 0.54 H new ATOM 0 HB3 LYS A 54 7.194 4.032 11.725 1.00 0.54 H new ATOM 0 HG2 LYS A 54 9.372 1.957 12.212 1.00 2.33 H new ATOM 0 HG3 LYS A 54 8.825 3.187 13.334 1.00 2.33 H new ATOM 0 HD2 LYS A 54 6.549 2.092 13.372 1.00 2.84 H new ATOM 0 HD3 LYS A 54 7.166 0.829 12.325 1.00 2.84 H new ATOM 0 HE2 LYS A 54 8.951 0.394 14.144 1.00 4.41 H new ATOM 0 HE3 LYS A 54 8.000 1.434 15.185 1.00 4.41 H new ATOM 0 HZ1 LYS A 54 7.508 -0.989 15.366 1.00 5.44 H new ATOM 0 HZ2 LYS A 54 6.150 -0.024 15.036 1.00 5.44 H new ATOM 0 HZ3 LYS A 54 6.865 -0.936 13.795 1.00 5.44 H new ATOM 781 N ALA A 55 5.365 3.275 9.261 1.00 0.49 N ATOM 782 CA ALA A 55 4.526 4.015 8.336 1.00 0.42 C ATOM 783 C ALA A 55 4.120 5.331 8.989 1.00 0.40 C ATOM 784 O ALA A 55 3.993 5.412 10.209 1.00 0.49 O ATOM 785 CB ALA A 55 3.285 3.184 7.994 1.00 0.44 C ATOM 0 H ALA A 55 4.841 2.737 9.951 1.00 0.49 H new ATOM 0 HA ALA A 55 5.071 4.221 7.415 1.00 0.42 H new ATOM 0 HB1 ALA A 55 2.655 3.740 7.299 1.00 0.44 H new ATOM 0 HB2 ALA A 55 3.592 2.245 7.534 1.00 0.44 H new ATOM 0 HB3 ALA A 55 2.724 2.976 8.905 1.00 0.44 H new ATOM 791 N ARG A 56 3.900 6.365 8.178 1.00 0.33 N ATOM 792 CA ARG A 56 3.447 7.667 8.630 1.00 0.34 C ATOM 793 C ARG A 56 2.252 8.083 7.778 1.00 0.29 C ATOM 794 O ARG A 56 2.221 7.850 6.582 1.00 0.45 O ATOM 795 CB ARG A 56 4.614 8.654 8.523 1.00 0.51 C ATOM 796 CG ARG A 56 5.411 8.698 9.829 1.00 1.15 C ATOM 797 CD ARG A 56 6.764 9.376 9.595 1.00 2.00 C ATOM 798 NE ARG A 56 7.375 9.811 10.859 1.00 2.54 N ATOM 799 CZ ARG A 56 7.127 10.973 11.479 1.00 2.68 C ATOM 800 NH1 ARG A 56 7.738 11.263 12.628 1.00 3.24 N ATOM 801 NH2 ARG A 56 6.264 11.844 10.952 1.00 3.24 N ATOM 0 H ARG A 56 4.036 6.313 7.168 1.00 0.33 H new ATOM 0 HA ARG A 56 3.125 7.645 9.671 1.00 0.34 H new ATOM 0 HB2 ARG A 56 5.269 8.362 7.702 1.00 0.51 H new ATOM 0 HB3 ARG A 56 4.234 9.649 8.290 1.00 0.51 H new ATOM 0 HG2 ARG A 56 4.849 9.241 10.589 1.00 1.15 H new ATOM 0 HG3 ARG A 56 5.562 7.687 10.206 1.00 1.15 H new ATOM 0 HD2 ARG A 56 7.435 8.685 9.084 1.00 2.00 H new ATOM 0 HD3 ARG A 56 6.632 10.236 8.938 1.00 2.00 H new ATOM 0 HE ARG A 56 8.042 9.177 11.300 1.00 2.54 H new ATOM 0 HH11 ARG A 56 8.396 10.600 13.037 1.00 3.24 H new ATOM 0 HH12 ARG A 56 7.547 12.148 13.098 1.00 3.24 H new ATOM 0 HH21 ARG A 56 5.791 11.626 10.075 1.00 3.24 H new ATOM 0 HH22 ARG A 56 6.077 12.728 11.426 1.00 3.24 H new ATOM 815 N LEU A 57 1.249 8.673 8.410 1.00 0.35 N ATOM 816 CA LEU A 57 -0.001 9.128 7.826 1.00 0.44 C ATOM 817 C LEU A 57 0.000 10.649 7.710 1.00 0.82 C ATOM 818 O LEU A 57 0.363 11.344 8.662 1.00 1.23 O ATOM 819 CB LEU A 57 -1.201 8.647 8.663 1.00 0.75 C ATOM 820 CG LEU A 57 -1.098 8.862 10.184 1.00 1.30 C ATOM 821 CD1 LEU A 57 -2.476 9.203 10.758 1.00 2.24 C ATOM 822 CD2 LEU A 57 -0.594 7.596 10.885 1.00 2.14 C ATOM 0 H LEU A 57 1.291 8.859 9.412 1.00 0.35 H new ATOM 0 HA LEU A 57 -0.095 8.701 6.827 1.00 0.44 H new ATOM 0 HB2 LEU A 57 -2.095 9.157 8.305 1.00 0.75 H new ATOM 0 HB3 LEU A 57 -1.345 7.583 8.476 1.00 0.75 H new ATOM 0 HG LEU A 57 -0.397 9.679 10.355 1.00 1.30 H new ATOM 0 HD11 LEU A 57 -2.395 9.354 11.834 1.00 2.24 H new ATOM 0 HD12 LEU A 57 -2.849 10.115 10.291 1.00 2.24 H new ATOM 0 HD13 LEU A 57 -3.167 8.384 10.557 1.00 2.24 H new ATOM 0 HD21 LEU A 57 -0.530 7.775 11.958 1.00 2.14 H new ATOM 0 HD22 LEU A 57 -1.285 6.775 10.694 1.00 2.14 H new ATOM 0 HD23 LEU A 57 0.393 7.336 10.502 1.00 2.14 H new ATOM 834 N VAL A 58 -0.458 11.172 6.572 1.00 0.85 N ATOM 835 CA VAL A 58 -0.498 12.592 6.282 1.00 1.24 C ATOM 836 C VAL A 58 -1.960 13.005 6.180 1.00 1.32 C ATOM 837 O VAL A 58 -2.819 12.223 5.775 1.00 1.43 O ATOM 838 CB VAL A 58 0.305 12.909 5.008 1.00 1.40 C ATOM 839 CG1 VAL A 58 1.731 12.392 5.178 1.00 1.69 C ATOM 840 CG2 VAL A 58 -0.270 12.289 3.731 1.00 1.48 C ATOM 0 H VAL A 58 -0.820 10.598 5.811 1.00 0.85 H new ATOM 0 HA VAL A 58 -0.027 13.168 7.079 1.00 1.24 H new ATOM 0 HB VAL A 58 0.263 13.992 4.888 1.00 1.40 H new ATOM 0 HG11 VAL A 58 2.307 12.612 4.280 1.00 1.69 H new ATOM 0 HG12 VAL A 58 2.195 12.879 6.035 1.00 1.69 H new ATOM 0 HG13 VAL A 58 1.710 11.314 5.341 1.00 1.69 H new ATOM 0 HG21 VAL A 58 0.355 12.561 2.881 1.00 1.48 H new ATOM 0 HG22 VAL A 58 -0.293 11.204 3.832 1.00 1.48 H new ATOM 0 HG23 VAL A 58 -1.282 12.660 3.570 1.00 1.48 H new ATOM 850 N LYS A 59 -2.275 14.229 6.586 1.00 1.48 N ATOM 851 CA LYS A 59 -3.644 14.706 6.560 1.00 1.67 C ATOM 852 C LYS A 59 -3.633 16.035 5.828 1.00 1.72 C ATOM 853 O LYS A 59 -3.477 17.083 6.446 1.00 2.38 O ATOM 854 CB LYS A 59 -4.254 14.735 7.973 1.00 2.51 C ATOM 855 CG LYS A 59 -3.436 15.454 9.062 1.00 2.36 C ATOM 856 CD LYS A 59 -2.874 14.509 10.136 1.00 3.39 C ATOM 857 CE LYS A 59 -1.694 13.691 9.601 1.00 4.55 C ATOM 858 NZ LYS A 59 -1.083 12.833 10.638 1.00 6.03 N ATOM 0 H LYS A 59 -1.598 14.906 6.937 1.00 1.48 H new ATOM 0 HA LYS A 59 -4.307 14.031 6.019 1.00 1.67 H new ATOM 0 HB2 LYS A 59 -5.233 15.211 7.912 1.00 2.51 H new ATOM 0 HB3 LYS A 59 -4.419 13.707 8.294 1.00 2.51 H new ATOM 0 HG2 LYS A 59 -2.610 15.987 8.591 1.00 2.36 H new ATOM 0 HG3 LYS A 59 -4.066 16.203 9.543 1.00 2.36 H new ATOM 0 HD2 LYS A 59 -2.553 15.089 11.001 1.00 3.39 H new ATOM 0 HD3 LYS A 59 -3.660 13.836 10.477 1.00 3.39 H new ATOM 0 HE2 LYS A 59 -2.033 13.069 8.773 1.00 4.55 H new ATOM 0 HE3 LYS A 59 -0.938 14.368 9.202 1.00 4.55 H new ATOM 0 HZ1 LYS A 59 -0.471 12.124 10.186 1.00 6.03 H new ATOM 0 HZ2 LYS A 59 -0.516 13.419 11.283 1.00 6.03 H new ATOM 0 HZ3 LYS A 59 -1.832 12.351 11.176 1.00 6.03 H new ATOM 872 N GLY A 60 -3.720 15.978 4.498 1.00 1.21 N ATOM 873 CA GLY A 60 -3.718 17.158 3.672 1.00 1.43 C ATOM 874 C GLY A 60 -5.161 17.566 3.445 1.00 1.21 C ATOM 875 O GLY A 60 -6.076 16.748 3.523 1.00 1.04 O ATOM 0 H GLY A 60 -3.793 15.105 3.975 1.00 1.21 H new ATOM 0 HA2 GLY A 60 -3.165 17.963 4.156 1.00 1.43 H new ATOM 0 HA3 GLY A 60 -3.223 16.958 2.722 1.00 1.43 H new ATOM 879 N ALA A 61 -5.352 18.848 3.158 1.00 1.38 N ATOM 880 CA ALA A 61 -6.671 19.438 2.982 1.00 1.43 C ATOM 881 C ALA A 61 -7.448 18.753 1.863 1.00 1.16 C ATOM 882 O ALA A 61 -8.658 18.581 1.970 1.00 1.24 O ATOM 883 CB ALA A 61 -6.551 20.944 2.733 1.00 1.71 C ATOM 0 H ALA A 61 -4.587 19.513 3.040 1.00 1.38 H new ATOM 0 HA ALA A 61 -7.235 19.285 3.902 1.00 1.43 H new ATOM 0 HB1 ALA A 61 -7.545 21.372 2.603 1.00 1.71 H new ATOM 0 HB2 ALA A 61 -6.061 21.416 3.585 1.00 1.71 H new ATOM 0 HB3 ALA A 61 -5.961 21.118 1.833 1.00 1.71 H new ATOM 889 N ALA A 62 -6.760 18.365 0.790 1.00 0.97 N ATOM 890 CA ALA A 62 -7.406 17.712 -0.336 1.00 0.82 C ATOM 891 C ALA A 62 -7.993 16.362 0.095 1.00 0.77 C ATOM 892 O ALA A 62 -9.158 16.082 -0.179 1.00 0.85 O ATOM 893 CB ALA A 62 -6.398 17.568 -1.479 1.00 0.79 C ATOM 0 H ALA A 62 -5.754 18.494 0.682 1.00 0.97 H new ATOM 0 HA ALA A 62 -8.238 18.318 -0.693 1.00 0.82 H new ATOM 0 HB1 ALA A 62 -6.877 17.079 -2.327 1.00 0.79 H new ATOM 0 HB2 ALA A 62 -6.047 18.555 -1.781 1.00 0.79 H new ATOM 0 HB3 ALA A 62 -5.552 16.968 -1.144 1.00 0.79 H new ATOM 899 N LYS A 63 -7.199 15.514 0.761 1.00 0.69 N ATOM 900 CA LYS A 63 -7.676 14.284 1.393 1.00 0.67 C ATOM 901 C LYS A 63 -6.571 13.769 2.318 1.00 0.61 C ATOM 902 O LYS A 63 -5.414 14.168 2.184 1.00 0.62 O ATOM 903 CB LYS A 63 -8.043 13.236 0.320 1.00 0.70 C ATOM 904 CG LYS A 63 -8.933 12.078 0.802 1.00 1.46 C ATOM 905 CD LYS A 63 -10.359 12.541 1.127 1.00 2.17 C ATOM 906 CE LYS A 63 -11.200 11.337 1.566 1.00 2.98 C ATOM 907 NZ LYS A 63 -12.634 11.680 1.687 1.00 3.41 N ATOM 0 H LYS A 63 -6.197 15.667 0.876 1.00 0.69 H new ATOM 0 HA LYS A 63 -8.578 14.478 1.974 1.00 0.67 H new ATOM 0 HB2 LYS A 63 -8.550 13.744 -0.500 1.00 0.70 H new ATOM 0 HB3 LYS A 63 -7.121 12.818 -0.085 1.00 0.70 H new ATOM 0 HG2 LYS A 63 -8.970 11.306 0.034 1.00 1.46 H new ATOM 0 HG3 LYS A 63 -8.489 11.625 1.688 1.00 1.46 H new ATOM 0 HD2 LYS A 63 -10.338 13.291 1.918 1.00 2.17 H new ATOM 0 HD3 LYS A 63 -10.808 13.012 0.253 1.00 2.17 H new ATOM 0 HE2 LYS A 63 -11.080 10.528 0.845 1.00 2.98 H new ATOM 0 HE3 LYS A 63 -10.833 10.968 2.524 1.00 2.98 H new ATOM 0 HZ1 LYS A 63 -13.168 10.839 1.986 1.00 3.41 H new ATOM 0 HZ2 LYS A 63 -12.752 12.434 2.393 1.00 3.41 H new ATOM 0 HZ3 LYS A 63 -12.991 12.008 0.767 1.00 3.41 H new ATOM 921 N HIS A 64 -6.910 12.871 3.244 1.00 0.66 N ATOM 922 CA HIS A 64 -5.920 12.145 4.026 1.00 0.63 C ATOM 923 C HIS A 64 -5.290 11.061 3.153 1.00 0.56 C ATOM 924 O HIS A 64 -5.957 10.500 2.287 1.00 0.73 O ATOM 925 CB HIS A 64 -6.585 11.498 5.247 1.00 0.72 C ATOM 926 CG HIS A 64 -7.132 12.465 6.270 1.00 0.87 C ATOM 927 ND1 HIS A 64 -7.598 12.110 7.516 1.00 1.15 N ATOM 928 CD2 HIS A 64 -7.261 13.826 6.151 1.00 0.99 C ATOM 929 CE1 HIS A 64 -8.002 13.234 8.133 1.00 1.30 C ATOM 930 NE2 HIS A 64 -7.813 14.302 7.343 1.00 1.17 N ATOM 0 H HIS A 64 -7.875 12.630 3.469 1.00 0.66 H new ATOM 0 HA HIS A 64 -5.152 12.838 4.368 1.00 0.63 H new ATOM 0 HB2 HIS A 64 -7.399 10.860 4.902 1.00 0.72 H new ATOM 0 HB3 HIS A 64 -5.858 10.850 5.736 1.00 0.72 H new ATOM 0 HD2 HIS A 64 -6.986 14.421 5.292 1.00 0.99 H new ATOM 0 HE1 HIS A 64 -8.421 13.272 9.128 1.00 1.30 H new ATOM 0 HE2 HIS A 64 -8.030 15.273 7.569 1.00 1.17 H new ATOM 938 N ILE A 65 -4.014 10.764 3.395 1.00 0.48 N ATOM 939 CA ILE A 65 -3.238 9.751 2.694 1.00 0.39 C ATOM 940 C ILE A 65 -2.346 9.084 3.731 1.00 0.35 C ATOM 941 O ILE A 65 -2.111 9.647 4.792 1.00 0.46 O ATOM 942 CB ILE A 65 -2.493 10.400 1.502 1.00 0.40 C ATOM 943 CG1 ILE A 65 -3.455 10.559 0.308 1.00 0.64 C ATOM 944 CG2 ILE A 65 -1.272 9.626 1.004 1.00 0.52 C ATOM 945 CD1 ILE A 65 -4.071 11.949 0.191 1.00 0.85 C ATOM 0 H ILE A 65 -3.474 11.244 4.115 1.00 0.48 H new ATOM 0 HA ILE A 65 -3.853 8.973 2.242 1.00 0.39 H new ATOM 0 HB ILE A 65 -2.136 11.356 1.886 1.00 0.40 H new ATOM 0 HG12 ILE A 65 -2.917 10.332 -0.612 1.00 0.64 H new ATOM 0 HG13 ILE A 65 -4.255 9.824 0.398 1.00 0.64 H new ATOM 0 HG21 ILE A 65 -0.819 10.160 0.169 1.00 0.52 H new ATOM 0 HG22 ILE A 65 -0.546 9.533 1.812 1.00 0.52 H new ATOM 0 HG23 ILE A 65 -1.580 8.633 0.676 1.00 0.52 H new ATOM 0 HD11 ILE A 65 -4.735 11.981 -0.673 1.00 0.85 H new ATOM 0 HD12 ILE A 65 -4.639 12.172 1.094 1.00 0.85 H new ATOM 0 HD13 ILE A 65 -3.280 12.688 0.068 1.00 0.85 H new ATOM 957 N ILE A 66 -1.888 7.863 3.476 1.00 0.31 N ATOM 958 CA ILE A 66 -1.118 7.080 4.422 1.00 0.30 C ATOM 959 C ILE A 66 0.054 6.542 3.630 1.00 0.35 C ATOM 960 O ILE A 66 -0.132 6.101 2.497 1.00 0.46 O ATOM 961 CB ILE A 66 -1.947 5.921 5.012 1.00 0.38 C ATOM 962 CG1 ILE A 66 -3.383 6.307 5.417 1.00 0.48 C ATOM 963 CG2 ILE A 66 -1.203 5.297 6.200 1.00 0.46 C ATOM 964 CD1 ILE A 66 -3.476 7.271 6.596 1.00 0.49 C ATOM 0 H ILE A 66 -2.047 7.386 2.589 1.00 0.31 H new ATOM 0 HA ILE A 66 -0.803 7.687 5.271 1.00 0.30 H new ATOM 0 HB ILE A 66 -2.058 5.191 4.210 1.00 0.38 H new ATOM 0 HG12 ILE A 66 -3.880 6.757 4.557 1.00 0.48 H new ATOM 0 HG13 ILE A 66 -3.933 5.399 5.664 1.00 0.48 H new ATOM 0 HG21 ILE A 66 -1.795 4.479 6.611 1.00 0.46 H new ATOM 0 HG22 ILE A 66 -0.239 4.914 5.865 1.00 0.46 H new ATOM 0 HG23 ILE A 66 -1.046 6.053 6.969 1.00 0.46 H new ATOM 0 HD11 ILE A 66 -4.523 7.485 6.809 1.00 0.49 H new ATOM 0 HD12 ILE A 66 -3.013 6.819 7.473 1.00 0.49 H new ATOM 0 HD13 ILE A 66 -2.959 8.198 6.350 1.00 0.49 H new ATOM 976 N HIS A 67 1.253 6.571 4.201 1.00 0.35 N ATOM 977 CA HIS A 67 2.399 6.061 3.480 1.00 0.53 C ATOM 978 C HIS A 67 3.219 5.151 4.369 1.00 0.37 C ATOM 979 O HIS A 67 3.365 5.377 5.564 1.00 0.42 O ATOM 980 CB HIS A 67 3.211 7.192 2.852 1.00 0.89 C ATOM 981 CG HIS A 67 3.706 8.225 3.826 1.00 1.79 C ATOM 982 ND1 HIS A 67 4.888 8.183 4.522 1.00 3.21 N ATOM 983 CD2 HIS A 67 3.076 9.394 4.147 1.00 3.28 C ATOM 984 CE1 HIS A 67 4.976 9.325 5.226 1.00 4.86 C ATOM 985 NE2 HIS A 67 3.895 10.090 5.045 1.00 5.08 N ATOM 0 H HIS A 67 1.448 6.932 5.135 1.00 0.35 H new ATOM 0 HA HIS A 67 2.051 5.453 2.645 1.00 0.53 H new ATOM 0 HB2 HIS A 67 4.067 6.762 2.333 1.00 0.89 H new ATOM 0 HB3 HIS A 67 2.598 7.687 2.099 1.00 0.89 H new ATOM 0 HD1 HIS A 67 5.572 7.427 4.508 1.00 3.21 H new ATOM 0 HD2 HIS A 67 2.117 9.723 3.775 1.00 3.28 H new ATOM 0 HE1 HIS A 67 5.812 9.590 5.856 1.00 4.86 H new ATOM 993 N ALA A 68 3.760 4.098 3.777 1.00 0.44 N ATOM 994 CA ALA A 68 4.511 3.081 4.478 1.00 0.57 C ATOM 995 C ALA A 68 5.801 2.812 3.724 1.00 0.40 C ATOM 996 O ALA A 68 6.028 3.327 2.628 1.00 0.45 O ATOM 997 CB ALA A 68 3.658 1.817 4.613 1.00 0.95 C ATOM 0 H ALA A 68 3.685 3.927 2.774 1.00 0.44 H new ATOM 0 HA ALA A 68 4.766 3.418 5.483 1.00 0.57 H new ATOM 0 HB1 ALA A 68 4.225 1.050 5.142 1.00 0.95 H new ATOM 0 HB2 ALA A 68 2.751 2.048 5.172 1.00 0.95 H new ATOM 0 HB3 ALA A 68 3.390 1.451 3.622 1.00 0.95 H new ATOM 1003 N VAL A 69 6.648 1.987 4.321 1.00 0.47 N ATOM 1004 CA VAL A 69 7.894 1.552 3.776 1.00 0.56 C ATOM 1005 C VAL A 69 7.764 0.051 3.608 1.00 0.60 C ATOM 1006 O VAL A 69 7.570 -0.664 4.587 1.00 0.72 O ATOM 1007 CB VAL A 69 9.006 2.009 4.737 1.00 0.74 C ATOM 1008 CG1 VAL A 69 8.641 1.927 6.220 1.00 2.08 C ATOM 1009 CG2 VAL A 69 10.302 1.245 4.479 1.00 2.90 C ATOM 0 H VAL A 69 6.462 1.592 5.243 1.00 0.47 H new ATOM 0 HA VAL A 69 8.150 1.974 2.804 1.00 0.56 H new ATOM 0 HB VAL A 69 9.145 3.068 4.518 1.00 0.74 H new ATOM 0 HG11 VAL A 69 9.483 2.268 6.821 1.00 2.08 H new ATOM 0 HG12 VAL A 69 7.775 2.559 6.417 1.00 2.08 H new ATOM 0 HG13 VAL A 69 8.404 0.895 6.480 1.00 2.08 H new ATOM 0 HG21 VAL A 69 11.071 1.588 5.172 1.00 2.90 H new ATOM 0 HG22 VAL A 69 10.131 0.179 4.625 1.00 2.90 H new ATOM 0 HG23 VAL A 69 10.631 1.422 3.455 1.00 2.90 H new ATOM 1019 N GLY A 70 7.817 -0.414 2.362 1.00 0.86 N ATOM 1020 CA GLY A 70 7.830 -1.831 2.075 1.00 1.13 C ATOM 1021 C GLY A 70 9.279 -2.235 1.853 1.00 1.33 C ATOM 1022 O GLY A 70 10.086 -1.412 1.420 1.00 1.44 O ATOM 0 H GLY A 70 7.852 0.182 1.535 1.00 0.86 H new ATOM 0 HA2 GLY A 70 7.396 -2.394 2.901 1.00 1.13 H new ATOM 0 HA3 GLY A 70 7.231 -2.049 1.191 1.00 1.13 H new ATOM 1026 N PRO A 71 9.631 -3.490 2.133 1.00 1.73 N ATOM 1027 CA PRO A 71 10.948 -3.992 1.813 1.00 1.98 C ATOM 1028 C PRO A 71 11.105 -4.099 0.305 1.00 1.40 C ATOM 1029 O PRO A 71 10.129 -4.270 -0.422 1.00 1.32 O ATOM 1030 CB PRO A 71 11.032 -5.369 2.459 1.00 2.67 C ATOM 1031 CG PRO A 71 9.574 -5.814 2.578 1.00 2.66 C ATOM 1032 CD PRO A 71 8.786 -4.514 2.714 1.00 2.14 C ATOM 0 HA PRO A 71 11.738 -3.334 2.177 1.00 1.98 H new ATOM 0 HB2 PRO A 71 11.612 -6.061 1.848 1.00 2.67 H new ATOM 0 HB3 PRO A 71 11.516 -5.323 3.435 1.00 2.67 H new ATOM 0 HG2 PRO A 71 9.259 -6.379 1.701 1.00 2.66 H new ATOM 0 HG3 PRO A 71 9.426 -6.460 3.443 1.00 2.66 H new ATOM 0 HD2 PRO A 71 7.831 -4.577 2.193 1.00 2.14 H new ATOM 0 HD3 PRO A 71 8.566 -4.295 3.759 1.00 2.14 H new ATOM 1040 N ASN A 72 12.352 -4.070 -0.158 1.00 1.21 N ATOM 1041 CA ASN A 72 12.680 -4.258 -1.553 1.00 0.93 C ATOM 1042 C ASN A 72 13.578 -5.483 -1.616 1.00 0.81 C ATOM 1043 O ASN A 72 14.782 -5.311 -1.478 1.00 0.79 O ATOM 1044 CB ASN A 72 13.429 -3.024 -2.098 1.00 1.09 C ATOM 1045 CG ASN A 72 12.592 -1.753 -2.139 1.00 1.75 C ATOM 1046 OD1 ASN A 72 12.430 -1.055 -1.147 1.00 2.59 O ATOM 1047 ND2 ASN A 72 12.129 -1.338 -3.309 1.00 2.50 N ATOM 0 H ASN A 72 13.165 -3.913 0.437 1.00 1.21 H new ATOM 0 HA ASN A 72 11.782 -4.389 -2.156 1.00 0.93 H new ATOM 0 HB2 ASN A 72 14.310 -2.846 -1.481 1.00 1.09 H new ATOM 0 HB3 ASN A 72 13.784 -3.244 -3.105 1.00 1.09 H new ATOM 0 HD21 ASN A 72 11.643 -0.444 -3.377 1.00 2.50 H new ATOM 0 HD22 ASN A 72 12.259 -1.912 -4.142 1.00 2.50 H new ATOM 1054 N PHE A 73 13.058 -6.699 -1.838 1.00 0.80 N ATOM 1055 CA PHE A 73 13.920 -7.883 -1.993 1.00 0.80 C ATOM 1056 C PHE A 73 14.997 -7.639 -3.062 1.00 0.75 C ATOM 1057 O PHE A 73 16.089 -8.195 -3.014 1.00 0.88 O ATOM 1058 CB PHE A 73 13.102 -9.166 -2.240 1.00 0.95 C ATOM 1059 CG PHE A 73 13.875 -10.469 -2.135 1.00 2.13 C ATOM 1060 CD1 PHE A 73 13.646 -11.358 -1.071 1.00 3.00 C ATOM 1061 CD2 PHE A 73 14.787 -10.829 -3.145 1.00 3.42 C ATOM 1062 CE1 PHE A 73 14.343 -12.578 -1.015 1.00 4.25 C ATOM 1063 CE2 PHE A 73 15.492 -12.043 -3.083 1.00 4.70 C ATOM 1064 CZ PHE A 73 15.268 -12.921 -2.012 1.00 4.90 C ATOM 0 H PHE A 73 12.059 -6.889 -1.914 1.00 0.80 H new ATOM 0 HA PHE A 73 14.442 -8.047 -1.050 1.00 0.80 H new ATOM 0 HB2 PHE A 73 12.280 -9.194 -1.525 1.00 0.95 H new ATOM 0 HB3 PHE A 73 12.659 -9.107 -3.234 1.00 0.95 H new ATOM 0 HD1 PHE A 73 12.936 -11.105 -0.298 1.00 3.00 H new ATOM 0 HD2 PHE A 73 14.947 -10.163 -3.980 1.00 3.42 H new ATOM 0 HE1 PHE A 73 14.164 -13.258 -0.195 1.00 4.25 H new ATOM 0 HE2 PHE A 73 16.202 -12.299 -3.855 1.00 4.70 H new ATOM 0 HZ PHE A 73 15.805 -13.856 -1.955 1.00 4.90 H new ATOM 1074 N ASN A 74 14.738 -6.734 -4.005 1.00 0.73 N ATOM 1075 CA ASN A 74 15.689 -6.334 -5.026 1.00 0.88 C ATOM 1076 C ASN A 74 17.041 -5.970 -4.396 1.00 0.99 C ATOM 1077 O ASN A 74 18.096 -6.340 -4.904 1.00 1.12 O ATOM 1078 CB ASN A 74 15.051 -5.189 -5.832 1.00 1.00 C ATOM 1079 CG ASN A 74 15.880 -4.674 -7.001 1.00 1.45 C ATOM 1080 OD1 ASN A 74 16.952 -5.165 -7.314 1.00 1.91 O ATOM 1081 ND2 ASN A 74 15.396 -3.633 -7.666 1.00 2.27 N ATOM 0 H ASN A 74 13.842 -6.252 -4.077 1.00 0.73 H new ATOM 0 HA ASN A 74 15.909 -7.153 -5.711 1.00 0.88 H new ATOM 0 HB2 ASN A 74 14.088 -5.528 -6.213 1.00 1.00 H new ATOM 0 HB3 ASN A 74 14.852 -4.358 -5.156 1.00 1.00 H new ATOM 0 HD21 ASN A 74 15.921 -3.237 -8.446 1.00 2.27 H new ATOM 0 HD22 ASN A 74 14.499 -3.229 -7.398 1.00 2.27 H new ATOM 1088 N LYS A 75 17.017 -5.247 -3.273 1.00 0.98 N ATOM 1089 CA LYS A 75 18.206 -4.873 -2.512 1.00 1.06 C ATOM 1090 C LYS A 75 18.050 -5.249 -1.030 1.00 0.96 C ATOM 1091 O LYS A 75 18.620 -4.595 -0.161 1.00 1.03 O ATOM 1092 CB LYS A 75 18.489 -3.373 -2.693 1.00 1.18 C ATOM 1093 CG LYS A 75 19.273 -3.048 -3.977 1.00 1.35 C ATOM 1094 CD LYS A 75 18.412 -2.927 -5.238 1.00 2.63 C ATOM 1095 CE LYS A 75 17.718 -1.569 -5.326 1.00 3.81 C ATOM 1096 NZ LYS A 75 18.538 -0.580 -6.060 1.00 4.34 N ATOM 0 H LYS A 75 16.151 -4.899 -2.861 1.00 0.98 H new ATOM 0 HA LYS A 75 19.062 -5.429 -2.893 1.00 1.06 H new ATOM 0 HB2 LYS A 75 17.543 -2.832 -2.707 1.00 1.18 H new ATOM 0 HB3 LYS A 75 19.051 -3.011 -1.832 1.00 1.18 H new ATOM 0 HG2 LYS A 75 19.812 -2.112 -3.830 1.00 1.35 H new ATOM 0 HG3 LYS A 75 20.021 -3.825 -4.137 1.00 1.35 H new ATOM 0 HD2 LYS A 75 19.036 -3.073 -6.119 1.00 2.63 H new ATOM 0 HD3 LYS A 75 17.663 -3.719 -5.243 1.00 2.63 H new ATOM 0 HE2 LYS A 75 16.755 -1.684 -5.824 1.00 3.81 H new ATOM 0 HE3 LYS A 75 17.515 -1.199 -4.321 1.00 3.81 H new ATOM 0 HZ1 LYS A 75 18.034 0.329 -6.099 1.00 4.34 H new ATOM 0 HZ2 LYS A 75 19.447 -0.451 -5.571 1.00 4.34 H new ATOM 0 HZ3 LYS A 75 18.711 -0.922 -7.027 1.00 4.34 H new ATOM 1110 N VAL A 76 17.301 -6.304 -0.718 1.00 0.86 N ATOM 1111 CA VAL A 76 17.148 -6.762 0.667 1.00 0.85 C ATOM 1112 C VAL A 76 16.907 -8.278 0.695 1.00 0.83 C ATOM 1113 O VAL A 76 16.446 -8.843 -0.289 1.00 0.93 O ATOM 1114 CB VAL A 76 16.056 -5.920 1.379 1.00 0.86 C ATOM 1115 CG1 VAL A 76 14.787 -6.686 1.766 1.00 0.78 C ATOM 1116 CG2 VAL A 76 16.629 -5.256 2.631 1.00 1.02 C ATOM 0 H VAL A 76 16.789 -6.860 -1.403 1.00 0.86 H new ATOM 0 HA VAL A 76 18.065 -6.601 1.234 1.00 0.85 H new ATOM 0 HB VAL A 76 15.753 -5.183 0.636 1.00 0.86 H new ATOM 0 HG11 VAL A 76 14.088 -6.008 2.257 1.00 0.78 H new ATOM 0 HG12 VAL A 76 14.324 -7.099 0.870 1.00 0.78 H new ATOM 0 HG13 VAL A 76 15.045 -7.497 2.447 1.00 0.78 H new ATOM 0 HG21 VAL A 76 15.851 -4.669 3.120 1.00 1.02 H new ATOM 0 HG22 VAL A 76 16.990 -6.023 3.317 1.00 1.02 H new ATOM 0 HG23 VAL A 76 17.455 -4.602 2.351 1.00 1.02 H new ATOM 1126 N SER A 77 17.226 -8.960 1.796 1.00 0.78 N ATOM 1127 CA SER A 77 17.075 -10.407 1.881 1.00 0.79 C ATOM 1128 C SER A 77 15.709 -10.757 2.452 1.00 0.70 C ATOM 1129 O SER A 77 15.135 -9.953 3.174 1.00 0.66 O ATOM 1130 CB SER A 77 18.160 -10.964 2.803 1.00 0.90 C ATOM 1131 OG SER A 77 19.429 -10.546 2.350 1.00 1.61 O ATOM 0 H SER A 77 17.592 -8.527 2.644 1.00 0.78 H new ATOM 0 HA SER A 77 17.167 -10.839 0.884 1.00 0.79 H new ATOM 0 HB2 SER A 77 17.996 -10.619 3.824 1.00 0.90 H new ATOM 0 HB3 SER A 77 18.111 -12.053 2.823 1.00 0.90 H new ATOM 0 HG SER A 77 20.122 -10.903 2.944 1.00 1.61 H new ATOM 1137 N GLU A 78 15.240 -11.988 2.235 1.00 0.72 N ATOM 1138 CA GLU A 78 13.973 -12.503 2.768 1.00 0.77 C ATOM 1139 C GLU A 78 13.908 -12.362 4.286 1.00 0.80 C ATOM 1140 O GLU A 78 12.841 -12.202 4.849 1.00 0.89 O ATOM 1141 CB GLU A 78 13.796 -13.980 2.369 1.00 0.86 C ATOM 1142 CG GLU A 78 12.494 -14.239 1.594 1.00 1.25 C ATOM 1143 CD GLU A 78 11.304 -14.488 2.518 1.00 2.60 C ATOM 1144 OE1 GLU A 78 10.631 -13.493 2.858 1.00 3.93 O ATOM 1145 OE2 GLU A 78 11.094 -15.674 2.858 1.00 3.16 O ATOM 0 H GLU A 78 15.742 -12.673 1.670 1.00 0.72 H new ATOM 0 HA GLU A 78 13.163 -11.911 2.341 1.00 0.77 H new ATOM 0 HB2 GLU A 78 14.644 -14.290 1.758 1.00 0.86 H new ATOM 0 HB3 GLU A 78 13.807 -14.597 3.267 1.00 0.86 H new ATOM 0 HG2 GLU A 78 12.280 -13.384 0.953 1.00 1.25 H new ATOM 0 HG3 GLU A 78 12.629 -15.101 0.940 1.00 1.25 H new ATOM 1152 N VAL A 79 15.044 -12.410 4.980 1.00 0.83 N ATOM 1153 CA VAL A 79 15.031 -12.305 6.433 1.00 0.94 C ATOM 1154 C VAL A 79 14.603 -10.894 6.830 1.00 0.90 C ATOM 1155 O VAL A 79 13.801 -10.701 7.744 1.00 0.99 O ATOM 1156 CB VAL A 79 16.421 -12.658 6.983 1.00 1.06 C ATOM 1157 CG1 VAL A 79 16.464 -12.578 8.514 1.00 1.20 C ATOM 1158 CG2 VAL A 79 16.816 -14.078 6.558 1.00 1.16 C ATOM 0 H VAL A 79 15.970 -12.519 4.566 1.00 0.83 H new ATOM 0 HA VAL A 79 14.316 -13.007 6.861 1.00 0.94 H new ATOM 0 HB VAL A 79 17.121 -11.930 6.573 1.00 1.06 H new ATOM 0 HG11 VAL A 79 17.464 -12.835 8.864 1.00 1.20 H new ATOM 0 HG12 VAL A 79 16.217 -11.565 8.833 1.00 1.20 H new ATOM 0 HG13 VAL A 79 15.742 -13.277 8.935 1.00 1.20 H new ATOM 0 HG21 VAL A 79 17.803 -14.315 6.955 1.00 1.16 H new ATOM 0 HG22 VAL A 79 16.088 -14.790 6.947 1.00 1.16 H new ATOM 0 HG23 VAL A 79 16.838 -14.139 5.470 1.00 1.16 H new ATOM 1168 N GLU A 80 15.157 -9.892 6.149 1.00 0.79 N ATOM 1169 CA GLU A 80 14.870 -8.507 6.481 1.00 0.73 C ATOM 1170 C GLU A 80 13.531 -8.109 5.886 1.00 0.64 C ATOM 1171 O GLU A 80 12.834 -7.265 6.432 1.00 0.65 O ATOM 1172 CB GLU A 80 16.001 -7.624 5.936 1.00 0.75 C ATOM 1173 CG GLU A 80 16.028 -6.226 6.565 1.00 0.88 C ATOM 1174 CD GLU A 80 16.543 -6.281 8.006 1.00 1.39 C ATOM 1175 OE1 GLU A 80 15.783 -6.761 8.876 1.00 2.51 O ATOM 1176 OE2 GLU A 80 17.710 -5.878 8.210 1.00 2.35 O ATOM 0 H GLU A 80 15.803 -10.017 5.369 1.00 0.79 H new ATOM 0 HA GLU A 80 14.812 -8.379 7.562 1.00 0.73 H new ATOM 0 HB2 GLU A 80 16.957 -8.116 6.116 1.00 0.75 H new ATOM 0 HB3 GLU A 80 15.891 -7.528 4.856 1.00 0.75 H new ATOM 0 HG2 GLU A 80 16.665 -5.569 5.972 1.00 0.88 H new ATOM 0 HG3 GLU A 80 15.026 -5.797 6.550 1.00 0.88 H new ATOM 1183 N GLY A 81 13.151 -8.728 4.774 1.00 0.64 N ATOM 1184 CA GLY A 81 11.911 -8.444 4.100 1.00 0.63 C ATOM 1185 C GLY A 81 10.754 -9.123 4.793 1.00 0.71 C ATOM 1186 O GLY A 81 9.651 -8.620 4.704 1.00 0.72 O ATOM 0 H GLY A 81 13.710 -9.449 4.318 1.00 0.64 H new ATOM 0 HA2 GLY A 81 11.744 -7.367 4.075 1.00 0.63 H new ATOM 0 HA3 GLY A 81 11.969 -8.781 3.065 1.00 0.63 H new ATOM 1190 N ASP A 82 10.967 -10.222 5.506 1.00 0.80 N ATOM 1191 CA ASP A 82 9.925 -10.816 6.326 1.00 0.90 C ATOM 1192 C ASP A 82 9.578 -9.825 7.423 1.00 0.87 C ATOM 1193 O ASP A 82 8.426 -9.415 7.562 1.00 0.88 O ATOM 1194 CB ASP A 82 10.410 -12.147 6.910 1.00 1.04 C ATOM 1195 CG ASP A 82 9.508 -12.632 8.045 1.00 1.33 C ATOM 1196 OD1 ASP A 82 8.285 -12.730 7.809 1.00 1.57 O ATOM 1197 OD2 ASP A 82 10.058 -12.876 9.143 1.00 2.40 O ATOM 0 H ASP A 82 11.857 -10.720 5.531 1.00 0.80 H new ATOM 0 HA ASP A 82 9.037 -11.029 5.731 1.00 0.90 H new ATOM 0 HB2 ASP A 82 10.440 -12.900 6.122 1.00 1.04 H new ATOM 0 HB3 ASP A 82 11.429 -12.032 7.280 1.00 1.04 H new ATOM 1202 N LYS A 83 10.586 -9.363 8.168 1.00 0.84 N ATOM 1203 CA LYS A 83 10.296 -8.426 9.241 1.00 0.80 C ATOM 1204 C LYS A 83 9.707 -7.152 8.677 1.00 0.68 C ATOM 1205 O LYS A 83 8.690 -6.695 9.171 1.00 0.65 O ATOM 1206 CB LYS A 83 11.525 -8.087 10.081 1.00 0.85 C ATOM 1207 CG LYS A 83 11.780 -9.116 11.187 1.00 1.10 C ATOM 1208 CD LYS A 83 12.789 -10.196 10.782 1.00 1.39 C ATOM 1209 CE LYS A 83 13.312 -10.909 12.032 1.00 2.10 C ATOM 1210 NZ LYS A 83 14.153 -10.014 12.861 1.00 2.72 N ATOM 0 H LYS A 83 11.568 -9.613 8.052 1.00 0.84 H new ATOM 0 HA LYS A 83 9.577 -8.917 9.897 1.00 0.80 H new ATOM 0 HB2 LYS A 83 12.400 -8.030 9.433 1.00 0.85 H new ATOM 0 HB3 LYS A 83 11.395 -7.102 10.529 1.00 0.85 H new ATOM 0 HG2 LYS A 83 12.144 -8.602 12.076 1.00 1.10 H new ATOM 0 HG3 LYS A 83 10.837 -9.591 11.457 1.00 1.10 H new ATOM 0 HD2 LYS A 83 12.317 -10.915 10.112 1.00 1.39 H new ATOM 0 HD3 LYS A 83 13.617 -9.746 10.235 1.00 1.39 H new ATOM 0 HE2 LYS A 83 12.471 -11.270 12.624 1.00 2.10 H new ATOM 0 HE3 LYS A 83 13.892 -11.783 11.737 1.00 2.10 H new ATOM 0 HZ1 LYS A 83 14.812 -10.584 13.428 1.00 2.72 H new ATOM 0 HZ2 LYS A 83 14.692 -9.374 12.244 1.00 2.72 H new ATOM 0 HZ3 LYS A 83 13.546 -9.455 13.494 1.00 2.72 H new ATOM 1224 N GLN A 84 10.325 -6.565 7.660 1.00 0.64 N ATOM 1225 CA GLN A 84 9.896 -5.278 7.141 1.00 0.59 C ATOM 1226 C GLN A 84 8.530 -5.398 6.483 1.00 0.59 C ATOM 1227 O GLN A 84 7.753 -4.451 6.512 1.00 0.57 O ATOM 1228 CB GLN A 84 10.927 -4.754 6.147 1.00 0.63 C ATOM 1229 CG GLN A 84 12.137 -4.174 6.880 1.00 1.83 C ATOM 1230 CD GLN A 84 11.806 -2.825 7.510 1.00 2.59 C ATOM 1231 OE1 GLN A 84 11.542 -1.862 6.797 1.00 2.34 O ATOM 1232 NE2 GLN A 84 11.812 -2.719 8.831 1.00 3.76 N ATOM 0 H GLN A 84 11.130 -6.965 7.177 1.00 0.64 H new ATOM 0 HA GLN A 84 9.813 -4.572 7.967 1.00 0.59 H new ATOM 0 HB2 GLN A 84 11.247 -5.561 5.488 1.00 0.63 H new ATOM 0 HB3 GLN A 84 10.475 -3.988 5.517 1.00 0.63 H new ATOM 0 HG2 GLN A 84 12.464 -4.869 7.653 1.00 1.83 H new ATOM 0 HG3 GLN A 84 12.967 -4.059 6.183 1.00 1.83 H new ATOM 0 HE21 GLN A 84 12.034 -3.531 9.407 1.00 3.76 H new ATOM 0 HE22 GLN A 84 11.595 -1.825 9.272 1.00 3.76 H new ATOM 1241 N LEU A 85 8.213 -6.547 5.887 1.00 0.64 N ATOM 1242 CA LEU A 85 6.901 -6.748 5.298 1.00 0.67 C ATOM 1243 C LEU A 85 5.872 -6.806 6.423 1.00 0.67 C ATOM 1244 O LEU A 85 4.799 -6.223 6.308 1.00 0.66 O ATOM 1245 CB LEU A 85 6.908 -8.012 4.425 1.00 0.76 C ATOM 1246 CG LEU A 85 5.600 -8.297 3.693 1.00 0.84 C ATOM 1247 CD1 LEU A 85 5.169 -7.081 2.866 1.00 0.96 C ATOM 1248 CD2 LEU A 85 5.796 -9.487 2.750 1.00 1.12 C ATOM 0 H LEU A 85 8.845 -7.343 5.802 1.00 0.64 H new ATOM 0 HA LEU A 85 6.634 -5.921 4.640 1.00 0.67 H new ATOM 0 HB2 LEU A 85 7.707 -7.923 3.689 1.00 0.76 H new ATOM 0 HB3 LEU A 85 7.149 -8.869 5.054 1.00 0.76 H new ATOM 0 HG LEU A 85 4.830 -8.519 4.432 1.00 0.84 H new ATOM 0 HD11 LEU A 85 4.234 -7.304 2.351 1.00 0.96 H new ATOM 0 HD12 LEU A 85 5.025 -6.225 3.525 1.00 0.96 H new ATOM 0 HD13 LEU A 85 5.941 -6.848 2.132 1.00 0.96 H new ATOM 0 HD21 LEU A 85 4.863 -9.693 2.225 1.00 1.12 H new ATOM 0 HD22 LEU A 85 6.576 -9.252 2.025 1.00 1.12 H new ATOM 0 HD23 LEU A 85 6.089 -10.364 3.327 1.00 1.12 H new ATOM 1260 N ALA A 86 6.205 -7.464 7.534 1.00 0.68 N ATOM 1261 CA ALA A 86 5.307 -7.551 8.673 1.00 0.68 C ATOM 1262 C ALA A 86 5.246 -6.231 9.430 1.00 0.59 C ATOM 1263 O ALA A 86 4.250 -5.967 10.081 1.00 0.59 O ATOM 1264 CB ALA A 86 5.767 -8.678 9.600 1.00 0.75 C ATOM 0 H ALA A 86 7.095 -7.945 7.664 1.00 0.68 H new ATOM 0 HA ALA A 86 4.303 -7.768 8.308 1.00 0.68 H new ATOM 0 HB1 ALA A 86 5.094 -8.744 10.455 1.00 0.75 H new ATOM 0 HB2 ALA A 86 5.757 -9.623 9.057 1.00 0.75 H new ATOM 0 HB3 ALA A 86 6.778 -8.471 9.950 1.00 0.75 H new ATOM 1270 N GLU A 87 6.277 -5.397 9.352 1.00 0.54 N ATOM 1271 CA GLU A 87 6.323 -4.087 9.980 1.00 0.46 C ATOM 1272 C GLU A 87 5.495 -3.096 9.162 1.00 0.45 C ATOM 1273 O GLU A 87 4.810 -2.226 9.698 1.00 0.45 O ATOM 1274 CB GLU A 87 7.776 -3.618 10.073 1.00 0.45 C ATOM 1275 CG GLU A 87 8.463 -4.133 11.335 1.00 0.55 C ATOM 1276 CD GLU A 87 9.709 -3.302 11.642 1.00 0.86 C ATOM 1277 OE1 GLU A 87 9.551 -2.250 12.307 1.00 2.07 O ATOM 1278 OE2 GLU A 87 10.799 -3.711 11.176 1.00 2.00 O ATOM 0 H GLU A 87 7.127 -5.623 8.835 1.00 0.54 H new ATOM 0 HA GLU A 87 5.905 -4.146 10.985 1.00 0.46 H new ATOM 0 HB2 GLU A 87 8.325 -3.961 9.196 1.00 0.45 H new ATOM 0 HB3 GLU A 87 7.807 -2.528 10.062 1.00 0.45 H new ATOM 0 HG2 GLU A 87 7.772 -4.088 12.177 1.00 0.55 H new ATOM 0 HG3 GLU A 87 8.739 -5.179 11.205 1.00 0.55 H new ATOM 1285 N ALA A 88 5.510 -3.247 7.842 1.00 0.48 N ATOM 1286 CA ALA A 88 4.642 -2.472 6.978 1.00 0.52 C ATOM 1287 C ALA A 88 3.207 -2.824 7.347 1.00 0.52 C ATOM 1288 O ALA A 88 2.410 -1.964 7.706 1.00 0.52 O ATOM 1289 CB ALA A 88 4.950 -2.773 5.508 1.00 0.59 C ATOM 0 H ALA A 88 6.118 -3.903 7.351 1.00 0.48 H new ATOM 0 HA ALA A 88 4.800 -1.402 7.113 1.00 0.52 H new ATOM 0 HB1 ALA A 88 4.291 -2.184 4.870 1.00 0.59 H new ATOM 0 HB2 ALA A 88 5.987 -2.516 5.294 1.00 0.59 H new ATOM 0 HB3 ALA A 88 4.791 -3.834 5.313 1.00 0.59 H new ATOM 1295 N TYR A 89 2.892 -4.115 7.309 1.00 0.55 N ATOM 1296 CA TYR A 89 1.593 -4.647 7.638 1.00 0.61 C ATOM 1297 C TYR A 89 1.181 -4.368 9.073 1.00 0.57 C ATOM 1298 O TYR A 89 -0.004 -4.159 9.301 1.00 0.58 O ATOM 1299 CB TYR A 89 1.610 -6.147 7.326 1.00 0.75 C ATOM 1300 CG TYR A 89 1.550 -6.485 5.840 1.00 0.87 C ATOM 1301 CD1 TYR A 89 2.269 -7.590 5.349 1.00 2.53 C ATOM 1302 CD2 TYR A 89 0.821 -5.683 4.932 1.00 1.59 C ATOM 1303 CE1 TYR A 89 2.309 -7.854 3.970 1.00 2.64 C ATOM 1304 CE2 TYR A 89 0.893 -5.924 3.551 1.00 1.57 C ATOM 1305 CZ TYR A 89 1.653 -7.002 3.062 1.00 1.12 C ATOM 1306 OH TYR A 89 1.757 -7.220 1.724 1.00 1.28 O ATOM 0 H TYR A 89 3.562 -4.835 7.039 1.00 0.55 H new ATOM 0 HA TYR A 89 0.838 -4.145 7.033 1.00 0.61 H new ATOM 0 HB2 TYR A 89 2.515 -6.583 7.748 1.00 0.75 H new ATOM 0 HB3 TYR A 89 0.765 -6.619 7.827 1.00 0.75 H new ATOM 0 HD1 TYR A 89 2.793 -8.238 6.036 1.00 2.53 H new ATOM 0 HD2 TYR A 89 0.204 -4.879 5.304 1.00 1.59 H new ATOM 0 HE1 TYR A 89 2.847 -8.716 3.604 1.00 2.64 H new ATOM 0 HE2 TYR A 89 0.364 -5.281 2.863 1.00 1.57 H new ATOM 0 HH TYR A 89 1.146 -7.939 1.461 1.00 1.28 H new ATOM 1316 N GLU A 90 2.093 -4.325 10.045 1.00 0.57 N ATOM 1317 CA GLU A 90 1.683 -4.027 11.413 1.00 0.55 C ATOM 1318 C GLU A 90 1.314 -2.563 11.473 1.00 0.41 C ATOM 1319 O GLU A 90 0.332 -2.204 12.106 1.00 0.39 O ATOM 1320 CB GLU A 90 2.716 -4.394 12.508 1.00 0.65 C ATOM 1321 CG GLU A 90 3.774 -3.292 12.718 1.00 2.61 C ATOM 1322 CD GLU A 90 4.840 -3.537 13.792 1.00 3.04 C ATOM 1323 OE1 GLU A 90 5.550 -2.546 14.116 1.00 4.22 O ATOM 1324 OE2 GLU A 90 4.927 -4.679 14.289 1.00 2.92 O ATOM 0 H GLU A 90 3.092 -4.488 9.915 1.00 0.57 H new ATOM 0 HA GLU A 90 0.831 -4.666 11.645 1.00 0.55 H new ATOM 0 HB2 GLU A 90 2.195 -4.576 13.448 1.00 0.65 H new ATOM 0 HB3 GLU A 90 3.215 -5.324 12.235 1.00 0.65 H new ATOM 0 HG2 GLU A 90 4.283 -3.128 11.768 1.00 2.61 H new ATOM 0 HG3 GLU A 90 3.253 -2.367 12.964 1.00 2.61 H new ATOM 1331 N SER A 91 2.086 -1.708 10.806 1.00 0.40 N ATOM 1332 CA SER A 91 1.821 -0.291 10.840 1.00 0.41 C ATOM 1333 C SER A 91 0.477 -0.038 10.169 1.00 0.44 C ATOM 1334 O SER A 91 -0.330 0.735 10.670 1.00 0.47 O ATOM 1335 CB SER A 91 2.941 0.490 10.152 1.00 0.45 C ATOM 1336 OG SER A 91 4.182 0.362 10.820 1.00 0.96 O ATOM 0 H SER A 91 2.892 -1.979 10.242 1.00 0.40 H new ATOM 0 HA SER A 91 1.783 0.055 11.873 1.00 0.41 H new ATOM 0 HB2 SER A 91 3.047 0.139 9.126 1.00 0.45 H new ATOM 0 HB3 SER A 91 2.666 1.544 10.101 1.00 0.45 H new ATOM 0 HG SER A 91 4.598 -0.492 10.577 1.00 0.96 H new ATOM 1342 N ILE A 92 0.206 -0.705 9.046 1.00 0.47 N ATOM 1343 CA ILE A 92 -1.005 -0.451 8.286 1.00 0.53 C ATOM 1344 C ILE A 92 -2.197 -0.990 9.072 1.00 0.48 C ATOM 1345 O ILE A 92 -3.234 -0.344 9.158 1.00 0.53 O ATOM 1346 CB ILE A 92 -0.860 -1.057 6.872 1.00 0.60 C ATOM 1347 CG1 ILE A 92 -0.384 0.009 5.863 1.00 0.74 C ATOM 1348 CG2 ILE A 92 -2.145 -1.693 6.339 1.00 0.65 C ATOM 1349 CD1 ILE A 92 0.989 -0.343 5.303 1.00 1.27 C ATOM 0 H ILE A 92 0.812 -1.423 8.648 1.00 0.47 H new ATOM 0 HA ILE A 92 -1.175 0.616 8.143 1.00 0.53 H new ATOM 0 HB ILE A 92 -0.118 -1.849 6.976 1.00 0.60 H new ATOM 0 HG12 ILE A 92 -1.103 0.090 5.048 1.00 0.74 H new ATOM 0 HG13 ILE A 92 -0.343 0.983 6.350 1.00 0.74 H new ATOM 0 HG21 ILE A 92 -1.965 -2.096 5.343 1.00 0.65 H new ATOM 0 HG22 ILE A 92 -2.456 -2.497 7.005 1.00 0.65 H new ATOM 0 HG23 ILE A 92 -2.930 -0.939 6.289 1.00 0.65 H new ATOM 0 HD11 ILE A 92 1.301 0.425 4.595 1.00 1.27 H new ATOM 0 HD12 ILE A 92 1.711 -0.399 6.118 1.00 1.27 H new ATOM 0 HD13 ILE A 92 0.939 -1.306 4.795 1.00 1.27 H new ATOM 1361 N ALA A 93 -2.054 -2.182 9.640 1.00 0.45 N ATOM 1362 CA ALA A 93 -3.145 -2.899 10.282 1.00 0.47 C ATOM 1363 C ALA A 93 -3.526 -2.207 11.576 1.00 0.47 C ATOM 1364 O ALA A 93 -4.699 -1.975 11.849 1.00 0.49 O ATOM 1365 CB ALA A 93 -2.724 -4.336 10.568 1.00 0.52 C ATOM 0 H ALA A 93 -1.165 -2.682 9.667 1.00 0.45 H new ATOM 0 HA ALA A 93 -4.007 -2.906 9.615 1.00 0.47 H new ATOM 0 HB1 ALA A 93 -3.546 -4.867 11.049 1.00 0.52 H new ATOM 0 HB2 ALA A 93 -2.469 -4.833 9.632 1.00 0.52 H new ATOM 0 HB3 ALA A 93 -1.856 -4.336 11.228 1.00 0.52 H new ATOM 1371 N LYS A 94 -2.515 -1.866 12.372 1.00 0.47 N ATOM 1372 CA LYS A 94 -2.701 -1.103 13.587 1.00 0.53 C ATOM 1373 C LYS A 94 -3.382 0.195 13.212 1.00 0.50 C ATOM 1374 O LYS A 94 -4.442 0.465 13.748 1.00 0.54 O ATOM 1375 CB LYS A 94 -1.368 -0.890 14.321 1.00 0.64 C ATOM 1376 CG LYS A 94 -0.837 -2.221 14.878 1.00 1.06 C ATOM 1377 CD LYS A 94 -1.562 -2.615 16.170 1.00 2.16 C ATOM 1378 CE LYS A 94 -1.556 -4.139 16.322 1.00 3.42 C ATOM 1379 NZ LYS A 94 -2.326 -4.567 17.510 1.00 5.06 N ATOM 0 H LYS A 94 -1.544 -2.116 12.185 1.00 0.47 H new ATOM 0 HA LYS A 94 -3.332 -1.645 14.292 1.00 0.53 H new ATOM 0 HB2 LYS A 94 -0.636 -0.458 13.639 1.00 0.64 H new ATOM 0 HB3 LYS A 94 -1.505 -0.178 15.135 1.00 0.64 H new ATOM 0 HG2 LYS A 94 -0.965 -3.006 14.133 1.00 1.06 H new ATOM 0 HG3 LYS A 94 0.233 -2.136 15.070 1.00 1.06 H new ATOM 0 HD2 LYS A 94 -1.074 -2.153 17.028 1.00 2.16 H new ATOM 0 HD3 LYS A 94 -2.587 -2.246 16.150 1.00 2.16 H new ATOM 0 HE2 LYS A 94 -1.980 -4.597 15.428 1.00 3.42 H new ATOM 0 HE3 LYS A 94 -0.529 -4.494 16.406 1.00 3.42 H new ATOM 0 HZ1 LYS A 94 -2.302 -5.604 17.584 1.00 5.06 H new ATOM 0 HZ2 LYS A 94 -1.906 -4.149 18.365 1.00 5.06 H new ATOM 0 HZ3 LYS A 94 -3.312 -4.249 17.418 1.00 5.06 H new ATOM 1393 N ILE A 95 -2.882 0.925 12.213 1.00 0.50 N ATOM 1394 CA ILE A 95 -3.490 2.196 11.822 1.00 0.52 C ATOM 1395 C ILE A 95 -4.943 2.000 11.398 1.00 0.53 C ATOM 1396 O ILE A 95 -5.789 2.848 11.674 1.00 0.52 O ATOM 1397 CB ILE A 95 -2.634 2.880 10.731 1.00 0.54 C ATOM 1398 CG1 ILE A 95 -1.363 3.469 11.374 1.00 0.73 C ATOM 1399 CG2 ILE A 95 -3.402 3.992 9.998 1.00 0.83 C ATOM 1400 CD1 ILE A 95 -0.297 3.875 10.345 1.00 0.73 C ATOM 0 H ILE A 95 -2.064 0.660 11.664 1.00 0.50 H new ATOM 0 HA ILE A 95 -3.511 2.864 12.683 1.00 0.52 H new ATOM 0 HB ILE A 95 -2.373 2.122 9.993 1.00 0.54 H new ATOM 0 HG12 ILE A 95 -1.635 4.341 11.969 1.00 0.73 H new ATOM 0 HG13 ILE A 95 -0.937 2.736 12.059 1.00 0.73 H new ATOM 0 HG21 ILE A 95 -2.758 4.441 9.242 1.00 0.83 H new ATOM 0 HG22 ILE A 95 -4.285 3.569 9.518 1.00 0.83 H new ATOM 0 HG23 ILE A 95 -3.709 4.755 10.714 1.00 0.83 H new ATOM 0 HD11 ILE A 95 0.572 4.282 10.862 1.00 0.73 H new ATOM 0 HD12 ILE A 95 0.002 3.001 9.766 1.00 0.73 H new ATOM 0 HD13 ILE A 95 -0.707 4.631 9.675 1.00 0.73 H new ATOM 1412 N VAL A 96 -5.254 0.893 10.734 1.00 0.57 N ATOM 1413 CA VAL A 96 -6.583 0.604 10.245 1.00 0.62 C ATOM 1414 C VAL A 96 -7.504 0.347 11.426 1.00 0.63 C ATOM 1415 O VAL A 96 -8.666 0.732 11.398 1.00 0.64 O ATOM 1416 CB VAL A 96 -6.484 -0.595 9.288 1.00 0.72 C ATOM 1417 CG1 VAL A 96 -7.803 -1.353 9.160 1.00 0.82 C ATOM 1418 CG2 VAL A 96 -6.046 -0.131 7.898 1.00 0.74 C ATOM 0 H VAL A 96 -4.574 0.164 10.520 1.00 0.57 H new ATOM 0 HA VAL A 96 -7.006 1.443 9.693 1.00 0.62 H new ATOM 0 HB VAL A 96 -5.744 -1.272 9.715 1.00 0.72 H new ATOM 0 HG11 VAL A 96 -7.677 -2.189 8.473 1.00 0.82 H new ATOM 0 HG12 VAL A 96 -8.103 -1.729 10.138 1.00 0.82 H new ATOM 0 HG13 VAL A 96 -8.572 -0.682 8.778 1.00 0.82 H new ATOM 0 HG21 VAL A 96 -5.980 -0.991 7.231 1.00 0.74 H new ATOM 0 HG22 VAL A 96 -6.774 0.578 7.505 1.00 0.74 H new ATOM 0 HG23 VAL A 96 -5.071 0.351 7.966 1.00 0.74 H new ATOM 1428 N ASN A 97 -7.012 -0.318 12.463 1.00 0.67 N ATOM 1429 CA ASN A 97 -7.843 -0.706 13.588 1.00 0.77 C ATOM 1430 C ASN A 97 -8.024 0.497 14.507 1.00 0.71 C ATOM 1431 O ASN A 97 -9.100 0.710 15.055 1.00 0.81 O ATOM 1432 CB ASN A 97 -7.172 -1.866 14.327 1.00 0.91 C ATOM 1433 CG ASN A 97 -8.185 -2.805 14.965 1.00 0.81 C ATOM 1434 OD1 ASN A 97 -8.392 -2.791 16.170 1.00 2.46 O ATOM 1435 ND2 ASN A 97 -8.793 -3.669 14.161 1.00 1.75 N ATOM 0 H ASN A 97 -6.035 -0.600 12.545 1.00 0.67 H new ATOM 0 HA ASN A 97 -8.825 -1.034 13.246 1.00 0.77 H new ATOM 0 HB2 ASN A 97 -6.549 -2.426 13.630 1.00 0.91 H new ATOM 0 HB3 ASN A 97 -6.511 -1.470 15.098 1.00 0.91 H new ATOM 0 HD21 ASN A 97 -9.453 -4.345 14.545 1.00 1.75 H new ATOM 0 HD22 ASN A 97 -8.600 -3.657 13.160 1.00 1.75 H new ATOM 1442 N ASP A 98 -6.976 1.314 14.606 1.00 0.61 N ATOM 1443 CA ASP A 98 -6.878 2.515 15.410 1.00 0.63 C ATOM 1444 C ASP A 98 -7.888 3.518 14.878 1.00 0.66 C ATOM 1445 O ASP A 98 -8.605 4.163 15.638 1.00 0.75 O ATOM 1446 CB ASP A 98 -5.460 3.101 15.293 1.00 0.58 C ATOM 1447 CG ASP A 98 -4.380 2.322 16.050 1.00 1.75 C ATOM 1448 OD1 ASP A 98 -3.208 2.410 15.617 1.00 2.99 O ATOM 1449 OD2 ASP A 98 -4.729 1.677 17.064 1.00 2.67 O ATOM 0 H ASP A 98 -6.117 1.134 14.087 1.00 0.61 H new ATOM 0 HA ASP A 98 -7.080 2.289 16.457 1.00 0.63 H new ATOM 0 HB2 ASP A 98 -5.186 3.145 14.239 1.00 0.58 H new ATOM 0 HB3 ASP A 98 -5.474 4.127 15.661 1.00 0.58 H new ATOM 1454 N ASN A 99 -7.952 3.655 13.551 1.00 0.59 N ATOM 1455 CA ASN A 99 -8.943 4.500 12.920 1.00 0.61 C ATOM 1456 C ASN A 99 -10.257 3.752 12.689 1.00 0.69 C ATOM 1457 O ASN A 99 -11.246 4.362 12.285 1.00 0.73 O ATOM 1458 CB ASN A 99 -8.387 4.989 11.591 1.00 0.54 C ATOM 1459 CG ASN A 99 -7.814 6.392 11.681 1.00 0.79 C ATOM 1460 OD1 ASN A 99 -8.369 7.344 11.141 1.00 0.92 O ATOM 1461 ND2 ASN A 99 -6.680 6.542 12.347 1.00 2.53 N ATOM 0 H ASN A 99 -7.323 3.186 12.900 1.00 0.59 H new ATOM 0 HA ASN A 99 -9.157 5.341 13.579 1.00 0.61 H new ATOM 0 HB2 ASN A 99 -7.610 4.304 11.252 1.00 0.54 H new ATOM 0 HB3 ASN A 99 -9.178 4.970 10.841 1.00 0.54 H new ATOM 0 HD21 ASN A 99 -6.249 7.464 12.420 1.00 2.53 H new ATOM 0 HD22 ASN A 99 -6.237 5.736 12.788 1.00 2.53 H new ATOM 1468 N ASN A 100 -10.271 2.438 12.918 1.00 0.76 N ATOM 1469 CA ASN A 100 -11.424 1.576 12.727 1.00 0.88 C ATOM 1470 C ASN A 100 -12.029 1.757 11.339 1.00 0.79 C ATOM 1471 O ASN A 100 -13.219 2.025 11.188 1.00 0.77 O ATOM 1472 CB ASN A 100 -12.426 1.857 13.844 1.00 1.01 C ATOM 1473 CG ASN A 100 -13.289 0.637 14.133 1.00 1.23 C ATOM 1474 OD1 ASN A 100 -13.568 -0.168 13.255 1.00 1.86 O ATOM 1475 ND2 ASN A 100 -13.714 0.469 15.377 1.00 1.64 N ATOM 0 H ASN A 100 -9.450 1.934 13.252 1.00 0.76 H new ATOM 0 HA ASN A 100 -11.122 0.530 12.782 1.00 0.88 H new ATOM 0 HB2 ASN A 100 -11.893 2.150 14.748 1.00 1.01 H new ATOM 0 HB3 ASN A 100 -13.062 2.696 13.562 1.00 1.01 H new ATOM 0 HD21 ASN A 100 -14.284 -0.342 15.616 1.00 1.64 H new ATOM 0 HD22 ASN A 100 -13.471 1.151 16.095 1.00 1.64 H new ATOM 1482 N TYR A 101 -11.194 1.676 10.306 1.00 0.76 N ATOM 1483 CA TYR A 101 -11.666 1.833 8.943 1.00 0.73 C ATOM 1484 C TYR A 101 -12.537 0.658 8.516 1.00 0.89 C ATOM 1485 O TYR A 101 -12.243 -0.501 8.788 1.00 1.12 O ATOM 1486 CB TYR A 101 -10.493 2.013 7.984 1.00 0.83 C ATOM 1487 CG TYR A 101 -9.670 3.268 8.204 1.00 0.64 C ATOM 1488 CD1 TYR A 101 -8.271 3.206 8.088 1.00 1.88 C ATOM 1489 CD2 TYR A 101 -10.291 4.502 8.482 1.00 1.48 C ATOM 1490 CE1 TYR A 101 -7.491 4.362 8.241 1.00 1.88 C ATOM 1491 CE2 TYR A 101 -9.525 5.677 8.573 1.00 1.61 C ATOM 1492 CZ TYR A 101 -8.117 5.606 8.471 1.00 0.89 C ATOM 1493 OH TYR A 101 -7.356 6.723 8.637 1.00 1.23 O ATOM 0 H TYR A 101 -10.192 1.503 10.391 1.00 0.76 H new ATOM 0 HA TYR A 101 -12.282 2.731 8.907 1.00 0.73 H new ATOM 0 HB2 TYR A 101 -9.837 1.147 8.070 1.00 0.83 H new ATOM 0 HB3 TYR A 101 -10.876 2.022 6.964 1.00 0.83 H new ATOM 0 HD1 TYR A 101 -7.792 2.261 7.879 1.00 1.88 H new ATOM 0 HD2 TYR A 101 -11.361 4.545 8.626 1.00 1.48 H new ATOM 0 HE1 TYR A 101 -6.414 4.300 8.183 1.00 1.88 H new ATOM 0 HE2 TYR A 101 -10.010 6.630 8.720 1.00 1.61 H new ATOM 0 HH TYR A 101 -7.732 7.271 9.358 1.00 1.23 H new ATOM 1503 N LYS A 102 -13.623 0.992 7.813 1.00 0.98 N ATOM 1504 CA LYS A 102 -14.567 0.044 7.255 1.00 1.28 C ATOM 1505 C LYS A 102 -13.997 -0.551 5.968 1.00 1.09 C ATOM 1506 O LYS A 102 -14.308 -1.680 5.610 1.00 1.28 O ATOM 1507 CB LYS A 102 -15.906 0.741 6.975 1.00 1.80 C ATOM 1508 CG LYS A 102 -16.718 1.080 8.239 1.00 1.96 C ATOM 1509 CD LYS A 102 -16.596 2.525 8.752 1.00 2.75 C ATOM 1510 CE LYS A 102 -15.231 2.787 9.393 1.00 2.68 C ATOM 1511 NZ LYS A 102 -15.300 3.646 10.595 1.00 3.57 N ATOM 0 H LYS A 102 -13.869 1.962 7.615 1.00 0.98 H new ATOM 0 HA LYS A 102 -14.737 -0.760 7.971 1.00 1.28 H new ATOM 0 HB2 LYS A 102 -15.715 1.661 6.422 1.00 1.80 H new ATOM 0 HB3 LYS A 102 -16.508 0.101 6.331 1.00 1.80 H new ATOM 0 HG2 LYS A 102 -17.769 0.875 8.037 1.00 1.96 H new ATOM 0 HG3 LYS A 102 -16.409 0.405 9.037 1.00 1.96 H new ATOM 0 HD2 LYS A 102 -16.748 3.218 7.925 1.00 2.75 H new ATOM 0 HD3 LYS A 102 -17.383 2.720 9.480 1.00 2.75 H new ATOM 0 HE2 LYS A 102 -14.776 1.834 9.663 1.00 2.68 H new ATOM 0 HE3 LYS A 102 -14.577 3.256 8.658 1.00 2.68 H new ATOM 0 HZ1 LYS A 102 -14.529 3.394 11.246 1.00 3.57 H new ATOM 0 HZ2 LYS A 102 -15.205 4.643 10.315 1.00 3.57 H new ATOM 0 HZ3 LYS A 102 -16.214 3.505 11.070 1.00 3.57 H new ATOM 1525 N SER A 103 -13.177 0.226 5.268 1.00 0.92 N ATOM 1526 CA SER A 103 -12.432 -0.212 4.108 1.00 0.95 C ATOM 1527 C SER A 103 -11.304 0.795 3.911 1.00 0.89 C ATOM 1528 O SER A 103 -11.391 1.919 4.404 1.00 0.91 O ATOM 1529 CB SER A 103 -13.360 -0.257 2.889 1.00 1.33 C ATOM 1530 OG SER A 103 -14.095 0.949 2.774 1.00 1.69 O ATOM 0 H SER A 103 -13.012 1.205 5.504 1.00 0.92 H new ATOM 0 HA SER A 103 -12.023 -1.214 4.240 1.00 0.95 H new ATOM 0 HB2 SER A 103 -12.773 -0.419 1.985 1.00 1.33 H new ATOM 0 HB3 SER A 103 -14.046 -1.099 2.979 1.00 1.33 H new ATOM 0 HG SER A 103 -14.680 0.902 1.989 1.00 1.69 H new ATOM 1536 N VAL A 104 -10.264 0.416 3.179 1.00 0.90 N ATOM 1537 CA VAL A 104 -9.149 1.257 2.814 1.00 0.95 C ATOM 1538 C VAL A 104 -8.776 0.874 1.387 1.00 0.90 C ATOM 1539 O VAL A 104 -9.025 -0.273 1.018 1.00 0.84 O ATOM 1540 CB VAL A 104 -7.991 0.970 3.774 1.00 1.04 C ATOM 1541 CG1 VAL A 104 -8.193 1.680 5.111 1.00 1.68 C ATOM 1542 CG2 VAL A 104 -7.779 -0.521 4.075 1.00 2.45 C ATOM 0 H VAL A 104 -10.178 -0.531 2.810 1.00 0.90 H new ATOM 0 HA VAL A 104 -9.387 2.319 2.873 1.00 0.95 H new ATOM 0 HB VAL A 104 -7.110 1.344 3.252 1.00 1.04 H new ATOM 0 HG11 VAL A 104 -7.355 1.457 5.772 1.00 1.68 H new ATOM 0 HG12 VAL A 104 -8.249 2.756 4.947 1.00 1.68 H new ATOM 0 HG13 VAL A 104 -9.119 1.334 5.570 1.00 1.68 H new ATOM 0 HG21 VAL A 104 -6.941 -0.638 4.762 1.00 2.45 H new ATOM 0 HG22 VAL A 104 -8.680 -0.932 4.529 1.00 2.45 H new ATOM 0 HG23 VAL A 104 -7.565 -1.053 3.148 1.00 2.45 H new ATOM 1552 N ALA A 105 -8.191 1.783 0.599 1.00 0.96 N ATOM 1553 CA ALA A 105 -7.706 1.450 -0.732 1.00 0.89 C ATOM 1554 C ALA A 105 -6.210 1.149 -0.676 1.00 0.93 C ATOM 1555 O ALA A 105 -5.401 2.030 -0.383 1.00 0.98 O ATOM 1556 CB ALA A 105 -7.969 2.596 -1.705 1.00 0.92 C ATOM 0 H ALA A 105 -8.045 2.756 0.867 1.00 0.96 H new ATOM 0 HA ALA A 105 -8.240 0.568 -1.086 1.00 0.89 H new ATOM 0 HB1 ALA A 105 -7.599 2.326 -2.694 1.00 0.92 H new ATOM 0 HB2 ALA A 105 -9.040 2.789 -1.759 1.00 0.92 H new ATOM 0 HB3 ALA A 105 -7.456 3.493 -1.358 1.00 0.92 H new ATOM 1562 N ILE A 106 -5.846 -0.092 -0.994 1.00 0.99 N ATOM 1563 CA ILE A 106 -4.468 -0.563 -1.033 1.00 1.16 C ATOM 1564 C ILE A 106 -4.106 -0.830 -2.496 1.00 1.34 C ATOM 1565 O ILE A 106 -4.911 -1.409 -3.231 1.00 1.74 O ATOM 1566 CB ILE A 106 -4.257 -1.835 -0.176 1.00 1.52 C ATOM 1567 CG1 ILE A 106 -5.525 -2.692 -0.036 1.00 2.37 C ATOM 1568 CG2 ILE A 106 -3.686 -1.501 1.211 1.00 2.32 C ATOM 1569 CD1 ILE A 106 -6.460 -2.198 1.074 1.00 3.77 C ATOM 0 H ILE A 106 -6.522 -0.816 -1.238 1.00 0.99 H new ATOM 0 HA ILE A 106 -3.817 0.201 -0.607 1.00 1.16 H new ATOM 0 HB ILE A 106 -3.526 -2.432 -0.722 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -6.063 -2.693 -0.984 1.00 2.37 H new ATOM 0 HG13 ILE A 106 -5.239 -3.724 0.169 1.00 2.37 H new ATOM 0 HG21 ILE A 106 -3.553 -2.421 1.781 1.00 2.32 H new ATOM 0 HG22 ILE A 106 -2.724 -1.002 1.098 1.00 2.32 H new ATOM 0 HG23 ILE A 106 -4.376 -0.843 1.740 1.00 2.32 H new ATOM 0 HD11 ILE A 106 -7.337 -2.843 1.124 1.00 3.77 H new ATOM 0 HD12 ILE A 106 -5.936 -2.223 2.029 1.00 3.77 H new ATOM 0 HD13 ILE A 106 -6.773 -1.176 0.858 1.00 3.77 H new ATOM 1581 N PRO A 107 -2.913 -0.402 -2.931 1.00 1.20 N ATOM 1582 CA PRO A 107 -2.365 -0.732 -4.235 1.00 1.37 C ATOM 1583 C PRO A 107 -1.724 -2.128 -4.191 1.00 1.42 C ATOM 1584 O PRO A 107 -1.929 -2.888 -3.244 1.00 1.52 O ATOM 1585 CB PRO A 107 -1.346 0.386 -4.489 1.00 1.32 C ATOM 1586 CG PRO A 107 -0.791 0.663 -3.094 1.00 1.16 C ATOM 1587 CD PRO A 107 -2.009 0.466 -2.195 1.00 1.09 C ATOM 0 HA PRO A 107 -3.105 -0.782 -5.034 1.00 1.37 H new ATOM 0 HB2 PRO A 107 -0.564 0.071 -5.180 1.00 1.32 H new ATOM 0 HB3 PRO A 107 -1.815 1.270 -4.920 1.00 1.32 H new ATOM 0 HG2 PRO A 107 0.016 -0.023 -2.837 1.00 1.16 H new ATOM 0 HG3 PRO A 107 -0.388 1.673 -3.013 1.00 1.16 H new ATOM 0 HD2 PRO A 107 -1.724 0.016 -1.244 1.00 1.09 H new ATOM 0 HD3 PRO A 107 -2.484 1.420 -1.966 1.00 1.09 H new ATOM 1595 N LEU A 108 -0.917 -2.469 -5.200 1.00 1.56 N ATOM 1596 CA LEU A 108 -0.173 -3.716 -5.268 1.00 1.69 C ATOM 1597 C LEU A 108 1.303 -3.378 -5.394 1.00 1.60 C ATOM 1598 O LEU A 108 1.683 -2.491 -6.154 1.00 1.60 O ATOM 1599 CB LEU A 108 -0.617 -4.556 -6.470 1.00 1.99 C ATOM 1600 CG LEU A 108 -1.774 -5.511 -6.156 1.00 2.03 C ATOM 1601 CD1 LEU A 108 -2.107 -6.254 -7.450 1.00 2.52 C ATOM 1602 CD2 LEU A 108 -1.388 -6.545 -5.092 1.00 2.11 C ATOM 0 H LEU A 108 -0.764 -1.866 -6.008 1.00 1.56 H new ATOM 0 HA LEU A 108 -0.359 -4.300 -4.367 1.00 1.69 H new ATOM 0 HB2 LEU A 108 -0.916 -3.889 -7.278 1.00 1.99 H new ATOM 0 HB3 LEU A 108 0.233 -5.135 -6.832 1.00 1.99 H new ATOM 0 HG LEU A 108 -2.618 -4.936 -5.774 1.00 2.03 H new ATOM 0 HD11 LEU A 108 -2.929 -6.947 -7.270 1.00 2.52 H new ATOM 0 HD12 LEU A 108 -2.399 -5.536 -8.217 1.00 2.52 H new ATOM 0 HD13 LEU A 108 -1.231 -6.809 -7.787 1.00 2.52 H new ATOM 0 HD21 LEU A 108 -2.236 -7.202 -4.899 1.00 2.11 H new ATOM 0 HD22 LEU A 108 -0.544 -7.136 -5.448 1.00 2.11 H new ATOM 0 HD23 LEU A 108 -1.109 -6.033 -4.171 1.00 2.11 H new ATOM 1614 N LEU A 109 2.120 -4.076 -4.611 1.00 1.69 N ATOM 1615 CA LEU A 109 3.561 -3.915 -4.534 1.00 1.68 C ATOM 1616 C LEU A 109 4.195 -5.283 -4.279 1.00 1.33 C ATOM 1617 O LEU A 109 3.477 -6.274 -4.171 1.00 1.23 O ATOM 1618 CB LEU A 109 3.899 -2.879 -3.452 1.00 1.95 C ATOM 1619 CG LEU A 109 3.127 -3.064 -2.128 1.00 1.72 C ATOM 1620 CD1 LEU A 109 4.083 -3.241 -0.947 1.00 2.65 C ATOM 1621 CD2 LEU A 109 2.231 -1.848 -1.885 1.00 2.18 C ATOM 0 H LEU A 109 1.775 -4.803 -3.985 1.00 1.69 H new ATOM 0 HA LEU A 109 3.970 -3.536 -5.471 1.00 1.68 H new ATOM 0 HB2 LEU A 109 4.968 -2.924 -3.244 1.00 1.95 H new ATOM 0 HB3 LEU A 109 3.692 -1.883 -3.843 1.00 1.95 H new ATOM 0 HG LEU A 109 2.519 -3.965 -2.211 1.00 1.72 H new ATOM 0 HD11 LEU A 109 3.508 -3.369 -0.030 1.00 2.65 H new ATOM 0 HD12 LEU A 109 4.705 -4.121 -1.111 1.00 2.65 H new ATOM 0 HD13 LEU A 109 4.718 -2.359 -0.857 1.00 2.65 H new ATOM 0 HD21 LEU A 109 1.686 -1.979 -0.950 1.00 2.18 H new ATOM 0 HD22 LEU A 109 2.845 -0.950 -1.824 1.00 2.18 H new ATOM 0 HD23 LEU A 109 1.522 -1.748 -2.707 1.00 2.18 H new ATOM 1633 N SER A 110 5.527 -5.336 -4.157 1.00 1.33 N ATOM 1634 CA SER A 110 6.270 -6.574 -3.924 1.00 1.30 C ATOM 1635 C SER A 110 6.020 -7.586 -5.044 1.00 1.52 C ATOM 1636 O SER A 110 5.689 -8.749 -4.813 1.00 1.85 O ATOM 1637 CB SER A 110 5.943 -7.101 -2.527 1.00 1.35 C ATOM 1638 OG SER A 110 6.711 -8.236 -2.208 1.00 2.43 O ATOM 0 H SER A 110 6.123 -4.510 -4.218 1.00 1.33 H new ATOM 0 HA SER A 110 7.342 -6.381 -3.951 1.00 1.30 H new ATOM 0 HB2 SER A 110 6.126 -6.319 -1.790 1.00 1.35 H new ATOM 0 HB3 SER A 110 4.883 -7.350 -2.471 1.00 1.35 H new ATOM 0 HG SER A 110 7.594 -8.162 -2.626 1.00 2.43 H new ATOM 1644 N THR A 111 6.225 -7.120 -6.276 1.00 1.71 N ATOM 1645 CA THR A 111 5.991 -7.864 -7.497 1.00 1.94 C ATOM 1646 C THR A 111 7.191 -7.659 -8.421 1.00 2.54 C ATOM 1647 O THR A 111 8.114 -8.468 -8.427 1.00 4.01 O ATOM 1648 CB THR A 111 4.675 -7.364 -8.110 1.00 1.95 C ATOM 1649 OG1 THR A 111 4.632 -5.949 -7.999 1.00 2.60 O ATOM 1650 CG2 THR A 111 3.467 -7.962 -7.388 1.00 1.33 C ATOM 0 H THR A 111 6.572 -6.177 -6.449 1.00 1.71 H new ATOM 0 HA THR A 111 5.892 -8.935 -7.320 1.00 1.94 H new ATOM 0 HB THR A 111 4.635 -7.672 -9.155 1.00 1.95 H new ATOM 0 HG1 THR A 111 4.552 -5.553 -8.892 1.00 2.60 H new ATOM 0 HG21 THR A 111 2.550 -7.590 -7.844 1.00 1.33 H new ATOM 0 HG22 THR A 111 3.497 -9.049 -7.468 1.00 1.33 H new ATOM 0 HG23 THR A 111 3.492 -7.674 -6.337 1.00 1.33 H new ATOM 1658 N GLY A 112 7.220 -6.549 -9.164 1.00 2.19 N ATOM 1659 CA GLY A 112 8.268 -6.253 -10.133 1.00 2.66 C ATOM 1660 C GLY A 112 8.715 -4.807 -9.990 1.00 1.79 C ATOM 1661 O GLY A 112 8.780 -4.068 -10.966 1.00 2.18 O ATOM 0 H GLY A 112 6.505 -5.824 -9.105 1.00 2.19 H new ATOM 0 HA2 GLY A 112 9.116 -6.921 -9.980 1.00 2.66 H new ATOM 0 HA3 GLY A 112 7.901 -6.430 -11.144 1.00 2.66 H new ATOM 1665 N ILE A 113 9.004 -4.405 -8.754 1.00 1.61 N ATOM 1666 CA ILE A 113 9.465 -3.061 -8.425 1.00 1.05 C ATOM 1667 C ILE A 113 10.219 -3.113 -7.098 1.00 0.93 C ATOM 1668 O ILE A 113 11.323 -2.581 -6.989 1.00 1.26 O ATOM 1669 CB ILE A 113 8.282 -2.063 -8.442 1.00 1.84 C ATOM 1670 CG1 ILE A 113 8.653 -0.640 -7.983 1.00 1.51 C ATOM 1671 CG2 ILE A 113 7.076 -2.537 -7.612 1.00 3.16 C ATOM 1672 CD1 ILE A 113 9.866 -0.048 -8.706 1.00 2.29 C ATOM 0 H ILE A 113 8.923 -5.015 -7.941 1.00 1.61 H new ATOM 0 HA ILE A 113 10.162 -2.692 -9.177 1.00 1.05 H new ATOM 0 HB ILE A 113 8.007 -2.027 -9.496 1.00 1.84 H new ATOM 0 HG12 ILE A 113 7.796 0.015 -8.137 1.00 1.51 H new ATOM 0 HG13 ILE A 113 8.854 -0.656 -6.912 1.00 1.51 H new ATOM 0 HG21 ILE A 113 6.282 -1.792 -7.666 1.00 3.16 H new ATOM 0 HG22 ILE A 113 6.712 -3.485 -8.008 1.00 3.16 H new ATOM 0 HG23 ILE A 113 7.379 -2.670 -6.573 1.00 3.16 H new ATOM 0 HD11 ILE A 113 10.062 0.955 -8.326 1.00 2.29 H new ATOM 0 HD12 ILE A 113 10.737 -0.679 -8.531 1.00 2.29 H new ATOM 0 HD13 ILE A 113 9.663 0.002 -9.776 1.00 2.29 H new ATOM 1684 N PHE A 114 9.661 -3.776 -6.079 1.00 0.77 N ATOM 1685 CA PHE A 114 10.317 -3.824 -4.792 1.00 0.67 C ATOM 1686 C PHE A 114 11.119 -5.104 -4.692 1.00 0.62 C ATOM 1687 O PHE A 114 12.320 -5.051 -4.441 1.00 0.64 O ATOM 1688 CB PHE A 114 9.305 -3.623 -3.664 1.00 0.79 C ATOM 1689 CG PHE A 114 8.622 -2.266 -3.614 1.00 0.87 C ATOM 1690 CD1 PHE A 114 9.102 -1.157 -4.342 1.00 1.65 C ATOM 1691 CD2 PHE A 114 7.491 -2.110 -2.797 1.00 2.09 C ATOM 1692 CE1 PHE A 114 8.440 0.081 -4.276 1.00 1.76 C ATOM 1693 CE2 PHE A 114 6.815 -0.880 -2.749 1.00 2.27 C ATOM 1694 CZ PHE A 114 7.287 0.216 -3.491 1.00 1.38 C ATOM 0 H PHE A 114 8.773 -4.275 -6.129 1.00 0.77 H new ATOM 0 HA PHE A 114 11.025 -3.002 -4.688 1.00 0.67 H new ATOM 0 HB2 PHE A 114 8.537 -4.391 -3.751 1.00 0.79 H new ATOM 0 HB3 PHE A 114 9.813 -3.787 -2.714 1.00 0.79 H new ATOM 0 HD1 PHE A 114 9.985 -1.260 -4.955 1.00 1.65 H new ATOM 0 HD2 PHE A 114 7.139 -2.940 -2.202 1.00 2.09 H new ATOM 0 HE1 PHE A 114 8.819 0.927 -4.830 1.00 1.76 H new ATOM 0 HE2 PHE A 114 5.929 -0.776 -2.140 1.00 2.27 H new ATOM 0 HZ PHE A 114 6.763 1.160 -3.456 1.00 1.38 H new ATOM 1704 N SER A 115 10.479 -6.250 -4.897 1.00 0.71 N ATOM 1705 CA SER A 115 11.152 -7.520 -4.737 1.00 0.85 C ATOM 1706 C SER A 115 12.102 -7.864 -5.885 1.00 0.78 C ATOM 1707 O SER A 115 13.200 -8.349 -5.641 1.00 0.93 O ATOM 1708 CB SER A 115 10.108 -8.602 -4.525 1.00 1.26 C ATOM 1709 OG SER A 115 9.524 -8.375 -3.265 1.00 2.68 O ATOM 0 H SER A 115 9.499 -6.319 -5.173 1.00 0.71 H new ATOM 0 HA SER A 115 11.797 -7.448 -3.861 1.00 0.85 H new ATOM 0 HB2 SER A 115 9.353 -8.568 -5.311 1.00 1.26 H new ATOM 0 HB3 SER A 115 10.565 -9.591 -4.565 1.00 1.26 H new ATOM 0 HG SER A 115 9.631 -9.173 -2.706 1.00 2.68 H new ATOM 1715 N GLY A 116 11.691 -7.623 -7.132 1.00 1.09 N ATOM 1716 CA GLY A 116 12.496 -7.803 -8.339 1.00 1.20 C ATOM 1717 C GLY A 116 13.342 -9.079 -8.363 1.00 1.47 C ATOM 1718 O GLY A 116 14.482 -9.033 -8.815 1.00 2.74 O ATOM 0 H GLY A 116 10.751 -7.284 -7.335 1.00 1.09 H new ATOM 0 HA2 GLY A 116 11.832 -7.808 -9.204 1.00 1.20 H new ATOM 0 HA3 GLY A 116 13.157 -6.943 -8.449 1.00 1.20 H new ATOM 1722 N ASN A 117 12.810 -10.211 -7.891 1.00 1.62 N ATOM 1723 CA ASN A 117 13.564 -11.463 -7.812 1.00 2.69 C ATOM 1724 C ASN A 117 12.606 -12.616 -7.541 1.00 2.25 C ATOM 1725 O ASN A 117 12.422 -13.517 -8.360 1.00 2.45 O ATOM 1726 CB ASN A 117 14.588 -11.395 -6.660 1.00 4.33 C ATOM 1727 CG ASN A 117 16.010 -11.157 -7.147 1.00 5.67 C ATOM 1728 OD1 ASN A 117 16.459 -11.804 -8.085 1.00 5.95 O ATOM 1729 ND2 ASN A 117 16.761 -10.286 -6.484 1.00 7.17 N ATOM 0 H ASN A 117 11.850 -10.284 -7.555 1.00 1.62 H new ATOM 0 HA ASN A 117 14.085 -11.618 -8.757 1.00 2.69 H new ATOM 0 HB2 ASN A 117 14.305 -10.596 -5.975 1.00 4.33 H new ATOM 0 HB3 ASN A 117 14.554 -12.326 -6.094 1.00 4.33 H new ATOM 0 HD21 ASN A 117 17.735 -10.144 -6.753 1.00 7.17 H new ATOM 0 HD22 ASN A 117 16.364 -9.759 -5.706 1.00 7.17 H new ATOM 1736 N LYS A 118 12.015 -12.594 -6.349 1.00 2.81 N ATOM 1737 CA LYS A 118 11.111 -13.606 -5.834 1.00 2.79 C ATOM 1738 C LYS A 118 9.965 -12.866 -5.155 1.00 2.57 C ATOM 1739 O LYS A 118 9.923 -11.641 -5.226 1.00 3.22 O ATOM 1740 CB LYS A 118 11.884 -14.537 -4.876 1.00 3.41 C ATOM 1741 CG LYS A 118 12.625 -15.637 -5.648 1.00 3.69 C ATOM 1742 CD LYS A 118 11.628 -16.660 -6.217 1.00 4.19 C ATOM 1743 CE LYS A 118 11.891 -16.956 -7.698 1.00 4.48 C ATOM 1744 NZ LYS A 118 12.855 -18.062 -7.887 1.00 4.95 N ATOM 0 H LYS A 118 12.164 -11.831 -5.688 1.00 2.81 H new ATOM 0 HA LYS A 118 10.702 -14.244 -6.617 1.00 2.79 H new ATOM 0 HB2 LYS A 118 12.598 -13.953 -4.295 1.00 3.41 H new ATOM 0 HB3 LYS A 118 11.191 -14.990 -4.167 1.00 3.41 H new ATOM 0 HG2 LYS A 118 13.203 -15.194 -6.459 1.00 3.69 H new ATOM 0 HG3 LYS A 118 13.333 -16.138 -4.988 1.00 3.69 H new ATOM 0 HD2 LYS A 118 11.693 -17.586 -5.645 1.00 4.19 H new ATOM 0 HD3 LYS A 118 10.613 -16.282 -6.098 1.00 4.19 H new ATOM 0 HE2 LYS A 118 10.951 -17.209 -8.188 1.00 4.48 H new ATOM 0 HE3 LYS A 118 12.272 -16.058 -8.184 1.00 4.48 H new ATOM 0 HZ1 LYS A 118 13.001 -18.225 -8.904 1.00 4.95 H new ATOM 0 HZ2 LYS A 118 13.762 -17.812 -7.443 1.00 4.95 H new ATOM 0 HZ3 LYS A 118 12.481 -18.927 -7.447 1.00 4.95 H new ATOM 1758 N ASP A 119 9.046 -13.610 -4.540 1.00 2.57 N ATOM 1759 CA ASP A 119 7.838 -13.094 -3.900 1.00 2.25 C ATOM 1760 C ASP A 119 6.855 -12.683 -4.994 1.00 1.66 C ATOM 1761 O ASP A 119 7.261 -12.370 -6.111 1.00 1.75 O ATOM 1762 CB ASP A 119 8.091 -11.920 -2.934 1.00 2.57 C ATOM 1763 CG ASP A 119 9.411 -11.995 -2.166 1.00 3.77 C ATOM 1764 OD1 ASP A 119 10.002 -10.907 -1.974 1.00 4.97 O ATOM 1765 OD2 ASP A 119 9.820 -13.129 -1.832 1.00 4.39 O ATOM 0 H ASP A 119 9.126 -14.625 -4.472 1.00 2.57 H new ATOM 0 HA ASP A 119 7.430 -13.891 -3.279 1.00 2.25 H new ATOM 0 HB2 ASP A 119 8.069 -10.990 -3.502 1.00 2.57 H new ATOM 0 HB3 ASP A 119 7.272 -11.875 -2.217 1.00 2.57 H new ATOM 1770 N ARG A 120 5.550 -12.703 -4.713 1.00 1.52 N ATOM 1771 CA ARG A 120 4.555 -12.237 -5.672 1.00 1.35 C ATOM 1772 C ARG A 120 3.365 -11.667 -4.925 1.00 1.25 C ATOM 1773 O ARG A 120 3.283 -11.759 -3.703 1.00 1.24 O ATOM 1774 CB ARG A 120 4.129 -13.361 -6.640 1.00 1.81 C ATOM 1775 CG ARG A 120 5.263 -13.670 -7.622 1.00 1.89 C ATOM 1776 CD ARG A 120 4.803 -14.340 -8.913 1.00 2.48 C ATOM 1777 NE ARG A 120 5.922 -14.335 -9.866 1.00 2.95 N ATOM 1778 CZ ARG A 120 5.827 -14.279 -11.199 1.00 3.84 C ATOM 1779 NH1 ARG A 120 6.926 -14.093 -11.933 1.00 4.84 N ATOM 1780 NH2 ARG A 120 4.641 -14.401 -11.795 1.00 4.26 N ATOM 0 H ARG A 120 5.162 -13.037 -3.831 1.00 1.52 H new ATOM 0 HA ARG A 120 4.998 -11.451 -6.284 1.00 1.35 H new ATOM 0 HB2 ARG A 120 3.871 -14.258 -6.077 1.00 1.81 H new ATOM 0 HB3 ARG A 120 3.236 -13.061 -7.187 1.00 1.81 H new ATOM 0 HG2 ARG A 120 5.777 -12.742 -7.870 1.00 1.89 H new ATOM 0 HG3 ARG A 120 5.990 -14.315 -7.129 1.00 1.89 H new ATOM 0 HD2 ARG A 120 4.479 -15.362 -8.715 1.00 2.48 H new ATOM 0 HD3 ARG A 120 3.947 -13.810 -9.331 1.00 2.48 H new ATOM 0 HE ARG A 120 6.862 -14.378 -9.473 1.00 2.95 H new ATOM 0 HH11 ARG A 120 7.833 -13.994 -11.477 1.00 4.84 H new ATOM 0 HH12 ARG A 120 6.859 -14.050 -12.950 1.00 4.84 H new ATOM 0 HH21 ARG A 120 3.800 -14.538 -11.234 1.00 4.26 H new ATOM 0 HH22 ARG A 120 4.574 -14.358 -12.812 1.00 4.26 H new ATOM 1794 N LEU A 121 2.403 -11.133 -5.674 1.00 1.19 N ATOM 1795 CA LEU A 121 1.227 -10.504 -5.103 1.00 1.10 C ATOM 1796 C LEU A 121 0.369 -11.532 -4.417 1.00 1.03 C ATOM 1797 O LEU A 121 -0.210 -11.260 -3.399 1.00 1.00 O ATOM 1798 CB LEU A 121 0.409 -9.735 -6.140 1.00 1.11 C ATOM 1799 CG LEU A 121 -0.112 -10.555 -7.338 1.00 1.21 C ATOM 1800 CD1 LEU A 121 -1.559 -11.019 -7.141 1.00 1.75 C ATOM 1801 CD2 LEU A 121 -0.068 -9.711 -8.612 1.00 1.43 C ATOM 0 H LEU A 121 2.422 -11.127 -6.694 1.00 1.19 H new ATOM 0 HA LEU A 121 1.577 -9.776 -4.372 1.00 1.10 H new ATOM 0 HB2 LEU A 121 -0.445 -9.283 -5.636 1.00 1.11 H new ATOM 0 HB3 LEU A 121 1.021 -8.919 -6.523 1.00 1.11 H new ATOM 0 HG LEU A 121 0.535 -11.429 -7.419 1.00 1.21 H new ATOM 0 HD11 LEU A 121 -1.879 -11.592 -8.011 1.00 1.75 H new ATOM 0 HD12 LEU A 121 -1.622 -11.645 -6.251 1.00 1.75 H new ATOM 0 HD13 LEU A 121 -2.206 -10.150 -7.020 1.00 1.75 H new ATOM 0 HD21 LEU A 121 -0.438 -10.300 -9.451 1.00 1.43 H new ATOM 0 HD22 LEU A 121 -0.693 -8.827 -8.485 1.00 1.43 H new ATOM 0 HD23 LEU A 121 0.959 -9.403 -8.809 1.00 1.43 H new ATOM 1813 N THR A 122 0.287 -12.744 -4.921 1.00 1.04 N ATOM 1814 CA THR A 122 -0.406 -13.813 -4.245 1.00 1.01 C ATOM 1815 C THR A 122 0.143 -14.035 -2.835 1.00 1.01 C ATOM 1816 O THR A 122 -0.607 -14.479 -1.970 1.00 1.01 O ATOM 1817 CB THR A 122 -0.296 -15.030 -5.164 1.00 1.06 C ATOM 1818 OG1 THR A 122 -1.270 -14.918 -6.177 1.00 1.34 O ATOM 1819 CG2 THR A 122 -0.483 -16.363 -4.450 1.00 1.21 C ATOM 0 H THR A 122 0.701 -13.014 -5.813 1.00 1.04 H new ATOM 0 HA THR A 122 -1.458 -13.582 -4.074 1.00 1.01 H new ATOM 0 HB THR A 122 0.717 -15.031 -5.566 1.00 1.06 H new ATOM 0 HG1 THR A 122 -1.210 -15.692 -6.776 1.00 1.34 H new ATOM 0 HG21 THR A 122 -0.391 -17.177 -5.169 1.00 1.21 H new ATOM 0 HG22 THR A 122 0.279 -16.472 -3.678 1.00 1.21 H new ATOM 0 HG23 THR A 122 -1.471 -16.394 -3.991 1.00 1.21 H new ATOM 1827 N GLN A 123 1.412 -13.703 -2.574 1.00 1.05 N ATOM 1828 CA GLN A 123 1.929 -13.773 -1.216 1.00 1.07 C ATOM 1829 C GLN A 123 1.644 -12.474 -0.462 1.00 0.94 C ATOM 1830 O GLN A 123 1.041 -12.508 0.607 1.00 0.89 O ATOM 1831 CB GLN A 123 3.413 -14.152 -1.195 1.00 1.30 C ATOM 1832 CG GLN A 123 3.607 -15.539 -1.835 1.00 1.42 C ATOM 1833 CD GLN A 123 4.757 -16.328 -1.210 1.00 1.70 C ATOM 1834 OE1 GLN A 123 4.893 -16.392 0.002 1.00 2.97 O ATOM 1835 NE2 GLN A 123 5.581 -16.988 -2.011 1.00 2.13 N ATOM 0 H GLN A 123 2.084 -13.390 -3.275 1.00 1.05 H new ATOM 0 HA GLN A 123 1.404 -14.572 -0.692 1.00 1.07 H new ATOM 0 HB2 GLN A 123 3.996 -13.407 -1.737 1.00 1.30 H new ATOM 0 HB3 GLN A 123 3.781 -14.160 -0.169 1.00 1.30 H new ATOM 0 HG2 GLN A 123 2.685 -16.111 -1.736 1.00 1.42 H new ATOM 0 HG3 GLN A 123 3.794 -15.418 -2.902 1.00 1.42 H new ATOM 0 HE21 GLN A 123 5.463 -16.931 -3.023 1.00 2.13 H new ATOM 0 HE22 GLN A 123 6.333 -17.553 -1.616 1.00 2.13 H new ATOM 1844 N SER A 124 2.019 -11.314 -1.008 1.00 0.95 N ATOM 1845 CA SER A 124 1.835 -10.046 -0.310 1.00 0.88 C ATOM 1846 C SER A 124 0.368 -9.805 0.013 1.00 0.75 C ATOM 1847 O SER A 124 0.039 -9.284 1.071 1.00 0.72 O ATOM 1848 CB SER A 124 2.389 -8.896 -1.151 1.00 0.94 C ATOM 1849 OG SER A 124 3.772 -8.795 -0.917 1.00 1.46 O ATOM 0 H SER A 124 2.450 -11.230 -1.929 1.00 0.95 H new ATOM 0 HA SER A 124 2.383 -10.094 0.631 1.00 0.88 H new ATOM 0 HB2 SER A 124 2.196 -9.074 -2.209 1.00 0.94 H new ATOM 0 HB3 SER A 124 1.892 -7.962 -0.889 1.00 0.94 H new ATOM 0 HG SER A 124 3.979 -7.908 -0.556 1.00 1.46 H new ATOM 1855 N LEU A 125 -0.523 -10.181 -0.893 1.00 0.72 N ATOM 1856 CA LEU A 125 -1.958 -10.060 -0.741 1.00 0.70 C ATOM 1857 C LEU A 125 -2.420 -10.973 0.368 1.00 0.70 C ATOM 1858 O LEU A 125 -3.338 -10.632 1.096 1.00 0.70 O ATOM 1859 CB LEU A 125 -2.702 -10.309 -2.071 1.00 0.77 C ATOM 1860 CG LEU A 125 -3.233 -11.738 -2.292 1.00 1.11 C ATOM 1861 CD1 LEU A 125 -4.503 -12.058 -1.493 1.00 1.05 C ATOM 1862 CD2 LEU A 125 -3.585 -11.877 -3.766 1.00 2.58 C ATOM 0 H LEU A 125 -0.252 -10.593 -1.786 1.00 0.72 H new ATOM 0 HA LEU A 125 -2.203 -9.035 -0.462 1.00 0.70 H new ATOM 0 HB2 LEU A 125 -3.543 -9.618 -2.129 1.00 0.77 H new ATOM 0 HB3 LEU A 125 -2.029 -10.062 -2.892 1.00 0.77 H new ATOM 0 HG LEU A 125 -2.453 -12.423 -1.960 1.00 1.11 H new ATOM 0 HD11 LEU A 125 -4.816 -13.081 -1.701 1.00 1.05 H new ATOM 0 HD12 LEU A 125 -4.299 -11.950 -0.428 1.00 1.05 H new ATOM 0 HD13 LEU A 125 -5.298 -11.370 -1.782 1.00 1.05 H new ATOM 0 HD21 LEU A 125 -3.965 -12.881 -3.956 1.00 2.58 H new ATOM 0 HD22 LEU A 125 -4.348 -11.144 -4.029 1.00 2.58 H new ATOM 0 HD23 LEU A 125 -2.694 -11.706 -4.370 1.00 2.58 H new ATOM 1874 N ASN A 126 -1.794 -12.138 0.500 1.00 0.78 N ATOM 1875 CA ASN A 126 -2.120 -13.063 1.573 1.00 0.87 C ATOM 1876 C ASN A 126 -1.800 -12.449 2.925 1.00 0.85 C ATOM 1877 O ASN A 126 -2.576 -12.522 3.874 1.00 0.91 O ATOM 1878 CB ASN A 126 -1.335 -14.370 1.419 1.00 0.94 C ATOM 1879 CG ASN A 126 -2.182 -15.536 1.888 1.00 1.23 C ATOM 1880 OD1 ASN A 126 -2.220 -15.860 3.066 1.00 2.02 O ATOM 1881 ND2 ASN A 126 -2.901 -16.170 0.972 1.00 2.24 N ATOM 0 H ASN A 126 -1.057 -12.462 -0.126 1.00 0.78 H new ATOM 0 HA ASN A 126 -3.188 -13.274 1.515 1.00 0.87 H new ATOM 0 HB2 ASN A 126 -1.049 -14.512 0.377 1.00 0.94 H new ATOM 0 HB3 ASN A 126 -0.413 -14.322 1.999 1.00 0.94 H new ATOM 0 HD21 ASN A 126 -3.503 -16.947 1.244 1.00 2.24 H new ATOM 0 HD22 ASN A 126 -2.852 -15.881 -0.005 1.00 2.24 H new ATOM 1888 N HIS A 127 -0.634 -11.828 3.029 1.00 0.80 N ATOM 1889 CA HIS A 127 -0.220 -11.257 4.299 1.00 0.81 C ATOM 1890 C HIS A 127 -1.024 -9.996 4.564 1.00 0.77 C ATOM 1891 O HIS A 127 -1.357 -9.691 5.705 1.00 0.79 O ATOM 1892 CB HIS A 127 1.279 -10.983 4.258 1.00 0.84 C ATOM 1893 CG HIS A 127 2.089 -12.240 4.094 1.00 0.97 C ATOM 1894 ND1 HIS A 127 2.138 -13.302 4.970 1.00 1.22 N ATOM 1895 CD2 HIS A 127 2.873 -12.549 3.017 1.00 0.96 C ATOM 1896 CE1 HIS A 127 2.940 -14.232 4.423 1.00 1.35 C ATOM 1897 NE2 HIS A 127 3.405 -13.820 3.233 1.00 1.18 N ATOM 0 H HIS A 127 0.030 -11.709 2.264 1.00 0.80 H new ATOM 0 HA HIS A 127 -0.410 -11.952 5.117 1.00 0.81 H new ATOM 0 HB2 HIS A 127 1.499 -10.303 3.435 1.00 0.84 H new ATOM 0 HB3 HIS A 127 1.578 -10.479 5.177 1.00 0.84 H new ATOM 0 HD2 HIS A 127 3.048 -11.922 2.155 1.00 0.96 H new ATOM 0 HE1 HIS A 127 3.178 -15.182 4.879 1.00 1.35 H new ATOM 0 HE2 HIS A 127 4.026 -14.335 2.609 1.00 1.18 H new ATOM 1905 N LEU A 128 -1.390 -9.289 3.499 1.00 0.76 N ATOM 1906 CA LEU A 128 -2.142 -8.055 3.571 1.00 0.78 C ATOM 1907 C LEU A 128 -3.548 -8.348 4.059 1.00 0.82 C ATOM 1908 O LEU A 128 -4.039 -7.675 4.954 1.00 0.88 O ATOM 1909 CB LEU A 128 -2.094 -7.392 2.188 1.00 0.86 C ATOM 1910 CG LEU A 128 -2.914 -6.109 2.059 1.00 0.96 C ATOM 1911 CD1 LEU A 128 -2.188 -5.104 1.160 1.00 1.96 C ATOM 1912 CD2 LEU A 128 -4.277 -6.405 1.424 1.00 1.13 C ATOM 0 H LEU A 128 -1.164 -9.570 2.545 1.00 0.76 H new ATOM 0 HA LEU A 128 -1.714 -7.355 4.288 1.00 0.78 H new ATOM 0 HB2 LEU A 128 -1.055 -7.168 1.945 1.00 0.86 H new ATOM 0 HB3 LEU A 128 -2.448 -8.108 1.446 1.00 0.86 H new ATOM 0 HG LEU A 128 -3.046 -5.698 3.060 1.00 0.96 H new ATOM 0 HD11 LEU A 128 -2.783 -4.195 1.076 1.00 1.96 H new ATOM 0 HD12 LEU A 128 -1.217 -4.864 1.593 1.00 1.96 H new ATOM 0 HD13 LEU A 128 -2.047 -5.537 0.170 1.00 1.96 H new ATOM 0 HD21 LEU A 128 -4.848 -5.480 1.340 1.00 1.13 H new ATOM 0 HD22 LEU A 128 -4.131 -6.833 0.432 1.00 1.13 H new ATOM 0 HD23 LEU A 128 -4.823 -7.113 2.048 1.00 1.13 H new ATOM 1924 N LEU A 129 -4.194 -9.374 3.512 1.00 0.85 N ATOM 1925 CA LEU A 129 -5.510 -9.787 3.956 1.00 1.03 C ATOM 1926 C LEU A 129 -5.434 -10.387 5.341 1.00 1.04 C ATOM 1927 O LEU A 129 -6.392 -10.269 6.084 1.00 1.16 O ATOM 1928 CB LEU A 129 -6.192 -10.724 2.948 1.00 1.16 C ATOM 1929 CG LEU A 129 -5.707 -12.184 2.874 1.00 2.00 C ATOM 1930 CD1 LEU A 129 -6.163 -13.093 4.025 1.00 3.08 C ATOM 1931 CD2 LEU A 129 -6.262 -12.835 1.611 1.00 3.13 C ATOM 0 H LEU A 129 -3.816 -9.938 2.751 1.00 0.85 H new ATOM 0 HA LEU A 129 -6.142 -8.901 4.013 1.00 1.03 H new ATOM 0 HB2 LEU A 129 -7.258 -10.738 3.174 1.00 1.16 H new ATOM 0 HB3 LEU A 129 -6.081 -10.285 1.956 1.00 1.16 H new ATOM 0 HG LEU A 129 -4.620 -12.105 2.908 1.00 2.00 H new ATOM 0 HD11 LEU A 129 -5.766 -14.097 3.875 1.00 3.08 H new ATOM 0 HD12 LEU A 129 -5.795 -12.695 4.971 1.00 3.08 H new ATOM 0 HD13 LEU A 129 -7.252 -13.133 4.048 1.00 3.08 H new ATOM 0 HD21 LEU A 129 -5.921 -13.869 1.555 1.00 3.13 H new ATOM 0 HD22 LEU A 129 -7.351 -12.813 1.639 1.00 3.13 H new ATOM 0 HD23 LEU A 129 -5.911 -12.289 0.736 1.00 3.13 H new ATOM 1943 N THR A 130 -4.316 -11.000 5.726 1.00 0.97 N ATOM 1944 CA THR A 130 -4.219 -11.550 7.073 1.00 1.04 C ATOM 1945 C THR A 130 -4.148 -10.389 8.055 1.00 1.01 C ATOM 1946 O THR A 130 -4.706 -10.426 9.147 1.00 1.10 O ATOM 1947 CB THR A 130 -3.007 -12.486 7.176 1.00 1.04 C ATOM 1948 OG1 THR A 130 -3.250 -13.640 6.404 1.00 1.15 O ATOM 1949 CG2 THR A 130 -2.737 -12.954 8.606 1.00 1.16 C ATOM 0 H THR A 130 -3.488 -11.126 5.143 1.00 0.97 H new ATOM 0 HA THR A 130 -5.095 -12.153 7.314 1.00 1.04 H new ATOM 0 HB THR A 130 -2.144 -11.920 6.824 1.00 1.04 H new ATOM 0 HG1 THR A 130 -3.068 -13.447 5.461 1.00 1.15 H new ATOM 0 HG21 THR A 130 -1.869 -13.613 8.615 1.00 1.16 H new ATOM 0 HG22 THR A 130 -2.544 -12.090 9.241 1.00 1.16 H new ATOM 0 HG23 THR A 130 -3.606 -13.494 8.982 1.00 1.16 H new ATOM 1957 N ALA A 131 -3.471 -9.324 7.648 1.00 0.93 N ATOM 1958 CA ALA A 131 -3.325 -8.144 8.468 1.00 0.96 C ATOM 1959 C ALA A 131 -4.641 -7.374 8.551 1.00 1.10 C ATOM 1960 O ALA A 131 -4.993 -6.843 9.601 1.00 1.25 O ATOM 1961 CB ALA A 131 -2.174 -7.326 7.877 1.00 0.87 C ATOM 0 H ALA A 131 -3.011 -9.260 6.740 1.00 0.93 H new ATOM 0 HA ALA A 131 -3.083 -8.398 9.500 1.00 0.96 H new ATOM 0 HB1 ALA A 131 -2.029 -6.422 8.468 1.00 0.87 H new ATOM 0 HB2 ALA A 131 -1.260 -7.920 7.892 1.00 0.87 H new ATOM 0 HB3 ALA A 131 -2.412 -7.053 6.849 1.00 0.87 H new ATOM 1967 N LEU A 132 -5.381 -7.317 7.448 1.00 1.08 N ATOM 1968 CA LEU A 132 -6.626 -6.561 7.365 1.00 1.24 C ATOM 1969 C LEU A 132 -7.811 -7.407 7.836 1.00 1.36 C ATOM 1970 O LEU A 132 -8.871 -6.862 8.141 1.00 1.50 O ATOM 1971 CB LEU A 132 -6.785 -6.012 5.939 1.00 1.27 C ATOM 1972 CG LEU A 132 -5.761 -4.876 5.731 1.00 1.83 C ATOM 1973 CD1 LEU A 132 -5.291 -4.717 4.288 1.00 2.35 C ATOM 1974 CD2 LEU A 132 -6.350 -3.541 6.180 1.00 2.35 C ATOM 0 H LEU A 132 -5.133 -7.796 6.583 1.00 1.08 H new ATOM 0 HA LEU A 132 -6.597 -5.706 8.040 1.00 1.24 H new ATOM 0 HB2 LEU A 132 -6.624 -6.805 5.208 1.00 1.27 H new ATOM 0 HB3 LEU A 132 -7.798 -5.640 5.788 1.00 1.27 H new ATOM 0 HG LEU A 132 -4.897 -5.159 6.333 1.00 1.83 H new ATOM 0 HD11 LEU A 132 -4.574 -3.898 4.227 1.00 2.35 H new ATOM 0 HD12 LEU A 132 -4.817 -5.641 3.956 1.00 2.35 H new ATOM 0 HD13 LEU A 132 -6.146 -4.498 3.649 1.00 2.35 H new ATOM 0 HD21 LEU A 132 -5.616 -2.750 6.027 1.00 2.35 H new ATOM 0 HD22 LEU A 132 -7.245 -3.324 5.597 1.00 2.35 H new ATOM 0 HD23 LEU A 132 -6.610 -3.595 7.237 1.00 2.35 H new ATOM 1986 N ASP A 133 -7.620 -8.719 7.983 1.00 1.34 N ATOM 1987 CA ASP A 133 -8.595 -9.626 8.591 1.00 1.42 C ATOM 1988 C ASP A 133 -8.803 -9.252 10.058 1.00 1.49 C ATOM 1989 O ASP A 133 -9.859 -9.501 10.621 1.00 1.49 O ATOM 1990 CB ASP A 133 -8.133 -11.081 8.442 1.00 1.45 C ATOM 1991 CG ASP A 133 -9.035 -12.063 9.184 1.00 1.99 C ATOM 1992 OD1 ASP A 133 -10.174 -12.256 8.705 1.00 2.44 O ATOM 1993 OD2 ASP A 133 -8.551 -12.643 10.181 1.00 3.08 O ATOM 0 H ASP A 133 -6.768 -9.189 7.677 1.00 1.34 H new ATOM 0 HA ASP A 133 -9.551 -9.529 8.076 1.00 1.42 H new ATOM 0 HB2 ASP A 133 -8.109 -11.344 7.384 1.00 1.45 H new ATOM 0 HB3 ASP A 133 -7.114 -11.175 8.817 1.00 1.45 H new ATOM 1998 N THR A 134 -7.828 -8.567 10.661 1.00 1.58 N ATOM 1999 CA THR A 134 -7.910 -8.035 12.017 1.00 1.67 C ATOM 2000 C THR A 134 -9.025 -6.982 12.196 1.00 1.61 C ATOM 2001 O THR A 134 -9.299 -6.553 13.319 1.00 1.69 O ATOM 2002 CB THR A 134 -6.503 -7.555 12.415 1.00 1.86 C ATOM 2003 OG1 THR A 134 -6.173 -8.006 13.710 1.00 2.14 O ATOM 2004 CG2 THR A 134 -6.365 -6.040 12.377 1.00 2.25 C ATOM 0 H THR A 134 -6.938 -8.364 10.205 1.00 1.58 H new ATOM 0 HA THR A 134 -8.219 -8.819 12.708 1.00 1.67 H new ATOM 0 HB THR A 134 -5.819 -7.977 11.679 1.00 1.86 H new ATOM 0 HG1 THR A 134 -5.275 -7.693 13.946 1.00 2.14 H new ATOM 0 HG21 THR A 134 -5.352 -5.760 12.667 1.00 2.25 H new ATOM 0 HG22 THR A 134 -6.566 -5.682 11.367 1.00 2.25 H new ATOM 0 HG23 THR A 134 -7.078 -5.592 13.069 1.00 2.25 H new ATOM 2012 N THR A 135 -9.660 -6.508 11.117 1.00 1.56 N ATOM 2013 CA THR A 135 -10.837 -5.655 11.246 1.00 1.51 C ATOM 2014 C THR A 135 -12.077 -6.533 11.424 1.00 1.45 C ATOM 2015 O THR A 135 -11.970 -7.726 11.680 1.00 2.21 O ATOM 2016 CB THR A 135 -10.963 -4.727 10.026 1.00 1.77 C ATOM 2017 OG1 THR A 135 -11.304 -5.435 8.851 1.00 2.05 O ATOM 2018 CG2 THR A 135 -9.676 -3.926 9.812 1.00 2.40 C ATOM 0 H THR A 135 -9.378 -6.701 10.156 1.00 1.56 H new ATOM 0 HA THR A 135 -10.738 -5.018 12.125 1.00 1.51 H new ATOM 0 HB THR A 135 -11.777 -4.033 10.238 1.00 1.77 H new ATOM 0 HG1 THR A 135 -10.528 -5.948 8.541 1.00 2.05 H new ATOM 0 HG21 THR A 135 -9.791 -3.278 8.943 1.00 2.40 H new ATOM 0 HG22 THR A 135 -9.475 -3.318 10.694 1.00 2.40 H new ATOM 0 HG23 THR A 135 -8.845 -4.611 9.646 1.00 2.40 H new ATOM 2026 N ASP A 136 -13.275 -5.980 11.228 1.00 1.70 N ATOM 2027 CA ASP A 136 -14.377 -6.817 10.799 1.00 1.34 C ATOM 2028 C ASP A 136 -15.297 -5.984 9.918 1.00 1.44 C ATOM 2029 O ASP A 136 -16.462 -5.757 10.232 1.00 1.71 O ATOM 2030 CB ASP A 136 -15.139 -7.498 11.942 1.00 1.40 C ATOM 2031 CG ASP A 136 -16.076 -8.560 11.354 1.00 2.25 C ATOM 2032 OD1 ASP A 136 -16.984 -9.006 12.088 1.00 3.55 O ATOM 2033 OD2 ASP A 136 -15.849 -8.937 10.176 1.00 3.39 O ATOM 0 H ASP A 136 -13.495 -4.992 11.356 1.00 1.70 H new ATOM 0 HA ASP A 136 -13.960 -7.650 10.233 1.00 1.34 H new ATOM 0 HB2 ASP A 136 -14.439 -7.958 12.640 1.00 1.40 H new ATOM 0 HB3 ASP A 136 -15.712 -6.761 12.505 1.00 1.40 H new ATOM 2038 N ALA A 137 -14.753 -5.509 8.798 1.00 1.55 N ATOM 2039 CA ALA A 137 -15.543 -4.835 7.788 1.00 2.06 C ATOM 2040 C ALA A 137 -15.233 -5.511 6.458 1.00 1.62 C ATOM 2041 O ALA A 137 -15.527 -6.693 6.343 1.00 1.64 O ATOM 2042 CB ALA A 137 -15.285 -3.332 7.850 1.00 2.86 C ATOM 0 H ALA A 137 -13.761 -5.583 8.574 1.00 1.55 H new ATOM 0 HA ALA A 137 -16.618 -4.924 7.946 1.00 2.06 H new ATOM 0 HB1 ALA A 137 -15.881 -2.829 7.089 1.00 2.86 H new ATOM 0 HB2 ALA A 137 -15.562 -2.956 8.835 1.00 2.86 H new ATOM 0 HB3 ALA A 137 -14.228 -3.137 7.671 1.00 2.86 H new ATOM 2048 N ASP A 138 -14.611 -4.831 5.497 1.00 1.68 N ATOM 2049 CA ASP A 138 -14.259 -5.297 4.163 1.00 1.36 C ATOM 2050 C ASP A 138 -12.963 -4.562 3.791 1.00 1.34 C ATOM 2051 O ASP A 138 -12.473 -3.746 4.574 1.00 1.63 O ATOM 2052 CB ASP A 138 -15.403 -4.957 3.200 1.00 1.62 C ATOM 2053 CG ASP A 138 -15.403 -5.896 2.000 1.00 1.89 C ATOM 2054 OD1 ASP A 138 -16.185 -6.869 2.045 1.00 3.12 O ATOM 2055 OD2 ASP A 138 -14.606 -5.641 1.071 1.00 2.24 O ATOM 0 H ASP A 138 -14.319 -3.865 5.645 1.00 1.68 H new ATOM 0 HA ASP A 138 -14.107 -6.375 4.115 1.00 1.36 H new ATOM 0 HB2 ASP A 138 -16.357 -5.029 3.723 1.00 1.62 H new ATOM 0 HB3 ASP A 138 -15.303 -3.926 2.860 1.00 1.62 H new ATOM 2060 N VAL A 139 -12.345 -4.852 2.652 1.00 1.12 N ATOM 2061 CA VAL A 139 -11.124 -4.159 2.253 1.00 1.29 C ATOM 2062 C VAL A 139 -11.184 -3.854 0.756 1.00 1.08 C ATOM 2063 O VAL A 139 -11.810 -4.616 0.032 1.00 1.15 O ATOM 2064 CB VAL A 139 -9.941 -5.012 2.730 1.00 1.48 C ATOM 2065 CG1 VAL A 139 -9.726 -6.278 1.908 1.00 1.46 C ATOM 2066 CG2 VAL A 139 -8.630 -4.251 2.713 1.00 2.03 C ATOM 0 H VAL A 139 -12.667 -5.559 1.991 1.00 1.12 H new ATOM 0 HA VAL A 139 -11.001 -3.181 2.718 1.00 1.29 H new ATOM 0 HB VAL A 139 -10.219 -5.281 3.749 1.00 1.48 H new ATOM 0 HG11 VAL A 139 -8.873 -6.829 2.304 1.00 1.46 H new ATOM 0 HG12 VAL A 139 -10.618 -6.902 1.962 1.00 1.46 H new ATOM 0 HG13 VAL A 139 -9.533 -6.009 0.869 1.00 1.46 H new ATOM 0 HG21 VAL A 139 -7.827 -4.902 3.060 1.00 2.03 H new ATOM 0 HG22 VAL A 139 -8.415 -3.919 1.697 1.00 2.03 H new ATOM 0 HG23 VAL A 139 -8.704 -3.384 3.370 1.00 2.03 H new ATOM 2076 N ALA A 140 -10.552 -2.788 0.248 1.00 0.88 N ATOM 2077 CA ALA A 140 -10.709 -2.406 -1.153 1.00 0.77 C ATOM 2078 C ALA A 140 -9.345 -2.312 -1.829 1.00 0.75 C ATOM 2079 O ALA A 140 -8.398 -1.780 -1.260 1.00 0.85 O ATOM 2080 CB ALA A 140 -11.469 -1.081 -1.251 1.00 0.76 C ATOM 0 H ALA A 140 -9.932 -2.181 0.785 1.00 0.88 H new ATOM 0 HA ALA A 140 -11.289 -3.170 -1.671 1.00 0.77 H new ATOM 0 HB1 ALA A 140 -11.582 -0.803 -2.299 1.00 0.76 H new ATOM 0 HB2 ALA A 140 -12.454 -1.192 -0.797 1.00 0.76 H new ATOM 0 HB3 ALA A 140 -10.913 -0.303 -0.727 1.00 0.76 H new ATOM 2086 N ILE A 141 -9.220 -2.814 -3.053 1.00 0.85 N ATOM 2087 CA ILE A 141 -7.963 -2.821 -3.766 1.00 0.84 C ATOM 2088 C ILE A 141 -8.169 -1.976 -5.018 1.00 0.89 C ATOM 2089 O ILE A 141 -9.235 -2.035 -5.618 1.00 1.08 O ATOM 2090 CB ILE A 141 -7.527 -4.266 -4.078 1.00 0.89 C ATOM 2091 CG1 ILE A 141 -7.862 -5.276 -2.957 1.00 1.19 C ATOM 2092 CG2 ILE A 141 -6.011 -4.212 -4.254 1.00 1.21 C ATOM 2093 CD1 ILE A 141 -7.506 -6.722 -3.326 1.00 1.00 C ATOM 0 H ILE A 141 -9.994 -3.227 -3.573 1.00 0.85 H new ATOM 0 HA ILE A 141 -7.154 -2.397 -3.172 1.00 0.84 H new ATOM 0 HB ILE A 141 -8.063 -4.613 -4.961 1.00 0.89 H new ATOM 0 HG12 ILE A 141 -7.325 -4.996 -2.051 1.00 1.19 H new ATOM 0 HG13 ILE A 141 -8.926 -5.217 -2.728 1.00 1.19 H new ATOM 0 HG21 ILE A 141 -5.635 -5.210 -4.479 1.00 1.21 H new ATOM 0 HG22 ILE A 141 -5.764 -3.538 -5.074 1.00 1.21 H new ATOM 0 HG23 ILE A 141 -5.551 -3.849 -3.335 1.00 1.21 H new ATOM 0 HD11 ILE A 141 -7.765 -7.383 -2.499 1.00 1.00 H new ATOM 0 HD12 ILE A 141 -8.063 -7.018 -4.215 1.00 1.00 H new ATOM 0 HD13 ILE A 141 -6.437 -6.794 -3.527 1.00 1.00 H new ATOM 2105 N TYR A 142 -7.171 -1.190 -5.407 1.00 0.81 N ATOM 2106 CA TYR A 142 -7.207 -0.238 -6.509 1.00 0.93 C ATOM 2107 C TYR A 142 -5.917 -0.386 -7.307 1.00 0.89 C ATOM 2108 O TYR A 142 -4.833 -0.183 -6.767 1.00 0.95 O ATOM 2109 CB TYR A 142 -7.324 1.199 -5.971 1.00 1.07 C ATOM 2110 CG TYR A 142 -8.729 1.765 -6.000 1.00 1.79 C ATOM 2111 CD1 TYR A 142 -9.734 1.210 -5.187 1.00 2.71 C ATOM 2112 CD2 TYR A 142 -9.027 2.859 -6.837 1.00 2.94 C ATOM 2113 CE1 TYR A 142 -11.037 1.734 -5.217 1.00 4.27 C ATOM 2114 CE2 TYR A 142 -10.330 3.383 -6.877 1.00 4.43 C ATOM 2115 CZ TYR A 142 -11.340 2.823 -6.067 1.00 5.02 C ATOM 2116 OH TYR A 142 -12.598 3.338 -6.112 1.00 6.65 O ATOM 0 H TYR A 142 -6.267 -1.201 -4.936 1.00 0.81 H new ATOM 0 HA TYR A 142 -8.071 -0.437 -7.142 1.00 0.93 H new ATOM 0 HB2 TYR A 142 -6.958 1.221 -4.945 1.00 1.07 H new ATOM 0 HB3 TYR A 142 -6.672 1.847 -6.556 1.00 1.07 H new ATOM 0 HD1 TYR A 142 -9.503 0.378 -4.538 1.00 2.71 H new ATOM 0 HD2 TYR A 142 -8.252 3.296 -7.449 1.00 2.94 H new ATOM 0 HE1 TYR A 142 -11.806 1.306 -4.592 1.00 4.27 H new ATOM 0 HE2 TYR A 142 -10.558 4.214 -7.528 1.00 4.43 H new ATOM 0 HH TYR A 142 -12.945 3.433 -5.201 1.00 6.65 H new ATOM 2126 N CYS A 143 -6.025 -0.744 -8.587 1.00 0.85 N ATOM 2127 CA CYS A 143 -4.904 -0.783 -9.510 1.00 0.77 C ATOM 2128 C CYS A 143 -5.488 -0.752 -10.921 1.00 0.80 C ATOM 2129 O CYS A 143 -6.559 -1.309 -11.175 1.00 0.94 O ATOM 2130 CB CYS A 143 -4.054 -2.047 -9.286 1.00 0.81 C ATOM 2131 SG CYS A 143 -2.285 -1.636 -9.293 1.00 2.05 S ATOM 0 H CYS A 143 -6.910 -1.018 -9.013 1.00 0.85 H new ATOM 0 HA CYS A 143 -4.242 0.068 -9.353 1.00 0.77 H new ATOM 0 HB2 CYS A 143 -4.322 -2.509 -8.336 1.00 0.81 H new ATOM 0 HB3 CYS A 143 -4.266 -2.778 -10.066 1.00 0.81 H new ATOM 0 HG CYS A 143 -1.588 -2.716 -9.100 1.00 2.05 H new ATOM 2137 N ARG A 144 -4.801 -0.099 -11.854 1.00 0.88 N ATOM 2138 CA ARG A 144 -5.117 -0.227 -13.267 1.00 0.94 C ATOM 2139 C ARG A 144 -4.348 -1.437 -13.792 1.00 0.99 C ATOM 2140 O ARG A 144 -3.194 -1.580 -13.402 1.00 1.40 O ATOM 2141 CB ARG A 144 -4.675 1.053 -13.994 1.00 1.14 C ATOM 2142 CG ARG A 144 -5.789 1.644 -14.861 1.00 2.43 C ATOM 2143 CD ARG A 144 -6.559 2.757 -14.133 1.00 3.49 C ATOM 2144 NE ARG A 144 -7.280 3.604 -15.096 1.00 4.27 N ATOM 2145 CZ ARG A 144 -6.674 4.472 -15.920 1.00 4.36 C ATOM 2146 NH1 ARG A 144 -7.334 4.951 -16.978 1.00 5.20 N ATOM 2147 NH2 ARG A 144 -5.411 4.837 -15.698 1.00 4.22 N ATOM 0 H ARG A 144 -4.020 0.525 -11.653 1.00 0.88 H new ATOM 0 HA ARG A 144 -6.186 -0.363 -13.432 1.00 0.94 H new ATOM 0 HB2 ARG A 144 -4.358 1.794 -13.260 1.00 1.14 H new ATOM 0 HB3 ARG A 144 -3.810 0.833 -14.619 1.00 1.14 H new ATOM 0 HG2 ARG A 144 -5.360 2.042 -15.780 1.00 2.43 H new ATOM 0 HG3 ARG A 144 -6.482 0.853 -15.149 1.00 2.43 H new ATOM 0 HD2 ARG A 144 -7.264 2.317 -13.428 1.00 3.49 H new ATOM 0 HD3 ARG A 144 -5.866 3.366 -13.552 1.00 3.49 H new ATOM 0 HE ARG A 144 -8.296 3.527 -15.139 1.00 4.27 H new ATOM 0 HH11 ARG A 144 -8.294 4.657 -17.156 1.00 5.20 H new ATOM 0 HH12 ARG A 144 -6.878 5.611 -17.608 1.00 5.20 H new ATOM 0 HH21 ARG A 144 -4.903 4.456 -14.900 1.00 4.22 H new ATOM 0 HH22 ARG A 144 -4.953 5.497 -16.326 1.00 4.22 H new ATOM 2161 N ASP A 145 -4.957 -2.252 -14.665 1.00 0.90 N ATOM 2162 CA ASP A 145 -4.319 -3.375 -15.379 1.00 0.95 C ATOM 2163 C ASP A 145 -5.352 -4.275 -16.061 1.00 0.98 C ATOM 2164 O ASP A 145 -5.134 -4.753 -17.169 1.00 1.28 O ATOM 2165 CB ASP A 145 -3.417 -4.214 -14.452 1.00 0.96 C ATOM 2166 CG ASP A 145 -3.013 -5.532 -15.099 1.00 1.44 C ATOM 2167 OD1 ASP A 145 -1.902 -5.606 -15.659 1.00 1.66 O ATOM 2168 OD2 ASP A 145 -3.852 -6.454 -15.020 1.00 2.92 O ATOM 0 H ASP A 145 -5.943 -2.146 -14.904 1.00 0.90 H new ATOM 0 HA ASP A 145 -3.690 -2.928 -16.149 1.00 0.95 H new ATOM 0 HB2 ASP A 145 -2.523 -3.643 -14.201 1.00 0.96 H new ATOM 0 HB3 ASP A 145 -3.941 -4.413 -13.517 1.00 0.96 H new ATOM 2173 N LYS A 146 -6.488 -4.509 -15.403 1.00 0.86 N ATOM 2174 CA LYS A 146 -7.557 -5.416 -15.777 1.00 0.87 C ATOM 2175 C LYS A 146 -7.230 -6.913 -15.824 1.00 0.91 C ATOM 2176 O LYS A 146 -8.051 -7.697 -15.353 1.00 0.97 O ATOM 2177 CB LYS A 146 -8.235 -4.951 -17.053 1.00 0.98 C ATOM 2178 CG LYS A 146 -9.290 -3.868 -16.809 1.00 2.09 C ATOM 2179 CD LYS A 146 -10.375 -4.003 -17.876 1.00 1.84 C ATOM 2180 CE LYS A 146 -11.292 -5.173 -17.478 1.00 2.25 C ATOM 2181 NZ LYS A 146 -12.363 -5.460 -18.452 1.00 2.92 N ATOM 0 H LYS A 146 -6.694 -4.028 -14.527 1.00 0.86 H new ATOM 0 HA LYS A 146 -8.247 -5.354 -14.936 1.00 0.87 H new ATOM 0 HB2 LYS A 146 -7.481 -4.567 -17.740 1.00 0.98 H new ATOM 0 HB3 LYS A 146 -8.705 -5.805 -17.540 1.00 0.98 H new ATOM 0 HG2 LYS A 146 -9.721 -3.976 -15.814 1.00 2.09 H new ATOM 0 HG3 LYS A 146 -8.835 -2.878 -16.854 1.00 2.09 H new ATOM 0 HD2 LYS A 146 -10.948 -3.079 -17.955 1.00 1.84 H new ATOM 0 HD3 LYS A 146 -9.928 -4.185 -18.853 1.00 1.84 H new ATOM 0 HE2 LYS A 146 -10.684 -6.069 -17.349 1.00 2.25 H new ATOM 0 HE3 LYS A 146 -11.745 -4.953 -16.511 1.00 2.25 H new ATOM 0 HZ1 LYS A 146 -12.936 -6.259 -18.113 1.00 2.92 H new ATOM 0 HZ2 LYS A 146 -12.968 -4.621 -18.560 1.00 2.92 H new ATOM 0 HZ3 LYS A 146 -11.941 -5.702 -19.371 1.00 2.92 H new ATOM 2195 N LYS A 147 -6.081 -7.371 -16.318 1.00 0.95 N ATOM 2196 CA LYS A 147 -5.752 -8.792 -16.183 1.00 1.03 C ATOM 2197 C LYS A 147 -5.765 -9.194 -14.707 1.00 1.02 C ATOM 2198 O LYS A 147 -6.026 -10.351 -14.378 1.00 1.12 O ATOM 2199 CB LYS A 147 -4.383 -9.087 -16.813 1.00 1.08 C ATOM 2200 CG LYS A 147 -4.246 -10.577 -17.161 1.00 1.68 C ATOM 2201 CD LYS A 147 -4.577 -10.832 -18.633 1.00 2.21 C ATOM 2202 CE LYS A 147 -4.665 -12.342 -18.877 1.00 3.25 C ATOM 2203 NZ LYS A 147 -4.392 -12.695 -20.287 1.00 3.76 N ATOM 0 H LYS A 147 -5.383 -6.804 -16.799 1.00 0.95 H new ATOM 0 HA LYS A 147 -6.503 -9.380 -16.711 1.00 1.03 H new ATOM 0 HB2 LYS A 147 -4.256 -8.486 -17.714 1.00 1.08 H new ATOM 0 HB3 LYS A 147 -3.591 -8.797 -16.123 1.00 1.08 H new ATOM 0 HG2 LYS A 147 -3.230 -10.911 -16.951 1.00 1.68 H new ATOM 0 HG3 LYS A 147 -4.912 -11.164 -16.528 1.00 1.68 H new ATOM 0 HD2 LYS A 147 -5.521 -10.354 -18.894 1.00 2.21 H new ATOM 0 HD3 LYS A 147 -3.811 -10.393 -19.272 1.00 2.21 H new ATOM 0 HE2 LYS A 147 -3.953 -12.855 -18.231 1.00 3.25 H new ATOM 0 HE3 LYS A 147 -5.658 -12.696 -18.601 1.00 3.25 H new ATOM 0 HZ1 LYS A 147 -4.462 -13.726 -20.407 1.00 3.76 H new ATOM 0 HZ2 LYS A 147 -5.087 -12.227 -20.903 1.00 3.76 H new ATOM 0 HZ3 LYS A 147 -3.434 -12.381 -20.544 1.00 3.76 H new ATOM 2217 N TRP A 148 -5.514 -8.249 -13.805 1.00 0.96 N ATOM 2218 CA TRP A 148 -5.458 -8.516 -12.393 1.00 1.00 C ATOM 2219 C TRP A 148 -6.854 -8.724 -11.842 1.00 1.07 C ATOM 2220 O TRP A 148 -7.018 -9.518 -10.930 1.00 1.11 O ATOM 2221 CB TRP A 148 -4.702 -7.416 -11.646 1.00 1.02 C ATOM 2222 CG TRP A 148 -5.489 -6.185 -11.341 1.00 2.27 C ATOM 2223 CD1 TRP A 148 -6.214 -5.485 -12.233 1.00 3.38 C ATOM 2224 CD2 TRP A 148 -5.686 -5.524 -10.064 1.00 3.38 C ATOM 2225 NE1 TRP A 148 -6.845 -4.430 -11.601 1.00 5.06 N ATOM 2226 CE2 TRP A 148 -6.567 -4.425 -10.252 1.00 5.13 C ATOM 2227 CE3 TRP A 148 -5.215 -5.759 -8.761 1.00 3.27 C ATOM 2228 CZ2 TRP A 148 -6.969 -3.604 -9.193 1.00 6.55 C ATOM 2229 CZ3 TRP A 148 -5.566 -4.910 -7.698 1.00 4.62 C ATOM 2230 CH2 TRP A 148 -6.447 -3.838 -7.910 1.00 6.23 C ATOM 0 H TRP A 148 -5.344 -7.273 -14.048 1.00 0.96 H new ATOM 0 HA TRP A 148 -4.898 -9.438 -12.237 1.00 1.00 H new ATOM 0 HB2 TRP A 148 -4.329 -7.829 -10.709 1.00 1.02 H new ATOM 0 HB3 TRP A 148 -3.832 -7.132 -12.238 1.00 1.02 H new ATOM 0 HD1 TRP A 148 -6.291 -5.714 -13.286 1.00 3.38 H new ATOM 0 HE1 TRP A 148 -7.438 -3.746 -12.071 1.00 5.06 H new ATOM 0 HE3 TRP A 148 -4.572 -6.607 -8.574 1.00 3.27 H new ATOM 0 HZ2 TRP A 148 -7.671 -2.801 -9.360 1.00 6.55 H new ATOM 0 HZ3 TRP A 148 -5.156 -5.083 -6.714 1.00 4.62 H new ATOM 0 HH2 TRP A 148 -6.723 -3.194 -7.088 1.00 6.23 H new ATOM 2241 N GLU A 149 -7.869 -8.045 -12.382 1.00 1.12 N ATOM 2242 CA GLU A 149 -9.208 -8.245 -11.871 1.00 1.22 C ATOM 2243 C GLU A 149 -9.672 -9.625 -12.291 1.00 1.27 C ATOM 2244 O GLU A 149 -10.329 -10.298 -11.515 1.00 1.35 O ATOM 2245 CB GLU A 149 -10.188 -7.137 -12.293 1.00 1.30 C ATOM 2246 CG GLU A 149 -10.520 -7.073 -13.792 1.00 2.36 C ATOM 2247 CD GLU A 149 -11.942 -6.590 -14.080 1.00 3.02 C ATOM 2248 OE1 GLU A 149 -12.069 -5.475 -14.636 1.00 3.80 O ATOM 2249 OE2 GLU A 149 -12.887 -7.348 -13.782 1.00 3.52 O ATOM 0 H GLU A 149 -7.786 -7.376 -13.147 1.00 1.12 H new ATOM 0 HA GLU A 149 -9.186 -8.182 -10.783 1.00 1.22 H new ATOM 0 HB2 GLU A 149 -11.118 -7.270 -11.740 1.00 1.30 H new ATOM 0 HB3 GLU A 149 -9.772 -6.176 -11.991 1.00 1.30 H new ATOM 0 HG2 GLU A 149 -9.812 -6.407 -14.285 1.00 2.36 H new ATOM 0 HG3 GLU A 149 -10.385 -8.062 -14.229 1.00 2.36 H new ATOM 2256 N MET A 150 -9.287 -10.076 -13.487 1.00 1.25 N ATOM 2257 CA MET A 150 -9.666 -11.380 -13.974 1.00 1.36 C ATOM 2258 C MET A 150 -9.050 -12.416 -13.052 1.00 1.36 C ATOM 2259 O MET A 150 -9.753 -13.185 -12.408 1.00 1.39 O ATOM 2260 CB MET A 150 -9.172 -11.543 -15.412 1.00 1.39 C ATOM 2261 CG MET A 150 -10.082 -10.804 -16.391 1.00 1.54 C ATOM 2262 SD MET A 150 -9.515 -10.895 -18.109 1.00 2.31 S ATOM 2263 CE MET A 150 -10.789 -9.864 -18.877 1.00 3.61 C ATOM 0 H MET A 150 -8.707 -9.541 -14.133 1.00 1.25 H new ATOM 0 HA MET A 150 -10.749 -11.505 -13.979 1.00 1.36 H new ATOM 0 HB2 MET A 150 -8.155 -11.161 -15.496 1.00 1.39 H new ATOM 0 HB3 MET A 150 -9.137 -12.601 -15.670 1.00 1.39 H new ATOM 0 HG2 MET A 150 -11.087 -11.220 -16.326 1.00 1.54 H new ATOM 0 HG3 MET A 150 -10.150 -9.758 -16.093 1.00 1.54 H new ATOM 0 HE1 MET A 150 -10.607 -9.800 -19.950 1.00 3.61 H new ATOM 0 HE2 MET A 150 -11.770 -10.306 -18.701 1.00 3.61 H new ATOM 0 HE3 MET A 150 -10.758 -8.864 -18.443 1.00 3.61 H new ATOM 2273 N THR A 151 -7.724 -12.424 -12.969 1.00 1.36 N ATOM 2274 CA THR A 151 -7.007 -13.467 -12.270 1.00 1.46 C ATOM 2275 C THR A 151 -7.310 -13.453 -10.786 1.00 1.42 C ATOM 2276 O THR A 151 -7.582 -14.495 -10.193 1.00 1.51 O ATOM 2277 CB THR A 151 -5.514 -13.281 -12.555 1.00 1.56 C ATOM 2278 OG1 THR A 151 -5.297 -13.127 -13.944 1.00 1.61 O ATOM 2279 CG2 THR A 151 -4.718 -14.487 -12.084 1.00 1.72 C ATOM 0 H THR A 151 -7.126 -11.710 -13.384 1.00 1.36 H new ATOM 0 HA THR A 151 -7.328 -14.446 -12.626 1.00 1.46 H new ATOM 0 HB THR A 151 -5.185 -12.391 -12.018 1.00 1.56 H new ATOM 0 HG1 THR A 151 -5.393 -12.183 -14.187 1.00 1.61 H new ATOM 0 HG21 THR A 151 -3.661 -14.331 -12.297 1.00 1.72 H new ATOM 0 HG22 THR A 151 -4.856 -14.618 -11.011 1.00 1.72 H new ATOM 0 HG23 THR A 151 -5.066 -15.379 -12.606 1.00 1.72 H new ATOM 2287 N LEU A 152 -7.287 -12.279 -10.169 1.00 1.33 N ATOM 2288 CA LEU A 152 -7.562 -12.207 -8.750 1.00 1.36 C ATOM 2289 C LEU A 152 -9.018 -12.559 -8.500 1.00 1.25 C ATOM 2290 O LEU A 152 -9.303 -13.129 -7.458 1.00 1.28 O ATOM 2291 CB LEU A 152 -7.130 -10.865 -8.143 1.00 1.42 C ATOM 2292 CG LEU A 152 -8.199 -9.761 -8.151 1.00 2.27 C ATOM 2293 CD1 LEU A 152 -9.132 -9.839 -6.932 1.00 3.57 C ATOM 2294 CD2 LEU A 152 -7.517 -8.393 -8.120 1.00 3.03 C ATOM 0 H LEU A 152 -7.085 -11.386 -10.620 1.00 1.33 H new ATOM 0 HA LEU A 152 -6.955 -12.945 -8.226 1.00 1.36 H new ATOM 0 HB2 LEU A 152 -6.817 -11.036 -7.113 1.00 1.42 H new ATOM 0 HB3 LEU A 152 -6.256 -10.505 -8.686 1.00 1.42 H new ATOM 0 HG LEU A 152 -8.790 -9.900 -9.056 1.00 2.27 H new ATOM 0 HD11 LEU A 152 -9.869 -9.037 -6.986 1.00 3.57 H new ATOM 0 HD12 LEU A 152 -9.643 -10.802 -6.926 1.00 3.57 H new ATOM 0 HD13 LEU A 152 -8.547 -9.733 -6.019 1.00 3.57 H new ATOM 0 HD21 LEU A 152 -8.274 -7.609 -8.126 1.00 3.03 H new ATOM 0 HD22 LEU A 152 -6.913 -8.308 -7.217 1.00 3.03 H new ATOM 0 HD23 LEU A 152 -6.877 -8.286 -8.996 1.00 3.03 H new ATOM 2306 N LYS A 153 -9.948 -12.265 -9.418 1.00 1.16 N ATOM 2307 CA LYS A 153 -11.336 -12.666 -9.196 1.00 1.13 C ATOM 2308 C LYS A 153 -11.473 -14.167 -9.393 1.00 1.25 C ATOM 2309 O LYS A 153 -12.335 -14.768 -8.772 1.00 1.29 O ATOM 2310 CB LYS A 153 -12.333 -11.916 -10.089 1.00 1.13 C ATOM 2311 CG LYS A 153 -12.590 -10.475 -9.604 1.00 1.02 C ATOM 2312 CD LYS A 153 -13.463 -10.450 -8.337 1.00 2.25 C ATOM 2313 CE LYS A 153 -14.638 -9.467 -8.463 1.00 2.87 C ATOM 2314 NZ LYS A 153 -14.289 -8.083 -8.070 1.00 4.37 N ATOM 0 H LYS A 153 -9.771 -11.768 -10.291 1.00 1.16 H new ATOM 0 HA LYS A 153 -11.585 -12.399 -8.169 1.00 1.13 H new ATOM 0 HB2 LYS A 153 -11.953 -11.890 -11.110 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -13.276 -12.462 -10.113 1.00 1.13 H new ATOM 0 HG2 LYS A 153 -11.638 -9.984 -9.400 1.00 1.02 H new ATOM 0 HG3 LYS A 153 -13.079 -9.906 -10.395 1.00 1.02 H new ATOM 0 HD2 LYS A 153 -13.848 -11.451 -8.143 1.00 2.25 H new ATOM 0 HD3 LYS A 153 -12.849 -10.173 -7.480 1.00 2.25 H new ATOM 0 HE2 LYS A 153 -14.993 -9.466 -9.494 1.00 2.87 H new ATOM 0 HE3 LYS A 153 -15.463 -9.816 -7.842 1.00 2.87 H new ATOM 0 HZ1 LYS A 153 -15.135 -7.482 -8.129 1.00 4.37 H new ATOM 0 HZ2 LYS A 153 -13.929 -8.080 -7.094 1.00 4.37 H new ATOM 0 HZ3 LYS A 153 -13.557 -7.714 -8.710 1.00 4.37 H new ATOM 2328 N GLU A 154 -10.635 -14.787 -10.223 1.00 1.33 N ATOM 2329 CA GLU A 154 -10.670 -16.225 -10.460 1.00 1.45 C ATOM 2330 C GLU A 154 -10.287 -16.912 -9.156 1.00 1.45 C ATOM 2331 O GLU A 154 -10.987 -17.780 -8.651 1.00 1.46 O ATOM 2332 CB GLU A 154 -9.715 -16.576 -11.619 1.00 1.54 C ATOM 2333 CG GLU A 154 -10.177 -17.777 -12.460 1.00 1.74 C ATOM 2334 CD GLU A 154 -9.533 -19.103 -12.036 1.00 2.44 C ATOM 2335 OE1 GLU A 154 -8.510 -19.462 -12.661 1.00 3.40 O ATOM 2336 OE2 GLU A 154 -10.071 -19.756 -11.115 1.00 3.17 O ATOM 0 H GLU A 154 -9.910 -14.301 -10.751 1.00 1.33 H new ATOM 0 HA GLU A 154 -11.662 -16.566 -10.756 1.00 1.45 H new ATOM 0 HB2 GLU A 154 -9.612 -15.707 -12.269 1.00 1.54 H new ATOM 0 HB3 GLU A 154 -8.726 -16.788 -11.212 1.00 1.54 H new ATOM 0 HG2 GLU A 154 -11.261 -17.868 -12.385 1.00 1.74 H new ATOM 0 HG3 GLU A 154 -9.945 -17.588 -13.508 1.00 1.74 H new ATOM 2343 N ALA A 155 -9.196 -16.455 -8.552 1.00 1.47 N ATOM 2344 CA ALA A 155 -8.672 -17.033 -7.327 1.00 1.56 C ATOM 2345 C ALA A 155 -9.517 -16.674 -6.119 1.00 1.44 C ATOM 2346 O ALA A 155 -9.628 -17.482 -5.200 1.00 1.46 O ATOM 2347 CB ALA A 155 -7.226 -16.577 -7.118 1.00 1.69 C ATOM 0 H ALA A 155 -8.649 -15.669 -8.903 1.00 1.47 H new ATOM 0 HA ALA A 155 -8.703 -18.118 -7.431 1.00 1.56 H new ATOM 0 HB1 ALA A 155 -6.836 -17.013 -6.198 1.00 1.69 H new ATOM 0 HB2 ALA A 155 -6.616 -16.903 -7.961 1.00 1.69 H new ATOM 0 HB3 ALA A 155 -7.194 -15.490 -7.046 1.00 1.69 H new ATOM 2353 N VAL A 156 -10.098 -15.477 -6.097 1.00 1.35 N ATOM 2354 CA VAL A 156 -11.057 -15.090 -5.084 1.00 1.28 C ATOM 2355 C VAL A 156 -12.299 -15.956 -5.249 1.00 1.27 C ATOM 2356 O VAL A 156 -12.916 -16.329 -4.258 1.00 1.33 O ATOM 2357 CB VAL A 156 -11.353 -13.587 -5.207 1.00 1.23 C ATOM 2358 CG1 VAL A 156 -12.634 -13.148 -4.505 1.00 1.18 C ATOM 2359 CG2 VAL A 156 -10.200 -12.797 -4.583 1.00 1.30 C ATOM 0 H VAL A 156 -9.911 -14.750 -6.788 1.00 1.35 H new ATOM 0 HA VAL A 156 -10.666 -15.251 -4.079 1.00 1.28 H new ATOM 0 HB VAL A 156 -11.472 -13.391 -6.273 1.00 1.23 H new ATOM 0 HG11 VAL A 156 -12.772 -12.075 -4.638 1.00 1.18 H new ATOM 0 HG12 VAL A 156 -13.484 -13.679 -4.933 1.00 1.18 H new ATOM 0 HG13 VAL A 156 -12.562 -13.376 -3.441 1.00 1.18 H new ATOM 0 HG21 VAL A 156 -10.403 -11.729 -4.667 1.00 1.30 H new ATOM 0 HG22 VAL A 156 -10.102 -13.066 -3.531 1.00 1.30 H new ATOM 0 HG23 VAL A 156 -9.273 -13.032 -5.106 1.00 1.30 H new ATOM 2369 N ALA A 157 -12.657 -16.309 -6.486 1.00 1.26 N ATOM 2370 CA ALA A 157 -13.879 -17.069 -6.708 1.00 1.30 C ATOM 2371 C ALA A 157 -13.663 -18.484 -6.194 1.00 1.42 C ATOM 2372 O ALA A 157 -14.482 -19.021 -5.459 1.00 1.44 O ATOM 2373 CB ALA A 157 -14.278 -17.064 -8.187 1.00 1.39 C ATOM 0 H ALA A 157 -12.128 -16.085 -7.329 1.00 1.26 H new ATOM 0 HA ALA A 157 -14.703 -16.606 -6.165 1.00 1.30 H new ATOM 0 HB1 ALA A 157 -15.194 -17.640 -8.319 1.00 1.39 H new ATOM 0 HB2 ALA A 157 -14.444 -16.038 -8.516 1.00 1.39 H new ATOM 0 HB3 ALA A 157 -13.480 -17.510 -8.781 1.00 1.39 H new ATOM 2379 N ARG A 158 -12.533 -19.089 -6.556 1.00 1.53 N ATOM 2380 CA ARG A 158 -12.188 -20.421 -6.103 1.00 1.68 C ATOM 2381 C ARG A 158 -11.876 -20.445 -4.602 1.00 1.66 C ATOM 2382 O ARG A 158 -11.827 -21.516 -4.009 1.00 1.81 O ATOM 2383 CB ARG A 158 -11.029 -20.981 -6.942 1.00 1.84 C ATOM 2384 CG ARG A 158 -11.175 -22.504 -7.034 1.00 2.01 C ATOM 2385 CD ARG A 158 -9.879 -23.196 -7.461 1.00 2.05 C ATOM 2386 NE ARG A 158 -9.742 -23.318 -8.921 1.00 2.43 N ATOM 2387 CZ ARG A 158 -8.971 -24.238 -9.516 1.00 3.24 C ATOM 2388 NH1 ARG A 158 -9.001 -24.393 -10.840 1.00 4.40 N ATOM 2389 NH2 ARG A 158 -8.171 -25.011 -8.779 1.00 3.78 N ATOM 0 H ARG A 158 -11.838 -18.665 -7.170 1.00 1.53 H new ATOM 0 HA ARG A 158 -13.053 -21.069 -6.247 1.00 1.68 H new ATOM 0 HB2 ARG A 158 -11.038 -20.540 -7.939 1.00 1.84 H new ATOM 0 HB3 ARG A 158 -10.074 -20.720 -6.487 1.00 1.84 H new ATOM 0 HG2 ARG A 158 -11.488 -22.894 -6.066 1.00 2.01 H new ATOM 0 HG3 ARG A 158 -11.964 -22.747 -7.746 1.00 2.01 H new ATOM 0 HD2 ARG A 158 -9.030 -22.637 -7.068 1.00 2.05 H new ATOM 0 HD3 ARG A 158 -9.841 -24.190 -7.014 1.00 2.05 H new ATOM 0 HE ARG A 158 -10.261 -22.668 -9.511 1.00 2.43 H new ATOM 0 HH11 ARG A 158 -9.614 -23.809 -11.408 1.00 4.40 H new ATOM 0 HH12 ARG A 158 -8.411 -25.096 -11.285 1.00 4.40 H new ATOM 0 HH21 ARG A 158 -8.148 -24.901 -7.765 1.00 3.78 H new ATOM 0 HH22 ARG A 158 -7.583 -25.712 -9.229 1.00 3.78 H new ATOM 2403 N ARG A 159 -11.605 -19.288 -3.988 1.00 1.52 N ATOM 2404 CA ARG A 159 -11.474 -19.194 -2.534 1.00 1.53 C ATOM 2405 C ARG A 159 -12.807 -19.316 -1.796 1.00 1.51 C ATOM 2406 O ARG A 159 -12.768 -19.581 -0.596 1.00 1.69 O ATOM 2407 CB ARG A 159 -10.778 -17.882 -2.132 1.00 1.53 C ATOM 2408 CG ARG A 159 -9.304 -18.106 -1.766 1.00 2.05 C ATOM 2409 CD ARG A 159 -8.362 -17.067 -2.391 1.00 3.02 C ATOM 2410 NE ARG A 159 -7.419 -17.724 -3.305 1.00 4.28 N ATOM 2411 CZ ARG A 159 -6.305 -18.370 -2.938 1.00 4.99 C ATOM 2412 NH1 ARG A 159 -5.566 -19.008 -3.845 1.00 6.31 N ATOM 2413 NH2 ARG A 159 -5.938 -18.389 -1.655 1.00 4.73 N ATOM 0 H ARG A 159 -11.472 -18.404 -4.478 1.00 1.52 H new ATOM 0 HA ARG A 159 -10.862 -20.045 -2.234 1.00 1.53 H new ATOM 0 HB2 ARG A 159 -10.844 -17.169 -2.954 1.00 1.53 H new ATOM 0 HB3 ARG A 159 -11.300 -17.439 -1.284 1.00 1.53 H new ATOM 0 HG2 ARG A 159 -9.197 -18.078 -0.682 1.00 2.05 H new ATOM 0 HG3 ARG A 159 -9.003 -19.102 -2.091 1.00 2.05 H new ATOM 0 HD2 ARG A 159 -8.941 -16.318 -2.931 1.00 3.02 H new ATOM 0 HD3 ARG A 159 -7.815 -16.543 -1.607 1.00 3.02 H new ATOM 0 HE ARG A 159 -7.630 -17.685 -4.302 1.00 4.28 H new ATOM 0 HH11 ARG A 159 -5.848 -19.006 -4.825 1.00 6.31 H new ATOM 0 HH12 ARG A 159 -4.718 -19.498 -3.559 1.00 6.31 H new ATOM 0 HH21 ARG A 159 -6.506 -17.912 -0.955 1.00 4.73 H new ATOM 0 HH22 ARG A 159 -5.090 -18.881 -1.374 1.00 4.73 H new ATOM 2427 N GLU A 160 -13.948 -19.052 -2.435 1.00 1.40 N ATOM 2428 CA GLU A 160 -15.232 -19.173 -1.762 1.00 1.48 C ATOM 2429 C GLU A 160 -15.552 -20.643 -1.492 1.00 2.55 C ATOM 2430 O GLU A 160 -15.145 -21.486 -2.322 1.00 3.91 O ATOM 2431 CB GLU A 160 -16.349 -18.494 -2.570 1.00 2.18 C ATOM 2432 CG GLU A 160 -16.070 -16.998 -2.805 1.00 3.06 C ATOM 2433 CD GLU A 160 -17.259 -16.099 -2.435 1.00 4.38 C ATOM 2434 OE1 GLU A 160 -17.131 -15.352 -1.437 1.00 5.27 O ATOM 2435 OE2 GLU A 160 -18.271 -16.140 -3.170 1.00 5.14 O ATOM 0 H GLU A 160 -14.004 -18.756 -3.409 1.00 1.40 H new ATOM 0 HA GLU A 160 -15.169 -18.657 -0.804 1.00 1.48 H new ATOM 0 HB2 GLU A 160 -16.457 -18.997 -3.531 1.00 2.18 H new ATOM 0 HB3 GLU A 160 -17.296 -18.607 -2.043 1.00 2.18 H new ATOM 0 HG2 GLU A 160 -15.201 -16.700 -2.219 1.00 3.06 H new ATOM 0 HG3 GLU A 160 -15.816 -16.842 -3.854 1.00 3.06 H new TER 2442 GLU A 160