USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1108 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 64 LYS NZ :NH3+ -133:sc= 2.55 (180deg=-0.604) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.594 K(o=-1.7,f=-11!) USER MOD Set 1.3: A 100 ASN : amide:sc= -3.7! C(o=-1.7!,f=-7.7!) USER MOD Set 2.1: A 53 THR OG1 : rot 134:sc= 0.518 USER MOD Set 2.2: A 56 MET CE :methyl -149:sc= -0.811 (180deg=-1.51) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 166:sc= 1.81 (180deg=1.15) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.678 K(o=2.5,f=-9.1!) USER MOD Set 4.1: A 20 ASN : amide:sc= -1.72 X(o=-2.5,f=-2.5!) USER MOD Set 4.2: A 21 GLN : amide:sc= -0.791 K(o=-2.5,f=-4!) USER MOD Single : A 10 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.1) USER MOD Single : A 11 TYR OH : rot -133:sc= 1.32 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.875 F(o=-1.5,f=-0.88) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 30 SER OG : rot -150:sc= 0.626 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.713 (180deg=-2.23!) USER MOD Single : A 43 THR OG1 : rot -21:sc= 1.14 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.07) USER MOD Single : A 57 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 60 GLN : amide:sc= 0.104 K(o=0.1,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 1.31 (180deg=1.24) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 83:sc= 1.21 USER MOD Single : A 76 SER OG : rot 80:sc= 1.26 USER MOD Single : A 81 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0.434 (180deg=-0.376) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0158 F(o=-0.75,f=-0.016) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= 1.15 (180deg=1.09) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 94 TYR OH : rot 3:sc= 0.375 USER MOD Single : A 97 SER OG : rot -156:sc= 1.36 USER MOD Single : A 105 THR OG1 : rot -66:sc= 0.8 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 97:sc= 0.179 USER MOD Single : A 109 GLN : amide:sc= 1.1! C(o=1.1!,f=-6.6!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.125 USER MOD Single : A 118 LYS NZ :NH3+ -146:sc= 1.88 (180deg=0.101) USER MOD Single : A 119 SER OG : rot 88:sc= 1.37 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 21:sc= 0.203 USER MOD Single : A 140 TYR OH : rot -93:sc= 1.06 USER MOD Single : A 147 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.246!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.3!) USER MOD Single : A 160 TYR OH : rot 130:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 168 LYS NZ :NH3+ 171:sc= 0.533 (180deg=0.511) USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 80:sc= 0.576 USER MOD Single : A 172 THR OG1 : rot -40:sc= 0.918 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.758 -8.849 8.968 1.00 1.59 N ATOM 113 CA ASP A 7 -15.865 -9.018 7.525 1.00 1.49 C ATOM 114 C ASP A 7 -14.507 -9.519 7.008 1.00 1.49 C ATOM 115 O ASP A 7 -13.604 -8.713 6.795 1.00 1.37 O ATOM 116 CB ASP A 7 -16.304 -7.663 6.922 1.00 1.83 C ATOM 117 CG ASP A 7 -17.276 -6.913 7.837 1.00 2.96 C ATOM 118 OD1 ASP A 7 -18.266 -7.537 8.285 1.00 3.98 O ATOM 119 OD2 ASP A 7 -16.925 -5.784 8.231 1.00 3.42 O ATOM 0 HA ASP A 7 -16.611 -9.756 7.232 1.00 1.49 H new ATOM 0 HB2 ASP A 7 -15.425 -7.044 6.743 1.00 1.83 H new ATOM 0 HB3 ASP A 7 -16.776 -7.833 5.954 1.00 1.83 H new ATOM 124 N PRO A 8 -14.294 -10.841 6.887 1.00 1.73 N ATOM 125 CA PRO A 8 -12.959 -11.406 6.730 1.00 1.62 C ATOM 126 C PRO A 8 -12.463 -11.318 5.284 1.00 1.42 C ATOM 127 O PRO A 8 -13.222 -11.564 4.349 1.00 1.79 O ATOM 128 CB PRO A 8 -13.096 -12.867 7.173 1.00 2.04 C ATOM 129 CG PRO A 8 -14.538 -13.205 6.794 1.00 2.31 C ATOM 130 CD PRO A 8 -15.275 -11.896 7.080 1.00 2.14 C ATOM 0 HA PRO A 8 -12.225 -10.858 7.320 1.00 1.62 H new ATOM 0 HB2 PRO A 8 -12.382 -13.513 6.662 1.00 2.04 H new ATOM 0 HB3 PRO A 8 -12.922 -12.983 8.243 1.00 2.04 H new ATOM 0 HG2 PRO A 8 -14.624 -13.498 5.748 1.00 2.31 H new ATOM 0 HG3 PRO A 8 -14.931 -14.029 7.389 1.00 2.31 H new ATOM 0 HD2 PRO A 8 -16.123 -11.769 6.407 1.00 2.14 H new ATOM 0 HD3 PRO A 8 -15.669 -11.883 8.096 1.00 2.14 H new ATOM 138 N LEU A 9 -11.168 -11.030 5.104 1.00 1.01 N ATOM 139 CA LEU A 9 -10.479 -11.069 3.819 1.00 0.89 C ATOM 140 C LEU A 9 -9.233 -11.956 3.934 1.00 0.86 C ATOM 141 O LEU A 9 -8.725 -12.193 5.028 1.00 0.94 O ATOM 142 CB LEU A 9 -10.178 -9.686 3.220 1.00 0.89 C ATOM 143 CG LEU A 9 -10.199 -8.555 4.242 1.00 0.86 C ATOM 144 CD1 LEU A 9 -9.223 -7.464 3.820 1.00 0.96 C ATOM 145 CD2 LEU A 9 -11.618 -7.996 4.351 1.00 0.95 C ATOM 0 H LEU A 9 -10.558 -10.756 5.874 1.00 1.01 H new ATOM 0 HA LEU A 9 -11.163 -11.514 3.096 1.00 0.89 H new ATOM 0 HB2 LEU A 9 -9.199 -9.713 2.742 1.00 0.89 H new ATOM 0 HB3 LEU A 9 -10.908 -9.472 2.440 1.00 0.89 H new ATOM 0 HG LEU A 9 -9.894 -8.933 5.218 1.00 0.86 H new ATOM 0 HD11 LEU A 9 -9.240 -6.657 4.553 1.00 0.96 H new ATOM 0 HD12 LEU A 9 -8.217 -7.879 3.761 1.00 0.96 H new ATOM 0 HD13 LEU A 9 -9.513 -7.074 2.844 1.00 0.96 H new ATOM 0 HD21 LEU A 9 -11.635 -7.187 5.081 1.00 0.95 H new ATOM 0 HD22 LEU A 9 -11.935 -7.615 3.380 1.00 0.95 H new ATOM 0 HD23 LEU A 9 -12.297 -8.787 4.669 1.00 0.95 H new ATOM 157 N ASN A 10 -8.787 -12.480 2.791 1.00 0.81 N ATOM 158 CA ASN A 10 -7.617 -13.335 2.593 1.00 0.82 C ATOM 159 C ASN A 10 -7.183 -13.125 1.152 1.00 0.78 C ATOM 160 O ASN A 10 -7.267 -14.022 0.319 1.00 0.84 O ATOM 161 CB ASN A 10 -7.953 -14.813 2.848 1.00 0.90 C ATOM 162 CG ASN A 10 -8.210 -15.147 4.312 1.00 1.21 C ATOM 163 OD1 ASN A 10 -7.282 -15.452 5.054 1.00 1.85 O ATOM 164 ND2 ASN A 10 -9.472 -15.145 4.736 1.00 1.39 N ATOM 0 H ASN A 10 -9.273 -12.303 1.912 1.00 0.81 H new ATOM 0 HA ASN A 10 -6.823 -13.076 3.294 1.00 0.82 H new ATOM 0 HB2 ASN A 10 -8.834 -15.080 2.265 1.00 0.90 H new ATOM 0 HB3 ASN A 10 -7.131 -15.430 2.484 1.00 0.90 H new ATOM 0 HD21 ASN A 10 -9.687 -15.401 5.700 1.00 1.39 H new ATOM 0 HD22 ASN A 10 -10.224 -14.887 4.097 1.00 1.39 H new ATOM 171 N TYR A 11 -6.771 -11.900 0.847 1.00 0.76 N ATOM 172 CA TYR A 11 -6.514 -11.495 -0.524 1.00 0.78 C ATOM 173 C TYR A 11 -5.078 -11.844 -0.886 1.00 0.75 C ATOM 174 O TYR A 11 -4.165 -11.146 -0.453 1.00 0.68 O ATOM 175 CB TYR A 11 -6.801 -9.998 -0.617 1.00 0.83 C ATOM 176 CG TYR A 11 -6.949 -9.365 -1.994 1.00 1.21 C ATOM 177 CD1 TYR A 11 -6.610 -10.076 -3.161 1.00 2.50 C ATOM 178 CD2 TYR A 11 -7.658 -8.152 -2.110 1.00 1.81 C ATOM 179 CE1 TYR A 11 -7.181 -9.711 -4.387 1.00 2.71 C ATOM 180 CE2 TYR A 11 -8.100 -7.706 -3.372 1.00 1.83 C ATOM 181 CZ TYR A 11 -7.854 -8.487 -4.514 1.00 1.68 C ATOM 182 OH TYR A 11 -8.513 -8.223 -5.674 1.00 1.91 O ATOM 0 H TYR A 11 -6.608 -11.168 1.538 1.00 0.76 H new ATOM 0 HA TYR A 11 -7.153 -12.016 -1.236 1.00 0.78 H new ATOM 0 HB2 TYR A 11 -7.719 -9.803 -0.063 1.00 0.83 H new ATOM 0 HB3 TYR A 11 -5.998 -9.475 -0.098 1.00 0.83 H new ATOM 0 HD1 TYR A 11 -5.913 -10.899 -3.111 1.00 2.50 H new ATOM 0 HD2 TYR A 11 -7.863 -7.562 -1.229 1.00 1.81 H new ATOM 0 HE1 TYR A 11 -7.103 -10.374 -5.236 1.00 2.71 H new ATOM 0 HE2 TYR A 11 -8.626 -6.767 -3.461 1.00 1.83 H new ATOM 0 HH TYR A 11 -8.289 -7.319 -5.979 1.00 1.91 H new ATOM 192 N GLU A 12 -4.872 -12.893 -1.684 1.00 0.91 N ATOM 193 CA GLU A 12 -3.543 -13.423 -1.925 1.00 0.94 C ATOM 194 C GLU A 12 -2.765 -12.458 -2.826 1.00 0.85 C ATOM 195 O GLU A 12 -3.001 -12.356 -4.028 1.00 1.04 O ATOM 196 CB GLU A 12 -3.663 -14.820 -2.539 1.00 1.29 C ATOM 197 CG GLU A 12 -4.369 -15.786 -1.561 1.00 1.79 C ATOM 198 CD GLU A 12 -5.633 -16.432 -2.113 1.00 2.81 C ATOM 199 OE1 GLU A 12 -6.141 -16.006 -3.168 1.00 4.01 O ATOM 200 OE2 GLU A 12 -6.169 -17.358 -1.466 1.00 3.30 O ATOM 0 H GLU A 12 -5.617 -13.389 -2.173 1.00 0.91 H new ATOM 0 HA GLU A 12 -2.990 -13.517 -0.990 1.00 0.94 H new ATOM 0 HB2 GLU A 12 -4.223 -14.766 -3.473 1.00 1.29 H new ATOM 0 HB3 GLU A 12 -2.672 -15.202 -2.784 1.00 1.29 H new ATOM 0 HG2 GLU A 12 -3.669 -16.572 -1.278 1.00 1.79 H new ATOM 0 HG3 GLU A 12 -4.622 -15.241 -0.651 1.00 1.79 H new ATOM 207 N VAL A 13 -1.847 -11.733 -2.192 1.00 0.65 N ATOM 208 CA VAL A 13 -0.984 -10.718 -2.758 1.00 0.64 C ATOM 209 C VAL A 13 0.153 -11.435 -3.491 1.00 0.77 C ATOM 210 O VAL A 13 0.638 -12.469 -3.029 1.00 0.82 O ATOM 211 CB VAL A 13 -0.532 -9.787 -1.608 1.00 0.64 C ATOM 212 CG1 VAL A 13 0.945 -9.923 -1.260 1.00 2.24 C ATOM 213 CG2 VAL A 13 -0.818 -8.311 -1.866 1.00 1.98 C ATOM 0 H VAL A 13 -1.680 -11.855 -1.193 1.00 0.65 H new ATOM 0 HA VAL A 13 -1.476 -10.081 -3.493 1.00 0.64 H new ATOM 0 HB VAL A 13 -1.135 -10.127 -0.766 1.00 0.64 H new ATOM 0 HG11 VAL A 13 1.191 -9.241 -0.446 1.00 2.24 H new ATOM 0 HG12 VAL A 13 1.153 -10.947 -0.951 1.00 2.24 H new ATOM 0 HG13 VAL A 13 1.549 -9.678 -2.134 1.00 2.24 H new ATOM 0 HG21 VAL A 13 -0.474 -7.720 -1.017 1.00 1.98 H new ATOM 0 HG22 VAL A 13 -0.295 -7.991 -2.767 1.00 1.98 H new ATOM 0 HG23 VAL A 13 -1.890 -8.166 -1.998 1.00 1.98 H new ATOM 223 N GLU A 14 0.553 -10.931 -4.660 1.00 1.11 N ATOM 224 CA GLU A 14 1.404 -11.719 -5.548 1.00 1.21 C ATOM 225 C GLU A 14 2.870 -11.729 -5.085 1.00 0.89 C ATOM 226 O GLU A 14 3.453 -10.655 -4.929 1.00 0.85 O ATOM 227 CB GLU A 14 1.287 -11.243 -6.993 1.00 1.57 C ATOM 228 CG GLU A 14 1.634 -12.374 -7.966 1.00 1.83 C ATOM 229 CD GLU A 14 1.645 -11.892 -9.407 1.00 3.29 C ATOM 230 OE1 GLU A 14 2.280 -10.849 -9.659 1.00 4.77 O ATOM 231 OE2 GLU A 14 0.987 -12.574 -10.223 1.00 3.70 O ATOM 0 H GLU A 14 0.308 -10.003 -5.006 1.00 1.11 H new ATOM 0 HA GLU A 14 1.046 -12.747 -5.502 1.00 1.21 H new ATOM 0 HB2 GLU A 14 0.273 -10.891 -7.184 1.00 1.57 H new ATOM 0 HB3 GLU A 14 1.955 -10.397 -7.158 1.00 1.57 H new ATOM 0 HG2 GLU A 14 2.611 -12.785 -7.712 1.00 1.83 H new ATOM 0 HG3 GLU A 14 0.910 -13.182 -7.858 1.00 1.83 H new ATOM 238 N PRO A 15 3.497 -12.904 -4.880 1.00 0.82 N ATOM 239 CA PRO A 15 4.934 -13.003 -4.672 1.00 0.65 C ATOM 240 C PRO A 15 5.697 -12.497 -5.898 1.00 0.58 C ATOM 241 O PRO A 15 5.383 -12.898 -7.017 1.00 0.62 O ATOM 242 CB PRO A 15 5.231 -14.484 -4.415 1.00 0.76 C ATOM 243 CG PRO A 15 3.879 -15.053 -3.984 1.00 1.00 C ATOM 244 CD PRO A 15 2.891 -14.222 -4.800 1.00 1.04 C ATOM 0 HA PRO A 15 5.253 -12.388 -3.831 1.00 0.65 H new ATOM 0 HB2 PRO A 15 5.607 -14.979 -5.311 1.00 0.76 H new ATOM 0 HB3 PRO A 15 5.986 -14.613 -3.639 1.00 0.76 H new ATOM 0 HG2 PRO A 15 3.797 -16.116 -4.209 1.00 1.00 H new ATOM 0 HG3 PRO A 15 3.715 -14.940 -2.912 1.00 1.00 H new ATOM 0 HD2 PRO A 15 2.738 -14.649 -5.791 1.00 1.04 H new ATOM 0 HD3 PRO A 15 1.915 -14.181 -4.317 1.00 1.04 H new ATOM 252 N PHE A 16 6.707 -11.646 -5.699 1.00 0.53 N ATOM 253 CA PHE A 16 7.550 -11.098 -6.747 1.00 0.54 C ATOM 254 C PHE A 16 8.687 -10.354 -6.037 1.00 0.48 C ATOM 255 O PHE A 16 8.686 -10.271 -4.803 1.00 0.49 O ATOM 256 CB PHE A 16 6.733 -10.196 -7.692 1.00 0.75 C ATOM 257 CG PHE A 16 7.504 -9.662 -8.882 1.00 0.94 C ATOM 258 CD1 PHE A 16 7.858 -10.532 -9.930 1.00 2.16 C ATOM 259 CD2 PHE A 16 7.982 -8.337 -8.884 1.00 2.23 C ATOM 260 CE1 PHE A 16 8.690 -10.081 -10.971 1.00 2.30 C ATOM 261 CE2 PHE A 16 8.838 -7.899 -9.906 1.00 2.55 C ATOM 262 CZ PHE A 16 9.186 -8.766 -10.955 1.00 1.73 C ATOM 0 H PHE A 16 6.963 -11.313 -4.770 1.00 0.53 H new ATOM 0 HA PHE A 16 7.964 -11.876 -7.388 1.00 0.54 H new ATOM 0 HB2 PHE A 16 5.873 -10.759 -8.056 1.00 0.75 H new ATOM 0 HB3 PHE A 16 6.343 -9.353 -7.121 1.00 0.75 H new ATOM 0 HD1 PHE A 16 7.490 -11.547 -9.935 1.00 2.16 H new ATOM 0 HD2 PHE A 16 7.689 -7.657 -8.098 1.00 2.23 H new ATOM 0 HE1 PHE A 16 8.948 -10.745 -11.783 1.00 2.30 H new ATOM 0 HE2 PHE A 16 9.230 -6.893 -9.886 1.00 2.55 H new ATOM 0 HZ PHE A 16 9.834 -8.423 -11.748 1.00 1.73 H new ATOM 272 N THR A 17 9.651 -9.855 -6.813 1.00 0.50 N ATOM 273 CA THR A 17 10.859 -9.204 -6.345 1.00 0.52 C ATOM 274 C THR A 17 10.808 -7.712 -6.684 1.00 0.48 C ATOM 275 O THR A 17 11.134 -7.311 -7.801 1.00 0.81 O ATOM 276 CB THR A 17 12.075 -9.907 -6.959 1.00 0.62 C ATOM 277 OG1 THR A 17 11.919 -11.309 -6.842 1.00 0.83 O ATOM 278 CG2 THR A 17 13.333 -9.500 -6.195 1.00 0.69 C ATOM 0 H THR A 17 9.601 -9.900 -7.831 1.00 0.50 H new ATOM 0 HA THR A 17 10.943 -9.281 -5.261 1.00 0.52 H new ATOM 0 HB THR A 17 12.160 -9.624 -8.008 1.00 0.62 H new ATOM 0 HG1 THR A 17 12.696 -11.759 -7.236 1.00 0.83 H new ATOM 0 HG21 THR A 17 14.200 -9.998 -6.629 1.00 0.69 H new ATOM 0 HG22 THR A 17 13.465 -8.420 -6.260 1.00 0.69 H new ATOM 0 HG23 THR A 17 13.234 -9.791 -5.149 1.00 0.69 H new ATOM 286 N PHE A 18 10.439 -6.885 -5.708 1.00 0.37 N ATOM 287 CA PHE A 18 10.185 -5.465 -5.901 1.00 0.40 C ATOM 288 C PHE A 18 11.450 -4.690 -5.550 1.00 0.38 C ATOM 289 O PHE A 18 12.405 -5.255 -5.005 1.00 0.33 O ATOM 290 CB PHE A 18 9.059 -5.017 -4.961 1.00 0.48 C ATOM 291 CG PHE A 18 7.897 -5.985 -4.867 1.00 0.52 C ATOM 292 CD1 PHE A 18 6.975 -6.078 -5.923 1.00 1.42 C ATOM 293 CD2 PHE A 18 7.801 -6.865 -3.773 1.00 1.77 C ATOM 294 CE1 PHE A 18 5.965 -7.053 -5.887 1.00 1.47 C ATOM 295 CE2 PHE A 18 6.786 -7.835 -3.735 1.00 1.82 C ATOM 296 CZ PHE A 18 5.864 -7.927 -4.790 1.00 0.79 C ATOM 0 H PHE A 18 10.307 -7.192 -4.744 1.00 0.37 H new ATOM 0 HA PHE A 18 9.898 -5.279 -6.936 1.00 0.40 H new ATOM 0 HB2 PHE A 18 9.473 -4.868 -3.964 1.00 0.48 H new ATOM 0 HB3 PHE A 18 8.684 -4.051 -5.298 1.00 0.48 H new ATOM 0 HD1 PHE A 18 7.043 -5.401 -6.761 1.00 1.42 H new ATOM 0 HD2 PHE A 18 8.509 -6.794 -2.961 1.00 1.77 H new ATOM 0 HE1 PHE A 18 5.264 -7.132 -6.704 1.00 1.47 H new ATOM 0 HE2 PHE A 18 6.715 -8.510 -2.895 1.00 1.82 H new ATOM 0 HZ PHE A 18 5.079 -8.668 -4.759 1.00 0.79 H new ATOM 306 N GLN A 19 11.475 -3.398 -5.881 1.00 0.44 N ATOM 307 CA GLN A 19 12.535 -2.507 -5.454 1.00 0.41 C ATOM 308 C GLN A 19 11.929 -1.305 -4.736 1.00 0.39 C ATOM 309 O GLN A 19 10.995 -0.671 -5.240 1.00 0.38 O ATOM 310 CB GLN A 19 13.422 -2.062 -6.609 1.00 0.47 C ATOM 311 CG GLN A 19 14.267 -3.199 -7.202 1.00 0.60 C ATOM 312 CD GLN A 19 13.505 -4.118 -8.156 1.00 2.16 C ATOM 313 OE1 GLN A 19 13.179 -5.334 -7.717 1.00 2.32 O flip ATOM 314 NE2 GLN A 19 13.235 -3.733 -9.287 1.00 3.91 N flip ATOM 0 H GLN A 19 10.759 -2.948 -6.452 1.00 0.44 H new ATOM 0 HA GLN A 19 13.179 -3.056 -4.767 1.00 0.41 H new ATOM 0 HB2 GLN A 19 12.797 -1.636 -7.394 1.00 0.47 H new ATOM 0 HB3 GLN A 19 14.085 -1.269 -6.264 1.00 0.47 H new ATOM 0 HG2 GLN A 19 15.115 -2.767 -7.733 1.00 0.60 H new ATOM 0 HG3 GLN A 19 14.673 -3.798 -6.386 1.00 0.60 H new ATOM 0 HE21 GLN A 19 13.502 -2.794 -9.584 1.00 3.91 H new ATOM 0 HE22 GLN A 19 12.743 -4.351 -9.932 1.00 3.91 H new ATOM 323 N ASN A 20 12.473 -1.015 -3.559 1.00 0.44 N ATOM 324 CA ASN A 20 12.108 0.125 -2.729 1.00 0.46 C ATOM 325 C ASN A 20 12.970 1.344 -3.039 1.00 0.62 C ATOM 326 O ASN A 20 14.042 1.226 -3.631 1.00 0.94 O ATOM 327 CB ASN A 20 12.149 -0.230 -1.233 1.00 0.51 C ATOM 328 CG ASN A 20 13.565 -0.367 -0.684 1.00 0.80 C ATOM 329 OD1 ASN A 20 14.154 -1.441 -0.740 1.00 2.34 O ATOM 330 ND2 ASN A 20 14.134 0.718 -0.165 1.00 1.12 N ATOM 0 H ASN A 20 13.207 -1.589 -3.143 1.00 0.44 H new ATOM 0 HA ASN A 20 11.078 0.387 -2.973 1.00 0.46 H new ATOM 0 HB2 ASN A 20 11.621 0.539 -0.670 1.00 0.51 H new ATOM 0 HB3 ASN A 20 11.613 -1.166 -1.074 1.00 0.51 H new ATOM 0 HD21 ASN A 20 15.085 0.670 0.200 1.00 1.12 H new ATOM 0 HD22 ASN A 20 13.619 1.598 -0.132 1.00 1.12 H new ATOM 337 N GLN A 21 12.480 2.512 -2.611 1.00 0.55 N ATOM 338 CA GLN A 21 13.013 3.853 -2.861 1.00 0.70 C ATOM 339 C GLN A 21 14.531 4.041 -2.697 1.00 0.73 C ATOM 340 O GLN A 21 15.080 4.989 -3.253 1.00 0.88 O ATOM 341 CB GLN A 21 12.220 4.889 -2.044 1.00 0.90 C ATOM 342 CG GLN A 21 12.015 4.547 -0.553 1.00 1.09 C ATOM 343 CD GLN A 21 13.302 4.503 0.266 1.00 1.51 C ATOM 344 OE1 GLN A 21 14.181 5.338 0.091 1.00 2.34 O ATOM 345 NE2 GLN A 21 13.419 3.551 1.189 1.00 1.76 N ATOM 0 H GLN A 21 11.637 2.546 -2.038 1.00 0.55 H new ATOM 0 HA GLN A 21 12.871 4.012 -3.930 1.00 0.70 H new ATOM 0 HB2 GLN A 21 12.733 5.848 -2.111 1.00 0.90 H new ATOM 0 HB3 GLN A 21 11.242 5.018 -2.507 1.00 0.90 H new ATOM 0 HG2 GLN A 21 11.343 5.284 -0.113 1.00 1.09 H new ATOM 0 HG3 GLN A 21 11.519 3.579 -0.480 1.00 1.09 H new ATOM 0 HE21 GLN A 21 12.672 2.868 1.314 1.00 1.76 H new ATOM 0 HE22 GLN A 21 14.255 3.505 1.771 1.00 1.76 H new ATOM 354 N ASP A 22 15.211 3.147 -1.975 1.00 0.74 N ATOM 355 CA ASP A 22 16.659 3.175 -1.801 1.00 0.79 C ATOM 356 C ASP A 22 17.377 2.640 -3.055 1.00 0.74 C ATOM 357 O ASP A 22 18.601 2.654 -3.142 1.00 0.97 O ATOM 358 CB ASP A 22 16.977 2.338 -0.555 1.00 1.04 C ATOM 359 CG ASP A 22 18.445 2.377 -0.158 1.00 2.24 C ATOM 360 OD1 ASP A 22 18.944 3.503 0.051 1.00 2.62 O ATOM 361 OD2 ASP A 22 19.013 1.273 -0.011 1.00 3.76 O ATOM 0 H ASP A 22 14.760 2.372 -1.488 1.00 0.74 H new ATOM 0 HA ASP A 22 17.017 4.196 -1.666 1.00 0.79 H new ATOM 0 HB2 ASP A 22 16.373 2.697 0.278 1.00 1.04 H new ATOM 0 HB3 ASP A 22 16.685 1.304 -0.737 1.00 1.04 H new ATOM 366 N GLY A 23 16.615 2.163 -4.048 1.00 0.69 N ATOM 367 CA GLY A 23 17.136 1.477 -5.220 1.00 0.82 C ATOM 368 C GLY A 23 17.509 0.044 -4.850 1.00 0.91 C ATOM 369 O GLY A 23 18.425 -0.534 -5.430 1.00 1.21 O ATOM 0 H GLY A 23 15.599 2.249 -4.052 1.00 0.69 H new ATOM 0 HA2 GLY A 23 16.390 1.476 -6.015 1.00 0.82 H new ATOM 0 HA3 GLY A 23 18.010 2.004 -5.604 1.00 0.82 H new ATOM 373 N LYS A 24 16.804 -0.517 -3.863 1.00 0.79 N ATOM 374 CA LYS A 24 17.199 -1.707 -3.145 1.00 0.81 C ATOM 375 C LYS A 24 16.106 -2.767 -3.272 1.00 0.59 C ATOM 376 O LYS A 24 14.922 -2.445 -3.331 1.00 0.64 O ATOM 377 CB LYS A 24 17.447 -1.248 -1.711 1.00 1.01 C ATOM 378 CG LYS A 24 18.071 -2.287 -0.789 1.00 0.92 C ATOM 379 CD LYS A 24 17.009 -3.032 0.033 1.00 1.50 C ATOM 380 CE LYS A 24 17.624 -4.192 0.826 1.00 2.07 C ATOM 381 NZ LYS A 24 17.777 -5.415 0.008 1.00 3.16 N ATOM 0 H LYS A 24 15.916 -0.134 -3.540 1.00 0.79 H new ATOM 0 HA LYS A 24 18.101 -2.177 -3.538 1.00 0.81 H new ATOM 0 HB2 LYS A 24 18.096 -0.373 -1.735 1.00 1.01 H new ATOM 0 HB3 LYS A 24 16.498 -0.929 -1.281 1.00 1.01 H new ATOM 0 HG2 LYS A 24 18.640 -3.003 -1.381 1.00 0.92 H new ATOM 0 HG3 LYS A 24 18.775 -1.799 -0.115 1.00 0.92 H new ATOM 0 HD2 LYS A 24 16.525 -2.337 0.719 1.00 1.50 H new ATOM 0 HD3 LYS A 24 16.235 -3.415 -0.632 1.00 1.50 H new ATOM 0 HE2 LYS A 24 18.599 -3.890 1.209 1.00 2.07 H new ATOM 0 HE3 LYS A 24 16.996 -4.412 1.689 1.00 2.07 H new ATOM 0 HZ1 LYS A 24 18.402 -6.086 0.500 1.00 3.16 H new ATOM 0 HZ2 LYS A 24 16.845 -5.853 -0.139 1.00 3.16 H new ATOM 0 HZ3 LYS A 24 18.192 -5.167 -0.913 1.00 3.16 H new ATOM 395 N ASN A 25 16.519 -4.032 -3.354 1.00 0.49 N ATOM 396 CA ASN A 25 15.672 -5.180 -3.654 1.00 0.46 C ATOM 397 C ASN A 25 14.944 -5.690 -2.411 1.00 0.45 C ATOM 398 O ASN A 25 15.569 -5.871 -1.365 1.00 0.54 O ATOM 399 CB ASN A 25 16.540 -6.299 -4.249 1.00 0.58 C ATOM 400 CG ASN A 25 17.605 -6.814 -3.275 1.00 2.34 C ATOM 401 OD1 ASN A 25 18.229 -6.040 -2.543 1.00 3.27 O ATOM 402 ND2 ASN A 25 17.825 -8.125 -3.243 1.00 3.29 N ATOM 0 H ASN A 25 17.494 -4.292 -3.207 1.00 0.49 H new ATOM 0 HA ASN A 25 14.912 -4.868 -4.371 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.899 -7.128 -4.549 1.00 0.58 H new ATOM 0 HB3 ASN A 25 17.028 -5.931 -5.151 1.00 0.58 H new ATOM 0 HD21 ASN A 25 18.521 -8.510 -2.605 1.00 3.29 H new ATOM 0 HD22 ASN A 25 17.298 -8.746 -3.857 1.00 3.29 H new ATOM 409 N VAL A 26 13.643 -5.968 -2.518 1.00 0.37 N ATOM 410 CA VAL A 26 12.858 -6.596 -1.468 1.00 0.37 C ATOM 411 C VAL A 26 11.842 -7.530 -2.131 1.00 0.38 C ATOM 412 O VAL A 26 11.112 -7.106 -3.026 1.00 0.45 O ATOM 413 CB VAL A 26 12.181 -5.528 -0.588 1.00 0.39 C ATOM 414 CG1 VAL A 26 13.184 -4.823 0.334 1.00 0.94 C ATOM 415 CG2 VAL A 26 11.436 -4.449 -1.382 1.00 0.86 C ATOM 0 H VAL A 26 13.101 -5.756 -3.356 1.00 0.37 H new ATOM 0 HA VAL A 26 13.497 -7.180 -0.806 1.00 0.37 H new ATOM 0 HB VAL A 26 11.454 -6.091 -0.003 1.00 0.39 H new ATOM 0 HG11 VAL A 26 12.663 -4.078 0.936 1.00 0.94 H new ATOM 0 HG12 VAL A 26 13.653 -5.556 0.990 1.00 0.94 H new ATOM 0 HG13 VAL A 26 13.949 -4.333 -0.268 1.00 0.94 H new ATOM 0 HG21 VAL A 26 10.987 -3.735 -0.692 1.00 0.86 H new ATOM 0 HG22 VAL A 26 12.136 -3.930 -2.037 1.00 0.86 H new ATOM 0 HG23 VAL A 26 10.654 -4.914 -1.983 1.00 0.86 H new ATOM 425 N SER A 27 11.806 -8.801 -1.724 1.00 0.46 N ATOM 426 CA SER A 27 10.860 -9.770 -2.261 1.00 0.50 C ATOM 427 C SER A 27 9.691 -9.895 -1.297 1.00 0.49 C ATOM 428 O SER A 27 9.829 -9.545 -0.125 1.00 0.48 O ATOM 429 CB SER A 27 11.544 -11.126 -2.476 1.00 0.53 C ATOM 430 OG SER A 27 12.872 -10.960 -2.939 1.00 1.88 O ATOM 0 H SER A 27 12.432 -9.182 -1.015 1.00 0.46 H new ATOM 0 HA SER A 27 10.493 -9.432 -3.230 1.00 0.50 H new ATOM 0 HB2 SER A 27 11.549 -11.686 -1.541 1.00 0.53 H new ATOM 0 HB3 SER A 27 10.975 -11.713 -3.197 1.00 0.53 H new ATOM 0 HG SER A 27 13.286 -11.839 -3.066 1.00 1.88 H new ATOM 436 N LEU A 28 8.550 -10.425 -1.738 1.00 0.53 N ATOM 437 CA LEU A 28 7.469 -10.687 -0.798 1.00 0.52 C ATOM 438 C LEU A 28 7.953 -11.569 0.357 1.00 0.46 C ATOM 439 O LEU A 28 7.592 -11.332 1.508 1.00 0.55 O ATOM 440 CB LEU A 28 6.274 -11.306 -1.522 1.00 0.59 C ATOM 441 CG LEU A 28 4.946 -10.914 -0.870 1.00 0.65 C ATOM 442 CD1 LEU A 28 4.518 -9.496 -1.270 1.00 1.04 C ATOM 443 CD2 LEU A 28 3.880 -11.903 -1.334 1.00 1.13 C ATOM 0 H LEU A 28 8.356 -10.673 -2.708 1.00 0.53 H new ATOM 0 HA LEU A 28 7.143 -9.741 -0.367 1.00 0.52 H new ATOM 0 HB2 LEU A 28 6.275 -10.986 -2.564 1.00 0.59 H new ATOM 0 HB3 LEU A 28 6.372 -12.392 -1.522 1.00 0.59 H new ATOM 0 HG LEU A 28 5.066 -10.936 0.213 1.00 0.65 H new ATOM 0 HD11 LEU A 28 3.571 -9.252 -0.788 1.00 1.04 H new ATOM 0 HD12 LEU A 28 5.280 -8.783 -0.954 1.00 1.04 H new ATOM 0 HD13 LEU A 28 4.399 -9.444 -2.352 1.00 1.04 H new ATOM 0 HD21 LEU A 28 2.922 -11.644 -0.882 1.00 1.13 H new ATOM 0 HD22 LEU A 28 3.792 -11.861 -2.420 1.00 1.13 H new ATOM 0 HD23 LEU A 28 4.163 -12.911 -1.032 1.00 1.13 H new ATOM 455 N GLU A 29 8.794 -12.561 0.087 1.00 0.45 N ATOM 456 CA GLU A 29 9.408 -13.421 1.078 1.00 0.57 C ATOM 457 C GLU A 29 10.178 -12.638 2.138 1.00 0.46 C ATOM 458 O GLU A 29 10.250 -13.067 3.283 1.00 0.54 O ATOM 459 CB GLU A 29 10.296 -14.450 0.405 1.00 0.84 C ATOM 460 CG GLU A 29 9.534 -15.233 -0.682 1.00 1.18 C ATOM 461 CD GLU A 29 9.786 -14.650 -2.087 1.00 2.12 C ATOM 462 OE1 GLU A 29 9.403 -13.474 -2.290 1.00 3.16 O ATOM 463 OE2 GLU A 29 10.374 -15.383 -2.913 1.00 2.94 O ATOM 0 H GLU A 29 9.074 -12.793 -0.866 1.00 0.45 H new ATOM 0 HA GLU A 29 8.604 -13.938 1.601 1.00 0.57 H new ATOM 0 HB2 GLU A 29 11.157 -13.952 -0.041 1.00 0.84 H new ATOM 0 HB3 GLU A 29 10.680 -15.144 1.152 1.00 0.84 H new ATOM 0 HG2 GLU A 29 9.842 -16.278 -0.661 1.00 1.18 H new ATOM 0 HG3 GLU A 29 8.466 -15.211 -0.465 1.00 1.18 H new ATOM 470 N SER A 30 10.726 -11.478 1.771 1.00 0.41 N ATOM 471 CA SER A 30 11.383 -10.584 2.712 1.00 0.47 C ATOM 472 C SER A 30 10.429 -10.016 3.778 1.00 0.46 C ATOM 473 O SER A 30 10.896 -9.356 4.704 1.00 0.59 O ATOM 474 CB SER A 30 12.109 -9.477 1.961 1.00 0.60 C ATOM 475 OG SER A 30 12.695 -9.941 0.754 1.00 1.47 O ATOM 0 H SER A 30 10.724 -11.136 0.810 1.00 0.41 H new ATOM 0 HA SER A 30 12.114 -11.176 3.262 1.00 0.47 H new ATOM 0 HB2 SER A 30 11.408 -8.673 1.737 1.00 0.60 H new ATOM 0 HB3 SER A 30 12.884 -9.055 2.600 1.00 0.60 H new ATOM 0 HG SER A 30 13.495 -9.412 0.554 1.00 1.47 H new ATOM 481 N LEU A 31 9.114 -10.206 3.614 1.00 0.44 N ATOM 482 CA LEU A 31 8.064 -9.724 4.501 1.00 0.50 C ATOM 483 C LEU A 31 7.166 -10.869 4.995 1.00 0.54 C ATOM 484 O LEU A 31 6.704 -10.857 6.134 1.00 0.67 O ATOM 485 CB LEU A 31 7.227 -8.699 3.729 1.00 0.53 C ATOM 486 CG LEU A 31 8.049 -7.512 3.209 1.00 0.50 C ATOM 487 CD1 LEU A 31 7.232 -6.743 2.170 1.00 0.56 C ATOM 488 CD2 LEU A 31 8.435 -6.603 4.377 1.00 0.52 C ATOM 0 H LEU A 31 8.742 -10.726 2.819 1.00 0.44 H new ATOM 0 HA LEU A 31 8.520 -9.271 5.381 1.00 0.50 H new ATOM 0 HB2 LEU A 31 6.745 -9.195 2.887 1.00 0.53 H new ATOM 0 HB3 LEU A 31 6.433 -8.326 4.377 1.00 0.53 H new ATOM 0 HG LEU A 31 8.962 -7.874 2.736 1.00 0.50 H new ATOM 0 HD11 LEU A 31 7.815 -5.900 1.800 1.00 0.56 H new ATOM 0 HD12 LEU A 31 6.984 -7.405 1.340 1.00 0.56 H new ATOM 0 HD13 LEU A 31 6.314 -6.376 2.628 1.00 0.56 H new ATOM 0 HD21 LEU A 31 9.019 -5.761 4.005 1.00 0.52 H new ATOM 0 HD22 LEU A 31 7.533 -6.233 4.863 1.00 0.52 H new ATOM 0 HD23 LEU A 31 9.029 -7.167 5.096 1.00 0.52 H new ATOM 500 N LYS A 32 6.877 -11.845 4.131 1.00 0.63 N ATOM 501 CA LYS A 32 6.063 -13.006 4.463 1.00 0.65 C ATOM 502 C LYS A 32 6.559 -13.652 5.759 1.00 0.67 C ATOM 503 O LYS A 32 7.761 -13.744 5.994 1.00 0.92 O ATOM 504 CB LYS A 32 6.063 -14.012 3.302 1.00 0.73 C ATOM 505 CG LYS A 32 4.667 -14.208 2.694 1.00 1.55 C ATOM 506 CD LYS A 32 4.706 -14.223 1.170 1.00 2.62 C ATOM 507 CE LYS A 32 5.116 -15.570 0.563 1.00 2.74 C ATOM 508 NZ LYS A 32 6.465 -15.989 0.989 1.00 3.49 N ATOM 0 H LYS A 32 7.210 -11.846 3.167 1.00 0.63 H new ATOM 0 HA LYS A 32 5.035 -12.680 4.623 1.00 0.65 H new ATOM 0 HB2 LYS A 32 6.748 -13.668 2.527 1.00 0.73 H new ATOM 0 HB3 LYS A 32 6.439 -14.971 3.657 1.00 0.73 H new ATOM 0 HG2 LYS A 32 4.242 -15.145 3.055 1.00 1.55 H new ATOM 0 HG3 LYS A 32 4.008 -13.408 3.032 1.00 1.55 H new ATOM 0 HD2 LYS A 32 3.721 -13.951 0.790 1.00 2.62 H new ATOM 0 HD3 LYS A 32 5.402 -13.457 0.828 1.00 2.62 H new ATOM 0 HE2 LYS A 32 4.393 -16.332 0.853 1.00 2.74 H new ATOM 0 HE3 LYS A 32 5.086 -15.500 -0.524 1.00 2.74 H new ATOM 0 HZ1 LYS A 32 6.863 -16.644 0.286 1.00 3.49 H new ATOM 0 HZ2 LYS A 32 7.079 -15.153 1.070 1.00 3.49 H new ATOM 0 HZ3 LYS A 32 6.405 -16.465 1.912 1.00 3.49 H new ATOM 522 N GLY A 33 5.621 -14.081 6.600 1.00 0.53 N ATOM 523 CA GLY A 33 5.877 -14.488 7.971 1.00 0.53 C ATOM 524 C GLY A 33 5.410 -13.396 8.930 1.00 0.49 C ATOM 525 O GLY A 33 4.744 -13.701 9.916 1.00 0.55 O ATOM 0 H GLY A 33 4.639 -14.155 6.336 1.00 0.53 H new ATOM 0 HA2 GLY A 33 5.356 -15.421 8.186 1.00 0.53 H new ATOM 0 HA3 GLY A 33 6.941 -14.677 8.111 1.00 0.53 H new ATOM 529 N GLU A 34 5.731 -12.135 8.629 1.00 0.47 N ATOM 530 CA GLU A 34 5.399 -11.000 9.479 1.00 0.45 C ATOM 531 C GLU A 34 4.051 -10.389 9.080 1.00 0.39 C ATOM 532 O GLU A 34 3.570 -10.583 7.966 1.00 0.46 O ATOM 533 CB GLU A 34 6.558 -9.990 9.403 1.00 0.53 C ATOM 534 CG GLU A 34 7.775 -10.468 10.213 1.00 0.82 C ATOM 535 CD GLU A 34 7.588 -10.321 11.722 1.00 2.16 C ATOM 536 OE1 GLU A 34 6.956 -11.221 12.313 1.00 2.92 O ATOM 537 OE2 GLU A 34 8.072 -9.304 12.263 1.00 3.46 O ATOM 0 H GLU A 34 6.233 -11.876 7.780 1.00 0.47 H new ATOM 0 HA GLU A 34 5.281 -11.319 10.515 1.00 0.45 H new ATOM 0 HB2 GLU A 34 6.847 -9.843 8.362 1.00 0.53 H new ATOM 0 HB3 GLU A 34 6.225 -9.023 9.781 1.00 0.53 H new ATOM 0 HG2 GLU A 34 7.972 -11.514 9.978 1.00 0.82 H new ATOM 0 HG3 GLU A 34 8.654 -9.901 9.905 1.00 0.82 H new ATOM 544 N VAL A 35 3.429 -9.647 10.000 1.00 0.33 N ATOM 545 CA VAL A 35 2.182 -8.921 9.772 1.00 0.33 C ATOM 546 C VAL A 35 2.523 -7.505 9.338 1.00 0.34 C ATOM 547 O VAL A 35 2.420 -6.541 10.093 1.00 0.40 O ATOM 548 CB VAL A 35 1.280 -9.013 11.012 1.00 0.37 C ATOM 549 CG1 VAL A 35 1.904 -8.544 12.338 1.00 0.38 C ATOM 550 CG2 VAL A 35 -0.070 -8.329 10.776 1.00 0.43 C ATOM 0 H VAL A 35 3.790 -9.533 10.947 1.00 0.33 H new ATOM 0 HA VAL A 35 1.599 -9.367 8.966 1.00 0.33 H new ATOM 0 HB VAL A 35 1.133 -10.085 11.144 1.00 0.37 H new ATOM 0 HG11 VAL A 35 1.176 -8.655 13.142 1.00 0.38 H new ATOM 0 HG12 VAL A 35 2.784 -9.148 12.560 1.00 0.38 H new ATOM 0 HG13 VAL A 35 2.194 -7.497 12.253 1.00 0.38 H new ATOM 0 HG21 VAL A 35 -0.682 -8.413 11.674 1.00 0.43 H new ATOM 0 HG22 VAL A 35 0.091 -7.276 10.544 1.00 0.43 H new ATOM 0 HG23 VAL A 35 -0.581 -8.810 9.942 1.00 0.43 H new ATOM 560 N TRP A 36 2.977 -7.398 8.098 1.00 0.40 N ATOM 561 CA TRP A 36 3.462 -6.149 7.564 1.00 0.41 C ATOM 562 C TRP A 36 2.287 -5.342 7.020 1.00 0.42 C ATOM 563 O TRP A 36 1.307 -5.883 6.503 1.00 0.44 O ATOM 564 CB TRP A 36 4.555 -6.434 6.536 1.00 0.43 C ATOM 565 CG TRP A 36 4.150 -7.263 5.366 1.00 0.43 C ATOM 566 CD1 TRP A 36 4.055 -8.609 5.306 1.00 0.45 C ATOM 567 CD2 TRP A 36 3.831 -6.782 4.042 1.00 0.45 C ATOM 568 NE1 TRP A 36 3.706 -8.988 4.028 1.00 0.48 N ATOM 569 CE2 TRP A 36 3.606 -7.896 3.188 1.00 0.49 C ATOM 570 CE3 TRP A 36 3.738 -5.498 3.484 1.00 0.47 C ATOM 571 CZ2 TRP A 36 3.336 -7.734 1.823 1.00 0.55 C ATOM 572 CZ3 TRP A 36 3.394 -5.323 2.135 1.00 0.52 C ATOM 573 CH2 TRP A 36 3.239 -6.433 1.296 1.00 0.55 C ATOM 0 H TRP A 36 3.017 -8.177 7.441 1.00 0.40 H new ATOM 0 HA TRP A 36 3.921 -5.534 8.338 1.00 0.41 H new ATOM 0 HB2 TRP A 36 4.937 -5.482 6.167 1.00 0.43 H new ATOM 0 HB3 TRP A 36 5.381 -6.934 7.042 1.00 0.43 H new ATOM 0 HD1 TRP A 36 4.226 -9.284 6.132 1.00 0.45 H new ATOM 0 HE1 TRP A 36 3.542 -9.952 3.739 1.00 0.48 H new ATOM 0 HE3 TRP A 36 3.934 -4.633 4.101 1.00 0.47 H new ATOM 0 HZ2 TRP A 36 3.204 -8.595 1.185 1.00 0.55 H new ATOM 0 HZ3 TRP A 36 3.248 -4.328 1.742 1.00 0.52 H new ATOM 0 HH2 TRP A 36 3.045 -6.291 0.243 1.00 0.55 H new ATOM 584 N LEU A 37 2.369 -4.026 7.192 1.00 0.48 N ATOM 585 CA LEU A 37 1.339 -3.125 6.739 1.00 0.52 C ATOM 586 C LEU A 37 1.693 -2.727 5.309 1.00 0.55 C ATOM 587 O LEU A 37 2.865 -2.589 4.982 1.00 0.61 O ATOM 588 CB LEU A 37 1.267 -1.922 7.686 1.00 0.57 C ATOM 589 CG LEU A 37 1.142 -2.267 9.186 1.00 0.56 C ATOM 590 CD1 LEU A 37 0.810 -0.982 9.954 1.00 0.81 C ATOM 591 CD2 LEU A 37 0.040 -3.300 9.456 1.00 0.64 C ATOM 0 H LEU A 37 3.155 -3.564 7.650 1.00 0.48 H new ATOM 0 HA LEU A 37 0.352 -3.587 6.744 1.00 0.52 H new ATOM 0 HB2 LEU A 37 2.161 -1.315 7.543 1.00 0.57 H new ATOM 0 HB3 LEU A 37 0.414 -1.306 7.400 1.00 0.57 H new ATOM 0 HG LEU A 37 2.089 -2.697 9.513 1.00 0.56 H new ATOM 0 HD11 LEU A 37 0.718 -1.207 11.017 1.00 0.81 H new ATOM 0 HD12 LEU A 37 1.607 -0.253 9.805 1.00 0.81 H new ATOM 0 HD13 LEU A 37 -0.131 -0.572 9.587 1.00 0.81 H new ATOM 0 HD21 LEU A 37 -0.009 -3.509 10.525 1.00 0.64 H new ATOM 0 HD22 LEU A 37 -0.919 -2.906 9.120 1.00 0.64 H new ATOM 0 HD23 LEU A 37 0.263 -4.220 8.916 1.00 0.64 H new ATOM 603 N ALA A 38 0.698 -2.550 4.453 1.00 0.57 N ATOM 604 CA ALA A 38 0.834 -1.904 3.165 1.00 0.72 C ATOM 605 C ALA A 38 -0.032 -0.660 3.231 1.00 1.04 C ATOM 606 O ALA A 38 -1.188 -0.720 3.656 1.00 1.31 O ATOM 607 CB ALA A 38 0.374 -2.835 2.043 1.00 0.81 C ATOM 0 H ALA A 38 -0.254 -2.863 4.645 1.00 0.57 H new ATOM 0 HA ALA A 38 1.872 -1.651 2.950 1.00 0.72 H new ATOM 0 HB1 ALA A 38 0.484 -2.330 1.083 1.00 0.81 H new ATOM 0 HB2 ALA A 38 0.982 -3.740 2.049 1.00 0.81 H new ATOM 0 HB3 ALA A 38 -0.672 -3.099 2.196 1.00 0.81 H new ATOM 613 N ASP A 39 0.537 0.461 2.811 1.00 1.19 N ATOM 614 CA ASP A 39 -0.224 1.590 2.329 1.00 1.17 C ATOM 615 C ASP A 39 -0.049 1.618 0.809 1.00 0.91 C ATOM 616 O ASP A 39 0.838 0.952 0.262 1.00 1.39 O ATOM 617 CB ASP A 39 0.199 2.860 3.077 1.00 1.38 C ATOM 618 CG ASP A 39 1.520 3.458 2.613 1.00 2.68 C ATOM 619 OD1 ASP A 39 1.517 3.959 1.470 1.00 3.97 O ATOM 620 OD2 ASP A 39 2.501 3.450 3.394 1.00 3.38 O ATOM 0 H ASP A 39 1.546 0.607 2.798 1.00 1.19 H new ATOM 0 HA ASP A 39 -1.293 1.514 2.529 1.00 1.17 H new ATOM 0 HB2 ASP A 39 -0.584 3.610 2.964 1.00 1.38 H new ATOM 0 HB3 ASP A 39 0.272 2.632 4.140 1.00 1.38 H new ATOM 625 N PHE A 40 -0.943 2.295 0.094 1.00 1.01 N ATOM 626 CA PHE A 40 -0.850 2.401 -1.350 1.00 0.93 C ATOM 627 C PHE A 40 -1.426 3.749 -1.748 1.00 0.86 C ATOM 628 O PHE A 40 -2.532 4.091 -1.331 1.00 1.07 O ATOM 629 CB PHE A 40 -1.525 1.205 -2.045 1.00 1.32 C ATOM 630 CG PHE A 40 -3.039 1.184 -2.029 1.00 1.41 C ATOM 631 CD1 PHE A 40 -3.740 0.909 -0.840 1.00 2.62 C ATOM 632 CD2 PHE A 40 -3.750 1.471 -3.208 1.00 1.90 C ATOM 633 CE1 PHE A 40 -5.143 0.978 -0.822 1.00 2.80 C ATOM 634 CE2 PHE A 40 -5.146 1.593 -3.177 1.00 2.36 C ATOM 635 CZ PHE A 40 -5.844 1.349 -1.985 1.00 2.21 C ATOM 0 H PHE A 40 -1.744 2.780 0.499 1.00 1.01 H new ATOM 0 HA PHE A 40 0.187 2.357 -1.681 1.00 0.93 H new ATOM 0 HB2 PHE A 40 -1.194 1.182 -3.083 1.00 1.32 H new ATOM 0 HB3 PHE A 40 -1.166 0.289 -1.575 1.00 1.32 H new ATOM 0 HD1 PHE A 40 -3.200 0.645 0.057 1.00 2.62 H new ATOM 0 HD2 PHE A 40 -3.219 1.598 -4.140 1.00 1.90 H new ATOM 0 HE1 PHE A 40 -5.684 0.746 0.084 1.00 2.80 H new ATOM 0 HE2 PHE A 40 -5.684 1.875 -4.070 1.00 2.36 H new ATOM 0 HZ PHE A 40 -6.919 1.446 -1.959 1.00 2.21 H new ATOM 645 N ILE A 41 -0.651 4.546 -2.486 1.00 0.71 N ATOM 646 CA ILE A 41 -1.010 5.917 -2.806 1.00 0.75 C ATOM 647 C ILE A 41 -0.452 6.296 -4.172 1.00 0.73 C ATOM 648 O ILE A 41 0.512 5.699 -4.658 1.00 0.75 O ATOM 649 CB ILE A 41 -0.555 6.918 -1.720 1.00 0.86 C ATOM 650 CG1 ILE A 41 0.963 7.184 -1.672 1.00 1.13 C ATOM 651 CG2 ILE A 41 -1.101 6.590 -0.322 1.00 1.16 C ATOM 652 CD1 ILE A 41 1.844 5.950 -1.464 1.00 1.60 C ATOM 0 H ILE A 41 0.244 4.252 -2.877 1.00 0.71 H new ATOM 0 HA ILE A 41 -2.098 5.974 -2.838 1.00 0.75 H new ATOM 0 HB ILE A 41 -1.010 7.854 -2.044 1.00 0.86 H new ATOM 0 HG12 ILE A 41 1.259 7.667 -2.603 1.00 1.13 H new ATOM 0 HG13 ILE A 41 1.165 7.892 -0.868 1.00 1.13 H new ATOM 0 HG21 ILE A 41 -0.743 7.332 0.392 1.00 1.16 H new ATOM 0 HG22 ILE A 41 -2.191 6.604 -0.344 1.00 1.16 H new ATOM 0 HG23 ILE A 41 -0.757 5.601 -0.020 1.00 1.16 H new ATOM 0 HD11 ILE A 41 2.892 6.250 -1.446 1.00 1.60 H new ATOM 0 HD12 ILE A 41 1.586 5.474 -0.518 1.00 1.60 H new ATOM 0 HD13 ILE A 41 1.682 5.246 -2.280 1.00 1.60 H new ATOM 664 N PHE A 42 -1.083 7.304 -4.770 1.00 0.81 N ATOM 665 CA PHE A 42 -0.676 7.991 -5.976 1.00 0.92 C ATOM 666 C PHE A 42 -0.607 9.461 -5.561 1.00 1.13 C ATOM 667 O PHE A 42 -1.617 10.041 -5.167 1.00 1.78 O ATOM 668 CB PHE A 42 -1.715 7.775 -7.097 1.00 1.13 C ATOM 669 CG PHE A 42 -3.173 7.758 -6.649 1.00 1.23 C ATOM 670 CD1 PHE A 42 -3.699 6.640 -5.973 1.00 2.32 C ATOM 671 CD2 PHE A 42 -3.971 8.908 -6.800 1.00 1.68 C ATOM 672 CE1 PHE A 42 -4.973 6.694 -5.386 1.00 2.37 C ATOM 673 CE2 PHE A 42 -5.261 8.951 -6.246 1.00 1.72 C ATOM 674 CZ PHE A 42 -5.758 7.850 -5.523 1.00 1.39 C ATOM 0 H PHE A 42 -1.952 7.682 -4.392 1.00 0.81 H new ATOM 0 HA PHE A 42 0.273 7.629 -6.372 1.00 0.92 H new ATOM 0 HB2 PHE A 42 -1.591 8.563 -7.840 1.00 1.13 H new ATOM 0 HB3 PHE A 42 -1.495 6.830 -7.595 1.00 1.13 H new ATOM 0 HD1 PHE A 42 -3.117 5.733 -5.906 1.00 2.32 H new ATOM 0 HD2 PHE A 42 -3.590 9.760 -7.344 1.00 1.68 H new ATOM 0 HE1 PHE A 42 -5.349 5.848 -4.830 1.00 2.37 H new ATOM 0 HE2 PHE A 42 -5.873 9.831 -6.375 1.00 1.72 H new ATOM 0 HZ PHE A 42 -6.740 7.894 -5.075 1.00 1.39 H new ATOM 684 N THR A 43 0.588 10.040 -5.574 1.00 0.97 N ATOM 685 CA THR A 43 0.866 11.382 -5.093 1.00 1.12 C ATOM 686 C THR A 43 0.763 12.364 -6.260 1.00 1.15 C ATOM 687 O THR A 43 0.162 13.432 -6.133 1.00 2.11 O ATOM 688 CB THR A 43 2.240 11.400 -4.404 1.00 1.26 C ATOM 689 OG1 THR A 43 3.322 11.299 -5.307 1.00 1.76 O ATOM 690 CG2 THR A 43 2.355 10.244 -3.405 1.00 2.29 C ATOM 0 H THR A 43 1.418 9.568 -5.933 1.00 0.97 H new ATOM 0 HA THR A 43 0.134 11.693 -4.348 1.00 1.12 H new ATOM 0 HB THR A 43 2.301 12.366 -3.902 1.00 1.26 H new ATOM 0 HG1 THR A 43 3.009 10.912 -6.151 1.00 1.76 H new ATOM 0 HG21 THR A 43 3.334 10.272 -2.927 1.00 2.29 H new ATOM 0 HG22 THR A 43 1.578 10.340 -2.647 1.00 2.29 H new ATOM 0 HG23 THR A 43 2.235 9.296 -3.930 1.00 2.29 H new ATOM 771 N CYS A 49 -3.414 17.908 0.399 1.00 1.58 N ATOM 772 CA CYS A 49 -4.417 18.611 1.193 1.00 1.50 C ATOM 773 C CYS A 49 -4.951 17.737 2.338 1.00 1.45 C ATOM 774 O CYS A 49 -4.701 18.071 3.496 1.00 1.57 O ATOM 775 CB CYS A 49 -5.519 19.208 0.310 1.00 1.65 C ATOM 776 SG CYS A 49 -6.853 19.802 1.375 1.00 1.78 S ATOM 0 HA CYS A 49 -3.930 19.460 1.674 1.00 1.50 H new ATOM 0 HB2 CYS A 49 -5.121 20.026 -0.290 1.00 1.65 H new ATOM 0 HB3 CYS A 49 -5.895 18.457 -0.385 1.00 1.65 H new ATOM 0 HG CYS A 49 -7.797 20.314 0.643 1.00 1.78 H new ATOM 782 N PRO A 50 -5.664 16.624 2.085 1.00 1.41 N ATOM 783 CA PRO A 50 -6.180 15.784 3.157 1.00 1.52 C ATOM 784 C PRO A 50 -5.042 15.061 3.892 1.00 1.40 C ATOM 785 O PRO A 50 -3.950 14.907 3.338 1.00 1.30 O ATOM 786 CB PRO A 50 -7.135 14.796 2.475 1.00 1.66 C ATOM 787 CG PRO A 50 -6.557 14.675 1.068 1.00 1.56 C ATOM 788 CD PRO A 50 -6.062 16.093 0.791 1.00 1.43 C ATOM 0 HA PRO A 50 -6.694 16.369 3.920 1.00 1.52 H new ATOM 0 HB2 PRO A 50 -7.154 13.834 2.987 1.00 1.66 H new ATOM 0 HB3 PRO A 50 -8.159 15.170 2.460 1.00 1.66 H new ATOM 0 HG2 PRO A 50 -5.747 13.947 1.023 1.00 1.56 H new ATOM 0 HG3 PRO A 50 -7.310 14.360 0.346 1.00 1.56 H new ATOM 0 HD2 PRO A 50 -5.224 16.087 0.094 1.00 1.43 H new ATOM 0 HD3 PRO A 50 -6.846 16.702 0.341 1.00 1.43 H new ATOM 796 N PRO A 51 -5.289 14.593 5.130 1.00 1.47 N ATOM 797 CA PRO A 51 -4.317 13.893 5.964 1.00 1.42 C ATOM 798 C PRO A 51 -4.047 12.480 5.436 1.00 1.40 C ATOM 799 O PRO A 51 -4.440 11.482 6.038 1.00 1.68 O ATOM 800 CB PRO A 51 -4.929 13.900 7.367 1.00 1.61 C ATOM 801 CG PRO A 51 -6.432 13.904 7.097 1.00 1.75 C ATOM 802 CD PRO A 51 -6.539 14.781 5.855 1.00 1.67 C ATOM 0 HA PRO A 51 -3.339 14.374 5.963 1.00 1.42 H new ATOM 0 HB2 PRO A 51 -4.626 13.025 7.942 1.00 1.61 H new ATOM 0 HB3 PRO A 51 -4.620 14.777 7.936 1.00 1.61 H new ATOM 0 HG2 PRO A 51 -6.815 12.899 6.919 1.00 1.75 H new ATOM 0 HG3 PRO A 51 -6.994 14.316 7.935 1.00 1.75 H new ATOM 0 HD2 PRO A 51 -7.394 14.491 5.244 1.00 1.67 H new ATOM 0 HD3 PRO A 51 -6.681 15.827 6.126 1.00 1.67 H new ATOM 810 N MET A 52 -3.353 12.404 4.301 1.00 1.19 N ATOM 811 CA MET A 52 -3.092 11.156 3.604 1.00 1.20 C ATOM 812 C MET A 52 -2.200 10.237 4.432 1.00 1.16 C ATOM 813 O MET A 52 -2.627 9.135 4.774 1.00 1.16 O ATOM 814 CB MET A 52 -2.480 11.395 2.220 1.00 1.17 C ATOM 815 CG MET A 52 -3.447 12.091 1.258 1.00 1.86 C ATOM 816 SD MET A 52 -2.948 11.975 -0.478 1.00 1.81 S ATOM 817 CE MET A 52 -4.227 12.973 -1.261 1.00 2.70 C ATOM 0 H MET A 52 -2.953 13.220 3.838 1.00 1.19 H new ATOM 0 HA MET A 52 -4.054 10.663 3.462 1.00 1.20 H new ATOM 0 HB2 MET A 52 -1.580 12.001 2.325 1.00 1.17 H new ATOM 0 HB3 MET A 52 -2.174 10.440 1.793 1.00 1.17 H new ATOM 0 HG2 MET A 52 -4.439 11.653 1.373 1.00 1.86 H new ATOM 0 HG3 MET A 52 -3.529 13.142 1.535 1.00 1.86 H new ATOM 0 HE1 MET A 52 -4.059 13.000 -2.338 1.00 2.70 H new ATOM 0 HE2 MET A 52 -5.205 12.537 -1.057 1.00 2.70 H new ATOM 0 HE3 MET A 52 -4.192 13.987 -0.863 1.00 2.70 H new ATOM 827 N THR A 53 -0.963 10.658 4.730 1.00 1.24 N ATOM 828 CA THR A 53 0.024 9.789 5.347 1.00 1.16 C ATOM 829 C THR A 53 0.147 10.099 6.842 1.00 1.21 C ATOM 830 O THR A 53 0.981 9.520 7.531 1.00 1.55 O ATOM 831 CB THR A 53 1.304 9.920 4.503 1.00 1.14 C ATOM 832 OG1 THR A 53 0.990 9.594 3.165 1.00 1.33 O ATOM 833 CG2 THR A 53 2.506 9.091 4.939 1.00 1.38 C ATOM 0 H THR A 53 -0.629 11.605 4.548 1.00 1.24 H new ATOM 0 HA THR A 53 -0.253 8.735 5.344 1.00 1.16 H new ATOM 0 HB THR A 53 1.623 10.953 4.638 1.00 1.14 H new ATOM 0 HG1 THR A 53 1.378 10.265 2.565 1.00 1.33 H new ATOM 0 HG21 THR A 53 3.340 9.275 4.262 1.00 1.38 H new ATOM 0 HG22 THR A 53 2.793 9.371 5.952 1.00 1.38 H new ATOM 0 HG23 THR A 53 2.246 8.033 4.915 1.00 1.38 H new ATOM 841 N ALA A 54 -0.732 10.956 7.376 1.00 1.22 N ATOM 842 CA ALA A 54 -0.787 11.283 8.793 1.00 1.27 C ATOM 843 C ALA A 54 -0.970 10.006 9.605 1.00 1.24 C ATOM 844 O ALA A 54 -0.231 9.746 10.549 1.00 1.26 O ATOM 845 CB ALA A 54 -1.952 12.242 9.054 1.00 1.44 C ATOM 0 H ALA A 54 -1.433 11.446 6.821 1.00 1.22 H new ATOM 0 HA ALA A 54 0.144 11.765 9.092 1.00 1.27 H new ATOM 0 HB1 ALA A 54 -1.992 12.486 10.116 1.00 1.44 H new ATOM 0 HB2 ALA A 54 -1.808 13.155 8.477 1.00 1.44 H new ATOM 0 HB3 ALA A 54 -2.887 11.768 8.755 1.00 1.44 H new ATOM 851 N HIS A 55 -1.953 9.200 9.211 1.00 1.22 N ATOM 852 CA HIS A 55 -2.333 7.996 9.924 1.00 1.19 C ATOM 853 C HIS A 55 -1.191 6.991 9.867 1.00 1.08 C ATOM 854 O HIS A 55 -0.745 6.498 10.899 1.00 1.08 O ATOM 855 CB HIS A 55 -3.636 7.465 9.323 1.00 1.23 C ATOM 856 CG HIS A 55 -4.698 8.537 9.297 1.00 1.38 C ATOM 857 ND1 HIS A 55 -5.209 9.151 8.172 1.00 1.54 N ATOM 858 CD2 HIS A 55 -5.140 9.236 10.389 1.00 1.51 C ATOM 859 CE1 HIS A 55 -5.979 10.171 8.590 1.00 1.72 C ATOM 860 NE2 HIS A 55 -5.959 10.269 9.928 1.00 1.69 N ATOM 0 H HIS A 55 -2.512 9.372 8.375 1.00 1.22 H new ATOM 0 HA HIS A 55 -2.517 8.198 10.979 1.00 1.19 H new ATOM 0 HB2 HIS A 55 -3.453 7.105 8.311 1.00 1.23 H new ATOM 0 HB3 HIS A 55 -3.988 6.614 9.905 1.00 1.23 H new ATOM 0 HD2 HIS A 55 -4.899 9.026 11.421 1.00 1.51 H new ATOM 0 HE1 HIS A 55 -6.539 10.824 7.936 1.00 1.72 H new ATOM 0 HE2 HIS A 55 -6.446 10.962 10.497 1.00 1.69 H new ATOM 868 N MET A 56 -0.673 6.733 8.665 1.00 1.02 N ATOM 869 CA MET A 56 0.533 5.941 8.513 1.00 0.99 C ATOM 870 C MET A 56 1.693 6.479 9.365 1.00 0.93 C ATOM 871 O MET A 56 2.420 5.686 9.953 1.00 0.95 O ATOM 872 CB MET A 56 0.899 5.787 7.036 1.00 0.98 C ATOM 873 CG MET A 56 -0.154 5.042 6.201 1.00 1.07 C ATOM 874 SD MET A 56 -1.423 6.051 5.397 1.00 1.66 S ATOM 875 CE MET A 56 -0.508 6.561 3.922 1.00 2.20 C ATOM 0 H MET A 56 -1.075 7.064 7.788 1.00 1.02 H new ATOM 0 HA MET A 56 0.328 4.942 8.898 1.00 0.99 H new ATOM 0 HB2 MET A 56 1.053 6.777 6.606 1.00 0.98 H new ATOM 0 HB3 MET A 56 1.848 5.256 6.962 1.00 0.98 H new ATOM 0 HG2 MET A 56 0.365 4.472 5.430 1.00 1.07 H new ATOM 0 HG3 MET A 56 -0.653 4.321 6.849 1.00 1.07 H new ATOM 0 HE1 MET A 56 -0.848 7.547 3.606 1.00 2.20 H new ATOM 0 HE2 MET A 56 0.557 6.600 4.150 1.00 2.20 H new ATOM 0 HE3 MET A 56 -0.681 5.843 3.120 1.00 2.20 H new ATOM 885 N THR A 57 1.866 7.799 9.487 1.00 0.89 N ATOM 886 CA THR A 57 2.932 8.372 10.297 1.00 0.87 C ATOM 887 C THR A 57 2.676 8.065 11.768 1.00 0.94 C ATOM 888 O THR A 57 3.580 7.608 12.468 1.00 0.96 O ATOM 889 CB THR A 57 3.081 9.878 10.026 1.00 0.85 C ATOM 890 OG1 THR A 57 3.382 10.082 8.661 1.00 1.69 O ATOM 891 CG2 THR A 57 4.216 10.492 10.845 1.00 2.31 C ATOM 0 H THR A 57 1.273 8.491 9.029 1.00 0.89 H new ATOM 0 HA THR A 57 3.883 7.916 10.022 1.00 0.87 H new ATOM 0 HB THR A 57 2.140 10.353 10.304 1.00 0.85 H new ATOM 0 HG1 THR A 57 2.579 9.923 8.122 1.00 1.69 H new ATOM 0 HG21 THR A 57 4.289 11.557 10.625 1.00 2.31 H new ATOM 0 HG22 THR A 57 4.014 10.354 11.907 1.00 2.31 H new ATOM 0 HG23 THR A 57 5.156 10.004 10.588 1.00 2.31 H new ATOM 899 N ASP A 58 1.444 8.277 12.242 1.00 1.03 N ATOM 900 CA ASP A 58 1.130 7.959 13.624 1.00 1.17 C ATOM 901 C ASP A 58 1.373 6.479 13.898 1.00 1.14 C ATOM 902 O ASP A 58 1.945 6.108 14.920 1.00 1.21 O ATOM 903 CB ASP A 58 -0.279 8.356 14.047 1.00 1.40 C ATOM 904 CG ASP A 58 -0.394 8.177 15.559 1.00 2.35 C ATOM 905 OD1 ASP A 58 0.151 9.044 16.281 1.00 2.93 O ATOM 906 OD2 ASP A 58 -0.944 7.140 15.990 1.00 3.45 O ATOM 0 H ASP A 58 0.670 8.658 11.698 1.00 1.03 H new ATOM 0 HA ASP A 58 1.805 8.563 14.231 1.00 1.17 H new ATOM 0 HB2 ASP A 58 -0.481 9.391 13.771 1.00 1.40 H new ATOM 0 HB3 ASP A 58 -1.017 7.739 13.534 1.00 1.40 H new ATOM 911 N LEU A 59 0.976 5.624 12.955 1.00 1.08 N ATOM 912 CA LEU A 59 1.250 4.205 13.078 1.00 1.07 C ATOM 913 C LEU A 59 2.736 3.889 12.919 1.00 0.97 C ATOM 914 O LEU A 59 3.161 2.899 13.490 1.00 0.96 O ATOM 915 CB LEU A 59 0.377 3.358 12.144 1.00 1.08 C ATOM 916 CG LEU A 59 -0.954 2.953 12.800 1.00 1.22 C ATOM 917 CD1 LEU A 59 -1.970 4.072 12.606 1.00 1.44 C ATOM 918 CD2 LEU A 59 -1.495 1.647 12.208 1.00 1.30 C ATOM 0 H LEU A 59 0.470 5.891 12.110 1.00 1.08 H new ATOM 0 HA LEU A 59 0.976 3.926 14.095 1.00 1.07 H new ATOM 0 HB2 LEU A 59 0.174 3.919 11.231 1.00 1.08 H new ATOM 0 HB3 LEU A 59 0.924 2.461 11.852 1.00 1.08 H new ATOM 0 HG LEU A 59 -0.779 2.788 13.863 1.00 1.22 H new ATOM 0 HD11 LEU A 59 -2.915 3.790 13.069 1.00 1.44 H new ATOM 0 HD12 LEU A 59 -1.598 4.986 13.069 1.00 1.44 H new ATOM 0 HD13 LEU A 59 -2.125 4.242 11.541 1.00 1.44 H new ATOM 0 HD21 LEU A 59 -2.436 1.390 12.694 1.00 1.30 H new ATOM 0 HD22 LEU A 59 -1.662 1.774 11.138 1.00 1.30 H new ATOM 0 HD23 LEU A 59 -0.772 0.847 12.370 1.00 1.30 H new ATOM 930 N GLN A 60 3.546 4.678 12.205 1.00 0.94 N ATOM 931 CA GLN A 60 4.978 4.421 12.026 1.00 0.81 C ATOM 932 C GLN A 60 5.678 4.335 13.386 1.00 0.91 C ATOM 933 O GLN A 60 6.524 3.468 13.617 1.00 0.87 O ATOM 934 CB GLN A 60 5.598 5.505 11.134 1.00 0.80 C ATOM 935 CG GLN A 60 6.954 5.104 10.542 1.00 0.81 C ATOM 936 CD GLN A 60 8.156 5.559 11.359 1.00 1.79 C ATOM 937 OE1 GLN A 60 8.677 6.647 11.135 1.00 3.14 O ATOM 938 NE2 GLN A 60 8.625 4.727 12.285 1.00 2.62 N ATOM 0 H GLN A 60 3.222 5.521 11.731 1.00 0.94 H new ATOM 0 HA GLN A 60 5.113 3.461 11.528 1.00 0.81 H new ATOM 0 HB2 GLN A 60 4.909 5.735 10.321 1.00 0.80 H new ATOM 0 HB3 GLN A 60 5.720 6.418 11.716 1.00 0.80 H new ATOM 0 HG2 GLN A 60 6.987 4.019 10.443 1.00 0.81 H new ATOM 0 HG3 GLN A 60 7.035 5.518 9.537 1.00 0.81 H new ATOM 0 HE21 GLN A 60 8.166 3.830 12.444 1.00 2.62 H new ATOM 0 HE22 GLN A 60 9.443 4.986 12.836 1.00 2.62 H new ATOM 947 N LYS A 61 5.300 5.246 14.281 1.00 1.10 N ATOM 948 CA LYS A 61 5.706 5.262 15.678 1.00 1.20 C ATOM 949 C LYS A 61 5.418 3.903 16.325 1.00 1.18 C ATOM 950 O LYS A 61 6.328 3.259 16.840 1.00 1.22 O ATOM 951 CB LYS A 61 4.939 6.413 16.330 1.00 1.27 C ATOM 952 CG LYS A 61 5.023 6.580 17.847 1.00 1.20 C ATOM 953 CD LYS A 61 4.262 7.858 18.268 1.00 1.24 C ATOM 954 CE LYS A 61 2.863 7.962 17.615 1.00 1.93 C ATOM 955 NZ LYS A 61 2.074 9.126 18.060 1.00 2.35 N ATOM 0 H LYS A 61 4.680 6.020 14.041 1.00 1.10 H new ATOM 0 HA LYS A 61 6.777 5.422 15.801 1.00 1.20 H new ATOM 0 HB2 LYS A 61 5.285 7.341 15.875 1.00 1.27 H new ATOM 0 HB3 LYS A 61 3.887 6.301 16.067 1.00 1.27 H new ATOM 0 HG2 LYS A 61 4.595 5.709 18.344 1.00 1.20 H new ATOM 0 HG3 LYS A 61 6.065 6.645 18.159 1.00 1.20 H new ATOM 0 HD2 LYS A 61 4.154 7.871 19.353 1.00 1.24 H new ATOM 0 HD3 LYS A 61 4.852 8.733 17.996 1.00 1.24 H new ATOM 0 HE2 LYS A 61 2.982 8.010 16.533 1.00 1.93 H new ATOM 0 HE3 LYS A 61 2.303 7.053 17.834 1.00 1.93 H new ATOM 0 HZ1 LYS A 61 1.382 9.377 17.326 1.00 2.35 H new ATOM 0 HZ2 LYS A 61 1.574 8.890 18.941 1.00 2.35 H new ATOM 0 HZ3 LYS A 61 2.709 9.932 18.227 1.00 2.35 H new ATOM 969 N LYS A 62 4.153 3.461 16.284 1.00 1.16 N ATOM 970 CA LYS A 62 3.743 2.136 16.737 1.00 1.13 C ATOM 971 C LYS A 62 4.622 1.061 16.102 1.00 1.09 C ATOM 972 O LYS A 62 5.159 0.203 16.794 1.00 1.22 O ATOM 973 CB LYS A 62 2.268 1.902 16.356 1.00 1.16 C ATOM 974 CG LYS A 62 1.523 1.111 17.436 1.00 1.73 C ATOM 975 CD LYS A 62 1.016 2.056 18.534 1.00 2.58 C ATOM 976 CE LYS A 62 -0.286 2.756 18.105 1.00 3.29 C ATOM 977 NZ LYS A 62 -0.776 3.709 19.121 1.00 5.06 N ATOM 0 H LYS A 62 3.381 4.025 15.930 1.00 1.16 H new ATOM 0 HA LYS A 62 3.855 2.078 17.820 1.00 1.13 H new ATOM 0 HB2 LYS A 62 1.775 2.862 16.203 1.00 1.16 H new ATOM 0 HB3 LYS A 62 2.217 1.363 15.410 1.00 1.16 H new ATOM 0 HG2 LYS A 62 0.684 0.576 16.991 1.00 1.73 H new ATOM 0 HG3 LYS A 62 2.185 0.361 17.869 1.00 1.73 H new ATOM 0 HD2 LYS A 62 0.845 1.493 19.452 1.00 2.58 H new ATOM 0 HD3 LYS A 62 1.778 2.803 18.756 1.00 2.58 H new ATOM 0 HE2 LYS A 62 -0.119 3.284 17.166 1.00 3.29 H new ATOM 0 HE3 LYS A 62 -1.053 2.005 17.916 1.00 3.29 H new ATOM 0 HZ1 LYS A 62 -1.654 4.154 18.785 1.00 5.06 H new ATOM 0 HZ2 LYS A 62 -0.962 3.203 20.010 1.00 5.06 H new ATOM 0 HZ3 LYS A 62 -0.057 4.442 19.284 1.00 5.06 H new ATOM 991 N LEU A 63 4.765 1.135 14.778 1.00 0.92 N ATOM 992 CA LEU A 63 5.458 0.191 13.930 1.00 0.77 C ATOM 993 C LEU A 63 6.789 -0.163 14.561 1.00 0.88 C ATOM 994 O LEU A 63 7.094 -1.336 14.675 1.00 0.82 O ATOM 995 CB LEU A 63 5.616 0.752 12.518 1.00 0.67 C ATOM 996 CG LEU A 63 5.546 -0.317 11.427 1.00 0.93 C ATOM 997 CD1 LEU A 63 6.520 -1.470 11.656 1.00 1.21 C ATOM 998 CD2 LEU A 63 4.126 -0.842 11.188 1.00 1.17 C ATOM 0 H LEU A 63 4.371 1.910 14.244 1.00 0.92 H new ATOM 0 HA LEU A 63 4.873 -0.724 13.838 1.00 0.77 H new ATOM 0 HB2 LEU A 63 4.837 1.493 12.340 1.00 0.67 H new ATOM 0 HB3 LEU A 63 6.572 1.271 12.446 1.00 0.67 H new ATOM 0 HG LEU A 63 5.858 0.196 10.517 1.00 0.93 H new ATOM 0 HD11 LEU A 63 6.422 -2.195 10.848 1.00 1.21 H new ATOM 0 HD12 LEU A 63 7.540 -1.086 11.677 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.295 -1.953 12.607 1.00 1.21 H new ATOM 0 HD21 LEU A 63 4.145 -1.597 10.402 1.00 1.17 H new ATOM 0 HD22 LEU A 63 3.742 -1.284 12.107 1.00 1.17 H new ATOM 0 HD23 LEU A 63 3.480 -0.018 10.884 1.00 1.17 H new ATOM 1010 N LYS A 64 7.553 0.823 15.038 1.00 1.08 N ATOM 1011 CA LYS A 64 8.843 0.586 15.677 1.00 1.28 C ATOM 1012 C LYS A 64 8.812 -0.548 16.724 1.00 1.42 C ATOM 1013 O LYS A 64 9.797 -1.261 16.888 1.00 1.55 O ATOM 1014 CB LYS A 64 9.352 1.900 16.290 1.00 1.39 C ATOM 1015 CG LYS A 64 10.878 1.946 16.483 1.00 2.06 C ATOM 1016 CD LYS A 64 11.635 2.050 15.145 1.00 2.17 C ATOM 1017 CE LYS A 64 12.317 0.732 14.742 1.00 3.12 C ATOM 1018 NZ LYS A 64 12.779 0.760 13.337 1.00 3.27 N ATOM 0 H LYS A 64 7.291 1.808 14.990 1.00 1.08 H new ATOM 0 HA LYS A 64 9.534 0.245 14.906 1.00 1.28 H new ATOM 0 HB2 LYS A 64 9.051 2.729 15.650 1.00 1.39 H new ATOM 0 HB3 LYS A 64 8.868 2.051 17.255 1.00 1.39 H new ATOM 0 HG2 LYS A 64 11.137 2.798 17.111 1.00 2.06 H new ATOM 0 HG3 LYS A 64 11.202 1.050 17.012 1.00 2.06 H new ATOM 0 HD2 LYS A 64 10.939 2.348 14.361 1.00 2.17 H new ATOM 0 HD3 LYS A 64 12.387 2.835 15.219 1.00 2.17 H new ATOM 0 HE2 LYS A 64 13.166 0.546 15.400 1.00 3.12 H new ATOM 0 HE3 LYS A 64 11.620 -0.095 14.879 1.00 3.12 H new ATOM 0 HZ1 LYS A 64 12.491 -0.118 12.859 1.00 3.27 H new ATOM 0 HZ2 LYS A 64 12.356 1.575 12.849 1.00 3.27 H new ATOM 0 HZ3 LYS A 64 13.815 0.842 13.314 1.00 3.27 H new ATOM 1032 N ALA A 65 7.706 -0.680 17.461 1.00 1.45 N ATOM 1033 CA ALA A 65 7.426 -1.750 18.416 1.00 1.57 C ATOM 1034 C ALA A 65 6.977 -3.053 17.762 1.00 1.36 C ATOM 1035 O ALA A 65 7.325 -4.135 18.229 1.00 1.49 O ATOM 1036 CB ALA A 65 6.394 -1.263 19.441 1.00 1.76 C ATOM 0 H ALA A 65 6.942 -0.006 17.403 1.00 1.45 H new ATOM 0 HA ALA A 65 8.365 -1.987 18.917 1.00 1.57 H new ATOM 0 HB1 ALA A 65 6.185 -2.061 20.154 1.00 1.76 H new ATOM 0 HB2 ALA A 65 6.789 -0.397 19.972 1.00 1.76 H new ATOM 0 HB3 ALA A 65 5.474 -0.985 18.927 1.00 1.76 H new ATOM 1042 N GLU A 66 6.202 -2.950 16.683 1.00 1.08 N ATOM 1043 CA GLU A 66 5.761 -4.082 15.903 1.00 0.97 C ATOM 1044 C GLU A 66 6.959 -4.587 15.095 1.00 0.89 C ATOM 1045 O GLU A 66 6.926 -5.702 14.591 1.00 0.86 O ATOM 1046 CB GLU A 66 4.576 -3.705 14.989 1.00 0.91 C ATOM 1047 CG GLU A 66 3.562 -2.705 15.574 1.00 1.09 C ATOM 1048 CD GLU A 66 2.875 -3.156 16.858 1.00 1.21 C ATOM 1049 OE1 GLU A 66 2.761 -4.384 17.051 1.00 2.06 O ATOM 1050 OE2 GLU A 66 2.437 -2.248 17.601 1.00 1.94 O ATOM 0 H GLU A 66 5.862 -2.056 16.328 1.00 1.08 H new ATOM 0 HA GLU A 66 5.398 -4.873 16.560 1.00 0.97 H new ATOM 0 HB2 GLU A 66 4.975 -3.288 14.064 1.00 0.91 H new ATOM 0 HB3 GLU A 66 4.043 -4.618 14.723 1.00 0.91 H new ATOM 0 HG2 GLU A 66 4.075 -1.762 15.766 1.00 1.09 H new ATOM 0 HG3 GLU A 66 2.798 -2.505 14.823 1.00 1.09 H new ATOM 1057 N ASN A 67 8.023 -3.777 14.961 1.00 0.93 N ATOM 1058 CA ASN A 67 9.142 -3.949 14.059 1.00 0.94 C ATOM 1059 C ASN A 67 10.124 -5.019 14.527 1.00 1.31 C ATOM 1060 O ASN A 67 11.335 -4.819 14.504 1.00 2.37 O ATOM 1061 CB ASN A 67 9.856 -2.605 13.863 1.00 1.05 C ATOM 1062 CG ASN A 67 10.905 -2.586 12.762 1.00 1.87 C ATOM 1063 OD1 ASN A 67 11.788 -1.722 12.775 1.00 2.63 O ATOM 1064 ND2 ASN A 67 10.780 -3.445 11.757 1.00 2.52 N ATOM 0 H ASN A 67 8.117 -2.932 15.524 1.00 0.93 H new ATOM 0 HA ASN A 67 8.743 -4.298 13.106 1.00 0.94 H new ATOM 0 HB2 ASN A 67 9.108 -1.843 13.644 1.00 1.05 H new ATOM 0 HB3 ASN A 67 10.332 -2.324 14.802 1.00 1.05 H new ATOM 0 HD21 ASN A 67 11.424 -3.403 10.967 1.00 2.52 H new ATOM 0 HD22 ASN A 67 10.040 -4.147 11.775 1.00 2.52 H new ATOM 1071 N ILE A 68 9.588 -6.163 14.939 1.00 0.92 N ATOM 1072 CA ILE A 68 10.294 -7.443 14.937 1.00 0.99 C ATOM 1073 C ILE A 68 11.023 -7.589 13.582 1.00 0.92 C ATOM 1074 O ILE A 68 12.236 -7.394 13.523 1.00 1.07 O ATOM 1075 CB ILE A 68 9.331 -8.590 15.303 1.00 1.06 C ATOM 1076 CG1 ILE A 68 8.965 -8.581 16.802 1.00 1.14 C ATOM 1077 CG2 ILE A 68 9.953 -9.964 15.008 1.00 1.12 C ATOM 1078 CD1 ILE A 68 8.123 -7.391 17.278 1.00 1.18 C ATOM 0 H ILE A 68 8.633 -6.230 15.291 1.00 0.92 H new ATOM 0 HA ILE A 68 11.063 -7.488 15.708 1.00 0.99 H new ATOM 0 HB ILE A 68 8.441 -8.428 14.694 1.00 1.06 H new ATOM 0 HG12 ILE A 68 8.423 -9.499 17.029 1.00 1.14 H new ATOM 0 HG13 ILE A 68 9.888 -8.604 17.382 1.00 1.14 H new ATOM 0 HG21 ILE A 68 9.246 -10.749 15.278 1.00 1.12 H new ATOM 0 HG22 ILE A 68 10.188 -10.037 13.946 1.00 1.12 H new ATOM 0 HG23 ILE A 68 10.867 -10.082 15.590 1.00 1.12 H new ATOM 0 HD11 ILE A 68 7.926 -7.489 18.346 1.00 1.18 H new ATOM 0 HD12 ILE A 68 8.666 -6.464 17.092 1.00 1.18 H new ATOM 0 HD13 ILE A 68 7.178 -7.373 16.735 1.00 1.18 H new ATOM 1090 N ASP A 69 10.287 -7.833 12.492 1.00 0.79 N ATOM 1091 CA ASP A 69 10.617 -7.384 11.135 1.00 0.78 C ATOM 1092 C ASP A 69 9.340 -7.154 10.324 1.00 0.71 C ATOM 1093 O ASP A 69 9.292 -7.329 9.106 1.00 1.06 O ATOM 1094 CB ASP A 69 11.585 -8.320 10.421 1.00 0.97 C ATOM 1095 CG ASP A 69 12.075 -7.785 9.064 1.00 1.07 C ATOM 1096 OD1 ASP A 69 12.061 -6.547 8.857 1.00 1.76 O ATOM 1097 OD2 ASP A 69 12.469 -8.624 8.224 1.00 1.99 O ATOM 0 H ASP A 69 9.418 -8.365 12.531 1.00 0.79 H new ATOM 0 HA ASP A 69 11.141 -6.433 11.226 1.00 0.78 H new ATOM 0 HB2 ASP A 69 12.447 -8.497 11.064 1.00 0.97 H new ATOM 0 HB3 ASP A 69 11.099 -9.283 10.268 1.00 0.97 H new ATOM 1102 N VAL A 70 8.290 -6.685 10.997 1.00 0.53 N ATOM 1103 CA VAL A 70 7.147 -6.164 10.271 1.00 0.48 C ATOM 1104 C VAL A 70 7.589 -4.791 9.769 1.00 0.46 C ATOM 1105 O VAL A 70 8.337 -4.080 10.448 1.00 0.53 O ATOM 1106 CB VAL A 70 5.830 -6.140 11.085 1.00 0.58 C ATOM 1107 CG1 VAL A 70 5.682 -7.270 12.115 1.00 0.76 C ATOM 1108 CG2 VAL A 70 5.549 -4.793 11.751 1.00 0.51 C ATOM 0 H VAL A 70 8.212 -6.657 12.014 1.00 0.53 H new ATOM 0 HA VAL A 70 6.878 -6.822 9.445 1.00 0.48 H new ATOM 0 HB VAL A 70 5.076 -6.312 10.317 1.00 0.58 H new ATOM 0 HG11 VAL A 70 4.729 -7.167 12.633 1.00 0.76 H new ATOM 0 HG12 VAL A 70 5.716 -8.233 11.606 1.00 0.76 H new ATOM 0 HG13 VAL A 70 6.496 -7.213 12.838 1.00 0.76 H new ATOM 0 HG21 VAL A 70 4.611 -4.849 12.304 1.00 0.51 H new ATOM 0 HG22 VAL A 70 6.361 -4.550 12.437 1.00 0.51 H new ATOM 0 HG23 VAL A 70 5.475 -4.018 10.988 1.00 0.51 H new ATOM 1118 N ARG A 71 7.153 -4.438 8.564 1.00 0.49 N ATOM 1119 CA ARG A 71 7.436 -3.184 7.893 1.00 0.44 C ATOM 1120 C ARG A 71 6.111 -2.611 7.442 1.00 0.66 C ATOM 1121 O ARG A 71 5.134 -3.349 7.302 1.00 1.09 O ATOM 1122 CB ARG A 71 8.394 -3.427 6.723 1.00 0.59 C ATOM 1123 CG ARG A 71 9.831 -3.342 7.241 1.00 0.67 C ATOM 1124 CD ARG A 71 10.854 -3.599 6.141 1.00 0.74 C ATOM 1125 NE ARG A 71 11.123 -5.032 5.963 1.00 0.84 N ATOM 1126 CZ ARG A 71 11.742 -5.534 4.886 1.00 0.90 C ATOM 1127 NH1 ARG A 71 12.062 -4.743 3.847 1.00 1.07 N ATOM 1128 NH2 ARG A 71 12.045 -6.836 4.843 1.00 1.24 N ATOM 0 H ARG A 71 6.563 -5.054 8.005 1.00 0.49 H new ATOM 0 HA ARG A 71 7.928 -2.472 8.555 1.00 0.44 H new ATOM 0 HB2 ARG A 71 8.209 -4.406 6.280 1.00 0.59 H new ATOM 0 HB3 ARG A 71 8.230 -2.687 5.940 1.00 0.59 H new ATOM 0 HG2 ARG A 71 10.003 -2.355 7.672 1.00 0.67 H new ATOM 0 HG3 ARG A 71 9.971 -4.068 8.042 1.00 0.67 H new ATOM 0 HD2 ARG A 71 10.491 -3.179 5.203 1.00 0.74 H new ATOM 0 HD3 ARG A 71 11.783 -3.083 6.383 1.00 0.74 H new ATOM 0 HE ARG A 71 10.824 -5.676 6.695 1.00 0.84 H new ATOM 0 HH11 ARG A 71 11.834 -3.749 3.873 1.00 1.07 H new ATOM 0 HH12 ARG A 71 12.533 -5.137 3.033 1.00 1.07 H new ATOM 0 HH21 ARG A 71 11.805 -7.442 5.628 1.00 1.24 H new ATOM 0 HH22 ARG A 71 12.516 -7.223 4.025 1.00 1.24 H new ATOM 1142 N ILE A 72 6.075 -1.295 7.239 1.00 0.45 N ATOM 1143 CA ILE A 72 4.976 -0.664 6.565 1.00 0.51 C ATOM 1144 C ILE A 72 5.435 -0.406 5.128 1.00 0.52 C ATOM 1145 O ILE A 72 6.152 0.551 4.871 1.00 0.60 O ATOM 1146 CB ILE A 72 4.550 0.586 7.354 1.00 0.58 C ATOM 1147 CG1 ILE A 72 3.440 1.332 6.600 1.00 0.69 C ATOM 1148 CG2 ILE A 72 5.694 1.524 7.780 1.00 0.63 C ATOM 1149 CD1 ILE A 72 2.906 2.456 7.473 1.00 1.73 C ATOM 0 H ILE A 72 6.808 -0.653 7.540 1.00 0.45 H new ATOM 0 HA ILE A 72 4.078 -1.280 6.515 1.00 0.51 H new ATOM 0 HB ILE A 72 4.162 0.217 8.304 1.00 0.58 H new ATOM 0 HG12 ILE A 72 3.828 1.736 5.665 1.00 0.69 H new ATOM 0 HG13 ILE A 72 2.635 0.644 6.341 1.00 0.69 H new ATOM 0 HG21 ILE A 72 5.284 2.372 8.329 1.00 0.63 H new ATOM 0 HG22 ILE A 72 6.391 0.981 8.418 1.00 0.63 H new ATOM 0 HG23 ILE A 72 6.218 1.884 6.895 1.00 0.63 H new ATOM 0 HD11 ILE A 72 2.118 2.987 6.940 1.00 1.73 H new ATOM 0 HD12 ILE A 72 2.503 2.040 8.396 1.00 1.73 H new ATOM 0 HD13 ILE A 72 3.714 3.148 7.710 1.00 1.73 H new ATOM 1161 N ILE A 73 5.089 -1.266 4.173 1.00 0.52 N ATOM 1162 CA ILE A 73 5.423 -1.009 2.783 1.00 0.57 C ATOM 1163 C ILE A 73 4.456 0.039 2.261 1.00 0.69 C ATOM 1164 O ILE A 73 3.345 0.187 2.767 1.00 0.89 O ATOM 1165 CB ILE A 73 5.371 -2.336 1.997 1.00 0.54 C ATOM 1166 CG1 ILE A 73 6.769 -2.942 1.824 1.00 0.53 C ATOM 1167 CG2 ILE A 73 4.691 -2.245 0.622 1.00 0.62 C ATOM 1168 CD1 ILE A 73 7.424 -3.268 3.168 1.00 0.58 C ATOM 0 H ILE A 73 4.583 -2.136 4.338 1.00 0.52 H new ATOM 0 HA ILE A 73 6.434 -0.620 2.666 1.00 0.57 H new ATOM 0 HB ILE A 73 4.749 -2.984 2.614 1.00 0.54 H new ATOM 0 HG12 ILE A 73 6.699 -3.850 1.225 1.00 0.53 H new ATOM 0 HG13 ILE A 73 7.400 -2.245 1.273 1.00 0.53 H new ATOM 0 HG21 ILE A 73 4.702 -3.225 0.145 1.00 0.62 H new ATOM 0 HG22 ILE A 73 3.660 -1.914 0.747 1.00 0.62 H new ATOM 0 HG23 ILE A 73 5.228 -1.531 -0.003 1.00 0.62 H new ATOM 0 HD11 ILE A 73 8.412 -3.695 2.997 1.00 0.58 H new ATOM 0 HD12 ILE A 73 7.520 -2.356 3.757 1.00 0.58 H new ATOM 0 HD13 ILE A 73 6.807 -3.986 3.709 1.00 0.58 H new ATOM 1180 N SER A 74 4.895 0.769 1.241 1.00 0.65 N ATOM 1181 CA SER A 74 4.069 1.733 0.558 1.00 0.70 C ATOM 1182 C SER A 74 4.156 1.433 -0.932 1.00 0.52 C ATOM 1183 O SER A 74 5.247 1.351 -1.487 1.00 0.76 O ATOM 1184 CB SER A 74 4.569 3.127 0.922 1.00 0.84 C ATOM 1185 OG SER A 74 3.830 4.129 0.259 1.00 1.84 O ATOM 0 H SER A 74 5.842 0.701 0.869 1.00 0.65 H new ATOM 0 HA SER A 74 3.020 1.680 0.850 1.00 0.70 H new ATOM 0 HB2 SER A 74 4.495 3.272 2.000 1.00 0.84 H new ATOM 0 HB3 SER A 74 5.623 3.217 0.660 1.00 0.84 H new ATOM 0 HG SER A 74 3.005 4.310 0.756 1.00 1.84 H new ATOM 1191 N PHE A 75 3.020 1.173 -1.567 1.00 1.02 N ATOM 1192 CA PHE A 75 2.932 0.734 -2.944 1.00 1.24 C ATOM 1193 C PHE A 75 2.706 1.970 -3.819 1.00 0.92 C ATOM 1194 O PHE A 75 1.697 2.660 -3.654 1.00 0.84 O ATOM 1195 CB PHE A 75 1.751 -0.241 -2.975 1.00 2.27 C ATOM 1196 CG PHE A 75 1.517 -1.037 -4.239 1.00 0.79 C ATOM 1197 CD1 PHE A 75 1.017 -0.401 -5.391 1.00 2.12 C ATOM 1198 CD2 PHE A 75 1.502 -2.444 -4.160 1.00 1.85 C ATOM 1199 CE1 PHE A 75 0.569 -1.167 -6.479 1.00 2.65 C ATOM 1200 CE2 PHE A 75 0.959 -3.201 -5.208 1.00 2.18 C ATOM 1201 CZ PHE A 75 0.551 -2.568 -6.390 1.00 2.11 C ATOM 0 H PHE A 75 2.109 1.266 -1.119 1.00 1.02 H new ATOM 0 HA PHE A 75 3.828 0.239 -3.319 1.00 1.24 H new ATOM 0 HB2 PHE A 75 1.881 -0.948 -2.155 1.00 2.27 H new ATOM 0 HB3 PHE A 75 0.844 0.327 -2.766 1.00 2.27 H new ATOM 0 HD1 PHE A 75 0.978 0.677 -5.438 1.00 2.12 H new ATOM 0 HD2 PHE A 75 1.909 -2.940 -3.291 1.00 1.85 H new ATOM 0 HE1 PHE A 75 0.238 -0.679 -7.384 1.00 2.65 H new ATOM 0 HE2 PHE A 75 0.855 -4.271 -5.104 1.00 2.18 H new ATOM 0 HZ PHE A 75 0.223 -3.158 -7.233 1.00 2.11 H new ATOM 1211 N SER A 76 3.608 2.239 -4.767 1.00 0.85 N ATOM 1212 CA SER A 76 3.473 3.378 -5.668 1.00 0.64 C ATOM 1213 C SER A 76 2.404 3.061 -6.708 1.00 0.53 C ATOM 1214 O SER A 76 2.604 2.226 -7.589 1.00 0.51 O ATOM 1215 CB SER A 76 4.815 3.635 -6.360 1.00 0.80 C ATOM 1216 OG SER A 76 5.825 3.869 -5.401 1.00 2.52 O ATOM 0 H SER A 76 4.444 1.677 -4.928 1.00 0.85 H new ATOM 0 HA SER A 76 3.183 4.268 -5.109 1.00 0.64 H new ATOM 0 HB2 SER A 76 5.083 2.778 -6.978 1.00 0.80 H new ATOM 0 HB3 SER A 76 4.730 4.494 -7.025 1.00 0.80 H new ATOM 0 HG SER A 76 6.129 3.014 -5.030 1.00 2.52 H new ATOM 1222 N VAL A 77 1.254 3.725 -6.613 1.00 0.83 N ATOM 1223 CA VAL A 77 0.150 3.485 -7.520 1.00 0.89 C ATOM 1224 C VAL A 77 0.450 4.192 -8.842 1.00 0.94 C ATOM 1225 O VAL A 77 0.208 5.390 -8.981 1.00 1.09 O ATOM 1226 CB VAL A 77 -1.159 3.947 -6.869 1.00 0.93 C ATOM 1227 CG1 VAL A 77 -2.352 3.818 -7.830 1.00 1.04 C ATOM 1228 CG2 VAL A 77 -1.453 3.115 -5.617 1.00 0.98 C ATOM 0 H VAL A 77 1.069 4.438 -5.908 1.00 0.83 H new ATOM 0 HA VAL A 77 0.031 2.423 -7.733 1.00 0.89 H new ATOM 0 HB VAL A 77 -1.030 4.997 -6.606 1.00 0.93 H new ATOM 0 HG11 VAL A 77 -3.260 4.156 -7.330 1.00 1.04 H new ATOM 0 HG12 VAL A 77 -2.175 4.431 -8.714 1.00 1.04 H new ATOM 0 HG13 VAL A 77 -2.468 2.776 -8.128 1.00 1.04 H new ATOM 0 HG21 VAL A 77 -2.385 3.454 -5.165 1.00 0.98 H new ATOM 0 HG22 VAL A 77 -1.544 2.064 -5.892 1.00 0.98 H new ATOM 0 HG23 VAL A 77 -0.639 3.234 -4.902 1.00 0.98 H new ATOM 1238 N ASP A 78 0.976 3.417 -9.796 1.00 1.09 N ATOM 1239 CA ASP A 78 1.252 3.803 -11.177 1.00 1.21 C ATOM 1240 C ASP A 78 2.525 4.656 -11.247 1.00 1.06 C ATOM 1241 O ASP A 78 2.473 5.872 -11.463 1.00 1.18 O ATOM 1242 CB ASP A 78 0.034 4.489 -11.806 1.00 1.48 C ATOM 1243 CG ASP A 78 0.059 4.399 -13.315 1.00 1.96 C ATOM 1244 OD1 ASP A 78 1.154 4.495 -13.911 1.00 2.07 O ATOM 1245 OD2 ASP A 78 -1.038 4.220 -13.892 1.00 3.11 O ATOM 0 H ASP A 78 1.234 2.448 -9.611 1.00 1.09 H new ATOM 0 HA ASP A 78 1.438 2.908 -11.770 1.00 1.21 H new ATOM 0 HB2 ASP A 78 -0.879 4.027 -11.429 1.00 1.48 H new ATOM 0 HB3 ASP A 78 0.010 5.536 -11.504 1.00 1.48 H new ATOM 1250 N PRO A 79 3.694 4.037 -11.029 1.00 0.90 N ATOM 1251 CA PRO A 79 4.934 4.762 -10.829 1.00 0.90 C ATOM 1252 C PRO A 79 5.467 5.357 -12.132 1.00 0.84 C ATOM 1253 O PRO A 79 6.351 6.213 -12.104 1.00 1.07 O ATOM 1254 CB PRO A 79 5.912 3.743 -10.243 1.00 0.90 C ATOM 1255 CG PRO A 79 5.442 2.446 -10.896 1.00 0.81 C ATOM 1256 CD PRO A 79 3.922 2.605 -10.921 1.00 0.87 C ATOM 0 HA PRO A 79 4.788 5.613 -10.164 1.00 0.90 H new ATOM 0 HB2 PRO A 79 6.946 3.977 -10.496 1.00 0.90 H new ATOM 0 HB3 PRO A 79 5.852 3.698 -9.156 1.00 0.90 H new ATOM 0 HG2 PRO A 79 5.852 2.327 -11.899 1.00 0.81 H new ATOM 0 HG3 PRO A 79 5.747 1.571 -10.322 1.00 0.81 H new ATOM 0 HD2 PRO A 79 3.483 2.071 -11.764 1.00 0.87 H new ATOM 0 HD3 PRO A 79 3.468 2.200 -10.016 1.00 0.87 H new ATOM 1264 N GLU A 80 4.956 4.914 -13.286 1.00 0.72 N ATOM 1265 CA GLU A 80 5.338 5.462 -14.565 1.00 0.77 C ATOM 1266 C GLU A 80 5.000 6.957 -14.573 1.00 0.98 C ATOM 1267 O GLU A 80 5.874 7.800 -14.811 1.00 1.26 O ATOM 1268 CB GLU A 80 4.625 4.655 -15.654 1.00 0.90 C ATOM 1269 CG GLU A 80 5.114 5.084 -17.029 1.00 1.47 C ATOM 1270 CD GLU A 80 4.559 4.184 -18.122 1.00 1.78 C ATOM 1271 OE1 GLU A 80 5.171 3.114 -18.335 1.00 2.52 O ATOM 1272 OE2 GLU A 80 3.541 4.586 -18.725 1.00 2.67 O ATOM 0 H GLU A 80 4.267 4.165 -13.345 1.00 0.72 H new ATOM 0 HA GLU A 80 6.408 5.385 -14.756 1.00 0.77 H new ATOM 0 HB2 GLU A 80 4.811 3.591 -15.509 1.00 0.90 H new ATOM 0 HB3 GLU A 80 3.548 4.803 -15.580 1.00 0.90 H new ATOM 0 HG2 GLU A 80 4.815 6.115 -17.218 1.00 1.47 H new ATOM 0 HG3 GLU A 80 6.203 5.059 -17.053 1.00 1.47 H new ATOM 1279 N ASN A 81 3.752 7.300 -14.225 1.00 1.16 N ATOM 1280 CA ASN A 81 3.445 8.691 -13.933 1.00 1.53 C ATOM 1281 C ASN A 81 4.079 9.085 -12.595 1.00 1.51 C ATOM 1282 O ASN A 81 4.935 9.975 -12.586 1.00 1.67 O ATOM 1283 CB ASN A 81 1.972 9.088 -14.163 1.00 1.85 C ATOM 1284 CG ASN A 81 0.891 8.397 -13.331 1.00 3.02 C ATOM 1285 OD1 ASN A 81 0.867 8.620 -12.021 1.00 4.06 O flip ATOM 1286 ND2 ASN A 81 0.017 7.729 -13.887 1.00 4.11 N flip ATOM 0 H ASN A 81 2.968 6.652 -14.143 1.00 1.16 H new ATOM 0 HA ASN A 81 3.918 9.325 -14.683 1.00 1.53 H new ATOM 0 HB2 ASN A 81 1.887 10.161 -13.991 1.00 1.85 H new ATOM 0 HB3 ASN A 81 1.742 8.915 -15.214 1.00 1.85 H new ATOM 0 HD21 ASN A 81 0.058 7.572 -14.894 1.00 4.11 H new ATOM 0 HD22 ASN A 81 -0.747 7.333 -13.340 1.00 4.11 H new ATOM 1293 N ASP A 82 3.761 8.403 -11.488 1.00 1.63 N ATOM 1294 CA ASP A 82 4.290 8.778 -10.177 1.00 1.61 C ATOM 1295 C ASP A 82 5.722 8.275 -9.964 1.00 1.60 C ATOM 1296 O ASP A 82 6.000 7.368 -9.181 1.00 2.90 O ATOM 1297 CB ASP A 82 3.366 8.329 -9.046 1.00 1.64 C ATOM 1298 CG ASP A 82 3.594 9.212 -7.829 1.00 2.03 C ATOM 1299 OD1 ASP A 82 4.749 9.621 -7.601 1.00 2.71 O ATOM 1300 OD2 ASP A 82 2.590 9.536 -7.160 1.00 2.96 O ATOM 0 H ASP A 82 3.142 7.592 -11.477 1.00 1.63 H new ATOM 0 HA ASP A 82 4.330 9.867 -10.156 1.00 1.61 H new ATOM 0 HB2 ASP A 82 2.326 8.391 -9.365 1.00 1.64 H new ATOM 0 HB3 ASP A 82 3.560 7.286 -8.795 1.00 1.64 H new ATOM 1305 N LYS A 83 6.654 8.882 -10.690 1.00 1.02 N ATOM 1306 CA LYS A 83 8.067 8.579 -10.543 1.00 1.07 C ATOM 1307 C LYS A 83 8.500 8.801 -9.083 1.00 1.04 C ATOM 1308 O LYS A 83 8.151 9.833 -8.513 1.00 1.08 O ATOM 1309 CB LYS A 83 8.886 9.340 -11.588 1.00 1.38 C ATOM 1310 CG LYS A 83 8.627 10.849 -11.562 1.00 3.05 C ATOM 1311 CD LYS A 83 8.888 11.498 -12.932 1.00 3.24 C ATOM 1312 CE LYS A 83 7.674 11.527 -13.885 1.00 3.61 C ATOM 1313 NZ LYS A 83 7.067 10.203 -14.158 1.00 3.72 N ATOM 0 H LYS A 83 6.450 9.593 -11.392 1.00 1.02 H new ATOM 0 HA LYS A 83 8.261 7.526 -10.747 1.00 1.07 H new ATOM 0 HB2 LYS A 83 9.946 9.155 -11.417 1.00 1.38 H new ATOM 0 HB3 LYS A 83 8.651 8.953 -12.579 1.00 1.38 H new ATOM 0 HG2 LYS A 83 7.596 11.035 -11.262 1.00 3.05 H new ATOM 0 HG3 LYS A 83 9.266 11.314 -10.812 1.00 3.05 H new ATOM 0 HD2 LYS A 83 9.230 12.521 -12.773 1.00 3.24 H new ATOM 0 HD3 LYS A 83 9.702 10.962 -13.421 1.00 3.24 H new ATOM 0 HE2 LYS A 83 6.912 12.180 -13.460 1.00 3.61 H new ATOM 0 HE3 LYS A 83 7.983 11.971 -14.831 1.00 3.61 H new ATOM 0 HZ1 LYS A 83 6.413 10.280 -14.963 1.00 3.72 H new ATOM 0 HZ2 LYS A 83 7.816 9.518 -14.385 1.00 3.72 H new ATOM 0 HZ3 LYS A 83 6.546 9.880 -13.318 1.00 3.72 H new ATOM 1327 N PRO A 84 9.262 7.870 -8.472 1.00 1.02 N ATOM 1328 CA PRO A 84 9.455 7.751 -7.023 1.00 0.97 C ATOM 1329 C PRO A 84 9.865 9.027 -6.290 1.00 0.97 C ATOM 1330 O PRO A 84 9.682 9.145 -5.082 1.00 0.81 O ATOM 1331 CB PRO A 84 10.498 6.650 -6.813 1.00 0.99 C ATOM 1332 CG PRO A 84 11.075 6.377 -8.200 1.00 1.02 C ATOM 1333 CD PRO A 84 9.937 6.770 -9.140 1.00 1.06 C ATOM 0 HA PRO A 84 8.485 7.517 -6.583 1.00 0.97 H new ATOM 0 HB2 PRO A 84 11.275 6.971 -6.119 1.00 0.99 H new ATOM 0 HB3 PRO A 84 10.045 5.753 -6.391 1.00 0.99 H new ATOM 0 HG2 PRO A 84 11.972 6.968 -8.386 1.00 1.02 H new ATOM 0 HG3 PRO A 84 11.353 5.330 -8.321 1.00 1.02 H new ATOM 0 HD2 PRO A 84 10.317 7.074 -10.115 1.00 1.06 H new ATOM 0 HD3 PRO A 84 9.258 5.934 -9.309 1.00 1.06 H new ATOM 1341 N LYS A 85 10.437 9.987 -7.006 1.00 1.18 N ATOM 1342 CA LYS A 85 10.780 11.280 -6.456 1.00 1.25 C ATOM 1343 C LYS A 85 9.550 12.000 -5.903 1.00 1.22 C ATOM 1344 O LYS A 85 9.629 12.630 -4.848 1.00 1.23 O ATOM 1345 CB LYS A 85 11.481 12.113 -7.521 1.00 1.49 C ATOM 1346 CG LYS A 85 12.992 12.178 -7.279 1.00 1.50 C ATOM 1347 CD LYS A 85 13.661 10.809 -7.502 1.00 1.88 C ATOM 1348 CE LYS A 85 15.170 10.815 -7.202 1.00 2.20 C ATOM 1349 NZ LYS A 85 15.951 11.606 -8.177 1.00 2.66 N ATOM 0 H LYS A 85 10.675 9.883 -7.992 1.00 1.18 H new ATOM 0 HA LYS A 85 11.460 11.135 -5.617 1.00 1.25 H new ATOM 0 HB2 LYS A 85 11.287 11.685 -8.505 1.00 1.49 H new ATOM 0 HB3 LYS A 85 11.068 13.122 -7.525 1.00 1.49 H new ATOM 0 HG2 LYS A 85 13.437 12.914 -7.948 1.00 1.50 H new ATOM 0 HG3 LYS A 85 13.184 12.516 -6.261 1.00 1.50 H new ATOM 0 HD2 LYS A 85 13.174 10.067 -6.869 1.00 1.88 H new ATOM 0 HD3 LYS A 85 13.504 10.499 -8.535 1.00 1.88 H new ATOM 0 HE2 LYS A 85 15.334 11.217 -6.202 1.00 2.20 H new ATOM 0 HE3 LYS A 85 15.538 9.789 -7.198 1.00 2.20 H new ATOM 0 HZ1 LYS A 85 16.959 11.573 -7.923 1.00 2.66 H new ATOM 0 HZ2 LYS A 85 15.821 11.209 -9.130 1.00 2.66 H new ATOM 0 HZ3 LYS A 85 15.623 12.593 -8.165 1.00 2.66 H new ATOM 1363 N GLN A 86 8.427 11.920 -6.621 1.00 1.22 N ATOM 1364 CA GLN A 86 7.197 12.559 -6.189 1.00 1.24 C ATOM 1365 C GLN A 86 6.761 11.908 -4.880 1.00 1.07 C ATOM 1366 O GLN A 86 6.446 12.598 -3.913 1.00 1.09 O ATOM 1367 CB GLN A 86 6.118 12.457 -7.281 1.00 1.34 C ATOM 1368 CG GLN A 86 5.652 13.818 -7.808 1.00 2.26 C ATOM 1369 CD GLN A 86 4.793 14.565 -6.789 1.00 3.08 C ATOM 1370 OE1 GLN A 86 5.419 15.247 -5.833 1.00 4.51 O flip ATOM 1371 NE2 GLN A 86 3.571 14.547 -6.869 1.00 3.10 N flip ATOM 0 H GLN A 86 8.352 11.416 -7.505 1.00 1.22 H new ATOM 0 HA GLN A 86 7.357 13.624 -6.019 1.00 1.24 H new ATOM 0 HB2 GLN A 86 6.507 11.868 -8.112 1.00 1.34 H new ATOM 0 HB3 GLN A 86 5.259 11.917 -6.883 1.00 1.34 H new ATOM 0 HG2 GLN A 86 6.521 14.424 -8.063 1.00 2.26 H new ATOM 0 HG3 GLN A 86 5.082 13.675 -8.726 1.00 2.26 H new ATOM 0 HE21 GLN A 86 3.116 14.016 -7.612 1.00 3.10 H new ATOM 0 HE22 GLN A 86 3.008 15.063 -6.193 1.00 3.10 H new ATOM 1380 N LEU A 87 6.847 10.577 -4.833 1.00 0.91 N ATOM 1381 CA LEU A 87 6.522 9.822 -3.634 1.00 0.79 C ATOM 1382 C LEU A 87 7.433 10.245 -2.487 1.00 0.81 C ATOM 1383 O LEU A 87 6.947 10.512 -1.394 1.00 0.87 O ATOM 1384 CB LEU A 87 6.586 8.310 -3.886 1.00 0.68 C ATOM 1385 CG LEU A 87 5.386 7.831 -4.723 1.00 0.75 C ATOM 1386 CD1 LEU A 87 5.852 7.151 -6.010 1.00 1.10 C ATOM 1387 CD2 LEU A 87 4.536 6.849 -3.916 1.00 1.20 C ATOM 0 H LEU A 87 7.142 10.001 -5.622 1.00 0.91 H new ATOM 0 HA LEU A 87 5.493 10.047 -3.352 1.00 0.79 H new ATOM 0 HB2 LEU A 87 7.514 8.064 -4.403 1.00 0.68 H new ATOM 0 HB3 LEU A 87 6.602 7.781 -2.933 1.00 0.68 H new ATOM 0 HG LEU A 87 4.790 8.706 -4.982 1.00 0.75 H new ATOM 0 HD11 LEU A 87 4.985 6.822 -6.582 1.00 1.10 H new ATOM 0 HD12 LEU A 87 6.433 7.856 -6.604 1.00 1.10 H new ATOM 0 HD13 LEU A 87 6.471 6.289 -5.762 1.00 1.10 H new ATOM 0 HD21 LEU A 87 3.691 6.518 -4.520 1.00 1.20 H new ATOM 0 HD22 LEU A 87 5.142 5.987 -3.637 1.00 1.20 H new ATOM 0 HD23 LEU A 87 4.168 7.341 -3.015 1.00 1.20 H new ATOM 1399 N LYS A 88 8.747 10.335 -2.711 1.00 0.80 N ATOM 1400 CA LYS A 88 9.662 10.681 -1.632 1.00 0.88 C ATOM 1401 C LYS A 88 9.430 12.110 -1.133 1.00 0.98 C ATOM 1402 O LYS A 88 9.441 12.340 0.074 1.00 1.03 O ATOM 1403 CB LYS A 88 11.128 10.419 -2.011 1.00 0.90 C ATOM 1404 CG LYS A 88 11.866 9.866 -0.780 1.00 1.06 C ATOM 1405 CD LYS A 88 13.350 9.593 -1.058 1.00 1.09 C ATOM 1406 CE LYS A 88 13.930 8.536 -0.103 1.00 1.39 C ATOM 1407 NZ LYS A 88 13.859 8.908 1.327 1.00 2.04 N ATOM 0 H LYS A 88 9.191 10.175 -3.615 1.00 0.80 H new ATOM 0 HA LYS A 88 9.442 10.017 -0.796 1.00 0.88 H new ATOM 0 HB2 LYS A 88 11.184 9.708 -2.835 1.00 0.90 H new ATOM 0 HB3 LYS A 88 11.600 11.340 -2.352 1.00 0.90 H new ATOM 0 HG2 LYS A 88 11.778 10.577 0.042 1.00 1.06 H new ATOM 0 HG3 LYS A 88 11.385 8.943 -0.456 1.00 1.06 H new ATOM 0 HD2 LYS A 88 13.470 9.256 -2.088 1.00 1.09 H new ATOM 0 HD3 LYS A 88 13.914 10.520 -0.958 1.00 1.09 H new ATOM 0 HE2 LYS A 88 13.396 7.597 -0.250 1.00 1.39 H new ATOM 0 HE3 LYS A 88 14.971 8.355 -0.369 1.00 1.39 H new ATOM 0 HZ1 LYS A 88 14.429 8.243 1.887 1.00 2.04 H new ATOM 0 HZ2 LYS A 88 14.228 9.872 1.454 1.00 2.04 H new ATOM 0 HZ3 LYS A 88 12.870 8.871 1.647 1.00 2.04 H new ATOM 1421 N LYS A 89 9.213 13.072 -2.037 1.00 1.06 N ATOM 1422 CA LYS A 89 8.866 14.433 -1.631 1.00 1.20 C ATOM 1423 C LYS A 89 7.559 14.443 -0.830 1.00 1.22 C ATOM 1424 O LYS A 89 7.502 14.998 0.265 1.00 1.37 O ATOM 1425 CB LYS A 89 8.763 15.365 -2.845 1.00 1.29 C ATOM 1426 CG LYS A 89 10.145 15.730 -3.403 1.00 1.32 C ATOM 1427 CD LYS A 89 10.012 16.876 -4.417 1.00 1.60 C ATOM 1428 CE LYS A 89 11.393 17.374 -4.870 1.00 2.29 C ATOM 1429 NZ LYS A 89 11.297 18.566 -5.740 1.00 2.52 N ATOM 0 H LYS A 89 9.272 12.933 -3.046 1.00 1.06 H new ATOM 0 HA LYS A 89 9.666 14.804 -0.990 1.00 1.20 H new ATOM 0 HB2 LYS A 89 8.172 14.883 -3.624 1.00 1.29 H new ATOM 0 HB3 LYS A 89 8.234 16.275 -2.561 1.00 1.29 H new ATOM 0 HG2 LYS A 89 10.808 16.027 -2.591 1.00 1.32 H new ATOM 0 HG3 LYS A 89 10.595 14.860 -3.881 1.00 1.32 H new ATOM 0 HD2 LYS A 89 9.442 16.537 -5.282 1.00 1.60 H new ATOM 0 HD3 LYS A 89 9.453 17.699 -3.970 1.00 1.60 H new ATOM 0 HE2 LYS A 89 11.997 17.613 -3.994 1.00 2.29 H new ATOM 0 HE3 LYS A 89 11.908 16.576 -5.405 1.00 2.29 H new ATOM 0 HZ1 LYS A 89 12.251 18.868 -6.022 1.00 2.52 H new ATOM 0 HZ2 LYS A 89 10.743 18.333 -6.589 1.00 2.52 H new ATOM 0 HZ3 LYS A 89 10.829 19.337 -5.222 1.00 2.52 H new ATOM 1443 N PHE A 90 6.520 13.808 -1.371 1.00 1.11 N ATOM 1444 CA PHE A 90 5.218 13.697 -0.730 1.00 1.14 C ATOM 1445 C PHE A 90 5.393 13.118 0.672 1.00 1.17 C ATOM 1446 O PHE A 90 4.903 13.663 1.656 1.00 1.23 O ATOM 1447 CB PHE A 90 4.324 12.816 -1.606 1.00 1.04 C ATOM 1448 CG PHE A 90 3.039 12.359 -0.951 1.00 1.10 C ATOM 1449 CD1 PHE A 90 3.024 11.156 -0.219 1.00 2.37 C ATOM 1450 CD2 PHE A 90 1.838 13.056 -1.178 1.00 2.08 C ATOM 1451 CE1 PHE A 90 1.812 10.638 0.259 1.00 2.55 C ATOM 1452 CE2 PHE A 90 0.623 12.522 -0.717 1.00 2.07 C ATOM 1453 CZ PHE A 90 0.610 11.317 0.006 1.00 1.44 C ATOM 0 H PHE A 90 6.564 13.350 -2.281 1.00 1.11 H new ATOM 0 HA PHE A 90 4.745 14.674 -0.625 1.00 1.14 H new ATOM 0 HB2 PHE A 90 4.076 13.365 -2.514 1.00 1.04 H new ATOM 0 HB3 PHE A 90 4.892 11.937 -1.910 1.00 1.04 H new ATOM 0 HD1 PHE A 90 3.948 10.631 -0.025 1.00 2.37 H new ATOM 0 HD2 PHE A 90 1.850 13.999 -1.705 1.00 2.08 H new ATOM 0 HE1 PHE A 90 1.803 9.716 0.822 1.00 2.55 H new ATOM 0 HE2 PHE A 90 -0.304 13.039 -0.919 1.00 2.07 H new ATOM 0 HZ PHE A 90 -0.325 10.914 0.367 1.00 1.44 H new ATOM 1463 N ALA A 91 6.146 12.023 0.759 1.00 1.19 N ATOM 1464 CA ALA A 91 6.422 11.339 2.002 1.00 1.28 C ATOM 1465 C ALA A 91 7.080 12.315 2.968 1.00 1.42 C ATOM 1466 O ALA A 91 6.598 12.511 4.076 1.00 1.72 O ATOM 1467 CB ALA A 91 7.324 10.139 1.718 1.00 1.16 C ATOM 0 H ALA A 91 6.585 11.586 -0.051 1.00 1.19 H new ATOM 0 HA ALA A 91 5.501 10.975 2.458 1.00 1.28 H new ATOM 0 HB1 ALA A 91 7.538 9.616 2.650 1.00 1.16 H new ATOM 0 HB2 ALA A 91 6.821 9.461 1.029 1.00 1.16 H new ATOM 0 HB3 ALA A 91 8.257 10.483 1.272 1.00 1.16 H new ATOM 1473 N ALA A 92 8.151 12.968 2.516 1.00 1.38 N ATOM 1474 CA ALA A 92 8.874 13.970 3.281 1.00 1.46 C ATOM 1475 C ALA A 92 7.980 15.127 3.745 1.00 1.27 C ATOM 1476 O ALA A 92 8.296 15.771 4.741 1.00 1.42 O ATOM 1477 CB ALA A 92 10.043 14.478 2.438 1.00 1.58 C ATOM 0 H ALA A 92 8.544 12.808 1.588 1.00 1.38 H new ATOM 0 HA ALA A 92 9.245 13.503 4.193 1.00 1.46 H new ATOM 0 HB1 ALA A 92 10.596 15.231 2.999 1.00 1.58 H new ATOM 0 HB2 ALA A 92 10.706 13.647 2.196 1.00 1.58 H new ATOM 0 HB3 ALA A 92 9.663 14.919 1.516 1.00 1.58 H new ATOM 1483 N ASN A 93 6.877 15.413 3.042 1.00 0.98 N ATOM 1484 CA ASN A 93 5.929 16.426 3.513 1.00 0.95 C ATOM 1485 C ASN A 93 5.238 15.968 4.800 1.00 0.95 C ATOM 1486 O ASN A 93 4.897 16.798 5.640 1.00 0.84 O ATOM 1487 CB ASN A 93 4.887 16.815 2.451 1.00 1.11 C ATOM 1488 CG ASN A 93 5.486 17.461 1.204 1.00 1.17 C ATOM 1489 OD1 ASN A 93 5.211 17.050 0.082 1.00 2.34 O ATOM 1490 ND2 ASN A 93 6.281 18.515 1.371 1.00 2.04 N ATOM 0 H ASN A 93 6.623 14.966 2.161 1.00 0.98 H new ATOM 0 HA ASN A 93 6.514 17.322 3.721 1.00 0.95 H new ATOM 0 HB2 ASN A 93 4.333 15.924 2.156 1.00 1.11 H new ATOM 0 HB3 ASN A 93 4.169 17.504 2.896 1.00 1.11 H new ATOM 0 HD21 ASN A 93 6.671 18.993 0.559 1.00 2.04 H new ATOM 0 HD22 ASN A 93 6.500 18.845 2.311 1.00 2.04 H new ATOM 1497 N TYR A 94 5.029 14.661 4.968 1.00 1.29 N ATOM 1498 CA TYR A 94 4.550 14.097 6.222 1.00 1.46 C ATOM 1499 C TYR A 94 5.745 13.935 7.174 1.00 1.42 C ATOM 1500 O TYR A 94 6.837 13.588 6.724 1.00 1.43 O ATOM 1501 CB TYR A 94 3.827 12.783 5.950 1.00 1.77 C ATOM 1502 CG TYR A 94 2.431 13.073 5.455 1.00 1.75 C ATOM 1503 CD1 TYR A 94 2.211 13.403 4.104 1.00 1.52 C ATOM 1504 CD2 TYR A 94 1.396 13.224 6.392 1.00 3.08 C ATOM 1505 CE1 TYR A 94 0.936 13.813 3.681 1.00 1.47 C ATOM 1506 CE2 TYR A 94 0.140 13.692 5.975 1.00 3.08 C ATOM 1507 CZ TYR A 94 -0.087 13.996 4.626 1.00 1.73 C ATOM 1508 OH TYR A 94 -1.343 14.344 4.240 1.00 1.79 O ATOM 0 H TYR A 94 5.188 13.968 4.237 1.00 1.29 H new ATOM 0 HA TYR A 94 3.829 14.759 6.701 1.00 1.46 H new ATOM 0 HB2 TYR A 94 4.374 12.201 5.209 1.00 1.77 H new ATOM 0 HB3 TYR A 94 3.785 12.183 6.859 1.00 1.77 H new ATOM 0 HD1 TYR A 94 3.022 13.341 3.394 1.00 1.52 H new ATOM 0 HD2 TYR A 94 1.566 12.981 7.430 1.00 3.08 H new ATOM 0 HE1 TYR A 94 0.743 13.987 2.633 1.00 1.47 H new ATOM 0 HE2 TYR A 94 -0.654 13.818 6.696 1.00 3.08 H new ATOM 0 HH TYR A 94 -1.383 14.391 3.262 1.00 1.79 H new ATOM 1518 N PRO A 95 5.592 14.182 8.484 1.00 1.47 N ATOM 1519 CA PRO A 95 6.698 14.106 9.431 1.00 1.49 C ATOM 1520 C PRO A 95 7.009 12.644 9.786 1.00 1.53 C ATOM 1521 O PRO A 95 6.897 12.239 10.943 1.00 1.84 O ATOM 1522 CB PRO A 95 6.238 14.945 10.629 1.00 1.58 C ATOM 1523 CG PRO A 95 4.721 14.752 10.623 1.00 1.65 C ATOM 1524 CD PRO A 95 4.386 14.670 9.132 1.00 1.57 C ATOM 0 HA PRO A 95 7.636 14.492 9.033 1.00 1.49 H new ATOM 0 HB2 PRO A 95 6.685 14.598 11.560 1.00 1.58 H new ATOM 0 HB3 PRO A 95 6.512 15.994 10.516 1.00 1.58 H new ATOM 0 HG2 PRO A 95 4.428 13.845 11.152 1.00 1.65 H new ATOM 0 HG3 PRO A 95 4.207 15.583 11.106 1.00 1.65 H new ATOM 0 HD2 PRO A 95 3.547 13.997 8.956 1.00 1.57 H new ATOM 0 HD3 PRO A 95 4.099 15.646 8.741 1.00 1.57 H new ATOM 1532 N LEU A 96 7.399 11.852 8.785 1.00 1.28 N ATOM 1533 CA LEU A 96 7.742 10.443 8.919 1.00 1.26 C ATOM 1534 C LEU A 96 9.253 10.246 8.945 1.00 1.18 C ATOM 1535 O LEU A 96 10.008 11.098 8.477 1.00 0.97 O ATOM 1536 CB LEU A 96 7.072 9.619 7.811 1.00 1.27 C ATOM 1537 CG LEU A 96 7.378 10.002 6.350 1.00 1.13 C ATOM 1538 CD1 LEU A 96 8.670 9.359 5.823 1.00 1.02 C ATOM 1539 CD2 LEU A 96 6.214 9.527 5.473 1.00 1.26 C ATOM 0 H LEU A 96 7.486 12.190 7.827 1.00 1.28 H new ATOM 0 HA LEU A 96 7.359 10.082 9.874 1.00 1.26 H new ATOM 0 HB2 LEU A 96 7.355 8.576 7.951 1.00 1.27 H new ATOM 0 HB3 LEU A 96 5.993 9.678 7.955 1.00 1.27 H new ATOM 0 HG LEU A 96 7.508 11.084 6.314 1.00 1.13 H new ATOM 0 HD11 LEU A 96 8.833 9.665 4.790 1.00 1.02 H new ATOM 0 HD12 LEU A 96 9.513 9.682 6.435 1.00 1.02 H new ATOM 0 HD13 LEU A 96 8.582 8.274 5.870 1.00 1.02 H new ATOM 0 HD21 LEU A 96 6.411 9.789 4.433 1.00 1.26 H new ATOM 0 HD22 LEU A 96 6.110 8.446 5.561 1.00 1.26 H new ATOM 0 HD23 LEU A 96 5.292 10.008 5.800 1.00 1.26 H new ATOM 1551 N SER A 97 9.682 9.089 9.454 1.00 1.43 N ATOM 1552 CA SER A 97 11.000 8.545 9.175 1.00 1.24 C ATOM 1553 C SER A 97 10.798 7.440 8.141 1.00 0.93 C ATOM 1554 O SER A 97 9.833 6.681 8.210 1.00 0.96 O ATOM 1555 CB SER A 97 11.663 8.031 10.464 1.00 1.43 C ATOM 1556 OG SER A 97 12.837 7.278 10.196 1.00 2.39 O ATOM 0 H SER A 97 9.118 8.506 10.073 1.00 1.43 H new ATOM 0 HA SER A 97 11.676 9.305 8.783 1.00 1.24 H new ATOM 0 HB2 SER A 97 11.913 8.877 11.105 1.00 1.43 H new ATOM 0 HB3 SER A 97 10.954 7.413 11.015 1.00 1.43 H new ATOM 0 HG SER A 97 13.010 6.666 10.942 1.00 2.39 H new ATOM 1562 N PHE A 98 11.723 7.347 7.185 1.00 0.75 N ATOM 1563 CA PHE A 98 11.794 6.219 6.266 1.00 0.63 C ATOM 1564 C PHE A 98 12.125 4.916 7.009 1.00 0.46 C ATOM 1565 O PHE A 98 11.917 3.842 6.450 1.00 0.50 O ATOM 1566 CB PHE A 98 12.815 6.511 5.163 1.00 0.65 C ATOM 1567 CG PHE A 98 12.336 7.551 4.161 1.00 0.73 C ATOM 1568 CD1 PHE A 98 11.472 7.162 3.119 1.00 1.88 C ATOM 1569 CD2 PHE A 98 12.532 8.921 4.424 1.00 1.95 C ATOM 1570 CE1 PHE A 98 10.760 8.132 2.389 1.00 2.02 C ATOM 1571 CE2 PHE A 98 11.816 9.890 3.699 1.00 1.96 C ATOM 1572 CZ PHE A 98 10.917 9.495 2.693 1.00 1.06 C ATOM 0 H PHE A 98 12.442 8.053 7.029 1.00 0.75 H new ATOM 0 HA PHE A 98 10.816 6.082 5.804 1.00 0.63 H new ATOM 0 HB2 PHE A 98 13.743 6.856 5.619 1.00 0.65 H new ATOM 0 HB3 PHE A 98 13.044 5.585 4.635 1.00 0.65 H new ATOM 0 HD1 PHE A 98 11.355 6.115 2.879 1.00 1.88 H new ATOM 0 HD2 PHE A 98 13.234 9.228 5.185 1.00 1.95 H new ATOM 0 HE1 PHE A 98 10.093 7.829 1.595 1.00 2.02 H new ATOM 0 HE2 PHE A 98 11.957 10.939 3.915 1.00 1.96 H new ATOM 0 HZ PHE A 98 10.348 10.238 2.154 1.00 1.06 H new ATOM 1582 N ASP A 99 12.618 5.045 8.250 1.00 0.45 N ATOM 1583 CA ASP A 99 12.835 4.070 9.314 1.00 0.49 C ATOM 1584 C ASP A 99 12.742 2.617 8.886 1.00 0.50 C ATOM 1585 O ASP A 99 13.703 1.853 8.928 1.00 0.58 O ATOM 1586 CB ASP A 99 11.811 4.338 10.440 1.00 0.83 C ATOM 1587 CG ASP A 99 12.479 4.299 11.792 1.00 1.14 C ATOM 1588 OD1 ASP A 99 12.960 5.388 12.178 1.00 2.15 O ATOM 1589 OD2 ASP A 99 12.489 3.198 12.395 1.00 2.34 O ATOM 0 H ASP A 99 12.913 5.969 8.567 1.00 0.45 H new ATOM 0 HA ASP A 99 13.864 4.207 9.647 1.00 0.49 H new ATOM 0 HB2 ASP A 99 11.343 5.311 10.288 1.00 0.83 H new ATOM 0 HB3 ASP A 99 11.017 3.593 10.400 1.00 0.83 H new ATOM 1594 N ASN A 100 11.508 2.251 8.574 1.00 0.57 N ATOM 1595 CA ASN A 100 11.042 0.906 8.358 1.00 0.59 C ATOM 1596 C ASN A 100 9.795 1.025 7.484 1.00 0.51 C ATOM 1597 O ASN A 100 8.763 0.407 7.754 1.00 0.67 O ATOM 1598 CB ASN A 100 10.780 0.382 9.768 1.00 0.66 C ATOM 1599 CG ASN A 100 10.525 -1.102 9.813 1.00 0.89 C ATOM 1600 OD1 ASN A 100 11.424 -1.906 9.579 1.00 1.73 O ATOM 1601 ND2 ASN A 100 9.309 -1.470 10.175 1.00 0.59 N ATOM 0 H ASN A 100 10.763 2.938 8.459 1.00 0.57 H new ATOM 0 HA ASN A 100 11.720 0.223 7.846 1.00 0.59 H new ATOM 0 HB2 ASN A 100 11.636 0.616 10.400 1.00 0.66 H new ATOM 0 HB3 ASN A 100 9.921 0.904 10.189 1.00 0.66 H new ATOM 0 HD21 ASN A 100 9.083 -2.460 10.271 1.00 0.59 H new ATOM 0 HD22 ASN A 100 8.596 -0.764 10.358 1.00 0.59 H new ATOM 1608 N TRP A 101 9.943 1.814 6.409 1.00 0.41 N ATOM 1609 CA TRP A 101 8.884 2.215 5.496 1.00 0.39 C ATOM 1610 C TRP A 101 9.398 2.125 4.057 1.00 0.50 C ATOM 1611 O TRP A 101 10.063 3.038 3.562 1.00 0.70 O ATOM 1612 CB TRP A 101 8.398 3.631 5.852 1.00 0.39 C ATOM 1613 CG TRP A 101 7.027 4.051 5.398 1.00 0.44 C ATOM 1614 CD1 TRP A 101 6.269 3.497 4.417 1.00 0.60 C ATOM 1615 CD2 TRP A 101 6.193 5.088 5.995 1.00 0.59 C ATOM 1616 NE1 TRP A 101 5.006 4.063 4.427 1.00 0.86 N ATOM 1617 CE2 TRP A 101 4.925 5.073 5.350 1.00 0.82 C ATOM 1618 CE3 TRP A 101 6.369 6.035 7.028 1.00 0.69 C ATOM 1619 CZ2 TRP A 101 3.893 5.945 5.699 1.00 1.05 C ATOM 1620 CZ3 TRP A 101 5.293 6.822 7.475 1.00 0.90 C ATOM 1621 CH2 TRP A 101 4.071 6.813 6.788 1.00 1.07 C ATOM 0 H TRP A 101 10.849 2.203 6.148 1.00 0.41 H new ATOM 0 HA TRP A 101 8.029 1.545 5.589 1.00 0.39 H new ATOM 0 HB2 TRP A 101 8.434 3.732 6.937 1.00 0.39 H new ATOM 0 HB3 TRP A 101 9.116 4.341 5.442 1.00 0.39 H new ATOM 0 HD1 TRP A 101 6.601 2.731 3.732 1.00 0.60 H new ATOM 0 HE1 TRP A 101 4.236 3.767 3.826 1.00 0.86 H new ATOM 0 HE3 TRP A 101 7.342 6.156 7.480 1.00 0.69 H new ATOM 0 HZ2 TRP A 101 2.970 5.952 5.139 1.00 1.05 H new ATOM 0 HZ3 TRP A 101 5.409 7.438 8.354 1.00 0.90 H new ATOM 0 HH2 TRP A 101 3.271 7.470 7.095 1.00 1.07 H new ATOM 1632 N ASP A 102 9.089 1.020 3.377 1.00 0.45 N ATOM 1633 CA ASP A 102 9.644 0.718 2.065 1.00 0.54 C ATOM 1634 C ASP A 102 8.647 1.176 0.998 1.00 0.45 C ATOM 1635 O ASP A 102 7.668 0.489 0.709 1.00 0.45 O ATOM 1636 CB ASP A 102 9.944 -0.789 1.943 1.00 0.66 C ATOM 1637 CG ASP A 102 11.309 -1.217 2.469 1.00 0.77 C ATOM 1638 OD1 ASP A 102 12.283 -0.513 2.129 1.00 1.91 O ATOM 1639 OD2 ASP A 102 11.369 -2.270 3.149 1.00 1.29 O ATOM 0 H ASP A 102 8.445 0.310 3.725 1.00 0.45 H new ATOM 0 HA ASP A 102 10.586 1.248 1.925 1.00 0.54 H new ATOM 0 HB2 ASP A 102 9.174 -1.342 2.481 1.00 0.66 H new ATOM 0 HB3 ASP A 102 9.869 -1.076 0.894 1.00 0.66 H new ATOM 1644 N PHE A 103 8.912 2.336 0.386 1.00 0.47 N ATOM 1645 CA PHE A 103 8.152 2.827 -0.748 1.00 0.46 C ATOM 1646 C PHE A 103 8.602 2.050 -1.981 1.00 0.44 C ATOM 1647 O PHE A 103 9.662 2.336 -2.541 1.00 0.62 O ATOM 1648 CB PHE A 103 8.315 4.346 -0.916 1.00 0.54 C ATOM 1649 CG PHE A 103 7.699 5.187 0.193 1.00 0.47 C ATOM 1650 CD1 PHE A 103 8.324 5.307 1.451 1.00 1.84 C ATOM 1651 CD2 PHE A 103 6.456 5.817 -0.022 1.00 1.67 C ATOM 1652 CE1 PHE A 103 7.699 6.026 2.489 1.00 2.01 C ATOM 1653 CE2 PHE A 103 5.827 6.520 1.019 1.00 1.54 C ATOM 1654 CZ PHE A 103 6.444 6.625 2.277 1.00 0.71 C ATOM 0 H PHE A 103 9.668 2.958 0.673 1.00 0.47 H new ATOM 0 HA PHE A 103 7.086 2.665 -0.591 1.00 0.46 H new ATOM 0 HB2 PHE A 103 9.378 4.577 -0.978 1.00 0.54 H new ATOM 0 HB3 PHE A 103 7.868 4.641 -1.866 1.00 0.54 H new ATOM 0 HD1 PHE A 103 9.286 4.846 1.620 1.00 1.84 H new ATOM 0 HD2 PHE A 103 5.985 5.759 -0.992 1.00 1.67 H new ATOM 0 HE1 PHE A 103 8.184 6.117 3.449 1.00 2.01 H new ATOM 0 HE2 PHE A 103 4.865 6.982 0.852 1.00 1.54 H new ATOM 0 HZ PHE A 103 5.957 7.163 3.077 1.00 0.71 H new ATOM 1664 N LEU A 104 7.811 1.042 -2.352 1.00 0.38 N ATOM 1665 CA LEU A 104 8.040 0.141 -3.464 1.00 0.42 C ATOM 1666 C LEU A 104 7.640 0.811 -4.765 1.00 0.46 C ATOM 1667 O LEU A 104 6.512 1.287 -4.904 1.00 0.69 O ATOM 1668 CB LEU A 104 7.252 -1.161 -3.289 1.00 0.47 C ATOM 1669 CG LEU A 104 7.580 -1.907 -1.989 1.00 0.45 C ATOM 1670 CD1 LEU A 104 7.135 -3.361 -2.128 1.00 0.43 C ATOM 1671 CD2 LEU A 104 9.066 -1.909 -1.639 1.00 0.48 C ATOM 0 H LEU A 104 6.948 0.827 -1.852 1.00 0.38 H new ATOM 0 HA LEU A 104 9.102 -0.101 -3.491 1.00 0.42 H new ATOM 0 HB2 LEU A 104 6.186 -0.936 -3.310 1.00 0.47 H new ATOM 0 HB3 LEU A 104 7.456 -1.816 -4.136 1.00 0.47 H new ATOM 0 HG LEU A 104 7.054 -1.382 -1.192 1.00 0.45 H new ATOM 0 HD11 LEU A 104 7.364 -3.901 -1.209 1.00 0.43 H new ATOM 0 HD12 LEU A 104 6.061 -3.397 -2.312 1.00 0.43 H new ATOM 0 HD13 LEU A 104 7.662 -3.825 -2.962 1.00 0.43 H new ATOM 0 HD21 LEU A 104 9.220 -2.455 -0.708 1.00 0.48 H new ATOM 0 HD22 LEU A 104 9.628 -2.391 -2.439 1.00 0.48 H new ATOM 0 HD23 LEU A 104 9.413 -0.883 -1.519 1.00 0.48 H new ATOM 1683 N THR A 105 8.572 0.813 -5.715 1.00 0.39 N ATOM 1684 CA THR A 105 8.323 1.292 -7.058 1.00 0.42 C ATOM 1685 C THR A 105 7.422 0.279 -7.766 1.00 0.52 C ATOM 1686 O THR A 105 6.268 0.558 -8.073 1.00 0.77 O ATOM 1687 CB THR A 105 9.661 1.474 -7.795 1.00 0.57 C ATOM 1688 OG1 THR A 105 10.431 0.284 -7.757 1.00 0.73 O ATOM 1689 CG2 THR A 105 10.481 2.612 -7.186 1.00 0.83 C ATOM 0 H THR A 105 9.524 0.479 -5.566 1.00 0.39 H new ATOM 0 HA THR A 105 7.822 2.260 -7.042 1.00 0.42 H new ATOM 0 HB THR A 105 9.421 1.718 -8.830 1.00 0.57 H new ATOM 0 HG1 THR A 105 10.704 0.100 -6.834 1.00 0.73 H new ATOM 0 HG21 THR A 105 11.420 2.715 -7.729 1.00 0.83 H new ATOM 0 HG22 THR A 105 9.918 3.543 -7.255 1.00 0.83 H new ATOM 0 HG23 THR A 105 10.690 2.390 -6.139 1.00 0.83 H new ATOM 1697 N GLY A 106 7.991 -0.901 -8.017 1.00 0.71 N ATOM 1698 CA GLY A 106 7.384 -1.969 -8.796 1.00 1.07 C ATOM 1699 C GLY A 106 7.459 -1.695 -10.300 1.00 0.91 C ATOM 1700 O GLY A 106 6.802 -2.380 -11.076 1.00 1.05 O ATOM 0 H GLY A 106 8.919 -1.143 -7.669 1.00 0.71 H new ATOM 0 HA2 GLY A 106 7.886 -2.911 -8.573 1.00 1.07 H new ATOM 0 HA3 GLY A 106 6.341 -2.086 -8.500 1.00 1.07 H new ATOM 1704 N TYR A 107 8.254 -0.694 -10.705 1.00 0.82 N ATOM 1705 CA TYR A 107 8.530 -0.339 -12.087 1.00 0.78 C ATOM 1706 C TYR A 107 7.253 -0.134 -12.916 1.00 0.81 C ATOM 1707 O TYR A 107 6.147 -0.015 -12.390 1.00 1.18 O ATOM 1708 CB TYR A 107 9.503 -1.383 -12.665 1.00 0.97 C ATOM 1709 CG TYR A 107 10.285 -0.981 -13.899 1.00 1.17 C ATOM 1710 CD1 TYR A 107 11.203 0.083 -13.837 1.00 1.94 C ATOM 1711 CD2 TYR A 107 10.120 -1.691 -15.104 1.00 2.32 C ATOM 1712 CE1 TYR A 107 11.931 0.452 -14.979 1.00 2.11 C ATOM 1713 CE2 TYR A 107 10.846 -1.318 -16.248 1.00 2.74 C ATOM 1714 CZ TYR A 107 11.750 -0.244 -16.185 1.00 2.06 C ATOM 1715 OH TYR A 107 12.479 0.105 -17.282 1.00 2.56 O ATOM 0 H TYR A 107 8.739 -0.089 -10.042 1.00 0.82 H new ATOM 0 HA TYR A 107 9.012 0.638 -12.131 1.00 0.78 H new ATOM 0 HB2 TYR A 107 10.215 -1.652 -11.885 1.00 0.97 H new ATOM 0 HB3 TYR A 107 8.934 -2.282 -12.902 1.00 0.97 H new ATOM 0 HD1 TYR A 107 11.348 0.617 -12.909 1.00 1.94 H new ATOM 0 HD2 TYR A 107 9.434 -2.524 -15.149 1.00 2.32 H new ATOM 0 HE1 TYR A 107 12.631 1.273 -14.930 1.00 2.11 H new ATOM 0 HE2 TYR A 107 10.709 -1.856 -17.174 1.00 2.74 H new ATOM 0 HH TYR A 107 12.236 -0.474 -18.034 1.00 2.56 H new ATOM 1725 N SER A 108 7.419 0.011 -14.226 1.00 0.91 N ATOM 1726 CA SER A 108 6.355 0.375 -15.137 1.00 1.00 C ATOM 1727 C SER A 108 5.278 -0.709 -15.198 1.00 0.95 C ATOM 1728 O SER A 108 5.495 -1.840 -14.756 1.00 1.16 O ATOM 1729 CB SER A 108 6.962 0.622 -16.523 1.00 1.56 C ATOM 1730 OG SER A 108 8.281 1.132 -16.387 1.00 2.72 O ATOM 0 H SER A 108 8.318 -0.125 -14.688 1.00 0.91 H new ATOM 0 HA SER A 108 5.870 1.283 -14.780 1.00 1.00 H new ATOM 0 HB2 SER A 108 6.978 -0.307 -17.094 1.00 1.56 H new ATOM 0 HB3 SER A 108 6.345 1.327 -17.080 1.00 1.56 H new ATOM 0 HG SER A 108 8.926 0.399 -16.472 1.00 2.72 H new ATOM 1736 N GLN A 109 4.142 -0.349 -15.803 1.00 1.05 N ATOM 1737 CA GLN A 109 2.985 -1.193 -16.070 1.00 1.40 C ATOM 1738 C GLN A 109 3.396 -2.639 -16.340 1.00 1.59 C ATOM 1739 O GLN A 109 2.900 -3.548 -15.687 1.00 1.71 O ATOM 1740 CB GLN A 109 2.199 -0.624 -17.262 1.00 1.87 C ATOM 1741 CG GLN A 109 1.112 0.385 -16.865 1.00 2.02 C ATOM 1742 CD GLN A 109 1.615 1.642 -16.157 1.00 2.17 C ATOM 1743 OE1 GLN A 109 2.800 1.955 -16.154 1.00 3.51 O ATOM 1744 NE2 GLN A 109 0.701 2.369 -15.529 1.00 2.66 N ATOM 0 H GLN A 109 4.002 0.604 -16.139 1.00 1.05 H new ATOM 0 HA GLN A 109 2.349 -1.196 -15.184 1.00 1.40 H new ATOM 0 HB2 GLN A 109 2.896 -0.142 -17.947 1.00 1.87 H new ATOM 0 HB3 GLN A 109 1.736 -1.447 -17.806 1.00 1.87 H new ATOM 0 HG2 GLN A 109 0.573 0.685 -17.763 1.00 2.02 H new ATOM 0 HG3 GLN A 109 0.395 -0.116 -16.215 1.00 2.02 H new ATOM 0 HE21 GLN A 109 -0.278 2.085 -15.548 1.00 2.66 H new ATOM 0 HE22 GLN A 109 0.977 3.213 -15.027 1.00 2.66 H new ATOM 1753 N SER A 110 4.317 -2.843 -17.286 1.00 1.71 N ATOM 1754 CA SER A 110 4.869 -4.136 -17.648 1.00 2.08 C ATOM 1755 C SER A 110 5.127 -5.042 -16.438 1.00 1.91 C ATOM 1756 O SER A 110 4.738 -6.207 -16.451 1.00 2.17 O ATOM 1757 CB SER A 110 6.158 -3.882 -18.436 1.00 2.39 C ATOM 1758 OG SER A 110 5.990 -2.727 -19.246 1.00 2.49 O ATOM 0 H SER A 110 4.708 -2.079 -17.837 1.00 1.71 H new ATOM 0 HA SER A 110 4.141 -4.675 -18.254 1.00 2.08 H new ATOM 0 HB2 SER A 110 6.995 -3.743 -17.752 1.00 2.39 H new ATOM 0 HB3 SER A 110 6.395 -4.746 -19.058 1.00 2.39 H new ATOM 0 HG SER A 110 6.813 -2.559 -19.751 1.00 2.49 H new ATOM 1764 N GLU A 111 5.823 -4.524 -15.421 1.00 1.57 N ATOM 1765 CA GLU A 111 6.055 -5.186 -14.169 1.00 1.37 C ATOM 1766 C GLU A 111 4.785 -5.174 -13.307 1.00 1.18 C ATOM 1767 O GLU A 111 4.228 -6.221 -12.986 1.00 1.26 O ATOM 1768 CB GLU A 111 7.250 -4.487 -13.515 1.00 1.29 C ATOM 1769 CG GLU A 111 7.642 -5.227 -12.245 1.00 2.12 C ATOM 1770 CD GLU A 111 8.964 -4.746 -11.656 1.00 3.06 C ATOM 1771 OE1 GLU A 111 9.945 -4.721 -12.431 1.00 3.49 O ATOM 1772 OE2 GLU A 111 8.982 -4.437 -10.444 1.00 4.33 O ATOM 0 H GLU A 111 6.248 -3.598 -15.466 1.00 1.57 H new ATOM 0 HA GLU A 111 6.293 -6.241 -14.302 1.00 1.37 H new ATOM 0 HB2 GLU A 111 8.092 -4.460 -14.207 1.00 1.29 H new ATOM 0 HB3 GLU A 111 6.996 -3.453 -13.282 1.00 1.29 H new ATOM 0 HG2 GLU A 111 6.854 -5.104 -11.502 1.00 2.12 H new ATOM 0 HG3 GLU A 111 7.714 -6.293 -12.460 1.00 2.12 H new ATOM 1779 N ILE A 112 4.355 -3.981 -12.881 1.00 1.06 N ATOM 1780 CA ILE A 112 3.407 -3.872 -11.775 1.00 1.06 C ATOM 1781 C ILE A 112 2.013 -4.412 -12.123 1.00 1.13 C ATOM 1782 O ILE A 112 1.340 -4.902 -11.225 1.00 1.16 O ATOM 1783 CB ILE A 112 3.387 -2.445 -11.180 1.00 1.05 C ATOM 1784 CG1 ILE A 112 2.563 -2.340 -9.875 1.00 1.20 C ATOM 1785 CG2 ILE A 112 2.933 -1.390 -12.192 1.00 1.20 C ATOM 1786 CD1 ILE A 112 3.452 -2.017 -8.673 1.00 1.40 C ATOM 0 H ILE A 112 4.646 -3.089 -13.282 1.00 1.06 H new ATOM 0 HA ILE A 112 3.767 -4.529 -10.983 1.00 1.06 H new ATOM 0 HB ILE A 112 4.425 -2.234 -10.923 1.00 1.05 H new ATOM 0 HG12 ILE A 112 1.803 -1.566 -9.985 1.00 1.20 H new ATOM 0 HG13 ILE A 112 2.038 -3.279 -9.699 1.00 1.20 H new ATOM 0 HG21 ILE A 112 2.938 -0.407 -11.720 1.00 1.20 H new ATOM 0 HG22 ILE A 112 3.613 -1.387 -13.044 1.00 1.20 H new ATOM 0 HG23 ILE A 112 1.924 -1.623 -12.533 1.00 1.20 H new ATOM 0 HD11 ILE A 112 2.839 -1.951 -7.774 1.00 1.40 H new ATOM 0 HD12 ILE A 112 4.195 -2.804 -8.548 1.00 1.40 H new ATOM 0 HD13 ILE A 112 3.956 -1.065 -8.839 1.00 1.40 H new ATOM 1798 N GLU A 113 1.562 -4.324 -13.378 1.00 1.17 N ATOM 1799 CA GLU A 113 0.190 -4.634 -13.787 1.00 1.16 C ATOM 1800 C GLU A 113 -0.349 -5.902 -13.119 1.00 0.96 C ATOM 1801 O GLU A 113 -1.235 -5.813 -12.271 1.00 0.93 O ATOM 1802 CB GLU A 113 0.087 -4.656 -15.321 1.00 1.33 C ATOM 1803 CG GLU A 113 -1.340 -4.890 -15.842 1.00 1.71 C ATOM 1804 CD GLU A 113 -1.726 -6.363 -15.885 1.00 3.00 C ATOM 1805 OE1 GLU A 113 -0.964 -7.124 -16.515 1.00 3.80 O ATOM 1806 OE2 GLU A 113 -2.768 -6.694 -15.283 1.00 4.17 O ATOM 0 H GLU A 113 2.154 -4.029 -14.154 1.00 1.17 H new ATOM 0 HA GLU A 113 -0.463 -3.838 -13.431 1.00 1.16 H new ATOM 0 HB2 GLU A 113 0.457 -3.709 -15.715 1.00 1.33 H new ATOM 0 HB3 GLU A 113 0.739 -5.439 -15.709 1.00 1.33 H new ATOM 0 HG2 GLU A 113 -2.045 -4.354 -15.206 1.00 1.71 H new ATOM 0 HG3 GLU A 113 -1.429 -4.468 -16.843 1.00 1.71 H new ATOM 1813 N GLU A 114 0.204 -7.069 -13.454 1.00 0.91 N ATOM 1814 CA GLU A 114 -0.319 -8.333 -12.967 1.00 0.84 C ATOM 1815 C GLU A 114 -0.273 -8.378 -11.439 1.00 0.76 C ATOM 1816 O GLU A 114 -1.235 -8.794 -10.799 1.00 0.76 O ATOM 1817 CB GLU A 114 0.418 -9.494 -13.628 1.00 0.95 C ATOM 1818 CG GLU A 114 -0.392 -10.795 -13.548 1.00 1.20 C ATOM 1819 CD GLU A 114 0.284 -11.978 -14.236 1.00 1.30 C ATOM 1820 OE1 GLU A 114 1.279 -11.759 -14.956 1.00 1.85 O ATOM 1821 OE2 GLU A 114 -0.222 -13.102 -14.012 1.00 2.09 O ATOM 0 H GLU A 114 1.017 -7.158 -14.063 1.00 0.91 H new ATOM 0 HA GLU A 114 -1.369 -8.429 -13.244 1.00 0.84 H new ATOM 0 HB2 GLU A 114 0.617 -9.252 -14.672 1.00 0.95 H new ATOM 0 HB3 GLU A 114 1.384 -9.636 -13.144 1.00 0.95 H new ATOM 0 HG2 GLU A 114 -0.562 -11.043 -12.500 1.00 1.20 H new ATOM 0 HG3 GLU A 114 -1.370 -10.633 -14.000 1.00 1.20 H new ATOM 1828 N PHE A 115 0.822 -7.892 -10.850 1.00 0.73 N ATOM 1829 CA PHE A 115 0.996 -7.845 -9.407 1.00 0.68 C ATOM 1830 C PHE A 115 -0.134 -7.037 -8.768 1.00 0.71 C ATOM 1831 O PHE A 115 -0.772 -7.491 -7.818 1.00 0.78 O ATOM 1832 CB PHE A 115 2.395 -7.288 -9.106 1.00 0.73 C ATOM 1833 CG PHE A 115 2.622 -6.701 -7.723 1.00 0.81 C ATOM 1834 CD1 PHE A 115 2.250 -7.405 -6.564 1.00 1.62 C ATOM 1835 CD2 PHE A 115 3.254 -5.451 -7.598 1.00 2.36 C ATOM 1836 CE1 PHE A 115 2.491 -6.859 -5.293 1.00 1.61 C ATOM 1837 CE2 PHE A 115 3.501 -4.903 -6.329 1.00 2.65 C ATOM 1838 CZ PHE A 115 3.126 -5.611 -5.176 1.00 1.46 C ATOM 0 H PHE A 115 1.616 -7.518 -11.370 1.00 0.73 H new ATOM 0 HA PHE A 115 0.935 -8.841 -8.968 1.00 0.68 H new ATOM 0 HB2 PHE A 115 3.118 -8.090 -9.256 1.00 0.73 H new ATOM 0 HB3 PHE A 115 2.618 -6.516 -9.842 1.00 0.73 H new ATOM 0 HD1 PHE A 115 1.776 -8.371 -6.652 1.00 1.62 H new ATOM 0 HD2 PHE A 115 3.551 -4.909 -8.484 1.00 2.36 H new ATOM 0 HE1 PHE A 115 2.189 -7.397 -4.407 1.00 1.61 H new ATOM 0 HE2 PHE A 115 3.979 -3.938 -6.240 1.00 2.65 H new ATOM 0 HZ PHE A 115 3.326 -5.196 -4.199 1.00 1.46 H new ATOM 1848 N ALA A 116 -0.401 -5.851 -9.310 1.00 0.79 N ATOM 1849 CA ALA A 116 -1.426 -4.935 -8.854 1.00 0.96 C ATOM 1850 C ALA A 116 -2.815 -5.538 -9.027 1.00 0.93 C ATOM 1851 O ALA A 116 -3.655 -5.408 -8.138 1.00 0.98 O ATOM 1852 CB ALA A 116 -1.308 -3.630 -9.640 1.00 1.23 C ATOM 0 H ALA A 116 0.117 -5.493 -10.113 1.00 0.79 H new ATOM 0 HA ALA A 116 -1.284 -4.739 -7.791 1.00 0.96 H new ATOM 0 HB1 ALA A 116 -2.076 -2.933 -9.305 1.00 1.23 H new ATOM 0 HB2 ALA A 116 -0.323 -3.193 -9.474 1.00 1.23 H new ATOM 0 HB3 ALA A 116 -1.441 -3.832 -10.703 1.00 1.23 H new ATOM 1858 N LEU A 117 -3.059 -6.176 -10.172 1.00 0.93 N ATOM 1859 CA LEU A 117 -4.313 -6.842 -10.485 1.00 0.99 C ATOM 1860 C LEU A 117 -4.582 -7.955 -9.472 1.00 0.99 C ATOM 1861 O LEU A 117 -5.626 -7.966 -8.824 1.00 1.07 O ATOM 1862 CB LEU A 117 -4.270 -7.381 -11.931 1.00 1.06 C ATOM 1863 CG LEU A 117 -5.217 -6.658 -12.902 1.00 1.59 C ATOM 1864 CD1 LEU A 117 -6.693 -6.873 -12.542 1.00 2.01 C ATOM 1865 CD2 LEU A 117 -4.888 -5.164 -13.018 1.00 2.00 C ATOM 0 H LEU A 117 -2.371 -6.243 -10.922 1.00 0.93 H new ATOM 0 HA LEU A 117 -5.135 -6.130 -10.417 1.00 0.99 H new ATOM 0 HB2 LEU A 117 -3.250 -7.299 -12.307 1.00 1.06 H new ATOM 0 HB3 LEU A 117 -4.521 -8.442 -11.919 1.00 1.06 H new ATOM 0 HG LEU A 117 -5.054 -7.108 -13.881 1.00 1.59 H new ATOM 0 HD11 LEU A 117 -7.323 -6.343 -13.257 1.00 2.01 H new ATOM 0 HD12 LEU A 117 -6.924 -7.938 -12.575 1.00 2.01 H new ATOM 0 HD13 LEU A 117 -6.882 -6.491 -11.539 1.00 2.01 H new ATOM 0 HD21 LEU A 117 -5.581 -4.692 -13.714 1.00 2.00 H new ATOM 0 HD22 LEU A 117 -4.980 -4.694 -12.039 1.00 2.00 H new ATOM 0 HD23 LEU A 117 -3.868 -5.043 -13.384 1.00 2.00 H new ATOM 1877 N LYS A 118 -3.631 -8.880 -9.330 1.00 0.94 N ATOM 1878 CA LYS A 118 -3.712 -10.010 -8.421 1.00 1.00 C ATOM 1879 C LYS A 118 -3.916 -9.508 -6.993 1.00 1.01 C ATOM 1880 O LYS A 118 -4.871 -9.887 -6.325 1.00 1.14 O ATOM 1881 CB LYS A 118 -2.407 -10.810 -8.523 1.00 1.03 C ATOM 1882 CG LYS A 118 -2.176 -11.434 -9.907 1.00 1.55 C ATOM 1883 CD LYS A 118 -2.616 -12.901 -9.982 1.00 1.78 C ATOM 1884 CE LYS A 118 -2.296 -13.480 -11.370 1.00 2.54 C ATOM 1885 NZ LYS A 118 -0.850 -13.702 -11.575 1.00 3.16 N ATOM 0 H LYS A 118 -2.761 -8.857 -9.862 1.00 0.94 H new ATOM 0 HA LYS A 118 -4.555 -10.648 -8.686 1.00 1.00 H new ATOM 0 HB2 LYS A 118 -1.569 -10.155 -8.285 1.00 1.03 H new ATOM 0 HB3 LYS A 118 -2.416 -11.601 -7.774 1.00 1.03 H new ATOM 0 HG2 LYS A 118 -2.721 -10.858 -10.655 1.00 1.55 H new ATOM 0 HG3 LYS A 118 -1.118 -11.364 -10.159 1.00 1.55 H new ATOM 0 HD2 LYS A 118 -2.107 -13.481 -9.212 1.00 1.78 H new ATOM 0 HD3 LYS A 118 -3.685 -12.978 -9.785 1.00 1.78 H new ATOM 0 HE2 LYS A 118 -2.826 -14.424 -11.496 1.00 2.54 H new ATOM 0 HE3 LYS A 118 -2.668 -12.801 -12.137 1.00 2.54 H new ATOM 0 HZ1 LYS A 118 -0.610 -13.527 -12.572 1.00 3.16 H new ATOM 0 HZ2 LYS A 118 -0.310 -13.052 -10.969 1.00 3.16 H new ATOM 0 HZ3 LYS A 118 -0.611 -14.684 -11.329 1.00 3.16 H new ATOM 1899 N SER A 119 -2.997 -8.662 -6.526 1.00 0.91 N ATOM 1900 CA SER A 119 -2.989 -8.160 -5.169 1.00 0.96 C ATOM 1901 C SER A 119 -4.217 -7.324 -4.828 1.00 1.11 C ATOM 1902 O SER A 119 -4.861 -7.570 -3.812 1.00 1.24 O ATOM 1903 CB SER A 119 -1.702 -7.360 -4.959 1.00 0.92 C ATOM 1904 OG SER A 119 -0.592 -8.210 -5.207 1.00 1.49 O ATOM 0 H SER A 119 -2.229 -8.306 -7.096 1.00 0.91 H new ATOM 0 HA SER A 119 -3.024 -9.012 -4.490 1.00 0.96 H new ATOM 0 HB2 SER A 119 -1.677 -6.501 -5.630 1.00 0.92 H new ATOM 0 HB3 SER A 119 -1.660 -6.971 -3.941 1.00 0.92 H new ATOM 0 HG SER A 119 -0.368 -8.186 -6.161 1.00 1.49 H new ATOM 1910 N PHE A 120 -4.488 -6.285 -5.618 1.00 1.16 N ATOM 1911 CA PHE A 120 -5.480 -5.272 -5.290 1.00 1.32 C ATOM 1912 C PHE A 120 -6.628 -5.331 -6.277 1.00 1.25 C ATOM 1913 O PHE A 120 -7.728 -5.675 -5.864 1.00 1.36 O ATOM 1914 CB PHE A 120 -4.825 -3.882 -5.185 1.00 1.46 C ATOM 1915 CG PHE A 120 -3.706 -3.744 -4.156 1.00 1.66 C ATOM 1916 CD1 PHE A 120 -3.603 -4.622 -3.057 1.00 1.76 C ATOM 1917 CD2 PHE A 120 -2.778 -2.691 -4.273 1.00 2.75 C ATOM 1918 CE1 PHE A 120 -2.511 -4.539 -2.177 1.00 1.91 C ATOM 1919 CE2 PHE A 120 -1.754 -2.537 -3.320 1.00 3.00 C ATOM 1920 CZ PHE A 120 -1.599 -3.480 -2.288 1.00 2.17 C ATOM 0 H PHE A 120 -4.019 -6.125 -6.510 1.00 1.16 H new ATOM 0 HA PHE A 120 -5.905 -5.476 -4.307 1.00 1.32 H new ATOM 0 HB2 PHE A 120 -4.426 -3.616 -6.164 1.00 1.46 H new ATOM 0 HB3 PHE A 120 -5.601 -3.154 -4.948 1.00 1.46 H new ATOM 0 HD1 PHE A 120 -4.370 -5.364 -2.891 1.00 1.76 H new ATOM 0 HD2 PHE A 120 -2.853 -1.998 -5.098 1.00 2.75 H new ATOM 0 HE1 PHE A 120 -2.374 -5.291 -1.415 1.00 1.91 H new ATOM 0 HE2 PHE A 120 -1.085 -1.692 -3.381 1.00 3.00 H new ATOM 0 HZ PHE A 120 -0.783 -3.389 -1.586 1.00 2.17 H new ATOM 1930 N LYS A 121 -6.378 -5.085 -7.560 1.00 1.27 N ATOM 1931 CA LYS A 121 -7.219 -4.342 -8.497 1.00 1.44 C ATOM 1932 C LYS A 121 -6.859 -2.848 -8.507 1.00 1.58 C ATOM 1933 O LYS A 121 -7.713 -1.967 -8.445 1.00 2.04 O ATOM 1934 CB LYS A 121 -8.719 -4.713 -8.412 1.00 1.61 C ATOM 1935 CG LYS A 121 -9.773 -3.826 -7.728 1.00 1.80 C ATOM 1936 CD LYS A 121 -9.530 -3.301 -6.312 1.00 1.81 C ATOM 1937 CE LYS A 121 -10.854 -2.790 -5.730 1.00 1.89 C ATOM 1938 NZ LYS A 121 -10.730 -2.198 -4.381 1.00 2.62 N ATOM 0 H LYS A 121 -5.524 -5.422 -8.004 1.00 1.27 H new ATOM 0 HA LYS A 121 -6.984 -4.671 -9.509 1.00 1.44 H new ATOM 0 HB2 LYS A 121 -9.058 -4.858 -9.438 1.00 1.61 H new ATOM 0 HB3 LYS A 121 -8.768 -5.684 -7.919 1.00 1.61 H new ATOM 0 HG2 LYS A 121 -9.935 -2.961 -8.371 1.00 1.80 H new ATOM 0 HG3 LYS A 121 -10.707 -4.388 -7.709 1.00 1.80 H new ATOM 0 HD2 LYS A 121 -9.124 -4.093 -5.682 1.00 1.81 H new ATOM 0 HD3 LYS A 121 -8.793 -2.498 -6.330 1.00 1.81 H new ATOM 0 HE2 LYS A 121 -11.272 -2.044 -6.406 1.00 1.89 H new ATOM 0 HE3 LYS A 121 -11.564 -3.616 -5.689 1.00 1.89 H new ATOM 0 HZ1 LYS A 121 -11.664 -1.876 -4.056 1.00 2.62 H new ATOM 0 HZ2 LYS A 121 -10.361 -2.912 -3.721 1.00 2.62 H new ATOM 0 HZ3 LYS A 121 -10.078 -1.389 -4.416 1.00 2.62 H new ATOM 1952 N ALA A 122 -5.555 -2.585 -8.653 1.00 1.38 N ATOM 1953 CA ALA A 122 -4.988 -1.266 -8.915 1.00 1.60 C ATOM 1954 C ALA A 122 -4.317 -1.282 -10.297 1.00 1.57 C ATOM 1955 O ALA A 122 -4.177 -2.350 -10.890 1.00 2.35 O ATOM 1956 CB ALA A 122 -3.960 -0.930 -7.826 1.00 1.93 C ATOM 0 H ALA A 122 -4.844 -3.314 -8.589 1.00 1.38 H new ATOM 0 HA ALA A 122 -5.771 -0.508 -8.904 1.00 1.60 H new ATOM 0 HB1 ALA A 122 -3.534 0.055 -8.019 1.00 1.93 H new ATOM 0 HB2 ALA A 122 -4.449 -0.930 -6.852 1.00 1.93 H new ATOM 0 HB3 ALA A 122 -3.166 -1.676 -7.833 1.00 1.93 H new ATOM 1962 N ILE A 123 -3.845 -0.115 -10.763 1.00 1.74 N ATOM 1963 CA ILE A 123 -3.105 0.060 -12.017 1.00 1.64 C ATOM 1964 C ILE A 123 -4.007 -0.213 -13.240 1.00 1.65 C ATOM 1965 O ILE A 123 -5.185 -0.530 -13.091 1.00 2.35 O ATOM 1966 CB ILE A 123 -1.740 -0.681 -11.948 1.00 2.55 C ATOM 1967 CG1 ILE A 123 -0.696 0.153 -11.183 1.00 4.45 C ATOM 1968 CG2 ILE A 123 -1.076 -1.039 -13.283 1.00 3.61 C ATOM 1969 CD1 ILE A 123 -1.033 0.374 -9.712 1.00 5.60 C ATOM 0 H ILE A 123 -3.974 0.761 -10.257 1.00 1.74 H new ATOM 0 HA ILE A 123 -2.821 1.102 -12.162 1.00 1.64 H new ATOM 0 HB ILE A 123 -2.016 -1.612 -11.452 1.00 2.55 H new ATOM 0 HG12 ILE A 123 0.272 -0.344 -11.252 1.00 4.45 H new ATOM 0 HG13 ILE A 123 -0.593 1.122 -11.671 1.00 4.45 H new ATOM 0 HG21 ILE A 123 -0.133 -1.551 -13.094 1.00 3.61 H new ATOM 0 HG22 ILE A 123 -1.736 -1.692 -13.854 1.00 3.61 H new ATOM 0 HG23 ILE A 123 -0.887 -0.128 -13.851 1.00 3.61 H new ATOM 0 HD11 ILE A 123 -0.249 0.970 -9.245 1.00 5.60 H new ATOM 0 HD12 ILE A 123 -1.985 0.899 -9.632 1.00 5.60 H new ATOM 0 HD13 ILE A 123 -1.107 -0.589 -9.207 1.00 5.60 H new ATOM 2201 N SER A 138 -5.696 4.658 2.107 1.00 1.81 N ATOM 2202 CA SER A 138 -6.291 3.608 2.923 1.00 1.52 C ATOM 2203 C SER A 138 -5.220 2.573 3.265 1.00 1.17 C ATOM 2204 O SER A 138 -4.293 2.356 2.486 1.00 1.14 O ATOM 2205 CB SER A 138 -7.464 2.959 2.178 1.00 1.63 C ATOM 2206 OG SER A 138 -8.352 3.948 1.685 1.00 2.10 O ATOM 0 HA SER A 138 -6.679 4.035 3.848 1.00 1.52 H new ATOM 0 HB2 SER A 138 -7.088 2.356 1.351 1.00 1.63 H new ATOM 0 HB3 SER A 138 -7.998 2.284 2.847 1.00 1.63 H new ATOM 0 HG SER A 138 -7.883 4.806 1.620 1.00 2.10 H new ATOM 2212 N PHE A 139 -5.357 1.949 4.434 1.00 1.04 N ATOM 2213 CA PHE A 139 -4.468 0.919 4.945 1.00 0.80 C ATOM 2214 C PHE A 139 -4.878 -0.452 4.414 1.00 0.68 C ATOM 2215 O PHE A 139 -6.070 -0.724 4.274 1.00 0.75 O ATOM 2216 CB PHE A 139 -4.556 0.876 6.475 1.00 0.87 C ATOM 2217 CG PHE A 139 -3.417 1.579 7.175 1.00 0.90 C ATOM 2218 CD1 PHE A 139 -2.127 1.019 7.116 1.00 2.21 C ATOM 2219 CD2 PHE A 139 -3.652 2.735 7.941 1.00 1.96 C ATOM 2220 CE1 PHE A 139 -1.086 1.575 7.874 1.00 2.39 C ATOM 2221 CE2 PHE A 139 -2.609 3.289 8.701 1.00 2.02 C ATOM 2222 CZ PHE A 139 -1.342 2.680 8.699 1.00 1.38 C ATOM 0 H PHE A 139 -6.123 2.159 5.073 1.00 1.04 H new ATOM 0 HA PHE A 139 -3.454 1.154 4.622 1.00 0.80 H new ATOM 0 HB2 PHE A 139 -5.497 1.330 6.788 1.00 0.87 H new ATOM 0 HB3 PHE A 139 -4.581 -0.165 6.798 1.00 0.87 H new ATOM 0 HD1 PHE A 139 -1.939 0.161 6.487 1.00 2.21 H new ATOM 0 HD2 PHE A 139 -4.629 3.194 7.945 1.00 1.96 H new ATOM 0 HE1 PHE A 139 -0.093 1.154 7.823 1.00 2.39 H new ATOM 0 HE2 PHE A 139 -2.780 4.181 9.286 1.00 2.02 H new ATOM 0 HZ PHE A 139 -0.561 3.066 9.337 1.00 1.38 H new ATOM 2232 N TYR A 140 -3.876 -1.310 4.205 1.00 0.60 N ATOM 2233 CA TYR A 140 -3.979 -2.711 3.817 1.00 0.66 C ATOM 2234 C TYR A 140 -3.060 -3.526 4.746 1.00 0.62 C ATOM 2235 O TYR A 140 -1.846 -3.496 4.576 1.00 0.87 O ATOM 2236 CB TYR A 140 -3.510 -2.842 2.352 1.00 0.93 C ATOM 2237 CG TYR A 140 -4.592 -2.997 1.302 1.00 0.77 C ATOM 2238 CD1 TYR A 140 -5.671 -2.097 1.219 1.00 1.88 C ATOM 2239 CD2 TYR A 140 -4.548 -4.106 0.440 1.00 1.92 C ATOM 2240 CE1 TYR A 140 -6.775 -2.406 0.406 1.00 1.90 C ATOM 2241 CE2 TYR A 140 -5.662 -4.432 -0.347 1.00 2.20 C ATOM 2242 CZ TYR A 140 -6.799 -3.615 -0.309 1.00 1.38 C ATOM 2243 OH TYR A 140 -7.988 -4.137 -0.702 1.00 2.10 O ATOM 0 H TYR A 140 -2.904 -1.019 4.311 1.00 0.60 H new ATOM 0 HA TYR A 140 -5.002 -3.077 3.901 1.00 0.66 H new ATOM 0 HB2 TYR A 140 -2.919 -1.960 2.104 1.00 0.93 H new ATOM 0 HB3 TYR A 140 -2.844 -3.702 2.284 1.00 0.93 H new ATOM 0 HD1 TYR A 140 -5.651 -1.173 1.778 1.00 1.88 H new ATOM 0 HD2 TYR A 140 -3.654 -4.709 0.383 1.00 1.92 H new ATOM 0 HE1 TYR A 140 -7.602 -1.716 0.331 1.00 1.90 H new ATOM 0 HE2 TYR A 140 -5.643 -5.308 -0.979 1.00 2.20 H new ATOM 0 HH TYR A 140 -8.308 -4.769 -0.025 1.00 2.10 H new ATOM 2253 N LEU A 141 -3.577 -4.251 5.741 1.00 0.58 N ATOM 2254 CA LEU A 141 -2.757 -5.117 6.592 1.00 0.52 C ATOM 2255 C LEU A 141 -2.532 -6.443 5.878 1.00 0.57 C ATOM 2256 O LEU A 141 -3.476 -7.217 5.678 1.00 0.66 O ATOM 2257 CB LEU A 141 -3.417 -5.301 7.964 1.00 0.48 C ATOM 2258 CG LEU A 141 -2.654 -6.246 8.921 1.00 0.45 C ATOM 2259 CD1 LEU A 141 -2.776 -5.704 10.351 1.00 0.72 C ATOM 2260 CD2 LEU A 141 -3.240 -7.666 8.897 1.00 0.70 C ATOM 0 H LEU A 141 -4.569 -4.255 5.979 1.00 0.58 H new ATOM 0 HA LEU A 141 -1.786 -4.656 6.771 1.00 0.52 H new ATOM 0 HB2 LEU A 141 -3.516 -4.325 8.439 1.00 0.48 H new ATOM 0 HB3 LEU A 141 -4.426 -5.688 7.819 1.00 0.48 H new ATOM 0 HG LEU A 141 -1.614 -6.290 8.597 1.00 0.45 H new ATOM 0 HD11 LEU A 141 -2.242 -6.362 11.036 1.00 0.72 H new ATOM 0 HD12 LEU A 141 -2.346 -4.704 10.399 1.00 0.72 H new ATOM 0 HD13 LEU A 141 -3.827 -5.661 10.635 1.00 0.72 H new ATOM 0 HD21 LEU A 141 -2.679 -8.303 9.581 1.00 0.70 H new ATOM 0 HD22 LEU A 141 -4.285 -7.634 9.206 1.00 0.70 H new ATOM 0 HD23 LEU A 141 -3.172 -8.071 7.887 1.00 0.70 H new ATOM 2272 N VAL A 142 -1.279 -6.702 5.489 1.00 0.53 N ATOM 2273 CA VAL A 142 -0.938 -7.856 4.688 1.00 0.59 C ATOM 2274 C VAL A 142 -0.519 -8.984 5.627 1.00 0.56 C ATOM 2275 O VAL A 142 0.465 -8.874 6.358 1.00 0.56 O ATOM 2276 CB VAL A 142 0.111 -7.498 3.632 1.00 0.64 C ATOM 2277 CG1 VAL A 142 0.298 -8.717 2.717 1.00 0.70 C ATOM 2278 CG2 VAL A 142 -0.322 -6.283 2.794 1.00 0.67 C ATOM 0 H VAL A 142 -0.482 -6.111 5.726 1.00 0.53 H new ATOM 0 HA VAL A 142 -1.799 -8.205 4.118 1.00 0.59 H new ATOM 0 HB VAL A 142 1.044 -7.235 4.130 1.00 0.64 H new ATOM 0 HG11 VAL A 142 1.042 -8.488 1.954 1.00 0.70 H new ATOM 0 HG12 VAL A 142 0.635 -9.568 3.309 1.00 0.70 H new ATOM 0 HG13 VAL A 142 -0.650 -8.961 2.238 1.00 0.70 H new ATOM 0 HG21 VAL A 142 0.447 -6.058 2.055 1.00 0.67 H new ATOM 0 HG22 VAL A 142 -1.260 -6.507 2.285 1.00 0.67 H new ATOM 0 HG23 VAL A 142 -0.461 -5.421 3.447 1.00 0.67 H new ATOM 2288 N GLY A 143 -1.306 -10.059 5.640 1.00 0.65 N ATOM 2289 CA GLY A 143 -1.080 -11.192 6.509 1.00 0.69 C ATOM 2290 C GLY A 143 0.204 -11.945 6.157 1.00 0.63 C ATOM 2291 O GLY A 143 0.791 -11.748 5.089 1.00 0.68 O ATOM 0 H GLY A 143 -2.124 -10.160 5.039 1.00 0.65 H new ATOM 0 HA2 GLY A 143 -1.026 -10.850 7.542 1.00 0.69 H new ATOM 0 HA3 GLY A 143 -1.928 -11.873 6.442 1.00 0.69 H new ATOM 2295 N PRO A 144 0.622 -12.845 7.055 1.00 0.64 N ATOM 2296 CA PRO A 144 1.918 -13.496 7.033 1.00 0.66 C ATOM 2297 C PRO A 144 2.122 -14.307 5.757 1.00 0.65 C ATOM 2298 O PRO A 144 3.222 -14.317 5.214 1.00 0.95 O ATOM 2299 CB PRO A 144 1.971 -14.336 8.311 1.00 0.77 C ATOM 2300 CG PRO A 144 0.504 -14.595 8.650 1.00 0.82 C ATOM 2301 CD PRO A 144 -0.185 -13.321 8.162 1.00 0.76 C ATOM 0 HA PRO A 144 2.740 -12.780 7.017 1.00 0.66 H new ATOM 0 HB2 PRO A 144 2.514 -15.268 8.153 1.00 0.77 H new ATOM 0 HB3 PRO A 144 2.478 -13.804 9.116 1.00 0.77 H new ATOM 0 HG2 PRO A 144 0.122 -15.481 8.143 1.00 0.82 H new ATOM 0 HG3 PRO A 144 0.357 -14.751 9.719 1.00 0.82 H new ATOM 0 HD2 PRO A 144 -1.207 -13.525 7.843 1.00 0.76 H new ATOM 0 HD3 PRO A 144 -0.241 -12.576 8.956 1.00 0.76 H new ATOM 2309 N ASP A 145 1.074 -14.952 5.246 1.00 0.71 N ATOM 2310 CA ASP A 145 1.088 -15.720 4.008 1.00 0.67 C ATOM 2311 C ASP A 145 1.365 -14.844 2.781 1.00 0.71 C ATOM 2312 O ASP A 145 1.662 -15.369 1.710 1.00 1.22 O ATOM 2313 CB ASP A 145 -0.279 -16.391 3.779 1.00 1.16 C ATOM 2314 CG ASP A 145 -0.955 -16.970 5.011 1.00 1.75 C ATOM 2315 OD1 ASP A 145 -1.081 -16.230 6.010 1.00 2.81 O ATOM 2316 OD2 ASP A 145 -1.506 -18.088 4.905 1.00 2.29 O ATOM 0 H ASP A 145 0.161 -14.952 5.701 1.00 0.71 H new ATOM 0 HA ASP A 145 1.884 -16.456 4.118 1.00 0.67 H new ATOM 0 HB2 ASP A 145 -0.950 -15.658 3.332 1.00 1.16 H new ATOM 0 HB3 ASP A 145 -0.150 -17.191 3.050 1.00 1.16 H new ATOM 2321 N GLY A 146 1.193 -13.524 2.900 1.00 0.66 N ATOM 2322 CA GLY A 146 0.907 -12.652 1.781 1.00 0.72 C ATOM 2323 C GLY A 146 -0.572 -12.722 1.392 1.00 0.64 C ATOM 2324 O GLY A 146 -0.881 -12.626 0.212 1.00 1.10 O ATOM 0 H GLY A 146 1.251 -13.035 3.793 1.00 0.66 H new ATOM 0 HA2 GLY A 146 1.170 -11.626 2.039 1.00 0.72 H new ATOM 0 HA3 GLY A 146 1.524 -12.935 0.928 1.00 0.72 H new ATOM 2328 N LYS A 147 -1.496 -12.857 2.353 1.00 0.72 N ATOM 2329 CA LYS A 147 -2.924 -12.671 2.137 1.00 0.73 C ATOM 2330 C LYS A 147 -3.395 -11.464 2.938 1.00 0.71 C ATOM 2331 O LYS A 147 -3.139 -11.396 4.136 1.00 0.73 O ATOM 2332 CB LYS A 147 -3.715 -13.942 2.414 1.00 0.79 C ATOM 2333 CG LYS A 147 -3.673 -14.364 3.879 1.00 0.82 C ATOM 2334 CD LYS A 147 -4.075 -15.829 4.085 1.00 0.89 C ATOM 2335 CE LYS A 147 -4.136 -16.145 5.590 1.00 1.42 C ATOM 2336 NZ LYS A 147 -3.921 -17.579 5.871 1.00 1.75 N ATOM 0 H LYS A 147 -1.261 -13.102 3.315 1.00 0.72 H new ATOM 0 HA LYS A 147 -3.111 -12.462 1.084 1.00 0.73 H new ATOM 0 HB2 LYS A 147 -4.752 -13.790 2.115 1.00 0.79 H new ATOM 0 HB3 LYS A 147 -3.321 -14.750 1.798 1.00 0.79 H new ATOM 0 HG2 LYS A 147 -2.667 -14.210 4.269 1.00 0.82 H new ATOM 0 HG3 LYS A 147 -4.340 -13.724 4.456 1.00 0.82 H new ATOM 0 HD2 LYS A 147 -5.045 -16.018 3.625 1.00 0.89 H new ATOM 0 HD3 LYS A 147 -3.356 -16.486 3.595 1.00 0.89 H new ATOM 0 HE2 LYS A 147 -3.382 -15.557 6.113 1.00 1.42 H new ATOM 0 HE3 LYS A 147 -5.106 -15.841 5.984 1.00 1.42 H new ATOM 0 HZ1 LYS A 147 -3.668 -17.702 6.872 1.00 1.75 H new ATOM 0 HZ2 LYS A 147 -4.793 -18.107 5.667 1.00 1.75 H new ATOM 0 HZ3 LYS A 147 -3.150 -17.938 5.272 1.00 1.75 H new ATOM 2350 N VAL A 148 -4.056 -10.497 2.301 1.00 0.74 N ATOM 2351 CA VAL A 148 -4.463 -9.287 3.000 1.00 0.82 C ATOM 2352 C VAL A 148 -5.682 -9.599 3.858 1.00 0.88 C ATOM 2353 O VAL A 148 -6.601 -10.268 3.377 1.00 0.88 O ATOM 2354 CB VAL A 148 -4.715 -8.124 2.036 1.00 0.90 C ATOM 2355 CG1 VAL A 148 -4.762 -6.817 2.821 1.00 1.11 C ATOM 2356 CG2 VAL A 148 -3.615 -8.021 0.973 1.00 1.38 C ATOM 0 H VAL A 148 -4.316 -10.530 1.315 1.00 0.74 H new ATOM 0 HA VAL A 148 -3.650 -8.959 3.648 1.00 0.82 H new ATOM 0 HB VAL A 148 -5.665 -8.308 1.533 1.00 0.90 H new ATOM 0 HG11 VAL A 148 -4.941 -5.988 2.137 1.00 1.11 H new ATOM 0 HG12 VAL A 148 -5.567 -6.862 3.555 1.00 1.11 H new ATOM 0 HG13 VAL A 148 -3.812 -6.666 3.333 1.00 1.11 H new ATOM 0 HG21 VAL A 148 -3.829 -7.184 0.308 1.00 1.38 H new ATOM 0 HG22 VAL A 148 -2.653 -7.861 1.459 1.00 1.38 H new ATOM 0 HG23 VAL A 148 -3.580 -8.944 0.395 1.00 1.38 H new ATOM 2366 N LEU A 149 -5.628 -9.176 5.129 1.00 0.94 N ATOM 2367 CA LEU A 149 -6.521 -9.640 6.181 1.00 0.91 C ATOM 2368 C LEU A 149 -7.437 -8.563 6.739 1.00 0.82 C ATOM 2369 O LEU A 149 -8.526 -8.890 7.204 1.00 0.79 O ATOM 2370 CB LEU A 149 -5.688 -10.221 7.326 1.00 0.98 C ATOM 2371 CG LEU A 149 -5.982 -11.710 7.486 1.00 0.95 C ATOM 2372 CD1 LEU A 149 -5.365 -12.495 6.336 1.00 2.26 C ATOM 2373 CD2 LEU A 149 -5.359 -12.156 8.806 1.00 1.62 C ATOM 0 H LEU A 149 -4.947 -8.489 5.453 1.00 0.94 H new ATOM 0 HA LEU A 149 -7.165 -10.392 5.725 1.00 0.91 H new ATOM 0 HB2 LEU A 149 -4.627 -10.071 7.126 1.00 0.98 H new ATOM 0 HB3 LEU A 149 -5.915 -9.696 8.254 1.00 0.98 H new ATOM 0 HG LEU A 149 -7.057 -11.890 7.481 1.00 0.95 H new ATOM 0 HD11 LEU A 149 -5.582 -13.556 6.462 1.00 2.26 H new ATOM 0 HD12 LEU A 149 -5.785 -12.148 5.392 1.00 2.26 H new ATOM 0 HD13 LEU A 149 -4.286 -12.344 6.330 1.00 2.26 H new ATOM 0 HD21 LEU A 149 -5.548 -13.219 8.957 1.00 1.62 H new ATOM 0 HD22 LEU A 149 -4.284 -11.979 8.779 1.00 1.62 H new ATOM 0 HD23 LEU A 149 -5.799 -11.589 9.626 1.00 1.62 H new ATOM 2385 N LYS A 150 -6.974 -7.315 6.783 1.00 0.78 N ATOM 2386 CA LYS A 150 -7.783 -6.198 7.220 1.00 0.70 C ATOM 2387 C LYS A 150 -7.460 -4.971 6.373 1.00 0.74 C ATOM 2388 O LYS A 150 -6.285 -4.618 6.275 1.00 0.94 O ATOM 2389 CB LYS A 150 -7.505 -5.898 8.690 1.00 0.73 C ATOM 2390 CG LYS A 150 -8.130 -6.930 9.635 1.00 0.76 C ATOM 2391 CD LYS A 150 -8.147 -6.426 11.085 1.00 1.37 C ATOM 2392 CE LYS A 150 -6.740 -6.068 11.588 1.00 3.26 C ATOM 2393 NZ LYS A 150 -6.744 -5.663 13.009 1.00 4.45 N ATOM 0 H LYS A 150 -6.024 -7.058 6.514 1.00 0.78 H new ATOM 0 HA LYS A 150 -8.837 -6.451 7.103 1.00 0.70 H new ATOM 0 HB2 LYS A 150 -6.428 -5.869 8.853 1.00 0.73 H new ATOM 0 HB3 LYS A 150 -7.891 -4.908 8.934 1.00 0.73 H new ATOM 0 HG2 LYS A 150 -9.148 -7.150 9.313 1.00 0.76 H new ATOM 0 HG3 LYS A 150 -7.569 -7.863 9.579 1.00 0.76 H new ATOM 0 HD2 LYS A 150 -8.791 -5.550 11.156 1.00 1.37 H new ATOM 0 HD3 LYS A 150 -8.578 -7.192 11.730 1.00 1.37 H new ATOM 0 HE2 LYS A 150 -6.080 -6.926 11.458 1.00 3.26 H new ATOM 0 HE3 LYS A 150 -6.334 -5.258 10.982 1.00 3.26 H new ATOM 0 HZ1 LYS A 150 -5.775 -5.430 13.306 1.00 4.45 H new ATOM 0 HZ2 LYS A 150 -7.353 -4.829 13.131 1.00 4.45 H new ATOM 0 HZ3 LYS A 150 -7.107 -6.444 13.592 1.00 4.45 H new ATOM 2407 N ASP A 151 -8.483 -4.316 5.821 1.00 0.77 N ATOM 2408 CA ASP A 151 -8.369 -3.099 5.036 1.00 0.82 C ATOM 2409 C ASP A 151 -9.231 -2.041 5.735 1.00 1.11 C ATOM 2410 O ASP A 151 -10.349 -2.317 6.162 1.00 1.88 O ATOM 2411 CB ASP A 151 -8.810 -3.346 3.586 1.00 0.95 C ATOM 2412 CG ASP A 151 -7.997 -4.378 2.817 1.00 1.36 C ATOM 2413 OD1 ASP A 151 -6.869 -4.686 3.251 1.00 2.45 O ATOM 2414 OD2 ASP A 151 -8.503 -4.814 1.758 1.00 2.02 O ATOM 0 H ASP A 151 -9.447 -4.636 5.916 1.00 0.77 H new ATOM 0 HA ASP A 151 -7.336 -2.755 4.978 1.00 0.82 H new ATOM 0 HB2 ASP A 151 -9.853 -3.662 3.591 1.00 0.95 H new ATOM 0 HB3 ASP A 151 -8.767 -2.400 3.046 1.00 0.95 H new ATOM 2419 N TYR A 152 -8.704 -0.835 5.926 1.00 0.75 N ATOM 2420 CA TYR A 152 -9.319 0.177 6.776 1.00 0.73 C ATOM 2421 C TYR A 152 -8.817 1.540 6.320 1.00 0.85 C ATOM 2422 O TYR A 152 -7.797 1.623 5.640 1.00 1.09 O ATOM 2423 CB TYR A 152 -9.051 -0.079 8.269 1.00 1.07 C ATOM 2424 CG TYR A 152 -10.199 0.387 9.149 1.00 2.10 C ATOM 2425 CD1 TYR A 152 -10.267 1.722 9.594 1.00 3.33 C ATOM 2426 CD2 TYR A 152 -11.305 -0.464 9.341 1.00 3.27 C ATOM 2427 CE1 TYR A 152 -11.467 2.228 10.129 1.00 4.85 C ATOM 2428 CE2 TYR A 152 -12.477 0.026 9.943 1.00 4.68 C ATOM 2429 CZ TYR A 152 -12.575 1.380 10.299 1.00 5.31 C ATOM 2430 OH TYR A 152 -13.759 1.860 10.770 1.00 6.96 O ATOM 0 H TYR A 152 -7.832 -0.531 5.492 1.00 0.75 H new ATOM 0 HA TYR A 152 -10.403 0.136 6.673 1.00 0.73 H new ATOM 0 HB2 TYR A 152 -8.883 -1.144 8.428 1.00 1.07 H new ATOM 0 HB3 TYR A 152 -8.137 0.436 8.565 1.00 1.07 H new ATOM 0 HD1 TYR A 152 -9.397 2.358 9.525 1.00 3.33 H new ATOM 0 HD2 TYR A 152 -11.252 -1.495 9.025 1.00 3.27 H new ATOM 0 HE1 TYR A 152 -11.536 3.269 10.409 1.00 4.85 H new ATOM 0 HE2 TYR A 152 -13.305 -0.642 10.132 1.00 4.68 H new ATOM 0 HH TYR A 152 -14.411 1.130 10.821 1.00 6.96 H new ATOM 2440 N ASN A 153 -9.512 2.614 6.684 1.00 0.97 N ATOM 2441 CA ASN A 153 -9.219 3.952 6.224 1.00 1.35 C ATOM 2442 C ASN A 153 -9.071 4.866 7.429 1.00 1.76 C ATOM 2443 O ASN A 153 -10.003 5.005 8.214 1.00 3.10 O ATOM 2444 CB ASN A 153 -10.399 4.379 5.368 1.00 1.27 C ATOM 2445 CG ASN A 153 -10.263 5.791 4.835 1.00 1.82 C ATOM 2446 OD1 ASN A 153 -9.278 6.479 5.075 1.00 2.94 O ATOM 2447 ND2 ASN A 153 -11.285 6.258 4.135 1.00 1.61 N ATOM 0 H ASN A 153 -10.309 2.569 7.320 1.00 0.97 H new ATOM 0 HA ASN A 153 -8.294 3.998 5.650 1.00 1.35 H new ATOM 0 HB2 ASN A 153 -10.502 3.689 4.531 1.00 1.27 H new ATOM 0 HB3 ASN A 153 -11.313 4.305 5.957 1.00 1.27 H new ATOM 0 HD21 ASN A 153 -11.266 7.214 3.780 1.00 1.61 H new ATOM 0 HD22 ASN A 153 -12.092 5.662 3.951 1.00 1.61 H new ATOM 2520 N PRO A 159 -13.761 2.201 4.730 1.00 1.68 N ATOM 2521 CA PRO A 159 -12.741 1.412 5.400 1.00 1.36 C ATOM 2522 C PRO A 159 -12.070 0.415 4.463 1.00 1.19 C ATOM 2523 O PRO A 159 -10.853 0.466 4.325 1.00 1.33 O ATOM 2524 CB PRO A 159 -13.399 0.788 6.629 1.00 1.46 C ATOM 2525 CG PRO A 159 -14.896 0.872 6.342 1.00 1.59 C ATOM 2526 CD PRO A 159 -15.037 2.064 5.398 1.00 1.80 C ATOM 0 HA PRO A 159 -11.909 2.037 5.726 1.00 1.36 H new ATOM 0 HB2 PRO A 159 -13.079 -0.244 6.770 1.00 1.46 H new ATOM 0 HB3 PRO A 159 -13.138 1.330 7.538 1.00 1.46 H new ATOM 0 HG2 PRO A 159 -15.264 -0.045 5.882 1.00 1.59 H new ATOM 0 HG3 PRO A 159 -15.468 1.021 7.258 1.00 1.59 H new ATOM 0 HD2 PRO A 159 -15.838 1.898 4.678 1.00 1.80 H new ATOM 0 HD3 PRO A 159 -15.287 2.970 5.950 1.00 1.80 H new ATOM 2534 N TYR A 160 -12.877 -0.378 3.756 1.00 1.18 N ATOM 2535 CA TYR A 160 -12.591 -1.500 2.883 1.00 1.30 C ATOM 2536 C TYR A 160 -12.647 -2.881 3.521 1.00 1.37 C ATOM 2537 O TYR A 160 -12.888 -3.794 2.749 1.00 1.48 O ATOM 2538 CB TYR A 160 -11.230 -1.384 2.207 1.00 1.74 C ATOM 2539 CG TYR A 160 -10.976 -0.252 1.234 1.00 2.02 C ATOM 2540 CD1 TYR A 160 -11.854 -0.057 0.152 1.00 2.09 C ATOM 2541 CD2 TYR A 160 -9.661 0.238 1.147 1.00 3.53 C ATOM 2542 CE1 TYR A 160 -11.377 0.458 -1.062 1.00 2.44 C ATOM 2543 CE2 TYR A 160 -9.174 0.718 -0.078 1.00 4.07 C ATOM 2544 CZ TYR A 160 -10.018 0.784 -1.196 1.00 3.14 C ATOM 2545 OH TYR A 160 -9.475 0.950 -2.436 1.00 3.84 O ATOM 0 H TYR A 160 -13.884 -0.218 3.794 1.00 1.18 H new ATOM 0 HA TYR A 160 -13.409 -1.429 2.166 1.00 1.30 H new ATOM 0 HB2 TYR A 160 -10.479 -1.313 2.994 1.00 1.74 H new ATOM 0 HB3 TYR A 160 -11.048 -2.318 1.676 1.00 1.74 H new ATOM 0 HD1 TYR A 160 -12.900 -0.305 0.257 1.00 2.09 H new ATOM 0 HD2 TYR A 160 -9.027 0.245 2.021 1.00 3.53 H new ATOM 0 HE1 TYR A 160 -12.053 0.603 -1.892 1.00 2.44 H new ATOM 0 HE2 TYR A 160 -8.146 1.038 -0.160 1.00 4.07 H new ATOM 0 HH TYR A 160 -8.981 1.796 -2.466 1.00 3.84 H new ATOM 2555 N ASP A 161 -12.594 -3.101 4.837 1.00 1.53 N ATOM 2556 CA ASP A 161 -12.840 -4.452 5.357 1.00 1.87 C ATOM 2557 C ASP A 161 -14.154 -4.986 4.788 1.00 1.62 C ATOM 2558 O ASP A 161 -14.228 -6.081 4.236 1.00 1.62 O ATOM 2559 CB ASP A 161 -12.957 -4.439 6.889 1.00 2.50 C ATOM 2560 CG ASP A 161 -11.639 -4.526 7.647 1.00 3.07 C ATOM 2561 OD1 ASP A 161 -10.701 -5.131 7.090 1.00 3.69 O ATOM 2562 OD2 ASP A 161 -11.596 -4.041 8.799 1.00 3.77 O ATOM 0 H ASP A 161 -12.391 -2.392 5.541 1.00 1.53 H new ATOM 0 HA ASP A 161 -12.002 -5.084 5.062 1.00 1.87 H new ATOM 0 HB2 ASP A 161 -13.469 -3.525 7.189 1.00 2.50 H new ATOM 0 HB3 ASP A 161 -13.588 -5.273 7.195 1.00 2.50 H new ATOM 2567 N ASP A 162 -15.174 -4.142 4.877 1.00 1.62 N ATOM 2568 CA ASP A 162 -16.521 -4.372 4.411 1.00 1.92 C ATOM 2569 C ASP A 162 -16.524 -4.526 2.890 1.00 1.73 C ATOM 2570 O ASP A 162 -16.922 -5.564 2.366 1.00 1.88 O ATOM 2571 CB ASP A 162 -17.417 -3.209 4.881 1.00 2.27 C ATOM 2572 CG ASP A 162 -16.945 -1.817 4.448 1.00 2.88 C ATOM 2573 OD1 ASP A 162 -15.730 -1.683 4.159 1.00 3.68 O ATOM 2574 OD2 ASP A 162 -17.800 -0.910 4.381 1.00 3.69 O ATOM 0 H ASP A 162 -15.068 -3.222 5.305 1.00 1.62 H new ATOM 0 HA ASP A 162 -16.919 -5.297 4.829 1.00 1.92 H new ATOM 0 HB2 ASP A 162 -18.426 -3.370 4.500 1.00 2.27 H new ATOM 0 HB3 ASP A 162 -17.479 -3.234 5.969 1.00 2.27 H new ATOM 2579 N ILE A 163 -16.074 -3.492 2.180 1.00 1.67 N ATOM 2580 CA ILE A 163 -16.171 -3.402 0.729 1.00 1.84 C ATOM 2581 C ILE A 163 -15.379 -4.551 0.100 1.00 1.67 C ATOM 2582 O ILE A 163 -15.896 -5.295 -0.730 1.00 1.90 O ATOM 2583 CB ILE A 163 -15.679 -2.026 0.242 1.00 2.01 C ATOM 2584 CG1 ILE A 163 -16.463 -0.857 0.877 1.00 2.21 C ATOM 2585 CG2 ILE A 163 -15.747 -1.910 -1.287 1.00 2.48 C ATOM 2586 CD1 ILE A 163 -15.529 0.174 1.521 1.00 2.30 C ATOM 0 H ILE A 163 -15.625 -2.682 2.607 1.00 1.67 H new ATOM 0 HA ILE A 163 -17.212 -3.495 0.419 1.00 1.84 H new ATOM 0 HB ILE A 163 -14.640 -1.954 0.563 1.00 2.01 H new ATOM 0 HG12 ILE A 163 -17.070 -0.370 0.114 1.00 2.21 H new ATOM 0 HG13 ILE A 163 -17.149 -1.246 1.630 1.00 2.21 H new ATOM 0 HG21 ILE A 163 -15.392 -0.926 -1.593 1.00 2.48 H new ATOM 0 HG22 ILE A 163 -15.120 -2.679 -1.738 1.00 2.48 H new ATOM 0 HG23 ILE A 163 -16.777 -2.043 -1.616 1.00 2.48 H new ATOM 0 HD11 ILE A 163 -16.121 0.979 1.956 1.00 2.30 H new ATOM 0 HD12 ILE A 163 -14.940 -0.306 2.302 1.00 2.30 H new ATOM 0 HD13 ILE A 163 -14.861 0.583 0.763 1.00 2.30 H new ATOM 2598 N ILE A 164 -14.112 -4.700 0.485 1.00 1.40 N ATOM 2599 CA ILE A 164 -13.249 -5.748 -0.015 1.00 1.41 C ATOM 2600 C ILE A 164 -13.799 -7.107 0.389 1.00 1.24 C ATOM 2601 O ILE A 164 -13.810 -7.978 -0.470 1.00 1.32 O ATOM 2602 CB ILE A 164 -11.793 -5.515 0.408 1.00 1.60 C ATOM 2603 CG1 ILE A 164 -11.111 -4.437 -0.451 1.00 2.07 C ATOM 2604 CG2 ILE A 164 -10.954 -6.796 0.364 1.00 1.76 C ATOM 2605 CD1 ILE A 164 -11.972 -3.286 -0.979 1.00 2.09 C ATOM 0 H ILE A 164 -13.659 -4.085 1.161 1.00 1.40 H new ATOM 0 HA ILE A 164 -13.238 -5.727 -1.105 1.00 1.41 H new ATOM 0 HB ILE A 164 -11.843 -5.171 1.441 1.00 1.60 H new ATOM 0 HG12 ILE A 164 -10.301 -4.005 0.137 1.00 2.07 H new ATOM 0 HG13 ILE A 164 -10.654 -4.933 -1.308 1.00 2.07 H new ATOM 0 HG21 ILE A 164 -9.933 -6.573 0.673 1.00 1.76 H new ATOM 0 HG22 ILE A 164 -11.384 -7.536 1.039 1.00 1.76 H new ATOM 0 HG23 ILE A 164 -10.948 -7.192 -0.651 1.00 1.76 H new ATOM 0 HD11 ILE A 164 -11.353 -2.608 -1.566 1.00 2.09 H new ATOM 0 HD12 ILE A 164 -12.768 -3.686 -1.607 1.00 2.09 H new ATOM 0 HD13 ILE A 164 -12.409 -2.744 -0.140 1.00 2.09 H new ATOM 2617 N SER A 165 -14.265 -7.318 1.628 1.00 1.26 N ATOM 2618 CA SER A 165 -14.920 -8.579 1.980 1.00 1.51 C ATOM 2619 C SER A 165 -16.056 -8.871 0.988 1.00 1.70 C ATOM 2620 O SER A 165 -16.109 -9.953 0.399 1.00 1.83 O ATOM 2621 CB SER A 165 -15.449 -8.543 3.421 1.00 1.99 C ATOM 2622 OG SER A 165 -16.148 -9.729 3.747 1.00 2.73 O ATOM 0 H SER A 165 -14.201 -6.642 2.390 1.00 1.26 H new ATOM 0 HA SER A 165 -14.185 -9.381 1.920 1.00 1.51 H new ATOM 0 HB2 SER A 165 -14.617 -8.409 4.112 1.00 1.99 H new ATOM 0 HB3 SER A 165 -16.109 -7.685 3.546 1.00 1.99 H new ATOM 0 HG SER A 165 -16.470 -9.675 4.671 1.00 2.73 H new ATOM 2628 N ASP A 166 -16.949 -7.896 0.775 1.00 1.90 N ATOM 2629 CA ASP A 166 -18.102 -8.083 -0.101 1.00 2.36 C ATOM 2630 C ASP A 166 -17.659 -8.445 -1.521 1.00 2.35 C ATOM 2631 O ASP A 166 -18.002 -9.509 -2.040 1.00 2.53 O ATOM 2632 CB ASP A 166 -18.984 -6.832 -0.103 1.00 2.66 C ATOM 2633 CG ASP A 166 -20.109 -6.994 -1.115 1.00 3.21 C ATOM 2634 OD1 ASP A 166 -21.083 -7.696 -0.772 1.00 2.72 O ATOM 2635 OD2 ASP A 166 -19.954 -6.444 -2.226 1.00 4.57 O ATOM 0 H ASP A 166 -16.891 -6.971 1.200 1.00 1.90 H new ATOM 0 HA ASP A 166 -18.692 -8.915 0.285 1.00 2.36 H new ATOM 0 HB2 ASP A 166 -19.399 -6.667 0.891 1.00 2.66 H new ATOM 0 HB3 ASP A 166 -18.386 -5.955 -0.349 1.00 2.66 H new ATOM 2640 N VAL A 167 -16.850 -7.574 -2.129 1.00 2.23 N ATOM 2641 CA VAL A 167 -16.308 -7.777 -3.462 1.00 2.44 C ATOM 2642 C VAL A 167 -15.619 -9.140 -3.537 1.00 2.12 C ATOM 2643 O VAL A 167 -15.844 -9.903 -4.470 1.00 2.32 O ATOM 2644 CB VAL A 167 -15.361 -6.615 -3.818 1.00 2.55 C ATOM 2645 CG1 VAL A 167 -14.577 -6.889 -5.109 1.00 2.98 C ATOM 2646 CG2 VAL A 167 -16.156 -5.316 -4.008 1.00 2.99 C ATOM 0 H VAL A 167 -16.553 -6.698 -1.698 1.00 2.23 H new ATOM 0 HA VAL A 167 -17.110 -7.780 -4.200 1.00 2.44 H new ATOM 0 HB VAL A 167 -14.659 -6.518 -2.990 1.00 2.55 H new ATOM 0 HG11 VAL A 167 -13.922 -6.045 -5.323 1.00 2.98 H new ATOM 0 HG12 VAL A 167 -13.978 -7.791 -4.986 1.00 2.98 H new ATOM 0 HG13 VAL A 167 -15.274 -7.026 -5.936 1.00 2.98 H new ATOM 0 HG21 VAL A 167 -15.473 -4.505 -4.259 1.00 2.99 H new ATOM 0 HG22 VAL A 167 -16.877 -5.446 -4.815 1.00 2.99 H new ATOM 0 HG23 VAL A 167 -16.683 -5.074 -3.085 1.00 2.99 H new ATOM 2656 N LYS A 168 -14.782 -9.470 -2.555 1.00 1.66 N ATOM 2657 CA LYS A 168 -14.064 -10.730 -2.519 1.00 1.45 C ATOM 2658 C LYS A 168 -15.009 -11.920 -2.512 1.00 1.62 C ATOM 2659 O LYS A 168 -14.750 -12.907 -3.206 1.00 1.69 O ATOM 2660 CB LYS A 168 -13.138 -10.787 -1.296 1.00 1.23 C ATOM 2661 CG LYS A 168 -11.771 -10.173 -1.629 1.00 1.76 C ATOM 2662 CD LYS A 168 -11.021 -11.295 -2.346 1.00 2.69 C ATOM 2663 CE LYS A 168 -9.647 -10.988 -2.905 1.00 3.78 C ATOM 2664 NZ LYS A 168 -9.106 -12.114 -3.711 1.00 5.34 N ATOM 0 H LYS A 168 -14.586 -8.862 -1.760 1.00 1.66 H new ATOM 0 HA LYS A 168 -13.463 -10.787 -3.427 1.00 1.45 H new ATOM 0 HB2 LYS A 168 -13.592 -10.250 -0.463 1.00 1.23 H new ATOM 0 HB3 LYS A 168 -13.011 -11.821 -0.976 1.00 1.23 H new ATOM 0 HG2 LYS A 168 -11.874 -9.293 -2.264 1.00 1.76 H new ATOM 0 HG3 LYS A 168 -11.247 -9.856 -0.728 1.00 1.76 H new ATOM 0 HD2 LYS A 168 -10.920 -12.127 -1.649 1.00 2.69 H new ATOM 0 HD3 LYS A 168 -11.646 -11.642 -3.169 1.00 2.69 H new ATOM 0 HE2 LYS A 168 -9.700 -10.092 -3.524 1.00 3.78 H new ATOM 0 HE3 LYS A 168 -8.963 -10.769 -2.085 1.00 3.78 H new ATOM 0 HZ1 LYS A 168 -8.239 -11.808 -4.197 1.00 5.34 H new ATOM 0 HZ2 LYS A 168 -8.887 -12.915 -3.085 1.00 5.34 H new ATOM 0 HZ3 LYS A 168 -9.813 -12.408 -4.415 1.00 5.34 H new ATOM 2678 N SER A 169 -16.070 -11.829 -1.709 1.00 1.88 N ATOM 2679 CA SER A 169 -17.111 -12.835 -1.673 1.00 2.37 C ATOM 2680 C SER A 169 -17.679 -12.995 -3.086 1.00 2.73 C ATOM 2681 O SER A 169 -17.518 -14.042 -3.716 1.00 2.98 O ATOM 2682 CB SER A 169 -18.175 -12.461 -0.629 1.00 2.81 C ATOM 2683 OG SER A 169 -19.058 -13.545 -0.425 1.00 3.22 O ATOM 0 H SER A 169 -16.224 -11.051 -1.067 1.00 1.88 H new ATOM 0 HA SER A 169 -16.712 -13.801 -1.362 1.00 2.37 H new ATOM 0 HB2 SER A 169 -17.694 -12.192 0.311 1.00 2.81 H new ATOM 0 HB3 SER A 169 -18.732 -11.586 -0.964 1.00 2.81 H new ATOM 0 HG SER A 169 -19.731 -13.297 0.243 1.00 3.22 H new ATOM 2689 N ALA A 170 -18.284 -11.914 -3.589 1.00 2.85 N ATOM 2690 CA ALA A 170 -18.981 -11.860 -4.865 1.00 3.31 C ATOM 2691 C ALA A 170 -18.124 -12.391 -6.014 1.00 3.27 C ATOM 2692 O ALA A 170 -18.577 -13.236 -6.781 1.00 3.52 O ATOM 2693 CB ALA A 170 -19.424 -10.419 -5.138 1.00 3.51 C ATOM 0 H ALA A 170 -18.298 -11.022 -3.095 1.00 2.85 H new ATOM 0 HA ALA A 170 -19.855 -12.508 -4.803 1.00 3.31 H new ATOM 0 HB1 ALA A 170 -19.947 -10.374 -6.093 1.00 3.51 H new ATOM 0 HB2 ALA A 170 -20.092 -10.087 -4.343 1.00 3.51 H new ATOM 0 HB3 ALA A 170 -18.549 -9.770 -5.172 1.00 3.51 H new ATOM 2699 N SER A 171 -16.899 -11.876 -6.147 1.00 3.06 N ATOM 2700 CA SER A 171 -16.016 -12.191 -7.256 1.00 3.23 C ATOM 2701 C SER A 171 -15.788 -13.693 -7.394 1.00 3.31 C ATOM 2702 O SER A 171 -16.057 -14.250 -8.456 1.00 3.71 O ATOM 2703 CB SER A 171 -14.697 -11.426 -7.114 1.00 2.99 C ATOM 2704 OG SER A 171 -14.953 -10.038 -7.220 1.00 3.35 O ATOM 0 H SER A 171 -16.495 -11.222 -5.477 1.00 3.06 H new ATOM 0 HA SER A 171 -16.501 -11.868 -8.178 1.00 3.23 H new ATOM 0 HB2 SER A 171 -14.234 -11.651 -6.153 1.00 2.99 H new ATOM 0 HB3 SER A 171 -13.996 -11.739 -7.887 1.00 2.99 H new ATOM 0 HG SER A 171 -15.293 -9.702 -6.365 1.00 3.35 H new ATOM 2710 N THR A 172 -15.247 -14.347 -6.359 1.00 3.07 N ATOM 2711 CA THR A 172 -14.888 -15.760 -6.453 1.00 3.30 C ATOM 2712 C THR A 172 -14.578 -16.341 -5.081 1.00 2.63 C ATOM 2713 O THR A 172 -13.832 -17.312 -4.973 1.00 2.67 O ATOM 2714 CB THR A 172 -13.707 -15.925 -7.421 1.00 3.93 C ATOM 2715 OG1 THR A 172 -13.345 -17.280 -7.587 1.00 3.75 O ATOM 2716 CG2 THR A 172 -12.470 -15.113 -7.025 1.00 4.58 C ATOM 0 H THR A 172 -15.051 -13.920 -5.454 1.00 3.07 H new ATOM 0 HA THR A 172 -15.738 -16.319 -6.845 1.00 3.30 H new ATOM 0 HB THR A 172 -14.070 -15.529 -8.370 1.00 3.93 H new ATOM 0 HG1 THR A 172 -13.395 -17.740 -6.723 1.00 3.75 H new ATOM 0 HG21 THR A 172 -11.677 -15.279 -7.754 1.00 4.58 H new ATOM 0 HG22 THR A 172 -12.723 -14.053 -7.000 1.00 4.58 H new ATOM 0 HG23 THR A 172 -12.128 -15.428 -6.039 1.00 4.58 H new