USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 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 36 MET CE :methyl 143:sc= -1.86 (180deg=-4.72!) USER MOD Set 1.2: A 72 MET CE :methyl 141:sc= -0.29 (180deg=-0.305) USER MOD Set 2.1: A 26 THR OG1 : rot -142:sc= 1.07 USER MOD Set 2.2: A 62 THR OG1 : rot 137:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.087) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0545) USER MOD Single : A 17 SER OG : rot 107:sc= 0.318 USER MOD Single : A 28 THR OG1 : rot 140:sc= -1.3 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.435 X(o=0.44,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.9) USER MOD Single : A 44 THR OG1 : rot -162:sc= 1.27 USER MOD Single : A 49 GLN : amide:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Single : A 51 MET CE :methyl -124:sc= -2.4! (180deg=-4.38!) USER MOD Single : A 53 ASN : amide:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 70 THR OG1 : rot 7:sc= 0.458 USER MOD Single : A 71 MET CE :methyl -169:sc= -0.605 (180deg=-0.792) USER MOD Single : A 81 SER OG : rot -38:sc= 0.0585 USER MOD Single : A 94 LYS NZ :NH3+ -109:sc= 1.27 (180deg=-0.864) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0.044) USER MOD Single : A 109 MET CE :methyl -128:sc= -2.48! (180deg=-4.48!) USER MOD Single : A 110 THR OG1 : rot 84:sc= 1 USER MOD Single : A 111 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.5) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 124 MET CE :methyl 145:sc= -4.07! (180deg=-6.96!) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.0149 F(o=-1.4,f=-0.015) USER MOD Single : A 137 ASN : amide:sc= -0.936 K(o=-0.94,f=-4.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -131:sc= -2.39 (180deg=-5.41!) USER MOD Single : A 145 MET CE :methyl 154:sc= -1.53 (180deg=-2.99!) USER MOD Single : A 146 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 -10.703 15.701 -12.322 1.00 3.51 N ATOM 91 CA GLU A 7 -11.468 16.643 -11.500 1.00 3.59 C ATOM 92 C GLU A 7 -11.474 16.274 -10.018 1.00 3.35 C ATOM 93 O GLU A 7 -11.775 17.127 -9.179 1.00 3.38 O ATOM 94 CB GLU A 7 -12.906 16.767 -12.016 1.00 3.93 C ATOM 95 CG GLU A 7 -13.028 17.549 -13.316 1.00 4.45 C ATOM 96 CD GLU A 7 -14.461 17.653 -13.800 1.00 5.14 C ATOM 97 OE1 GLU A 7 -15.148 18.625 -13.419 1.00 5.54 O ATOM 98 OE2 GLU A 7 -14.897 16.764 -14.561 1.00 5.58 O ATOM 0 HA GLU A 7 -10.965 17.606 -11.587 1.00 3.59 H new ATOM 0 HB2 GLU A 7 -13.316 15.768 -12.164 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -13.515 17.252 -11.253 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -12.623 18.551 -13.173 1.00 4.45 H new ATOM 0 HG3 GLU A 7 -12.423 17.067 -14.084 1.00 4.45 H new ATOM 105 N GLN A 8 -11.163 15.007 -9.689 1.00 3.16 N ATOM 106 CA GLN A 8 -11.101 14.576 -8.287 1.00 2.96 C ATOM 107 C GLN A 8 -10.025 15.355 -7.567 1.00 2.69 C ATOM 108 O GLN A 8 -10.167 15.686 -6.393 1.00 2.63 O ATOM 109 CB GLN A 8 -10.868 13.062 -8.160 1.00 2.87 C ATOM 110 CG GLN A 8 -12.013 12.200 -8.686 1.00 3.23 C ATOM 111 CD GLN A 8 -13.183 12.108 -7.722 1.00 3.13 C ATOM 112 OE1 GLN A 8 -14.106 12.922 -7.769 1.00 3.27 O ATOM 113 NE2 GLN A 8 -13.149 11.115 -6.842 1.00 3.29 N ATOM 0 H GLN A 8 -10.954 14.275 -10.367 1.00 3.16 H new ATOM 0 HA GLN A 8 -12.065 14.782 -7.822 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -9.957 12.801 -8.698 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -10.700 12.820 -7.111 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -12.362 12.610 -9.634 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -11.640 11.197 -8.891 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -12.364 10.463 -6.839 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -13.907 11.004 -6.169 1.00 3.29 H new ATOM 122 N ILE A 9 -8.950 15.630 -8.299 1.00 2.59 N ATOM 123 CA ILE A 9 -7.864 16.465 -7.829 1.00 2.41 C ATOM 124 C ILE A 9 -8.433 17.830 -7.449 1.00 2.64 C ATOM 125 O ILE A 9 -8.101 18.372 -6.396 1.00 2.55 O ATOM 126 CB ILE A 9 -6.789 16.569 -8.933 1.00 2.42 C ATOM 127 CG1 ILE A 9 -5.987 15.270 -8.955 1.00 2.20 C ATOM 128 CG2 ILE A 9 -5.900 17.795 -8.764 1.00 2.45 C ATOM 129 CD1 ILE A 9 -6.559 14.240 -9.900 1.00 2.35 C ATOM 0 H ILE A 9 -8.813 15.273 -9.244 1.00 2.59 H new ATOM 0 HA ILE A 9 -7.388 16.036 -6.947 1.00 2.41 H new ATOM 0 HB ILE A 9 -7.279 16.704 -9.897 1.00 2.42 H new ATOM 0 HG12 ILE A 9 -4.959 15.489 -9.244 1.00 2.20 H new ATOM 0 HG13 ILE A 9 -5.953 14.853 -7.949 1.00 2.20 H new ATOM 0 HG21 ILE A 9 -5.161 17.822 -9.565 1.00 2.45 H new ATOM 0 HG22 ILE A 9 -6.512 18.696 -8.804 1.00 2.45 H new ATOM 0 HG23 ILE A 9 -5.390 17.745 -7.802 1.00 2.45 H new ATOM 0 HD11 ILE A 9 -5.946 13.339 -9.871 1.00 2.35 H new ATOM 0 HD12 ILE A 9 -7.577 13.995 -9.598 1.00 2.35 H new ATOM 0 HD13 ILE A 9 -6.567 14.641 -10.914 1.00 2.35 H new ATOM 141 N ALA A 10 -9.304 18.368 -8.332 1.00 2.97 N ATOM 142 CA ALA A 10 -10.007 19.630 -8.066 1.00 3.26 C ATOM 143 C ALA A 10 -10.795 19.545 -6.763 1.00 3.27 C ATOM 144 O ALA A 10 -11.022 20.560 -6.099 1.00 3.43 O ATOM 145 CB ALA A 10 -10.911 20.011 -9.230 1.00 3.61 C ATOM 0 H ALA A 10 -9.532 17.944 -9.231 1.00 2.97 H new ATOM 0 HA ALA A 10 -9.260 20.416 -7.958 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -11.418 20.949 -9.005 1.00 3.61 H new ATOM 0 HB2 ALA A 10 -10.311 20.130 -10.132 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -11.651 19.227 -9.387 1.00 3.61 H new ATOM 151 N GLU A 11 -11.208 18.318 -6.411 1.00 3.14 N ATOM 152 CA GLU A 11 -11.897 18.069 -5.146 1.00 3.18 C ATOM 153 C GLU A 11 -10.881 17.896 -4.036 1.00 2.87 C ATOM 154 O GLU A 11 -11.136 18.234 -2.876 1.00 2.94 O ATOM 155 CB GLU A 11 -12.751 16.811 -5.230 1.00 3.24 C ATOM 156 CG GLU A 11 -14.245 17.071 -5.378 1.00 3.63 C ATOM 157 CD GLU A 11 -14.922 17.412 -4.062 1.00 3.78 C ATOM 158 OE1 GLU A 11 -15.385 16.478 -3.373 1.00 4.13 O ATOM 159 OE2 GLU A 11 -14.988 18.612 -3.721 1.00 3.90 O ATOM 0 H GLU A 11 -11.075 17.487 -6.987 1.00 3.14 H new ATOM 0 HA GLU A 11 -12.542 18.923 -4.938 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -12.413 16.214 -6.077 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -12.586 16.214 -4.333 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -14.398 17.890 -6.081 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -14.721 16.189 -5.807 1.00 3.63 H new ATOM 166 N PHE A 12 -9.723 17.362 -4.423 1.00 2.56 N ATOM 167 CA PHE A 12 -8.615 17.133 -3.503 1.00 2.24 C ATOM 168 C PHE A 12 -7.990 18.454 -3.034 1.00 2.30 C ATOM 169 O PHE A 12 -7.611 18.570 -1.865 1.00 2.22 O ATOM 170 CB PHE A 12 -7.544 16.251 -4.161 1.00 1.94 C ATOM 171 CG PHE A 12 -7.925 14.790 -4.364 1.00 1.85 C ATOM 172 CD1 PHE A 12 -6.992 13.897 -4.879 1.00 2.28 C ATOM 173 CD2 PHE A 12 -9.184 14.294 -4.022 1.00 2.07 C ATOM 174 CE1 PHE A 12 -7.299 12.560 -5.043 1.00 2.34 C ATOM 175 CE2 PHE A 12 -9.485 12.962 -4.197 1.00 2.03 C ATOM 176 CZ PHE A 12 -8.555 12.096 -4.698 1.00 1.90 C ATOM 0 H PHE A 12 -9.529 17.077 -5.383 1.00 2.56 H new ATOM 0 HA PHE A 12 -9.015 16.619 -2.629 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -7.292 16.680 -5.131 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -6.642 16.291 -3.551 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -6.011 14.254 -5.155 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -9.929 14.962 -3.616 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -6.560 11.879 -5.439 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -10.467 12.598 -3.935 1.00 2.03 H new ATOM 0 HZ PHE A 12 -8.800 11.052 -4.824 1.00 1.90 H new ATOM 186 N LYS A 13 -7.881 19.454 -3.946 1.00 2.51 N ATOM 187 CA LYS A 13 -7.303 20.763 -3.580 1.00 2.67 C ATOM 188 C LYS A 13 -8.290 21.616 -2.792 1.00 2.96 C ATOM 189 O LYS A 13 -7.882 22.555 -2.110 1.00 3.07 O ATOM 190 CB LYS A 13 -6.760 21.548 -4.790 1.00 2.86 C ATOM 191 CG LYS A 13 -7.582 21.438 -6.078 1.00 3.04 C ATOM 192 CD LYS A 13 -6.749 20.876 -7.235 1.00 2.93 C ATOM 193 CE LYS A 13 -5.791 21.908 -7.836 1.00 3.15 C ATOM 194 NZ LYS A 13 -6.512 22.962 -8.607 1.00 3.58 N ATOM 0 H LYS A 13 -8.180 19.378 -4.918 1.00 2.51 H new ATOM 0 HA LYS A 13 -6.451 20.536 -2.940 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -6.690 22.600 -4.515 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -5.747 21.204 -4.997 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -8.445 20.795 -5.905 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -7.966 22.421 -6.350 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -6.176 20.019 -6.881 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -7.418 20.512 -8.014 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -5.214 22.375 -7.037 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -5.080 21.404 -8.490 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -5.824 23.549 -9.120 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -7.160 22.514 -9.286 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -7.056 23.560 -7.953 1.00 3.58 H new ATOM 208 N GLU A 14 -9.588 21.297 -2.893 1.00 3.12 N ATOM 209 CA GLU A 14 -10.611 22.018 -2.130 1.00 3.43 C ATOM 210 C GLU A 14 -10.528 21.632 -0.646 1.00 3.34 C ATOM 211 O GLU A 14 -10.831 22.441 0.235 1.00 3.56 O ATOM 212 CB GLU A 14 -12.011 21.713 -2.674 1.00 3.67 C ATOM 213 CG GLU A 14 -12.318 22.395 -3.999 1.00 4.07 C ATOM 214 CD GLU A 14 -13.709 22.074 -4.511 1.00 4.36 C ATOM 215 OE1 GLU A 14 -14.653 22.817 -4.170 1.00 4.71 O ATOM 216 OE2 GLU A 14 -13.854 21.080 -5.253 1.00 4.52 O ATOM 0 H GLU A 14 -9.950 20.553 -3.489 1.00 3.12 H new ATOM 0 HA GLU A 14 -10.428 23.088 -2.233 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -12.115 20.635 -2.798 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -12.752 22.022 -1.937 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -12.219 23.474 -3.880 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -11.582 22.087 -4.741 1.00 4.07 H new ATOM 223 N ALA A 15 -10.110 20.379 -0.399 1.00 3.04 N ATOM 224 CA ALA A 15 -9.970 19.839 0.955 1.00 2.97 C ATOM 225 C ALA A 15 -8.595 20.097 1.567 1.00 2.76 C ATOM 226 O ALA A 15 -8.498 20.741 2.609 1.00 2.91 O ATOM 227 CB ALA A 15 -10.280 18.339 0.955 1.00 2.84 C ATOM 0 H ALA A 15 -9.861 19.717 -1.134 1.00 3.04 H new ATOM 0 HA ALA A 15 -10.690 20.367 1.581 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -10.173 17.945 1.966 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -11.301 18.178 0.609 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -9.586 17.824 0.290 1.00 2.84 H new ATOM 233 N PHE A 16 -7.534 19.574 0.928 1.00 2.45 N ATOM 234 CA PHE A 16 -6.150 19.738 1.412 1.00 2.28 C ATOM 235 C PHE A 16 -5.854 21.192 1.765 1.00 2.56 C ATOM 236 O PHE A 16 -5.229 21.483 2.784 1.00 2.60 O ATOM 237 CB PHE A 16 -5.175 19.267 0.327 1.00 2.02 C ATOM 238 CG PHE A 16 -3.719 19.148 0.740 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.108 17.904 0.768 1.00 2.18 C ATOM 240 CD2 PHE A 16 -2.958 20.272 1.058 1.00 2.17 C ATOM 241 CE1 PHE A 16 -1.782 17.772 1.101 1.00 2.21 C ATOM 242 CE2 PHE A 16 -1.624 20.139 1.402 1.00 2.07 C ATOM 243 CZ PHE A 16 -1.040 18.883 1.421 1.00 1.79 C ATOM 0 H PHE A 16 -7.609 19.030 0.068 1.00 2.45 H new ATOM 0 HA PHE A 16 -6.029 19.138 2.314 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -5.509 18.295 -0.035 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -5.237 19.959 -0.513 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.684 17.024 0.524 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -3.412 21.252 1.036 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -1.323 16.795 1.111 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -1.040 21.012 1.655 1.00 2.07 H new ATOM 0 HZ PHE A 16 0.001 18.777 1.688 1.00 1.79 H new ATOM 253 N SER A 17 -6.333 22.090 0.912 1.00 2.80 N ATOM 254 CA SER A 17 -6.123 23.508 1.083 1.00 3.11 C ATOM 255 C SER A 17 -6.905 24.093 2.248 1.00 3.36 C ATOM 256 O SER A 17 -6.574 25.183 2.725 1.00 3.59 O ATOM 257 CB SER A 17 -6.459 24.258 -0.200 1.00 3.33 C ATOM 258 OG SER A 17 -5.535 23.952 -1.230 1.00 3.30 O ATOM 0 H SER A 17 -6.877 21.847 0.084 1.00 2.80 H new ATOM 0 HA SER A 17 -5.066 23.634 1.316 1.00 3.11 H new ATOM 0 HB2 SER A 17 -7.467 23.998 -0.523 1.00 3.33 H new ATOM 0 HB3 SER A 17 -6.453 25.331 -0.009 1.00 3.33 H new ATOM 0 HG SER A 17 -5.967 23.379 -1.897 1.00 3.30 H new ATOM 264 N LEU A 18 -7.951 23.388 2.708 1.00 3.35 N ATOM 265 CA LEU A 18 -8.745 23.878 3.821 1.00 3.63 C ATOM 266 C LEU A 18 -7.935 23.823 5.111 1.00 3.56 C ATOM 267 O LEU A 18 -8.248 24.480 6.109 1.00 3.81 O ATOM 268 CB LEU A 18 -10.072 23.113 3.917 1.00 3.72 C ATOM 269 CG LEU A 18 -10.062 21.884 4.812 1.00 3.54 C ATOM 270 CD1 LEU A 18 -10.481 22.235 6.236 1.00 3.79 C ATOM 271 CD2 LEU A 18 -10.946 20.776 4.258 1.00 3.53 C ATOM 0 H LEU A 18 -8.255 22.492 2.327 1.00 3.35 H new ATOM 0 HA LEU A 18 -9.001 24.924 3.650 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -10.839 23.797 4.279 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -10.367 22.806 2.913 1.00 3.72 H new ATOM 0 HG LEU A 18 -9.037 21.515 4.835 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -10.464 21.336 6.852 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -9.790 22.970 6.648 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -11.489 22.650 6.227 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -10.912 19.915 4.926 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -11.972 21.134 4.180 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -10.588 20.484 3.271 1.00 3.53 H new ATOM 283 N PHE A 19 -6.898 23.019 5.034 1.00 3.24 N ATOM 284 CA PHE A 19 -5.953 22.817 6.123 1.00 3.16 C ATOM 285 C PHE A 19 -4.585 23.364 5.716 1.00 3.11 C ATOM 286 O PHE A 19 -3.611 23.251 6.463 1.00 3.07 O ATOM 287 CB PHE A 19 -5.820 21.324 6.443 1.00 2.89 C ATOM 288 CG PHE A 19 -7.099 20.632 6.853 1.00 3.01 C ATOM 289 CD1 PHE A 19 -7.673 20.864 8.096 1.00 3.31 C ATOM 290 CD2 PHE A 19 -7.715 19.733 5.995 1.00 3.27 C ATOM 291 CE1 PHE A 19 -8.835 20.215 8.470 1.00 3.50 C ATOM 292 CE2 PHE A 19 -8.877 19.084 6.365 1.00 3.41 C ATOM 293 CZ PHE A 19 -9.437 19.324 7.604 1.00 3.37 C ATOM 0 H PHE A 19 -6.679 22.475 4.200 1.00 3.24 H new ATOM 0 HA PHE A 19 -6.318 23.341 7.007 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -5.417 20.816 5.566 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -5.090 21.205 7.244 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -7.206 21.559 8.778 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -7.281 19.538 5.026 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -9.272 20.405 9.439 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -9.347 18.389 5.685 1.00 3.41 H new ATOM 0 HZ PHE A 19 -10.344 18.816 7.895 1.00 3.37 H new ATOM 303 N ALA A 20 -4.539 23.983 4.522 1.00 3.18 N ATOM 304 CA ALA A 20 -3.283 24.530 3.944 1.00 3.22 C ATOM 305 C ALA A 20 -2.511 25.487 4.871 1.00 3.51 C ATOM 306 O ALA A 20 -3.046 26.506 5.320 1.00 3.80 O ATOM 307 CB ALA A 20 -3.569 25.238 2.626 1.00 3.38 C ATOM 0 H ALA A 20 -5.359 24.121 3.931 1.00 3.18 H new ATOM 0 HA ALA A 20 -2.641 23.662 3.792 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -2.639 25.633 2.216 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -4.006 24.531 1.921 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -4.267 26.058 2.797 1.00 3.38 H new ATOM 354 N ASP A 24 5.445 25.312 2.810 1.00 3.98 N ATOM 355 CA ASP A 24 5.492 24.749 1.443 1.00 3.89 C ATOM 356 C ASP A 24 4.087 24.468 0.890 1.00 3.62 C ATOM 357 O ASP A 24 3.919 24.185 -0.301 1.00 3.56 O ATOM 358 CB ASP A 24 6.321 23.460 1.430 1.00 3.77 C ATOM 359 CG ASP A 24 7.802 23.715 1.644 1.00 4.13 C ATOM 360 OD1 ASP A 24 8.522 23.911 0.642 1.00 4.50 O ATOM 361 OD2 ASP A 24 8.241 23.720 2.813 1.00 4.32 O ATOM 0 HA ASP A 24 5.961 25.494 0.800 1.00 3.89 H new ATOM 0 HB2 ASP A 24 5.956 22.790 2.208 1.00 3.77 H new ATOM 0 HB3 ASP A 24 6.178 22.950 0.477 1.00 3.77 H new ATOM 366 N GLY A 25 3.092 24.558 1.779 1.00 3.50 N ATOM 367 CA GLY A 25 1.698 24.340 1.419 1.00 3.30 C ATOM 368 C GLY A 25 1.338 22.903 1.636 1.00 2.90 C ATOM 369 O GLY A 25 0.884 22.202 0.727 1.00 2.69 O ATOM 0 H GLY A 25 3.236 24.783 2.763 1.00 3.50 H new ATOM 0 HA2 GLY A 25 1.053 24.981 2.020 1.00 3.30 H new ATOM 0 HA3 GLY A 25 1.535 24.612 0.376 1.00 3.30 H new ATOM 373 N THR A 26 1.558 22.489 2.880 1.00 2.85 N ATOM 374 CA THR A 26 1.335 21.126 3.304 1.00 2.53 C ATOM 375 C THR A 26 0.208 21.008 4.330 1.00 2.45 C ATOM 376 O THR A 26 -0.404 22.011 4.707 1.00 2.66 O ATOM 377 CB THR A 26 2.613 20.545 3.921 1.00 2.59 C ATOM 378 OG1 THR A 26 3.010 21.280 5.085 1.00 2.84 O ATOM 379 CG2 THR A 26 3.716 20.549 2.911 1.00 2.74 C ATOM 0 H THR A 26 1.899 23.101 3.622 1.00 2.85 H new ATOM 0 HA THR A 26 1.049 20.569 2.412 1.00 2.53 H new ATOM 0 HB THR A 26 2.405 19.519 4.225 1.00 2.59 H new ATOM 0 HG1 THR A 26 3.987 21.350 5.110 1.00 2.84 H new ATOM 0 HG21 THR A 26 4.620 20.135 3.358 1.00 2.74 H new ATOM 0 HG22 THR A 26 3.425 19.944 2.052 1.00 2.74 H new ATOM 0 HG23 THR A 26 3.908 21.572 2.586 1.00 2.74 H new ATOM 387 N ILE A 27 -0.057 19.762 4.772 1.00 2.21 N ATOM 388 CA ILE A 27 -1.090 19.476 5.786 1.00 2.22 C ATOM 389 C ILE A 27 -0.658 18.260 6.611 1.00 2.15 C ATOM 390 O ILE A 27 0.451 17.773 6.450 1.00 2.13 O ATOM 391 CB ILE A 27 -2.527 19.255 5.197 1.00 2.13 C ATOM 392 CG1 ILE A 27 -2.575 17.998 4.313 1.00 1.82 C ATOM 393 CG2 ILE A 27 -3.011 20.502 4.455 1.00 2.31 C ATOM 394 CD1 ILE A 27 -3.980 17.539 3.975 1.00 1.79 C ATOM 0 H ILE A 27 0.435 18.933 4.439 1.00 2.21 H new ATOM 0 HA ILE A 27 -1.169 20.364 6.414 1.00 2.22 H new ATOM 0 HB ILE A 27 -3.215 19.087 6.026 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -2.035 18.196 3.387 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -2.051 17.188 4.821 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -4.009 20.323 4.056 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -3.041 21.346 5.144 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -2.328 20.726 3.636 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -3.931 16.648 3.349 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -4.518 17.308 4.894 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -4.502 18.331 3.438 1.00 1.79 H new ATOM 406 N THR A 28 -1.516 17.801 7.506 1.00 2.23 N ATOM 407 CA THR A 28 -1.211 16.635 8.339 1.00 2.29 C ATOM 408 C THR A 28 -2.065 15.442 7.888 1.00 2.17 C ATOM 409 O THR A 28 -2.921 15.580 7.008 1.00 2.04 O ATOM 410 CB THR A 28 -1.348 16.947 9.869 1.00 2.57 C ATOM 411 OG1 THR A 28 -1.415 15.744 10.647 1.00 2.86 O ATOM 412 CG2 THR A 28 -2.556 17.824 10.177 1.00 3.10 C ATOM 0 H THR A 28 -2.432 18.214 7.680 1.00 2.23 H new ATOM 0 HA THR A 28 -0.164 16.367 8.199 1.00 2.29 H new ATOM 0 HB THR A 28 -0.450 17.499 10.146 1.00 2.57 H new ATOM 0 HG1 THR A 28 -0.891 15.855 11.468 1.00 2.86 H new ATOM 0 HG21 THR A 28 -2.606 18.011 11.250 1.00 3.10 H new ATOM 0 HG22 THR A 28 -2.462 18.772 9.647 1.00 3.10 H new ATOM 0 HG23 THR A 28 -3.465 17.317 9.854 1.00 3.10 H new ATOM 420 N THR A 29 -1.826 14.283 8.499 1.00 2.30 N ATOM 421 CA THR A 29 -2.494 13.040 8.113 1.00 2.30 C ATOM 422 C THR A 29 -3.948 12.895 8.560 1.00 2.50 C ATOM 423 O THR A 29 -4.806 12.551 7.743 1.00 2.44 O ATOM 424 CB THR A 29 -1.704 11.834 8.587 1.00 2.48 C ATOM 425 OG1 THR A 29 -1.335 11.974 9.966 1.00 2.75 O ATOM 426 CG2 THR A 29 -0.475 11.694 7.716 1.00 2.32 C ATOM 0 H THR A 29 -1.168 14.178 9.271 1.00 2.30 H new ATOM 0 HA THR A 29 -2.526 13.090 7.025 1.00 2.30 H new ATOM 0 HB THR A 29 -2.319 10.938 8.505 1.00 2.48 H new ATOM 0 HG1 THR A 29 -0.828 11.185 10.251 1.00 2.75 H new ATOM 0 HG21 THR A 29 0.106 10.831 8.042 1.00 2.32 H new ATOM 0 HG22 THR A 29 -0.778 11.556 6.678 1.00 2.32 H new ATOM 0 HG23 THR A 29 0.134 12.594 7.799 1.00 2.32 H new ATOM 434 N LYS A 30 -4.225 13.132 9.848 1.00 2.77 N ATOM 435 CA LYS A 30 -5.595 13.008 10.395 1.00 3.04 C ATOM 436 C LYS A 30 -6.629 13.805 9.576 1.00 2.98 C ATOM 437 O LYS A 30 -7.744 13.332 9.342 1.00 3.14 O ATOM 438 CB LYS A 30 -5.650 13.429 11.883 1.00 3.33 C ATOM 439 CG LYS A 30 -5.003 14.784 12.212 1.00 3.42 C ATOM 440 CD LYS A 30 -3.538 14.638 12.619 1.00 3.38 C ATOM 441 CE LYS A 30 -3.374 14.563 14.132 1.00 3.68 C ATOM 442 NZ LYS A 30 -1.947 14.416 14.530 1.00 3.70 N ATOM 0 H LYS A 30 -3.525 13.411 10.535 1.00 2.77 H new ATOM 0 HA LYS A 30 -5.860 11.953 10.322 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -6.694 13.459 12.196 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -5.161 12.658 12.479 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -5.074 15.439 11.344 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -5.557 15.263 13.019 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -3.122 13.739 12.164 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -2.968 15.483 12.233 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -3.787 15.464 14.587 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -3.947 13.720 14.518 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -1.879 14.369 15.567 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -1.560 13.543 14.117 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -1.404 15.233 14.184 1.00 3.70 H new ATOM 456 N GLU A 31 -6.232 15.008 9.154 1.00 2.81 N ATOM 457 CA GLU A 31 -7.094 15.897 8.367 1.00 2.81 C ATOM 458 C GLU A 31 -6.967 15.681 6.848 1.00 2.52 C ATOM 459 O GLU A 31 -7.761 16.251 6.091 1.00 2.57 O ATOM 460 CB GLU A 31 -6.799 17.361 8.727 1.00 2.89 C ATOM 461 CG GLU A 31 -7.180 17.728 10.160 1.00 3.24 C ATOM 462 CD GLU A 31 -6.535 19.017 10.640 1.00 3.22 C ATOM 463 OE1 GLU A 31 -5.288 19.073 10.703 1.00 3.26 O ATOM 464 OE2 GLU A 31 -7.277 19.967 10.964 1.00 3.60 O ATOM 0 H GLU A 31 -5.307 15.393 9.347 1.00 2.81 H new ATOM 0 HA GLU A 31 -8.124 15.650 8.625 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -5.736 17.555 8.582 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -7.339 18.011 8.039 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -8.264 17.825 10.227 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -6.890 16.915 10.826 1.00 3.24 H new ATOM 471 N LEU A 32 -5.990 14.863 6.386 1.00 2.26 N ATOM 472 CA LEU A 32 -5.838 14.632 4.936 1.00 1.98 C ATOM 473 C LEU A 32 -6.834 13.627 4.409 1.00 2.07 C ATOM 474 O LEU A 32 -7.289 13.740 3.278 1.00 1.98 O ATOM 475 CB LEU A 32 -4.421 14.250 4.515 1.00 1.69 C ATOM 476 CG LEU A 32 -3.779 12.955 5.021 1.00 1.74 C ATOM 477 CD1 LEU A 32 -4.251 11.702 4.286 1.00 1.76 C ATOM 478 CD2 LEU A 32 -2.317 13.113 4.794 1.00 1.59 C ATOM 0 H LEU A 32 -5.319 14.370 6.975 1.00 2.26 H new ATOM 0 HA LEU A 32 -6.049 15.600 4.480 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -4.410 14.210 3.426 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -3.766 15.070 4.811 1.00 1.69 H new ATOM 0 HG LEU A 32 -4.055 12.813 6.066 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -3.752 10.827 4.701 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -5.329 11.595 4.405 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.009 11.789 3.227 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -1.797 12.218 5.136 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -2.128 13.259 3.731 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -1.954 13.978 5.349 1.00 1.59 H new ATOM 490 N GLY A 33 -7.127 12.613 5.214 1.00 2.31 N ATOM 491 CA GLY A 33 -8.140 11.639 4.832 1.00 2.52 C ATOM 492 C GLY A 33 -9.482 12.304 4.725 1.00 2.75 C ATOM 493 O GLY A 33 -10.407 11.762 4.135 1.00 2.91 O ATOM 0 H GLY A 33 -6.687 12.445 6.119 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -7.875 11.182 3.878 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -8.181 10.837 5.569 1.00 2.52 H new ATOM 497 N THR A 34 -9.573 13.487 5.355 1.00 2.81 N ATOM 498 CA THR A 34 -10.759 14.319 5.296 1.00 3.07 C ATOM 499 C THR A 34 -10.889 14.862 3.886 1.00 2.93 C ATOM 500 O THR A 34 -11.944 15.330 3.449 1.00 3.16 O ATOM 501 CB THR A 34 -10.759 15.447 6.361 1.00 3.23 C ATOM 502 OG1 THR A 34 -10.257 14.941 7.606 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.160 16.011 6.586 1.00 3.60 C ATOM 0 H THR A 34 -8.819 13.883 5.917 1.00 2.81 H new ATOM 0 HA THR A 34 -11.631 13.710 5.537 1.00 3.07 H new ATOM 0 HB THR A 34 -10.119 16.248 5.990 1.00 3.23 H new ATOM 0 HG1 THR A 34 -10.258 15.658 8.274 1.00 3.30 H new ATOM 0 HG21 THR A 34 -12.119 16.798 7.339 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.541 16.422 5.651 1.00 3.60 H new ATOM 0 HG23 THR A 34 -12.822 15.216 6.929 1.00 3.60 H new ATOM 511 N VAL A 35 -9.755 14.773 3.214 1.00 2.56 N ATOM 512 CA VAL A 35 -9.626 15.105 1.800 1.00 2.39 C ATOM 513 C VAL A 35 -10.173 13.911 1.057 1.00 2.44 C ATOM 514 O VAL A 35 -10.843 14.067 0.042 1.00 2.53 O ATOM 515 CB VAL A 35 -8.159 15.325 1.278 1.00 2.01 C ATOM 516 CG1 VAL A 35 -8.125 15.452 -0.246 1.00 1.92 C ATOM 517 CG2 VAL A 35 -7.491 16.546 1.870 1.00 2.02 C ATOM 0 H VAL A 35 -8.881 14.463 3.640 1.00 2.56 H new ATOM 0 HA VAL A 35 -10.145 16.051 1.644 1.00 2.39 H new ATOM 0 HB VAL A 35 -7.607 14.442 1.599 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -7.097 15.603 -0.576 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -8.520 14.541 -0.696 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -8.734 16.302 -0.554 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -6.482 16.640 1.468 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -8.067 17.436 1.615 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.442 16.444 2.954 1.00 2.02 H new ATOM 527 N MET A 36 -9.886 12.706 1.598 1.00 2.44 N ATOM 528 CA MET A 36 -10.328 11.491 0.958 1.00 2.55 C ATOM 529 C MET A 36 -11.783 11.151 1.294 1.00 2.97 C ATOM 530 O MET A 36 -12.541 10.736 0.411 1.00 3.11 O ATOM 531 CB MET A 36 -9.421 10.326 1.347 1.00 2.49 C ATOM 532 CG MET A 36 -9.094 9.384 0.197 1.00 2.24 C ATOM 533 SD MET A 36 -8.059 7.993 0.701 1.00 2.48 S ATOM 534 CE MET A 36 -6.432 8.749 0.726 1.00 1.96 C ATOM 0 H MET A 36 -9.359 12.570 2.461 1.00 2.44 H new ATOM 0 HA MET A 36 -10.270 11.658 -0.118 1.00 2.55 H new ATOM 0 HB2 MET A 36 -8.491 10.723 1.753 1.00 2.49 H new ATOM 0 HB3 MET A 36 -9.900 9.757 2.144 1.00 2.49 H new ATOM 0 HG2 MET A 36 -10.022 9.004 -0.230 1.00 2.24 H new ATOM 0 HG3 MET A 36 -8.586 9.942 -0.590 1.00 2.24 H new ATOM 0 HE1 MET A 36 -5.854 8.342 1.556 1.00 1.96 H new ATOM 0 HE2 MET A 36 -5.918 8.538 -0.212 1.00 1.96 H new ATOM 0 HE3 MET A 36 -6.534 9.827 0.850 1.00 1.96 H new ATOM 544 N ARG A 37 -12.176 11.352 2.570 1.00 3.18 N ATOM 545 CA ARG A 37 -13.516 11.009 3.046 1.00 3.60 C ATOM 546 C ARG A 37 -14.624 11.854 2.402 1.00 3.77 C ATOM 547 O ARG A 37 -15.799 11.478 2.433 1.00 4.10 O ATOM 548 CB ARG A 37 -13.589 11.193 4.567 1.00 3.78 C ATOM 549 CG ARG A 37 -13.789 9.905 5.350 1.00 4.18 C ATOM 550 CD ARG A 37 -15.244 9.446 5.347 1.00 4.52 C ATOM 551 NE ARG A 37 -15.431 8.205 6.106 1.00 4.90 N ATOM 552 CZ ARG A 37 -16.603 7.569 6.255 1.00 5.36 C ATOM 553 NH1 ARG A 37 -17.719 8.042 5.702 1.00 5.45 N ATOM 554 NH2 ARG A 37 -16.655 6.450 6.965 1.00 5.91 N ATOM 0 H ARG A 37 -11.572 11.754 3.287 1.00 3.18 H new ATOM 0 HA ARG A 37 -13.684 9.970 2.763 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -12.670 11.671 4.907 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -14.407 11.875 4.799 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -13.162 9.122 4.923 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -13.459 10.052 6.378 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -15.872 10.229 5.772 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -15.574 9.296 4.319 1.00 4.52 H new ATOM 0 HE ARG A 37 -14.611 7.796 6.553 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -17.692 8.902 5.154 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -18.601 7.544 5.827 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -15.807 6.078 7.394 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -17.543 5.961 7.082 1.00 5.91 H new ATOM 568 N SER A 38 -14.226 12.990 1.823 1.00 3.57 N ATOM 569 CA SER A 38 -15.158 13.938 1.193 1.00 3.76 C ATOM 570 C SER A 38 -15.669 13.461 -0.173 1.00 3.81 C ATOM 571 O SER A 38 -16.743 13.886 -0.609 1.00 4.08 O ATOM 572 CB SER A 38 -14.482 15.305 1.044 1.00 3.59 C ATOM 573 OG SER A 38 -15.418 16.308 0.683 1.00 3.89 O ATOM 0 H SER A 38 -13.250 13.281 1.776 1.00 3.57 H new ATOM 0 HA SER A 38 -16.026 14.012 1.848 1.00 3.76 H new ATOM 0 HB2 SER A 38 -13.998 15.577 1.982 1.00 3.59 H new ATOM 0 HB3 SER A 38 -13.700 15.245 0.287 1.00 3.59 H new ATOM 0 HG SER A 38 -14.958 17.169 0.597 1.00 3.89 H new ATOM 579 N LEU A 39 -14.906 12.586 -0.839 1.00 3.59 N ATOM 580 CA LEU A 39 -15.301 12.074 -2.158 1.00 3.65 C ATOM 581 C LEU A 39 -16.031 10.731 -2.050 1.00 3.91 C ATOM 582 O LEU A 39 -16.569 10.228 -3.043 1.00 4.06 O ATOM 583 CB LEU A 39 -14.089 11.950 -3.087 1.00 3.29 C ATOM 584 CG LEU A 39 -13.235 13.211 -3.189 1.00 3.06 C ATOM 585 CD1 LEU A 39 -12.067 13.113 -2.239 1.00 2.78 C ATOM 586 CD2 LEU A 39 -12.758 13.445 -4.607 1.00 3.19 C ATOM 0 H LEU A 39 -14.020 12.220 -0.491 1.00 3.59 H new ATOM 0 HA LEU A 39 -15.994 12.797 -2.588 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -13.462 11.130 -2.737 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -14.438 11.682 -4.084 1.00 3.29 H new ATOM 0 HG LEU A 39 -13.850 14.067 -2.910 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -11.460 14.015 -2.315 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -12.436 13.008 -1.219 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -11.461 12.245 -2.496 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -12.153 14.351 -4.643 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -12.159 12.595 -4.934 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -13.619 13.557 -5.266 1.00 3.19 H new ATOM 598 N GLY A 40 -16.048 10.167 -0.837 1.00 4.01 N ATOM 599 CA GLY A 40 -16.712 8.893 -0.596 1.00 4.30 C ATOM 600 C GLY A 40 -15.740 7.738 -0.419 1.00 4.16 C ATOM 601 O GLY A 40 -16.090 6.588 -0.702 1.00 4.36 O ATOM 0 H GLY A 40 -15.609 10.576 -0.012 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -17.333 8.977 0.296 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -17.379 8.674 -1.430 1.00 4.30 H new ATOM 605 N GLN A 41 -14.518 8.042 0.050 1.00 3.86 N ATOM 606 CA GLN A 41 -13.484 7.026 0.271 1.00 3.74 C ATOM 607 C GLN A 41 -12.612 7.433 1.451 1.00 3.60 C ATOM 608 O GLN A 41 -11.936 8.457 1.402 1.00 3.46 O ATOM 609 CB GLN A 41 -12.603 6.857 -0.982 1.00 3.47 C ATOM 610 CG GLN A 41 -13.288 6.166 -2.158 1.00 3.68 C ATOM 611 CD GLN A 41 -13.358 4.657 -2.001 1.00 3.94 C ATOM 612 OE1 GLN A 41 -12.455 3.934 -2.423 1.00 4.34 O ATOM 613 NE2 GLN A 41 -14.435 4.175 -1.392 1.00 4.15 N ATOM 0 H GLN A 41 -14.224 8.990 0.284 1.00 3.86 H new ATOM 0 HA GLN A 41 -13.975 6.076 0.482 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -12.263 7.841 -1.305 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -11.715 6.286 -0.710 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -14.298 6.562 -2.267 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -12.751 6.406 -3.076 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -15.159 4.811 -1.058 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -14.538 3.169 -1.258 1.00 4.15 H new ATOM 622 N ASN A 42 -12.605 6.617 2.497 1.00 3.76 N ATOM 623 CA ASN A 42 -11.823 6.910 3.681 1.00 3.68 C ATOM 624 C ASN A 42 -10.514 6.078 3.673 1.00 3.53 C ATOM 625 O ASN A 42 -10.559 4.905 3.291 1.00 3.67 O ATOM 626 CB ASN A 42 -12.651 6.578 4.938 1.00 4.06 C ATOM 627 CG ASN A 42 -12.064 7.120 6.240 1.00 4.60 C ATOM 628 OD1 ASN A 42 -11.495 8.211 6.283 1.00 4.82 O ATOM 629 ND2 ASN A 42 -12.203 6.348 7.312 1.00 5.19 N ATOM 0 H ASN A 42 -13.135 5.747 2.545 1.00 3.76 H new ATOM 0 HA ASN A 42 -11.564 7.969 3.689 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -13.657 6.979 4.812 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -12.747 5.495 5.020 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -11.832 6.653 8.212 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -12.681 5.450 7.235 1.00 5.19 H new ATOM 636 N PRO A 43 -9.332 6.644 4.085 1.00 3.30 N ATOM 637 CA PRO A 43 -8.063 5.893 4.117 1.00 3.22 C ATOM 638 C PRO A 43 -7.876 5.111 5.429 1.00 3.54 C ATOM 639 O PRO A 43 -8.676 5.256 6.358 1.00 3.81 O ATOM 640 CB PRO A 43 -6.991 6.993 3.985 1.00 2.89 C ATOM 641 CG PRO A 43 -7.715 8.309 4.007 1.00 2.92 C ATOM 642 CD PRO A 43 -9.101 8.036 4.523 1.00 3.17 C ATOM 0 HA PRO A 43 -8.017 5.139 3.331 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -6.273 6.933 4.803 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -6.429 6.876 3.058 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -7.198 9.024 4.648 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -7.753 8.745 3.009 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.158 8.136 5.607 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -9.835 8.722 4.100 1.00 3.17 H new ATOM 650 N THR A 44 -6.815 4.283 5.494 1.00 3.56 N ATOM 651 CA THR A 44 -6.515 3.475 6.691 1.00 3.90 C ATOM 652 C THR A 44 -5.964 4.351 7.828 1.00 3.85 C ATOM 653 O THR A 44 -5.602 5.506 7.602 1.00 3.54 O ATOM 654 CB THR A 44 -5.507 2.341 6.387 1.00 4.01 C ATOM 655 OG1 THR A 44 -5.377 2.145 4.972 1.00 3.86 O ATOM 656 CG2 THR A 44 -5.951 1.037 7.036 1.00 4.50 C ATOM 0 H THR A 44 -6.151 4.157 4.730 1.00 3.56 H new ATOM 0 HA THR A 44 -7.457 3.026 7.005 1.00 3.90 H new ATOM 0 HB THR A 44 -4.542 2.636 6.799 1.00 4.01 H new ATOM 0 HG1 THR A 44 -4.981 1.265 4.799 1.00 3.86 H new ATOM 0 HG21 THR A 44 -5.228 0.253 6.810 1.00 4.50 H new ATOM 0 HG22 THR A 44 -6.014 1.171 8.116 1.00 4.50 H new ATOM 0 HG23 THR A 44 -6.929 0.752 6.648 1.00 4.50 H new ATOM 664 N GLU A 45 -5.910 3.788 9.045 1.00 4.21 N ATOM 665 CA GLU A 45 -5.431 4.514 10.234 1.00 4.27 C ATOM 666 C GLU A 45 -3.899 4.582 10.329 1.00 4.16 C ATOM 667 O GLU A 45 -3.349 5.626 10.694 1.00 4.02 O ATOM 668 CB GLU A 45 -5.995 3.873 11.507 1.00 4.73 C ATOM 669 CG GLU A 45 -7.474 4.151 11.734 1.00 4.87 C ATOM 670 CD GLU A 45 -8.000 3.508 13.002 1.00 5.41 C ATOM 671 OE1 GLU A 45 -7.946 4.161 14.065 1.00 5.67 O ATOM 672 OE2 GLU A 45 -8.467 2.352 12.932 1.00 5.89 O ATOM 0 H GLU A 45 -6.194 2.826 9.233 1.00 4.21 H new ATOM 0 HA GLU A 45 -5.790 5.538 10.133 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -5.841 2.795 11.458 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -5.431 4.237 12.366 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -7.634 5.228 11.784 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -8.044 3.783 10.881 1.00 4.87 H new ATOM 679 N ALA A 46 -3.219 3.475 10.002 1.00 4.29 N ATOM 680 CA ALA A 46 -1.753 3.405 10.086 1.00 4.30 C ATOM 681 C ALA A 46 -1.052 3.784 8.781 1.00 3.96 C ATOM 682 O ALA A 46 0.048 4.342 8.809 1.00 3.93 O ATOM 683 CB ALA A 46 -1.321 2.009 10.506 1.00 4.70 C ATOM 0 H ALA A 46 -3.660 2.615 9.677 1.00 4.29 H new ATOM 0 HA ALA A 46 -1.453 4.139 10.834 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -0.233 1.967 10.565 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -1.747 1.774 11.481 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -1.672 1.283 9.773 1.00 4.70 H new ATOM 689 N GLU A 47 -1.691 3.481 7.642 1.00 3.76 N ATOM 690 CA GLU A 47 -1.120 3.758 6.316 1.00 3.47 C ATOM 691 C GLU A 47 -0.913 5.245 6.038 1.00 3.09 C ATOM 692 O GLU A 47 -0.086 5.598 5.195 1.00 2.91 O ATOM 693 CB GLU A 47 -1.964 3.103 5.217 1.00 3.43 C ATOM 694 CG GLU A 47 -1.834 1.586 5.165 1.00 3.78 C ATOM 695 CD GLU A 47 -2.566 0.974 3.986 1.00 3.77 C ATOM 696 OE1 GLU A 47 -3.593 0.300 4.209 1.00 3.72 O ATOM 697 OE2 GLU A 47 -2.111 1.168 2.839 1.00 4.19 O ATOM 0 H GLU A 47 -2.611 3.041 7.613 1.00 3.76 H new ATOM 0 HA GLU A 47 -0.124 3.314 6.312 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -3.011 3.364 5.372 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -1.672 3.517 4.252 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -0.779 1.318 5.111 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -2.224 1.160 6.090 1.00 3.78 H new ATOM 704 N LEU A 48 -1.659 6.116 6.729 1.00 3.03 N ATOM 705 CA LEU A 48 -1.485 7.572 6.578 1.00 2.71 C ATOM 706 C LEU A 48 -0.081 7.979 7.017 1.00 2.75 C ATOM 707 O LEU A 48 0.437 9.004 6.599 1.00 2.53 O ATOM 708 CB LEU A 48 -2.469 8.370 7.428 1.00 2.77 C ATOM 709 CG LEU A 48 -3.923 7.924 7.398 1.00 2.90 C ATOM 710 CD1 LEU A 48 -4.577 8.141 8.755 1.00 3.19 C ATOM 711 CD2 LEU A 48 -4.649 8.701 6.327 1.00 2.63 C ATOM 0 H LEU A 48 -2.384 5.844 7.393 1.00 3.03 H new ATOM 0 HA LEU A 48 -1.659 7.792 5.525 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -2.126 8.340 8.462 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -2.427 9.411 7.108 1.00 2.77 H new ATOM 0 HG LEU A 48 -3.974 6.859 7.172 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -5.617 7.816 8.714 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -4.046 7.563 9.511 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -4.537 9.199 9.013 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -5.693 8.390 6.296 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -4.595 9.766 6.550 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -4.184 8.509 5.360 1.00 2.63 H new ATOM 723 N GLN A 49 0.495 7.171 7.906 1.00 3.08 N ATOM 724 CA GLN A 49 1.844 7.395 8.419 1.00 3.22 C ATOM 725 C GLN A 49 2.914 6.914 7.432 1.00 3.25 C ATOM 726 O GLN A 49 3.942 7.575 7.278 1.00 3.25 O ATOM 727 CB GLN A 49 2.028 6.688 9.767 1.00 3.61 C ATOM 728 CG GLN A 49 1.304 7.364 10.922 1.00 3.67 C ATOM 729 CD GLN A 49 1.506 6.641 12.239 1.00 4.10 C ATOM 730 OE1 GLN A 49 2.445 6.928 12.981 1.00 4.58 O ATOM 731 NE2 GLN A 49 0.623 5.694 12.536 1.00 4.30 N ATOM 0 H GLN A 49 0.039 6.343 8.290 1.00 3.08 H new ATOM 0 HA GLN A 49 1.966 8.470 8.553 1.00 3.22 H new ATOM 0 HB2 GLN A 49 1.672 5.661 9.679 1.00 3.61 H new ATOM 0 HB3 GLN A 49 3.092 6.638 9.998 1.00 3.61 H new ATOM 0 HG2 GLN A 49 1.658 8.390 11.017 1.00 3.67 H new ATOM 0 HG3 GLN A 49 0.238 7.414 10.699 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -0.141 5.489 11.892 1.00 4.30 H new ATOM 0 HE22 GLN A 49 0.709 5.172 13.408 1.00 4.30 H new ATOM 740 N ASP A 50 2.672 5.764 6.770 1.00 3.34 N ATOM 741 CA ASP A 50 3.644 5.208 5.817 1.00 3.43 C ATOM 742 C ASP A 50 3.470 5.733 4.384 1.00 3.13 C ATOM 743 O ASP A 50 4.453 6.111 3.743 1.00 3.13 O ATOM 744 CB ASP A 50 3.596 3.690 5.813 1.00 3.76 C ATOM 745 CG ASP A 50 4.077 3.079 7.117 1.00 4.11 C ATOM 746 OD1 ASP A 50 3.239 2.870 8.019 1.00 4.38 O ATOM 747 OD2 ASP A 50 5.291 2.810 7.235 1.00 4.38 O ATOM 0 H ASP A 50 1.822 5.211 6.878 1.00 3.34 H new ATOM 0 HA ASP A 50 4.620 5.547 6.165 1.00 3.43 H new ATOM 0 HB2 ASP A 50 2.574 3.365 5.621 1.00 3.76 H new ATOM 0 HB3 ASP A 50 4.209 3.315 4.994 1.00 3.76 H new ATOM 752 N MET A 51 2.226 5.728 3.867 1.00 2.93 N ATOM 753 CA MET A 51 1.938 6.212 2.494 1.00 2.66 C ATOM 754 C MET A 51 2.294 7.672 2.362 1.00 2.39 C ATOM 755 O MET A 51 2.800 8.122 1.331 1.00 2.30 O ATOM 756 CB MET A 51 0.464 6.007 2.132 1.00 2.59 C ATOM 757 CG MET A 51 -0.040 4.577 2.299 1.00 2.35 C ATOM 758 SD MET A 51 -1.818 4.394 1.992 1.00 2.18 S ATOM 759 CE MET A 51 -2.540 5.658 3.048 1.00 2.48 C ATOM 0 H MET A 51 1.405 5.397 4.373 1.00 2.93 H new ATOM 0 HA MET A 51 2.549 5.629 1.804 1.00 2.66 H new ATOM 0 HB2 MET A 51 -0.143 6.667 2.752 1.00 2.59 H new ATOM 0 HB3 MET A 51 0.312 6.313 1.097 1.00 2.59 H new ATOM 0 HG2 MET A 51 0.507 3.926 1.617 1.00 2.35 H new ATOM 0 HG3 MET A 51 0.182 4.238 3.311 1.00 2.35 H new ATOM 0 HE1 MET A 51 -3.263 5.199 3.722 1.00 2.48 H new ATOM 0 HE2 MET A 51 -1.754 6.138 3.631 1.00 2.48 H new ATOM 0 HE3 MET A 51 -3.041 6.404 2.432 1.00 2.48 H new ATOM 769 N ILE A 52 2.004 8.393 3.426 1.00 2.33 N ATOM 770 CA ILE A 52 2.314 9.793 3.541 1.00 2.15 C ATOM 771 C ILE A 52 3.808 9.975 3.744 1.00 2.40 C ATOM 772 O ILE A 52 4.357 11.028 3.473 1.00 2.36 O ATOM 773 CB ILE A 52 1.472 10.397 4.681 1.00 2.10 C ATOM 774 CG1 ILE A 52 0.214 11.001 4.084 1.00 1.78 C ATOM 775 CG2 ILE A 52 2.224 11.408 5.541 1.00 2.22 C ATOM 776 CD1 ILE A 52 -0.994 10.088 4.134 1.00 1.85 C ATOM 0 H ILE A 52 1.537 8.009 4.248 1.00 2.33 H new ATOM 0 HA ILE A 52 2.058 10.325 2.625 1.00 2.15 H new ATOM 0 HB ILE A 52 1.218 9.590 5.368 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -0.020 11.924 4.614 1.00 1.78 H new ATOM 0 HG13 ILE A 52 0.410 11.270 3.046 1.00 1.78 H new ATOM 0 HG21 ILE A 52 1.562 11.786 6.320 1.00 2.22 H new ATOM 0 HG22 ILE A 52 3.086 10.925 6.000 1.00 2.22 H new ATOM 0 HG23 ILE A 52 2.561 12.236 4.918 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -1.851 10.593 3.688 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -0.783 9.174 3.579 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -1.219 9.839 5.171 1.00 1.85 H new ATOM 788 N ASN A 53 4.447 8.909 4.204 1.00 2.72 N ATOM 789 CA ASN A 53 5.881 8.892 4.418 1.00 3.03 C ATOM 790 C ASN A 53 6.595 8.748 3.101 1.00 3.09 C ATOM 791 O ASN A 53 7.812 8.878 2.991 1.00 3.36 O ATOM 792 CB ASN A 53 6.244 7.752 5.372 1.00 3.37 C ATOM 793 CG ASN A 53 7.677 7.805 5.881 1.00 3.66 C ATOM 794 OD1 ASN A 53 7.959 8.414 6.913 1.00 3.89 O ATOM 795 ND2 ASN A 53 8.587 7.166 5.155 1.00 3.98 N ATOM 0 H ASN A 53 3.982 8.032 4.439 1.00 2.72 H new ATOM 0 HA ASN A 53 6.196 9.832 4.871 1.00 3.03 H new ATOM 0 HB2 ASN A 53 5.565 7.775 6.225 1.00 3.37 H new ATOM 0 HB3 ASN A 53 6.085 6.801 4.863 1.00 3.37 H new ATOM 0 HD21 ASN A 53 9.565 7.167 5.446 1.00 3.98 H new ATOM 0 HD22 ASN A 53 8.308 6.674 4.306 1.00 3.98 H new ATOM 802 N GLU A 54 5.795 8.407 2.149 1.00 2.90 N ATOM 803 CA GLU A 54 6.221 8.281 0.767 1.00 2.96 C ATOM 804 C GLU A 54 6.078 9.622 0.045 1.00 2.77 C ATOM 805 O GLU A 54 6.689 9.835 -1.007 1.00 2.93 O ATOM 806 CB GLU A 54 5.399 7.205 0.044 1.00 2.91 C ATOM 807 CG GLU A 54 5.668 5.788 0.535 1.00 3.22 C ATOM 808 CD GLU A 54 4.796 4.756 -0.152 1.00 3.25 C ATOM 809 OE1 GLU A 54 5.216 4.231 -1.205 1.00 3.56 O ATOM 810 OE2 GLU A 54 3.694 4.473 0.362 1.00 3.40 O ATOM 0 H GLU A 54 4.807 8.201 2.295 1.00 2.90 H new ATOM 0 HA GLU A 54 7.269 7.983 0.757 1.00 2.96 H new ATOM 0 HB2 GLU A 54 4.339 7.427 0.168 1.00 2.91 H new ATOM 0 HB3 GLU A 54 5.612 7.255 -1.024 1.00 2.91 H new ATOM 0 HG2 GLU A 54 6.716 5.542 0.366 1.00 3.22 H new ATOM 0 HG3 GLU A 54 5.499 5.742 1.611 1.00 3.22 H new ATOM 817 N VAL A 55 5.266 10.518 0.625 1.00 2.49 N ATOM 818 CA VAL A 55 5.026 11.841 0.032 1.00 2.36 C ATOM 819 C VAL A 55 5.268 13.012 0.976 1.00 2.40 C ATOM 820 O VAL A 55 5.447 14.143 0.512 1.00 2.49 O ATOM 821 CB VAL A 55 3.603 11.970 -0.588 1.00 1.99 C ATOM 822 CG1 VAL A 55 3.412 10.961 -1.702 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.497 11.793 0.455 1.00 2.07 C ATOM 0 H VAL A 55 4.767 10.352 1.499 1.00 2.49 H new ATOM 0 HA VAL A 55 5.774 11.903 -0.758 1.00 2.36 H new ATOM 0 HB VAL A 55 3.527 12.980 -0.990 1.00 1.99 H new ATOM 0 HG11 VAL A 55 2.412 11.068 -2.122 1.00 2.37 H new ATOM 0 HG12 VAL A 55 4.153 11.135 -2.482 1.00 2.37 H new ATOM 0 HG13 VAL A 55 3.533 9.953 -1.305 1.00 2.37 H new ATOM 0 HG21 VAL A 55 1.524 11.892 -0.026 1.00 2.07 H new ATOM 0 HG22 VAL A 55 2.579 10.805 0.908 1.00 2.07 H new ATOM 0 HG23 VAL A 55 2.599 12.556 1.227 1.00 2.07 H new ATOM 833 N ALA A 56 5.276 12.759 2.277 1.00 2.43 N ATOM 834 CA ALA A 56 5.477 13.830 3.237 1.00 2.53 C ATOM 835 C ALA A 56 6.868 13.698 3.828 1.00 2.90 C ATOM 836 O ALA A 56 7.212 14.326 4.838 1.00 3.05 O ATOM 837 CB ALA A 56 4.389 13.793 4.297 1.00 2.36 C ATOM 0 H ALA A 56 5.147 11.834 2.686 1.00 2.43 H new ATOM 0 HA ALA A 56 5.406 14.802 2.749 1.00 2.53 H new ATOM 0 HB1 ALA A 56 4.550 14.600 5.012 1.00 2.36 H new ATOM 0 HB2 ALA A 56 3.415 13.916 3.823 1.00 2.36 H new ATOM 0 HB3 ALA A 56 4.421 12.836 4.818 1.00 2.36 H new ATOM 843 N ALA A 57 7.665 12.872 3.147 1.00 3.08 N ATOM 844 CA ALA A 57 9.030 12.603 3.540 1.00 3.45 C ATOM 845 C ALA A 57 10.014 13.478 2.798 1.00 3.67 C ATOM 846 O ALA A 57 9.986 13.595 1.571 1.00 3.69 O ATOM 847 CB ALA A 57 9.373 11.140 3.363 1.00 3.64 C ATOM 0 H ALA A 57 7.371 12.374 2.306 1.00 3.08 H new ATOM 0 HA ALA A 57 9.110 12.846 4.600 1.00 3.45 H new ATOM 0 HB1 ALA A 57 10.406 10.969 3.667 1.00 3.64 H new ATOM 0 HB2 ALA A 57 8.709 10.533 3.978 1.00 3.64 H new ATOM 0 HB3 ALA A 57 9.252 10.862 2.316 1.00 3.64 H new ATOM 886 N GLY A 61 7.592 17.396 8.561 1.00 3.52 N ATOM 887 CA GLY A 61 6.644 17.099 9.631 1.00 3.44 C ATOM 888 C GLY A 61 5.191 17.060 9.172 1.00 3.11 C ATOM 889 O GLY A 61 4.298 16.797 9.982 1.00 3.10 O ATOM 0 HA2 GLY A 61 6.901 16.137 10.075 1.00 3.44 H new ATOM 0 HA3 GLY A 61 6.748 17.850 10.415 1.00 3.44 H new ATOM 893 N THR A 62 4.955 17.319 7.876 1.00 2.91 N ATOM 894 CA THR A 62 3.604 17.290 7.299 1.00 2.61 C ATOM 895 C THR A 62 3.636 16.839 5.829 1.00 2.41 C ATOM 896 O THR A 62 4.699 16.525 5.289 1.00 2.55 O ATOM 897 CB THR A 62 2.876 18.653 7.415 1.00 2.62 C ATOM 898 OG1 THR A 62 3.757 19.718 7.045 1.00 2.84 O ATOM 899 CG2 THR A 62 2.358 18.879 8.830 1.00 2.75 C ATOM 0 H THR A 62 5.688 17.552 7.206 1.00 2.91 H new ATOM 0 HA THR A 62 3.040 16.564 7.884 1.00 2.61 H new ATOM 0 HB THR A 62 2.024 18.638 6.735 1.00 2.62 H new ATOM 0 HG1 THR A 62 3.276 20.360 6.482 1.00 2.84 H new ATOM 0 HG21 THR A 62 1.852 19.843 8.882 1.00 2.75 H new ATOM 0 HG22 THR A 62 1.657 18.086 9.092 1.00 2.75 H new ATOM 0 HG23 THR A 62 3.194 18.870 9.529 1.00 2.75 H new ATOM 907 N ILE A 63 2.458 16.858 5.198 1.00 2.14 N ATOM 908 CA ILE A 63 2.253 16.414 3.825 1.00 1.93 C ATOM 909 C ILE A 63 2.036 17.562 2.884 1.00 1.95 C ATOM 910 O ILE A 63 1.270 18.460 3.174 1.00 1.99 O ATOM 911 CB ILE A 63 0.944 15.632 3.629 1.00 1.63 C ATOM 912 CG1 ILE A 63 0.142 15.452 4.930 1.00 1.70 C ATOM 913 CG2 ILE A 63 1.094 14.292 2.889 1.00 1.51 C ATOM 914 CD1 ILE A 63 0.709 14.412 5.869 1.00 1.95 C ATOM 0 H ILE A 63 1.603 17.191 5.643 1.00 2.14 H new ATOM 0 HA ILE A 63 3.149 15.826 3.629 1.00 1.93 H new ATOM 0 HB ILE A 63 0.368 16.278 2.967 1.00 1.63 H new ATOM 0 HG12 ILE A 63 0.096 16.409 5.450 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -0.882 15.177 4.677 1.00 1.70 H new ATOM 0 HG21 ILE A 63 0.118 13.815 2.799 1.00 1.51 H new ATOM 0 HG22 ILE A 63 1.504 14.469 1.895 1.00 1.51 H new ATOM 0 HG23 ILE A 63 1.766 13.641 3.448 1.00 1.51 H new ATOM 0 HD11 ILE A 63 0.085 14.348 6.760 1.00 1.95 H new ATOM 0 HD12 ILE A 63 0.729 13.443 5.370 1.00 1.95 H new ATOM 0 HD13 ILE A 63 1.722 14.694 6.155 1.00 1.95 H new ATOM 926 N ASP A 64 2.619 17.453 1.721 1.00 2.01 N ATOM 927 CA ASP A 64 2.445 18.430 0.674 1.00 2.12 C ATOM 928 C ASP A 64 1.416 17.892 -0.326 1.00 1.86 C ATOM 929 O ASP A 64 1.230 16.676 -0.424 1.00 1.62 O ATOM 930 CB ASP A 64 3.761 18.803 -0.027 1.00 2.46 C ATOM 931 CG ASP A 64 4.625 17.607 -0.410 1.00 2.46 C ATOM 932 OD1 ASP A 64 4.462 17.093 -1.536 1.00 2.68 O ATOM 933 OD2 ASP A 64 5.461 17.190 0.419 1.00 2.74 O ATOM 0 H ASP A 64 3.233 16.679 1.469 1.00 2.01 H new ATOM 0 HA ASP A 64 2.086 19.355 1.125 1.00 2.12 H new ATOM 0 HB2 ASP A 64 3.531 19.374 -0.927 1.00 2.46 H new ATOM 0 HB3 ASP A 64 4.336 19.458 0.628 1.00 2.46 H new ATOM 938 N PHE A 65 0.764 18.786 -1.069 1.00 1.97 N ATOM 939 CA PHE A 65 -0.291 18.388 -2.011 1.00 1.80 C ATOM 940 C PHE A 65 0.225 17.654 -3.288 1.00 1.83 C ATOM 941 O PHE A 65 -0.330 16.608 -3.633 1.00 1.60 O ATOM 942 CB PHE A 65 -1.126 19.617 -2.413 1.00 2.04 C ATOM 943 CG PHE A 65 -2.457 19.290 -3.055 1.00 1.95 C ATOM 944 CD1 PHE A 65 -3.441 18.645 -2.330 1.00 2.40 C ATOM 945 CD2 PHE A 65 -2.722 19.637 -4.367 1.00 2.11 C ATOM 946 CE1 PHE A 65 -4.664 18.345 -2.880 1.00 2.45 C ATOM 947 CE2 PHE A 65 -3.945 19.341 -4.937 1.00 2.08 C ATOM 948 CZ PHE A 65 -4.917 18.694 -4.192 1.00 1.96 C ATOM 0 H PHE A 65 0.945 19.789 -1.040 1.00 1.97 H new ATOM 0 HA PHE A 65 -0.905 17.661 -1.479 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -1.305 20.225 -1.526 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.543 20.226 -3.105 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -3.244 18.370 -1.305 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -1.967 20.143 -4.950 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -5.418 17.842 -2.293 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -4.143 19.614 -5.963 1.00 2.08 H new ATOM 0 HZ PHE A 65 -5.873 18.462 -4.637 1.00 1.96 H new ATOM 958 N PRO A 66 1.279 18.180 -4.010 1.00 2.16 N ATOM 959 CA PRO A 66 1.820 17.592 -5.270 1.00 2.30 C ATOM 960 C PRO A 66 1.878 16.047 -5.363 1.00 2.09 C ATOM 961 O PRO A 66 1.296 15.472 -6.286 1.00 2.04 O ATOM 962 CB PRO A 66 3.244 18.187 -5.364 1.00 2.67 C ATOM 963 CG PRO A 66 3.424 19.042 -4.149 1.00 2.78 C ATOM 964 CD PRO A 66 2.045 19.400 -3.687 1.00 2.48 C ATOM 0 HA PRO A 66 1.145 17.840 -6.090 1.00 2.30 H new ATOM 0 HB2 PRO A 66 3.994 17.397 -5.398 1.00 2.67 H new ATOM 0 HB3 PRO A 66 3.360 18.776 -6.274 1.00 2.67 H new ATOM 0 HG2 PRO A 66 3.969 18.506 -3.372 1.00 2.78 H new ATOM 0 HG3 PRO A 66 4.001 19.936 -4.383 1.00 2.78 H new ATOM 0 HD2 PRO A 66 2.019 19.626 -2.621 1.00 2.48 H new ATOM 0 HD3 PRO A 66 1.656 20.275 -4.208 1.00 2.48 H new ATOM 972 N GLU A 67 2.579 15.386 -4.430 1.00 2.04 N ATOM 973 CA GLU A 67 2.727 13.924 -4.460 1.00 1.95 C ATOM 974 C GLU A 67 1.641 13.173 -3.721 1.00 1.60 C ATOM 975 O GLU A 67 1.493 11.955 -3.859 1.00 1.59 O ATOM 976 CB GLU A 67 4.120 13.492 -3.987 1.00 2.24 C ATOM 977 CG GLU A 67 5.240 13.853 -4.952 1.00 2.61 C ATOM 978 CD GLU A 67 6.602 13.408 -4.457 1.00 3.15 C ATOM 979 OE1 GLU A 67 7.008 12.271 -4.778 1.00 3.47 O ATOM 980 OE2 GLU A 67 7.263 14.197 -3.749 1.00 3.66 O ATOM 0 H GLU A 67 3.051 15.839 -3.648 1.00 2.04 H new ATOM 0 HA GLU A 67 2.611 13.646 -5.508 1.00 1.95 H new ATOM 0 HB2 GLU A 67 4.324 13.953 -3.021 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.122 12.413 -3.832 1.00 2.24 H new ATOM 0 HG2 GLU A 67 5.042 13.394 -5.921 1.00 2.61 H new ATOM 0 HG3 GLU A 67 5.248 14.932 -5.106 1.00 2.61 H new ATOM 987 N PHE A 68 0.898 13.912 -2.950 1.00 1.40 N ATOM 988 CA PHE A 68 -0.212 13.371 -2.156 1.00 1.10 C ATOM 989 C PHE A 68 -1.323 12.840 -3.094 1.00 0.99 C ATOM 990 O PHE A 68 -2.034 11.899 -2.737 1.00 0.94 O ATOM 991 CB PHE A 68 -0.683 14.455 -1.163 1.00 1.04 C ATOM 992 CG PHE A 68 -1.964 14.210 -0.400 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.027 13.310 0.662 1.00 1.36 C ATOM 994 CD2 PHE A 68 -3.089 14.964 -0.697 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.180 13.181 1.394 1.00 1.57 C ATOM 996 CE2 PHE A 68 -4.254 14.820 0.028 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.302 13.933 1.080 1.00 1.15 C ATOM 0 H PHE A 68 1.031 14.917 -2.841 1.00 1.40 H new ATOM 0 HA PHE A 68 0.103 12.513 -1.562 1.00 1.10 H new ATOM 0 HB2 PHE A 68 0.114 14.611 -0.436 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.797 15.387 -1.716 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.163 12.711 0.910 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -3.053 15.675 -1.509 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.214 12.488 2.222 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -5.127 15.402 -0.229 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.208 13.824 1.657 1.00 1.15 H new ATOM 1007 N LEU A 69 -1.457 13.458 -4.293 1.00 1.15 N ATOM 1008 CA LEU A 69 -2.431 13.003 -5.313 1.00 1.24 C ATOM 1009 C LEU A 69 -1.868 11.850 -6.138 1.00 1.42 C ATOM 1010 O LEU A 69 -2.607 10.950 -6.542 1.00 1.53 O ATOM 1011 CB LEU A 69 -2.862 14.101 -6.293 1.00 1.51 C ATOM 1012 CG LEU A 69 -2.827 15.535 -5.794 1.00 1.59 C ATOM 1013 CD1 LEU A 69 -1.627 16.234 -6.380 1.00 1.82 C ATOM 1014 CD2 LEU A 69 -4.092 16.257 -6.196 1.00 1.76 C ATOM 0 H LEU A 69 -0.906 14.268 -4.576 1.00 1.15 H new ATOM 0 HA LEU A 69 -3.303 12.690 -4.738 1.00 1.24 H new ATOM 0 HB2 LEU A 69 -2.224 14.035 -7.174 1.00 1.51 H new ATOM 0 HB3 LEU A 69 -3.879 13.882 -6.618 1.00 1.51 H new ATOM 0 HG LEU A 69 -2.756 15.538 -4.706 1.00 1.59 H new ATOM 0 HD11 LEU A 69 -1.597 17.264 -6.025 1.00 1.82 H new ATOM 0 HD12 LEU A 69 -0.718 15.717 -6.072 1.00 1.82 H new ATOM 0 HD13 LEU A 69 -1.697 16.227 -7.468 1.00 1.82 H new ATOM 0 HD21 LEU A 69 -4.056 17.284 -5.833 1.00 1.76 H new ATOM 0 HD22 LEU A 69 -4.180 16.259 -7.282 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -4.954 15.749 -5.763 1.00 1.76 H new ATOM 1026 N THR A 70 -0.550 11.897 -6.405 1.00 1.58 N ATOM 1027 CA THR A 70 0.122 10.854 -7.208 1.00 1.88 C ATOM 1028 C THR A 70 0.025 9.494 -6.520 1.00 1.87 C ATOM 1029 O THR A 70 -0.079 8.456 -7.178 1.00 2.04 O ATOM 1030 CB THR A 70 1.607 11.182 -7.487 1.00 2.19 C ATOM 1031 OG1 THR A 70 2.284 11.506 -6.270 1.00 2.14 O ATOM 1032 CG2 THR A 70 1.740 12.337 -8.472 1.00 2.80 C ATOM 0 H THR A 70 0.069 12.640 -6.080 1.00 1.58 H new ATOM 0 HA THR A 70 -0.398 10.822 -8.165 1.00 1.88 H new ATOM 0 HB THR A 70 2.065 10.297 -7.928 1.00 2.19 H new ATOM 0 HG1 THR A 70 1.688 11.340 -5.510 1.00 2.14 H new ATOM 0 HG21 THR A 70 2.795 12.545 -8.649 1.00 2.80 H new ATOM 0 HG22 THR A 70 1.260 12.069 -9.413 1.00 2.80 H new ATOM 0 HG23 THR A 70 1.260 13.224 -8.059 1.00 2.80 H new ATOM 1040 N MET A 71 0.060 9.532 -5.184 1.00 1.77 N ATOM 1041 CA MET A 71 -0.063 8.338 -4.346 1.00 1.91 C ATOM 1042 C MET A 71 -1.544 7.949 -4.167 1.00 1.83 C ATOM 1043 O MET A 71 -1.857 6.799 -3.868 1.00 2.06 O ATOM 1044 CB MET A 71 0.621 8.566 -2.981 1.00 2.01 C ATOM 1045 CG MET A 71 0.067 9.741 -2.170 1.00 2.31 C ATOM 1046 SD MET A 71 -1.165 9.222 -0.968 1.00 2.07 S ATOM 1047 CE MET A 71 -0.130 9.002 0.476 1.00 1.57 C ATOM 0 H MET A 71 0.175 10.395 -4.653 1.00 1.77 H new ATOM 0 HA MET A 71 0.442 7.510 -4.844 1.00 1.91 H new ATOM 0 HB2 MET A 71 0.526 7.657 -2.387 1.00 2.01 H new ATOM 0 HB3 MET A 71 1.686 8.728 -3.147 1.00 2.01 H new ATOM 0 HG2 MET A 71 0.886 10.241 -1.654 1.00 2.31 H new ATOM 0 HG3 MET A 71 -0.375 10.471 -2.848 1.00 2.31 H new ATOM 0 HE1 MET A 71 -0.698 8.497 1.257 1.00 1.57 H new ATOM 0 HE2 MET A 71 0.739 8.400 0.212 1.00 1.57 H new ATOM 0 HE3 MET A 71 0.200 9.975 0.839 1.00 1.57 H new ATOM 1057 N MET A 72 -2.441 8.937 -4.361 1.00 1.61 N ATOM 1058 CA MET A 72 -3.899 8.753 -4.223 1.00 1.69 C ATOM 1059 C MET A 72 -4.441 7.612 -5.099 1.00 1.97 C ATOM 1060 O MET A 72 -5.314 6.857 -4.660 1.00 2.17 O ATOM 1061 CB MET A 72 -4.620 10.064 -4.553 1.00 1.60 C ATOM 1062 CG MET A 72 -4.832 10.962 -3.344 1.00 1.46 C ATOM 1063 SD MET A 72 -6.048 10.304 -2.189 1.00 1.69 S ATOM 1064 CE MET A 72 -6.308 11.728 -1.133 1.00 1.53 C ATOM 0 H MET A 72 -2.173 9.887 -4.618 1.00 1.61 H new ATOM 0 HA MET A 72 -4.093 8.473 -3.188 1.00 1.69 H new ATOM 0 HB2 MET A 72 -4.044 10.607 -5.302 1.00 1.60 H new ATOM 0 HB3 MET A 72 -5.588 9.835 -4.999 1.00 1.60 H new ATOM 0 HG2 MET A 72 -3.882 11.097 -2.827 1.00 1.46 H new ATOM 0 HG3 MET A 72 -5.154 11.947 -3.681 1.00 1.46 H new ATOM 0 HE1 MET A 72 -7.364 11.801 -0.874 1.00 1.53 H new ATOM 0 HE2 MET A 72 -5.718 11.619 -0.223 1.00 1.53 H new ATOM 0 HE3 MET A 72 -6.000 12.632 -1.659 1.00 1.53 H new ATOM 1207 N SER A 81 -5.062 -4.537 -4.844 1.00 3.49 N ATOM 1208 CA SER A 81 -4.089 -5.623 -4.974 1.00 3.36 C ATOM 1209 C SER A 81 -4.052 -6.538 -3.743 1.00 2.88 C ATOM 1210 O SER A 81 -3.590 -7.678 -3.824 1.00 2.79 O ATOM 1211 CB SER A 81 -2.692 -5.056 -5.248 1.00 3.71 C ATOM 1212 OG SER A 81 -2.270 -4.196 -4.203 1.00 4.35 O ATOM 0 HA SER A 81 -4.410 -6.234 -5.818 1.00 3.36 H new ATOM 0 HB2 SER A 81 -1.980 -5.874 -5.358 1.00 3.71 H new ATOM 0 HB3 SER A 81 -2.698 -4.510 -6.191 1.00 3.71 H new ATOM 0 HG SER A 81 -3.034 -3.673 -3.881 1.00 4.35 H new ATOM 1218 N GLU A 82 -4.547 -6.026 -2.614 1.00 2.97 N ATOM 1219 CA GLU A 82 -4.569 -6.773 -1.343 1.00 3.25 C ATOM 1220 C GLU A 82 -5.698 -7.795 -1.290 1.00 3.85 C ATOM 1221 O GLU A 82 -5.611 -8.801 -0.583 1.00 4.27 O ATOM 1222 CB GLU A 82 -4.714 -5.809 -0.171 1.00 3.94 C ATOM 1223 CG GLU A 82 -3.432 -5.069 0.190 1.00 4.12 C ATOM 1224 CD GLU A 82 -3.611 -4.114 1.359 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -3.348 -2.906 1.182 1.00 5.51 O ATOM 1226 OE2 GLU A 82 -4.013 -4.572 2.450 1.00 5.25 O ATOM 0 H GLU A 82 -4.943 -5.088 -2.549 1.00 2.97 H new ATOM 0 HA GLU A 82 -3.624 -7.312 -1.276 1.00 3.25 H new ATOM 0 HB2 GLU A 82 -5.487 -5.079 -0.409 1.00 3.94 H new ATOM 0 HB3 GLU A 82 -5.058 -6.364 0.702 1.00 3.94 H new ATOM 0 HG2 GLU A 82 -2.656 -5.794 0.435 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -3.083 -4.511 -0.679 1.00 4.12 H new ATOM 1233 N GLU A 83 -6.761 -7.506 -2.024 1.00 4.18 N ATOM 1234 CA GLU A 83 -7.928 -8.395 -2.107 1.00 5.12 C ATOM 1235 C GLU A 83 -7.613 -9.651 -2.932 1.00 5.33 C ATOM 1236 O GLU A 83 -8.273 -10.682 -2.780 1.00 6.21 O ATOM 1237 CB GLU A 83 -9.123 -7.657 -2.723 1.00 5.53 C ATOM 1238 CG GLU A 83 -9.759 -6.631 -1.796 1.00 5.74 C ATOM 1239 CD GLU A 83 -10.935 -5.919 -2.434 1.00 6.48 C ATOM 1240 OE1 GLU A 83 -12.074 -6.412 -2.296 1.00 6.88 O ATOM 1241 OE2 GLU A 83 -10.718 -4.867 -3.072 1.00 6.89 O ATOM 0 H GLU A 83 -6.847 -6.655 -2.580 1.00 4.18 H new ATOM 0 HA GLU A 83 -8.181 -8.703 -1.093 1.00 5.12 H new ATOM 0 HB2 GLU A 83 -8.797 -7.156 -3.635 1.00 5.53 H new ATOM 0 HB3 GLU A 83 -9.878 -8.387 -3.013 1.00 5.53 H new ATOM 0 HG2 GLU A 83 -10.091 -7.127 -0.884 1.00 5.74 H new ATOM 0 HG3 GLU A 83 -9.009 -5.896 -1.504 1.00 5.74 H new ATOM 1248 N GLU A 84 -6.595 -9.543 -3.801 1.00 4.72 N ATOM 1249 CA GLU A 84 -6.168 -10.649 -4.667 1.00 5.16 C ATOM 1250 C GLU A 84 -5.194 -11.609 -3.966 1.00 4.87 C ATOM 1251 O GLU A 84 -5.254 -12.820 -4.199 1.00 5.53 O ATOM 1252 CB GLU A 84 -5.528 -10.113 -5.951 1.00 5.11 C ATOM 1253 CG GLU A 84 -6.503 -9.406 -6.883 1.00 5.77 C ATOM 1254 CD GLU A 84 -5.837 -8.897 -8.146 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -5.371 -7.738 -8.146 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -5.780 -9.657 -9.136 1.00 6.68 O ATOM 0 H GLU A 84 -6.049 -8.690 -3.921 1.00 4.72 H new ATOM 0 HA GLU A 84 -7.067 -11.214 -4.912 1.00 5.16 H new ATOM 0 HB2 GLU A 84 -4.730 -9.420 -5.685 1.00 5.11 H new ATOM 0 HB3 GLU A 84 -5.065 -10.942 -6.487 1.00 5.11 H new ATOM 0 HG2 GLU A 84 -7.306 -10.093 -7.151 1.00 5.77 H new ATOM 0 HG3 GLU A 84 -6.962 -8.569 -6.356 1.00 5.77 H new ATOM 1263 N ILE A 85 -4.295 -11.071 -3.111 1.00 3.98 N ATOM 1264 CA ILE A 85 -3.300 -11.896 -2.389 1.00 3.69 C ATOM 1265 C ILE A 85 -3.941 -12.933 -1.497 1.00 4.63 C ATOM 1266 O ILE A 85 -3.606 -14.116 -1.570 1.00 5.03 O ATOM 1267 CB ILE A 85 -2.259 -11.059 -1.599 1.00 2.77 C ATOM 1268 CG1 ILE A 85 -2.890 -9.895 -0.819 1.00 3.16 C ATOM 1269 CG2 ILE A 85 -1.212 -10.527 -2.557 1.00 1.99 C ATOM 1270 CD1 ILE A 85 -3.005 -10.141 0.671 1.00 3.97 C ATOM 0 H ILE A 85 -4.238 -10.074 -2.905 1.00 3.98 H new ATOM 0 HA ILE A 85 -2.755 -12.421 -3.173 1.00 3.69 H new ATOM 0 HB ILE A 85 -1.805 -11.721 -0.862 1.00 2.77 H new ATOM 0 HG12 ILE A 85 -2.295 -8.997 -0.983 1.00 3.16 H new ATOM 0 HG13 ILE A 85 -3.883 -9.698 -1.222 1.00 3.16 H new ATOM 0 HG21 ILE A 85 -0.479 -9.938 -2.005 1.00 1.99 H new ATOM 0 HG22 ILE A 85 -0.711 -11.361 -3.049 1.00 1.99 H new ATOM 0 HG23 ILE A 85 -1.691 -9.898 -3.307 1.00 1.99 H new ATOM 0 HD11 ILE A 85 -3.460 -9.273 1.149 1.00 3.97 H new ATOM 0 HD12 ILE A 85 -3.625 -11.020 0.848 1.00 3.97 H new ATOM 0 HD13 ILE A 85 -2.013 -10.307 1.090 1.00 3.97 H new ATOM 1282 N ARG A 86 -4.889 -12.492 -0.692 1.00 5.19 N ATOM 1283 CA ARG A 86 -5.644 -13.395 0.191 1.00 6.32 C ATOM 1284 C ARG A 86 -6.329 -14.463 -0.637 1.00 7.11 C ATOM 1285 O ARG A 86 -6.647 -15.550 -0.145 1.00 7.98 O ATOM 1286 CB ARG A 86 -6.758 -12.661 0.919 1.00 6.99 C ATOM 1287 CG ARG A 86 -6.323 -11.392 1.646 1.00 7.36 C ATOM 1288 CD ARG A 86 -7.483 -10.746 2.386 1.00 8.25 C ATOM 1289 NE ARG A 86 -7.071 -9.537 3.108 1.00 8.76 N ATOM 1290 CZ ARG A 86 -7.837 -8.873 3.985 1.00 9.65 C ATOM 1291 NH1 ARG A 86 -9.072 -9.282 4.270 1.00 10.08 N ATOM 1292 NH2 ARG A 86 -7.360 -7.788 4.581 1.00 10.26 N ATOM 0 H ARG A 86 -5.164 -11.512 -0.623 1.00 5.19 H new ATOM 0 HA ARG A 86 -4.929 -13.812 0.901 1.00 6.32 H new ATOM 0 HB2 ARG A 86 -7.534 -12.402 0.199 1.00 6.99 H new ATOM 0 HB3 ARG A 86 -7.209 -13.340 1.642 1.00 6.99 H new ATOM 0 HG2 ARG A 86 -5.528 -11.631 2.352 1.00 7.36 H new ATOM 0 HG3 ARG A 86 -5.909 -10.684 0.928 1.00 7.36 H new ATOM 0 HD2 ARG A 86 -8.270 -10.493 1.676 1.00 8.25 H new ATOM 0 HD3 ARG A 86 -7.907 -11.462 3.090 1.00 8.25 H new ATOM 0 HE ARG A 86 -6.134 -9.176 2.930 1.00 8.76 H new ATOM 0 HH11 ARG A 86 -9.451 -10.114 3.818 1.00 10.08 H new ATOM 0 HH12 ARG A 86 -9.639 -8.763 4.940 1.00 10.08 H new ATOM 0 HH21 ARG A 86 -6.416 -7.464 4.371 1.00 10.26 H new ATOM 0 HH22 ARG A 86 -7.937 -7.278 5.249 1.00 10.26 H new ATOM 1306 N GLU A 87 -6.544 -14.118 -1.912 1.00 6.95 N ATOM 1307 CA GLU A 87 -7.241 -14.994 -2.827 1.00 7.91 C ATOM 1308 C GLU A 87 -6.304 -16.008 -3.485 1.00 7.97 C ATOM 1309 O GLU A 87 -6.686 -17.152 -3.748 1.00 8.94 O ATOM 1310 CB GLU A 87 -7.985 -14.192 -3.898 1.00 8.02 C ATOM 1311 CG GLU A 87 -9.256 -13.524 -3.396 1.00 8.75 C ATOM 1312 CD GLU A 87 -10.023 -12.825 -4.501 1.00 9.11 C ATOM 1313 OE1 GLU A 87 -9.732 -11.640 -4.769 1.00 9.62 O ATOM 1314 OE2 GLU A 87 -10.915 -13.462 -5.101 1.00 9.05 O ATOM 0 H GLU A 87 -6.240 -13.235 -2.322 1.00 6.95 H new ATOM 0 HA GLU A 87 -7.967 -15.551 -2.234 1.00 7.91 H new ATOM 0 HB2 GLU A 87 -7.317 -13.428 -4.295 1.00 8.02 H new ATOM 0 HB3 GLU A 87 -8.237 -14.856 -4.725 1.00 8.02 H new ATOM 0 HG2 GLU A 87 -9.897 -14.274 -2.932 1.00 8.75 H new ATOM 0 HG3 GLU A 87 -9.000 -12.800 -2.622 1.00 8.75 H new ATOM 1321 N ALA A 88 -5.073 -15.554 -3.738 1.00 7.00 N ATOM 1322 CA ALA A 88 -4.035 -16.359 -4.393 1.00 7.06 C ATOM 1323 C ALA A 88 -3.339 -17.312 -3.427 1.00 7.01 C ATOM 1324 O ALA A 88 -3.180 -18.490 -3.717 1.00 7.73 O ATOM 1325 CB ALA A 88 -3.007 -15.463 -5.038 1.00 6.21 C ATOM 0 H ALA A 88 -4.766 -14.613 -3.493 1.00 7.00 H new ATOM 0 HA ALA A 88 -4.536 -16.961 -5.151 1.00 7.06 H new ATOM 0 HB1 ALA A 88 -2.243 -16.073 -5.520 1.00 6.21 H new ATOM 0 HB2 ALA A 88 -3.491 -14.832 -5.783 1.00 6.21 H new ATOM 0 HB3 ALA A 88 -2.543 -14.835 -4.277 1.00 6.21 H new ATOM 1331 N PHE A 89 -2.856 -16.774 -2.310 1.00 6.21 N ATOM 1332 CA PHE A 89 -2.203 -17.564 -1.255 1.00 6.21 C ATOM 1333 C PHE A 89 -3.001 -18.806 -0.829 1.00 7.49 C ATOM 1334 O PHE A 89 -2.448 -19.723 -0.223 1.00 7.70 O ATOM 1335 CB PHE A 89 -1.912 -16.652 -0.074 1.00 5.56 C ATOM 1336 CG PHE A 89 -0.774 -15.740 -0.373 1.00 4.24 C ATOM 1337 CD1 PHE A 89 0.495 -16.073 0.035 1.00 3.84 C ATOM 1338 CD2 PHE A 89 -0.963 -14.573 -1.105 1.00 3.79 C ATOM 1339 CE1 PHE A 89 1.549 -15.274 -0.264 1.00 2.77 C ATOM 1340 CE2 PHE A 89 0.090 -13.762 -1.402 1.00 2.72 C ATOM 1341 CZ PHE A 89 1.357 -14.118 -0.976 1.00 1.93 C ATOM 0 H PHE A 89 -2.904 -15.776 -2.105 1.00 6.21 H new ATOM 0 HA PHE A 89 -1.272 -17.960 -1.661 1.00 6.21 H new ATOM 0 HB2 PHE A 89 -2.799 -16.066 0.165 1.00 5.56 H new ATOM 0 HB3 PHE A 89 -1.680 -17.253 0.806 1.00 5.56 H new ATOM 0 HD1 PHE A 89 0.655 -16.980 0.599 1.00 3.84 H new ATOM 0 HD2 PHE A 89 -1.954 -14.307 -1.441 1.00 3.79 H new ATOM 0 HE1 PHE A 89 2.542 -15.549 0.059 1.00 2.77 H new ATOM 0 HE2 PHE A 89 -0.062 -12.852 -1.963 1.00 2.72 H new ATOM 0 HZ PHE A 89 2.199 -13.482 -1.205 1.00 1.93 H new ATOM 1351 N ARG A 90 -4.300 -18.831 -1.151 1.00 8.36 N ATOM 1352 CA ARG A 90 -5.154 -19.982 -0.850 1.00 9.63 C ATOM 1353 C ARG A 90 -4.893 -21.123 -1.851 1.00 10.20 C ATOM 1354 O ARG A 90 -5.349 -22.252 -1.645 1.00 11.20 O ATOM 1355 CB ARG A 90 -6.633 -19.581 -0.885 1.00 10.38 C ATOM 1356 CG ARG A 90 -7.074 -18.752 0.312 1.00 10.73 C ATOM 1357 CD ARG A 90 -8.556 -18.417 0.243 1.00 11.51 C ATOM 1358 NE ARG A 90 -8.998 -17.633 1.402 1.00 12.01 N ATOM 1359 CZ ARG A 90 -10.277 -17.354 1.693 1.00 12.77 C ATOM 1360 NH1 ARG A 90 -11.270 -17.786 0.918 1.00 13.10 N ATOM 1361 NH2 ARG A 90 -10.561 -16.634 2.770 1.00 13.29 N ATOM 0 H ARG A 90 -4.782 -18.065 -1.621 1.00 8.36 H new ATOM 0 HA ARG A 90 -4.911 -20.332 0.153 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -6.825 -19.016 -1.797 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -7.243 -20.483 -0.935 1.00 10.38 H new ATOM 0 HG2 ARG A 90 -6.866 -19.299 1.231 1.00 10.73 H new ATOM 0 HG3 ARG A 90 -6.493 -17.831 0.351 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -8.759 -17.859 -0.671 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -9.134 -19.340 0.188 1.00 11.51 H new ATOM 0 HE ARG A 90 -8.280 -17.274 2.032 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -11.064 -18.339 0.086 1.00 13.10 H new ATOM 0 HH12 ARG A 90 -12.237 -17.563 1.156 1.00 13.10 H new ATOM 0 HH21 ARG A 90 -9.809 -16.296 3.371 1.00 13.29 H new ATOM 0 HH22 ARG A 90 -11.532 -16.418 2.998 1.00 13.29 H new ATOM 1375 N VAL A 91 -4.152 -20.807 -2.932 1.00 9.66 N ATOM 1376 CA VAL A 91 -3.811 -21.753 -3.962 1.00 10.29 C ATOM 1377 C VAL A 91 -2.394 -22.279 -3.787 1.00 9.81 C ATOM 1378 O VAL A 91 -2.169 -23.490 -3.763 1.00 10.52 O ATOM 1379 CB VAL A 91 -3.901 -21.143 -5.376 1.00 10.33 C ATOM 1380 CG1 VAL A 91 -4.554 -22.108 -6.355 1.00 11.64 C ATOM 1381 CG2 VAL A 91 -4.596 -19.787 -5.403 1.00 9.85 C ATOM 0 H VAL A 91 -3.779 -19.872 -3.097 1.00 9.66 H new ATOM 0 HA VAL A 91 -4.537 -22.560 -3.864 1.00 10.29 H new ATOM 0 HB VAL A 91 -2.873 -20.969 -5.694 1.00 10.33 H new ATOM 0 HG11 VAL A 91 -4.602 -21.648 -7.342 1.00 11.64 H new ATOM 0 HG12 VAL A 91 -3.966 -23.024 -6.410 1.00 11.64 H new ATOM 0 HG13 VAL A 91 -5.562 -22.344 -6.015 1.00 11.64 H new ATOM 0 HG21 VAL A 91 -4.626 -19.414 -6.427 1.00 9.85 H new ATOM 0 HG22 VAL A 91 -5.613 -19.892 -5.025 1.00 9.85 H new ATOM 0 HG23 VAL A 91 -4.047 -19.084 -4.776 1.00 9.85 H new ATOM 1391 N PHE A 92 -1.452 -21.343 -3.669 1.00 8.63 N ATOM 1392 CA PHE A 92 -0.025 -21.672 -3.543 1.00 8.08 C ATOM 1393 C PHE A 92 0.414 -21.878 -2.100 1.00 7.58 C ATOM 1394 O PHE A 92 1.361 -22.626 -1.841 1.00 7.57 O ATOM 1395 CB PHE A 92 0.841 -20.539 -4.091 1.00 7.14 C ATOM 1396 CG PHE A 92 0.429 -19.958 -5.415 1.00 7.60 C ATOM 1397 CD1 PHE A 92 -0.513 -18.940 -5.483 1.00 7.95 C ATOM 1398 CD2 PHE A 92 1.045 -20.376 -6.580 1.00 7.88 C ATOM 1399 CE1 PHE A 92 -0.831 -18.359 -6.688 1.00 8.45 C ATOM 1400 CE2 PHE A 92 0.719 -19.807 -7.793 1.00 8.39 C ATOM 1401 CZ PHE A 92 -0.219 -18.794 -7.849 1.00 8.62 C ATOM 0 H PHE A 92 -1.650 -20.342 -3.658 1.00 8.63 H new ATOM 0 HA PHE A 92 0.104 -22.597 -4.104 1.00 8.08 H new ATOM 0 HB2 PHE A 92 0.855 -19.735 -3.355 1.00 7.14 H new ATOM 0 HB3 PHE A 92 1.863 -20.905 -4.183 1.00 7.14 H new ATOM 0 HD1 PHE A 92 -1.001 -18.601 -4.581 1.00 7.95 H new ATOM 0 HD2 PHE A 92 1.790 -21.157 -6.540 1.00 7.88 H new ATOM 0 HE1 PHE A 92 -1.559 -17.562 -6.728 1.00 8.45 H new ATOM 0 HE2 PHE A 92 1.196 -20.153 -8.698 1.00 8.39 H new ATOM 0 HZ PHE A 92 -0.473 -18.343 -8.797 1.00 8.62 H new ATOM 1411 N ALA A 93 -0.244 -21.189 -1.174 1.00 7.32 N ATOM 1412 CA ALA A 93 0.081 -21.310 0.234 1.00 7.11 C ATOM 1413 C ALA A 93 -0.942 -22.185 0.970 1.00 8.33 C ATOM 1414 O ALA A 93 -1.960 -21.685 1.465 1.00 8.83 O ATOM 1415 CB ALA A 93 0.245 -19.922 0.859 1.00 6.22 C ATOM 0 H ALA A 93 -1.005 -20.542 -1.378 1.00 7.32 H new ATOM 0 HA ALA A 93 1.038 -21.822 0.335 1.00 7.11 H new ATOM 0 HB1 ALA A 93 0.489 -20.026 1.916 1.00 6.22 H new ATOM 0 HB2 ALA A 93 1.048 -19.387 0.352 1.00 6.22 H new ATOM 0 HB3 ALA A 93 -0.685 -19.364 0.754 1.00 6.22 H new ATOM 1421 N LYS A 94 -0.676 -23.507 1.021 1.00 8.92 N ATOM 1422 CA LYS A 94 -1.568 -24.454 1.708 1.00 10.13 C ATOM 1423 C LYS A 94 -1.462 -24.328 3.214 1.00 10.64 C ATOM 1424 O LYS A 94 -0.366 -24.189 3.762 1.00 11.32 O ATOM 1425 CB LYS A 94 -1.367 -25.939 1.323 1.00 10.90 C ATOM 1426 CG LYS A 94 -0.154 -26.280 0.461 1.00 11.36 C ATOM 1427 CD LYS A 94 -0.546 -26.385 -1.004 1.00 11.16 C ATOM 1428 CE LYS A 94 -0.091 -25.181 -1.795 1.00 10.61 C ATOM 1429 NZ LYS A 94 -0.290 -25.372 -3.258 1.00 11.01 N ATOM 0 H LYS A 94 0.145 -23.937 0.596 1.00 8.92 H new ATOM 0 HA LYS A 94 -2.562 -24.167 1.365 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -1.301 -26.520 2.243 1.00 10.90 H new ATOM 0 HB3 LYS A 94 -2.260 -26.275 0.797 1.00 10.90 H new ATOM 0 HG2 LYS A 94 0.612 -25.514 0.583 1.00 11.36 H new ATOM 0 HG3 LYS A 94 0.281 -27.222 0.794 1.00 11.36 H new ATOM 0 HD2 LYS A 94 -0.110 -27.287 -1.433 1.00 11.16 H new ATOM 0 HD3 LYS A 94 -1.628 -26.485 -1.084 1.00 11.16 H new ATOM 0 HE2 LYS A 94 -0.642 -24.300 -1.465 1.00 10.61 H new ATOM 0 HE3 LYS A 94 0.963 -24.991 -1.593 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 0.633 -25.492 -3.721 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 -0.872 -26.218 -3.422 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 -0.771 -24.540 -3.655 1.00 11.01 H new ATOM 1443 N ASP A 95 -2.623 -24.388 3.879 1.00 10.41 N ATOM 1444 CA ASP A 95 -2.699 -24.308 5.337 1.00 10.95 C ATOM 1445 C ASP A 95 -2.182 -25.601 5.984 1.00 11.36 C ATOM 1446 O ASP A 95 -2.452 -25.901 7.154 1.00 11.72 O ATOM 1447 CB ASP A 95 -4.137 -23.991 5.779 1.00 10.75 C ATOM 1448 CG ASP A 95 -4.201 -23.326 7.144 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -4.296 -24.053 8.155 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -4.154 -22.079 7.200 1.00 10.72 O ATOM 0 H ASP A 95 -3.529 -24.493 3.422 1.00 10.41 H new ATOM 0 HA ASP A 95 -2.056 -23.496 5.676 1.00 10.95 H new ATOM 0 HB2 ASP A 95 -4.604 -23.339 5.040 1.00 10.75 H new ATOM 0 HB3 ASP A 95 -4.717 -24.914 5.802 1.00 10.75 H new ATOM 1455 N GLY A 96 -1.411 -26.331 5.183 1.00 11.41 N ATOM 1456 CA GLY A 96 -0.806 -27.596 5.613 1.00 11.89 C ATOM 1457 C GLY A 96 0.451 -27.398 6.435 1.00 11.67 C ATOM 1458 O GLY A 96 1.238 -26.490 6.151 1.00 11.82 O ATOM 0 H GLY A 96 -1.187 -26.068 4.223 1.00 11.41 H new ATOM 0 HA2 GLY A 96 -1.532 -28.160 6.199 1.00 11.89 H new ATOM 0 HA3 GLY A 96 -0.569 -28.197 4.735 1.00 11.89 H new ATOM 1462 N ASN A 97 0.644 -28.273 7.456 1.00 11.48 N ATOM 1463 CA ASN A 97 1.812 -28.249 8.375 1.00 11.39 C ATOM 1464 C ASN A 97 1.894 -26.996 9.244 1.00 11.24 C ATOM 1465 O ASN A 97 2.425 -27.027 10.359 1.00 11.69 O ATOM 1466 CB ASN A 97 3.083 -28.359 7.562 1.00 10.47 C ATOM 1467 CG ASN A 97 3.974 -29.504 8.004 1.00 10.82 C ATOM 1468 OD1 ASN A 97 4.835 -29.337 8.868 1.00 11.12 O ATOM 1469 ND2 ASN A 97 3.771 -30.675 7.411 1.00 10.95 N ATOM 0 H ASN A 97 -0.014 -29.023 7.666 1.00 11.48 H new ATOM 0 HA ASN A 97 1.687 -29.094 9.052 1.00 11.39 H new ATOM 0 HB2 ASN A 97 2.825 -28.492 6.511 1.00 10.47 H new ATOM 0 HB3 ASN A 97 3.638 -27.424 7.638 1.00 10.47 H new ATOM 0 HD21 ASN A 97 4.340 -31.482 7.667 1.00 10.95 H new ATOM 0 HD22 ASN A 97 3.046 -30.768 6.700 1.00 10.95 H new ATOM 1476 N GLY A 98 1.361 -25.918 8.710 1.00 10.71 N ATOM 1477 CA GLY A 98 1.385 -24.629 9.367 1.00 10.57 C ATOM 1478 C GLY A 98 2.322 -23.672 8.655 1.00 9.35 C ATOM 1479 O GLY A 98 2.448 -22.512 9.054 1.00 9.23 O ATOM 0 H GLY A 98 0.896 -25.911 7.802 1.00 10.71 H new ATOM 0 HA2 GLY A 98 0.379 -24.210 9.389 1.00 10.57 H new ATOM 0 HA3 GLY A 98 1.702 -24.751 10.403 1.00 10.57 H new ATOM 1483 N TYR A 99 3.037 -24.189 7.643 1.00 8.53 N ATOM 1484 CA TYR A 99 3.943 -23.389 6.838 1.00 7.35 C ATOM 1485 C TYR A 99 3.705 -23.591 5.337 1.00 6.60 C ATOM 1486 O TYR A 99 2.885 -24.416 4.924 1.00 6.68 O ATOM 1487 CB TYR A 99 5.417 -23.716 7.155 1.00 7.03 C ATOM 1488 CG TYR A 99 5.828 -23.536 8.595 1.00 7.42 C ATOM 1489 CD1 TYR A 99 6.591 -22.438 8.992 1.00 7.29 C ATOM 1490 CD2 TYR A 99 5.458 -24.474 9.555 1.00 8.16 C ATOM 1491 CE1 TYR A 99 6.970 -22.284 10.313 1.00 7.85 C ATOM 1492 CE2 TYR A 99 5.835 -24.321 10.876 1.00 8.71 C ATOM 1493 CZ TYR A 99 6.589 -23.226 11.249 1.00 8.53 C ATOM 1494 OH TYR A 99 6.965 -23.073 12.564 1.00 9.21 O ATOM 0 H TYR A 99 2.996 -25.171 7.369 1.00 8.53 H new ATOM 0 HA TYR A 99 3.738 -22.349 7.093 1.00 7.35 H new ATOM 0 HB2 TYR A 99 5.612 -24.749 6.866 1.00 7.03 H new ATOM 0 HB3 TYR A 99 6.052 -23.086 6.533 1.00 7.03 H new ATOM 0 HD1 TYR A 99 6.889 -21.701 8.261 1.00 7.29 H new ATOM 0 HD2 TYR A 99 4.869 -25.331 9.264 1.00 8.16 H new ATOM 0 HE1 TYR A 99 7.561 -21.431 10.612 1.00 7.85 H new ATOM 0 HE2 TYR A 99 5.541 -25.054 11.613 1.00 8.71 H new ATOM 0 HH TYR A 99 6.616 -23.820 13.093 1.00 9.21 H new ATOM 1504 N ILE A 100 4.464 -22.822 4.547 1.00 6.19 N ATOM 1505 CA ILE A 100 4.465 -22.871 3.081 1.00 5.73 C ATOM 1506 C ILE A 100 5.828 -22.382 2.601 1.00 4.64 C ATOM 1507 O ILE A 100 6.297 -21.338 3.063 1.00 4.17 O ATOM 1508 CB ILE A 100 3.329 -22.031 2.420 1.00 5.84 C ATOM 1509 CG1 ILE A 100 3.251 -20.597 2.978 1.00 5.96 C ATOM 1510 CG2 ILE A 100 1.994 -22.734 2.594 1.00 5.70 C ATOM 1511 CD1 ILE A 100 3.983 -19.574 2.135 1.00 6.65 C ATOM 0 H ILE A 100 5.112 -22.129 4.921 1.00 6.19 H new ATOM 0 HA ILE A 100 4.275 -23.901 2.780 1.00 5.73 H new ATOM 0 HB ILE A 100 3.566 -21.948 1.359 1.00 5.84 H new ATOM 0 HG12 ILE A 100 2.204 -20.305 3.060 1.00 5.96 H new ATOM 0 HG13 ILE A 100 3.664 -20.586 3.986 1.00 5.96 H new ATOM 0 HG21 ILE A 100 1.207 -22.140 2.129 1.00 5.70 H new ATOM 0 HG22 ILE A 100 2.035 -23.715 2.121 1.00 5.70 H new ATOM 0 HG23 ILE A 100 1.781 -22.852 3.656 1.00 5.70 H new ATOM 0 HD11 ILE A 100 3.884 -18.589 2.591 1.00 6.65 H new ATOM 0 HD12 ILE A 100 5.038 -19.841 2.074 1.00 6.65 H new ATOM 0 HD13 ILE A 100 3.555 -19.555 1.133 1.00 6.65 H new ATOM 1523 N SER A 101 6.468 -23.117 1.683 1.00 4.56 N ATOM 1524 CA SER A 101 7.797 -22.735 1.206 1.00 3.87 C ATOM 1525 C SER A 101 7.801 -21.402 0.478 1.00 3.18 C ATOM 1526 O SER A 101 6.905 -21.094 -0.312 1.00 3.33 O ATOM 1527 CB SER A 101 8.432 -23.811 0.333 1.00 4.59 C ATOM 1528 OG SER A 101 8.161 -25.112 0.828 1.00 5.48 O ATOM 0 H SER A 101 6.092 -23.967 1.263 1.00 4.56 H new ATOM 0 HA SER A 101 8.403 -22.624 2.105 1.00 3.87 H new ATOM 0 HB2 SER A 101 8.055 -23.723 -0.686 1.00 4.59 H new ATOM 0 HB3 SER A 101 9.510 -23.655 0.289 1.00 4.59 H new ATOM 0 HG SER A 101 8.581 -25.778 0.244 1.00 5.48 H new ATOM 1534 N ALA A 102 8.844 -20.626 0.775 1.00 2.74 N ATOM 1535 CA ALA A 102 9.053 -19.282 0.199 1.00 2.63 C ATOM 1536 C ALA A 102 9.165 -19.269 -1.336 1.00 3.39 C ATOM 1537 O ALA A 102 9.016 -18.215 -1.957 1.00 3.61 O ATOM 1538 CB ALA A 102 10.299 -18.660 0.805 1.00 3.06 C ATOM 0 H ALA A 102 9.577 -20.908 1.426 1.00 2.74 H new ATOM 0 HA ALA A 102 8.165 -18.701 0.445 1.00 2.63 H new ATOM 0 HB1 ALA A 102 10.454 -17.668 0.380 1.00 3.06 H new ATOM 0 HB2 ALA A 102 10.176 -18.577 1.885 1.00 3.06 H new ATOM 0 HB3 ALA A 102 11.163 -19.288 0.585 1.00 3.06 H new ATOM 1544 N ALA A 103 9.420 -20.443 -1.933 1.00 4.09 N ATOM 1545 CA ALA A 103 9.576 -20.585 -3.391 1.00 5.20 C ATOM 1546 C ALA A 103 8.294 -20.278 -4.185 1.00 5.47 C ATOM 1547 O ALA A 103 8.365 -20.006 -5.387 1.00 6.33 O ATOM 1548 CB ALA A 103 10.064 -21.988 -3.722 1.00 5.96 C ATOM 0 H ALA A 103 9.524 -21.319 -1.421 1.00 4.09 H new ATOM 0 HA ALA A 103 10.311 -19.840 -3.696 1.00 5.20 H new ATOM 0 HB1 ALA A 103 10.178 -22.088 -4.801 1.00 5.96 H new ATOM 0 HB2 ALA A 103 11.025 -22.163 -3.238 1.00 5.96 H new ATOM 0 HB3 ALA A 103 9.339 -22.719 -3.364 1.00 5.96 H new ATOM 1554 N GLU A 104 7.132 -20.322 -3.514 1.00 4.91 N ATOM 1555 CA GLU A 104 5.840 -20.069 -4.174 1.00 5.33 C ATOM 1556 C GLU A 104 5.496 -18.576 -4.254 1.00 4.76 C ATOM 1557 O GLU A 104 4.968 -18.125 -5.269 1.00 5.38 O ATOM 1558 CB GLU A 104 4.708 -20.815 -3.459 1.00 5.44 C ATOM 1559 CG GLU A 104 4.753 -22.333 -3.618 1.00 6.31 C ATOM 1560 CD GLU A 104 4.210 -22.806 -4.956 1.00 6.92 C ATOM 1561 OE1 GLU A 104 5.004 -22.919 -5.913 1.00 7.26 O ATOM 1562 OE2 GLU A 104 2.991 -23.063 -5.044 1.00 7.37 O ATOM 0 H GLU A 104 7.060 -20.530 -2.518 1.00 4.91 H new ATOM 0 HA GLU A 104 5.941 -20.441 -5.194 1.00 5.33 H new ATOM 0 HB2 GLU A 104 4.743 -20.572 -2.397 1.00 5.44 H new ATOM 0 HB3 GLU A 104 3.753 -20.450 -3.838 1.00 5.44 H new ATOM 0 HG2 GLU A 104 5.783 -22.674 -3.509 1.00 6.31 H new ATOM 0 HG3 GLU A 104 4.178 -22.794 -2.815 1.00 6.31 H new ATOM 1569 N LEU A 105 5.764 -17.830 -3.166 1.00 3.64 N ATOM 1570 CA LEU A 105 5.505 -16.374 -3.072 1.00 3.09 C ATOM 1571 C LEU A 105 5.879 -15.577 -4.292 1.00 4.03 C ATOM 1572 O LEU A 105 5.119 -14.714 -4.733 1.00 4.13 O ATOM 1573 CB LEU A 105 6.291 -15.778 -1.907 1.00 2.35 C ATOM 1574 CG LEU A 105 6.148 -16.504 -0.565 1.00 1.65 C ATOM 1575 CD1 LEU A 105 7.248 -16.095 0.396 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.774 -16.242 0.025 1.00 1.38 C ATOM 0 H LEU A 105 6.171 -18.222 -2.317 1.00 3.64 H new ATOM 0 HA LEU A 105 4.425 -16.302 -2.944 1.00 3.09 H new ATOM 0 HB2 LEU A 105 7.347 -15.759 -2.178 1.00 2.35 H new ATOM 0 HB3 LEU A 105 5.977 -14.743 -1.774 1.00 2.35 H new ATOM 0 HG LEU A 105 6.249 -17.576 -0.736 1.00 1.65 H new ATOM 0 HD11 LEU A 105 7.122 -16.625 1.340 1.00 2.00 H new ATOM 0 HD12 LEU A 105 8.218 -16.345 -0.034 1.00 2.00 H new ATOM 0 HD13 LEU A 105 7.195 -15.021 0.573 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.682 -16.762 0.978 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.643 -15.171 0.182 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.008 -16.604 -0.661 1.00 1.38 H new ATOM 1588 N ARG A 106 7.052 -15.858 -4.822 1.00 4.83 N ATOM 1589 CA ARG A 106 7.549 -15.138 -5.983 1.00 5.95 C ATOM 1590 C ARG A 106 6.676 -15.419 -7.187 1.00 6.65 C ATOM 1591 O ARG A 106 6.644 -14.654 -8.143 1.00 7.39 O ATOM 1592 CB ARG A 106 9.010 -15.489 -6.300 1.00 6.81 C ATOM 1593 CG ARG A 106 9.989 -15.377 -5.121 1.00 6.46 C ATOM 1594 CD ARG A 106 10.078 -16.670 -4.342 1.00 5.99 C ATOM 1595 NE ARG A 106 11.217 -16.681 -3.417 1.00 6.40 N ATOM 1596 CZ ARG A 106 12.122 -17.667 -3.327 1.00 6.89 C ATOM 1597 NH1 ARG A 106 12.048 -18.746 -4.104 1.00 7.08 N ATOM 1598 NH2 ARG A 106 13.111 -17.569 -2.449 1.00 7.37 N ATOM 0 H ARG A 106 7.681 -16.579 -4.469 1.00 4.83 H new ATOM 0 HA ARG A 106 7.511 -14.075 -5.745 1.00 5.95 H new ATOM 0 HB2 ARG A 106 9.045 -16.509 -6.683 1.00 6.81 H new ATOM 0 HB3 ARG A 106 9.357 -14.836 -7.101 1.00 6.81 H new ATOM 0 HG2 ARG A 106 10.977 -15.108 -5.493 1.00 6.46 H new ATOM 0 HG3 ARG A 106 9.669 -14.574 -4.457 1.00 6.46 H new ATOM 0 HD2 ARG A 106 9.155 -16.819 -3.781 1.00 5.99 H new ATOM 0 HD3 ARG A 106 10.168 -17.505 -5.036 1.00 5.99 H new ATOM 0 HE ARG A 106 11.329 -15.879 -2.796 1.00 6.40 H new ATOM 0 HH11 ARG A 106 11.293 -18.834 -4.784 1.00 7.08 H new ATOM 0 HH12 ARG A 106 12.747 -19.484 -4.019 1.00 7.08 H new ATOM 0 HH21 ARG A 106 13.180 -16.748 -1.848 1.00 7.37 H new ATOM 0 HH22 ARG A 106 13.803 -18.315 -2.375 1.00 7.37 H new ATOM 1612 N HIS A 107 6.016 -16.558 -7.124 1.00 6.60 N ATOM 1613 CA HIS A 107 5.063 -16.966 -8.123 1.00 7.43 C ATOM 1614 C HIS A 107 3.668 -16.453 -7.741 1.00 6.90 C ATOM 1615 O HIS A 107 2.795 -16.368 -8.601 1.00 7.61 O ATOM 1616 CB HIS A 107 5.045 -18.491 -8.280 1.00 8.00 C ATOM 1617 CG HIS A 107 6.286 -19.049 -8.909 1.00 8.87 C ATOM 1618 ND1 HIS A 107 6.356 -19.420 -10.236 1.00 9.79 N ATOM 1619 CD2 HIS A 107 7.509 -19.301 -8.385 1.00 9.07 C ATOM 1620 CE1 HIS A 107 7.568 -19.876 -10.500 1.00 10.41 C ATOM 1621 NE2 HIS A 107 8.286 -19.814 -9.395 1.00 10.03 N ATOM 0 H HIS A 107 6.132 -17.231 -6.366 1.00 6.60 H new ATOM 0 HA HIS A 107 5.358 -16.537 -9.080 1.00 7.43 H new ATOM 0 HB2 HIS A 107 4.910 -18.946 -7.299 1.00 8.00 H new ATOM 0 HB3 HIS A 107 4.183 -18.775 -8.884 1.00 8.00 H new ATOM 0 HD2 HIS A 107 7.816 -19.130 -7.364 1.00 9.07 H new ATOM 0 HE1 HIS A 107 7.912 -20.238 -11.458 1.00 10.41 H new ATOM 0 HE2 HIS A 107 9.261 -20.101 -9.305 1.00 10.03 H new ATOM 1630 N VAL A 108 3.467 -16.119 -6.435 1.00 5.69 N ATOM 1631 CA VAL A 108 2.184 -15.608 -5.946 1.00 5.20 C ATOM 1632 C VAL A 108 2.066 -14.103 -6.115 1.00 4.84 C ATOM 1633 O VAL A 108 1.175 -13.620 -6.817 1.00 5.36 O ATOM 1634 CB VAL A 108 1.949 -15.969 -4.447 1.00 4.27 C ATOM 1635 CG1 VAL A 108 0.563 -15.544 -3.987 1.00 4.16 C ATOM 1636 CG2 VAL A 108 2.190 -17.440 -4.166 1.00 4.80 C ATOM 0 H VAL A 108 4.185 -16.200 -5.715 1.00 5.69 H new ATOM 0 HA VAL A 108 1.420 -16.092 -6.555 1.00 5.20 H new ATOM 0 HB VAL A 108 2.684 -15.409 -3.869 1.00 4.27 H new ATOM 0 HG11 VAL A 108 0.430 -15.810 -2.938 1.00 4.16 H new ATOM 0 HG12 VAL A 108 0.455 -14.466 -4.105 1.00 4.16 H new ATOM 0 HG13 VAL A 108 -0.191 -16.052 -4.588 1.00 4.16 H new ATOM 0 HG21 VAL A 108 2.014 -17.642 -3.110 1.00 4.80 H new ATOM 0 HG22 VAL A 108 1.510 -18.042 -4.769 1.00 4.80 H new ATOM 0 HG23 VAL A 108 3.220 -17.695 -4.417 1.00 4.80 H new ATOM 1646 N MET A 109 2.933 -13.375 -5.418 1.00 4.11 N ATOM 1647 CA MET A 109 2.980 -11.912 -5.513 1.00 4.08 C ATOM 1648 C MET A 109 3.153 -11.466 -6.963 1.00 5.33 C ATOM 1649 O MET A 109 2.740 -10.365 -7.336 1.00 5.53 O ATOM 1650 CB MET A 109 4.048 -11.337 -4.607 1.00 3.81 C ATOM 1651 CG MET A 109 3.540 -11.171 -3.176 1.00 2.70 C ATOM 1652 SD MET A 109 4.684 -10.278 -2.106 1.00 3.27 S ATOM 1653 CE MET A 109 6.096 -11.370 -2.143 1.00 3.46 C ATOM 0 H MET A 109 3.618 -13.773 -4.776 1.00 4.11 H new ATOM 0 HA MET A 109 2.025 -11.517 -5.165 1.00 4.08 H new ATOM 0 HB2 MET A 109 4.920 -11.991 -4.611 1.00 3.81 H new ATOM 0 HB3 MET A 109 4.372 -10.371 -4.993 1.00 3.81 H new ATOM 0 HG2 MET A 109 2.587 -10.643 -3.196 1.00 2.70 H new ATOM 0 HG3 MET A 109 3.350 -12.156 -2.750 1.00 2.70 H new ATOM 0 HE1 MET A 109 6.407 -11.598 -1.123 1.00 3.46 H new ATOM 0 HE2 MET A 109 5.828 -12.294 -2.656 1.00 3.46 H new ATOM 0 HE3 MET A 109 6.917 -10.886 -2.673 1.00 3.46 H new ATOM 1663 N THR A 110 3.808 -12.312 -7.764 1.00 6.20 N ATOM 1664 CA THR A 110 3.901 -12.068 -9.203 1.00 7.45 C ATOM 1665 C THR A 110 2.575 -12.483 -9.897 1.00 7.80 C ATOM 1666 O THR A 110 2.213 -11.916 -10.932 1.00 8.54 O ATOM 1667 CB THR A 110 5.071 -12.857 -9.815 1.00 8.32 C ATOM 1668 OG1 THR A 110 6.282 -12.509 -9.135 1.00 8.16 O ATOM 1669 CG2 THR A 110 5.249 -12.581 -11.309 1.00 9.65 C ATOM 0 H THR A 110 4.275 -13.160 -7.444 1.00 6.20 H new ATOM 0 HA THR A 110 4.077 -11.004 -9.359 1.00 7.45 H new ATOM 0 HB THR A 110 4.843 -13.916 -9.697 1.00 8.32 H new ATOM 0 HG1 THR A 110 6.362 -13.041 -8.316 1.00 8.16 H new ATOM 0 HG21 THR A 110 6.088 -13.164 -11.689 1.00 9.65 H new ATOM 0 HG22 THR A 110 4.341 -12.863 -11.842 1.00 9.65 H new ATOM 0 HG23 THR A 110 5.445 -11.520 -11.462 1.00 9.65 H new ATOM 1677 N ASN A 111 1.864 -13.476 -9.310 1.00 7.42 N ATOM 1678 CA ASN A 111 0.593 -13.991 -9.870 1.00 8.00 C ATOM 1679 C ASN A 111 -0.615 -13.025 -9.791 1.00 7.57 C ATOM 1680 O ASN A 111 -1.355 -12.921 -10.774 1.00 8.26 O ATOM 1681 CB ASN A 111 0.213 -15.305 -9.182 1.00 7.98 C ATOM 1682 CG ASN A 111 -0.536 -16.257 -10.100 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -1.765 -16.229 -10.174 1.00 9.84 O ATOM 1684 ND2 ASN A 111 0.204 -17.105 -10.804 1.00 9.58 N ATOM 0 H ASN A 111 2.151 -13.937 -8.446 1.00 7.42 H new ATOM 0 HA ASN A 111 0.799 -14.128 -10.932 1.00 8.00 H new ATOM 0 HB2 ASN A 111 1.117 -15.794 -8.819 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -0.404 -15.088 -8.310 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -0.243 -17.768 -11.437 1.00 9.58 H new ATOM 0 HD22 ASN A 111 1.220 -17.094 -10.712 1.00 9.58 H new ATOM 1691 N LEU A 112 -0.831 -12.328 -8.645 1.00 6.48 N ATOM 1692 CA LEU A 112 -2.014 -11.440 -8.487 1.00 6.02 C ATOM 1693 C LEU A 112 -2.148 -10.381 -9.599 1.00 6.50 C ATOM 1694 O LEU A 112 -3.234 -10.201 -10.161 1.00 6.87 O ATOM 1695 CB LEU A 112 -2.086 -10.767 -7.101 1.00 4.81 C ATOM 1696 CG LEU A 112 -1.034 -9.714 -6.791 1.00 4.44 C ATOM 1697 CD1 LEU A 112 -1.614 -8.619 -5.909 1.00 4.55 C ATOM 1698 CD2 LEU A 112 0.127 -10.378 -6.121 1.00 4.77 C ATOM 0 H LEU A 112 -0.216 -12.361 -7.832 1.00 6.48 H new ATOM 0 HA LEU A 112 -2.864 -12.116 -8.578 1.00 6.02 H new ATOM 0 HB2 LEU A 112 -3.068 -10.305 -6.999 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -2.020 -11.546 -6.342 1.00 4.81 H new ATOM 0 HG LEU A 112 -0.700 -9.246 -7.717 1.00 4.44 H new ATOM 0 HD11 LEU A 112 -0.845 -7.876 -5.699 1.00 4.55 H new ATOM 0 HD12 LEU A 112 -2.449 -8.142 -6.422 1.00 4.55 H new ATOM 0 HD13 LEU A 112 -1.964 -9.053 -4.973 1.00 4.55 H new ATOM 0 HD21 LEU A 112 0.890 -9.634 -5.893 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -0.207 -10.850 -5.197 1.00 4.77 H new ATOM 0 HD23 LEU A 112 0.546 -11.135 -6.784 1.00 4.77 H new ATOM 1710 N GLY A 113 -1.041 -9.696 -9.900 1.00 6.67 N ATOM 1711 CA GLY A 113 -1.041 -8.661 -10.928 1.00 7.40 C ATOM 1712 C GLY A 113 -0.164 -7.475 -10.566 1.00 8.34 C ATOM 1713 O GLY A 113 -0.466 -6.337 -10.937 1.00 8.64 O ATOM 0 H GLY A 113 -0.139 -9.841 -9.447 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -0.695 -9.089 -11.869 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -2.062 -8.316 -11.091 1.00 7.40 H new ATOM 1717 N GLU A 114 0.920 -7.754 -9.835 1.00 8.94 N ATOM 1718 CA GLU A 114 1.881 -6.730 -9.405 1.00 10.00 C ATOM 1719 C GLU A 114 3.016 -6.587 -10.396 1.00 10.47 C ATOM 1720 O GLU A 114 3.732 -5.584 -10.398 1.00 11.33 O ATOM 1721 CB GLU A 114 2.467 -7.108 -8.055 1.00 10.43 C ATOM 1722 CG GLU A 114 1.507 -6.936 -6.889 1.00 10.39 C ATOM 1723 CD GLU A 114 2.160 -7.215 -5.549 1.00 11.02 C ATOM 1724 OE1 GLU A 114 2.553 -6.245 -4.868 1.00 11.20 O ATOM 1725 OE2 GLU A 114 2.280 -8.402 -5.182 1.00 11.47 O ATOM 0 H GLU A 114 1.157 -8.696 -9.524 1.00 8.94 H new ATOM 0 HA GLU A 114 1.346 -5.783 -9.339 1.00 10.00 H new ATOM 0 HB2 GLU A 114 2.794 -8.147 -8.092 1.00 10.43 H new ATOM 0 HB3 GLU A 114 3.354 -6.501 -7.874 1.00 10.43 H new ATOM 0 HG2 GLU A 114 1.115 -5.919 -6.893 1.00 10.39 H new ATOM 0 HG3 GLU A 114 0.657 -7.606 -7.021 1.00 10.39 H new ATOM 1732 N LYS A 115 3.163 -7.634 -11.216 1.00 10.04 N ATOM 1733 CA LYS A 115 4.187 -7.787 -12.279 1.00 10.61 C ATOM 1734 C LYS A 115 5.628 -7.605 -11.780 1.00 10.14 C ATOM 1735 O LYS A 115 6.585 -7.800 -12.539 1.00 10.70 O ATOM 1736 CB LYS A 115 3.956 -6.878 -13.506 1.00 11.03 C ATOM 1737 CG LYS A 115 4.014 -5.391 -13.184 1.00 10.36 C ATOM 1738 CD LYS A 115 2.769 -4.652 -13.671 1.00 10.71 C ATOM 1739 CE LYS A 115 1.519 -5.085 -12.908 1.00 10.61 C ATOM 1740 NZ LYS A 115 0.273 -4.838 -13.686 1.00 10.83 N ATOM 0 H LYS A 115 2.544 -8.443 -11.161 1.00 10.04 H new ATOM 0 HA LYS A 115 4.061 -8.823 -12.594 1.00 10.61 H new ATOM 0 HB2 LYS A 115 4.706 -7.107 -14.263 1.00 11.03 H new ATOM 0 HB3 LYS A 115 2.984 -7.109 -13.941 1.00 11.03 H new ATOM 0 HG2 LYS A 115 4.117 -5.257 -12.107 1.00 10.36 H new ATOM 0 HG3 LYS A 115 4.899 -4.954 -13.646 1.00 10.36 H new ATOM 0 HD2 LYS A 115 2.914 -3.578 -13.552 1.00 10.71 H new ATOM 0 HD3 LYS A 115 2.628 -4.839 -14.736 1.00 10.71 H new ATOM 0 HE2 LYS A 115 1.591 -6.146 -12.667 1.00 10.61 H new ATOM 0 HE3 LYS A 115 1.468 -4.546 -11.962 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -0.550 -5.147 -13.130 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 0.189 -3.822 -13.894 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 0.309 -5.372 -14.578 1.00 10.83 H new ATOM 1754 N LEU A 116 5.771 -7.251 -10.500 1.00 9.19 N ATOM 1755 CA LEU A 116 7.071 -6.994 -9.905 1.00 8.69 C ATOM 1756 C LEU A 116 7.970 -8.249 -9.912 1.00 9.07 C ATOM 1757 O LEU A 116 7.542 -9.317 -10.363 1.00 9.05 O ATOM 1758 CB LEU A 116 6.892 -6.436 -8.488 1.00 7.40 C ATOM 1759 CG LEU A 116 6.762 -4.909 -8.404 1.00 6.84 C ATOM 1760 CD1 LEU A 116 5.888 -4.507 -7.226 1.00 6.44 C ATOM 1761 CD2 LEU A 116 8.135 -4.259 -8.287 1.00 6.43 C ATOM 0 H LEU A 116 4.989 -7.137 -9.856 1.00 9.19 H new ATOM 0 HA LEU A 116 7.583 -6.248 -10.513 1.00 8.69 H new ATOM 0 HB2 LEU A 116 6.003 -6.886 -8.046 1.00 7.40 H new ATOM 0 HB3 LEU A 116 7.742 -6.747 -7.881 1.00 7.40 H new ATOM 0 HG LEU A 116 6.289 -4.559 -9.321 1.00 6.84 H new ATOM 0 HD11 LEU A 116 5.809 -3.421 -7.185 1.00 6.44 H new ATOM 0 HD12 LEU A 116 4.894 -4.938 -7.346 1.00 6.44 H new ATOM 0 HD13 LEU A 116 6.333 -4.873 -6.301 1.00 6.44 H new ATOM 0 HD21 LEU A 116 8.021 -3.177 -8.229 1.00 6.43 H new ATOM 0 HD22 LEU A 116 8.633 -4.621 -7.387 1.00 6.43 H new ATOM 0 HD23 LEU A 116 8.734 -4.514 -9.161 1.00 6.43 H new ATOM 1773 N THR A 117 9.203 -8.118 -9.405 1.00 9.56 N ATOM 1774 CA THR A 117 10.151 -9.213 -9.404 1.00 10.01 C ATOM 1775 C THR A 117 10.313 -9.893 -8.074 1.00 9.24 C ATOM 1776 O THR A 117 9.614 -9.623 -7.101 1.00 8.29 O ATOM 1777 CB THR A 117 11.557 -8.775 -9.849 1.00 11.26 C ATOM 1778 OG1 THR A 117 11.909 -7.519 -9.254 1.00 11.46 O ATOM 1779 CG2 THR A 117 11.601 -8.674 -11.344 1.00 12.18 C ATOM 0 H THR A 117 9.558 -7.256 -8.991 1.00 9.56 H new ATOM 0 HA THR A 117 9.713 -9.915 -10.114 1.00 10.01 H new ATOM 0 HB THR A 117 12.280 -9.520 -9.517 1.00 11.26 H new ATOM 0 HG1 THR A 117 12.807 -7.258 -9.548 1.00 11.46 H new ATOM 0 HG21 THR A 117 12.597 -8.364 -11.659 1.00 12.18 H new ATOM 0 HG22 THR A 117 11.368 -9.645 -11.781 1.00 12.18 H new ATOM 0 HG23 THR A 117 10.869 -7.940 -11.681 1.00 12.18 H new ATOM 1787 N ASP A 118 11.260 -10.819 -8.104 1.00 9.74 N ATOM 1788 CA ASP A 118 11.684 -11.608 -6.965 1.00 9.28 C ATOM 1789 C ASP A 118 12.303 -10.742 -5.888 1.00 9.42 C ATOM 1790 O ASP A 118 12.273 -11.090 -4.708 1.00 8.80 O ATOM 1791 CB ASP A 118 12.702 -12.603 -7.473 1.00 10.08 C ATOM 1792 CG ASP A 118 12.069 -13.874 -8.004 1.00 9.81 C ATOM 1793 OD1 ASP A 118 11.537 -13.845 -9.134 1.00 9.86 O ATOM 1794 OD2 ASP A 118 12.107 -14.899 -7.292 1.00 9.76 O ATOM 0 H ASP A 118 11.771 -11.047 -8.956 1.00 9.74 H new ATOM 0 HA ASP A 118 10.824 -12.107 -6.518 1.00 9.28 H new ATOM 0 HB2 ASP A 118 13.293 -12.140 -8.263 1.00 10.08 H new ATOM 0 HB3 ASP A 118 13.390 -12.855 -6.666 1.00 10.08 H new ATOM 1799 N GLU A 119 12.864 -9.609 -6.316 1.00 10.37 N ATOM 1800 CA GLU A 119 13.465 -8.642 -5.404 1.00 10.83 C ATOM 1801 C GLU A 119 12.384 -8.031 -4.520 1.00 10.04 C ATOM 1802 O GLU A 119 12.669 -7.494 -3.446 1.00 10.27 O ATOM 1803 CB GLU A 119 14.239 -7.562 -6.170 1.00 12.10 C ATOM 1804 CG GLU A 119 15.413 -6.975 -5.397 1.00 13.08 C ATOM 1805 CD GLU A 119 16.156 -5.913 -6.183 1.00 14.16 C ATOM 1806 OE1 GLU A 119 15.783 -4.726 -6.077 1.00 14.50 O ATOM 1807 OE2 GLU A 119 17.112 -6.268 -6.904 1.00 14.78 O ATOM 0 H GLU A 119 12.913 -9.340 -7.299 1.00 10.37 H new ATOM 0 HA GLU A 119 14.185 -9.158 -4.768 1.00 10.83 H new ATOM 0 HB2 GLU A 119 14.608 -7.987 -7.103 1.00 12.10 H new ATOM 0 HB3 GLU A 119 13.553 -6.757 -6.435 1.00 12.10 H new ATOM 0 HG2 GLU A 119 15.050 -6.544 -4.464 1.00 13.08 H new ATOM 0 HG3 GLU A 119 16.104 -7.775 -5.131 1.00 13.08 H new ATOM 1814 N GLU A 120 11.138 -8.125 -5.005 1.00 9.24 N ATOM 1815 CA GLU A 120 9.969 -7.697 -4.249 1.00 8.40 C ATOM 1816 C GLU A 120 9.819 -8.681 -3.105 1.00 7.57 C ATOM 1817 O GLU A 120 9.595 -8.299 -1.964 1.00 7.44 O ATOM 1818 CB GLU A 120 8.697 -7.713 -5.120 1.00 7.71 C ATOM 1819 CG GLU A 120 7.522 -6.884 -4.585 1.00 7.14 C ATOM 1820 CD GLU A 120 7.866 -5.428 -4.299 1.00 8.10 C ATOM 1821 OE1 GLU A 120 7.793 -5.022 -3.120 1.00 8.52 O ATOM 1822 OE2 GLU A 120 8.211 -4.699 -5.253 1.00 8.58 O ATOM 0 H GLU A 120 10.920 -8.499 -5.929 1.00 9.24 H new ATOM 0 HA GLU A 120 10.099 -6.674 -3.895 1.00 8.40 H new ATOM 0 HB2 GLU A 120 8.954 -7.348 -6.115 1.00 7.71 H new ATOM 0 HB3 GLU A 120 8.368 -8.746 -5.234 1.00 7.71 H new ATOM 0 HG2 GLU A 120 6.708 -6.918 -5.309 1.00 7.14 H new ATOM 0 HG3 GLU A 120 7.153 -7.346 -3.669 1.00 7.14 H new ATOM 1829 N VAL A 121 10.025 -9.966 -3.433 1.00 7.19 N ATOM 1830 CA VAL A 121 9.936 -11.028 -2.480 1.00 6.42 C ATOM 1831 C VAL A 121 11.120 -10.998 -1.511 1.00 7.15 C ATOM 1832 O VAL A 121 10.927 -11.062 -0.299 1.00 6.95 O ATOM 1833 CB VAL A 121 9.840 -12.365 -3.235 1.00 5.97 C ATOM 1834 CG1 VAL A 121 9.602 -13.487 -2.268 1.00 5.00 C ATOM 1835 CG2 VAL A 121 8.723 -12.306 -4.276 1.00 5.72 C ATOM 0 H VAL A 121 10.258 -10.275 -4.377 1.00 7.19 H new ATOM 0 HA VAL A 121 9.039 -10.904 -1.873 1.00 6.42 H new ATOM 0 HB VAL A 121 10.782 -12.547 -3.752 1.00 5.97 H new ATOM 0 HG11 VAL A 121 9.536 -14.429 -2.813 1.00 5.00 H new ATOM 0 HG12 VAL A 121 10.427 -13.536 -1.557 1.00 5.00 H new ATOM 0 HG13 VAL A 121 8.670 -13.312 -1.730 1.00 5.00 H new ATOM 0 HG21 VAL A 121 8.666 -13.258 -4.803 1.00 5.72 H new ATOM 0 HG22 VAL A 121 7.773 -12.109 -3.779 1.00 5.72 H new ATOM 0 HG23 VAL A 121 8.932 -11.509 -4.989 1.00 5.72 H new ATOM 1845 N ASP A 122 12.329 -10.853 -2.062 1.00 8.17 N ATOM 1846 CA ASP A 122 13.572 -10.780 -1.257 1.00 9.00 C ATOM 1847 C ASP A 122 13.534 -9.582 -0.306 1.00 9.58 C ATOM 1848 O ASP A 122 14.207 -9.571 0.728 1.00 10.07 O ATOM 1849 CB ASP A 122 14.813 -10.692 -2.153 1.00 10.08 C ATOM 1850 CG ASP A 122 15.020 -11.935 -2.999 1.00 9.97 C ATOM 1851 OD1 ASP A 122 15.467 -12.962 -2.446 1.00 10.09 O ATOM 1852 OD2 ASP A 122 14.738 -11.880 -4.215 1.00 9.98 O ATOM 0 H ASP A 122 12.483 -10.783 -3.068 1.00 8.17 H new ATOM 0 HA ASP A 122 13.634 -11.697 -0.671 1.00 9.00 H new ATOM 0 HB2 ASP A 122 14.722 -9.825 -2.807 1.00 10.08 H new ATOM 0 HB3 ASP A 122 15.693 -10.531 -1.531 1.00 10.08 H new ATOM 1857 N GLU A 123 12.730 -8.581 -0.686 1.00 9.61 N ATOM 1858 CA GLU A 123 12.528 -7.362 0.105 1.00 10.24 C ATOM 1859 C GLU A 123 11.707 -7.687 1.365 1.00 9.65 C ATOM 1860 O GLU A 123 11.923 -7.103 2.426 1.00 10.36 O ATOM 1861 CB GLU A 123 11.819 -6.297 -0.743 1.00 10.45 C ATOM 1862 CG GLU A 123 12.125 -4.864 -0.324 1.00 11.70 C ATOM 1863 CD GLU A 123 11.407 -3.841 -1.181 1.00 11.94 C ATOM 1864 OE1 GLU A 123 10.268 -3.466 -0.830 1.00 12.02 O ATOM 1865 OE2 GLU A 123 11.984 -3.413 -2.204 1.00 12.16 O ATOM 0 H GLU A 123 12.198 -8.595 -1.556 1.00 9.61 H new ATOM 0 HA GLU A 123 13.497 -6.969 0.413 1.00 10.24 H new ATOM 0 HB2 GLU A 123 12.106 -6.428 -1.786 1.00 10.45 H new ATOM 0 HB3 GLU A 123 10.743 -6.459 -0.685 1.00 10.45 H new ATOM 0 HG2 GLU A 123 11.838 -4.725 0.718 1.00 11.70 H new ATOM 0 HG3 GLU A 123 13.200 -4.693 -0.384 1.00 11.70 H new ATOM 1872 N MET A 124 10.718 -8.577 1.210 1.00 8.45 N ATOM 1873 CA MET A 124 9.892 -9.027 2.334 1.00 7.91 C ATOM 1874 C MET A 124 10.494 -10.230 3.038 1.00 7.70 C ATOM 1875 O MET A 124 10.173 -10.497 4.200 1.00 7.76 O ATOM 1876 CB MET A 124 8.465 -9.347 1.880 1.00 6.78 C ATOM 1877 CG MET A 124 7.527 -8.149 1.885 1.00 6.98 C ATOM 1878 SD MET A 124 6.574 -8.010 0.364 1.00 6.62 S ATOM 1879 CE MET A 124 7.718 -7.074 -0.635 1.00 7.40 C ATOM 0 H MET A 124 10.472 -8.999 0.315 1.00 8.45 H new ATOM 0 HA MET A 124 9.859 -8.203 3.046 1.00 7.91 H new ATOM 0 HB2 MET A 124 8.500 -9.763 0.873 1.00 6.78 H new ATOM 0 HB3 MET A 124 8.053 -10.120 2.529 1.00 6.78 H new ATOM 0 HG2 MET A 124 6.844 -8.230 2.731 1.00 6.98 H new ATOM 0 HG3 MET A 124 8.108 -7.238 2.030 1.00 6.98 H new ATOM 0 HE1 MET A 124 7.643 -7.397 -1.673 1.00 7.40 H new ATOM 0 HE2 MET A 124 7.477 -6.013 -0.566 1.00 7.40 H new ATOM 0 HE3 MET A 124 8.734 -7.239 -0.276 1.00 7.40 H new ATOM 1889 N ILE A 125 11.366 -10.953 2.332 1.00 7.60 N ATOM 1890 CA ILE A 125 12.010 -12.138 2.878 1.00 7.41 C ATOM 1891 C ILE A 125 12.907 -11.817 4.060 1.00 8.49 C ATOM 1892 O ILE A 125 12.849 -12.502 5.077 1.00 8.45 O ATOM 1893 CB ILE A 125 12.785 -12.928 1.817 1.00 7.24 C ATOM 1894 CG1 ILE A 125 11.813 -13.564 0.823 1.00 6.16 C ATOM 1895 CG2 ILE A 125 13.598 -13.984 2.509 1.00 7.27 C ATOM 1896 CD1 ILE A 125 12.431 -13.950 -0.484 1.00 6.48 C ATOM 0 H ILE A 125 11.640 -10.732 1.375 1.00 7.60 H new ATOM 0 HA ILE A 125 11.199 -12.772 3.236 1.00 7.41 H new ATOM 0 HB ILE A 125 13.446 -12.262 1.263 1.00 7.24 H new ATOM 0 HG12 ILE A 125 11.374 -14.451 1.280 1.00 6.16 H new ATOM 0 HG13 ILE A 125 10.997 -12.866 0.634 1.00 6.16 H new ATOM 0 HG21 ILE A 125 14.157 -14.557 1.769 1.00 7.27 H new ATOM 0 HG22 ILE A 125 14.294 -13.511 3.203 1.00 7.27 H new ATOM 0 HG23 ILE A 125 12.935 -14.652 3.059 1.00 7.27 H new ATOM 0 HD11 ILE A 125 11.672 -14.393 -1.129 1.00 6.48 H new ATOM 0 HD12 ILE A 125 12.845 -13.064 -0.966 1.00 6.48 H new ATOM 0 HD13 ILE A 125 13.227 -14.674 -0.310 1.00 6.48 H new ATOM 1908 N ARG A 126 13.770 -10.826 3.881 1.00 9.53 N ATOM 1909 CA ARG A 126 14.674 -10.347 4.947 1.00 10.70 C ATOM 1910 C ARG A 126 13.957 -10.292 6.290 1.00 10.89 C ATOM 1911 O ARG A 126 14.460 -10.799 7.297 1.00 11.45 O ATOM 1912 CB ARG A 126 15.239 -8.955 4.639 1.00 11.76 C ATOM 1913 CG ARG A 126 14.276 -7.972 3.977 1.00 12.03 C ATOM 1914 CD ARG A 126 14.887 -7.352 2.734 1.00 12.20 C ATOM 1915 NE ARG A 126 14.356 -6.012 2.461 1.00 12.92 N ATOM 1916 CZ ARG A 126 15.025 -5.042 1.821 1.00 13.50 C ATOM 1917 NH1 ARG A 126 16.264 -5.239 1.373 1.00 13.44 N ATOM 1918 NH2 ARG A 126 14.449 -3.863 1.634 1.00 14.26 N ATOM 0 H ARG A 126 13.872 -10.325 2.999 1.00 9.53 H new ATOM 0 HA ARG A 126 15.497 -11.061 4.994 1.00 10.70 H new ATOM 0 HB2 ARG A 126 15.593 -8.514 5.571 1.00 11.76 H new ATOM 0 HB3 ARG A 126 16.108 -9.073 3.992 1.00 11.76 H new ATOM 0 HG2 ARG A 126 13.353 -8.487 3.712 1.00 12.03 H new ATOM 0 HG3 ARG A 126 14.011 -7.187 4.685 1.00 12.03 H new ATOM 0 HD2 ARG A 126 15.969 -7.294 2.854 1.00 12.20 H new ATOM 0 HD3 ARG A 126 14.695 -7.998 1.877 1.00 12.20 H new ATOM 0 HE ARG A 126 13.410 -5.803 2.781 1.00 12.92 H new ATOM 0 HH11 ARG A 126 16.720 -6.140 1.515 1.00 13.44 H new ATOM 0 HH12 ARG A 126 16.756 -4.489 0.888 1.00 13.44 H new ATOM 0 HH21 ARG A 126 13.502 -3.698 1.976 1.00 14.26 H new ATOM 0 HH22 ARG A 126 14.952 -3.121 1.148 1.00 14.26 H new ATOM 1932 N GLU A 127 12.772 -9.664 6.282 1.00 10.50 N ATOM 1933 CA GLU A 127 11.938 -9.573 7.488 1.00 10.79 C ATOM 1934 C GLU A 127 11.472 -10.960 7.949 1.00 10.06 C ATOM 1935 O GLU A 127 11.288 -11.189 9.148 1.00 10.61 O ATOM 1936 CB GLU A 127 10.726 -8.686 7.231 1.00 10.70 C ATOM 1937 CG GLU A 127 11.032 -7.191 7.266 1.00 11.77 C ATOM 1938 CD GLU A 127 11.190 -6.648 8.677 1.00 12.85 C ATOM 1939 OE1 GLU A 127 12.330 -6.647 9.189 1.00 13.26 O ATOM 1940 OE2 GLU A 127 10.174 -6.224 9.267 1.00 13.42 O ATOM 0 H GLU A 127 12.372 -9.214 5.459 1.00 10.50 H new ATOM 0 HA GLU A 127 12.547 -9.133 8.278 1.00 10.79 H new ATOM 0 HB2 GLU A 127 10.304 -8.937 6.258 1.00 10.70 H new ATOM 0 HB3 GLU A 127 9.962 -8.908 7.976 1.00 10.70 H new ATOM 0 HG2 GLU A 127 11.947 -7.000 6.705 1.00 11.77 H new ATOM 0 HG3 GLU A 127 10.231 -6.650 6.762 1.00 11.77 H new ATOM 1947 N ALA A 128 11.286 -11.878 6.982 1.00 8.89 N ATOM 1948 CA ALA A 128 10.858 -13.251 7.273 1.00 8.16 C ATOM 1949 C ALA A 128 12.010 -14.157 7.724 1.00 8.57 C ATOM 1950 O ALA A 128 11.784 -15.143 8.431 1.00 8.66 O ATOM 1951 CB ALA A 128 10.246 -13.843 6.032 1.00 6.87 C ATOM 0 H ALA A 128 11.427 -11.688 5.990 1.00 8.89 H new ATOM 0 HA ALA A 128 10.142 -13.196 8.093 1.00 8.16 H new ATOM 0 HB1 ALA A 128 9.924 -14.864 6.237 1.00 6.87 H new ATOM 0 HB2 ALA A 128 9.386 -13.245 5.730 1.00 6.87 H new ATOM 0 HB3 ALA A 128 10.984 -13.849 5.230 1.00 6.87 H new ATOM 1957 N ALA A 129 13.239 -13.813 7.286 1.00 8.95 N ATOM 1958 CA ALA A 129 14.482 -14.570 7.572 1.00 9.43 C ATOM 1959 C ALA A 129 14.592 -15.781 6.639 1.00 8.51 C ATOM 1960 O ALA A 129 15.558 -15.895 5.880 1.00 8.76 O ATOM 1961 CB ALA A 129 14.611 -14.984 9.046 1.00 10.42 C ATOM 0 H ALA A 129 13.401 -12.986 6.712 1.00 8.95 H new ATOM 0 HA ALA A 129 15.318 -13.897 7.379 1.00 9.43 H new ATOM 0 HB1 ALA A 129 15.541 -15.534 9.189 1.00 10.42 H new ATOM 0 HB2 ALA A 129 14.615 -14.094 9.675 1.00 10.42 H new ATOM 0 HB3 ALA A 129 13.768 -15.618 9.321 1.00 10.42 H new ATOM 1967 N ILE A 130 13.580 -16.677 6.696 1.00 7.54 N ATOM 1968 CA ILE A 130 13.494 -17.895 5.848 1.00 6.69 C ATOM 1969 C ILE A 130 14.540 -18.965 6.198 1.00 6.68 C ATOM 1970 O ILE A 130 14.249 -20.163 6.156 1.00 6.97 O ATOM 1971 CB ILE A 130 13.539 -17.531 4.315 1.00 5.80 C ATOM 1972 CG1 ILE A 130 12.232 -17.934 3.615 1.00 5.43 C ATOM 1973 CG2 ILE A 130 14.731 -18.144 3.575 1.00 6.19 C ATOM 1974 CD1 ILE A 130 11.140 -16.885 3.691 1.00 4.53 C ATOM 0 H ILE A 130 12.792 -16.577 7.336 1.00 7.54 H new ATOM 0 HA ILE A 130 12.525 -18.342 6.068 1.00 6.69 H new ATOM 0 HB ILE A 130 13.661 -16.449 4.274 1.00 5.80 H new ATOM 0 HG12 ILE A 130 12.444 -18.147 2.567 1.00 5.43 H new ATOM 0 HG13 ILE A 130 11.864 -18.859 4.060 1.00 5.43 H new ATOM 0 HG21 ILE A 130 14.697 -17.851 2.526 1.00 6.19 H new ATOM 0 HG22 ILE A 130 15.659 -17.787 4.022 1.00 6.19 H new ATOM 0 HG23 ILE A 130 14.686 -19.230 3.650 1.00 6.19 H new ATOM 0 HD11 ILE A 130 10.252 -17.247 3.173 1.00 4.53 H new ATOM 0 HD12 ILE A 130 10.897 -16.688 4.735 1.00 4.53 H new ATOM 0 HD13 ILE A 130 11.486 -15.965 3.219 1.00 4.53 H new ATOM 1986 N ASP A 131 15.741 -18.508 6.537 1.00 6.58 N ATOM 1987 CA ASP A 131 16.880 -19.375 6.877 1.00 6.68 C ATOM 1988 C ASP A 131 16.555 -20.367 8.001 1.00 6.59 C ATOM 1989 O ASP A 131 15.673 -20.120 8.829 1.00 6.80 O ATOM 1990 CB ASP A 131 18.094 -18.517 7.257 1.00 7.70 C ATOM 1991 CG ASP A 131 19.417 -19.206 6.966 1.00 7.98 C ATOM 1992 OD1 ASP A 131 19.927 -19.913 7.859 1.00 8.18 O ATOM 1993 OD2 ASP A 131 19.940 -19.037 5.844 1.00 8.25 O ATOM 0 H ASP A 131 15.961 -17.513 6.586 1.00 6.58 H new ATOM 0 HA ASP A 131 17.110 -19.968 5.992 1.00 6.68 H new ATOM 0 HB2 ASP A 131 18.052 -17.575 6.711 1.00 7.70 H new ATOM 0 HB3 ASP A 131 18.043 -18.273 8.318 1.00 7.70 H new ATOM 1998 N GLY A 132 17.290 -21.484 8.003 1.00 6.49 N ATOM 1999 CA GLY A 132 17.086 -22.533 8.986 1.00 6.52 C ATOM 2000 C GLY A 132 16.293 -23.687 8.405 1.00 5.87 C ATOM 2001 O GLY A 132 16.702 -24.847 8.509 1.00 6.01 O ATOM 0 H GLY A 132 18.031 -21.678 7.330 1.00 6.49 H new ATOM 0 HA2 GLY A 132 18.051 -22.895 9.341 1.00 6.52 H new ATOM 0 HA3 GLY A 132 16.561 -22.127 9.850 1.00 6.52 H new ATOM 2005 N ASP A 133 15.154 -23.351 7.793 1.00 5.34 N ATOM 2006 CA ASP A 133 14.273 -24.329 7.168 1.00 4.95 C ATOM 2007 C ASP A 133 14.249 -24.076 5.686 1.00 4.57 C ATOM 2008 O ASP A 133 14.111 -24.991 4.868 1.00 4.65 O ATOM 2009 CB ASP A 133 12.854 -24.143 7.658 1.00 4.99 C ATOM 2010 CG ASP A 133 12.114 -25.453 7.854 1.00 5.63 C ATOM 2011 OD1 ASP A 133 12.032 -25.921 9.009 1.00 6.07 O ATOM 2012 OD2 ASP A 133 11.619 -26.011 6.852 1.00 5.97 O ATOM 0 H ASP A 133 14.820 -22.390 7.719 1.00 5.34 H new ATOM 0 HA ASP A 133 14.636 -25.328 7.410 1.00 4.95 H new ATOM 0 HB2 ASP A 133 12.871 -23.598 8.602 1.00 4.99 H new ATOM 0 HB3 ASP A 133 12.307 -23.527 6.944 1.00 4.99 H new ATOM 2017 N GLY A 134 14.394 -22.791 5.377 1.00 4.47 N ATOM 2018 CA GLY A 134 14.369 -22.322 4.034 1.00 4.33 C ATOM 2019 C GLY A 134 12.983 -21.891 3.557 1.00 3.73 C ATOM 2020 O GLY A 134 12.860 -21.220 2.528 1.00 3.75 O ATOM 0 H GLY A 134 14.532 -22.056 6.071 1.00 4.47 H new ATOM 0 HA2 GLY A 134 15.054 -21.479 3.941 1.00 4.33 H new ATOM 0 HA3 GLY A 134 14.741 -23.109 3.377 1.00 4.33 H new ATOM 2024 N GLN A 135 11.948 -22.280 4.312 1.00 3.55 N ATOM 2025 CA GLN A 135 10.561 -21.938 4.006 1.00 3.33 C ATOM 2026 C GLN A 135 10.013 -20.892 5.003 1.00 3.69 C ATOM 2027 O GLN A 135 10.771 -20.338 5.806 1.00 4.33 O ATOM 2028 CB GLN A 135 9.710 -23.216 4.006 1.00 3.82 C ATOM 2029 CG GLN A 135 9.825 -24.095 5.254 1.00 4.41 C ATOM 2030 CD GLN A 135 8.986 -25.355 5.158 1.00 5.26 C ATOM 2031 OE1 GLN A 135 7.739 -25.271 5.605 1.00 5.74 O flip ATOM 2032 NE2 GLN A 135 9.453 -26.391 4.686 1.00 5.78 N flip ATOM 0 H GLN A 135 12.054 -22.843 5.156 1.00 3.55 H new ATOM 0 HA GLN A 135 10.514 -21.486 3.015 1.00 3.33 H new ATOM 0 HB2 GLN A 135 8.665 -22.934 3.879 1.00 3.82 H new ATOM 0 HB3 GLN A 135 9.986 -23.814 3.137 1.00 3.82 H new ATOM 0 HG2 GLN A 135 10.869 -24.369 5.406 1.00 4.41 H new ATOM 0 HG3 GLN A 135 9.515 -23.522 6.128 1.00 4.41 H new ATOM 0 HE21 GLN A 135 10.417 -26.411 4.354 1.00 5.78 H new ATOM 0 HE22 GLN A 135 8.876 -27.230 4.627 1.00 5.78 H new ATOM 2041 N VAL A 136 8.695 -20.633 4.939 1.00 3.59 N ATOM 2042 CA VAL A 136 8.020 -19.669 5.814 1.00 4.23 C ATOM 2043 C VAL A 136 6.538 -20.034 5.964 1.00 4.67 C ATOM 2044 O VAL A 136 6.135 -21.152 5.646 1.00 4.74 O ATOM 2045 CB VAL A 136 8.227 -18.200 5.291 1.00 4.02 C ATOM 2046 CG1 VAL A 136 7.457 -17.923 3.998 1.00 3.51 C ATOM 2047 CG2 VAL A 136 7.907 -17.145 6.354 1.00 5.08 C ATOM 0 H VAL A 136 8.069 -21.090 4.275 1.00 3.59 H new ATOM 0 HA VAL A 136 8.467 -19.715 6.807 1.00 4.23 H new ATOM 0 HB VAL A 136 9.290 -18.119 5.062 1.00 4.02 H new ATOM 0 HG11 VAL A 136 7.635 -16.895 3.681 1.00 3.51 H new ATOM 0 HG12 VAL A 136 7.796 -18.606 3.219 1.00 3.51 H new ATOM 0 HG13 VAL A 136 6.391 -18.070 4.171 1.00 3.51 H new ATOM 0 HG21 VAL A 136 8.067 -16.150 5.939 1.00 5.08 H new ATOM 0 HG22 VAL A 136 6.867 -17.245 6.665 1.00 5.08 H new ATOM 0 HG23 VAL A 136 8.559 -17.288 7.216 1.00 5.08 H new ATOM 2057 N ASN A 137 5.757 -19.090 6.472 1.00 5.28 N ATOM 2058 CA ASN A 137 4.326 -19.303 6.670 1.00 5.95 C ATOM 2059 C ASN A 137 3.506 -18.539 5.628 1.00 5.49 C ATOM 2060 O ASN A 137 4.050 -17.903 4.721 1.00 4.60 O ATOM 2061 CB ASN A 137 3.861 -18.936 8.099 1.00 7.18 C ATOM 2062 CG ASN A 137 4.738 -19.509 9.207 1.00 7.90 C ATOM 2063 OD1 ASN A 137 5.967 -19.523 9.111 1.00 8.11 O ATOM 2064 ND2 ASN A 137 4.103 -19.987 10.271 1.00 8.51 N ATOM 0 H ASN A 137 6.089 -18.168 6.755 1.00 5.28 H new ATOM 0 HA ASN A 137 4.152 -20.371 6.540 1.00 5.95 H new ATOM 0 HB2 ASN A 137 3.838 -17.850 8.194 1.00 7.18 H new ATOM 0 HB3 ASN A 137 2.840 -19.290 8.239 1.00 7.18 H new ATOM 0 HD21 ASN A 137 4.634 -20.384 11.046 1.00 8.51 H new ATOM 0 HD22 ASN A 137 3.084 -19.957 10.313 1.00 8.51 H new ATOM 2071 N TYR A 138 2.194 -18.623 5.794 1.00 6.22 N ATOM 2072 CA TYR A 138 1.209 -18.021 4.902 1.00 6.03 C ATOM 2073 C TYR A 138 0.687 -16.695 5.455 1.00 6.55 C ATOM 2074 O TYR A 138 0.485 -15.736 4.709 1.00 6.13 O ATOM 2075 CB TYR A 138 0.036 -19.006 4.711 1.00 6.78 C ATOM 2076 CG TYR A 138 -0.292 -19.763 5.976 1.00 7.93 C ATOM 2077 CD1 TYR A 138 0.678 -20.543 6.588 1.00 8.62 C ATOM 2078 CD2 TYR A 138 -1.526 -19.649 6.590 1.00 8.50 C ATOM 2079 CE1 TYR A 138 0.441 -21.176 7.751 1.00 9.65 C ATOM 2080 CE2 TYR A 138 -1.783 -20.305 7.774 1.00 9.54 C ATOM 2081 CZ TYR A 138 -0.792 -21.070 8.358 1.00 10.06 C ATOM 2082 OH TYR A 138 -1.033 -21.717 9.548 1.00 11.13 O ATOM 0 H TYR A 138 1.772 -19.126 6.575 1.00 6.22 H new ATOM 0 HA TYR A 138 1.689 -17.815 3.945 1.00 6.03 H new ATOM 0 HB2 TYR A 138 -0.846 -18.457 4.380 1.00 6.78 H new ATOM 0 HB3 TYR A 138 0.285 -19.715 3.921 1.00 6.78 H new ATOM 0 HD1 TYR A 138 1.646 -20.644 6.120 1.00 8.62 H new ATOM 0 HD2 TYR A 138 -2.295 -19.040 6.137 1.00 8.50 H new ATOM 0 HE1 TYR A 138 1.218 -21.769 8.210 1.00 9.65 H new ATOM 0 HE2 TYR A 138 -2.753 -20.222 8.242 1.00 9.54 H new ATOM 0 HH TYR A 138 -1.951 -21.536 9.839 1.00 11.13 H new ATOM 2092 N GLU A 139 0.474 -16.668 6.775 1.00 7.59 N ATOM 2093 CA GLU A 139 -0.061 -15.494 7.475 1.00 8.39 C ATOM 2094 C GLU A 139 1.011 -14.459 7.819 1.00 8.26 C ATOM 2095 O GLU A 139 0.723 -13.265 7.854 1.00 8.61 O ATOM 2096 CB GLU A 139 -0.754 -15.932 8.766 1.00 9.64 C ATOM 2097 CG GLU A 139 -2.063 -16.679 8.548 1.00 10.21 C ATOM 2098 CD GLU A 139 -2.702 -17.127 9.847 1.00 11.39 C ATOM 2099 OE1 GLU A 139 -2.349 -18.221 10.336 1.00 11.90 O ATOM 2100 OE2 GLU A 139 -3.557 -16.385 10.376 1.00 11.94 O ATOM 0 H GLU A 139 0.668 -17.459 7.389 1.00 7.59 H new ATOM 0 HA GLU A 139 -0.767 -15.022 6.792 1.00 8.39 H new ATOM 0 HB2 GLU A 139 -0.075 -16.569 9.332 1.00 9.64 H new ATOM 0 HB3 GLU A 139 -0.949 -15.051 9.378 1.00 9.64 H new ATOM 0 HG2 GLU A 139 -2.758 -16.036 8.008 1.00 10.21 H new ATOM 0 HG3 GLU A 139 -1.880 -17.550 7.918 1.00 10.21 H new ATOM 2107 N GLU A 140 2.234 -14.929 8.080 1.00 7.94 N ATOM 2108 CA GLU A 140 3.349 -14.050 8.475 1.00 8.10 C ATOM 2109 C GLU A 140 4.098 -13.394 7.303 1.00 7.13 C ATOM 2110 O GLU A 140 4.747 -12.363 7.507 1.00 7.54 O ATOM 2111 CB GLU A 140 4.349 -14.828 9.336 1.00 8.42 C ATOM 2112 CG GLU A 140 3.850 -15.124 10.744 1.00 9.47 C ATOM 2113 CD GLU A 140 4.859 -15.898 11.569 1.00 9.95 C ATOM 2114 OE1 GLU A 140 5.680 -15.257 12.257 1.00 10.29 O ATOM 2115 OE2 GLU A 140 4.827 -17.146 11.528 1.00 10.17 O ATOM 0 H GLU A 140 2.482 -15.917 8.026 1.00 7.94 H new ATOM 0 HA GLU A 140 2.889 -13.237 9.037 1.00 8.10 H new ATOM 0 HB2 GLU A 140 4.586 -15.769 8.840 1.00 8.42 H new ATOM 0 HB3 GLU A 140 5.277 -14.260 9.402 1.00 8.42 H new ATOM 0 HG2 GLU A 140 3.617 -14.186 11.248 1.00 9.47 H new ATOM 0 HG3 GLU A 140 2.922 -15.693 10.685 1.00 9.47 H new ATOM 2122 N PHE A 141 4.021 -13.966 6.089 1.00 5.98 N ATOM 2123 CA PHE A 141 4.740 -13.406 4.942 1.00 5.06 C ATOM 2124 C PHE A 141 3.978 -12.290 4.228 1.00 4.76 C ATOM 2125 O PHE A 141 4.477 -11.165 4.127 1.00 5.06 O ATOM 2126 CB PHE A 141 5.173 -14.498 3.959 1.00 3.97 C ATOM 2127 CG PHE A 141 6.429 -14.126 3.248 1.00 3.73 C ATOM 2128 CD1 PHE A 141 6.373 -13.342 2.114 1.00 3.83 C ATOM 2129 CD2 PHE A 141 7.660 -14.517 3.743 1.00 4.10 C ATOM 2130 CE1 PHE A 141 7.524 -12.949 1.481 1.00 4.24 C ATOM 2131 CE2 PHE A 141 8.825 -14.137 3.101 1.00 4.47 C ATOM 2132 CZ PHE A 141 8.744 -13.350 1.972 1.00 4.52 C ATOM 0 H PHE A 141 3.476 -14.803 5.882 1.00 5.98 H new ATOM 0 HA PHE A 141 5.636 -12.943 5.355 1.00 5.06 H new ATOM 0 HB2 PHE A 141 5.322 -15.435 4.496 1.00 3.97 H new ATOM 0 HB3 PHE A 141 4.379 -14.670 3.232 1.00 3.97 H new ATOM 0 HD1 PHE A 141 5.415 -13.035 1.722 1.00 3.83 H new ATOM 0 HD2 PHE A 141 7.712 -15.122 4.636 1.00 4.10 H new ATOM 0 HE1 PHE A 141 7.472 -12.327 0.600 1.00 4.24 H new ATOM 0 HE2 PHE A 141 9.786 -14.453 3.480 1.00 4.47 H new ATOM 0 HZ PHE A 141 9.649 -13.045 1.468 1.00 4.52 H new ATOM 2142 N VAL A 142 2.787 -12.610 3.729 1.00 4.40 N ATOM 2143 CA VAL A 142 1.912 -11.625 3.029 1.00 4.15 C ATOM 2144 C VAL A 142 1.612 -10.470 3.966 1.00 5.25 C ATOM 2145 O VAL A 142 1.403 -9.333 3.545 1.00 5.25 O ATOM 2146 CB VAL A 142 0.553 -12.216 2.567 1.00 4.09 C ATOM 2147 CG1 VAL A 142 0.112 -11.625 1.240 1.00 3.37 C ATOM 2148 CG2 VAL A 142 0.606 -13.721 2.475 1.00 3.96 C ATOM 0 H VAL A 142 2.388 -13.547 3.788 1.00 4.40 H new ATOM 0 HA VAL A 142 2.460 -11.310 2.141 1.00 4.15 H new ATOM 0 HB VAL A 142 -0.183 -11.946 3.324 1.00 4.09 H new ATOM 0 HG11 VAL A 142 -0.843 -12.061 0.947 1.00 3.37 H new ATOM 0 HG12 VAL A 142 0.002 -10.545 1.341 1.00 3.37 H new ATOM 0 HG13 VAL A 142 0.860 -11.844 0.478 1.00 3.37 H new ATOM 0 HG21 VAL A 142 -0.363 -14.100 2.149 1.00 3.96 H new ATOM 0 HG22 VAL A 142 1.371 -14.015 1.757 1.00 3.96 H new ATOM 0 HG23 VAL A 142 0.848 -14.137 3.453 1.00 3.96 H new ATOM 2158 N GLN A 143 1.566 -10.800 5.253 1.00 6.26 N ATOM 2159 CA GLN A 143 1.357 -9.794 6.301 1.00 7.42 C ATOM 2160 C GLN A 143 2.449 -8.717 6.250 1.00 7.74 C ATOM 2161 O GLN A 143 2.215 -7.574 6.656 1.00 8.48 O ATOM 2162 CB GLN A 143 1.321 -10.440 7.688 1.00 8.47 C ATOM 2163 CG GLN A 143 0.418 -9.721 8.682 1.00 9.24 C ATOM 2164 CD GLN A 143 0.411 -10.380 10.047 1.00 10.23 C ATOM 2165 OE1 GLN A 143 1.218 -10.045 10.915 1.00 10.70 O ATOM 2166 NE2 GLN A 143 -0.503 -11.322 10.244 1.00 10.74 N ATOM 0 H GLN A 143 1.670 -11.754 5.600 1.00 6.26 H new ATOM 0 HA GLN A 143 0.392 -9.322 6.116 1.00 7.42 H new ATOM 0 HB2 GLN A 143 0.985 -11.472 7.588 1.00 8.47 H new ATOM 0 HB3 GLN A 143 2.334 -10.471 8.089 1.00 8.47 H new ATOM 0 HG2 GLN A 143 0.747 -8.687 8.784 1.00 9.24 H new ATOM 0 HG3 GLN A 143 -0.599 -9.695 8.290 1.00 9.24 H new ATOM 0 HE21 GLN A 143 -1.152 -11.567 9.496 1.00 10.74 H new ATOM 0 HE22 GLN A 143 -0.557 -11.800 11.143 1.00 10.74 H new ATOM 2175 N MET A 144 3.636 -9.096 5.749 1.00 7.32 N ATOM 2176 CA MET A 144 4.745 -8.156 5.621 1.00 7.88 C ATOM 2177 C MET A 144 4.713 -7.393 4.307 1.00 7.37 C ATOM 2178 O MET A 144 5.499 -6.465 4.085 1.00 8.01 O ATOM 2179 CB MET A 144 6.098 -8.844 5.833 1.00 8.04 C ATOM 2180 CG MET A 144 7.040 -8.098 6.776 1.00 9.33 C ATOM 2181 SD MET A 144 7.407 -6.401 6.258 1.00 9.76 S ATOM 2182 CE MET A 144 8.553 -6.660 4.900 1.00 9.64 C ATOM 0 H MET A 144 3.845 -10.042 5.430 1.00 7.32 H new ATOM 0 HA MET A 144 4.618 -7.421 6.416 1.00 7.88 H new ATOM 0 HB2 MET A 144 5.926 -9.845 6.227 1.00 8.04 H new ATOM 0 HB3 MET A 144 6.588 -8.962 4.867 1.00 8.04 H new ATOM 0 HG2 MET A 144 6.598 -8.076 7.772 1.00 9.33 H new ATOM 0 HG3 MET A 144 7.975 -8.654 6.854 1.00 9.33 H new ATOM 0 HE1 MET A 144 9.427 -6.023 5.035 1.00 9.64 H new ATOM 0 HE2 MET A 144 8.865 -7.704 4.881 1.00 9.64 H new ATOM 0 HE3 MET A 144 8.064 -6.411 3.958 1.00 9.64 H new ATOM 2192 N MET A 145 3.794 -7.795 3.458 1.00 6.37 N ATOM 2193 CA MET A 145 3.574 -7.121 2.174 1.00 5.88 C ATOM 2194 C MET A 145 2.402 -6.155 2.342 1.00 6.25 C ATOM 2195 O MET A 145 2.211 -5.225 1.553 1.00 6.33 O ATOM 2196 CB MET A 145 3.390 -8.089 0.982 1.00 4.66 C ATOM 2197 CG MET A 145 2.087 -8.860 0.949 1.00 3.68 C ATOM 2198 SD MET A 145 0.705 -7.915 0.265 1.00 3.52 S ATOM 2199 CE MET A 145 1.018 -8.037 -1.495 1.00 3.45 C ATOM 0 H MET A 145 3.177 -8.590 3.625 1.00 6.37 H new ATOM 0 HA MET A 145 4.475 -6.566 1.911 1.00 5.88 H new ATOM 0 HB2 MET A 145 3.474 -7.517 0.058 1.00 4.66 H new ATOM 0 HB3 MET A 145 4.212 -8.804 0.990 1.00 4.66 H new ATOM 0 HG2 MET A 145 2.225 -9.766 0.358 1.00 3.68 H new ATOM 0 HG3 MET A 145 1.835 -9.175 1.962 1.00 3.68 H new ATOM 0 HE1 MET A 145 0.080 -7.932 -2.040 1.00 3.45 H new ATOM 0 HE2 MET A 145 1.704 -7.246 -1.798 1.00 3.45 H new ATOM 0 HE3 MET A 145 1.461 -9.007 -1.719 1.00 3.45 H new ATOM 2209 N THR A 146 1.629 -6.421 3.404 1.00 6.65 N ATOM 2210 CA THR A 146 0.486 -5.611 3.794 1.00 7.20 C ATOM 2211 C THR A 146 0.942 -4.564 4.824 1.00 8.45 C ATOM 2212 O THR A 146 0.335 -3.496 4.941 1.00 8.99 O ATOM 2213 CB THR A 146 -0.639 -6.488 4.403 1.00 7.31 C ATOM 2214 OG1 THR A 146 -0.755 -7.716 3.672 1.00 6.44 O ATOM 2215 CG2 THR A 146 -1.987 -5.771 4.383 1.00 7.72 C ATOM 0 H THR A 146 1.790 -7.218 4.020 1.00 6.65 H new ATOM 0 HA THR A 146 0.087 -5.118 2.907 1.00 7.20 H new ATOM 0 HB THR A 146 -0.369 -6.690 5.440 1.00 7.31 H new ATOM 0 HG1 THR A 146 -0.005 -8.304 3.899 1.00 6.44 H new ATOM 0 HG21 THR A 146 -2.749 -6.417 4.818 1.00 7.72 H new ATOM 0 HG22 THR A 146 -1.918 -4.850 4.963 1.00 7.72 H new ATOM 0 HG23 THR A 146 -2.257 -5.533 3.354 1.00 7.72 H new ATOM 2223 N ALA A 147 2.021 -4.893 5.565 1.00 8.92 N ATOM 2224 CA ALA A 147 2.579 -3.994 6.576 1.00 10.15 C ATOM 2225 C ALA A 147 3.758 -3.211 6.033 1.00 10.43 C ATOM 2226 O ALA A 147 4.025 -2.088 6.468 1.00 11.37 O ATOM 2227 CB ALA A 147 2.991 -4.778 7.808 1.00 10.68 C ATOM 0 H ALA A 147 2.518 -5.779 5.475 1.00 8.92 H new ATOM 0 HA ALA A 147 1.803 -3.280 6.851 1.00 10.15 H new ATOM 0 HB1 ALA A 147 3.404 -4.097 8.552 1.00 10.68 H new ATOM 0 HB2 ALA A 147 2.121 -5.285 8.225 1.00 10.68 H new ATOM 0 HB3 ALA A 147 3.744 -5.516 7.534 1.00 10.68 H new ATOM 2233 N LYS A 148 4.458 -3.822 5.071 1.00 9.72 N ATOM 2234 CA LYS A 148 5.631 -3.232 4.409 1.00 10.13 C ATOM 2235 C LYS A 148 6.795 -3.009 5.384 1.00 9.70 C ATOM 2236 O LYS A 148 7.835 -3.681 5.223 1.00 9.60 O ATOM 2237 CB LYS A 148 5.288 -1.915 3.665 1.00 10.60 C ATOM 2238 CG LYS A 148 4.197 -2.044 2.598 1.00 11.38 C ATOM 2239 CD LYS A 148 4.693 -2.759 1.346 1.00 11.36 C ATOM 2240 CE LYS A 148 3.631 -2.779 0.258 1.00 12.34 C ATOM 2241 NZ LYS A 148 4.110 -3.467 -0.972 1.00 12.59 N ATOM 2242 OXT LYS A 148 6.652 -2.172 6.303 1.00 9.69 O ATOM 0 H LYS A 148 4.224 -4.752 4.724 1.00 9.72 H new ATOM 0 HA LYS A 148 5.951 -3.961 3.664 1.00 10.13 H new ATOM 0 HB2 LYS A 148 4.973 -1.172 4.398 1.00 10.60 H new ATOM 0 HB3 LYS A 148 6.194 -1.534 3.194 1.00 10.60 H new ATOM 0 HG2 LYS A 148 3.349 -2.589 3.013 1.00 11.38 H new ATOM 0 HG3 LYS A 148 3.837 -1.051 2.328 1.00 11.38 H new ATOM 0 HD2 LYS A 148 5.588 -2.262 0.973 1.00 11.36 H new ATOM 0 HD3 LYS A 148 4.977 -3.781 1.598 1.00 11.36 H new ATOM 0 HE2 LYS A 148 2.739 -3.281 0.631 1.00 12.34 H new ATOM 0 HE3 LYS A 148 3.343 -1.757 0.013 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 3.357 -3.459 -1.690 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 4.947 -2.973 -1.343 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 4.361 -4.450 -0.744 1.00 12.59 H new