USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1371 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 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 188 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-0.91) USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= -0.957 USER MOD Set 2.2: A 176 HIS : no HD1:sc= -3.58! C(o=-4.5!,f=-11!) USER MOD Set 3.1: A 106 LYS NZ :NH3+ -145:sc= 2.27 (180deg=0.328) USER MOD Set 3.2: A 113 MET CE :methyl -150:sc= -0.322 (180deg=-1.26!) USER MOD Set 3.3: A 114 THR OG1 : rot 74:sc= 1.29 USER MOD Set 4.1: A 5 SER OG : rot 90:sc= 1.2 USER MOD Set 4.2: A 75 ASN : amide:sc= 1.4 K(o=2.6,f=-2.8) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -114:sc= 1.18 USER MOD Single : A 12 ASN : amide:sc= -0.242 K(o=-0.24,f=-4.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -164:sc= -0.548 (180deg=-0.982) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -2.55! USER MOD Single : A 24 MET CE :methyl 138:sc= -0.172 (180deg=-1.79!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 75:sc= 0.106 USER MOD Single : A 31 MET CE :methyl 170:sc= -4.09! (180deg=-4.32) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 SER OG : rot 180:sc= -0.273 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0.877 (180deg=0.838) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0458 (180deg=-0.248) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= -6.3! (180deg=-9.8!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -159:sc= -0.198 (180deg=-1.01) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -109:sc= -4.3! (180deg=-5.72!) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.0225 USER MOD Single : A 83 LYS NZ :NH3+ -127:sc= -0.0124 (180deg=-0.447) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.6!) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= 1.37 (180deg=1.09) USER MOD Single : A 92 MET CE :methyl -176:sc= -2.91 (180deg=-3.13) USER MOD Single : A 96 THR OG1 : rot 126:sc= 0.569 USER MOD Single : A 98 LYS NZ :NH3+ 141:sc= -2.68! (180deg=-4.86!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -125:sc= -5.29! (180deg=-7.71!) USER MOD Single : A 105 SER OG : rot 130:sc= -0.0708 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 111 MET CE :methyl 160:sc= -5.56! (180deg=-7.31!) USER MOD Single : A 116 CYS SG : rot 90:sc= -3.09! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 1.76 K(o=1.8,f=-5.7!) USER MOD Single : A 124 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-0.29) USER MOD Single : A 127 TYR OH : rot 165:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 142:sc= 1.3 (180deg=-1.19) USER MOD Single : A 172 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.05) USER MOD Single : A 179 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 GLN :FLIP amide:sc= -4.77! C(o=-5.5!,f=-4.8!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.033 1.503 7.113 1.00 1.00 N ATOM 107 CA VAL A 2 -27.800 1.271 7.828 1.00 0.98 C ATOM 108 C VAL A 2 -26.784 0.720 6.841 1.00 0.79 C ATOM 109 O VAL A 2 -26.303 -0.403 6.957 1.00 0.92 O ATOM 110 CB VAL A 2 -27.974 0.300 9.020 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.828 0.932 10.107 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.581 -1.018 8.562 1.00 1.32 C ATOM 0 HA VAL A 2 -27.461 2.215 8.254 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.987 0.094 9.434 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.938 0.233 10.936 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.348 1.844 10.463 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -29.811 1.173 9.703 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.693 -1.684 9.418 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.558 -0.833 8.115 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -27.927 -1.483 7.824 1.00 1.32 H new ATOM 122 N ALA A 3 -26.520 1.511 5.824 1.00 0.66 N ATOM 123 CA ALA A 3 -25.581 1.144 4.792 1.00 0.55 C ATOM 124 C ALA A 3 -24.728 2.337 4.460 1.00 0.60 C ATOM 125 O ALA A 3 -25.156 3.480 4.622 1.00 1.10 O ATOM 126 CB ALA A 3 -26.306 0.639 3.550 1.00 0.63 C ATOM 0 H ALA A 3 -26.951 2.426 5.691 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.948 0.334 5.154 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.576 0.369 2.787 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.902 -0.236 3.808 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -26.959 1.423 3.166 1.00 0.63 H new ATOM 132 N LEU A 4 -23.533 2.070 4.005 1.00 0.45 N ATOM 133 CA LEU A 4 -22.585 3.116 3.691 1.00 0.41 C ATOM 134 C LEU A 4 -22.407 3.218 2.188 1.00 0.39 C ATOM 135 O LEU A 4 -22.105 2.229 1.525 1.00 0.38 O ATOM 136 CB LEU A 4 -21.243 2.841 4.371 1.00 0.41 C ATOM 137 CG LEU A 4 -21.066 3.441 5.773 1.00 0.56 C ATOM 138 CD1 LEU A 4 -22.201 3.052 6.701 1.00 1.16 C ATOM 139 CD2 LEU A 4 -19.743 2.996 6.359 1.00 1.46 C ATOM 0 H LEU A 4 -23.186 1.125 3.840 1.00 0.45 H new ATOM 0 HA LEU A 4 -22.970 4.065 4.065 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.107 1.762 4.439 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.448 3.223 3.730 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.078 4.526 5.674 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -22.037 3.497 7.682 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.145 3.412 6.292 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -22.237 1.967 6.796 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -19.623 3.425 7.354 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -19.723 1.908 6.428 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -18.929 3.334 5.718 1.00 1.46 H new ATOM 151 N SER A 5 -22.592 4.414 1.665 1.00 0.41 N ATOM 152 CA SER A 5 -22.470 4.646 0.238 1.00 0.42 C ATOM 153 C SER A 5 -21.060 5.124 -0.065 1.00 0.37 C ATOM 154 O SER A 5 -20.713 6.278 0.197 1.00 0.42 O ATOM 155 CB SER A 5 -23.512 5.662 -0.231 1.00 0.51 C ATOM 156 OG SER A 5 -24.822 5.218 0.081 1.00 1.28 O ATOM 0 H SER A 5 -22.828 5.244 2.209 1.00 0.41 H new ATOM 0 HA SER A 5 -22.654 3.718 -0.303 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.327 6.626 0.244 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.421 5.814 -1.307 1.00 0.51 H new ATOM 0 HG SER A 5 -25.071 5.536 0.974 1.00 1.28 H new ATOM 162 N LEU A 6 -20.247 4.216 -0.578 1.00 0.31 N ATOM 163 CA LEU A 6 -18.828 4.469 -0.740 1.00 0.28 C ATOM 164 C LEU A 6 -18.446 4.481 -2.213 1.00 0.28 C ATOM 165 O LEU A 6 -18.911 3.648 -2.997 1.00 0.31 O ATOM 166 CB LEU A 6 -18.020 3.395 0.001 1.00 0.26 C ATOM 167 CG LEU A 6 -18.475 3.108 1.437 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.611 2.031 2.075 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.448 4.378 2.273 1.00 0.62 C ATOM 0 H LEU A 6 -20.549 3.293 -0.890 1.00 0.31 H new ATOM 0 HA LEU A 6 -18.601 5.448 -0.318 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.069 2.468 -0.570 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -16.974 3.701 0.023 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.501 2.743 1.399 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -17.954 1.845 3.093 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.686 1.112 1.494 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.573 2.363 2.096 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -18.774 4.152 3.288 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.433 4.776 2.298 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.117 5.118 1.833 1.00 0.62 H new ATOM 181 N LYS A 7 -17.614 5.441 -2.586 1.00 0.29 N ATOM 182 CA LYS A 7 -17.077 5.502 -3.935 1.00 0.31 C ATOM 183 C LYS A 7 -15.871 4.590 -4.060 1.00 0.29 C ATOM 184 O LYS A 7 -14.808 4.888 -3.525 1.00 0.31 O ATOM 185 CB LYS A 7 -16.669 6.930 -4.296 1.00 0.39 C ATOM 186 CG LYS A 7 -17.804 7.792 -4.812 1.00 0.52 C ATOM 187 CD LYS A 7 -17.302 9.178 -5.181 1.00 0.63 C ATOM 188 CE LYS A 7 -18.306 9.934 -6.028 1.00 0.94 C ATOM 189 NZ LYS A 7 -17.847 11.316 -6.321 1.00 1.72 N ATOM 0 H LYS A 7 -17.296 6.190 -1.971 1.00 0.29 H new ATOM 0 HA LYS A 7 -17.857 5.174 -4.622 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.239 7.406 -3.415 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -15.885 6.891 -5.052 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.258 7.320 -5.684 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -18.581 7.872 -4.052 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.095 9.743 -4.272 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -16.361 9.091 -5.724 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.469 9.399 -6.963 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.264 9.971 -5.510 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -18.559 11.802 -6.902 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -17.715 11.834 -5.429 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -16.945 11.280 -6.837 1.00 1.72 H new ATOM 203 N ILE A 8 -16.033 3.486 -4.765 1.00 0.28 N ATOM 204 CA ILE A 8 -14.950 2.540 -4.950 1.00 0.28 C ATOM 205 C ILE A 8 -14.067 2.985 -6.103 1.00 0.31 C ATOM 206 O ILE A 8 -14.417 2.812 -7.271 1.00 0.34 O ATOM 207 CB ILE A 8 -15.461 1.110 -5.244 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.388 0.613 -4.131 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.289 0.156 -5.422 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.757 0.625 -2.754 1.00 0.51 C ATOM 0 H ILE A 8 -16.907 3.222 -5.220 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.387 2.516 -4.017 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.035 1.141 -6.170 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.284 1.233 -4.114 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.707 -0.403 -4.364 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.664 -0.846 -5.628 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.671 0.491 -6.255 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.692 0.139 -4.510 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.476 0.259 -2.021 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -14.877 -0.018 -2.751 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.463 1.643 -2.497 1.00 0.51 H new ATOM 222 N SER A 9 -12.947 3.586 -5.774 1.00 0.33 N ATOM 223 CA SER A 9 -11.982 3.975 -6.778 1.00 0.39 C ATOM 224 C SER A 9 -11.007 2.830 -6.994 1.00 0.37 C ATOM 225 O SER A 9 -10.524 2.238 -6.038 1.00 0.45 O ATOM 226 CB SER A 9 -11.246 5.248 -6.345 1.00 0.46 C ATOM 227 OG SER A 9 -10.197 5.578 -7.241 1.00 1.48 O ATOM 0 H SER A 9 -12.681 3.817 -4.817 1.00 0.33 H new ATOM 0 HA SER A 9 -12.493 4.191 -7.716 1.00 0.39 H new ATOM 0 HB2 SER A 9 -11.952 6.076 -6.291 1.00 0.46 H new ATOM 0 HB3 SER A 9 -10.839 5.110 -5.343 1.00 0.46 H new ATOM 0 HG SER A 9 -9.335 5.490 -6.782 1.00 1.48 H new ATOM 233 N ILE A 10 -10.770 2.472 -8.242 1.00 0.40 N ATOM 234 CA ILE A 10 -9.801 1.437 -8.556 1.00 0.42 C ATOM 235 C ILE A 10 -8.812 1.950 -9.596 1.00 0.50 C ATOM 236 O ILE A 10 -9.020 1.798 -10.804 1.00 0.53 O ATOM 237 CB ILE A 10 -10.486 0.150 -9.072 1.00 0.40 C ATOM 238 CG1 ILE A 10 -11.599 -0.280 -8.108 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.461 -0.966 -9.232 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.432 -1.441 -8.607 1.00 0.43 C ATOM 0 H ILE A 10 -11.233 2.881 -9.053 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.271 1.187 -7.637 1.00 0.42 H new ATOM 0 HB ILE A 10 -10.929 0.355 -10.046 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.152 -0.552 -7.152 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.254 0.571 -7.923 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -9.957 -1.866 -9.596 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -8.697 -0.659 -9.946 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -8.995 -1.173 -8.269 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.196 -1.684 -7.869 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -12.910 -1.168 -9.548 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -11.790 -2.308 -8.764 1.00 0.43 H new ATOM 252 N GLY A 11 -7.765 2.607 -9.116 1.00 0.59 N ATOM 253 CA GLY A 11 -6.744 3.145 -9.995 1.00 0.68 C ATOM 254 C GLY A 11 -7.180 4.423 -10.681 1.00 0.75 C ATOM 255 O GLY A 11 -6.686 5.509 -10.369 1.00 0.96 O ATOM 0 H GLY A 11 -7.603 2.778 -8.124 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -5.839 3.337 -9.419 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -6.490 2.400 -10.750 1.00 0.68 H new ATOM 259 N ASN A 12 -8.112 4.291 -11.611 1.00 0.75 N ATOM 260 CA ASN A 12 -8.601 5.425 -12.384 1.00 0.90 C ATOM 261 C ASN A 12 -10.123 5.402 -12.499 1.00 0.84 C ATOM 262 O ASN A 12 -10.739 6.403 -12.863 1.00 1.09 O ATOM 263 CB ASN A 12 -7.980 5.433 -13.786 1.00 1.09 C ATOM 264 CG ASN A 12 -8.309 4.185 -14.590 1.00 1.77 C ATOM 265 OD1 ASN A 12 -8.431 3.085 -14.045 1.00 2.62 O ATOM 266 ND2 ASN A 12 -8.465 4.347 -15.894 1.00 2.17 N ATOM 0 H ASN A 12 -8.550 3.402 -11.852 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.306 6.332 -11.856 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -8.332 6.311 -14.328 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -6.898 5.526 -13.697 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -8.694 3.547 -16.484 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.356 5.272 -16.310 1.00 2.17 H new ATOM 273 N VAL A 13 -10.727 4.263 -12.195 1.00 0.65 N ATOM 274 CA VAL A 13 -12.175 4.124 -12.281 1.00 0.61 C ATOM 275 C VAL A 13 -12.806 4.328 -10.903 1.00 0.53 C ATOM 276 O VAL A 13 -12.143 4.150 -9.884 1.00 0.50 O ATOM 277 CB VAL A 13 -12.569 2.737 -12.853 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.178 1.616 -11.903 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.056 2.674 -13.178 1.00 0.65 C ATOM 0 H VAL A 13 -10.239 3.422 -11.887 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.551 4.889 -12.961 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.015 2.599 -13.782 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.468 0.657 -12.333 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.100 1.632 -11.746 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.686 1.754 -10.949 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.300 1.689 -13.577 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.634 2.852 -12.271 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.299 3.436 -13.919 1.00 0.65 H new ATOM 289 N VAL A 14 -14.076 4.708 -10.876 1.00 0.51 N ATOM 290 CA VAL A 14 -14.793 4.881 -9.624 1.00 0.46 C ATOM 291 C VAL A 14 -16.222 4.358 -9.754 1.00 0.41 C ATOM 292 O VAL A 14 -16.963 4.742 -10.662 1.00 0.45 O ATOM 293 CB VAL A 14 -14.789 6.356 -9.141 1.00 0.53 C ATOM 294 CG1 VAL A 14 -15.260 7.299 -10.233 1.00 0.62 C ATOM 295 CG2 VAL A 14 -15.641 6.523 -7.889 1.00 0.50 C ATOM 0 H VAL A 14 -14.630 4.902 -11.710 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.269 4.298 -8.866 1.00 0.46 H new ATOM 0 HB VAL A 14 -13.759 6.615 -8.894 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -15.245 8.323 -9.861 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -14.598 7.216 -11.095 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -16.276 7.035 -10.528 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -15.621 7.566 -7.572 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -16.668 6.229 -8.106 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.244 5.894 -7.092 1.00 0.50 H new ATOM 305 N LYS A 15 -16.583 3.460 -8.853 1.00 0.39 N ATOM 306 CA LYS A 15 -17.890 2.822 -8.858 1.00 0.41 C ATOM 307 C LYS A 15 -18.567 3.015 -7.509 1.00 0.35 C ATOM 308 O LYS A 15 -17.901 3.075 -6.485 1.00 0.31 O ATOM 309 CB LYS A 15 -17.762 1.333 -9.183 1.00 0.50 C ATOM 310 CG LYS A 15 -17.272 1.054 -10.594 1.00 0.67 C ATOM 311 CD LYS A 15 -18.231 1.619 -11.629 1.00 0.80 C ATOM 312 CE LYS A 15 -17.739 1.380 -13.044 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.684 1.926 -14.051 1.00 1.28 N ATOM 0 H LYS A 15 -15.976 3.151 -8.094 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.503 3.287 -9.630 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.075 0.873 -8.472 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.732 0.855 -9.044 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.284 1.492 -10.732 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.167 -0.021 -10.740 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.212 1.161 -11.503 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.355 2.689 -11.463 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -16.761 1.844 -13.173 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.609 0.310 -13.209 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -18.316 1.745 -15.007 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -19.610 1.465 -13.944 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -18.789 2.951 -13.909 1.00 1.28 H new ATOM 327 N THR A 16 -19.879 3.113 -7.506 1.00 0.38 N ATOM 328 CA THR A 16 -20.604 3.404 -6.284 1.00 0.37 C ATOM 329 C THR A 16 -21.152 2.119 -5.673 1.00 0.35 C ATOM 330 O THR A 16 -21.958 1.419 -6.289 1.00 0.39 O ATOM 331 CB THR A 16 -21.754 4.392 -6.547 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.245 5.557 -7.214 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.428 4.802 -5.245 1.00 0.45 C ATOM 0 H THR A 16 -20.466 2.996 -8.332 1.00 0.38 H new ATOM 0 HA THR A 16 -19.909 3.864 -5.582 1.00 0.37 H new ATOM 0 HB THR A 16 -22.494 3.899 -7.178 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.979 6.184 -7.382 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.237 5.500 -5.458 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.832 3.919 -4.751 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.698 5.281 -4.592 1.00 0.45 H new ATOM 341 N MET A 17 -20.693 1.804 -4.470 1.00 0.31 N ATOM 342 CA MET A 17 -21.080 0.578 -3.793 1.00 0.32 C ATOM 343 C MET A 17 -21.497 0.873 -2.368 1.00 0.32 C ATOM 344 O MET A 17 -21.004 1.815 -1.749 1.00 0.31 O ATOM 345 CB MET A 17 -19.926 -0.429 -3.793 1.00 0.34 C ATOM 346 CG MET A 17 -19.985 -1.443 -4.922 1.00 0.44 C ATOM 347 SD MET A 17 -21.200 -2.747 -4.628 1.00 1.04 S ATOM 348 CE MET A 17 -20.545 -3.516 -3.141 1.00 0.40 C ATOM 0 H MET A 17 -20.046 2.388 -3.940 1.00 0.31 H new ATOM 0 HA MET A 17 -21.923 0.146 -4.332 1.00 0.32 H new ATOM 0 HB2 MET A 17 -18.984 0.115 -3.857 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.923 -0.961 -2.842 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.227 -0.930 -5.853 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.001 -1.892 -5.053 1.00 0.44 H new ATOM 0 HE1 MET A 17 -21.011 -4.492 -3.001 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.467 -3.639 -3.240 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.760 -2.884 -2.279 1.00 0.40 H new ATOM 358 N GLN A 18 -22.409 0.075 -1.856 1.00 0.36 N ATOM 359 CA GLN A 18 -22.835 0.207 -0.481 1.00 0.37 C ATOM 360 C GLN A 18 -22.464 -1.025 0.315 1.00 0.35 C ATOM 361 O GLN A 18 -22.576 -2.154 -0.170 1.00 0.38 O ATOM 362 CB GLN A 18 -24.333 0.467 -0.414 1.00 0.44 C ATOM 363 CG GLN A 18 -24.687 1.875 -0.837 1.00 0.49 C ATOM 364 CD GLN A 18 -26.089 1.987 -1.388 1.00 0.59 C ATOM 365 OE1 GLN A 18 -26.997 1.262 -0.977 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.267 2.885 -2.341 1.00 0.60 N ATOM 0 H GLN A 18 -22.870 -0.673 -2.373 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.319 1.060 -0.039 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.853 -0.245 -1.055 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.685 0.296 0.603 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.583 2.543 0.018 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -23.977 2.212 -1.592 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.485 3.463 -2.649 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.186 3.000 -2.768 1.00 0.60 H new ATOM 375 N PHE A 19 -22.014 -0.799 1.534 1.00 0.34 N ATOM 376 CA PHE A 19 -21.633 -1.867 2.431 1.00 0.33 C ATOM 377 C PHE A 19 -22.290 -1.608 3.770 1.00 0.37 C ATOM 378 O PHE A 19 -22.680 -0.476 4.057 1.00 0.40 O ATOM 379 CB PHE A 19 -20.113 -1.916 2.628 1.00 0.29 C ATOM 380 CG PHE A 19 -19.320 -2.074 1.363 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.127 -3.327 0.806 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.785 -0.973 0.726 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.410 -3.476 -0.367 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.069 -1.112 -0.448 1.00 0.31 C ATOM 385 CZ PHE A 19 -17.824 -2.368 -0.960 1.00 0.31 C ATOM 0 H PHE A 19 -21.903 0.135 1.929 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.951 -2.819 2.005 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.796 -1.001 3.127 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.874 -2.743 3.296 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.541 -4.197 1.293 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -18.928 0.010 1.150 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.307 -4.451 -0.819 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.702 -0.237 -0.964 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.179 -2.488 -1.818 1.00 0.31 H new ATOM 395 N GLU A 20 -22.433 -2.632 4.576 1.00 0.39 N ATOM 396 CA GLU A 20 -22.929 -2.445 5.923 1.00 0.43 C ATOM 397 C GLU A 20 -21.839 -1.814 6.779 1.00 0.44 C ATOM 398 O GLU A 20 -20.660 -2.134 6.628 1.00 0.47 O ATOM 399 CB GLU A 20 -23.373 -3.768 6.541 1.00 0.50 C ATOM 400 CG GLU A 20 -24.494 -4.461 5.793 1.00 0.61 C ATOM 401 CD GLU A 20 -24.914 -5.747 6.469 1.00 0.90 C ATOM 402 OE1 GLU A 20 -25.702 -5.685 7.432 1.00 1.42 O ATOM 403 OE2 GLU A 20 -24.450 -6.828 6.053 1.00 1.06 O ATOM 0 H GLU A 20 -22.216 -3.597 4.328 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.797 -1.787 5.882 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.515 -4.439 6.589 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.694 -3.587 7.567 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.351 -3.791 5.722 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.172 -4.675 4.774 1.00 0.61 H new ATOM 410 N PRO A 21 -22.221 -0.879 7.653 1.00 0.50 N ATOM 411 CA PRO A 21 -21.314 -0.248 8.606 1.00 0.53 C ATOM 412 C PRO A 21 -20.413 -1.266 9.309 1.00 0.53 C ATOM 413 O PRO A 21 -19.216 -1.031 9.489 1.00 0.65 O ATOM 414 CB PRO A 21 -22.256 0.442 9.612 1.00 0.57 C ATOM 415 CG PRO A 21 -23.656 0.152 9.160 1.00 0.61 C ATOM 416 CD PRO A 21 -23.567 -0.334 7.748 1.00 0.62 C ATOM 0 HA PRO A 21 -20.628 0.444 8.117 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.089 0.064 10.621 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.073 1.516 9.640 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.119 -0.600 9.798 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.275 1.047 9.222 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.321 -1.092 7.538 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.722 0.476 7.035 1.00 0.62 H new ATOM 424 N SER A 22 -20.984 -2.409 9.671 1.00 0.50 N ATOM 425 CA SER A 22 -20.242 -3.444 10.373 1.00 0.61 C ATOM 426 C SER A 22 -19.648 -4.491 9.421 1.00 0.84 C ATOM 427 O SER A 22 -19.174 -5.536 9.872 1.00 1.64 O ATOM 428 CB SER A 22 -21.148 -4.120 11.405 1.00 0.68 C ATOM 429 OG SER A 22 -21.545 -3.199 12.409 1.00 1.32 O ATOM 0 H SER A 22 -21.960 -2.641 9.489 1.00 0.50 H new ATOM 0 HA SER A 22 -19.404 -2.961 10.876 1.00 0.61 H new ATOM 0 HB2 SER A 22 -22.030 -4.527 10.910 1.00 0.68 H new ATOM 0 HB3 SER A 22 -20.623 -4.959 11.862 1.00 0.68 H new ATOM 0 HG SER A 22 -22.125 -3.651 13.057 1.00 1.32 H new ATOM 435 N THR A 23 -19.647 -4.221 8.116 1.00 0.41 N ATOM 436 CA THR A 23 -19.014 -5.119 7.173 1.00 0.49 C ATOM 437 C THR A 23 -17.514 -4.971 7.273 1.00 0.63 C ATOM 438 O THR A 23 -16.926 -3.985 6.827 1.00 1.47 O ATOM 439 CB THR A 23 -19.446 -4.883 5.715 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.865 -5.016 5.596 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.776 -5.878 4.785 1.00 0.50 C ATOM 0 H THR A 23 -20.075 -3.394 7.699 1.00 0.41 H new ATOM 0 HA THR A 23 -19.332 -6.127 7.439 1.00 0.49 H new ATOM 0 HB THR A 23 -19.144 -3.874 5.434 1.00 0.51 H new ATOM 0 HG1 THR A 23 -21.089 -5.338 4.698 1.00 0.68 H new ATOM 0 HG21 THR A 23 -19.097 -5.691 3.760 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.694 -5.767 4.852 1.00 0.50 H new ATOM 0 HG23 THR A 23 -19.056 -6.891 5.074 1.00 0.50 H new ATOM 449 N MET A 24 -16.922 -5.935 7.924 1.00 0.54 N ATOM 450 CA MET A 24 -15.485 -5.998 8.069 1.00 0.48 C ATOM 451 C MET A 24 -14.817 -6.013 6.698 1.00 0.43 C ATOM 452 O MET A 24 -15.341 -6.609 5.761 1.00 0.47 O ATOM 453 CB MET A 24 -15.118 -7.240 8.869 1.00 0.60 C ATOM 454 CG MET A 24 -14.008 -7.009 9.864 1.00 0.57 C ATOM 455 SD MET A 24 -14.036 -8.214 11.196 1.00 0.83 S ATOM 456 CE MET A 24 -13.064 -7.341 12.408 1.00 0.71 C ATOM 0 H MET A 24 -17.421 -6.704 8.372 1.00 0.54 H new ATOM 0 HA MET A 24 -15.130 -5.116 8.603 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.002 -7.595 9.399 1.00 0.60 H new ATOM 0 HB3 MET A 24 -14.819 -8.031 8.181 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.047 -7.057 9.352 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.098 -6.006 10.281 1.00 0.57 H new ATOM 0 HE1 MET A 24 -13.520 -7.456 13.391 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.053 -7.749 12.426 1.00 0.71 H new ATOM 0 HE3 MET A 24 -13.024 -6.283 12.149 1.00 0.71 H new ATOM 466 N VAL A 25 -13.683 -5.322 6.597 1.00 0.40 N ATOM 467 CA VAL A 25 -12.932 -5.190 5.342 1.00 0.38 C ATOM 468 C VAL A 25 -12.925 -6.471 4.504 1.00 0.39 C ATOM 469 O VAL A 25 -13.247 -6.435 3.314 1.00 0.39 O ATOM 470 CB VAL A 25 -11.482 -4.748 5.616 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.580 -4.991 4.414 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.466 -3.282 5.993 1.00 0.40 C ATOM 0 H VAL A 25 -13.255 -4.835 7.384 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.451 -4.426 4.763 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.094 -5.347 6.440 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.566 -4.666 4.648 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.574 -6.054 4.173 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.953 -4.427 3.559 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.441 -2.967 6.187 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.878 -2.691 5.175 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -12.068 -3.130 6.889 1.00 0.40 H new ATOM 482 N TYR A 26 -12.573 -7.594 5.126 1.00 0.42 N ATOM 483 CA TYR A 26 -12.484 -8.861 4.404 1.00 0.45 C ATOM 484 C TYR A 26 -13.813 -9.220 3.730 1.00 0.43 C ATOM 485 O TYR A 26 -13.833 -9.790 2.639 1.00 0.42 O ATOM 486 CB TYR A 26 -12.008 -10.008 5.316 1.00 0.52 C ATOM 487 CG TYR A 26 -12.950 -10.385 6.445 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.041 -11.222 6.222 1.00 0.70 C ATOM 489 CD2 TYR A 26 -12.732 -9.928 7.738 1.00 0.58 C ATOM 490 CE1 TYR A 26 -14.885 -11.583 7.254 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.574 -10.286 8.773 1.00 0.65 C ATOM 492 CZ TYR A 26 -14.649 -11.113 8.526 1.00 0.72 C ATOM 493 OH TYR A 26 -15.488 -11.474 9.560 1.00 0.83 O ATOM 0 H TYR A 26 -12.347 -7.653 6.119 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.736 -8.726 3.623 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -11.837 -10.891 4.700 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.046 -9.730 5.747 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.230 -11.595 5.226 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -11.890 -9.282 7.938 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -15.727 -12.232 7.064 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.391 -9.919 9.772 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.180 -11.057 10.392 1.00 0.83 H new ATOM 503 N ASP A 27 -14.921 -8.856 4.367 1.00 0.43 N ATOM 504 CA ASP A 27 -16.235 -9.217 3.866 1.00 0.44 C ATOM 505 C ASP A 27 -16.630 -8.293 2.721 1.00 0.39 C ATOM 506 O ASP A 27 -17.231 -8.721 1.740 1.00 0.40 O ATOM 507 CB ASP A 27 -17.268 -9.164 4.989 1.00 0.50 C ATOM 508 CG ASP A 27 -18.468 -10.045 4.712 1.00 0.91 C ATOM 509 OD1 ASP A 27 -18.304 -11.284 4.707 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.577 -9.511 4.515 1.00 1.48 O ATOM 0 H ASP A 27 -14.932 -8.312 5.230 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.200 -10.239 3.488 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -16.801 -9.475 5.924 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.600 -8.135 5.125 1.00 0.50 H new ATOM 515 N ALA A 28 -16.274 -7.019 2.847 1.00 0.37 N ATOM 516 CA ALA A 28 -16.548 -6.038 1.804 1.00 0.33 C ATOM 517 C ALA A 28 -15.792 -6.392 0.532 1.00 0.32 C ATOM 518 O ALA A 28 -16.336 -6.326 -0.572 1.00 0.31 O ATOM 519 CB ALA A 28 -16.165 -4.644 2.281 1.00 0.33 C ATOM 0 H ALA A 28 -15.794 -6.641 3.664 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.616 -6.050 1.584 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -16.374 -3.920 1.494 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.744 -4.392 3.169 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -15.102 -4.621 2.522 1.00 0.33 H new ATOM 525 N CYS A 29 -14.539 -6.783 0.713 1.00 0.35 N ATOM 526 CA CYS A 29 -13.677 -7.197 -0.386 1.00 0.37 C ATOM 527 C CYS A 29 -14.295 -8.334 -1.211 1.00 0.38 C ATOM 528 O CYS A 29 -14.003 -8.473 -2.398 1.00 0.40 O ATOM 529 CB CYS A 29 -12.322 -7.628 0.168 1.00 0.45 C ATOM 530 SG CYS A 29 -11.388 -6.298 0.955 1.00 1.37 S ATOM 0 H CYS A 29 -14.090 -6.822 1.628 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.554 -6.345 -1.055 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -12.476 -8.427 0.893 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -11.726 -8.045 -0.644 1.00 0.45 H new ATOM 0 HG CYS A 29 -11.903 -6.037 2.120 1.00 1.37 H new ATOM 536 N ARG A 30 -15.153 -9.137 -0.589 1.00 0.40 N ATOM 537 CA ARG A 30 -15.754 -10.269 -1.288 1.00 0.44 C ATOM 538 C ARG A 30 -16.904 -9.801 -2.185 1.00 0.42 C ATOM 539 O ARG A 30 -17.091 -10.312 -3.288 1.00 0.45 O ATOM 540 CB ARG A 30 -16.232 -11.351 -0.304 1.00 0.49 C ATOM 541 CG ARG A 30 -17.670 -11.195 0.179 1.00 0.53 C ATOM 542 CD ARG A 30 -18.087 -12.352 1.073 1.00 0.71 C ATOM 543 NE ARG A 30 -17.443 -12.307 2.383 1.00 1.12 N ATOM 544 CZ ARG A 30 -16.462 -13.123 2.767 1.00 1.68 C ATOM 545 NH1 ARG A 30 -16.000 -14.055 1.943 1.00 1.94 N ATOM 546 NH2 ARG A 30 -15.958 -13.010 3.989 1.00 2.41 N ATOM 0 H ARG A 30 -15.445 -9.029 0.382 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.985 -10.716 -1.918 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.129 -12.326 -0.781 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.571 -11.349 0.563 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -17.772 -10.257 0.725 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -18.339 -11.138 -0.680 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -19.169 -12.335 1.203 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.840 -13.293 0.582 1.00 0.71 H new ATOM 0 HE ARG A 30 -17.766 -11.604 3.048 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -16.396 -14.151 1.008 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -15.249 -14.676 2.245 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -16.322 -12.302 4.627 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -15.207 -13.631 4.290 1.00 2.41 H new ATOM 560 N MET A 31 -17.664 -8.819 -1.714 1.00 0.39 N ATOM 561 CA MET A 31 -18.813 -8.319 -2.457 1.00 0.40 C ATOM 562 C MET A 31 -18.398 -7.337 -3.543 1.00 0.38 C ATOM 563 O MET A 31 -19.024 -7.270 -4.598 1.00 0.44 O ATOM 564 CB MET A 31 -19.797 -7.652 -1.507 1.00 0.39 C ATOM 565 CG MET A 31 -20.219 -8.556 -0.366 1.00 0.43 C ATOM 566 SD MET A 31 -21.297 -7.726 0.808 1.00 0.45 S ATOM 567 CE MET A 31 -20.156 -6.508 1.446 1.00 0.39 C ATOM 0 H MET A 31 -17.505 -8.354 -0.821 1.00 0.39 H new ATOM 0 HA MET A 31 -19.290 -9.171 -2.941 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.345 -6.748 -1.100 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.681 -7.343 -2.065 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.731 -9.430 -0.769 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.332 -8.918 0.154 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.698 -5.787 2.058 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.398 -7.003 2.053 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.675 -5.990 0.616 1.00 0.39 H new ATOM 577 N ILE A 32 -17.349 -6.573 -3.287 1.00 0.34 N ATOM 578 CA ILE A 32 -16.887 -5.585 -4.249 1.00 0.33 C ATOM 579 C ILE A 32 -16.352 -6.296 -5.506 1.00 0.36 C ATOM 580 O ILE A 32 -16.686 -5.924 -6.629 1.00 0.40 O ATOM 581 CB ILE A 32 -15.842 -4.630 -3.596 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.786 -3.274 -4.318 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.457 -5.259 -3.525 1.00 0.30 C ATOM 584 CD1 ILE A 32 -15.132 -3.301 -5.682 1.00 0.48 C ATOM 0 H ILE A 32 -16.804 -6.617 -2.426 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.720 -4.956 -4.563 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.177 -4.456 -2.573 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -16.802 -2.895 -4.427 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -15.248 -2.566 -3.688 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.762 -4.558 -3.063 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.502 -6.171 -2.930 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.114 -5.499 -4.532 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -15.141 -2.298 -6.110 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.102 -3.645 -5.585 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -15.681 -3.979 -6.335 1.00 0.48 H new ATOM 596 N ARG A 33 -15.562 -7.348 -5.295 1.00 0.36 N ATOM 597 CA ARG A 33 -15.103 -8.218 -6.382 1.00 0.41 C ATOM 598 C ARG A 33 -16.273 -8.923 -7.064 1.00 0.45 C ATOM 599 O ARG A 33 -16.207 -9.270 -8.242 1.00 0.49 O ATOM 600 CB ARG A 33 -14.119 -9.262 -5.855 1.00 0.45 C ATOM 601 CG ARG A 33 -12.733 -8.714 -5.572 1.00 1.01 C ATOM 602 CD ARG A 33 -11.811 -9.794 -5.032 1.00 0.94 C ATOM 603 NE ARG A 33 -12.157 -10.174 -3.665 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.931 -11.379 -3.142 1.00 0.84 C ATOM 605 NH1 ARG A 33 -11.459 -12.363 -3.901 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.204 -11.605 -1.863 1.00 1.22 N ATOM 0 H ARG A 33 -15.223 -7.622 -4.373 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.603 -7.585 -7.116 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.521 -9.696 -4.940 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -14.038 -10.070 -6.582 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.311 -8.297 -6.486 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.802 -7.899 -4.852 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.863 -10.671 -5.677 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.781 -9.439 -5.060 1.00 0.94 H new ATOM 0 HE ARG A 33 -12.600 -9.472 -3.072 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.268 -12.198 -4.889 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -11.288 -13.283 -3.495 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.586 -10.858 -1.283 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -12.032 -12.526 -1.460 1.00 1.22 H new ATOM 620 N GLU A 34 -17.334 -9.134 -6.303 1.00 0.46 N ATOM 621 CA GLU A 34 -18.491 -9.884 -6.770 1.00 0.51 C ATOM 622 C GLU A 34 -19.189 -9.166 -7.929 1.00 0.50 C ATOM 623 O GLU A 34 -19.272 -9.696 -9.039 1.00 0.54 O ATOM 624 CB GLU A 34 -19.454 -10.080 -5.599 1.00 0.55 C ATOM 625 CG GLU A 34 -20.821 -10.616 -5.974 1.00 0.90 C ATOM 626 CD GLU A 34 -21.772 -10.584 -4.799 1.00 1.51 C ATOM 627 OE1 GLU A 34 -22.330 -9.507 -4.509 1.00 2.40 O ATOM 628 OE2 GLU A 34 -21.948 -11.630 -4.144 1.00 1.50 O ATOM 0 H GLU A 34 -17.419 -8.792 -5.346 1.00 0.46 H new ATOM 0 HA GLU A 34 -18.162 -10.853 -7.144 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.997 -10.763 -4.883 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.582 -9.124 -5.090 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.232 -10.025 -6.792 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -20.724 -11.639 -6.337 1.00 0.90 H new ATOM 635 N ARG A 35 -19.674 -7.957 -7.676 1.00 0.51 N ATOM 636 CA ARG A 35 -20.386 -7.199 -8.702 1.00 0.55 C ATOM 637 C ARG A 35 -19.444 -6.447 -9.642 1.00 0.49 C ATOM 638 O ARG A 35 -19.722 -6.336 -10.835 1.00 0.54 O ATOM 639 CB ARG A 35 -21.398 -6.228 -8.079 1.00 0.72 C ATOM 640 CG ARG A 35 -20.920 -5.572 -6.798 1.00 0.77 C ATOM 641 CD ARG A 35 -21.634 -6.152 -5.585 1.00 0.79 C ATOM 642 NE ARG A 35 -23.009 -5.667 -5.470 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.879 -6.098 -4.560 1.00 1.46 C ATOM 644 NH1 ARG A 35 -23.589 -7.147 -3.802 1.00 1.79 N ATOM 645 NH2 ARG A 35 -25.060 -5.504 -4.438 1.00 1.90 N ATOM 0 H ARG A 35 -19.590 -7.482 -6.778 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.925 -7.934 -9.300 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.635 -5.451 -8.806 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.324 -6.766 -7.875 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.844 -5.714 -6.693 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.097 -4.498 -6.848 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -21.639 -7.240 -5.654 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -21.082 -5.892 -4.682 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.321 -4.953 -6.129 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -22.696 -7.627 -3.915 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.259 -7.474 -3.106 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -25.300 -4.718 -5.042 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -25.727 -5.834 -3.741 1.00 1.90 H new ATOM 659 N ILE A 36 -18.336 -5.934 -9.117 1.00 0.45 N ATOM 660 CA ILE A 36 -17.442 -5.097 -9.911 1.00 0.43 C ATOM 661 C ILE A 36 -16.216 -5.882 -10.381 1.00 0.45 C ATOM 662 O ILE A 36 -15.341 -6.223 -9.584 1.00 0.44 O ATOM 663 CB ILE A 36 -16.984 -3.853 -9.117 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.199 -3.110 -8.556 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.162 -2.925 -10.002 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.841 -1.912 -7.704 1.00 0.44 C ATOM 0 H ILE A 36 -18.037 -6.081 -8.153 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.006 -4.770 -10.784 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.358 -4.183 -8.288 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.826 -2.781 -9.384 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.794 -3.803 -7.961 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.849 -2.055 -9.425 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.282 -3.455 -10.366 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.766 -2.600 -10.849 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.753 -1.437 -7.342 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.239 -2.236 -6.855 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.272 -1.198 -8.300 1.00 0.44 H new ATOM 678 N PRO A 37 -16.131 -6.168 -11.693 1.00 0.53 N ATOM 679 CA PRO A 37 -15.026 -6.937 -12.277 1.00 0.60 C ATOM 680 C PRO A 37 -13.744 -6.116 -12.394 1.00 0.61 C ATOM 681 O PRO A 37 -12.672 -6.648 -12.680 1.00 0.71 O ATOM 682 CB PRO A 37 -15.539 -7.319 -13.676 1.00 0.73 C ATOM 683 CG PRO A 37 -16.971 -6.888 -13.719 1.00 0.76 C ATOM 684 CD PRO A 37 -17.107 -5.784 -12.715 1.00 0.60 C ATOM 0 HA PRO A 37 -14.766 -7.795 -11.657 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.958 -6.823 -14.454 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.449 -8.392 -13.846 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.244 -6.543 -14.716 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.635 -7.718 -13.477 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -16.880 -4.810 -13.149 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.117 -5.725 -12.310 1.00 0.60 H new ATOM 692 N GLU A 38 -13.862 -4.816 -12.166 1.00 0.57 N ATOM 693 CA GLU A 38 -12.717 -3.916 -12.226 1.00 0.61 C ATOM 694 C GLU A 38 -11.840 -4.068 -10.988 1.00 0.54 C ATOM 695 O GLU A 38 -10.729 -3.541 -10.933 1.00 0.62 O ATOM 696 CB GLU A 38 -13.194 -2.466 -12.346 1.00 0.75 C ATOM 697 CG GLU A 38 -13.878 -2.154 -13.666 1.00 0.99 C ATOM 698 CD GLU A 38 -12.910 -2.141 -14.830 1.00 1.67 C ATOM 699 OE1 GLU A 38 -12.652 -3.214 -15.413 1.00 2.04 O ATOM 700 OE2 GLU A 38 -12.396 -1.055 -15.162 1.00 2.46 O ATOM 0 H GLU A 38 -14.744 -4.358 -11.936 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.126 -4.176 -13.104 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.884 -2.251 -11.530 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.339 -1.801 -12.224 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -14.656 -2.894 -13.853 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -14.371 -1.184 -13.596 1.00 0.99 H new ATOM 707 N ALA A 39 -12.349 -4.795 -10.003 1.00 0.47 N ATOM 708 CA ALA A 39 -11.658 -4.965 -8.735 1.00 0.47 C ATOM 709 C ALA A 39 -10.435 -5.867 -8.875 1.00 0.49 C ATOM 710 O ALA A 39 -9.338 -5.517 -8.442 1.00 0.55 O ATOM 711 CB ALA A 39 -12.617 -5.525 -7.696 1.00 0.47 C ATOM 0 H ALA A 39 -13.245 -5.279 -10.060 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.304 -3.987 -8.409 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.094 -5.650 -6.748 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.451 -4.836 -7.562 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -12.995 -6.491 -8.032 1.00 0.47 H new ATOM 717 N LEU A 40 -10.619 -7.022 -9.493 1.00 0.50 N ATOM 718 CA LEU A 40 -9.552 -8.006 -9.580 1.00 0.59 C ATOM 719 C LEU A 40 -8.727 -7.854 -10.862 1.00 0.67 C ATOM 720 O LEU A 40 -8.788 -8.682 -11.768 1.00 0.99 O ATOM 721 CB LEU A 40 -10.076 -9.455 -9.411 1.00 0.65 C ATOM 722 CG LEU A 40 -11.459 -9.805 -10.007 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.590 -9.230 -9.167 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.578 -9.327 -11.440 1.00 1.19 C ATOM 0 H LEU A 40 -11.492 -7.301 -9.940 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.883 -7.807 -8.743 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.342 -10.128 -9.854 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.108 -9.676 -8.344 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.545 -10.892 -9.997 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.547 -9.495 -9.615 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.537 -9.637 -8.157 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.497 -8.145 -9.126 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.562 -9.588 -11.830 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.450 -8.245 -11.475 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.808 -9.803 -12.048 1.00 1.19 H new ATOM 736 N ALA A 41 -7.939 -6.789 -10.923 1.00 0.65 N ATOM 737 CA ALA A 41 -7.028 -6.571 -12.043 1.00 0.74 C ATOM 738 C ALA A 41 -5.779 -7.447 -11.905 1.00 0.81 C ATOM 739 O ALA A 41 -4.786 -7.270 -12.615 1.00 1.15 O ATOM 740 CB ALA A 41 -6.646 -5.100 -12.130 1.00 0.92 C ATOM 0 H ALA A 41 -7.911 -6.060 -10.210 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.537 -6.853 -12.964 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -5.966 -4.950 -12.969 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.543 -4.499 -12.278 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.154 -4.797 -11.206 1.00 0.92 H new ATOM 746 N GLY A 42 -5.853 -8.395 -10.985 1.00 0.75 N ATOM 747 CA GLY A 42 -4.763 -9.302 -10.715 1.00 0.86 C ATOM 748 C GLY A 42 -5.133 -10.229 -9.578 1.00 0.80 C ATOM 749 O GLY A 42 -6.317 -10.514 -9.394 1.00 0.82 O ATOM 0 H GLY A 42 -6.677 -8.553 -10.405 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.532 -9.882 -11.608 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.865 -8.739 -10.459 1.00 0.86 H new ATOM 753 N PRO A 43 -4.164 -10.703 -8.787 1.00 0.83 N ATOM 754 CA PRO A 43 -4.445 -11.536 -7.616 1.00 0.82 C ATOM 755 C PRO A 43 -5.242 -10.763 -6.567 1.00 0.72 C ATOM 756 O PRO A 43 -4.742 -9.793 -5.995 1.00 0.66 O ATOM 757 CB PRO A 43 -3.059 -11.899 -7.072 1.00 0.94 C ATOM 758 CG PRO A 43 -2.104 -11.589 -8.176 1.00 1.09 C ATOM 759 CD PRO A 43 -2.723 -10.470 -8.962 1.00 0.98 C ATOM 0 HA PRO A 43 -5.045 -12.411 -7.869 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.825 -11.322 -6.177 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -3.010 -12.952 -6.794 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.132 -11.295 -7.779 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.940 -12.463 -8.806 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.422 -9.494 -8.581 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.433 -10.505 -10.012 1.00 0.98 H new ATOM 767 N PRO A 44 -6.488 -11.188 -6.296 1.00 0.76 N ATOM 768 CA PRO A 44 -7.392 -10.482 -5.375 1.00 0.73 C ATOM 769 C PRO A 44 -6.853 -10.436 -3.950 1.00 0.69 C ATOM 770 O PRO A 44 -7.293 -9.631 -3.131 1.00 0.74 O ATOM 771 CB PRO A 44 -8.680 -11.305 -5.427 1.00 0.93 C ATOM 772 CG PRO A 44 -8.266 -12.643 -5.928 1.00 0.99 C ATOM 773 CD PRO A 44 -7.117 -12.394 -6.860 1.00 0.89 C ATOM 0 HA PRO A 44 -7.525 -9.440 -5.665 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -9.141 -11.378 -4.442 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.414 -10.846 -6.089 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.968 -13.293 -5.106 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.088 -13.138 -6.445 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.426 -13.237 -6.883 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.455 -12.232 -7.883 1.00 0.89 H new ATOM 781 N ASN A 45 -5.886 -11.297 -3.675 1.00 0.72 N ATOM 782 CA ASN A 45 -5.267 -11.374 -2.360 1.00 0.77 C ATOM 783 C ASN A 45 -4.347 -10.180 -2.147 1.00 0.71 C ATOM 784 O ASN A 45 -4.030 -9.813 -1.017 1.00 0.85 O ATOM 785 CB ASN A 45 -4.471 -12.675 -2.231 1.00 0.87 C ATOM 786 CG ASN A 45 -5.314 -13.907 -2.506 1.00 1.41 C ATOM 787 OD1 ASN A 45 -6.517 -13.931 -2.232 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.694 -14.936 -3.065 1.00 1.37 N ATOM 0 H ASN A 45 -5.509 -11.959 -4.353 1.00 0.72 H new ATOM 0 HA ASN A 45 -6.049 -11.360 -1.600 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.631 -12.652 -2.925 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.053 -12.742 -1.227 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -5.213 -15.786 -3.284 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.698 -14.878 -3.276 1.00 1.37 H new ATOM 795 N ASP A 46 -3.938 -9.567 -3.251 1.00 0.61 N ATOM 796 CA ASP A 46 -3.036 -8.424 -3.208 1.00 0.68 C ATOM 797 C ASP A 46 -3.808 -7.124 -3.328 1.00 0.57 C ATOM 798 O ASP A 46 -3.219 -6.059 -3.472 1.00 0.61 O ATOM 799 CB ASP A 46 -2.005 -8.502 -4.334 1.00 0.83 C ATOM 800 CG ASP A 46 -1.055 -9.669 -4.177 1.00 1.22 C ATOM 801 OD1 ASP A 46 -0.336 -9.720 -3.161 1.00 1.90 O ATOM 802 OD2 ASP A 46 -1.041 -10.550 -5.057 1.00 1.38 O ATOM 0 H ASP A 46 -4.219 -9.845 -4.191 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.521 -8.448 -2.248 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.523 -8.586 -5.290 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.433 -7.575 -4.362 1.00 0.83 H new ATOM 807 N PHE A 47 -5.126 -7.211 -3.281 1.00 0.53 N ATOM 808 CA PHE A 47 -5.969 -6.030 -3.380 1.00 0.47 C ATOM 809 C PHE A 47 -6.645 -5.750 -2.044 1.00 0.44 C ATOM 810 O PHE A 47 -7.278 -6.630 -1.462 1.00 0.48 O ATOM 811 CB PHE A 47 -7.017 -6.201 -4.483 1.00 0.49 C ATOM 812 CG PHE A 47 -6.474 -6.050 -5.880 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.317 -4.793 -6.437 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.134 -7.157 -6.639 1.00 0.79 C ATOM 815 CE1 PHE A 47 -5.832 -4.643 -7.722 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.647 -7.013 -7.922 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.496 -5.754 -8.465 1.00 0.63 C ATOM 0 H PHE A 47 -5.637 -8.087 -3.175 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.338 -5.179 -3.638 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.472 -7.187 -4.387 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.810 -5.468 -4.332 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.577 -3.918 -5.860 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.251 -8.146 -6.221 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.716 -3.656 -8.144 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.384 -7.886 -8.501 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.116 -5.639 -9.469 1.00 0.63 H new ATOM 827 N GLY A 48 -6.488 -4.528 -1.557 1.00 0.42 N ATOM 828 CA GLY A 48 -7.039 -4.168 -0.267 1.00 0.41 C ATOM 829 C GLY A 48 -7.862 -2.900 -0.309 1.00 0.35 C ATOM 830 O GLY A 48 -8.005 -2.279 -1.364 1.00 0.34 O ATOM 0 H GLY A 48 -5.988 -3.778 -2.033 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.660 -4.986 0.098 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.225 -4.043 0.447 1.00 0.41 H new ATOM 834 N LEU A 49 -8.382 -2.510 0.844 1.00 0.31 N ATOM 835 CA LEU A 49 -9.266 -1.360 0.936 1.00 0.28 C ATOM 836 C LEU A 49 -8.519 -0.129 1.444 1.00 0.29 C ATOM 837 O LEU A 49 -8.189 -0.021 2.621 1.00 0.31 O ATOM 838 CB LEU A 49 -10.457 -1.679 1.848 1.00 0.26 C ATOM 839 CG LEU A 49 -11.312 -2.869 1.400 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.518 -3.045 2.309 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.761 -2.690 -0.039 1.00 0.25 C ATOM 0 H LEU A 49 -8.205 -2.976 1.734 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.637 -1.137 -0.064 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.084 -1.876 2.853 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.094 -0.797 1.912 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.699 -3.768 1.467 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.108 -3.896 1.970 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.181 -3.221 3.330 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.130 -2.144 2.280 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.367 -3.545 -0.340 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.352 -1.778 -0.125 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -10.887 -2.619 -0.687 1.00 0.25 H new ATOM 853 N PHE A 50 -8.236 0.773 0.528 1.00 0.29 N ATOM 854 CA PHE A 50 -7.579 2.030 0.849 1.00 0.30 C ATOM 855 C PHE A 50 -8.617 3.125 1.037 1.00 0.30 C ATOM 856 O PHE A 50 -9.494 3.314 0.203 1.00 0.31 O ATOM 857 CB PHE A 50 -6.596 2.413 -0.262 1.00 0.34 C ATOM 858 CG PHE A 50 -5.810 3.667 0.012 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.622 3.614 0.722 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.258 4.897 -0.444 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.896 4.762 0.973 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.537 6.049 -0.197 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.354 5.982 0.513 1.00 0.37 C ATOM 0 H PHE A 50 -8.454 0.659 -0.462 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.022 1.910 1.778 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.900 1.588 -0.416 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.149 2.541 -1.192 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.259 2.663 1.084 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.182 4.955 -0.999 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -2.971 4.706 1.528 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.898 7.001 -0.558 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.788 6.881 0.708 1.00 0.37 H new ATOM 873 N LEU A 51 -8.511 3.860 2.120 1.00 0.30 N ATOM 874 CA LEU A 51 -9.464 4.912 2.403 1.00 0.32 C ATOM 875 C LEU A 51 -8.939 6.226 1.844 1.00 0.36 C ATOM 876 O LEU A 51 -7.922 6.749 2.304 1.00 0.38 O ATOM 877 CB LEU A 51 -9.726 5.004 3.916 1.00 0.33 C ATOM 878 CG LEU A 51 -10.893 5.907 4.354 1.00 0.35 C ATOM 879 CD1 LEU A 51 -10.456 7.358 4.472 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.060 5.785 3.381 1.00 0.41 C ATOM 0 H LEU A 51 -7.776 3.750 2.819 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.416 4.687 1.922 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.912 3.998 4.292 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -8.817 5.362 4.399 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.219 5.572 5.338 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.303 7.969 4.783 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -9.659 7.439 5.212 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.091 7.708 3.506 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -12.875 6.431 3.708 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -11.736 6.086 2.385 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.405 4.751 3.354 1.00 0.41 H new ATOM 892 N SER A 52 -9.621 6.734 0.829 1.00 0.42 N ATOM 893 CA SER A 52 -9.220 7.972 0.190 1.00 0.53 C ATOM 894 C SER A 52 -9.743 9.159 0.984 1.00 0.61 C ATOM 895 O SER A 52 -10.778 9.738 0.656 1.00 0.93 O ATOM 896 CB SER A 52 -9.728 8.016 -1.249 1.00 0.67 C ATOM 897 OG SER A 52 -9.301 6.867 -1.964 1.00 1.28 O ATOM 0 H SER A 52 -10.456 6.305 0.431 1.00 0.42 H new ATOM 0 HA SER A 52 -8.131 8.023 0.167 1.00 0.53 H new ATOM 0 HB2 SER A 52 -10.817 8.071 -1.255 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.361 8.916 -1.743 1.00 0.67 H new ATOM 0 HG SER A 52 -9.637 6.911 -2.884 1.00 1.28 H new ATOM 903 N ASP A 53 -9.032 9.483 2.052 1.00 0.74 N ATOM 904 CA ASP A 53 -9.417 10.570 2.935 1.00 0.90 C ATOM 905 C ASP A 53 -9.340 11.897 2.194 1.00 1.04 C ATOM 906 O ASP A 53 -10.351 12.580 2.021 1.00 1.28 O ATOM 907 CB ASP A 53 -8.502 10.591 4.160 1.00 0.89 C ATOM 908 CG ASP A 53 -8.943 11.586 5.213 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.743 12.804 5.005 1.00 1.24 O ATOM 910 OD2 ASP A 53 -9.504 11.160 6.239 1.00 1.42 O ATOM 0 H ASP A 53 -8.176 9.002 2.330 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.444 10.416 3.265 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.471 9.594 4.600 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.487 10.831 3.844 1.00 0.89 H new ATOM 915 N ASP A 54 -8.137 12.225 1.728 1.00 0.93 N ATOM 916 CA ASP A 54 -7.889 13.470 1.000 1.00 1.10 C ATOM 917 C ASP A 54 -6.401 13.605 0.711 1.00 1.02 C ATOM 918 O ASP A 54 -5.956 13.465 -0.428 1.00 1.22 O ATOM 919 CB ASP A 54 -8.364 14.683 1.810 1.00 1.26 C ATOM 920 CG ASP A 54 -8.458 15.946 0.976 1.00 1.47 C ATOM 921 OD1 ASP A 54 -7.448 16.669 0.858 1.00 1.45 O ATOM 922 OD2 ASP A 54 -9.554 16.232 0.448 1.00 1.73 O ATOM 0 H ASP A 54 -7.310 11.640 1.843 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.447 13.438 0.064 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.340 14.465 2.243 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.678 14.851 2.640 1.00 1.26 H new ATOM 927 N ASP A 55 -5.638 13.845 1.767 1.00 0.87 N ATOM 928 CA ASP A 55 -4.192 14.016 1.669 1.00 0.94 C ATOM 929 C ASP A 55 -3.495 12.659 1.757 1.00 0.87 C ATOM 930 O ASP A 55 -3.986 11.760 2.438 1.00 0.71 O ATOM 931 CB ASP A 55 -3.712 14.934 2.800 1.00 0.99 C ATOM 932 CG ASP A 55 -2.230 15.242 2.733 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.432 14.489 3.327 1.00 1.79 O ATOM 934 OD2 ASP A 55 -1.853 16.245 2.093 1.00 1.58 O ATOM 0 H ASP A 55 -6.001 13.927 2.717 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.945 14.469 0.709 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -4.272 15.868 2.763 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.936 14.466 3.759 1.00 0.99 H new ATOM 939 N PRO A 56 -2.364 12.480 1.047 1.00 1.06 N ATOM 940 CA PRO A 56 -1.568 11.244 1.088 1.00 1.08 C ATOM 941 C PRO A 56 -1.238 10.766 2.507 1.00 0.98 C ATOM 942 O PRO A 56 -1.097 9.564 2.736 1.00 0.97 O ATOM 943 CB PRO A 56 -0.273 11.610 0.342 1.00 1.35 C ATOM 944 CG PRO A 56 -0.332 13.085 0.119 1.00 1.48 C ATOM 945 CD PRO A 56 -1.786 13.448 0.107 1.00 1.33 C ATOM 0 HA PRO A 56 -2.123 10.418 0.643 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.605 11.338 0.928 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -0.203 11.074 -0.605 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.196 13.620 0.909 1.00 1.48 H new ATOM 0 HG3 PRO A 56 0.145 13.356 -0.823 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.950 14.476 0.431 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.219 13.355 -0.889 1.00 1.33 H new ATOM 953 N LYS A 57 -1.116 11.699 3.452 1.00 0.99 N ATOM 954 CA LYS A 57 -0.810 11.348 4.840 1.00 1.02 C ATOM 955 C LYS A 57 -2.061 10.869 5.566 1.00 0.82 C ATOM 956 O LYS A 57 -1.988 10.081 6.508 1.00 0.87 O ATOM 957 CB LYS A 57 -0.233 12.549 5.593 1.00 1.25 C ATOM 958 CG LYS A 57 1.073 13.081 5.023 1.00 1.51 C ATOM 959 CD LYS A 57 2.213 12.092 5.191 1.00 1.62 C ATOM 960 CE LYS A 57 2.388 11.671 6.643 1.00 2.08 C ATOM 961 NZ LYS A 57 2.653 12.820 7.548 1.00 2.93 N ATOM 0 H LYS A 57 -1.224 12.699 3.283 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.072 10.546 4.817 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.970 13.352 5.590 1.00 1.25 H new ATOM 0 HB3 LYS A 57 -0.073 12.267 6.634 1.00 1.25 H new ATOM 0 HG2 LYS A 57 0.941 13.306 3.965 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.330 14.017 5.518 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.023 11.211 4.578 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.138 12.539 4.828 1.00 1.62 H new ATOM 0 HE2 LYS A 57 1.490 11.151 6.977 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.212 10.961 6.714 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 2.831 12.470 8.511 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 3.486 13.343 7.210 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 1.828 13.453 7.557 1.00 2.93 H new ATOM 975 N LYS A 58 -3.206 11.363 5.125 1.00 0.69 N ATOM 976 CA LYS A 58 -4.472 11.048 5.766 1.00 0.65 C ATOM 977 C LYS A 58 -5.075 9.775 5.176 1.00 0.56 C ATOM 978 O LYS A 58 -5.995 9.185 5.748 1.00 0.63 O ATOM 979 CB LYS A 58 -5.427 12.232 5.607 1.00 0.73 C ATOM 980 CG LYS A 58 -4.838 13.538 6.119 1.00 0.94 C ATOM 981 CD LYS A 58 -5.717 14.732 5.788 1.00 1.24 C ATOM 982 CE LYS A 58 -7.032 14.702 6.554 1.00 1.55 C ATOM 983 NZ LYS A 58 -6.832 14.782 8.026 1.00 2.16 N ATOM 0 H LYS A 58 -3.285 11.987 4.322 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.303 10.869 6.828 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.687 12.344 4.554 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.352 12.021 6.143 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -4.704 13.476 7.199 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.850 13.685 5.683 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -5.182 15.652 6.022 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -5.921 14.746 4.717 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -7.658 15.533 6.229 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -7.570 13.785 6.312 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -7.735 15.013 8.487 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -6.486 13.867 8.380 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -6.134 15.522 8.242 1.00 2.16 H new ATOM 997 N GLY A 59 -4.549 9.362 4.027 1.00 0.54 N ATOM 998 CA GLY A 59 -4.981 8.122 3.409 1.00 0.59 C ATOM 999 C GLY A 59 -4.419 6.917 4.130 1.00 0.54 C ATOM 1000 O GLY A 59 -3.282 6.952 4.603 1.00 0.58 O ATOM 0 H GLY A 59 -3.828 9.867 3.511 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.070 8.073 3.411 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.663 8.104 2.366 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.193 5.841 4.204 1.00 0.49 N ATOM 1005 CA ILE A 60 -4.820 4.688 5.017 1.00 0.47 C ATOM 1006 C ILE A 60 -5.318 3.388 4.409 1.00 0.42 C ATOM 1007 O ILE A 60 -6.187 3.391 3.535 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.400 4.791 6.441 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -6.889 5.150 6.363 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.626 5.805 7.269 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.617 5.039 7.679 1.00 0.65 C ATOM 0 H ILE A 60 -6.081 5.742 3.712 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.731 4.687 5.055 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.301 3.826 6.939 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -6.987 6.170 5.990 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.372 4.497 5.636 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.054 5.860 8.270 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.582 5.498 7.337 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -4.686 6.784 6.794 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -8.664 5.309 7.540 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.552 4.014 8.045 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.162 5.713 8.405 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.772 2.281 4.892 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.237 0.963 4.501 1.00 0.40 C ATOM 1025 C TRP A 61 -6.158 0.398 5.565 1.00 0.40 C ATOM 1026 O TRP A 61 -5.811 0.349 6.748 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.070 0.005 4.273 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.227 0.376 3.101 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.076 1.095 3.126 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.471 0.049 1.730 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.589 1.250 1.857 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.425 0.613 0.978 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.472 -0.664 1.067 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.353 0.486 -0.405 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.399 -0.788 -0.305 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.345 -0.216 -1.028 1.00 0.48 C ATOM 0 H TRP A 61 -4.001 2.273 5.560 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.782 1.068 3.563 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.447 -0.019 5.167 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.459 -1.003 4.128 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.612 1.488 4.019 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.741 1.758 1.606 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.287 -1.110 1.618 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.542 0.927 -0.966 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.168 -1.335 -0.830 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.316 -0.332 -2.101 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.330 -0.016 5.142 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.310 -0.590 6.035 1.00 0.37 C ATOM 1049 C LEU A 62 -8.002 -2.064 6.253 1.00 0.42 C ATOM 1050 O LEU A 62 -8.157 -2.873 5.340 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.701 -0.424 5.431 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.054 1.006 5.018 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.351 1.034 4.229 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.166 1.896 6.238 1.00 0.35 C ATOM 0 H LEU A 62 -7.631 0.036 4.169 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.276 -0.079 6.997 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.782 -1.070 4.557 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.439 -0.771 6.154 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.254 1.383 4.380 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.582 2.061 3.946 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.244 0.425 3.331 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.159 0.636 4.843 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.418 2.910 5.927 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.946 1.514 6.896 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.215 1.905 6.770 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.552 -2.412 7.448 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.182 -3.786 7.748 1.00 0.55 C ATOM 1068 C GLU A 63 -8.415 -4.678 7.834 1.00 0.52 C ATOM 1069 O GLU A 63 -9.511 -4.217 8.157 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.403 -3.858 9.064 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.190 -3.362 10.266 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.442 -3.537 11.571 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -6.545 -4.623 12.180 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -5.742 -2.593 11.989 1.00 1.30 O ATOM 0 H GLU A 63 -7.434 -1.762 8.226 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.548 -4.143 6.937 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.099 -4.890 9.240 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.491 -3.269 8.969 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.429 -2.307 10.128 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -8.137 -3.899 10.321 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.228 -5.958 7.560 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.316 -6.923 7.643 1.00 0.58 C ATOM 1083 C ALA A 64 -9.733 -7.147 9.090 1.00 0.60 C ATOM 1084 O ALA A 64 -10.792 -7.712 9.360 1.00 0.65 O ATOM 1085 CB ALA A 64 -8.906 -8.238 6.996 1.00 0.64 C ATOM 0 H ALA A 64 -7.332 -6.355 7.278 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.173 -6.521 7.103 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -9.729 -8.950 7.065 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -8.662 -8.067 5.948 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.034 -8.640 7.511 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.907 -6.669 10.013 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.153 -6.885 11.422 1.00 0.70 C ATOM 1093 C GLY A 65 -10.020 -5.812 12.058 1.00 0.70 C ATOM 1094 O GLY A 65 -10.118 -5.747 13.280 1.00 0.84 O ATOM 0 H GLY A 65 -8.065 -6.132 9.806 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.633 -7.854 11.554 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.199 -6.928 11.947 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.659 -4.973 11.249 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.555 -3.957 11.790 1.00 0.61 C ATOM 1100 C LYS A 66 -12.759 -3.765 10.876 1.00 0.54 C ATOM 1101 O LYS A 66 -12.715 -4.097 9.683 1.00 0.47 O ATOM 1102 CB LYS A 66 -10.826 -2.614 12.016 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.132 -1.528 10.987 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.502 -1.808 9.634 1.00 0.56 C ATOM 1105 CE LYS A 66 -11.183 -1.008 8.534 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.598 -1.401 8.364 1.00 1.29 N ATOM 0 H LYS A 66 -10.576 -4.975 10.232 1.00 0.60 H new ATOM 0 HA LYS A 66 -11.904 -4.309 12.761 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -11.087 -2.239 13.005 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -9.752 -2.798 12.018 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.212 -1.439 10.869 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.772 -0.569 11.359 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.441 -1.559 9.665 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.573 -2.872 9.410 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -11.127 0.055 8.770 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -10.650 -1.155 7.595 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.852 -1.357 7.356 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.733 -2.371 8.713 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -13.206 -0.751 8.903 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.824 -3.204 11.423 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.028 -2.968 10.656 1.00 0.52 C ATOM 1122 C ALA A 67 -14.973 -1.567 10.069 1.00 0.47 C ATOM 1123 O ALA A 67 -14.196 -0.733 10.532 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.249 -3.182 11.526 1.00 0.59 C ATOM 0 H ALA A 67 -13.876 -2.904 12.397 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.099 -3.677 9.831 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.150 -3.002 10.939 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.256 -4.207 11.897 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.221 -2.491 12.369 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.734 -1.322 9.017 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.602 -0.080 8.263 1.00 0.40 C ATOM 1132 C LEU A 68 -15.980 1.138 9.103 1.00 0.43 C ATOM 1133 O LEU A 68 -15.172 2.050 9.274 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.457 -0.139 7.003 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.034 -1.187 5.972 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.984 -1.184 4.787 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.605 -0.940 5.510 1.00 0.37 C ATOM 0 H LEU A 68 -16.447 -1.960 8.664 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.554 0.028 7.983 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.489 -0.336 7.293 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.441 0.841 6.527 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.077 -2.168 6.445 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.667 -1.936 4.064 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -17.993 -1.413 5.129 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -16.975 -0.201 4.316 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.324 -1.696 4.777 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.535 0.049 5.056 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.931 -0.995 6.365 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.184 1.120 9.658 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.743 2.273 10.372 1.00 0.52 C ATOM 1151 C ASP A 69 -17.003 2.520 11.683 1.00 0.58 C ATOM 1152 O ASP A 69 -17.135 3.581 12.296 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.241 2.054 10.618 1.00 0.58 C ATOM 1154 CG ASP A 69 -19.884 3.133 11.470 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -20.116 4.251 10.963 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.177 2.859 12.654 1.00 1.16 O ATOM 0 H ASP A 69 -17.804 0.311 9.629 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.615 3.162 9.754 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.755 2.008 9.658 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.383 1.088 11.103 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.214 1.536 12.104 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.328 1.698 13.237 1.00 0.65 C ATOM 1163 C TYR A 70 -14.334 2.834 12.960 1.00 0.62 C ATOM 1164 O TYR A 70 -13.860 3.505 13.879 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.613 0.366 13.528 1.00 0.69 C ATOM 1166 CG TYR A 70 -13.408 0.495 14.420 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -13.559 0.672 15.784 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.125 0.437 13.900 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -12.463 0.788 16.612 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.020 0.550 14.719 1.00 1.05 C ATOM 1171 CZ TYR A 70 -11.176 0.743 16.053 1.00 1.22 C ATOM 1172 OH TYR A 70 -10.093 0.840 16.898 1.00 1.45 O ATOM 0 H TYR A 70 -16.175 0.614 11.669 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.901 1.969 14.124 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.322 -0.320 13.991 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.306 -0.082 12.583 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -14.552 0.720 16.207 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.988 0.301 12.837 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -12.593 0.912 17.677 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.028 0.485 14.297 1.00 1.05 H new ATOM 0 HH TYR A 70 -9.265 0.793 16.376 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.029 3.035 11.681 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.215 4.163 11.242 1.00 0.58 C ATOM 1184 C TYR A 71 -14.046 5.442 11.137 1.00 0.60 C ATOM 1185 O TYR A 71 -15.113 5.554 11.731 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.548 3.848 9.905 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.134 3.342 10.062 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.094 4.213 10.328 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.841 1.990 9.926 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -8.797 3.755 10.461 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.546 1.525 10.058 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.536 2.406 10.373 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.235 1.958 10.464 1.00 0.72 O ATOM 0 H TYR A 71 -14.337 2.424 10.924 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.441 4.330 11.991 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.140 3.101 9.376 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.541 4.746 9.287 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.298 5.268 10.434 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.637 1.292 9.714 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -7.991 4.453 10.633 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.328 0.477 9.915 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.219 0.981 10.384 1.00 0.72 H new ATOM 1203 N MET A 72 -13.549 6.407 10.370 1.00 0.60 N ATOM 1204 CA MET A 72 -14.225 7.694 10.221 1.00 0.69 C ATOM 1205 C MET A 72 -15.021 7.762 8.923 1.00 0.63 C ATOM 1206 O MET A 72 -15.389 8.848 8.477 1.00 0.75 O ATOM 1207 CB MET A 72 -13.212 8.842 10.219 1.00 0.83 C ATOM 1208 CG MET A 72 -12.333 8.915 11.454 1.00 1.02 C ATOM 1209 SD MET A 72 -11.229 10.343 11.417 1.00 1.73 S ATOM 1210 CE MET A 72 -10.401 10.087 9.849 1.00 2.38 C ATOM 0 H MET A 72 -12.681 6.324 9.841 1.00 0.60 H new ATOM 0 HA MET A 72 -14.904 7.791 11.068 1.00 0.69 H new ATOM 0 HB2 MET A 72 -12.574 8.744 9.341 1.00 0.83 H new ATOM 0 HB3 MET A 72 -13.751 9.784 10.117 1.00 0.83 H new ATOM 0 HG2 MET A 72 -12.961 8.966 12.343 1.00 1.02 H new ATOM 0 HG3 MET A 72 -11.742 8.002 11.533 1.00 1.02 H new ATOM 0 HE1 MET A 72 -9.460 10.636 9.841 1.00 2.38 H new ATOM 0 HE2 MET A 72 -10.202 9.024 9.712 1.00 2.38 H new ATOM 0 HE3 MET A 72 -11.037 10.444 9.039 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.299 6.619 8.312 1.00 0.56 N ATOM 1221 CA LEU A 73 -15.941 6.629 7.007 1.00 0.54 C ATOM 1222 C LEU A 73 -17.413 6.277 7.103 1.00 0.50 C ATOM 1223 O LEU A 73 -17.850 5.572 8.015 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.197 5.724 6.010 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.791 4.334 6.514 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -16.004 3.450 6.715 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.826 3.680 5.541 1.00 0.88 C ATOM 0 H LEU A 73 -15.096 5.693 8.689 1.00 0.56 H new ATOM 0 HA LEU A 73 -15.885 7.647 6.622 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -15.827 5.596 5.130 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -14.296 6.245 5.684 1.00 0.71 H new ATOM 0 HG LEU A 73 -14.296 4.458 7.477 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -15.685 2.471 7.073 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -16.669 3.906 7.449 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -16.532 3.336 5.768 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.547 2.694 5.913 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -14.304 3.579 4.567 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -12.933 4.297 5.444 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.161 6.810 6.161 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.596 6.659 6.102 1.00 0.52 C ATOM 1241 C ARG A 74 -20.098 7.088 4.727 1.00 0.46 C ATOM 1242 O ARG A 74 -19.330 7.131 3.765 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.271 7.462 7.234 1.00 0.65 C ATOM 1244 CG ARG A 74 -19.667 8.840 7.516 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.010 9.868 6.447 1.00 1.64 C ATOM 1246 NE ARG A 74 -18.825 10.311 5.715 1.00 2.05 N ATOM 1247 CZ ARG A 74 -18.584 11.575 5.368 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -19.440 12.537 5.692 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -17.473 11.875 4.705 1.00 3.29 N ATOM 0 H ARG A 74 -17.779 7.372 5.400 1.00 0.48 H new ATOM 0 HA ARG A 74 -19.859 5.611 6.249 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.325 7.590 6.986 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -20.229 6.872 8.149 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -20.023 9.196 8.483 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -18.583 8.748 7.590 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -20.729 9.439 5.749 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -20.492 10.728 6.912 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.137 9.606 5.452 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -20.289 12.311 6.210 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -19.248 13.502 5.423 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -16.809 11.140 4.464 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -17.284 12.841 4.437 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.378 7.394 4.641 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.004 7.775 3.377 1.00 0.47 C ATOM 1265 C ASN A 75 -21.352 9.007 2.766 1.00 0.48 C ATOM 1266 O ASN A 75 -21.402 10.098 3.334 1.00 0.56 O ATOM 1267 CB ASN A 75 -23.499 8.026 3.582 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.305 6.748 3.530 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -24.834 6.379 2.486 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.391 6.049 4.643 1.00 0.51 N ATOM 0 H ASN A 75 -22.016 7.388 5.437 1.00 0.49 H new ATOM 0 HA ASN A 75 -21.864 6.947 2.682 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -23.655 8.513 4.544 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -23.859 8.712 2.815 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -24.910 5.171 4.655 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -23.939 6.386 5.493 1.00 0.51 H new ATOM 1277 N GLY A 76 -20.725 8.821 1.614 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.159 9.941 0.895 1.00 0.51 C ATOM 1279 C GLY A 76 -18.664 9.824 0.700 1.00 0.47 C ATOM 1280 O GLY A 76 -18.094 10.505 -0.155 1.00 0.55 O ATOM 0 H GLY A 76 -20.599 7.914 1.165 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.642 10.022 -0.079 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.378 10.861 1.436 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.028 8.959 1.478 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.576 8.820 1.428 1.00 0.42 C ATOM 1286 C ASP A 77 -16.132 7.995 0.234 1.00 0.38 C ATOM 1287 O ASP A 77 -16.831 7.078 -0.209 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.030 8.178 2.707 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.186 9.066 3.920 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -15.526 10.118 3.974 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -16.973 8.721 4.826 1.00 1.00 O ATOM 0 H ASP A 77 -18.490 8.345 2.149 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.174 9.829 1.332 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -16.547 7.235 2.884 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -14.975 7.942 2.568 1.00 0.44 H new ATOM 1296 N THR A 78 -14.971 8.338 -0.289 1.00 0.36 N ATOM 1297 CA THR A 78 -14.344 7.571 -1.340 1.00 0.35 C ATOM 1298 C THR A 78 -13.488 6.470 -0.725 1.00 0.31 C ATOM 1299 O THR A 78 -12.607 6.739 0.094 1.00 0.34 O ATOM 1300 CB THR A 78 -13.462 8.474 -2.224 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.189 9.657 -2.576 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.022 7.748 -3.489 1.00 0.42 C ATOM 0 H THR A 78 -14.438 9.157 0.005 1.00 0.36 H new ATOM 0 HA THR A 78 -15.124 7.131 -1.961 1.00 0.35 H new ATOM 0 HB THR A 78 -12.570 8.741 -1.657 1.00 0.42 H new ATOM 0 HG1 THR A 78 -13.627 10.232 -3.137 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.401 8.411 -4.092 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.449 6.861 -3.219 1.00 0.42 H new ATOM 0 HG23 THR A 78 -13.900 7.452 -4.063 1.00 0.42 H new ATOM 1310 N MET A 79 -13.740 5.236 -1.114 1.00 0.27 N ATOM 1311 CA MET A 79 -13.004 4.116 -0.576 1.00 0.27 C ATOM 1312 C MET A 79 -12.411 3.332 -1.735 1.00 0.28 C ATOM 1313 O MET A 79 -13.125 2.723 -2.528 1.00 0.27 O ATOM 1314 CB MET A 79 -13.913 3.248 0.299 1.00 0.23 C ATOM 1315 CG MET A 79 -13.161 2.430 1.336 1.00 0.27 C ATOM 1316 SD MET A 79 -12.421 0.937 0.659 1.00 0.65 S ATOM 1317 CE MET A 79 -13.883 -0.069 0.438 1.00 0.24 C ATOM 0 H MET A 79 -14.451 4.986 -1.802 1.00 0.27 H new ATOM 0 HA MET A 79 -12.194 4.465 0.065 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.634 3.889 0.807 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.482 2.573 -0.341 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.379 3.047 1.779 1.00 0.27 H new ATOM 0 HG3 MET A 79 -13.845 2.157 2.140 1.00 0.27 H new ATOM 0 HE1 MET A 79 -13.884 -0.876 1.171 1.00 0.24 H new ATOM 0 HE2 MET A 79 -14.772 0.546 0.575 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.885 -0.492 -0.567 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.101 3.380 -1.830 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.391 2.871 -2.985 1.00 0.35 C ATOM 1329 C GLU A 80 -10.080 1.393 -2.821 1.00 0.33 C ATOM 1330 O GLU A 80 -9.474 0.986 -1.833 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.093 3.670 -3.161 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.402 3.453 -4.496 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.497 4.604 -4.882 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.470 4.811 -4.198 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -7.800 5.301 -5.870 1.00 1.04 O ATOM 0 H GLU A 80 -10.496 3.773 -1.109 1.00 0.32 H new ATOM 0 HA GLU A 80 -11.018 2.984 -3.870 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.315 4.731 -3.048 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.404 3.402 -2.360 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.816 2.535 -4.452 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.155 3.313 -5.271 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.476 0.586 -3.792 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.095 -0.807 -3.808 1.00 0.33 C ATOM 1344 C TYR A 81 -8.904 -0.944 -4.732 1.00 0.36 C ATOM 1345 O TYR A 81 -9.045 -0.940 -5.953 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.253 -1.692 -4.281 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.956 -3.175 -4.209 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.158 -3.884 -3.035 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.475 -3.865 -5.314 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -10.889 -5.236 -2.959 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.204 -5.217 -5.246 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.413 -5.897 -4.067 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.145 -7.245 -3.996 1.00 0.42 O ATOM 0 H TYR A 81 -11.060 0.876 -4.576 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.837 -1.136 -2.801 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.133 -1.477 -3.675 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.502 -1.430 -5.309 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.533 -3.369 -2.163 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.310 -3.336 -6.241 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.051 -5.771 -2.035 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.830 -5.739 -6.114 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.744 -7.664 -3.343 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.734 -1.034 -4.145 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.509 -0.977 -4.917 1.00 0.39 C ATOM 1365 C ARG A 82 -5.548 -2.061 -4.479 1.00 0.40 C ATOM 1366 O ARG A 82 -5.717 -2.664 -3.419 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.856 0.405 -4.802 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.617 0.858 -3.372 1.00 0.44 C ATOM 1369 CD ARG A 82 -5.004 2.249 -3.319 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.669 2.304 -3.914 1.00 0.65 N ATOM 1371 CZ ARG A 82 -3.141 3.408 -4.445 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.859 4.522 -4.527 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.902 3.387 -4.912 1.00 1.03 N ATOM 0 H ARG A 82 -7.601 -1.147 -3.140 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.761 -1.147 -5.964 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.904 0.391 -5.332 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.489 1.137 -5.303 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.561 0.855 -2.826 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -4.957 0.150 -2.871 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.658 2.949 -3.839 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.948 2.577 -2.281 1.00 0.56 H new ATOM 0 HE ARG A 82 -3.111 1.451 -3.923 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.819 4.536 -4.183 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.450 5.363 -4.934 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.354 2.528 -4.865 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.496 4.230 -5.319 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.546 -2.305 -5.300 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.530 -3.281 -4.979 1.00 0.45 C ATOM 1389 C LYS A 83 -2.743 -2.784 -3.778 1.00 0.42 C ATOM 1390 O LYS A 83 -2.214 -1.672 -3.798 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.613 -3.491 -6.189 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.697 -4.698 -6.082 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.897 -4.887 -7.360 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.057 -6.153 -7.323 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.893 -7.380 -7.386 1.00 1.74 N ATOM 0 H LYS A 83 -4.416 -1.838 -6.197 1.00 0.43 H new ATOM 0 HA LYS A 83 -3.987 -4.240 -4.734 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.229 -3.596 -7.082 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.003 -2.598 -6.326 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.018 -4.571 -5.239 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.288 -5.592 -5.883 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.577 -4.928 -8.211 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.247 -4.025 -7.512 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.643 -6.148 -8.159 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.538 -6.166 -6.410 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.649 -8.008 -6.594 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -1.898 -7.119 -7.324 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -0.718 -7.873 -8.285 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.696 -3.590 -2.722 1.00 0.44 N ATOM 1410 CA LYS A 84 -1.982 -3.210 -1.513 1.00 0.46 C ATOM 1411 C LYS A 84 -0.526 -2.973 -1.824 1.00 0.46 C ATOM 1412 O LYS A 84 0.146 -2.202 -1.145 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.085 -4.275 -0.426 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.469 -4.431 0.165 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.394 -5.139 1.503 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.763 -5.560 1.997 1.00 0.67 C ATOM 1417 NZ LYS A 84 -4.674 -6.445 3.188 1.00 1.32 N ATOM 0 H LYS A 84 -3.143 -4.506 -2.681 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.446 -2.296 -1.143 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.770 -5.232 -0.841 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.387 -4.029 0.374 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.931 -3.452 0.290 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -4.102 -4.997 -0.518 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.754 -6.017 1.414 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -2.930 -4.480 2.237 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -5.348 -4.674 2.246 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.294 -6.078 1.198 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -5.631 -6.711 3.495 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.138 -7.302 2.944 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -4.190 -5.942 3.959 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.044 -3.621 -2.869 1.00 0.44 N ATOM 1432 CA GLN A 85 1.330 -3.479 -3.272 1.00 0.47 C ATOM 1433 C GLN A 85 1.430 -2.375 -4.299 1.00 0.52 C ATOM 1434 O GLN A 85 0.530 -2.193 -5.115 1.00 0.83 O ATOM 1435 CB GLN A 85 1.861 -4.782 -3.865 1.00 0.53 C ATOM 1436 CG GLN A 85 1.039 -6.003 -3.507 1.00 0.50 C ATOM 1437 CD GLN A 85 1.804 -7.291 -3.705 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.827 -7.854 -4.800 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.409 -7.779 -2.637 1.00 0.72 N ATOM 0 H GLN A 85 -0.593 -4.253 -3.452 1.00 0.44 H new ATOM 0 HA GLN A 85 1.931 -3.233 -2.397 1.00 0.47 H new ATOM 0 HB2 GLN A 85 1.897 -4.687 -4.950 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.885 -4.934 -3.524 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.719 -5.930 -2.468 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.137 -6.022 -4.118 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.362 -7.277 -1.750 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.923 -8.658 -2.699 1.00 0.72 H new ATOM 1448 N ARG A 86 2.514 -1.640 -4.247 1.00 0.50 N ATOM 1449 CA ARG A 86 2.723 -0.522 -5.144 1.00 0.52 C ATOM 1450 C ARG A 86 4.027 -0.689 -5.913 1.00 0.50 C ATOM 1451 O ARG A 86 4.988 -1.258 -5.393 1.00 0.53 O ATOM 1452 CB ARG A 86 2.700 0.776 -4.337 1.00 0.67 C ATOM 1453 CG ARG A 86 3.164 0.596 -2.900 1.00 0.85 C ATOM 1454 CD ARG A 86 4.672 0.726 -2.757 1.00 0.98 C ATOM 1455 NE ARG A 86 5.078 2.127 -2.757 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.858 2.943 -1.724 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.420 2.439 -0.582 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.102 4.243 -1.819 1.00 1.85 N ATOM 0 H ARG A 86 3.275 -1.796 -3.586 1.00 0.50 H new ATOM 0 HA ARG A 86 1.922 -0.485 -5.882 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.336 1.513 -4.828 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.687 1.179 -4.337 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.677 1.338 -2.268 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.851 -0.384 -2.540 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.996 0.250 -1.831 1.00 0.98 H new ATOM 0 HD3 ARG A 86 5.165 0.201 -3.575 1.00 0.98 H new ATOM 0 HE ARG A 86 5.550 2.499 -3.581 1.00 1.13 H new ATOM 0 HH11 ARG A 86 4.254 1.436 -0.498 1.00 1.62 H new ATOM 0 HH12 ARG A 86 4.248 3.053 0.214 1.00 1.62 H new ATOM 0 HH21 ARG A 86 5.463 4.632 -2.690 1.00 1.85 H new ATOM 0 HH22 ARG A 86 4.929 4.854 -1.021 1.00 1.85 H new ATOM 1472 N PRO A 87 4.061 -0.212 -7.170 1.00 0.52 N ATOM 1473 CA PRO A 87 5.219 -0.376 -8.052 1.00 0.52 C ATOM 1474 C PRO A 87 6.446 0.374 -7.547 1.00 0.53 C ATOM 1475 O PRO A 87 6.548 1.598 -7.669 1.00 0.62 O ATOM 1476 CB PRO A 87 4.745 0.199 -9.391 1.00 0.57 C ATOM 1477 CG PRO A 87 3.624 1.115 -9.041 1.00 0.86 C ATOM 1478 CD PRO A 87 2.966 0.521 -7.831 1.00 0.60 C ATOM 0 HA PRO A 87 5.533 -1.418 -8.115 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.548 0.734 -9.898 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.414 -0.591 -10.065 1.00 0.57 H new ATOM 0 HG2 PRO A 87 3.992 2.119 -8.831 1.00 0.86 H new ATOM 0 HG3 PRO A 87 2.918 1.200 -9.867 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.549 1.291 -7.182 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.146 -0.143 -8.105 1.00 0.60 H new ATOM 1486 N LEU A 88 7.373 -0.370 -6.977 1.00 0.50 N ATOM 1487 CA LEU A 88 8.560 0.218 -6.392 1.00 0.53 C ATOM 1488 C LEU A 88 9.749 0.078 -7.323 1.00 0.44 C ATOM 1489 O LEU A 88 10.074 -1.021 -7.770 1.00 0.42 O ATOM 1490 CB LEU A 88 8.863 -0.405 -5.030 1.00 0.63 C ATOM 1491 CG LEU A 88 8.002 0.127 -3.885 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.344 -0.571 -2.583 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.193 1.626 -3.742 1.00 1.51 C ATOM 0 H LEU A 88 7.326 -1.386 -6.907 1.00 0.50 H new ATOM 0 HA LEU A 88 8.369 1.281 -6.244 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.726 -1.484 -5.100 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.912 -0.231 -4.790 1.00 0.63 H new ATOM 0 HG LEU A 88 6.957 -0.078 -4.118 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.718 -0.176 -1.783 1.00 1.19 H new ATOM 0 HD12 LEU A 88 8.167 -1.642 -2.687 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.393 -0.398 -2.342 1.00 1.19 H new ATOM 0 HD21 LEU A 88 7.575 1.995 -2.923 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.241 1.841 -3.531 1.00 1.51 H new ATOM 0 HD23 LEU A 88 7.901 2.120 -4.669 1.00 1.51 H new ATOM 1505 N LYS A 89 10.383 1.199 -7.622 1.00 0.44 N ATOM 1506 CA LYS A 89 11.604 1.190 -8.405 1.00 0.42 C ATOM 1507 C LYS A 89 12.787 1.064 -7.464 1.00 0.39 C ATOM 1508 O LYS A 89 13.135 2.005 -6.759 1.00 0.42 O ATOM 1509 CB LYS A 89 11.724 2.453 -9.265 1.00 0.51 C ATOM 1510 CG LYS A 89 11.035 2.348 -10.623 1.00 0.69 C ATOM 1511 CD LYS A 89 9.528 2.168 -10.503 1.00 0.93 C ATOM 1512 CE LYS A 89 8.850 3.422 -9.971 1.00 1.49 C ATOM 1513 NZ LYS A 89 7.376 3.257 -9.886 1.00 2.11 N ATOM 0 H LYS A 89 10.071 2.126 -7.334 1.00 0.44 H new ATOM 0 HA LYS A 89 11.585 0.340 -9.087 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.299 3.294 -8.718 1.00 0.51 H new ATOM 0 HB3 LYS A 89 12.780 2.675 -9.421 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.245 3.247 -11.203 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.455 1.507 -11.175 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.113 1.917 -11.479 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.314 1.330 -9.840 1.00 0.93 H new ATOM 0 HE2 LYS A 89 9.247 3.659 -8.984 1.00 1.49 H new ATOM 0 HE3 LYS A 89 9.085 4.266 -10.620 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 6.991 3.927 -9.189 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 6.952 3.444 -10.817 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 7.152 2.285 -9.592 1.00 2.11 H new ATOM 1527 N ILE A 90 13.395 -0.104 -7.463 1.00 0.36 N ATOM 1528 CA ILE A 90 14.411 -0.436 -6.480 1.00 0.33 C ATOM 1529 C ILE A 90 15.744 -0.667 -7.170 1.00 0.35 C ATOM 1530 O ILE A 90 15.810 -1.401 -8.155 1.00 0.36 O ATOM 1531 CB ILE A 90 14.032 -1.707 -5.681 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.667 -1.537 -5.000 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.106 -2.036 -4.652 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.625 -0.425 -3.974 1.00 0.36 C ATOM 0 H ILE A 90 13.203 -0.846 -8.136 1.00 0.36 H new ATOM 0 HA ILE A 90 14.486 0.402 -5.787 1.00 0.33 H new ATOM 0 HB ILE A 90 13.962 -2.539 -6.382 1.00 0.32 H new ATOM 0 HG12 ILE A 90 11.914 -1.342 -5.763 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.395 -2.475 -4.516 1.00 0.35 H new ATOM 0 HG21 ILE A 90 14.820 -2.932 -4.102 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.055 -2.209 -5.159 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.212 -1.202 -3.958 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.627 -0.369 -3.539 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.353 -0.627 -3.188 1.00 0.36 H new ATOM 0 HD13 ILE A 90 12.864 0.523 -4.455 1.00 0.36 H new ATOM 1546 N ARG A 91 16.801 -0.041 -6.672 1.00 0.38 N ATOM 1547 CA ARG A 91 18.129 -0.253 -7.212 1.00 0.43 C ATOM 1548 C ARG A 91 18.955 -1.077 -6.230 1.00 0.42 C ATOM 1549 O ARG A 91 19.109 -0.705 -5.069 1.00 0.44 O ATOM 1550 CB ARG A 91 18.807 1.089 -7.501 1.00 0.52 C ATOM 1551 CG ARG A 91 20.281 0.973 -7.847 1.00 0.57 C ATOM 1552 CD ARG A 91 20.914 2.340 -8.041 1.00 0.74 C ATOM 1553 NE ARG A 91 20.384 3.030 -9.214 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.144 4.340 -9.265 1.00 1.09 C ATOM 1555 NH1 ARG A 91 20.336 5.103 -8.195 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.712 4.887 -10.391 1.00 1.12 N ATOM 0 H ARG A 91 16.761 0.618 -5.894 1.00 0.38 H new ATOM 0 HA ARG A 91 18.052 -0.800 -8.151 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.288 1.577 -8.326 1.00 0.52 H new ATOM 0 HB3 ARG A 91 18.698 1.735 -6.630 1.00 0.52 H new ATOM 0 HG2 ARG A 91 20.802 0.439 -7.052 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.397 0.384 -8.757 1.00 0.57 H new ATOM 0 HD2 ARG A 91 20.740 2.949 -7.154 1.00 0.74 H new ATOM 0 HD3 ARG A 91 21.993 2.228 -8.144 1.00 0.74 H new ATOM 0 HE ARG A 91 20.185 2.475 -10.046 1.00 0.72 H new ATOM 0 HH11 ARG A 91 20.670 4.687 -7.325 1.00 1.82 H new ATOM 0 HH12 ARG A 91 20.150 6.105 -8.243 1.00 1.82 H new ATOM 0 HH21 ARG A 91 19.564 4.306 -11.216 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.527 5.889 -10.433 1.00 1.12 H new ATOM 1570 N MET A 92 19.463 -2.201 -6.707 1.00 0.42 N ATOM 1571 CA MET A 92 20.233 -3.124 -5.888 1.00 0.44 C ATOM 1572 C MET A 92 21.681 -2.681 -5.772 1.00 0.48 C ATOM 1573 O MET A 92 22.111 -1.766 -6.482 1.00 0.51 O ATOM 1574 CB MET A 92 20.167 -4.522 -6.500 1.00 0.46 C ATOM 1575 CG MET A 92 19.144 -5.439 -5.856 1.00 0.57 C ATOM 1576 SD MET A 92 17.582 -4.624 -5.471 1.00 1.04 S ATOM 1577 CE MET A 92 16.972 -4.272 -7.112 1.00 0.34 C ATOM 0 H MET A 92 19.353 -2.501 -7.676 1.00 0.42 H new ATOM 0 HA MET A 92 19.803 -3.136 -4.886 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.938 -4.430 -7.562 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.151 -4.985 -6.425 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.951 -6.279 -6.523 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.565 -5.851 -4.939 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.044 -3.704 -7.041 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.714 -3.689 -7.659 1.00 0.34 H new ATOM 0 HE3 MET A 92 16.785 -5.208 -7.639 1.00 0.34 H new ATOM 1587 N LEU A 93 22.424 -3.378 -4.908 1.00 0.49 N ATOM 1588 CA LEU A 93 23.794 -3.010 -4.536 1.00 0.55 C ATOM 1589 C LEU A 93 24.667 -2.765 -5.762 1.00 0.61 C ATOM 1590 O LEU A 93 25.400 -1.780 -5.824 1.00 0.69 O ATOM 1591 CB LEU A 93 24.453 -4.106 -3.675 1.00 0.57 C ATOM 1592 CG LEU A 93 23.770 -4.460 -2.341 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.273 -3.213 -1.628 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.639 -5.460 -2.544 1.00 0.79 C ATOM 0 H LEU A 93 22.089 -4.221 -4.442 1.00 0.49 H new ATOM 0 HA LEU A 93 23.718 -2.087 -3.961 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.515 -5.014 -4.274 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.476 -3.796 -3.459 1.00 0.57 H new ATOM 0 HG LEU A 93 24.520 -4.932 -1.706 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.796 -3.496 -0.690 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.115 -2.552 -1.422 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.552 -2.696 -2.260 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.178 -5.688 -1.583 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.891 -5.033 -3.212 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.037 -6.375 -2.982 1.00 0.79 H new ATOM 1606 N ASP A 94 24.561 -3.650 -6.743 1.00 0.61 N ATOM 1607 CA ASP A 94 25.406 -3.585 -7.932 1.00 0.69 C ATOM 1608 C ASP A 94 24.917 -2.508 -8.895 1.00 0.66 C ATOM 1609 O ASP A 94 25.523 -2.267 -9.941 1.00 0.70 O ATOM 1610 CB ASP A 94 25.433 -4.940 -8.639 1.00 0.76 C ATOM 1611 CG ASP A 94 24.168 -5.224 -9.421 1.00 1.47 C ATOM 1612 OD1 ASP A 94 23.070 -4.959 -8.893 1.00 1.93 O ATOM 1613 OD2 ASP A 94 24.259 -5.718 -10.565 1.00 2.26 O ATOM 0 H ASP A 94 23.897 -4.424 -6.741 1.00 0.61 H new ATOM 0 HA ASP A 94 26.416 -3.328 -7.612 1.00 0.69 H new ATOM 0 HB2 ASP A 94 26.287 -4.974 -9.315 1.00 0.76 H new ATOM 0 HB3 ASP A 94 25.581 -5.727 -7.899 1.00 0.76 H new ATOM 1618 N GLY A 95 23.809 -1.875 -8.547 1.00 0.61 N ATOM 1619 CA GLY A 95 23.305 -0.774 -9.337 1.00 0.61 C ATOM 1620 C GLY A 95 22.163 -1.184 -10.235 1.00 0.58 C ATOM 1621 O GLY A 95 21.659 -0.377 -11.017 1.00 0.64 O ATOM 0 H GLY A 95 23.247 -2.106 -7.727 1.00 0.61 H new ATOM 0 HA2 GLY A 95 22.973 0.024 -8.673 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.113 -0.367 -9.945 1.00 0.61 H new ATOM 1625 N THR A 96 21.739 -2.433 -10.120 1.00 0.54 N ATOM 1626 CA THR A 96 20.681 -2.952 -10.976 1.00 0.54 C ATOM 1627 C THR A 96 19.315 -2.587 -10.422 1.00 0.47 C ATOM 1628 O THR A 96 19.059 -2.750 -9.235 1.00 0.47 O ATOM 1629 CB THR A 96 20.785 -4.482 -11.132 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.037 -4.822 -11.742 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.647 -5.031 -11.982 1.00 0.61 C ATOM 0 H THR A 96 22.108 -3.104 -9.446 1.00 0.54 H new ATOM 0 HA THR A 96 20.803 -2.495 -11.958 1.00 0.54 H new ATOM 0 HB THR A 96 20.719 -4.926 -10.139 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.512 -5.467 -11.177 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.750 -6.112 -12.073 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.693 -4.795 -11.509 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.682 -4.579 -12.973 1.00 0.61 H new ATOM 1639 N VAL A 97 18.436 -2.102 -11.281 1.00 0.45 N ATOM 1640 CA VAL A 97 17.121 -1.693 -10.859 1.00 0.41 C ATOM 1641 C VAL A 97 16.072 -2.712 -11.269 1.00 0.38 C ATOM 1642 O VAL A 97 16.138 -3.301 -12.349 1.00 0.41 O ATOM 1643 CB VAL A 97 16.735 -0.318 -11.432 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.128 0.797 -10.481 1.00 1.07 C ATOM 1645 CG2 VAL A 97 17.380 -0.095 -12.786 1.00 1.11 C ATOM 0 H VAL A 97 18.616 -1.984 -12.278 1.00 0.45 H new ATOM 0 HA VAL A 97 17.154 -1.622 -9.772 1.00 0.41 H new ATOM 0 HB VAL A 97 15.652 -0.305 -11.555 1.00 0.50 H new ATOM 0 HG11 VAL A 97 16.844 1.758 -10.910 1.00 1.07 H new ATOM 0 HG12 VAL A 97 16.617 0.660 -9.528 1.00 1.07 H new ATOM 0 HG13 VAL A 97 18.206 0.776 -10.321 1.00 1.07 H new ATOM 0 HG21 VAL A 97 17.092 0.884 -13.170 1.00 1.11 H new ATOM 0 HG22 VAL A 97 18.464 -0.140 -12.684 1.00 1.11 H new ATOM 0 HG23 VAL A 97 17.048 -0.868 -13.479 1.00 1.11 H new ATOM 1655 N LYS A 98 15.123 -2.921 -10.383 1.00 0.35 N ATOM 1656 CA LYS A 98 13.967 -3.746 -10.682 1.00 0.35 C ATOM 1657 C LYS A 98 12.721 -3.099 -10.111 1.00 0.36 C ATOM 1658 O LYS A 98 12.808 -2.264 -9.211 1.00 0.37 O ATOM 1659 CB LYS A 98 14.119 -5.174 -10.138 1.00 0.38 C ATOM 1660 CG LYS A 98 13.900 -5.315 -8.638 1.00 0.41 C ATOM 1661 CD LYS A 98 13.638 -6.768 -8.243 1.00 0.43 C ATOM 1662 CE LYS A 98 12.252 -7.241 -8.669 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.144 -7.496 -10.134 1.00 0.94 N ATOM 0 H LYS A 98 15.128 -2.529 -9.442 1.00 0.35 H new ATOM 0 HA LYS A 98 13.882 -3.822 -11.766 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.412 -5.822 -10.656 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.119 -5.535 -10.380 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.776 -4.945 -8.105 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.056 -4.696 -8.333 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.394 -7.408 -8.698 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.740 -6.873 -7.163 1.00 0.43 H new ATOM 0 HE2 LYS A 98 12.005 -8.155 -8.128 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.515 -6.491 -8.382 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.562 -8.342 -10.297 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.701 -6.677 -10.597 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 13.093 -7.647 -10.531 1.00 0.94 H new ATOM 1677 N THR A 99 11.570 -3.455 -10.645 1.00 0.40 N ATOM 1678 CA THR A 99 10.315 -2.989 -10.105 1.00 0.44 C ATOM 1679 C THR A 99 9.520 -4.170 -9.578 1.00 0.47 C ATOM 1680 O THR A 99 9.205 -5.101 -10.321 1.00 0.58 O ATOM 1681 CB THR A 99 9.493 -2.241 -11.168 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.274 -1.166 -11.714 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.210 -1.689 -10.568 1.00 0.57 C ATOM 0 H THR A 99 11.481 -4.068 -11.455 1.00 0.40 H new ATOM 0 HA THR A 99 10.529 -2.294 -9.293 1.00 0.44 H new ATOM 0 HB THR A 99 9.230 -2.942 -11.960 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.749 -0.692 -12.392 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.645 -1.164 -11.338 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.610 -2.509 -10.174 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.454 -0.997 -9.762 1.00 0.57 H new ATOM 1691 N ILE A 100 9.233 -4.151 -8.293 1.00 0.42 N ATOM 1692 CA ILE A 100 8.503 -5.228 -7.659 1.00 0.44 C ATOM 1693 C ILE A 100 7.339 -4.635 -6.877 1.00 0.45 C ATOM 1694 O ILE A 100 7.426 -3.505 -6.387 1.00 0.45 O ATOM 1695 CB ILE A 100 9.442 -6.070 -6.750 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.740 -7.338 -6.226 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.984 -5.230 -5.599 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.066 -7.182 -4.876 1.00 0.50 C ATOM 0 H ILE A 100 9.497 -3.394 -7.663 1.00 0.42 H new ATOM 0 HA ILE A 100 8.109 -5.906 -8.416 1.00 0.44 H new ATOM 0 HB ILE A 100 10.285 -6.393 -7.361 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.992 -7.650 -6.955 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.474 -8.141 -6.159 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.638 -5.842 -4.978 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.548 -4.387 -5.998 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.154 -4.860 -4.997 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.600 -8.125 -4.591 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.809 -6.904 -4.128 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.304 -6.405 -4.937 1.00 0.50 H new ATOM 1710 N MET A 101 6.245 -5.370 -6.791 1.00 0.47 N ATOM 1711 CA MET A 101 5.069 -4.869 -6.109 1.00 0.50 C ATOM 1712 C MET A 101 5.130 -5.229 -4.638 1.00 0.50 C ATOM 1713 O MET A 101 5.021 -6.395 -4.251 1.00 0.52 O ATOM 1714 CB MET A 101 3.811 -5.479 -6.733 1.00 0.56 C ATOM 1715 CG MET A 101 3.673 -5.220 -8.224 1.00 0.64 C ATOM 1716 SD MET A 101 3.494 -3.470 -8.611 1.00 0.98 S ATOM 1717 CE MET A 101 2.045 -3.072 -7.639 1.00 0.59 C ATOM 0 H MET A 101 6.148 -6.307 -7.181 1.00 0.47 H new ATOM 0 HA MET A 101 5.036 -3.784 -6.211 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.818 -6.555 -6.561 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.934 -5.080 -6.223 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.548 -5.614 -8.740 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.808 -5.763 -8.604 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.286 -2.628 -8.283 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.650 -3.981 -7.186 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.316 -2.364 -6.856 1.00 0.59 H new ATOM 1727 N VAL A 102 5.306 -4.200 -3.826 1.00 0.50 N ATOM 1728 CA VAL A 102 5.413 -4.370 -2.391 1.00 0.53 C ATOM 1729 C VAL A 102 4.299 -3.623 -1.686 1.00 0.49 C ATOM 1730 O VAL A 102 3.986 -2.484 -2.035 1.00 0.50 O ATOM 1731 CB VAL A 102 6.766 -3.874 -1.853 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.200 -4.723 -0.675 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.824 -3.868 -2.944 1.00 0.90 C ATOM 0 H VAL A 102 5.378 -3.233 -4.141 1.00 0.50 H new ATOM 0 HA VAL A 102 5.332 -5.438 -2.190 1.00 0.53 H new ATOM 0 HB VAL A 102 6.646 -2.845 -1.513 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.159 -4.364 -0.301 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.454 -4.656 0.117 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.300 -5.761 -0.992 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.769 -3.513 -2.533 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.954 -4.879 -3.330 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.509 -3.208 -3.752 1.00 0.90 H new ATOM 1743 N ASP A 103 3.705 -4.282 -0.707 1.00 0.48 N ATOM 1744 CA ASP A 103 2.556 -3.751 0.013 1.00 0.47 C ATOM 1745 C ASP A 103 2.901 -2.454 0.736 1.00 0.46 C ATOM 1746 O ASP A 103 3.930 -2.354 1.401 1.00 0.51 O ATOM 1747 CB ASP A 103 2.054 -4.789 1.016 1.00 0.51 C ATOM 1748 CG ASP A 103 2.089 -6.190 0.448 1.00 1.22 C ATOM 1749 OD1 ASP A 103 3.123 -6.870 0.578 1.00 1.96 O ATOM 1750 OD2 ASP A 103 1.059 -6.618 -0.117 1.00 1.56 O ATOM 0 H ASP A 103 4.005 -5.203 -0.386 1.00 0.48 H new ATOM 0 HA ASP A 103 1.773 -3.531 -0.712 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.666 -4.748 1.917 1.00 0.51 H new ATOM 0 HB3 ASP A 103 1.034 -4.543 1.312 1.00 0.51 H new ATOM 1755 N ASP A 104 2.041 -1.463 0.584 1.00 0.46 N ATOM 1756 CA ASP A 104 2.186 -0.190 1.278 1.00 0.47 C ATOM 1757 C ASP A 104 1.538 -0.285 2.654 1.00 0.46 C ATOM 1758 O ASP A 104 1.759 0.547 3.534 1.00 0.54 O ATOM 1759 CB ASP A 104 1.544 0.926 0.443 1.00 0.54 C ATOM 1760 CG ASP A 104 1.571 2.287 1.114 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.675 2.835 1.291 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.499 2.788 1.505 1.00 0.64 O ATOM 0 H ASP A 104 1.223 -1.515 -0.022 1.00 0.46 H new ATOM 0 HA ASP A 104 3.242 0.044 1.410 1.00 0.47 H new ATOM 0 HB2 ASP A 104 2.060 0.993 -0.515 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.510 0.657 0.229 1.00 0.54 H new ATOM 1767 N SER A 105 0.765 -1.344 2.841 1.00 0.43 N ATOM 1768 CA SER A 105 0.038 -1.568 4.079 1.00 0.49 C ATOM 1769 C SER A 105 0.918 -2.196 5.168 1.00 0.57 C ATOM 1770 O SER A 105 0.405 -2.726 6.154 1.00 0.96 O ATOM 1771 CB SER A 105 -1.158 -2.471 3.784 1.00 0.52 C ATOM 1772 OG SER A 105 -0.766 -3.579 2.987 1.00 1.27 O ATOM 0 H SER A 105 0.625 -2.071 2.139 1.00 0.43 H new ATOM 0 HA SER A 105 -0.294 -0.603 4.462 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.592 -2.825 4.719 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.932 -1.902 3.269 1.00 0.52 H new ATOM 0 HG SER A 105 -1.096 -4.407 3.393 1.00 1.27 H new ATOM 1778 N LYS A 106 2.235 -2.124 5.007 1.00 0.45 N ATOM 1779 CA LYS A 106 3.150 -2.711 5.979 1.00 0.49 C ATOM 1780 C LYS A 106 4.450 -1.917 6.081 1.00 0.52 C ATOM 1781 O LYS A 106 4.730 -1.057 5.247 1.00 0.65 O ATOM 1782 CB LYS A 106 3.416 -4.188 5.648 1.00 0.58 C ATOM 1783 CG LYS A 106 3.724 -4.471 4.184 1.00 0.69 C ATOM 1784 CD LYS A 106 5.186 -4.257 3.845 1.00 0.58 C ATOM 1785 CE LYS A 106 5.498 -4.708 2.426 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.182 -6.148 2.205 1.00 2.02 N ATOM 0 H LYS A 106 2.691 -1.667 4.217 1.00 0.45 H new ATOM 0 HA LYS A 106 2.673 -2.665 6.958 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.252 -4.536 6.254 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.545 -4.774 5.941 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.447 -5.499 3.950 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.111 -3.825 3.556 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.436 -3.202 3.957 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.809 -4.809 4.549 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.929 -4.102 1.721 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.553 -4.534 2.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 5.878 -6.560 1.551 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.218 -6.654 3.113 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.230 -6.236 1.797 1.00 2.02 H new ATOM 1800 N THR A 107 5.235 -2.222 7.108 1.00 0.53 N ATOM 1801 CA THR A 107 6.444 -1.469 7.419 1.00 0.57 C ATOM 1802 C THR A 107 7.596 -1.784 6.466 1.00 0.52 C ATOM 1803 O THR A 107 7.470 -2.598 5.549 1.00 0.54 O ATOM 1804 CB THR A 107 6.895 -1.753 8.859 1.00 0.69 C ATOM 1805 OG1 THR A 107 6.751 -3.152 9.135 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.093 -0.930 9.858 1.00 0.74 C ATOM 0 H THR A 107 5.052 -2.996 7.747 1.00 0.53 H new ATOM 0 HA THR A 107 6.190 -0.415 7.302 1.00 0.57 H new ATOM 0 HB THR A 107 7.942 -1.468 8.960 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.040 -3.336 10.053 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.434 -1.152 10.869 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.234 0.131 9.652 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.036 -1.179 9.769 1.00 0.74 H new ATOM 1814 N VAL A 108 8.736 -1.145 6.718 1.00 0.49 N ATOM 1815 CA VAL A 108 9.899 -1.252 5.848 1.00 0.47 C ATOM 1816 C VAL A 108 10.485 -2.657 5.868 1.00 0.42 C ATOM 1817 O VAL A 108 10.792 -3.219 4.827 1.00 0.44 O ATOM 1818 CB VAL A 108 10.992 -0.260 6.275 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.121 -0.230 5.256 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.405 1.128 6.489 1.00 0.60 C ATOM 0 H VAL A 108 8.877 -0.541 7.528 1.00 0.49 H new ATOM 0 HA VAL A 108 9.561 -1.020 4.838 1.00 0.47 H new ATOM 0 HB VAL A 108 11.409 -0.596 7.224 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.884 0.479 5.579 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.562 -1.223 5.172 1.00 0.61 H new ATOM 0 HG13 VAL A 108 11.728 0.076 4.286 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.196 1.815 6.791 1.00 0.60 H new ATOM 0 HG22 VAL A 108 9.954 1.479 5.561 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.644 1.085 7.269 1.00 0.60 H new ATOM 1830 N THR A 109 10.677 -3.183 7.067 1.00 0.43 N ATOM 1831 CA THR A 109 11.205 -4.532 7.274 1.00 0.43 C ATOM 1832 C THR A 109 10.566 -5.569 6.346 1.00 0.44 C ATOM 1833 O THR A 109 11.265 -6.226 5.569 1.00 0.45 O ATOM 1834 CB THR A 109 10.998 -4.955 8.735 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.502 -3.920 9.588 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.707 -6.270 9.034 1.00 0.56 C ATOM 0 H THR A 109 10.471 -2.686 7.934 1.00 0.43 H new ATOM 0 HA THR A 109 12.268 -4.496 7.036 1.00 0.43 H new ATOM 0 HB THR A 109 9.933 -5.106 8.914 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.374 -4.177 10.525 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.542 -6.543 10.076 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.311 -7.052 8.386 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.776 -6.156 8.854 1.00 0.56 H new ATOM 1844 N ASP A 110 9.246 -5.701 6.414 1.00 0.47 N ATOM 1845 CA ASP A 110 8.537 -6.682 5.595 1.00 0.51 C ATOM 1846 C ASP A 110 8.680 -6.342 4.114 1.00 0.49 C ATOM 1847 O ASP A 110 8.814 -7.228 3.267 1.00 0.54 O ATOM 1848 CB ASP A 110 7.058 -6.737 5.983 1.00 0.57 C ATOM 1849 CG ASP A 110 6.320 -7.871 5.299 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.869 -7.685 4.154 1.00 0.70 O ATOM 1851 OD2 ASP A 110 6.191 -8.955 5.901 1.00 0.76 O ATOM 0 H ASP A 110 8.646 -5.145 7.024 1.00 0.47 H new ATOM 0 HA ASP A 110 8.980 -7.662 5.774 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.973 -6.852 7.064 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.583 -5.791 5.725 1.00 0.57 H new ATOM 1856 N MET A 111 8.666 -5.050 3.816 1.00 0.46 N ATOM 1857 CA MET A 111 8.841 -4.564 2.451 1.00 0.46 C ATOM 1858 C MET A 111 10.213 -4.947 1.906 1.00 0.40 C ATOM 1859 O MET A 111 10.323 -5.463 0.798 1.00 0.43 O ATOM 1860 CB MET A 111 8.643 -3.044 2.418 1.00 0.51 C ATOM 1861 CG MET A 111 9.047 -2.377 1.110 1.00 0.50 C ATOM 1862 SD MET A 111 8.533 -0.654 1.025 1.00 0.75 S ATOM 1863 CE MET A 111 8.718 -0.213 2.739 1.00 0.67 C ATOM 0 H MET A 111 8.534 -4.312 4.508 1.00 0.46 H new ATOM 0 HA MET A 111 8.093 -5.032 1.811 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.593 -2.824 2.613 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.218 -2.599 3.230 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.129 -2.436 0.996 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.608 -2.925 0.276 1.00 0.50 H new ATOM 0 HE1 MET A 111 8.792 0.871 2.830 1.00 0.67 H new ATOM 0 HE2 MET A 111 7.853 -0.566 3.301 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.622 -0.673 3.138 1.00 0.67 H new ATOM 1873 N LEU A 112 11.245 -4.714 2.701 1.00 0.36 N ATOM 1874 CA LEU A 112 12.610 -5.020 2.302 1.00 0.34 C ATOM 1875 C LEU A 112 12.772 -6.518 2.087 1.00 0.37 C ATOM 1876 O LEU A 112 13.363 -6.955 1.103 1.00 0.42 O ATOM 1877 CB LEU A 112 13.593 -4.547 3.369 1.00 0.35 C ATOM 1878 CG LEU A 112 15.000 -4.242 2.862 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.984 -2.989 2.007 1.00 0.39 C ATOM 1880 CD2 LEU A 112 15.957 -4.083 4.022 1.00 0.46 C ATOM 0 H LEU A 112 11.162 -4.311 3.634 1.00 0.36 H new ATOM 0 HA LEU A 112 12.821 -4.499 1.368 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.191 -3.650 3.840 1.00 0.35 H new ATOM 0 HB3 LEU A 112 13.660 -5.311 4.144 1.00 0.35 H new ATOM 0 HG LEU A 112 15.342 -5.077 2.250 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.992 -2.779 1.650 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.321 -3.138 1.155 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.627 -2.148 2.601 1.00 0.39 H new ATOM 0 HD21 LEU A 112 16.956 -3.866 3.643 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.624 -3.263 4.658 1.00 0.46 H new ATOM 0 HD23 LEU A 112 15.982 -5.005 4.602 1.00 0.46 H new ATOM 1892 N MET A 113 12.228 -7.292 3.022 1.00 0.39 N ATOM 1893 CA MET A 113 12.233 -8.750 2.931 1.00 0.46 C ATOM 1894 C MET A 113 11.595 -9.192 1.624 1.00 0.49 C ATOM 1895 O MET A 113 12.099 -10.073 0.932 1.00 0.56 O ATOM 1896 CB MET A 113 11.471 -9.340 4.122 1.00 0.55 C ATOM 1897 CG MET A 113 11.423 -10.864 4.151 1.00 0.61 C ATOM 1898 SD MET A 113 10.050 -11.544 3.194 1.00 0.98 S ATOM 1899 CE MET A 113 8.658 -10.875 4.102 1.00 1.34 C ATOM 0 H MET A 113 11.773 -6.929 3.860 1.00 0.39 H new ATOM 0 HA MET A 113 13.262 -9.110 2.954 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.933 -8.986 5.044 1.00 0.55 H new ATOM 0 HB3 MET A 113 10.450 -8.957 4.110 1.00 0.55 H new ATOM 0 HG2 MET A 113 12.361 -11.259 3.762 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.340 -11.200 5.185 1.00 0.61 H new ATOM 0 HE1 MET A 113 7.812 -11.557 4.025 1.00 1.34 H new ATOM 0 HE2 MET A 113 8.932 -10.753 5.150 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.383 -9.907 3.684 1.00 1.34 H new ATOM 1909 N THR A 114 10.491 -8.545 1.295 1.00 0.47 N ATOM 1910 CA THR A 114 9.762 -8.821 0.075 1.00 0.50 C ATOM 1911 C THR A 114 10.624 -8.558 -1.165 1.00 0.46 C ATOM 1912 O THR A 114 10.610 -9.341 -2.116 1.00 0.49 O ATOM 1913 CB THR A 114 8.492 -7.954 0.016 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.604 -8.300 1.088 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.773 -8.108 -1.316 1.00 0.60 C ATOM 0 H THR A 114 10.076 -7.812 1.870 1.00 0.47 H new ATOM 0 HA THR A 114 9.488 -9.876 0.080 1.00 0.50 H new ATOM 0 HB THR A 114 8.798 -6.913 0.119 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.960 -7.953 1.933 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.881 -7.482 -1.322 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.437 -7.803 -2.125 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.486 -9.150 -1.456 1.00 0.60 H new ATOM 1923 N ILE A 115 11.394 -7.476 -1.135 1.00 0.43 N ATOM 1924 CA ILE A 115 12.168 -7.050 -2.296 1.00 0.41 C ATOM 1925 C ILE A 115 13.443 -7.874 -2.450 1.00 0.42 C ATOM 1926 O ILE A 115 13.747 -8.361 -3.541 1.00 0.43 O ATOM 1927 CB ILE A 115 12.546 -5.556 -2.202 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.288 -4.697 -2.055 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.341 -5.131 -3.429 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.574 -3.232 -1.807 1.00 0.44 C ATOM 0 H ILE A 115 11.499 -6.876 -0.317 1.00 0.43 H new ATOM 0 HA ILE A 115 11.533 -7.207 -3.168 1.00 0.41 H new ATOM 0 HB ILE A 115 13.169 -5.410 -1.320 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.687 -4.792 -2.959 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.689 -5.085 -1.231 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.600 -4.075 -3.347 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.253 -5.724 -3.495 1.00 0.42 H new ATOM 0 HG23 ILE A 115 12.740 -5.289 -4.325 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.634 -2.688 -1.714 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.148 -3.124 -0.887 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.146 -2.827 -2.641 1.00 0.44 H new ATOM 1942 N CYS A 116 14.180 -8.041 -1.357 1.00 0.43 N ATOM 1943 CA CYS A 116 15.456 -8.745 -1.400 1.00 0.47 C ATOM 1944 C CYS A 116 15.242 -10.207 -1.787 1.00 0.50 C ATOM 1945 O CYS A 116 16.091 -10.829 -2.433 1.00 0.53 O ATOM 1946 CB CYS A 116 16.166 -8.645 -0.047 1.00 0.51 C ATOM 1947 SG CYS A 116 15.348 -9.546 1.288 1.00 1.56 S ATOM 0 H CYS A 116 13.916 -7.699 -0.433 1.00 0.43 H new ATOM 0 HA CYS A 116 16.087 -8.277 -2.155 1.00 0.47 H new ATOM 0 HB2 CYS A 116 17.183 -9.022 -0.155 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.243 -7.594 0.233 1.00 0.51 H new ATOM 0 HG CYS A 116 15.805 -10.762 1.334 1.00 1.56 H new ATOM 1953 N ALA A 117 14.082 -10.738 -1.410 1.00 0.50 N ATOM 1954 CA ALA A 117 13.716 -12.109 -1.729 1.00 0.54 C ATOM 1955 C ALA A 117 13.541 -12.302 -3.232 1.00 0.54 C ATOM 1956 O ALA A 117 13.705 -13.410 -3.743 1.00 0.58 O ATOM 1957 CB ALA A 117 12.442 -12.498 -0.996 1.00 0.57 C ATOM 0 H ALA A 117 13.375 -10.231 -0.878 1.00 0.50 H new ATOM 0 HA ALA A 117 14.528 -12.758 -1.400 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.179 -13.526 -1.244 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.600 -12.413 0.079 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.632 -11.834 -1.297 1.00 0.57 H new ATOM 1963 N ARG A 118 13.215 -11.222 -3.938 1.00 0.50 N ATOM 1964 CA ARG A 118 13.025 -11.286 -5.384 1.00 0.51 C ATOM 1965 C ARG A 118 14.354 -11.515 -6.081 1.00 0.52 C ATOM 1966 O ARG A 118 14.424 -12.194 -7.104 1.00 0.55 O ATOM 1967 CB ARG A 118 12.380 -10.004 -5.922 1.00 0.49 C ATOM 1968 CG ARG A 118 11.073 -9.642 -5.235 1.00 0.49 C ATOM 1969 CD ARG A 118 10.056 -10.776 -5.301 1.00 0.58 C ATOM 1970 NE ARG A 118 9.729 -11.152 -6.677 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.854 -12.104 -7.006 1.00 1.16 C ATOM 1972 NH1 ARG A 118 8.175 -12.744 -6.060 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.643 -12.398 -8.282 1.00 1.75 N ATOM 0 H ARG A 118 13.077 -10.296 -3.534 1.00 0.50 H new ATOM 0 HA ARG A 118 12.356 -12.121 -5.590 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.082 -9.178 -5.806 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.198 -10.120 -6.991 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.269 -9.392 -4.192 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.653 -8.751 -5.703 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.450 -11.645 -4.774 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.145 -10.474 -4.783 1.00 0.58 H new ATOM 0 HE ARG A 118 10.200 -10.655 -7.433 1.00 0.84 H new ATOM 0 HH11 ARG A 118 8.322 -12.508 -5.079 1.00 1.23 H new ATOM 0 HH12 ARG A 118 7.507 -13.471 -6.315 1.00 1.23 H new ATOM 0 HH21 ARG A 118 9.150 -11.896 -9.011 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.974 -13.126 -8.534 1.00 1.75 H new ATOM 1987 N ILE A 119 15.410 -10.940 -5.525 1.00 0.52 N ATOM 1988 CA ILE A 119 16.745 -11.105 -6.079 1.00 0.54 C ATOM 1989 C ILE A 119 17.318 -12.444 -5.650 1.00 0.58 C ATOM 1990 O ILE A 119 17.958 -13.149 -6.432 1.00 0.66 O ATOM 1991 CB ILE A 119 17.705 -9.997 -5.594 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.967 -8.666 -5.433 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.863 -9.844 -6.567 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.408 -8.113 -6.726 1.00 0.69 C ATOM 0 H ILE A 119 15.368 -10.355 -4.690 1.00 0.52 H new ATOM 0 HA ILE A 119 16.655 -11.048 -7.164 1.00 0.54 H new ATOM 0 HB ILE A 119 18.098 -10.287 -4.620 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.151 -8.798 -4.723 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.649 -7.934 -5.001 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.533 -9.060 -6.215 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.409 -10.785 -6.634 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.478 -9.577 -7.551 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.900 -7.169 -6.529 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.221 -7.947 -7.432 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.699 -8.825 -7.150 1.00 0.69 H new ATOM 2006 N GLY A 120 17.073 -12.789 -4.396 1.00 0.57 N ATOM 2007 CA GLY A 120 17.609 -14.012 -3.844 1.00 0.62 C ATOM 2008 C GLY A 120 18.468 -13.752 -2.626 1.00 0.64 C ATOM 2009 O GLY A 120 19.458 -14.444 -2.387 1.00 0.70 O ATOM 0 H GLY A 120 16.509 -12.239 -3.748 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.790 -14.679 -3.575 1.00 0.62 H new ATOM 0 HA3 GLY A 120 18.201 -14.524 -4.603 1.00 0.62 H new ATOM 2013 N ILE A 121 18.094 -12.740 -1.862 1.00 0.66 N ATOM 2014 CA ILE A 121 18.825 -12.369 -0.663 1.00 0.71 C ATOM 2015 C ILE A 121 17.989 -12.703 0.570 1.00 0.82 C ATOM 2016 O ILE A 121 16.929 -12.111 0.782 1.00 1.54 O ATOM 2017 CB ILE A 121 19.155 -10.860 -0.664 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.695 -10.421 -2.030 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.162 -10.541 0.428 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.879 -8.922 -2.163 1.00 0.56 C ATOM 0 H ILE A 121 17.280 -12.156 -2.054 1.00 0.66 H new ATOM 0 HA ILE A 121 19.759 -12.930 -0.642 1.00 0.71 H new ATOM 0 HB ILE A 121 18.236 -10.309 -0.467 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.652 -10.912 -2.207 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.012 -10.764 -2.807 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.386 -9.474 0.416 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.746 -10.814 1.398 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.078 -11.106 0.255 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.264 -8.689 -3.156 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.920 -8.424 -2.019 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.585 -8.574 -1.409 1.00 0.56 H new ATOM 2032 N THR A 122 18.451 -13.656 1.370 1.00 0.96 N ATOM 2033 CA THR A 122 17.681 -14.099 2.524 1.00 1.00 C ATOM 2034 C THR A 122 17.973 -13.218 3.742 1.00 0.90 C ATOM 2035 O THR A 122 17.105 -13.010 4.593 1.00 1.04 O ATOM 2036 CB THR A 122 17.940 -15.592 2.850 1.00 1.18 C ATOM 2037 OG1 THR A 122 16.963 -16.070 3.784 1.00 1.55 O ATOM 2038 CG2 THR A 122 19.338 -15.815 3.414 1.00 1.65 C ATOM 0 H THR A 122 19.344 -14.132 1.243 1.00 0.96 H new ATOM 0 HA THR A 122 16.626 -13.999 2.270 1.00 1.00 H new ATOM 0 HB THR A 122 17.861 -16.149 1.916 1.00 1.18 H new ATOM 0 HG1 THR A 122 17.134 -17.014 3.982 1.00 1.55 H new ATOM 0 HG21 THR A 122 19.479 -16.874 3.629 1.00 1.65 H new ATOM 0 HG22 THR A 122 20.080 -15.491 2.685 1.00 1.65 H new ATOM 0 HG23 THR A 122 19.456 -15.240 4.332 1.00 1.65 H new ATOM 2046 N ASN A 123 19.188 -12.688 3.817 1.00 0.91 N ATOM 2047 CA ASN A 123 19.529 -11.726 4.853 1.00 0.87 C ATOM 2048 C ASN A 123 19.059 -10.347 4.428 1.00 0.77 C ATOM 2049 O ASN A 123 19.480 -9.830 3.400 1.00 1.05 O ATOM 2050 CB ASN A 123 21.040 -11.710 5.158 1.00 1.10 C ATOM 2051 CG ASN A 123 21.921 -11.529 3.930 1.00 1.31 C ATOM 2052 OD1 ASN A 123 21.615 -12.022 2.842 1.00 2.13 O ATOM 2053 ND2 ASN A 123 23.030 -10.828 4.099 1.00 1.50 N ATOM 0 H ASN A 123 19.949 -12.908 3.175 1.00 0.91 H new ATOM 0 HA ASN A 123 19.025 -12.024 5.772 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.249 -10.905 5.863 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.310 -12.644 5.651 1.00 1.10 H new ATOM 0 HD21 ASN A 123 23.665 -10.680 3.314 1.00 1.50 H new ATOM 0 HD22 ASN A 123 23.250 -10.435 5.014 1.00 1.50 H new ATOM 2060 N HIS A 124 18.163 -9.762 5.200 1.00 0.61 N ATOM 2061 CA HIS A 124 17.586 -8.478 4.833 1.00 0.59 C ATOM 2062 C HIS A 124 17.648 -7.490 5.989 1.00 0.57 C ATOM 2063 O HIS A 124 17.298 -6.323 5.836 1.00 0.66 O ATOM 2064 CB HIS A 124 16.138 -8.645 4.357 1.00 0.63 C ATOM 2065 CG HIS A 124 15.205 -9.188 5.394 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.380 -8.389 6.151 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.956 -10.460 5.787 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.663 -9.140 6.960 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.992 -10.402 6.761 1.00 0.66 N ATOM 0 H HIS A 124 17.820 -10.150 6.079 1.00 0.61 H new ATOM 0 HA HIS A 124 18.180 -8.077 4.012 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.765 -7.678 4.021 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.127 -9.309 3.492 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.428 -11.353 5.405 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.929 -8.783 7.667 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.595 -11.203 7.251 1.00 0.66 H new ATOM 2078 N ASP A 125 18.107 -7.954 7.139 1.00 0.62 N ATOM 2079 CA ASP A 125 18.204 -7.106 8.311 1.00 0.72 C ATOM 2080 C ASP A 125 19.400 -6.179 8.169 1.00 0.64 C ATOM 2081 O ASP A 125 19.454 -5.112 8.776 1.00 0.66 O ATOM 2082 CB ASP A 125 18.348 -7.957 9.577 1.00 0.97 C ATOM 2083 CG ASP A 125 19.665 -8.708 9.632 1.00 1.54 C ATOM 2084 OD1 ASP A 125 19.902 -9.567 8.754 1.00 2.14 O ATOM 2085 OD2 ASP A 125 20.465 -8.443 10.553 1.00 2.11 O ATOM 0 H ASP A 125 18.418 -8.914 7.284 1.00 0.62 H new ATOM 0 HA ASP A 125 17.293 -6.513 8.395 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.264 -7.314 10.453 1.00 0.97 H new ATOM 0 HB3 ASP A 125 17.525 -8.671 9.626 1.00 0.97 H new ATOM 2090 N GLU A 126 20.340 -6.584 7.321 1.00 0.62 N ATOM 2091 CA GLU A 126 21.583 -5.854 7.146 1.00 0.62 C ATOM 2092 C GLU A 126 21.399 -4.665 6.218 1.00 0.52 C ATOM 2093 O GLU A 126 22.294 -3.833 6.075 1.00 0.61 O ATOM 2094 CB GLU A 126 22.667 -6.784 6.604 1.00 0.76 C ATOM 2095 CG GLU A 126 22.932 -7.977 7.503 1.00 1.19 C ATOM 2096 CD GLU A 126 24.079 -8.829 7.018 1.00 1.84 C ATOM 2097 OE1 GLU A 126 25.248 -8.404 7.168 1.00 2.27 O ATOM 2098 OE2 GLU A 126 23.817 -9.933 6.504 1.00 2.30 O ATOM 0 H GLU A 126 20.260 -7.420 6.742 1.00 0.62 H new ATOM 0 HA GLU A 126 21.891 -5.475 8.120 1.00 0.62 H new ATOM 0 HB2 GLU A 126 22.372 -7.139 5.617 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.591 -6.220 6.477 1.00 0.76 H new ATOM 0 HG2 GLU A 126 23.147 -7.625 8.512 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.031 -8.588 7.564 1.00 1.19 H new ATOM 2105 N TYR A 127 20.234 -4.576 5.602 1.00 0.43 N ATOM 2106 CA TYR A 127 19.970 -3.516 4.649 1.00 0.38 C ATOM 2107 C TYR A 127 19.000 -2.502 5.215 1.00 0.39 C ATOM 2108 O TYR A 127 18.137 -2.826 6.031 1.00 0.42 O ATOM 2109 CB TYR A 127 19.400 -4.081 3.352 1.00 0.36 C ATOM 2110 CG TYR A 127 20.264 -5.136 2.728 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.452 -4.808 2.102 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.890 -6.463 2.774 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.248 -5.777 1.535 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.676 -7.442 2.215 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.857 -7.098 1.594 1.00 0.43 C ATOM 2116 OH TYR A 127 22.648 -8.075 1.035 1.00 0.49 O ATOM 0 H TYR A 127 19.459 -5.223 5.745 1.00 0.43 H new ATOM 0 HA TYR A 127 20.920 -3.024 4.442 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.414 -4.501 3.550 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.263 -3.267 2.640 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.761 -3.774 2.057 1.00 0.38 H new ATOM 0 HD2 TYR A 127 18.964 -6.737 3.257 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.172 -5.505 1.047 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.369 -8.476 2.262 1.00 0.43 H new ATOM 0 HH TYR A 127 22.364 -8.953 1.364 1.00 0.49 H new ATOM 2126 N SER A 128 19.157 -1.273 4.789 1.00 0.40 N ATOM 2127 CA SER A 128 18.214 -0.228 5.111 1.00 0.42 C ATOM 2128 C SER A 128 17.680 0.355 3.818 1.00 0.41 C ATOM 2129 O SER A 128 18.423 0.509 2.848 1.00 0.54 O ATOM 2130 CB SER A 128 18.884 0.855 5.958 1.00 0.47 C ATOM 2131 OG SER A 128 19.473 0.294 7.120 1.00 1.13 O ATOM 0 H SER A 128 19.940 -0.968 4.211 1.00 0.40 H new ATOM 0 HA SER A 128 17.390 -0.640 5.694 1.00 0.42 H new ATOM 0 HB2 SER A 128 19.646 1.364 5.368 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.148 1.606 6.244 1.00 0.47 H new ATOM 0 HG SER A 128 19.897 1.003 7.647 1.00 1.13 H new ATOM 2137 N LEU A 129 16.395 0.647 3.790 1.00 0.42 N ATOM 2138 CA LEU A 129 15.783 1.169 2.587 1.00 0.42 C ATOM 2139 C LEU A 129 16.063 2.659 2.506 1.00 0.43 C ATOM 2140 O LEU A 129 15.953 3.357 3.497 1.00 0.48 O ATOM 2141 CB LEU A 129 14.275 0.895 2.603 1.00 0.43 C ATOM 2142 CG LEU A 129 13.632 0.613 1.236 1.00 0.45 C ATOM 2143 CD1 LEU A 129 12.178 0.207 1.407 1.00 1.33 C ATOM 2144 CD2 LEU A 129 13.733 1.818 0.314 1.00 1.13 C ATOM 0 H LEU A 129 15.760 0.533 4.580 1.00 0.42 H new ATOM 0 HA LEU A 129 16.202 0.677 1.709 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.087 0.042 3.255 1.00 0.43 H new ATOM 0 HB3 LEU A 129 13.773 1.754 3.049 1.00 0.43 H new ATOM 0 HG LEU A 129 14.180 -0.210 0.777 1.00 0.45 H new ATOM 0 HD11 LEU A 129 11.738 0.011 0.429 1.00 1.33 H new ATOM 0 HD12 LEU A 129 12.121 -0.694 2.018 1.00 1.33 H new ATOM 0 HD13 LEU A 129 11.631 1.012 1.897 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.268 1.583 -0.644 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.221 2.667 0.767 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.782 2.069 0.157 1.00 1.13 H new ATOM 2156 N VAL A 130 16.436 3.137 1.343 1.00 0.42 N ATOM 2157 CA VAL A 130 16.717 4.551 1.169 1.00 0.46 C ATOM 2158 C VAL A 130 16.028 5.056 -0.088 1.00 0.46 C ATOM 2159 O VAL A 130 16.325 4.622 -1.198 1.00 0.45 O ATOM 2160 CB VAL A 130 18.243 4.829 1.145 1.00 0.48 C ATOM 2161 CG1 VAL A 130 18.983 3.679 0.509 1.00 0.49 C ATOM 2162 CG2 VAL A 130 18.584 6.123 0.422 1.00 0.60 C ATOM 0 H VAL A 130 16.553 2.573 0.501 1.00 0.42 H new ATOM 0 HA VAL A 130 16.319 5.098 2.024 1.00 0.46 H new ATOM 0 HB VAL A 130 18.559 4.936 2.183 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.052 3.893 0.502 1.00 0.49 H new ATOM 0 HG12 VAL A 130 18.799 2.768 1.079 1.00 0.49 H new ATOM 0 HG13 VAL A 130 18.633 3.543 -0.514 1.00 0.49 H new ATOM 0 HG21 VAL A 130 19.664 6.272 0.433 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.236 6.066 -0.609 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.097 6.959 0.924 1.00 0.60 H new ATOM 2172 N ARG A 131 15.081 5.952 0.103 1.00 0.48 N ATOM 2173 CA ARG A 131 14.264 6.435 -0.988 1.00 0.50 C ATOM 2174 C ARG A 131 14.718 7.813 -1.437 1.00 0.57 C ATOM 2175 O ARG A 131 14.419 8.818 -0.785 1.00 0.64 O ATOM 2176 CB ARG A 131 12.814 6.530 -0.533 1.00 0.54 C ATOM 2177 CG ARG A 131 12.321 5.318 0.229 1.00 0.51 C ATOM 2178 CD ARG A 131 10.888 5.515 0.675 1.00 0.62 C ATOM 2179 NE ARG A 131 9.963 5.523 -0.457 1.00 0.96 N ATOM 2180 CZ ARG A 131 8.986 4.633 -0.629 1.00 1.65 C ATOM 2181 NH1 ARG A 131 8.801 3.664 0.264 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.183 4.720 -1.685 1.00 2.01 N ATOM 0 H ARG A 131 14.858 6.362 1.010 1.00 0.48 H new ATOM 0 HA ARG A 131 14.361 5.737 -1.820 1.00 0.50 H new ATOM 0 HB2 ARG A 131 12.700 7.412 0.097 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.180 6.678 -1.407 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.393 4.432 -0.401 1.00 0.51 H new ATOM 0 HG3 ARG A 131 12.957 5.144 1.097 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.610 4.719 1.366 1.00 0.62 H new ATOM 0 HD3 ARG A 131 10.803 6.455 1.220 1.00 0.62 H new ATOM 0 HE ARG A 131 10.072 6.255 -1.159 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.407 3.602 1.082 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.053 2.984 0.131 1.00 2.18 H new ATOM 0 HH21 ARG A 131 8.314 5.469 -2.365 1.00 2.01 H new ATOM 0 HH22 ARG A 131 7.436 4.038 -1.815 1.00 2.01 H new ATOM 2196 N GLU A 132 15.419 7.868 -2.550 1.00 0.58 N ATOM 2197 CA GLU A 132 15.754 9.142 -3.145 1.00 0.66 C ATOM 2198 C GLU A 132 14.522 9.709 -3.827 1.00 0.73 C ATOM 2199 O GLU A 132 14.157 9.285 -4.931 1.00 0.74 O ATOM 2200 CB GLU A 132 16.905 9.004 -4.146 1.00 0.68 C ATOM 2201 CG GLU A 132 18.234 8.624 -3.516 1.00 0.64 C ATOM 2202 CD GLU A 132 19.377 8.666 -4.511 1.00 0.72 C ATOM 2203 OE1 GLU A 132 19.425 7.804 -5.411 1.00 0.90 O ATOM 2204 OE2 GLU A 132 20.235 9.570 -4.401 1.00 1.05 O ATOM 0 H GLU A 132 15.765 7.053 -3.056 1.00 0.58 H new ATOM 0 HA GLU A 132 16.086 9.821 -2.360 1.00 0.66 H new ATOM 0 HB2 GLU A 132 16.639 8.251 -4.888 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.024 9.948 -4.678 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.449 9.303 -2.691 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.160 7.622 -3.094 1.00 0.64 H new ATOM 2211 N LEU A 133 13.853 10.639 -3.157 1.00 0.80 N ATOM 2212 CA LEU A 133 12.593 11.142 -3.673 1.00 0.87 C ATOM 2213 C LEU A 133 12.742 12.534 -4.257 1.00 0.97 C ATOM 2214 O LEU A 133 13.837 13.091 -4.325 1.00 1.02 O ATOM 2215 CB LEU A 133 11.522 11.169 -2.581 1.00 0.92 C ATOM 2216 CG LEU A 133 11.370 9.878 -1.774 1.00 0.87 C ATOM 2217 CD1 LEU A 133 10.234 10.009 -0.771 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.130 8.693 -2.692 1.00 0.80 C ATOM 0 H LEU A 133 14.156 11.051 -2.274 1.00 0.80 H new ATOM 0 HA LEU A 133 12.285 10.460 -4.466 1.00 0.87 H new ATOM 0 HB2 LEU A 133 11.751 11.982 -1.892 1.00 0.92 H new ATOM 0 HB3 LEU A 133 10.563 11.403 -3.043 1.00 0.92 H new ATOM 0 HG LEU A 133 12.298 9.706 -1.229 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.139 9.082 -0.205 1.00 0.97 H new ATOM 0 HD12 LEU A 133 10.445 10.831 -0.087 1.00 0.97 H new ATOM 0 HD13 LEU A 133 9.302 10.208 -1.301 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.025 7.786 -2.096 1.00 0.80 H new ATOM 0 HD22 LEU A 133 10.219 8.857 -3.267 1.00 0.80 H new ATOM 0 HD23 LEU A 133 11.974 8.584 -3.373 1.00 0.80 H new ATOM 2230 N MET A 134 11.610 13.079 -4.658 1.00 1.04 N ATOM 2231 CA MET A 134 11.522 14.421 -5.213 1.00 1.15 C ATOM 2232 C MET A 134 11.073 15.384 -4.129 1.00 1.22 C ATOM 2233 O MET A 134 10.804 16.556 -4.389 1.00 1.29 O ATOM 2234 CB MET A 134 10.525 14.423 -6.376 1.00 1.27 C ATOM 2235 CG MET A 134 9.199 13.748 -6.036 1.00 1.36 C ATOM 2236 SD MET A 134 8.150 14.733 -4.944 1.00 1.80 S ATOM 2237 CE MET A 134 6.834 13.571 -4.589 1.00 2.03 C ATOM 0 H MET A 134 10.712 12.598 -4.608 1.00 1.04 H new ATOM 0 HA MET A 134 12.497 14.737 -5.583 1.00 1.15 H new ATOM 0 HB2 MET A 134 10.333 15.452 -6.679 1.00 1.27 H new ATOM 0 HB3 MET A 134 10.974 13.917 -7.231 1.00 1.27 H new ATOM 0 HG2 MET A 134 8.657 13.543 -6.959 1.00 1.36 H new ATOM 0 HG3 MET A 134 9.400 12.786 -5.564 1.00 1.36 H new ATOM 0 HE1 MET A 134 6.107 14.037 -3.924 1.00 2.03 H new ATOM 0 HE2 MET A 134 6.343 13.282 -5.518 1.00 2.03 H new ATOM 0 HE3 MET A 134 7.250 12.686 -4.108 1.00 2.03 H new ATOM 2247 N GLU A 135 11.004 14.844 -2.915 1.00 1.27 N ATOM 2248 CA GLU A 135 10.494 15.540 -1.740 1.00 1.39 C ATOM 2249 C GLU A 135 10.957 16.985 -1.654 1.00 1.41 C ATOM 2250 O GLU A 135 12.147 17.263 -1.519 1.00 1.45 O ATOM 2251 CB GLU A 135 10.929 14.796 -0.487 1.00 1.48 C ATOM 2252 CG GLU A 135 9.819 14.008 0.163 1.00 1.58 C ATOM 2253 CD GLU A 135 8.803 14.921 0.805 1.00 1.83 C ATOM 2254 OE1 GLU A 135 9.174 16.057 1.165 1.00 2.04 O ATOM 2255 OE2 GLU A 135 7.642 14.502 0.966 1.00 2.29 O ATOM 0 H GLU A 135 11.308 13.890 -2.718 1.00 1.27 H new ATOM 0 HA GLU A 135 9.408 15.558 -1.826 1.00 1.39 H new ATOM 0 HB2 GLU A 135 11.744 14.118 -0.741 1.00 1.48 H new ATOM 0 HB3 GLU A 135 11.324 15.513 0.233 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.329 13.382 -0.583 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.237 13.339 0.915 1.00 1.58 H new ATOM 2262 N GLU A 136 9.999 17.895 -1.728 1.00 1.46 N ATOM 2263 CA GLU A 136 10.276 19.313 -1.616 1.00 1.52 C ATOM 2264 C GLU A 136 10.258 19.758 -0.156 1.00 1.52 C ATOM 2265 O GLU A 136 10.759 20.831 0.179 1.00 1.59 O ATOM 2266 CB GLU A 136 9.236 20.098 -2.408 1.00 1.67 C ATOM 2267 CG GLU A 136 7.835 20.014 -1.826 1.00 1.73 C ATOM 2268 CD GLU A 136 6.835 20.830 -2.610 1.00 1.93 C ATOM 2269 OE1 GLU A 136 6.672 22.029 -2.304 1.00 2.12 O ATOM 2270 OE2 GLU A 136 6.206 20.276 -3.536 1.00 1.99 O ATOM 0 H GLU A 136 9.014 17.671 -1.867 1.00 1.46 H new ATOM 0 HA GLU A 136 11.270 19.506 -2.020 1.00 1.52 H new ATOM 0 HB2 GLU A 136 9.539 21.144 -2.453 1.00 1.67 H new ATOM 0 HB3 GLU A 136 9.217 19.728 -3.433 1.00 1.67 H new ATOM 0 HG2 GLU A 136 7.514 18.972 -1.807 1.00 1.73 H new ATOM 0 HG3 GLU A 136 7.852 20.361 -0.793 1.00 1.73 H new ATOM 2277 N LYS A 137 9.685 18.928 0.707 1.00 1.53 N ATOM 2278 CA LYS A 137 9.511 19.295 2.104 1.00 1.61 C ATOM 2279 C LYS A 137 10.669 18.769 2.932 1.00 1.55 C ATOM 2280 O LYS A 137 11.338 19.519 3.643 1.00 1.63 O ATOM 2281 CB LYS A 137 8.191 18.740 2.645 1.00 1.72 C ATOM 2282 CG LYS A 137 6.982 19.095 1.798 1.00 1.83 C ATOM 2283 CD LYS A 137 5.693 18.657 2.470 1.00 2.14 C ATOM 2284 CE LYS A 137 4.487 18.894 1.575 1.00 2.31 C ATOM 2285 NZ LYS A 137 3.209 18.700 2.308 1.00 2.98 N ATOM 0 H LYS A 137 9.335 18.001 0.464 1.00 1.53 H new ATOM 0 HA LYS A 137 9.488 20.383 2.173 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.266 17.655 2.717 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.037 19.116 3.656 1.00 1.72 H new ATOM 0 HG2 LYS A 137 6.958 20.171 1.626 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.066 18.618 0.821 1.00 1.83 H new ATOM 0 HD2 LYS A 137 5.756 17.599 2.724 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.566 19.203 3.405 1.00 2.14 H new ATOM 0 HE2 LYS A 137 4.526 19.907 1.174 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.526 18.213 0.725 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 2.410 18.870 1.664 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 3.161 17.726 2.670 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 3.161 19.368 3.104 1.00 2.98 H new ATOM 2299 N LYS A 138 10.900 17.471 2.833 1.00 1.47 N ATOM 2300 CA LYS A 138 12.004 16.837 3.535 1.00 1.45 C ATOM 2301 C LYS A 138 13.292 17.026 2.763 1.00 1.34 C ATOM 2302 O LYS A 138 14.287 17.520 3.292 1.00 1.43 O ATOM 2303 CB LYS A 138 11.743 15.341 3.699 1.00 1.48 C ATOM 2304 CG LYS A 138 10.490 15.027 4.484 1.00 1.52 C ATOM 2305 CD LYS A 138 10.296 13.527 4.638 1.00 1.58 C ATOM 2306 CE LYS A 138 9.478 12.947 3.498 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.086 13.477 3.484 1.00 1.76 N ATOM 0 H LYS A 138 10.336 16.833 2.271 1.00 1.47 H new ATOM 0 HA LYS A 138 12.092 17.301 4.517 1.00 1.45 H new ATOM 0 HB2 LYS A 138 11.668 14.884 2.712 1.00 1.48 H new ATOM 0 HB3 LYS A 138 12.598 14.884 4.198 1.00 1.48 H new ATOM 0 HG2 LYS A 138 10.549 15.491 5.468 1.00 1.52 H new ATOM 0 HG3 LYS A 138 9.625 15.458 3.980 1.00 1.52 H new ATOM 0 HD2 LYS A 138 11.269 13.036 4.675 1.00 1.58 H new ATOM 0 HD3 LYS A 138 9.798 13.320 5.585 1.00 1.58 H new ATOM 0 HE2 LYS A 138 9.963 13.178 2.550 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.452 11.861 3.587 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 7.781 13.625 2.501 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 7.450 12.795 3.945 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.054 14.382 3.996 1.00 1.76 H new ATOM 2321 N ASP A 169 13.232 16.638 1.497 1.00 1.23 N ATOM 2322 CA ASP A 169 14.388 16.590 0.619 1.00 1.18 C ATOM 2323 C ASP A 169 15.475 15.743 1.240 1.00 1.11 C ATOM 2324 O ASP A 169 16.443 16.247 1.812 1.00 1.30 O ATOM 2325 CB ASP A 169 14.905 17.994 0.277 1.00 1.35 C ATOM 2326 CG ASP A 169 16.100 17.964 -0.658 1.00 1.44 C ATOM 2327 OD1 ASP A 169 15.932 17.557 -1.829 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.207 18.358 -0.232 1.00 1.59 O ATOM 0 H ASP A 169 12.366 16.344 1.046 1.00 1.23 H new ATOM 0 HA ASP A 169 14.080 16.131 -0.320 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.103 18.571 -0.183 1.00 1.35 H new ATOM 0 HB3 ASP A 169 15.181 18.510 1.197 1.00 1.35 H new ATOM 2333 N GLU A 170 15.277 14.440 1.157 1.00 0.96 N ATOM 2334 CA GLU A 170 16.177 13.493 1.782 1.00 0.90 C ATOM 2335 C GLU A 170 16.320 12.229 0.950 1.00 0.78 C ATOM 2336 O GLU A 170 15.563 11.982 -0.012 1.00 0.77 O ATOM 2337 CB GLU A 170 15.682 13.110 3.181 1.00 0.98 C ATOM 2338 CG GLU A 170 15.705 14.245 4.190 1.00 1.24 C ATOM 2339 CD GLU A 170 15.257 13.794 5.562 1.00 1.90 C ATOM 2340 OE1 GLU A 170 14.042 13.831 5.840 1.00 2.57 O ATOM 2341 OE2 GLU A 170 16.114 13.386 6.367 1.00 2.27 O ATOM 0 H GLU A 170 14.496 14.013 0.659 1.00 0.96 H new ATOM 0 HA GLU A 170 17.148 13.982 1.858 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.663 12.732 3.101 1.00 0.98 H new ATOM 0 HB3 GLU A 170 16.296 12.292 3.559 1.00 0.98 H new ATOM 0 HG2 GLU A 170 16.714 14.652 4.254 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.057 15.051 3.844 1.00 1.24 H new ATOM 2348 N LEU A 171 17.299 11.432 1.347 1.00 0.73 N ATOM 2349 CA LEU A 171 17.493 10.113 0.787 1.00 0.67 C ATOM 2350 C LEU A 171 16.493 9.160 1.395 1.00 0.62 C ATOM 2351 O LEU A 171 16.405 8.021 0.985 1.00 0.57 O ATOM 2352 CB LEU A 171 18.904 9.608 1.076 1.00 0.71 C ATOM 2353 CG LEU A 171 20.015 10.586 0.735 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.378 9.952 0.959 1.00 0.86 C ATOM 2355 CD2 LEU A 171 19.867 11.062 -0.697 1.00 0.74 C ATOM 0 H LEU A 171 17.978 11.685 2.065 1.00 0.73 H new ATOM 0 HA LEU A 171 17.352 10.168 -0.292 1.00 0.67 H new ATOM 0 HB2 LEU A 171 18.974 9.355 2.134 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.066 8.687 0.517 1.00 0.71 H new ATOM 0 HG LEU A 171 19.937 11.449 1.396 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.159 10.670 0.709 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.476 9.659 2.004 1.00 0.86 H new ATOM 0 HD13 LEU A 171 21.478 9.071 0.325 1.00 0.86 H new ATOM 0 HD21 LEU A 171 20.668 11.763 -0.932 1.00 0.74 H new ATOM 0 HD22 LEU A 171 19.922 10.208 -1.372 1.00 0.74 H new ATOM 0 HD23 LEU A 171 18.904 11.558 -0.818 1.00 0.74 H new ATOM 2367 N ASN A 172 15.768 9.640 2.400 1.00 0.65 N ATOM 2368 CA ASN A 172 14.740 8.854 3.073 1.00 0.63 C ATOM 2369 C ASN A 172 15.269 7.485 3.456 1.00 0.57 C ATOM 2370 O ASN A 172 14.923 6.480 2.833 1.00 0.53 O ATOM 2371 CB ASN A 172 13.493 8.701 2.195 1.00 0.65 C ATOM 2372 CG ASN A 172 12.687 9.977 2.087 1.00 0.75 C ATOM 2373 OD1 ASN A 172 11.852 10.279 2.940 1.00 0.90 O ATOM 2374 ND2 ASN A 172 12.901 10.709 1.011 1.00 0.80 N ATOM 0 H ASN A 172 15.876 10.584 2.771 1.00 0.65 H new ATOM 0 HA ASN A 172 14.462 9.391 3.980 1.00 0.63 H new ATOM 0 HB2 ASN A 172 13.795 8.383 1.197 1.00 0.65 H new ATOM 0 HB3 ASN A 172 12.862 7.912 2.604 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.364 11.563 0.860 1.00 0.80 H new ATOM 0 HD22 ASN A 172 13.603 10.421 0.330 1.00 0.80 H new ATOM 2381 N TRP A 173 16.098 7.439 4.483 1.00 0.58 N ATOM 2382 CA TRP A 173 16.688 6.191 4.914 1.00 0.55 C ATOM 2383 C TRP A 173 15.746 5.520 5.902 1.00 0.54 C ATOM 2384 O TRP A 173 15.776 5.802 7.103 1.00 0.61 O ATOM 2385 CB TRP A 173 18.051 6.442 5.564 1.00 0.60 C ATOM 2386 CG TRP A 173 19.191 6.523 4.596 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.582 7.614 3.880 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.103 5.471 4.258 1.00 0.64 C ATOM 2389 NE1 TRP A 173 20.677 7.307 3.114 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.015 5.996 3.324 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.235 4.136 4.649 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.045 5.235 2.780 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.256 3.381 4.108 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.150 3.932 3.182 1.00 0.79 C ATOM 0 H TRP A 173 16.376 8.252 5.032 1.00 0.58 H new ATOM 0 HA TRP A 173 16.840 5.541 4.053 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.004 7.372 6.131 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.252 5.643 6.278 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.100 8.580 3.911 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.162 7.951 2.489 1.00 0.78 H new ATOM 0 HE3 TRP A 173 19.550 3.702 5.362 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 22.736 5.658 2.066 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 21.367 2.348 4.404 1.00 0.73 H new ATOM 0 HH2 TRP A 173 22.939 3.315 2.777 1.00 0.79 H new ATOM 2405 N LEU A 174 14.882 4.665 5.379 1.00 0.49 N ATOM 2406 CA LEU A 174 13.878 3.994 6.179 1.00 0.49 C ATOM 2407 C LEU A 174 14.543 3.096 7.204 1.00 0.53 C ATOM 2408 O LEU A 174 15.222 2.124 6.851 1.00 0.56 O ATOM 2409 CB LEU A 174 12.945 3.157 5.310 1.00 0.48 C ATOM 2410 CG LEU A 174 12.283 3.866 4.130 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.150 3.003 3.605 1.00 0.52 C ATOM 2412 CD2 LEU A 174 11.780 5.249 4.520 1.00 0.54 C ATOM 0 H LEU A 174 14.859 4.419 4.389 1.00 0.49 H new ATOM 0 HA LEU A 174 13.290 4.761 6.684 1.00 0.49 H new ATOM 0 HB2 LEU A 174 13.510 2.309 4.923 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.159 2.752 5.947 1.00 0.48 H new ATOM 0 HG LEU A 174 13.024 4.009 3.344 1.00 0.50 H new ATOM 0 HD11 LEU A 174 10.672 3.503 2.762 1.00 0.52 H new ATOM 0 HD12 LEU A 174 11.546 2.041 3.280 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.417 2.845 4.396 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.315 5.724 3.656 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.047 5.157 5.322 1.00 0.54 H new ATOM 0 HD23 LEU A 174 12.617 5.858 4.862 1.00 0.54 H new ATOM 2424 N ASP A 175 14.308 3.407 8.466 1.00 0.61 N ATOM 2425 CA ASP A 175 14.998 2.749 9.564 1.00 0.72 C ATOM 2426 C ASP A 175 14.198 1.566 10.095 1.00 0.68 C ATOM 2427 O ASP A 175 14.428 1.092 11.206 1.00 0.75 O ATOM 2428 CB ASP A 175 15.283 3.754 10.682 1.00 0.93 C ATOM 2429 CG ASP A 175 16.317 3.247 11.664 1.00 1.83 C ATOM 2430 OD1 ASP A 175 17.410 2.827 11.224 1.00 2.56 O ATOM 2431 OD2 ASP A 175 16.032 3.250 12.880 1.00 2.37 O ATOM 0 H ASP A 175 13.638 4.118 8.759 1.00 0.61 H new ATOM 0 HA ASP A 175 15.944 2.362 9.187 1.00 0.72 H new ATOM 0 HB2 ASP A 175 15.629 4.691 10.245 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.357 3.973 11.214 1.00 0.93 H new ATOM 2436 N HIS A 176 13.268 1.081 9.277 1.00 0.66 N ATOM 2437 CA HIS A 176 12.480 -0.106 9.610 1.00 0.71 C ATOM 2438 C HIS A 176 11.625 0.137 10.844 1.00 0.83 C ATOM 2439 O HIS A 176 11.541 -0.713 11.728 1.00 1.10 O ATOM 2440 CB HIS A 176 13.393 -1.320 9.845 1.00 0.71 C ATOM 2441 CG HIS A 176 14.199 -1.708 8.649 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.706 -2.506 7.646 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.463 -1.392 8.289 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.627 -2.656 6.716 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.709 -1.996 7.079 1.00 0.69 N ATOM 0 H HIS A 176 13.039 1.494 8.373 1.00 0.66 H new ATOM 0 HA HIS A 176 11.825 -0.314 8.764 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.069 -1.100 10.671 1.00 0.71 H new ATOM 0 HB3 HIS A 176 12.782 -2.169 10.151 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.153 -0.778 8.849 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.514 -3.226 5.806 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.580 -1.943 6.552 1.00 0.69 H new ATOM 2454 N GLY A 177 10.974 1.288 10.890 1.00 0.82 N ATOM 2455 CA GLY A 177 10.189 1.622 12.060 1.00 0.96 C ATOM 2456 C GLY A 177 8.971 2.452 11.736 1.00 1.00 C ATOM 2457 O GLY A 177 7.931 2.314 12.378 1.00 1.34 O ATOM 0 H GLY A 177 10.974 1.989 10.149 1.00 0.82 H new ATOM 0 HA2 GLY A 177 9.874 0.703 12.554 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.815 2.166 12.767 1.00 0.96 H new ATOM 2461 N ARG A 178 9.087 3.312 10.735 1.00 0.90 N ATOM 2462 CA ARG A 178 8.000 4.216 10.400 1.00 0.99 C ATOM 2463 C ARG A 178 7.140 3.674 9.262 1.00 0.87 C ATOM 2464 O ARG A 178 7.652 3.099 8.298 1.00 0.86 O ATOM 2465 CB ARG A 178 8.549 5.599 10.045 1.00 1.22 C ATOM 2466 CG ARG A 178 7.479 6.557 9.557 1.00 1.27 C ATOM 2467 CD ARG A 178 7.880 8.004 9.755 1.00 1.18 C ATOM 2468 NE ARG A 178 9.023 8.400 8.940 1.00 1.23 N ATOM 2469 CZ ARG A 178 9.475 9.652 8.873 1.00 1.74 C ATOM 2470 NH1 ARG A 178 8.923 10.599 9.624 1.00 2.16 N ATOM 2471 NH2 ARG A 178 10.486 9.953 8.073 1.00 2.18 N ATOM 0 H ARG A 178 9.915 3.402 10.146 1.00 0.90 H new ATOM 0 HA ARG A 178 7.361 4.302 11.279 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.037 6.025 10.921 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.312 5.493 9.274 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.285 6.376 8.500 1.00 1.27 H new ATOM 0 HG3 ARG A 178 6.548 6.363 10.090 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.032 8.645 9.516 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.117 8.168 10.806 1.00 1.18 H new ATOM 0 HE ARG A 178 9.500 7.683 8.394 1.00 1.23 H new ATOM 0 HH11 ARG A 178 8.153 10.368 10.252 1.00 2.16 H new ATOM 0 HH12 ARG A 178 9.269 11.557 9.573 1.00 2.16 H new ATOM 0 HH21 ARG A 178 10.921 9.226 7.506 1.00 2.18 H new ATOM 0 HH22 ARG A 178 10.830 10.912 8.024 1.00 2.18 H new ATOM 2485 N THR A 179 5.829 3.859 9.396 1.00 0.91 N ATOM 2486 CA THR A 179 4.882 3.470 8.364 1.00 0.89 C ATOM 2487 C THR A 179 4.967 4.415 7.172 1.00 0.86 C ATOM 2488 O THR A 179 5.253 5.605 7.318 1.00 0.91 O ATOM 2489 CB THR A 179 3.431 3.427 8.896 1.00 1.05 C ATOM 2490 OG1 THR A 179 2.508 3.196 7.822 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.058 4.712 9.614 1.00 1.11 C ATOM 0 H THR A 179 5.399 4.281 10.219 1.00 0.91 H new ATOM 0 HA THR A 179 5.153 2.463 8.046 1.00 0.89 H new ATOM 0 HB THR A 179 3.374 2.605 9.610 1.00 1.05 H new ATOM 0 HG1 THR A 179 1.594 3.170 8.176 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.031 4.643 9.973 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.729 4.864 10.460 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.146 5.552 8.925 1.00 1.11 H new ATOM 2499 N LEU A 180 4.692 3.872 6.003 1.00 0.84 N ATOM 2500 CA LEU A 180 4.888 4.568 4.742 1.00 0.84 C ATOM 2501 C LEU A 180 3.909 5.727 4.579 1.00 0.93 C ATOM 2502 O LEU A 180 4.243 6.761 3.994 1.00 0.97 O ATOM 2503 CB LEU A 180 4.733 3.558 3.614 1.00 0.85 C ATOM 2504 CG LEU A 180 5.475 2.245 3.867 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.143 1.218 2.808 1.00 1.08 C ATOM 2506 CD2 LEU A 180 6.974 2.483 3.936 1.00 0.90 C ATOM 0 H LEU A 180 4.323 2.927 5.898 1.00 0.84 H new ATOM 0 HA LEU A 180 5.887 5.003 4.720 1.00 0.84 H new ATOM 0 HB2 LEU A 180 3.674 3.346 3.470 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.099 4.001 2.687 1.00 0.85 H new ATOM 0 HG LEU A 180 5.145 1.851 4.828 1.00 0.83 H new ATOM 0 HD11 LEU A 180 5.685 0.295 3.014 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.071 1.019 2.817 1.00 1.08 H new ATOM 0 HD13 LEU A 180 5.433 1.598 1.829 1.00 1.08 H new ATOM 0 HD21 LEU A 180 7.485 1.537 4.117 1.00 0.90 H new ATOM 0 HD22 LEU A 180 7.319 2.907 2.993 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.195 3.176 4.748 1.00 0.90 H new ATOM 2518 N ARG A 181 2.714 5.566 5.133 1.00 1.02 N ATOM 2519 CA ARG A 181 1.693 6.605 5.068 1.00 1.13 C ATOM 2520 C ARG A 181 2.035 7.772 5.989 1.00 1.18 C ATOM 2521 O ARG A 181 1.429 8.837 5.909 1.00 1.36 O ATOM 2522 CB ARG A 181 0.323 6.024 5.421 1.00 1.22 C ATOM 2523 CG ARG A 181 -0.277 5.202 4.298 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.503 6.052 3.061 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.215 5.310 1.844 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.018 5.868 0.653 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -0.140 7.180 0.492 1.00 2.54 N ATOM 2528 NH2 ARG A 181 0.304 5.106 -0.383 1.00 2.64 N ATOM 0 H ARG A 181 2.427 4.725 5.633 1.00 1.02 H new ATOM 0 HA ARG A 181 1.660 6.985 4.047 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.417 5.401 6.310 1.00 1.22 H new ATOM 0 HB3 ARG A 181 -0.357 6.838 5.672 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.386 4.371 4.056 1.00 1.15 H new ATOM 0 HG3 ARG A 181 -1.223 4.770 4.624 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.536 6.399 3.041 1.00 0.69 H new ATOM 0 HD3 ARG A 181 0.130 6.938 3.107 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.160 4.293 1.908 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -0.387 7.770 1.286 1.00 2.54 H new ATOM 0 HH12 ARG A 181 0.013 7.598 -0.426 1.00 2.54 H new ATOM 0 HH21 ARG A 181 0.399 4.097 -0.264 1.00 2.64 H new ATOM 0 HH22 ARG A 181 0.456 5.528 -1.299 1.00 2.64 H new ATOM 2542 N GLU A 182 3.021 7.568 6.850 1.00 1.11 N ATOM 2543 CA GLU A 182 3.465 8.607 7.768 1.00 1.18 C ATOM 2544 C GLU A 182 4.748 9.255 7.244 1.00 1.16 C ATOM 2545 O GLU A 182 5.223 10.259 7.775 1.00 1.25 O ATOM 2546 CB GLU A 182 3.684 8.003 9.156 1.00 1.25 C ATOM 2547 CG GLU A 182 3.989 9.014 10.247 1.00 1.34 C ATOM 2548 CD GLU A 182 2.878 10.033 10.436 1.00 1.89 C ATOM 2549 OE1 GLU A 182 1.931 9.761 11.210 1.00 2.30 O ATOM 2550 OE2 GLU A 182 2.937 11.106 9.798 1.00 2.31 O ATOM 0 H GLU A 182 3.531 6.688 6.932 1.00 1.11 H new ATOM 0 HA GLU A 182 2.701 9.381 7.842 1.00 1.18 H new ATOM 0 HB2 GLU A 182 2.793 7.442 9.438 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.506 7.289 9.101 1.00 1.25 H new ATOM 0 HG2 GLU A 182 4.156 8.488 11.187 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.915 9.535 10.004 1.00 1.34 H new ATOM 2557 N GLN A 183 5.297 8.680 6.183 1.00 1.07 N ATOM 2558 CA GLN A 183 6.498 9.220 5.565 1.00 1.06 C ATOM 2559 C GLN A 183 6.124 10.301 4.566 1.00 1.13 C ATOM 2560 O GLN A 183 6.788 11.331 4.466 1.00 1.22 O ATOM 2561 CB GLN A 183 7.274 8.124 4.843 1.00 1.00 C ATOM 2562 CG GLN A 183 7.507 6.886 5.683 1.00 1.00 C ATOM 2563 CD GLN A 183 8.124 5.760 4.886 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.817 4.868 5.561 1.00 1.65 O flip ATOM 2565 NE2 GLN A 183 7.957 5.676 3.671 1.00 0.81 N flip ATOM 0 H GLN A 183 4.930 7.841 5.734 1.00 1.07 H new ATOM 0 HA GLN A 183 7.125 9.641 6.351 1.00 1.06 H new ATOM 0 HB2 GLN A 183 6.732 7.842 3.940 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.237 8.523 4.525 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.159 7.135 6.520 1.00 1.00 H new ATOM 0 HG3 GLN A 183 6.559 6.552 6.105 1.00 1.00 H new ATOM 0 HE21 GLN A 183 7.414 6.386 3.181 1.00 0.81 H new ATOM 0 HE22 GLN A 183 8.362 4.896 3.153 1.00 0.81 H new ATOM 2574 N GLY A 184 5.047 10.054 3.829 1.00 1.16 N ATOM 2575 CA GLY A 184 4.637 10.970 2.784 1.00 1.28 C ATOM 2576 C GLY A 184 5.308 10.649 1.467 1.00 1.23 C ATOM 2577 O GLY A 184 5.521 11.528 0.634 1.00 1.38 O ATOM 0 H GLY A 184 4.450 9.234 3.938 1.00 1.16 H new ATOM 0 HA2 GLY A 184 3.555 10.923 2.662 1.00 1.28 H new ATOM 0 HA3 GLY A 184 4.881 11.991 3.078 1.00 1.28 H new ATOM 2581 N VAL A 185 5.660 9.381 1.289 1.00 1.10 N ATOM 2582 CA VAL A 185 6.320 8.938 0.071 1.00 1.08 C ATOM 2583 C VAL A 185 5.303 8.588 -1.012 1.00 1.02 C ATOM 2584 O VAL A 185 4.106 8.482 -0.748 1.00 1.15 O ATOM 2585 CB VAL A 185 7.220 7.714 0.333 1.00 1.13 C ATOM 2586 CG1 VAL A 185 8.258 8.032 1.397 1.00 1.31 C ATOM 2587 CG2 VAL A 185 6.387 6.506 0.737 1.00 1.14 C ATOM 0 H VAL A 185 5.498 8.643 1.974 1.00 1.10 H new ATOM 0 HA VAL A 185 6.939 9.767 -0.273 1.00 1.08 H new ATOM 0 HB VAL A 185 7.742 7.470 -0.593 1.00 1.13 H new ATOM 0 HG11 VAL A 185 8.884 7.156 1.568 1.00 1.31 H new ATOM 0 HG12 VAL A 185 8.880 8.862 1.062 1.00 1.31 H new ATOM 0 HG13 VAL A 185 7.756 8.306 2.325 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.044 5.655 0.917 1.00 1.14 H new ATOM 0 HG22 VAL A 185 5.832 6.735 1.647 1.00 1.14 H new ATOM 0 HG23 VAL A 185 5.688 6.262 -0.063 1.00 1.14 H new ATOM 2597 N GLU A 186 5.799 8.407 -2.222 1.00 0.93 N ATOM 2598 CA GLU A 186 4.972 8.076 -3.369 1.00 0.92 C ATOM 2599 C GLU A 186 5.487 6.784 -4.024 1.00 0.83 C ATOM 2600 O GLU A 186 6.292 6.063 -3.424 1.00 0.82 O ATOM 2601 CB GLU A 186 4.976 9.260 -4.347 1.00 1.02 C ATOM 2602 CG GLU A 186 6.319 9.972 -4.440 1.00 1.46 C ATOM 2603 CD GLU A 186 7.462 9.014 -4.671 1.00 2.45 C ATOM 2604 OE1 GLU A 186 7.619 8.541 -5.813 1.00 2.97 O ATOM 2605 OE2 GLU A 186 8.225 8.769 -3.721 1.00 3.02 O ATOM 0 H GLU A 186 6.793 8.486 -2.439 1.00 0.93 H new ATOM 0 HA GLU A 186 3.943 7.896 -3.059 1.00 0.92 H new ATOM 0 HB2 GLU A 186 4.695 8.903 -5.338 1.00 1.02 H new ATOM 0 HB3 GLU A 186 4.215 9.977 -4.039 1.00 1.02 H new ATOM 0 HG2 GLU A 186 6.287 10.698 -5.252 1.00 1.46 H new ATOM 0 HG3 GLU A 186 6.496 10.530 -3.521 1.00 1.46 H new ATOM 2612 N GLU A 187 5.034 6.475 -5.234 1.00 0.89 N ATOM 2613 CA GLU A 187 5.437 5.232 -5.884 1.00 0.91 C ATOM 2614 C GLU A 187 6.085 5.476 -7.249 1.00 0.91 C ATOM 2615 O GLU A 187 5.929 4.660 -8.153 1.00 1.14 O ATOM 2616 CB GLU A 187 4.228 4.306 -6.077 1.00 1.05 C ATOM 2617 CG GLU A 187 3.361 4.107 -4.842 1.00 1.11 C ATOM 2618 CD GLU A 187 2.384 5.243 -4.619 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.665 5.609 -5.568 1.00 1.72 O ATOM 2620 OE2 GLU A 187 2.324 5.761 -3.483 1.00 1.86 O ATOM 0 H GLU A 187 4.397 7.057 -5.778 1.00 0.89 H new ATOM 0 HA GLU A 187 6.171 4.764 -5.228 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.606 4.708 -6.877 1.00 1.05 H new ATOM 0 HB3 GLU A 187 4.586 3.332 -6.411 1.00 1.05 H new ATOM 0 HG2 GLU A 187 2.808 3.173 -4.939 1.00 1.11 H new ATOM 0 HG3 GLU A 187 4.002 4.009 -3.966 1.00 1.11 H new ATOM 2627 N HIS A 188 6.825 6.566 -7.412 1.00 0.92 N ATOM 2628 CA HIS A 188 7.419 6.855 -8.718 1.00 0.95 C ATOM 2629 C HIS A 188 8.877 7.326 -8.638 1.00 0.92 C ATOM 2630 O HIS A 188 9.517 7.533 -9.669 1.00 1.01 O ATOM 2631 CB HIS A 188 6.566 7.866 -9.499 1.00 1.04 C ATOM 2632 CG HIS A 188 6.206 9.110 -8.748 1.00 1.03 C ATOM 2633 ND1 HIS A 188 4.946 9.333 -8.238 1.00 1.09 N ATOM 2634 CD2 HIS A 188 6.931 10.211 -8.450 1.00 1.08 C ATOM 2635 CE1 HIS A 188 4.913 10.517 -7.660 1.00 1.14 C ATOM 2636 NE2 HIS A 188 6.105 11.076 -7.775 1.00 1.15 N ATOM 0 H HIS A 188 7.026 7.249 -6.682 1.00 0.92 H new ATOM 0 HA HIS A 188 7.432 5.907 -9.256 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.104 8.150 -10.403 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.647 7.373 -9.816 1.00 1.04 H new ATOM 0 HD2 HIS A 188 7.969 10.380 -8.697 1.00 1.08 H new ATOM 0 HE1 HIS A 188 4.055 10.957 -7.174 1.00 1.14 H new ATOM 0 HE2 HIS A 188 6.368 11.996 -7.422 1.00 1.15 H new ATOM 2645 N GLU A 189 9.405 7.494 -7.437 1.00 0.89 N ATOM 2646 CA GLU A 189 10.809 7.851 -7.283 1.00 0.92 C ATOM 2647 C GLU A 189 11.660 6.613 -7.038 1.00 0.78 C ATOM 2648 O GLU A 189 11.139 5.560 -6.666 1.00 0.74 O ATOM 2649 CB GLU A 189 10.989 8.858 -6.153 1.00 1.10 C ATOM 2650 CG GLU A 189 10.378 10.213 -6.464 1.00 1.37 C ATOM 2651 CD GLU A 189 10.895 10.788 -7.767 1.00 1.82 C ATOM 2652 OE1 GLU A 189 12.025 11.321 -7.782 1.00 2.38 O ATOM 2653 OE2 GLU A 189 10.168 10.722 -8.782 1.00 2.34 O ATOM 0 H GLU A 189 8.891 7.391 -6.562 1.00 0.89 H new ATOM 0 HA GLU A 189 11.143 8.314 -8.211 1.00 0.92 H new ATOM 0 HB2 GLU A 189 10.536 8.461 -5.244 1.00 1.10 H new ATOM 0 HB3 GLU A 189 12.053 8.983 -5.951 1.00 1.10 H new ATOM 0 HG2 GLU A 189 9.293 10.117 -6.516 1.00 1.37 H new ATOM 0 HG3 GLU A 189 10.598 10.904 -5.651 1.00 1.37 H new ATOM 2660 N THR A 190 12.960 6.731 -7.278 1.00 0.74 N ATOM 2661 CA THR A 190 13.862 5.600 -7.138 1.00 0.66 C ATOM 2662 C THR A 190 14.203 5.332 -5.676 1.00 0.57 C ATOM 2663 O THR A 190 14.649 6.218 -4.949 1.00 0.61 O ATOM 2664 CB THR A 190 15.164 5.826 -7.934 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.852 6.194 -9.287 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.029 4.569 -7.939 1.00 0.66 C ATOM 0 H THR A 190 13.411 7.598 -7.570 1.00 0.74 H new ATOM 0 HA THR A 190 13.343 4.730 -7.540 1.00 0.66 H new ATOM 0 HB THR A 190 15.720 6.629 -7.451 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.683 6.338 -9.787 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.940 4.757 -8.507 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.289 4.302 -6.915 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.477 3.749 -8.399 1.00 0.66 H new ATOM 2674 N LEU A 191 13.987 4.096 -5.257 1.00 0.48 N ATOM 2675 CA LEU A 191 14.321 3.675 -3.912 1.00 0.42 C ATOM 2676 C LEU A 191 15.500 2.717 -4.006 1.00 0.39 C ATOM 2677 O LEU A 191 15.498 1.815 -4.840 1.00 0.38 O ATOM 2678 CB LEU A 191 13.136 2.974 -3.217 1.00 0.41 C ATOM 2679 CG LEU A 191 11.736 3.598 -3.399 1.00 0.51 C ATOM 2680 CD1 LEU A 191 11.776 5.114 -3.316 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.105 3.151 -4.706 1.00 0.82 C ATOM 0 H LEU A 191 13.578 3.363 -5.837 1.00 0.48 H new ATOM 0 HA LEU A 191 14.569 4.553 -3.315 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.096 1.946 -3.576 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.349 2.931 -2.149 1.00 0.41 H new ATOM 0 HG LEU A 191 11.117 3.240 -2.576 1.00 0.51 H new ATOM 0 HD11 LEU A 191 10.770 5.512 -3.449 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.159 5.415 -2.341 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.427 5.504 -4.098 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.120 3.605 -4.808 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.736 3.461 -5.539 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.006 2.066 -4.710 1.00 0.82 H new ATOM 2693 N LEU A 192 16.511 2.903 -3.184 1.00 0.39 N ATOM 2694 CA LEU A 192 17.726 2.120 -3.310 1.00 0.41 C ATOM 2695 C LEU A 192 17.831 1.123 -2.172 1.00 0.40 C ATOM 2696 O LEU A 192 17.472 1.428 -1.033 1.00 0.44 O ATOM 2697 CB LEU A 192 18.948 3.037 -3.271 1.00 0.44 C ATOM 2698 CG LEU A 192 18.760 4.408 -3.914 1.00 0.49 C ATOM 2699 CD1 LEU A 192 19.931 5.306 -3.571 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.612 4.283 -5.421 1.00 0.50 C ATOM 0 H LEU A 192 16.518 3.585 -2.425 1.00 0.39 H new ATOM 0 HA LEU A 192 17.691 1.588 -4.261 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.241 3.180 -2.231 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.776 2.532 -3.769 1.00 0.44 H new ATOM 0 HG LEU A 192 17.846 4.852 -3.520 1.00 0.49 H new ATOM 0 HD11 LEU A 192 19.789 6.282 -4.034 1.00 0.56 H new ATOM 0 HD12 LEU A 192 19.995 5.423 -2.489 1.00 0.56 H new ATOM 0 HD13 LEU A 192 20.853 4.859 -3.943 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.479 5.273 -5.857 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.507 3.820 -5.837 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.744 3.666 -5.651 1.00 0.50 H new ATOM 2712 N LEU A 193 18.287 -0.074 -2.480 1.00 0.43 N ATOM 2713 CA LEU A 193 18.640 -1.026 -1.452 1.00 0.50 C ATOM 2714 C LEU A 193 20.107 -0.835 -1.079 1.00 0.47 C ATOM 2715 O LEU A 193 20.999 -0.996 -1.912 1.00 0.49 O ATOM 2716 CB LEU A 193 18.365 -2.455 -1.944 1.00 0.68 C ATOM 2717 CG LEU A 193 18.475 -3.558 -0.888 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.601 -4.735 -1.268 1.00 1.09 C ATOM 2719 CD2 LEU A 193 19.911 -4.026 -0.741 1.00 1.03 C ATOM 0 H LEU A 193 18.421 -0.409 -3.434 1.00 0.43 H new ATOM 0 HA LEU A 193 18.032 -0.861 -0.563 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.362 -2.485 -2.370 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.061 -2.681 -2.752 1.00 0.68 H new ATOM 0 HG LEU A 193 18.140 -3.146 0.064 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.688 -5.513 -0.509 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.563 -4.410 -1.337 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.922 -5.131 -2.232 1.00 1.09 H new ATOM 0 HD21 LEU A 193 19.963 -4.810 0.015 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.265 -4.418 -1.694 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.538 -3.187 -0.438 1.00 1.03 H new ATOM 2731 N ARG A 194 20.342 -0.460 0.167 1.00 0.46 N ATOM 2732 CA ARG A 194 21.687 -0.209 0.663 1.00 0.46 C ATOM 2733 C ARG A 194 21.922 -1.029 1.918 1.00 0.44 C ATOM 2734 O ARG A 194 20.996 -1.242 2.702 1.00 0.49 O ATOM 2735 CB ARG A 194 21.876 1.275 0.990 1.00 0.53 C ATOM 2736 CG ARG A 194 21.840 2.208 -0.214 1.00 0.60 C ATOM 2737 CD ARG A 194 23.101 2.113 -1.054 1.00 0.65 C ATOM 2738 NE ARG A 194 24.308 2.182 -0.231 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.358 2.956 -0.497 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.333 3.793 -1.527 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.428 2.904 0.288 1.00 1.06 N ATOM 0 H ARG A 194 19.609 -0.321 0.863 1.00 0.46 H new ATOM 0 HA ARG A 194 22.401 -0.492 -0.110 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.098 1.579 1.690 1.00 0.53 H new ATOM 0 HB3 ARG A 194 22.831 1.401 1.500 1.00 0.53 H new ATOM 0 HG2 ARG A 194 20.975 1.967 -0.832 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.711 3.235 0.128 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.095 1.178 -1.613 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.113 2.922 -1.785 1.00 0.65 H new ATOM 0 HE ARG A 194 24.348 1.597 0.604 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.505 3.846 -2.121 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.141 4.383 -1.725 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.442 2.273 1.090 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.236 3.495 0.089 1.00 1.06 H new ATOM 2755 N ARG A 195 23.142 -1.490 2.125 1.00 0.45 N ATOM 2756 CA ARG A 195 23.436 -2.255 3.322 1.00 0.50 C ATOM 2757 C ARG A 195 24.058 -1.361 4.385 1.00 0.55 C ATOM 2758 O ARG A 195 24.941 -0.549 4.101 1.00 0.64 O ATOM 2759 CB ARG A 195 24.344 -3.455 3.022 1.00 0.59 C ATOM 2760 CG ARG A 195 25.811 -3.120 2.816 1.00 1.02 C ATOM 2761 CD ARG A 195 26.635 -4.383 2.618 1.00 1.07 C ATOM 2762 NE ARG A 195 26.302 -5.411 3.610 1.00 1.49 N ATOM 2763 CZ ARG A 195 26.403 -6.726 3.394 1.00 2.13 C ATOM 2764 NH1 ARG A 195 26.785 -7.185 2.208 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.097 -7.582 4.364 1.00 2.68 N ATOM 0 H ARG A 195 23.931 -1.352 1.494 1.00 0.45 H new ATOM 0 HA ARG A 195 22.493 -2.648 3.703 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.262 -4.167 3.844 1.00 0.59 H new ATOM 0 HB3 ARG A 195 23.973 -3.956 2.128 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.921 -2.470 1.948 1.00 1.02 H new ATOM 0 HG3 ARG A 195 26.186 -2.568 3.678 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.463 -4.776 1.616 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.695 -4.140 2.688 1.00 1.07 H new ATOM 0 HE ARG A 195 25.972 -5.102 4.524 1.00 1.49 H new ATOM 0 HH11 ARG A 195 27.003 -6.533 1.455 1.00 2.34 H new ATOM 0 HH12 ARG A 195 26.860 -8.190 2.050 1.00 2.34 H new ATOM 0 HH21 ARG A 195 25.786 -7.235 5.271 1.00 2.68 H new ATOM 0 HH22 ARG A 195 26.173 -8.586 4.201 1.00 2.68 H new ATOM 2779 N LYS A 196 23.562 -1.495 5.602 1.00 0.60 N ATOM 2780 CA LYS A 196 24.108 -0.772 6.734 1.00 0.69 C ATOM 2781 C LYS A 196 25.010 -1.704 7.528 1.00 0.76 C ATOM 2782 O LYS A 196 26.077 -1.310 7.995 1.00 0.88 O ATOM 2783 CB LYS A 196 22.985 -0.219 7.619 1.00 0.75 C ATOM 2784 CG LYS A 196 23.485 0.597 8.802 1.00 0.88 C ATOM 2785 CD LYS A 196 22.342 1.266 9.548 1.00 1.28 C ATOM 2786 CE LYS A 196 22.852 2.078 10.727 1.00 1.65 C ATOM 2787 NZ LYS A 196 21.765 2.851 11.381 1.00 2.15 N ATOM 0 H LYS A 196 22.776 -2.103 5.831 1.00 0.60 H new ATOM 0 HA LYS A 196 24.691 0.076 6.374 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.328 0.403 7.011 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.384 -1.049 7.990 1.00 0.75 H new ATOM 0 HG2 LYS A 196 24.035 -0.051 9.484 1.00 0.88 H new ATOM 0 HG3 LYS A 196 24.184 1.356 8.451 1.00 0.88 H new ATOM 0 HD2 LYS A 196 21.792 1.916 8.867 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.643 0.508 9.901 1.00 1.28 H new ATOM 0 HE2 LYS A 196 23.311 1.410 11.456 1.00 1.65 H new ATOM 0 HE3 LYS A 196 23.630 2.762 10.387 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 22.155 3.391 12.180 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 21.343 3.507 10.693 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.035 2.197 11.729 1.00 2.15 H new ATOM 2801 N PHE A 197 24.578 -2.953 7.655 1.00 0.77 N ATOM 2802 CA PHE A 197 25.391 -3.972 8.298 1.00 0.89 C ATOM 2803 C PHE A 197 26.055 -4.821 7.232 1.00 0.96 C ATOM 2804 O PHE A 197 25.499 -5.017 6.149 1.00 0.92 O ATOM 2805 CB PHE A 197 24.561 -4.894 9.198 1.00 0.95 C ATOM 2806 CG PHE A 197 23.570 -4.195 10.087 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.937 -3.033 10.741 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.289 -4.688 10.273 1.00 0.92 C ATOM 2809 CE1 PHE A 197 23.055 -2.372 11.567 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.396 -4.033 11.101 1.00 0.95 C ATOM 2811 CZ PHE A 197 21.700 -2.934 11.710 1.00 1.03 C ATOM 0 H PHE A 197 23.672 -3.282 7.322 1.00 0.77 H new ATOM 0 HA PHE A 197 26.127 -3.460 8.918 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.024 -5.603 8.568 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.240 -5.474 9.823 1.00 0.95 H new ATOM 0 HD1 PHE A 197 24.932 -2.637 10.602 1.00 1.14 H new ATOM 0 HD2 PHE A 197 21.985 -5.592 9.767 1.00 0.92 H new ATOM 0 HE1 PHE A 197 23.346 -1.474 12.091 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.412 -4.454 11.244 1.00 0.95 H new ATOM 0 HZ PHE A 197 20.965 -2.430 12.320 1.00 1.03 H new