USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 756 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 Single : A 5 LYS NZ :NH3+ -168:sc= 0.966 (180deg=0.661) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= 2.2 USER MOD Single : A 18 SER OG : rot 65:sc= 0.333 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 32 SER OG : rot 119:sc= 1.31 USER MOD Single : A 34 ASN : amide:sc= 1.07 K(o=1.1,f=-0.047) USER MOD Single : A 37 MET CE :methyl -171:sc= -0.689 (180deg=-1.06) USER MOD Single : A 39 CYS SG : rot 72:sc= 0.484 USER MOD Single : A 41 SER OG : rot 81:sc= 1.12 USER MOD Single : A 52 SER OG : rot 180:sc= 0.013 USER MOD Single : B 5 LYS NZ :NH3+ -163:sc= 1.05 (180deg=0.631) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 74:sc= 2.29 USER MOD Single : B 18 SER OG : rot 65:sc= 0.293 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= -0.0302 USER MOD Single : B 32 SER OG : rot 118:sc= 1.28 USER MOD Single : B 34 ASN : amide:sc= 1.08 K(o=1.1,f=-0.047) USER MOD Single : B 37 MET CE :methyl -170:sc= -0.714 (180deg=-1.07) USER MOD Single : B 39 CYS SG : rot 72:sc= 0.498 USER MOD Single : B 41 SER OG : rot 80:sc= 1.11 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0141 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.215 10.195 3.405 1.00 0.41 N ATOM 75 CA LYS A 5 -1.030 9.354 3.265 1.00 0.36 C ATOM 76 C LYS A 5 -0.767 8.514 4.520 1.00 0.27 C ATOM 77 O LYS A 5 -0.410 7.341 4.415 1.00 0.25 O ATOM 78 CB LYS A 5 0.182 10.223 2.918 1.00 0.42 C ATOM 79 CG LYS A 5 0.282 11.501 3.740 1.00 0.41 C ATOM 80 CD LYS A 5 1.329 12.447 3.175 1.00 0.53 C ATOM 81 CE LYS A 5 1.234 13.830 3.803 1.00 0.73 C ATOM 82 NZ LYS A 5 -0.086 14.476 3.554 1.00 1.14 N ATOM 0 HA LYS A 5 -1.209 8.650 2.452 1.00 0.36 H new ATOM 0 HB2 LYS A 5 1.090 9.637 3.063 1.00 0.42 H new ATOM 0 HB3 LYS A 5 0.138 10.485 1.861 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.687 11.999 3.759 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.533 11.253 4.771 1.00 0.41 H new ATOM 0 HD2 LYS A 5 2.323 12.036 3.349 1.00 0.53 H new ATOM 0 HD3 LYS A 5 1.202 12.528 2.095 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.400 13.751 4.877 1.00 0.73 H new ATOM 0 HE3 LYS A 5 2.027 14.463 3.404 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 -0.036 15.481 3.818 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.328 14.395 2.546 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -0.817 14.004 4.124 1.00 1.14 H new ATOM 96 N GLU A 6 -0.991 9.101 5.694 1.00 0.30 N ATOM 97 CA GLU A 6 -0.790 8.399 6.967 1.00 0.36 C ATOM 98 C GLU A 6 -1.658 7.144 7.042 1.00 0.38 C ATOM 99 O GLU A 6 -1.164 6.039 7.273 1.00 0.41 O ATOM 100 CB GLU A 6 -1.146 9.309 8.146 1.00 0.49 C ATOM 101 CG GLU A 6 -0.149 10.421 8.425 1.00 0.99 C ATOM 102 CD GLU A 6 1.182 9.910 8.931 1.00 1.46 C ATOM 103 OE1 GLU A 6 1.281 9.599 10.138 1.00 2.00 O ATOM 104 OE2 GLU A 6 2.134 9.834 8.135 1.00 2.11 O ATOM 0 H GLU A 6 -1.313 10.064 5.794 1.00 0.30 H new ATOM 0 HA GLU A 6 0.262 8.117 7.021 1.00 0.36 H new ATOM 0 HB2 GLU A 6 -2.122 9.756 7.958 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.243 8.696 9.042 1.00 0.49 H new ATOM 0 HG2 GLU A 6 0.012 10.994 7.512 1.00 0.99 H new ATOM 0 HG3 GLU A 6 -0.573 11.105 9.161 1.00 0.99 H new ATOM 111 N GLU A 7 -2.955 7.339 6.836 1.00 0.41 N ATOM 112 CA GLU A 7 -3.939 6.270 6.962 1.00 0.48 C ATOM 113 C GLU A 7 -3.662 5.153 5.965 1.00 0.40 C ATOM 114 O GLU A 7 -3.714 3.968 6.307 1.00 0.40 O ATOM 115 CB GLU A 7 -5.340 6.840 6.739 1.00 0.61 C ATOM 116 CG GLU A 7 -5.671 8.001 7.666 1.00 0.75 C ATOM 117 CD GLU A 7 -6.907 8.762 7.234 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.921 9.272 6.099 1.00 1.68 O ATOM 119 OE2 GLU A 7 -7.865 8.859 8.027 1.00 1.25 O ATOM 0 H GLU A 7 -3.354 8.241 6.577 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.871 5.849 7.965 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.429 7.173 5.705 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -6.075 6.048 6.883 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.818 7.622 8.677 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.823 8.685 7.702 1.00 0.75 H new ATOM 126 N ILE A 8 -3.353 5.539 4.737 1.00 0.37 N ATOM 127 CA ILE A 8 -3.080 4.577 3.684 1.00 0.36 C ATOM 128 C ILE A 8 -1.798 3.805 3.979 1.00 0.27 C ATOM 129 O ILE A 8 -1.790 2.576 3.934 1.00 0.25 O ATOM 130 CB ILE A 8 -2.970 5.260 2.303 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.243 6.057 1.994 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.717 4.228 1.213 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.496 5.208 1.923 1.00 0.96 C ATOM 0 H ILE A 8 -3.285 6.514 4.446 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.920 3.883 3.656 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.126 5.949 2.330 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.376 6.821 2.760 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.113 6.576 1.045 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.643 4.729 0.248 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.786 3.700 1.421 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.541 3.515 1.189 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.354 5.843 1.701 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -5.385 4.460 1.138 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.652 4.709 2.879 1.00 0.96 H new ATOM 145 N ALA A 9 -0.726 4.529 4.302 1.00 0.25 N ATOM 146 CA ALA A 9 0.564 3.910 4.601 1.00 0.20 C ATOM 147 C ALA A 9 0.442 2.893 5.731 1.00 0.19 C ATOM 148 O ALA A 9 1.090 1.845 5.705 1.00 0.16 O ATOM 149 CB ALA A 9 1.593 4.971 4.955 1.00 0.21 C ATOM 0 H ALA A 9 -0.727 5.547 4.363 1.00 0.25 H new ATOM 0 HA ALA A 9 0.896 3.382 3.707 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.548 4.493 5.175 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.714 5.655 4.115 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.256 5.527 5.830 1.00 0.21 H new ATOM 155 N ALA A 10 -0.395 3.209 6.714 1.00 0.24 N ATOM 156 CA ALA A 10 -0.649 2.303 7.826 1.00 0.25 C ATOM 157 C ALA A 10 -1.205 0.973 7.327 1.00 0.24 C ATOM 158 O ALA A 10 -0.690 -0.092 7.664 1.00 0.22 O ATOM 159 CB ALA A 10 -1.611 2.942 8.815 1.00 0.33 C ATOM 0 H ALA A 10 -0.910 4.088 6.762 1.00 0.24 H new ATOM 0 HA ALA A 10 0.297 2.107 8.332 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.793 2.255 9.641 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -1.178 3.865 9.199 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.553 3.164 8.314 1.00 0.33 H new ATOM 165 N LEU A 11 -2.244 1.043 6.507 1.00 0.27 N ATOM 166 CA LEU A 11 -2.855 -0.155 5.940 1.00 0.30 C ATOM 167 C LEU A 11 -1.844 -0.877 5.050 1.00 0.26 C ATOM 168 O LEU A 11 -1.766 -2.104 5.048 1.00 0.29 O ATOM 169 CB LEU A 11 -4.116 0.243 5.144 1.00 0.38 C ATOM 170 CG LEU A 11 -5.084 -0.889 4.747 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.539 -1.715 3.590 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.386 -1.783 5.940 1.00 0.63 C ATOM 0 H LEU A 11 -2.683 1.917 6.218 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.151 -0.836 6.738 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.672 0.972 5.734 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.795 0.748 4.233 1.00 0.38 H new ATOM 0 HG LEU A 11 -6.012 -0.423 4.415 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.249 -2.503 3.339 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.389 -1.072 2.723 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.588 -2.162 3.879 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.071 -2.575 5.637 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.460 -2.225 6.307 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.844 -1.190 6.732 1.00 0.63 H new ATOM 184 N ILE A 12 -1.057 -0.097 4.320 1.00 0.21 N ATOM 185 CA ILE A 12 -0.053 -0.630 3.408 1.00 0.20 C ATOM 186 C ILE A 12 0.970 -1.506 4.131 1.00 0.18 C ATOM 187 O ILE A 12 1.138 -2.681 3.792 1.00 0.20 O ATOM 188 CB ILE A 12 0.665 0.513 2.658 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.304 1.174 1.674 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.906 0.004 1.938 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.279 2.354 0.932 1.00 0.25 C ATOM 0 H ILE A 12 -1.097 0.922 4.343 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.577 -1.257 2.687 1.00 0.20 H new ATOM 0 HB ILE A 12 0.992 1.256 3.386 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.633 0.429 0.949 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.190 1.502 2.218 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.390 0.831 1.419 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.598 -0.424 2.664 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.620 -0.760 1.215 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.471 2.765 0.256 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.582 3.120 1.646 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.147 2.030 0.358 1.00 0.25 H new ATOM 203 N VAL A 13 1.645 -0.949 5.133 1.00 0.16 N ATOM 204 CA VAL A 13 2.663 -1.701 5.857 1.00 0.16 C ATOM 205 C VAL A 13 2.032 -2.841 6.652 1.00 0.16 C ATOM 206 O VAL A 13 2.633 -3.903 6.815 1.00 0.18 O ATOM 207 CB VAL A 13 3.510 -0.807 6.793 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.298 0.213 5.985 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.644 -0.108 7.828 1.00 0.14 C ATOM 0 H VAL A 13 1.508 0.008 5.458 1.00 0.16 H new ATOM 0 HA VAL A 13 3.336 -2.115 5.106 1.00 0.16 H new ATOM 0 HB VAL A 13 4.210 -1.452 7.324 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.888 0.834 6.659 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.962 -0.305 5.294 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.609 0.843 5.422 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.271 0.512 8.469 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.909 0.519 7.324 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.130 -0.853 8.435 1.00 0.14 H new ATOM 219 N ASN A 14 0.815 -2.617 7.136 1.00 0.18 N ATOM 220 CA ASN A 14 0.058 -3.655 7.830 1.00 0.21 C ATOM 221 C ASN A 14 -0.192 -4.842 6.902 1.00 0.19 C ATOM 222 O ASN A 14 -0.045 -5.999 7.296 1.00 0.20 O ATOM 223 CB ASN A 14 -1.278 -3.096 8.336 1.00 0.30 C ATOM 224 CG ASN A 14 -2.112 -4.127 9.077 1.00 0.42 C ATOM 225 OD1 ASN A 14 -1.581 -5.024 9.731 1.00 0.45 O ATOM 226 ND2 ASN A 14 -3.427 -4.009 8.978 1.00 0.57 N ATOM 0 H ASN A 14 0.330 -1.723 7.061 1.00 0.18 H new ATOM 0 HA ASN A 14 0.644 -3.993 8.685 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -1.085 -2.251 8.997 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.850 -2.715 7.490 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -4.036 -4.675 9.453 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.831 -3.252 8.427 1.00 0.57 H new ATOM 233 N TYR A 15 -0.542 -4.542 5.656 1.00 0.22 N ATOM 234 CA TYR A 15 -0.863 -5.581 4.688 1.00 0.24 C ATOM 235 C TYR A 15 0.371 -6.412 4.346 1.00 0.22 C ATOM 236 O TYR A 15 0.304 -7.640 4.303 1.00 0.23 O ATOM 237 CB TYR A 15 -1.469 -4.987 3.414 1.00 0.30 C ATOM 238 CG TYR A 15 -2.074 -6.038 2.509 1.00 0.39 C ATOM 239 CD1 TYR A 15 -3.355 -6.522 2.744 1.00 1.30 C ATOM 240 CD2 TYR A 15 -1.365 -6.559 1.433 1.00 1.19 C ATOM 241 CE1 TYR A 15 -3.912 -7.493 1.935 1.00 1.40 C ATOM 242 CE2 TYR A 15 -1.915 -7.532 0.621 1.00 1.21 C ATOM 243 CZ TYR A 15 -3.189 -7.994 0.876 1.00 0.65 C ATOM 244 OH TYR A 15 -3.739 -8.967 0.072 1.00 0.80 O ATOM 0 H TYR A 15 -0.610 -3.591 5.295 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.605 -6.234 5.147 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -2.236 -4.262 3.686 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.697 -4.445 2.868 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.925 -6.132 3.574 1.00 1.30 H new ATOM 0 HD2 TYR A 15 -0.368 -6.197 1.228 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -4.909 -7.857 2.132 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -1.350 -7.929 -0.209 1.00 1.21 H new ATOM 0 HH TYR A 15 -3.100 -9.211 -0.630 1.00 0.80 H new ATOM 254 N PHE A 16 1.502 -5.748 4.114 1.00 0.20 N ATOM 255 CA PHE A 16 2.741 -6.461 3.812 1.00 0.21 C ATOM 256 C PHE A 16 3.182 -7.295 5.006 1.00 0.20 C ATOM 257 O PHE A 16 3.736 -8.383 4.841 1.00 0.20 O ATOM 258 CB PHE A 16 3.863 -5.503 3.407 1.00 0.20 C ATOM 259 CG PHE A 16 3.678 -4.855 2.061 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.344 -5.611 0.946 1.00 0.91 C ATOM 261 CD2 PHE A 16 3.856 -3.487 1.907 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.188 -5.015 -0.290 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.700 -2.891 0.674 1.00 1.05 C ATOM 264 CZ PHE A 16 3.368 -3.655 -0.426 1.00 0.23 C ATOM 0 H PHE A 16 1.586 -4.732 4.129 1.00 0.20 H new ATOM 0 HA PHE A 16 2.537 -7.119 2.967 1.00 0.21 H new ATOM 0 HB2 PHE A 16 3.947 -4.722 4.163 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.806 -6.049 3.406 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.205 -6.677 1.046 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.120 -2.883 2.763 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.925 -5.614 -1.149 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.838 -1.825 0.569 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.249 -3.188 -1.393 1.00 0.23 H new ATOM 274 N SER A 17 2.925 -6.787 6.207 1.00 0.19 N ATOM 275 CA SER A 17 3.226 -7.525 7.425 1.00 0.20 C ATOM 276 C SER A 17 2.412 -8.815 7.479 1.00 0.21 C ATOM 277 O SER A 17 2.886 -9.837 7.969 1.00 0.24 O ATOM 278 CB SER A 17 2.951 -6.658 8.657 1.00 0.21 C ATOM 279 OG SER A 17 3.751 -5.482 8.640 1.00 0.90 O ATOM 0 H SER A 17 2.510 -5.868 6.361 1.00 0.19 H new ATOM 0 HA SER A 17 4.284 -7.787 7.421 1.00 0.20 H new ATOM 0 HB2 SER A 17 1.896 -6.385 8.686 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.157 -7.230 9.562 1.00 0.21 H new ATOM 0 HG SER A 17 3.241 -4.745 8.243 1.00 0.90 H new ATOM 285 N SER A 18 1.197 -8.769 6.947 1.00 0.24 N ATOM 286 CA SER A 18 0.358 -9.952 6.854 1.00 0.25 C ATOM 287 C SER A 18 0.896 -10.905 5.784 1.00 0.25 C ATOM 288 O SER A 18 0.917 -12.119 5.976 1.00 0.29 O ATOM 289 CB SER A 18 -1.081 -9.552 6.524 1.00 0.26 C ATOM 290 OG SER A 18 -1.594 -8.638 7.481 1.00 0.84 O ATOM 0 H SER A 18 0.772 -7.921 6.573 1.00 0.24 H new ATOM 0 HA SER A 18 0.372 -10.464 7.816 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.117 -9.102 5.532 1.00 0.26 H new ATOM 0 HB3 SER A 18 -1.710 -10.442 6.494 1.00 0.26 H new ATOM 0 HG SER A 18 -1.089 -7.799 7.436 1.00 0.84 H new ATOM 296 N ILE A 19 1.341 -10.339 4.664 1.00 0.23 N ATOM 297 CA ILE A 19 1.856 -11.129 3.547 1.00 0.24 C ATOM 298 C ILE A 19 3.064 -11.962 3.967 1.00 0.25 C ATOM 299 O ILE A 19 3.107 -13.170 3.731 1.00 0.28 O ATOM 300 CB ILE A 19 2.245 -10.230 2.344 1.00 0.24 C ATOM 301 CG1 ILE A 19 1.004 -9.531 1.777 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.947 -11.033 1.251 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.068 -10.485 1.287 1.00 0.28 C ATOM 0 H ILE A 19 1.355 -9.331 4.505 1.00 0.23 H new ATOM 0 HA ILE A 19 1.052 -11.798 3.240 1.00 0.24 H new ATOM 0 HB ILE A 19 2.943 -9.475 2.705 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.579 -8.886 2.546 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.307 -8.886 0.952 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.206 -10.372 0.423 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.855 -11.481 1.655 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.282 -11.819 0.893 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.913 -9.915 0.901 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.339 -11.113 0.494 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.401 -11.113 2.113 1.00 0.28 H new ATOM 315 N VAL A 20 4.036 -11.319 4.602 1.00 0.25 N ATOM 316 CA VAL A 20 5.248 -12.009 5.018 1.00 0.28 C ATOM 317 C VAL A 20 4.963 -12.968 6.175 1.00 0.33 C ATOM 318 O VAL A 20 5.565 -14.036 6.267 1.00 0.34 O ATOM 319 CB VAL A 20 6.367 -11.016 5.411 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.735 -10.135 4.228 1.00 0.26 C ATOM 321 CG2 VAL A 20 5.962 -10.160 6.604 1.00 0.30 C ATOM 0 H VAL A 20 4.009 -10.327 4.838 1.00 0.25 H new ATOM 0 HA VAL A 20 5.597 -12.587 4.162 1.00 0.28 H new ATOM 0 HB VAL A 20 7.240 -11.600 5.702 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.524 -9.442 4.522 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.087 -10.758 3.406 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.859 -9.572 3.907 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.772 -9.474 6.852 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.067 -9.589 6.355 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.756 -10.803 7.460 1.00 0.30 H new ATOM 331 N GLU A 21 4.026 -12.586 7.037 1.00 0.39 N ATOM 332 CA GLU A 21 3.633 -13.413 8.173 1.00 0.49 C ATOM 333 C GLU A 21 3.019 -14.733 7.712 1.00 0.48 C ATOM 334 O GLU A 21 3.326 -15.796 8.256 1.00 0.51 O ATOM 335 CB GLU A 21 2.645 -12.643 9.051 1.00 0.59 C ATOM 336 CG GLU A 21 2.217 -13.381 10.308 1.00 1.23 C ATOM 337 CD GLU A 21 1.394 -12.505 11.227 1.00 1.83 C ATOM 338 OE1 GLU A 21 0.154 -12.469 11.076 1.00 2.39 O ATOM 339 OE2 GLU A 21 1.985 -11.838 12.100 1.00 2.49 O ATOM 0 H GLU A 21 3.521 -11.702 6.969 1.00 0.39 H new ATOM 0 HA GLU A 21 4.525 -13.649 8.753 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.096 -11.693 9.338 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.758 -12.410 8.461 1.00 0.59 H new ATOM 0 HG2 GLU A 21 1.637 -14.262 10.032 1.00 1.23 H new ATOM 0 HG3 GLU A 21 3.101 -13.735 10.839 1.00 1.23 H new ATOM 346 N LYS A 22 2.165 -14.668 6.697 1.00 0.46 N ATOM 347 CA LYS A 22 1.508 -15.865 6.181 1.00 0.49 C ATOM 348 C LYS A 22 2.379 -16.559 5.143 1.00 0.42 C ATOM 349 O LYS A 22 2.000 -17.593 4.591 1.00 0.44 O ATOM 350 CB LYS A 22 0.156 -15.511 5.561 1.00 0.57 C ATOM 351 CG LYS A 22 -0.751 -14.726 6.488 1.00 0.67 C ATOM 352 CD LYS A 22 -2.094 -14.436 5.843 1.00 0.80 C ATOM 353 CE LYS A 22 -2.910 -13.481 6.693 1.00 0.72 C ATOM 354 NZ LYS A 22 -4.305 -13.337 6.200 1.00 1.42 N ATOM 0 H LYS A 22 1.912 -13.805 6.217 1.00 0.46 H new ATOM 0 HA LYS A 22 1.351 -16.545 7.018 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.323 -14.931 4.653 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.350 -16.430 5.264 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.903 -15.287 7.410 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.268 -13.788 6.762 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.941 -14.007 4.853 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.644 -15.367 5.706 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.926 -13.838 7.723 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -2.428 -12.504 6.702 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -4.823 -12.675 6.812 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -4.293 -12.971 5.227 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -4.776 -14.264 6.216 1.00 1.42 H new ATOM 368 N LYS A 23 3.540 -15.961 4.875 1.00 0.36 N ATOM 369 CA LYS A 23 4.503 -16.496 3.917 1.00 0.32 C ATOM 370 C LYS A 23 3.895 -16.557 2.520 1.00 0.36 C ATOM 371 O LYS A 23 4.096 -17.514 1.772 1.00 0.41 O ATOM 372 CB LYS A 23 5.004 -17.872 4.365 1.00 0.36 C ATOM 373 CG LYS A 23 5.773 -17.828 5.676 1.00 0.42 C ATOM 374 CD LYS A 23 6.139 -19.218 6.160 1.00 0.57 C ATOM 375 CE LYS A 23 6.897 -19.167 7.475 1.00 1.21 C ATOM 376 NZ LYS A 23 7.154 -20.525 8.021 1.00 1.79 N ATOM 0 H LYS A 23 3.838 -15.091 5.317 1.00 0.36 H new ATOM 0 HA LYS A 23 5.361 -15.825 3.879 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.153 -18.545 4.472 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.645 -18.289 3.588 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.680 -17.238 5.546 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.172 -17.326 6.434 1.00 0.42 H new ATOM 0 HD2 LYS A 23 5.233 -19.812 6.284 1.00 0.57 H new ATOM 0 HD3 LYS A 23 6.748 -19.718 5.407 1.00 0.57 H new ATOM 0 HE2 LYS A 23 7.845 -18.650 7.327 1.00 1.21 H new ATOM 0 HE3 LYS A 23 6.327 -18.586 8.200 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 7.673 -20.446 8.919 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 6.249 -21.010 8.186 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 7.720 -21.071 7.341 1.00 1.79 H new ATOM 390 N GLU A 24 3.150 -15.510 2.182 1.00 0.37 N ATOM 391 CA GLU A 24 2.523 -15.381 0.872 1.00 0.46 C ATOM 392 C GLU A 24 3.553 -15.069 -0.202 1.00 0.40 C ATOM 393 O GLU A 24 3.274 -15.178 -1.393 1.00 0.43 O ATOM 394 CB GLU A 24 1.469 -14.275 0.907 1.00 0.57 C ATOM 395 CG GLU A 24 0.086 -14.758 1.291 1.00 0.84 C ATOM 396 CD GLU A 24 -0.522 -15.629 0.217 1.00 1.08 C ATOM 397 OE1 GLU A 24 -0.908 -15.088 -0.840 1.00 1.83 O ATOM 398 OE2 GLU A 24 -0.612 -16.857 0.421 1.00 1.65 O ATOM 0 H GLU A 24 2.964 -14.727 2.809 1.00 0.37 H new ATOM 0 HA GLU A 24 2.050 -16.332 0.629 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.785 -13.508 1.614 1.00 0.57 H new ATOM 0 HB3 GLU A 24 1.419 -13.803 -0.074 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.143 -15.318 2.224 1.00 0.84 H new ATOM 0 HG3 GLU A 24 -0.561 -13.900 1.473 1.00 0.84 H new ATOM 405 N ILE A 25 4.741 -14.679 0.225 1.00 0.36 N ATOM 406 CA ILE A 25 5.792 -14.306 -0.699 1.00 0.33 C ATOM 407 C ILE A 25 7.102 -14.985 -0.296 1.00 0.33 C ATOM 408 O ILE A 25 7.354 -15.210 0.891 1.00 0.34 O ATOM 409 CB ILE A 25 5.960 -12.766 -0.741 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.868 -12.357 -1.907 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.512 -12.248 0.580 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.966 -10.862 -2.109 1.00 0.28 C ATOM 0 H ILE A 25 5.000 -14.613 1.209 1.00 0.36 H new ATOM 0 HA ILE A 25 5.518 -14.640 -1.700 1.00 0.33 H new ATOM 0 HB ILE A 25 4.979 -12.318 -0.897 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.867 -12.757 -1.735 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.495 -12.814 -2.823 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.622 -11.165 0.529 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.826 -12.505 1.387 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.484 -12.703 0.772 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.625 -10.651 -2.951 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.975 -10.457 -2.314 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.368 -10.399 -1.208 1.00 0.28 H new ATOM 424 N SER A 26 7.905 -15.345 -1.294 1.00 0.35 N ATOM 425 CA SER A 26 9.170 -16.035 -1.069 1.00 0.38 C ATOM 426 C SER A 26 10.144 -15.181 -0.257 1.00 0.34 C ATOM 427 O SER A 26 9.965 -13.966 -0.143 1.00 0.31 O ATOM 428 CB SER A 26 9.798 -16.428 -2.410 1.00 0.46 C ATOM 429 OG SER A 26 10.938 -17.249 -2.226 1.00 1.45 O ATOM 0 H SER A 26 7.698 -15.167 -2.277 1.00 0.35 H new ATOM 0 HA SER A 26 8.961 -16.935 -0.490 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.062 -16.955 -3.017 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.080 -15.529 -2.959 1.00 0.46 H new ATOM 0 HG SER A 26 11.316 -17.485 -3.099 1.00 1.45 H new ATOM 435 N GLU A 27 11.175 -15.822 0.284 1.00 0.40 N ATOM 436 CA GLU A 27 12.093 -15.187 1.233 1.00 0.45 C ATOM 437 C GLU A 27 12.666 -13.875 0.702 1.00 0.40 C ATOM 438 O GLU A 27 12.643 -12.857 1.400 1.00 0.44 O ATOM 439 CB GLU A 27 13.241 -16.134 1.574 1.00 0.69 C ATOM 440 CG GLU A 27 12.791 -17.492 2.081 1.00 0.75 C ATOM 441 CD GLU A 27 13.950 -18.335 2.568 1.00 1.21 C ATOM 442 OE1 GLU A 27 14.738 -18.822 1.728 1.00 1.71 O ATOM 443 OE2 GLU A 27 14.089 -18.505 3.797 1.00 1.87 O ATOM 0 H GLU A 27 11.401 -16.795 0.079 1.00 0.40 H new ATOM 0 HA GLU A 27 11.513 -14.962 2.128 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.858 -16.275 0.686 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.872 -15.666 2.330 1.00 0.69 H new ATOM 0 HG2 GLU A 27 12.077 -17.356 2.893 1.00 0.75 H new ATOM 0 HG3 GLU A 27 12.270 -18.021 1.283 1.00 0.75 H new ATOM 450 N ASP A 28 13.161 -13.898 -0.534 1.00 0.39 N ATOM 451 CA ASP A 28 13.801 -12.722 -1.126 1.00 0.39 C ATOM 452 C ASP A 28 12.802 -11.580 -1.233 1.00 0.35 C ATOM 453 O ASP A 28 13.100 -10.439 -0.877 1.00 0.38 O ATOM 454 CB ASP A 28 14.364 -13.055 -2.512 1.00 0.46 C ATOM 455 CG ASP A 28 15.216 -11.936 -3.086 1.00 1.01 C ATOM 456 OD1 ASP A 28 14.656 -10.985 -3.672 1.00 1.63 O ATOM 457 OD2 ASP A 28 16.457 -12.006 -2.961 1.00 1.85 O ATOM 0 H ASP A 28 13.132 -14.715 -1.144 1.00 0.39 H new ATOM 0 HA ASP A 28 14.624 -12.416 -0.480 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.962 -13.964 -2.447 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.539 -13.264 -3.194 1.00 0.46 H new ATOM 462 N GLY A 29 11.607 -11.905 -1.711 1.00 0.31 N ATOM 463 CA GLY A 29 10.549 -10.924 -1.797 1.00 0.30 C ATOM 464 C GLY A 29 10.127 -10.425 -0.431 1.00 0.26 C ATOM 465 O GLY A 29 9.917 -9.228 -0.241 1.00 0.24 O ATOM 0 H GLY A 29 11.354 -12.836 -2.041 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.883 -10.082 -2.403 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.689 -11.361 -2.305 1.00 0.30 H new ATOM 469 N ALA A 30 9.997 -11.344 0.523 1.00 0.24 N ATOM 470 CA ALA A 30 9.648 -10.994 1.894 1.00 0.23 C ATOM 471 C ALA A 30 10.633 -9.994 2.479 1.00 0.22 C ATOM 472 O ALA A 30 10.231 -8.984 3.053 1.00 0.21 O ATOM 473 CB ALA A 30 9.590 -12.245 2.761 1.00 0.24 C ATOM 0 H ALA A 30 10.130 -12.343 0.368 1.00 0.24 H new ATOM 0 HA ALA A 30 8.664 -10.526 1.879 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.328 -11.968 3.782 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.837 -12.927 2.366 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.563 -12.736 2.756 1.00 0.24 H new ATOM 479 N ASP A 31 11.922 -10.274 2.330 1.00 0.24 N ATOM 480 CA ASP A 31 12.960 -9.371 2.823 1.00 0.25 C ATOM 481 C ASP A 31 12.868 -8.021 2.124 1.00 0.23 C ATOM 482 O ASP A 31 13.043 -6.972 2.747 1.00 0.22 O ATOM 483 CB ASP A 31 14.349 -9.975 2.616 1.00 0.30 C ATOM 484 CG ASP A 31 15.453 -9.057 3.104 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.649 -8.960 4.335 1.00 1.46 O ATOM 486 OD2 ASP A 31 16.125 -8.429 2.261 1.00 1.34 O ATOM 0 H ASP A 31 12.275 -11.115 1.874 1.00 0.24 H new ATOM 0 HA ASP A 31 12.802 -9.226 3.892 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.411 -10.927 3.143 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.497 -10.187 1.557 1.00 0.30 H new ATOM 491 N SER A 32 12.559 -8.056 0.836 1.00 0.24 N ATOM 492 CA SER A 32 12.405 -6.843 0.054 1.00 0.23 C ATOM 493 C SER A 32 11.216 -6.027 0.569 1.00 0.20 C ATOM 494 O SER A 32 11.260 -4.799 0.608 1.00 0.22 O ATOM 495 CB SER A 32 12.223 -7.196 -1.423 1.00 0.25 C ATOM 496 OG SER A 32 12.432 -6.069 -2.253 1.00 0.92 O ATOM 0 H SER A 32 12.410 -8.917 0.310 1.00 0.24 H new ATOM 0 HA SER A 32 13.304 -6.235 0.157 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.921 -7.987 -1.698 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.218 -7.587 -1.584 1.00 0.25 H new ATOM 0 HG SER A 32 13.179 -6.246 -2.862 1.00 0.92 H new ATOM 502 N LEU A 33 10.159 -6.716 0.989 1.00 0.17 N ATOM 503 CA LEU A 33 9.005 -6.052 1.585 1.00 0.15 C ATOM 504 C LEU A 33 9.355 -5.516 2.966 1.00 0.14 C ATOM 505 O LEU A 33 8.870 -4.460 3.372 1.00 0.13 O ATOM 506 CB LEU A 33 7.814 -7.008 1.691 1.00 0.16 C ATOM 507 CG LEU A 33 7.246 -7.507 0.362 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.075 -8.444 0.608 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.821 -6.334 -0.513 1.00 0.19 C ATOM 0 H LEU A 33 10.078 -7.731 0.928 1.00 0.17 H new ATOM 0 HA LEU A 33 8.727 -5.221 0.936 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.116 -7.872 2.283 1.00 0.16 H new ATOM 0 HB3 LEU A 33 7.017 -6.507 2.241 1.00 0.16 H new ATOM 0 HG LEU A 33 8.026 -8.059 -0.163 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.680 -8.792 -0.347 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.410 -9.299 1.195 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.293 -7.914 1.152 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.419 -6.709 -1.454 1.00 0.19 H new ATOM 0 HD22 LEU A 33 6.056 -5.754 0.003 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.684 -5.699 -0.714 1.00 0.19 H new ATOM 521 N ASN A 34 10.201 -6.247 3.681 1.00 0.15 N ATOM 522 CA ASN A 34 10.653 -5.827 5.003 1.00 0.16 C ATOM 523 C ASN A 34 11.367 -4.486 4.927 1.00 0.16 C ATOM 524 O ASN A 34 11.054 -3.565 5.684 1.00 0.16 O ATOM 525 CB ASN A 34 11.579 -6.874 5.631 1.00 0.18 C ATOM 526 CG ASN A 34 10.830 -7.925 6.430 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.603 -7.761 7.625 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.443 -9.012 5.781 1.00 0.21 N ATOM 0 H ASN A 34 10.589 -7.136 3.367 1.00 0.15 H new ATOM 0 HA ASN A 34 9.770 -5.723 5.634 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.151 -7.364 4.843 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.296 -6.373 6.282 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.938 -9.748 6.275 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.650 -9.113 4.787 1.00 0.21 H new ATOM 535 N VAL A 35 12.313 -4.370 4.002 1.00 0.17 N ATOM 536 CA VAL A 35 13.049 -3.123 3.833 1.00 0.19 C ATOM 537 C VAL A 35 12.151 -2.049 3.220 1.00 0.18 C ATOM 538 O VAL A 35 12.313 -0.863 3.499 1.00 0.20 O ATOM 539 CB VAL A 35 14.327 -3.305 2.977 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.241 -4.348 3.599 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.992 -3.682 1.543 1.00 0.22 C ATOM 0 H VAL A 35 12.587 -5.117 3.363 1.00 0.17 H new ATOM 0 HA VAL A 35 13.366 -2.803 4.826 1.00 0.19 H new ATOM 0 HB VAL A 35 14.848 -2.348 2.955 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.134 -4.463 2.984 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.529 -4.029 4.601 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.717 -5.302 3.659 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.914 -3.801 0.973 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.436 -4.619 1.534 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.386 -2.896 1.092 1.00 0.22 H new ATOM 551 N ALA A 36 11.189 -2.474 2.401 1.00 0.16 N ATOM 552 CA ALA A 36 10.225 -1.553 1.812 1.00 0.16 C ATOM 553 C ALA A 36 9.390 -0.889 2.897 1.00 0.15 C ATOM 554 O ALA A 36 9.289 0.335 2.948 1.00 0.15 O ATOM 555 CB ALA A 36 9.327 -2.275 0.816 1.00 0.18 C ATOM 0 H ALA A 36 11.059 -3.449 2.132 1.00 0.16 H new ATOM 0 HA ALA A 36 10.776 -0.780 1.277 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.615 -1.568 0.389 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.937 -2.702 0.020 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.785 -3.072 1.326 1.00 0.18 H new ATOM 561 N MET A 37 8.804 -1.703 3.777 1.00 0.14 N ATOM 562 CA MET A 37 8.010 -1.197 4.886 1.00 0.14 C ATOM 563 C MET A 37 8.837 -0.283 5.778 1.00 0.15 C ATOM 564 O MET A 37 8.328 0.703 6.311 1.00 0.18 O ATOM 565 CB MET A 37 7.460 -2.356 5.714 1.00 0.16 C ATOM 566 CG MET A 37 6.380 -3.159 5.010 1.00 0.16 C ATOM 567 SD MET A 37 5.734 -4.498 6.030 1.00 0.21 S ATOM 568 CE MET A 37 7.175 -5.553 6.173 1.00 0.19 C ATOM 0 H MET A 37 8.868 -2.720 3.738 1.00 0.14 H new ATOM 0 HA MET A 37 7.182 -0.622 4.470 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.281 -3.023 5.977 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.056 -1.963 6.647 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.563 -2.494 4.730 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.785 -3.574 4.087 1.00 0.16 H new ATOM 0 HE1 MET A 37 6.890 -6.496 6.639 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.584 -5.747 5.181 1.00 0.19 H new ATOM 0 HE3 MET A 37 7.929 -5.059 6.786 1.00 0.19 H new ATOM 578 N ASP A 38 10.110 -0.623 5.939 1.00 0.17 N ATOM 579 CA ASP A 38 11.028 0.192 6.725 1.00 0.23 C ATOM 580 C ASP A 38 11.135 1.592 6.132 1.00 0.19 C ATOM 581 O ASP A 38 10.995 2.587 6.841 1.00 0.22 O ATOM 582 CB ASP A 38 12.411 -0.461 6.777 1.00 0.33 C ATOM 583 CG ASP A 38 13.385 0.307 7.650 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.379 0.092 8.879 1.00 1.68 O ATOM 585 OD2 ASP A 38 14.169 1.120 7.113 1.00 1.41 O ATOM 0 H ASP A 38 10.531 -1.460 5.535 1.00 0.17 H new ATOM 0 HA ASP A 38 10.637 0.268 7.740 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.314 -1.479 7.155 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.813 -0.533 5.766 1.00 0.33 H new ATOM 590 N CYS A 39 11.356 1.655 4.823 1.00 0.17 N ATOM 591 CA CYS A 39 11.452 2.928 4.119 1.00 0.18 C ATOM 592 C CYS A 39 10.126 3.685 4.166 1.00 0.16 C ATOM 593 O CYS A 39 10.106 4.905 4.303 1.00 0.19 O ATOM 594 CB CYS A 39 11.878 2.701 2.668 1.00 0.20 C ATOM 595 SG CYS A 39 13.504 1.932 2.494 1.00 0.26 S ATOM 0 H CYS A 39 11.472 0.836 4.227 1.00 0.17 H new ATOM 0 HA CYS A 39 12.207 3.534 4.620 1.00 0.18 H new ATOM 0 HB2 CYS A 39 11.135 2.073 2.176 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.882 3.658 2.147 1.00 0.20 H new ATOM 0 HG CYS A 39 13.436 0.686 2.860 1.00 0.26 H new ATOM 601 N ILE A 40 9.018 2.960 4.072 1.00 0.13 N ATOM 602 CA ILE A 40 7.698 3.577 4.140 1.00 0.13 C ATOM 603 C ILE A 40 7.481 4.215 5.511 1.00 0.15 C ATOM 604 O ILE A 40 7.061 5.369 5.616 1.00 0.16 O ATOM 605 CB ILE A 40 6.573 2.553 3.866 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.730 1.948 2.469 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.207 3.209 4.007 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.752 0.830 2.173 1.00 0.16 C ATOM 0 H ILE A 40 9.006 1.948 3.949 1.00 0.13 H new ATOM 0 HA ILE A 40 7.658 4.344 3.366 1.00 0.13 H new ATOM 0 HB ILE A 40 6.650 1.753 4.602 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.603 2.735 1.726 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.746 1.568 2.360 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.428 2.473 3.810 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.093 3.597 5.019 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.121 4.028 3.293 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.925 0.452 1.165 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.893 0.023 2.892 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.733 1.209 2.248 1.00 0.16 H new ATOM 620 N SER A 41 7.796 3.458 6.555 1.00 0.21 N ATOM 621 CA SER A 41 7.662 3.937 7.923 1.00 0.28 C ATOM 622 C SER A 41 8.602 5.114 8.165 1.00 0.30 C ATOM 623 O SER A 41 8.244 6.084 8.832 1.00 0.34 O ATOM 624 CB SER A 41 7.967 2.803 8.902 1.00 0.37 C ATOM 625 OG SER A 41 7.200 1.652 8.592 1.00 1.13 O ATOM 0 H SER A 41 8.148 2.504 6.478 1.00 0.21 H new ATOM 0 HA SER A 41 6.638 4.275 8.082 1.00 0.28 H new ATOM 0 HB2 SER A 41 9.029 2.559 8.864 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.750 3.127 9.920 1.00 0.37 H new ATOM 0 HG SER A 41 7.626 1.163 7.858 1.00 1.13 H new ATOM 631 N GLU A 42 9.800 5.014 7.603 1.00 0.32 N ATOM 632 CA GLU A 42 10.790 6.079 7.679 1.00 0.37 C ATOM 633 C GLU A 42 10.265 7.356 7.026 1.00 0.31 C ATOM 634 O GLU A 42 10.327 8.435 7.613 1.00 0.44 O ATOM 635 CB GLU A 42 12.072 5.638 6.974 1.00 0.46 C ATOM 636 CG GLU A 42 13.164 6.690 6.964 1.00 0.59 C ATOM 637 CD GLU A 42 14.155 6.471 5.845 1.00 1.45 C ATOM 638 OE1 GLU A 42 15.142 5.735 6.046 1.00 2.00 O ATOM 639 OE2 GLU A 42 13.943 7.027 4.749 1.00 2.23 O ATOM 0 H GLU A 42 10.112 4.194 7.083 1.00 0.32 H new ATOM 0 HA GLU A 42 10.996 6.284 8.729 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.452 4.740 7.461 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.834 5.367 5.946 1.00 0.46 H new ATOM 0 HG2 GLU A 42 12.714 7.678 6.861 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.688 6.677 7.920 1.00 0.59 H new ATOM 646 N ALA A 43 9.741 7.206 5.813 1.00 0.18 N ATOM 647 CA ALA A 43 9.273 8.331 5.011 1.00 0.16 C ATOM 648 C ALA A 43 8.266 9.193 5.760 1.00 0.17 C ATOM 649 O ALA A 43 8.440 10.407 5.870 1.00 0.25 O ATOM 650 CB ALA A 43 8.666 7.828 3.711 1.00 0.19 C ATOM 0 H ALA A 43 9.629 6.300 5.358 1.00 0.18 H new ATOM 0 HA ALA A 43 10.138 8.957 4.793 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.320 8.675 3.119 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.418 7.276 3.148 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.824 7.172 3.932 1.00 0.19 H new ATOM 656 N PHE A 44 7.222 8.568 6.283 1.00 0.19 N ATOM 657 CA PHE A 44 6.166 9.310 6.959 1.00 0.26 C ATOM 658 C PHE A 44 6.457 9.469 8.450 1.00 0.30 C ATOM 659 O PHE A 44 5.716 10.135 9.172 1.00 0.35 O ATOM 660 CB PHE A 44 4.814 8.632 6.748 1.00 0.27 C ATOM 661 CG PHE A 44 4.408 8.542 5.305 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.922 9.654 4.639 1.00 1.10 C ATOM 663 CD2 PHE A 44 4.509 7.346 4.616 1.00 1.15 C ATOM 664 CE1 PHE A 44 3.546 9.574 3.313 1.00 1.13 C ATOM 665 CE2 PHE A 44 4.135 7.259 3.291 1.00 1.15 C ATOM 666 CZ PHE A 44 3.652 8.376 2.639 1.00 0.31 C ATOM 0 H PHE A 44 7.083 7.558 6.254 1.00 0.19 H new ATOM 0 HA PHE A 44 6.131 10.307 6.520 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.850 7.628 7.170 1.00 0.27 H new ATOM 0 HB3 PHE A 44 4.051 9.182 7.298 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.836 10.595 5.163 1.00 1.10 H new ATOM 0 HD2 PHE A 44 4.885 6.469 5.122 1.00 1.15 H new ATOM 0 HE1 PHE A 44 3.169 10.449 2.804 1.00 1.13 H new ATOM 0 HE2 PHE A 44 4.220 6.320 2.765 1.00 1.15 H new ATOM 0 HZ PHE A 44 3.357 8.311 1.602 1.00 0.31 H new ATOM 676 N GLY A 45 7.547 8.850 8.897 1.00 0.29 N ATOM 677 CA GLY A 45 7.988 8.989 10.276 1.00 0.35 C ATOM 678 C GLY A 45 7.047 8.349 11.279 1.00 0.37 C ATOM 679 O GLY A 45 6.685 8.971 12.276 1.00 0.43 O ATOM 0 H GLY A 45 8.138 8.249 8.323 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.976 8.541 10.380 1.00 0.35 H new ATOM 0 HA3 GLY A 45 8.091 10.048 10.511 1.00 0.35 H new ATOM 683 N PHE A 46 6.658 7.107 11.032 1.00 0.36 N ATOM 684 CA PHE A 46 5.743 6.416 11.932 1.00 0.39 C ATOM 685 C PHE A 46 6.218 4.995 12.203 1.00 0.40 C ATOM 686 O PHE A 46 7.169 4.515 11.583 1.00 0.41 O ATOM 687 CB PHE A 46 4.315 6.407 11.359 1.00 0.37 C ATOM 688 CG PHE A 46 4.111 5.517 10.163 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.594 5.878 8.919 1.00 1.27 C ATOM 690 CD2 PHE A 46 3.415 4.326 10.285 1.00 1.17 C ATOM 691 CE1 PHE A 46 4.390 5.067 7.818 1.00 1.26 C ATOM 692 CE2 PHE A 46 3.210 3.509 9.191 1.00 1.18 C ATOM 693 CZ PHE A 46 3.698 3.881 7.955 1.00 0.22 C ATOM 0 H PHE A 46 6.957 6.560 10.225 1.00 0.36 H new ATOM 0 HA PHE A 46 5.729 6.958 12.878 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.627 6.096 12.145 1.00 0.37 H new ATOM 0 HB3 PHE A 46 4.045 7.426 11.084 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.137 6.805 8.806 1.00 1.27 H new ATOM 0 HD2 PHE A 46 3.027 4.032 11.249 1.00 1.17 H new ATOM 0 HE1 PHE A 46 4.772 5.361 6.852 1.00 1.26 H new ATOM 0 HE2 PHE A 46 2.669 2.581 9.302 1.00 1.18 H new ATOM 0 HZ PHE A 46 3.539 3.245 7.097 1.00 0.22 H new ATOM 703 N GLU A 47 5.558 4.335 13.144 1.00 0.42 N ATOM 704 CA GLU A 47 5.882 2.960 13.502 1.00 0.44 C ATOM 705 C GLU A 47 4.873 2.014 12.870 1.00 0.40 C ATOM 706 O GLU A 47 3.719 2.379 12.659 1.00 0.39 O ATOM 707 CB GLU A 47 5.851 2.782 15.019 1.00 0.53 C ATOM 708 CG GLU A 47 6.879 3.613 15.766 1.00 0.59 C ATOM 709 CD GLU A 47 6.846 3.351 17.255 1.00 1.14 C ATOM 710 OE1 GLU A 47 7.410 2.329 17.694 1.00 1.56 O ATOM 711 OE2 GLU A 47 6.237 4.149 17.998 1.00 1.92 O ATOM 0 H GLU A 47 4.787 4.734 13.679 1.00 0.42 H new ATOM 0 HA GLU A 47 6.883 2.734 13.135 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.857 3.041 15.383 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.012 1.730 15.253 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.874 3.391 15.381 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.694 4.671 15.580 1.00 0.59 H new ATOM 718 N ARG A 48 5.294 0.781 12.621 1.00 0.41 N ATOM 719 CA ARG A 48 4.445 -0.196 11.952 1.00 0.40 C ATOM 720 C ARG A 48 3.450 -0.787 12.936 1.00 0.41 C ATOM 721 O ARG A 48 2.466 -1.406 12.549 1.00 0.43 O ATOM 722 CB ARG A 48 5.297 -1.310 11.343 1.00 0.44 C ATOM 723 CG ARG A 48 6.108 -0.873 10.137 1.00 0.61 C ATOM 724 CD ARG A 48 7.079 -1.959 9.704 1.00 0.91 C ATOM 725 NE ARG A 48 6.418 -3.249 9.521 1.00 1.18 N ATOM 726 CZ ARG A 48 7.030 -4.423 9.671 1.00 1.88 C ATOM 727 NH1 ARG A 48 8.331 -4.470 9.933 1.00 2.57 N ATOM 728 NH2 ARG A 48 6.343 -5.550 9.538 1.00 2.20 N ATOM 0 H ARG A 48 6.219 0.433 12.873 1.00 0.41 H new ATOM 0 HA ARG A 48 3.899 0.307 11.154 1.00 0.40 H new ATOM 0 HB2 ARG A 48 5.975 -1.694 12.105 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.646 -2.134 11.052 1.00 0.44 H new ATOM 0 HG2 ARG A 48 5.437 -0.632 9.313 1.00 0.61 H new ATOM 0 HG3 ARG A 48 6.659 0.037 10.376 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.560 -1.663 8.771 1.00 0.91 H new ATOM 0 HD3 ARG A 48 7.867 -2.059 10.451 1.00 0.91 H new ATOM 0 HE ARG A 48 5.431 -3.251 9.264 1.00 1.18 H new ATOM 0 HH11 ARG A 48 8.865 -3.605 10.020 1.00 2.57 H new ATOM 0 HH12 ARG A 48 8.796 -5.371 10.047 1.00 2.57 H new ATOM 0 HH21 ARG A 48 5.347 -5.517 9.321 1.00 2.20 H new ATOM 0 HH22 ARG A 48 6.811 -6.449 9.653 1.00 2.20 H new ATOM 742 N GLU A 49 3.726 -0.594 14.217 1.00 0.42 N ATOM 743 CA GLU A 49 2.851 -1.078 15.272 1.00 0.46 C ATOM 744 C GLU A 49 1.726 -0.081 15.526 1.00 0.42 C ATOM 745 O GLU A 49 0.719 -0.403 16.155 1.00 0.46 O ATOM 746 CB GLU A 49 3.652 -1.299 16.555 1.00 0.56 C ATOM 747 CG GLU A 49 4.833 -2.241 16.383 1.00 1.14 C ATOM 748 CD GLU A 49 5.624 -2.414 17.660 1.00 1.54 C ATOM 749 OE1 GLU A 49 6.523 -1.592 17.929 1.00 2.23 O ATOM 750 OE2 GLU A 49 5.343 -3.368 18.412 1.00 2.06 O ATOM 0 H GLU A 49 4.555 -0.102 14.552 1.00 0.42 H new ATOM 0 HA GLU A 49 2.414 -2.026 14.957 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.015 -0.337 16.916 1.00 0.56 H new ATOM 0 HB3 GLU A 49 2.989 -1.698 17.323 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.473 -3.213 16.048 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.489 -1.858 15.602 1.00 1.14 H new ATOM 757 N ALA A 50 1.899 1.131 15.012 1.00 0.40 N ATOM 758 CA ALA A 50 0.941 2.204 15.239 1.00 0.42 C ATOM 759 C ALA A 50 -0.179 2.177 14.206 1.00 0.37 C ATOM 760 O ALA A 50 -1.080 3.015 14.236 1.00 0.41 O ATOM 761 CB ALA A 50 1.646 3.552 15.214 1.00 0.48 C ATOM 0 H ALA A 50 2.697 1.395 14.434 1.00 0.40 H new ATOM 0 HA ALA A 50 0.495 2.052 16.222 1.00 0.42 H new ATOM 0 HB1 ALA A 50 0.919 4.346 15.385 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.405 3.580 15.996 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.120 3.697 14.243 1.00 0.48 H new ATOM 767 N VAL A 51 -0.107 1.216 13.285 1.00 0.33 N ATOM 768 CA VAL A 51 -1.115 1.075 12.235 1.00 0.31 C ATOM 769 C VAL A 51 -2.535 1.073 12.797 1.00 0.36 C ATOM 770 O VAL A 51 -3.415 1.721 12.245 1.00 0.41 O ATOM 771 CB VAL A 51 -0.901 -0.195 11.382 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.387 -0.092 10.586 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.897 -1.451 12.243 1.00 0.33 C ATOM 0 H VAL A 51 0.640 0.523 13.245 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.993 1.948 11.594 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.737 -0.271 10.687 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.521 -0.996 9.991 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.338 0.773 9.925 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.229 0.021 11.269 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.744 -2.325 11.610 1.00 0.33 H new ATOM 0 HG22 VAL A 51 -0.092 -1.388 12.975 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.852 -1.540 12.761 1.00 0.33 H new ATOM 783 N SER A 52 -2.742 0.374 13.906 1.00 0.37 N ATOM 784 CA SER A 52 -4.057 0.287 14.526 1.00 0.45 C ATOM 785 C SER A 52 -4.551 1.668 14.950 1.00 0.48 C ATOM 786 O SER A 52 -5.686 2.053 14.657 1.00 0.51 O ATOM 787 CB SER A 52 -3.982 -0.650 15.730 1.00 0.53 C ATOM 788 OG SER A 52 -2.830 -0.371 16.512 1.00 1.24 O ATOM 0 H SER A 52 -2.012 -0.143 14.396 1.00 0.37 H new ATOM 0 HA SER A 52 -4.768 -0.110 13.802 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.878 -0.538 16.341 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.955 -1.685 15.390 1.00 0.53 H new ATOM 0 HG SER A 52 -2.800 -0.980 17.279 1.00 1.24 H new ATOM 794 N GLY A 53 -3.684 2.397 15.642 1.00 0.51 N ATOM 795 CA GLY A 53 -3.991 3.752 16.062 1.00 0.57 C ATOM 796 C GLY A 53 -4.380 4.656 14.906 1.00 0.55 C ATOM 797 O GLY A 53 -5.313 5.451 15.022 1.00 0.59 O ATOM 0 H GLY A 53 -2.760 2.068 15.923 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.805 3.727 16.786 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.124 4.174 16.571 1.00 0.57 H new ATOM 801 N ILE A 54 -3.666 4.544 13.793 1.00 0.50 N ATOM 802 CA ILE A 54 -3.956 5.362 12.620 1.00 0.51 C ATOM 803 C ILE A 54 -5.225 4.874 11.917 1.00 0.50 C ATOM 804 O ILE A 54 -6.094 5.672 11.566 1.00 0.57 O ATOM 805 CB ILE A 54 -2.779 5.359 11.617 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.460 5.651 12.341 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.017 6.394 10.521 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.241 5.568 11.446 1.00 0.49 C ATOM 0 H ILE A 54 -2.885 3.898 13.677 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.107 6.382 12.972 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.715 4.371 11.160 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.510 6.647 12.780 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.344 4.946 13.164 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.181 6.382 9.821 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.938 6.156 9.990 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.102 7.384 10.968 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.654 5.787 12.029 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -0.165 4.565 11.027 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.333 6.293 10.637 1.00 0.49 H new ATOM 820 N LEU A 55 -5.322 3.561 11.724 1.00 0.47 N ATOM 821 CA LEU A 55 -6.487 2.954 11.077 1.00 0.48 C ATOM 822 C LEU A 55 -7.775 3.290 11.823 1.00 0.55 C ATOM 823 O LEU A 55 -8.796 3.583 11.206 1.00 0.65 O ATOM 824 CB LEU A 55 -6.331 1.431 10.971 1.00 0.48 C ATOM 825 CG LEU A 55 -5.205 0.943 10.052 1.00 0.46 C ATOM 826 CD1 LEU A 55 -5.178 -0.577 10.003 1.00 0.52 C ATOM 827 CD2 LEU A 55 -5.361 1.518 8.652 1.00 0.46 C ATOM 0 H LEU A 55 -4.605 2.893 12.007 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.549 3.371 10.072 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -6.159 1.031 11.970 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -7.272 1.011 10.617 1.00 0.48 H new ATOM 0 HG LEU A 55 -4.257 1.294 10.460 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -4.373 -0.906 9.346 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -5.012 -0.970 11.006 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -6.130 -0.946 9.622 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.551 1.158 8.018 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -6.317 1.202 8.233 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -5.328 2.606 8.700 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.058 -10.223 -3.200 1.00 0.41 N ATOM 1168 CA LYS B 5 -0.881 -9.376 -3.032 1.00 0.36 C ATOM 1169 C LYS B 5 -0.590 -8.536 -4.282 1.00 0.27 C ATOM 1170 O LYS B 5 -0.238 -7.363 -4.168 1.00 0.25 O ATOM 1171 CB LYS B 5 0.328 -10.237 -2.651 1.00 0.42 C ATOM 1172 CG LYS B 5 0.458 -11.515 -3.470 1.00 0.41 C ATOM 1173 CD LYS B 5 1.495 -12.454 -2.877 1.00 0.54 C ATOM 1174 CE LYS B 5 1.425 -13.838 -3.504 1.00 0.73 C ATOM 1175 NZ LYS B 5 0.106 -14.495 -3.280 1.00 1.14 N ATOM 0 HA LYS B 5 -1.085 -8.672 -2.225 1.00 0.36 H new ATOM 0 HB2 LYS B 5 1.236 -9.646 -2.772 1.00 0.42 H new ATOM 0 HB3 LYS B 5 0.257 -10.499 -1.595 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.507 -12.019 -3.515 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.735 -11.265 -4.494 1.00 0.41 H new ATOM 0 HD2 LYS B 5 2.491 -12.037 -3.026 1.00 0.54 H new ATOM 0 HD3 LYS B 5 1.341 -12.534 -1.801 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.612 -13.759 -4.575 1.00 0.73 H new ATOM 0 HE3 LYS B 5 2.215 -14.463 -3.088 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 0.192 -15.516 -3.460 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.196 -14.341 -2.297 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 -0.599 -14.087 -3.927 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.781 -9.126 -5.460 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.552 -8.424 -6.726 1.00 0.36 C ATOM 1191 C GLU B 6 -1.426 -7.175 -6.825 1.00 0.38 C ATOM 1192 O GLU B 6 -0.932 -6.066 -7.044 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.876 -9.339 -7.911 1.00 0.49 C ATOM 1194 CG GLU B 6 0.132 -10.446 -8.165 1.00 0.99 C ATOM 1195 CD GLU B 6 1.471 -9.923 -8.638 1.00 1.46 C ATOM 1196 OE1 GLU B 6 1.588 -9.586 -9.835 1.00 2.00 O ATOM 1197 OE2 GLU B 6 2.409 -9.863 -7.824 1.00 2.11 O ATOM 0 H GLU B 6 -1.095 -10.091 -5.567 1.00 0.29 H new ATOM 0 HA GLU B 6 0.499 -8.135 -6.754 1.00 0.36 H new ATOM 0 HB2 GLU B 6 -1.854 -9.791 -7.744 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -0.956 -8.728 -8.810 1.00 0.49 H new ATOM 0 HG2 GLU B 6 0.274 -11.019 -7.249 1.00 0.99 H new ATOM 0 HG3 GLU B 6 -0.269 -11.132 -8.911 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.726 -7.377 -6.653 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.714 -6.314 -6.805 1.00 0.48 C ATOM 1206 C GLU B 7 -3.467 -5.192 -5.805 1.00 0.40 C ATOM 1207 O GLU B 7 -3.517 -4.009 -6.152 1.00 0.39 O ATOM 1208 CB GLU B 7 -5.118 -6.891 -6.614 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.419 -8.054 -7.546 1.00 0.74 C ATOM 1210 CD GLU B 7 -6.662 -8.821 -7.146 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.708 -9.332 -6.009 1.00 1.68 O ATOM 1212 OE2 GLU B 7 -7.588 -8.943 -7.969 1.00 1.25 O ATOM 0 H GLU B 7 -3.126 -8.282 -6.404 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.625 -5.896 -7.808 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -5.230 -7.222 -5.582 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.853 -6.103 -6.778 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.541 -7.677 -8.562 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.567 -8.733 -7.558 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.186 -5.574 -4.567 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.944 -4.608 -3.510 1.00 0.35 C ATOM 1221 C ILE B 8 -1.660 -3.829 -3.773 1.00 0.27 C ATOM 1222 O ILE B 8 -1.658 -2.601 -3.730 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.866 -5.287 -2.126 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.141 -6.088 -1.847 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.645 -4.251 -1.032 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -5.401 -5.247 -1.807 1.00 0.96 C ATOM 0 H ILE B 8 -3.120 -6.548 -4.272 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.788 -3.918 -3.506 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.019 -5.973 -2.131 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -4.252 -6.854 -2.615 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.031 -6.605 -0.894 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.593 -4.749 -0.064 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.711 -3.720 -1.217 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.472 -3.541 -1.031 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -6.260 -5.887 -1.605 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -5.314 -4.498 -1.020 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -5.537 -4.750 -2.768 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.578 -4.548 -4.069 1.00 0.24 N ATOM 1239 CA ALA B 9 0.716 -3.923 -4.338 1.00 0.20 C ATOM 1240 C ALA B 9 0.618 -2.911 -5.472 1.00 0.19 C ATOM 1241 O ALA B 9 1.259 -1.858 -5.431 1.00 0.16 O ATOM 1242 CB ALA B 9 1.760 -4.981 -4.665 1.00 0.21 C ATOM 0 H ALA B 9 -0.572 -5.566 -4.129 1.00 0.24 H new ATOM 0 HA ALA B 9 1.022 -3.391 -3.437 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.717 -4.499 -4.863 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.864 -5.662 -3.821 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.447 -5.541 -5.546 1.00 0.21 H new ATOM 1248 N ALA B 10 -0.193 -3.231 -6.473 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.423 -2.331 -7.594 1.00 0.25 C ATOM 1250 C ALA B 10 -0.998 -1.004 -7.112 1.00 0.23 C ATOM 1251 O ALA B 10 -0.484 0.062 -7.441 1.00 0.22 O ATOM 1252 CB ALA B 10 -1.357 -2.976 -8.607 1.00 0.33 C ATOM 0 H ALA B 10 -0.704 -4.112 -6.530 1.00 0.23 H new ATOM 0 HA ALA B 10 0.534 -2.134 -8.077 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.520 -2.291 -9.439 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.910 -3.899 -8.978 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -2.311 -3.201 -8.130 1.00 0.33 H new ATOM 1258 N LEU B 11 -2.057 -1.078 -6.317 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.689 0.118 -5.768 1.00 0.29 C ATOM 1260 C LEU B 11 -1.704 0.848 -4.856 1.00 0.26 C ATOM 1261 O LEU B 11 -1.632 2.077 -4.857 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.967 -0.284 -5.005 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.950 0.845 -4.634 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.438 1.676 -3.466 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.226 1.735 -5.836 1.00 0.63 C ATOM 0 H LEU B 11 -2.498 -1.954 -6.037 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.969 0.796 -6.574 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.505 -1.016 -5.608 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.668 -0.787 -4.086 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.883 0.375 -4.324 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.158 2.461 -3.235 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.307 1.036 -2.594 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.482 2.127 -3.732 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -5.922 2.525 -5.552 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.293 2.180 -6.181 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.662 1.139 -6.638 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.932 0.075 -4.104 1.00 0.21 N ATOM 1278 CA ILE B 12 0.045 0.617 -3.169 1.00 0.20 C ATOM 1279 C ILE B 12 1.082 1.497 -3.869 1.00 0.18 C ATOM 1280 O ILE B 12 1.233 2.672 -3.528 1.00 0.20 O ATOM 1281 CB ILE B 12 0.750 -0.521 -2.398 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.241 -1.184 -1.438 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.969 -0.004 -1.649 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.330 -2.360 -0.679 1.00 0.24 C ATOM 0 H ILE B 12 -0.965 -0.944 -4.125 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.500 1.244 -2.463 1.00 0.20 H new ATOM 0 HB ILE B 12 1.099 -1.264 -3.115 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.592 -0.440 -0.723 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.111 -1.518 -2.004 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.445 -0.827 -1.116 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.676 0.426 -2.358 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.661 0.760 -0.936 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.434 -2.774 -0.021 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.655 -3.125 -1.384 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.182 -2.030 -0.084 1.00 0.24 H new ATOM 1296 N VAL B 13 1.785 0.941 -4.853 1.00 0.16 N ATOM 1297 CA VAL B 13 2.817 1.698 -5.553 1.00 0.16 C ATOM 1298 C VAL B 13 2.198 2.834 -6.364 1.00 0.16 C ATOM 1299 O VAL B 13 2.792 3.903 -6.504 1.00 0.18 O ATOM 1300 CB VAL B 13 3.692 0.807 -6.467 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.465 -0.207 -5.639 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.855 0.100 -7.522 1.00 0.14 C ATOM 0 H VAL B 13 1.661 -0.017 -5.179 1.00 0.16 H new ATOM 0 HA VAL B 13 3.470 2.116 -4.787 1.00 0.16 H new ATOM 0 HB VAL B 13 4.400 1.456 -6.982 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.075 -0.825 -6.298 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.109 0.316 -4.932 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.765 -0.840 -5.093 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.502 -0.517 -8.146 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.112 -0.531 -7.034 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.351 0.841 -8.143 1.00 0.14 H new ATOM 1312 N ASN B 14 0.995 2.600 -6.878 1.00 0.18 N ATOM 1313 CA ASN B 14 0.251 3.631 -7.594 1.00 0.21 C ATOM 1314 C ASN B 14 -0.028 4.819 -6.677 1.00 0.19 C ATOM 1315 O ASN B 14 0.116 5.976 -7.076 1.00 0.20 O ATOM 1316 CB ASN B 14 -1.069 3.062 -8.128 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.890 4.089 -8.888 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -1.348 4.992 -9.520 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -3.208 3.960 -8.828 1.00 0.57 N ATOM 0 H ASN B 14 0.513 1.703 -6.812 1.00 0.18 H new ATOM 0 HA ASN B 14 0.855 3.970 -8.435 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.856 2.217 -8.783 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.657 2.679 -7.294 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.808 4.624 -9.317 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.622 3.197 -8.293 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.407 4.523 -5.440 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.758 5.561 -4.481 1.00 0.24 C ATOM 1328 C TYR B 15 0.463 6.398 -4.111 1.00 0.21 C ATOM 1329 O TYR B 15 0.387 7.627 -4.075 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.392 4.966 -3.221 1.00 0.29 C ATOM 1331 CG TYR B 15 -2.026 6.014 -2.333 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -3.303 6.491 -2.601 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -1.346 6.540 -1.241 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -3.886 7.459 -1.805 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -1.921 7.509 -0.442 1.00 1.21 C ATOM 1336 CZ TYR B 15 -3.191 7.966 -0.729 1.00 0.64 C ATOM 1337 OH TYR B 15 -3.766 8.934 0.064 1.00 0.79 O ATOM 0 H TYR B 15 -0.479 3.572 -5.078 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.493 6.209 -4.958 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -2.148 4.236 -3.510 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.630 4.429 -2.655 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.850 6.099 -3.446 1.00 1.30 H new ATOM 0 HD2 TYR B 15 -0.352 6.185 -1.013 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -4.881 7.816 -2.025 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -1.379 7.907 0.403 1.00 1.21 H new ATOM 0 HH TYR B 15 -3.144 9.182 0.780 1.00 0.79 H new ATOM 1347 N PHE B 16 1.590 5.741 -3.848 1.00 0.20 N ATOM 1348 CA PHE B 16 2.818 6.462 -3.518 1.00 0.20 C ATOM 1349 C PHE B 16 3.285 7.296 -4.702 1.00 0.19 C ATOM 1350 O PHE B 16 3.827 8.390 -4.526 1.00 0.20 O ATOM 1351 CB PHE B 16 3.938 5.511 -3.083 1.00 0.20 C ATOM 1352 CG PHE B 16 3.720 4.862 -1.741 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.353 5.619 -0.635 1.00 0.91 C ATOM 1354 CD2 PHE B 16 3.901 3.497 -1.579 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.168 5.026 0.597 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.717 2.902 -0.348 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.350 3.667 0.741 1.00 0.22 C ATOM 0 H PHE B 16 1.680 4.725 -3.856 1.00 0.20 H new ATOM 0 HA PHE B 16 2.588 7.120 -2.680 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.048 4.731 -3.836 1.00 0.20 H new ATOM 0 HB3 PHE B 16 4.877 6.064 -3.057 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.211 6.684 -0.741 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.189 2.893 -2.426 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.881 5.626 1.448 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.860 1.837 -0.236 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.206 3.201 1.705 1.00 0.22 H new ATOM 1367 N SER B 17 3.059 6.785 -5.906 1.00 0.19 N ATOM 1368 CA SER B 17 3.387 7.520 -7.118 1.00 0.20 C ATOM 1369 C SER B 17 2.565 8.805 -7.202 1.00 0.20 C ATOM 1370 O SER B 17 3.040 9.822 -7.703 1.00 0.24 O ATOM 1371 CB SER B 17 3.154 6.647 -8.352 1.00 0.21 C ATOM 1372 OG SER B 17 3.969 5.485 -8.310 1.00 0.90 O ATOM 0 H SER B 17 2.650 5.865 -6.068 1.00 0.19 H new ATOM 0 HA SER B 17 4.442 7.791 -7.085 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.104 6.358 -8.406 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.374 7.218 -9.254 1.00 0.21 H new ATOM 0 HG SER B 17 3.609 4.856 -7.650 1.00 0.90 H new ATOM 1378 N SER B 18 1.340 8.754 -6.694 1.00 0.24 N ATOM 1379 CA SER B 18 0.493 9.934 -6.622 1.00 0.25 C ATOM 1380 C SER B 18 1.002 10.892 -5.544 1.00 0.25 C ATOM 1381 O SER B 18 1.029 12.105 -5.742 1.00 0.29 O ATOM 1382 CB SER B 18 -0.952 9.531 -6.319 1.00 0.26 C ATOM 1383 OG SER B 18 -1.453 8.625 -7.288 1.00 0.84 O ATOM 0 H SER B 18 0.912 7.905 -6.325 1.00 0.24 H new ATOM 0 HA SER B 18 0.526 10.441 -7.587 1.00 0.25 H new ATOM 0 HB2 SER B 18 -1.004 9.074 -5.331 1.00 0.26 H new ATOM 0 HB3 SER B 18 -1.581 10.421 -6.292 1.00 0.26 H new ATOM 0 HG SER B 18 -0.950 7.785 -7.242 1.00 0.84 H new ATOM 1389 N ILE B 19 1.419 10.330 -4.411 1.00 0.23 N ATOM 1390 CA ILE B 19 1.902 11.126 -3.284 1.00 0.24 C ATOM 1391 C ILE B 19 3.117 11.964 -3.675 1.00 0.25 C ATOM 1392 O ILE B 19 3.146 13.172 -3.441 1.00 0.28 O ATOM 1393 CB ILE B 19 2.265 10.232 -2.069 1.00 0.24 C ATOM 1394 CG1 ILE B 19 1.013 9.528 -1.532 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.936 11.042 -0.961 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.075 10.477 -1.071 1.00 0.27 C ATOM 0 H ILE B 19 1.432 9.323 -4.249 1.00 0.23 H new ATOM 0 HA ILE B 19 1.087 11.792 -3.000 1.00 0.24 H new ATOM 0 HB ILE B 19 2.976 9.479 -2.409 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.610 8.880 -2.311 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.298 8.886 -0.699 1.00 0.25 H new ATOM 0 HG21 ILE B 19 3.177 10.385 -0.125 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.851 11.493 -1.344 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.259 11.826 -0.623 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -0.927 9.904 -0.705 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.308 11.108 -0.270 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.390 11.102 -1.906 1.00 0.27 H new ATOM 1408 N VAL B 20 4.107 11.325 -4.284 1.00 0.25 N ATOM 1409 CA VAL B 20 5.326 12.021 -4.670 1.00 0.28 C ATOM 1410 C VAL B 20 5.068 12.978 -5.835 1.00 0.33 C ATOM 1411 O VAL B 20 5.672 14.047 -5.914 1.00 0.34 O ATOM 1412 CB VAL B 20 6.461 11.032 -5.034 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.804 10.154 -3.841 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.089 10.173 -6.234 1.00 0.30 C ATOM 0 H VAL B 20 4.090 10.333 -4.520 1.00 0.25 H new ATOM 0 HA VAL B 20 5.649 12.601 -3.806 1.00 0.28 H new ATOM 0 HB VAL B 20 7.338 11.620 -5.304 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.603 9.465 -4.114 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.132 10.780 -3.011 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.923 9.587 -3.541 1.00 0.26 H new ATOM 0 HG21 VAL B 20 6.908 9.491 -6.461 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.191 9.598 -6.006 1.00 0.30 H new ATOM 0 HG23 VAL B 20 5.901 10.814 -7.096 1.00 0.30 H new ATOM 1424 N GLU B 21 4.155 12.590 -6.720 1.00 0.39 N ATOM 1425 CA GLU B 21 3.785 13.410 -7.870 1.00 0.49 C ATOM 1426 C GLU B 21 3.151 14.727 -7.428 1.00 0.49 C ATOM 1427 O GLU B 21 3.462 15.789 -7.968 1.00 0.53 O ATOM 1428 CB GLU B 21 2.823 12.632 -8.770 1.00 0.60 C ATOM 1429 CG GLU B 21 2.421 13.364 -10.038 1.00 1.24 C ATOM 1430 CD GLU B 21 1.634 12.482 -10.982 1.00 1.84 C ATOM 1431 OE1 GLU B 21 0.393 12.431 -10.865 1.00 2.40 O ATOM 1432 OE2 GLU B 21 2.256 11.821 -11.842 1.00 2.49 O ATOM 0 H GLU B 21 3.653 11.704 -6.662 1.00 0.39 H new ATOM 0 HA GLU B 21 4.690 13.648 -8.429 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.287 11.684 -9.043 1.00 0.60 H new ATOM 0 HB3 GLU B 21 1.924 12.395 -8.201 1.00 0.60 H new ATOM 0 HG2 GLU B 21 1.824 14.238 -9.777 1.00 1.24 H new ATOM 0 HG3 GLU B 21 3.315 13.728 -10.544 1.00 1.24 H new ATOM 1439 N LYS B 22 2.275 14.660 -6.434 1.00 0.47 N ATOM 1440 CA LYS B 22 1.599 15.853 -5.938 1.00 0.50 C ATOM 1441 C LYS B 22 2.444 16.559 -4.887 1.00 0.43 C ATOM 1442 O LYS B 22 2.058 17.605 -4.367 1.00 0.44 O ATOM 1443 CB LYS B 22 0.234 15.493 -5.346 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.646 14.700 -6.293 1.00 0.68 C ATOM 1445 CD LYS B 22 -2.006 14.409 -5.684 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.797 13.450 -6.553 1.00 0.72 C ATOM 1447 NZ LYS B 22 -4.203 13.304 -6.096 1.00 1.41 N ATOM 0 H LYS B 22 2.016 13.797 -5.957 1.00 0.47 H new ATOM 0 HA LYS B 22 1.454 16.528 -6.782 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.383 14.917 -4.433 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.284 16.410 -5.063 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.774 15.256 -7.222 1.00 0.68 H new ATOM 0 HG3 LYS B 22 -0.153 13.762 -6.548 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.879 13.983 -4.689 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.561 15.339 -5.564 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.787 13.805 -7.584 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -2.312 12.474 -6.547 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -4.704 12.639 -6.720 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -4.215 12.940 -5.122 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -4.676 14.230 -6.126 1.00 1.41 H new ATOM 1461 N LYS B 23 3.597 15.964 -4.581 1.00 0.37 N ATOM 1462 CA LYS B 23 4.530 16.509 -3.597 1.00 0.32 C ATOM 1463 C LYS B 23 3.883 16.570 -2.217 1.00 0.36 C ATOM 1464 O LYS B 23 4.059 17.531 -1.464 1.00 0.41 O ATOM 1465 CB LYS B 23 5.034 17.888 -4.034 1.00 0.36 C ATOM 1466 CG LYS B 23 5.835 17.847 -5.325 1.00 0.42 C ATOM 1467 CD LYS B 23 6.207 19.238 -5.803 1.00 0.57 C ATOM 1468 CE LYS B 23 6.999 19.183 -7.099 1.00 1.21 C ATOM 1469 NZ LYS B 23 7.263 20.538 -7.652 1.00 1.79 N ATOM 0 H LYS B 23 3.909 15.092 -5.008 1.00 0.37 H new ATOM 0 HA LYS B 23 5.391 15.843 -3.534 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.182 18.556 -4.163 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.653 18.310 -3.242 1.00 0.36 H new ATOM 0 HG2 LYS B 23 6.741 17.261 -5.172 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.255 17.341 -6.097 1.00 0.42 H new ATOM 0 HD2 LYS B 23 5.302 19.828 -5.952 1.00 0.57 H new ATOM 0 HD3 LYS B 23 6.794 19.743 -5.036 1.00 0.57 H new ATOM 0 HE2 LYS B 23 7.946 18.673 -6.923 1.00 1.21 H new ATOM 0 HE3 LYS B 23 6.451 18.593 -7.833 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 7.805 20.453 -8.535 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 6.360 21.016 -7.845 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 7.809 21.094 -6.963 1.00 1.79 H new ATOM 1483 N GLU B 24 3.137 15.518 -1.895 1.00 0.38 N ATOM 1484 CA GLU B 24 2.477 15.388 -0.601 1.00 0.46 C ATOM 1485 C GLU B 24 3.482 15.083 0.501 1.00 0.40 C ATOM 1486 O GLU B 24 3.175 15.199 1.686 1.00 0.44 O ATOM 1487 CB GLU B 24 1.431 14.276 -0.659 1.00 0.57 C ATOM 1488 CG GLU B 24 0.053 14.749 -1.078 1.00 0.85 C ATOM 1489 CD GLU B 24 -0.595 15.613 -0.018 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.006 15.065 1.029 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -0.697 16.840 -0.221 1.00 1.66 O ATOM 0 H GLU B 24 2.973 14.732 -2.524 1.00 0.38 H new ATOM 0 HA GLU B 24 1.993 16.338 -0.373 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.769 13.509 -1.356 1.00 0.57 H new ATOM 0 HB3 GLU B 24 1.360 13.806 0.322 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.130 15.312 -2.008 1.00 0.85 H new ATOM 0 HG3 GLU B 24 -0.581 13.886 -1.280 1.00 0.85 H new ATOM 1498 N ILE B 25 4.682 14.699 0.104 1.00 0.36 N ATOM 1499 CA ILE B 25 5.713 14.332 1.054 1.00 0.33 C ATOM 1500 C ILE B 25 7.029 15.014 0.681 1.00 0.33 C ATOM 1501 O ILE B 25 7.310 15.234 -0.502 1.00 0.34 O ATOM 1502 CB ILE B 25 5.888 12.794 1.104 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.768 12.393 2.293 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.476 12.274 -0.201 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.869 10.898 2.500 1.00 0.28 C ATOM 0 H ILE B 25 4.966 14.634 -0.874 1.00 0.36 H new ATOM 0 HA ILE B 25 5.413 14.668 2.046 1.00 0.33 H new ATOM 0 HB ILE B 25 4.905 12.342 1.236 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.769 12.799 2.145 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.369 12.850 3.199 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.590 11.192 -0.143 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.809 12.525 -1.026 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.450 12.733 -0.369 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.508 10.692 3.359 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.875 10.488 2.680 1.00 0.28 H new ATOM 0 HD13 ILE B 25 7.297 10.436 1.610 1.00 0.28 H new ATOM 1517 N SER B 26 7.804 15.383 1.696 1.00 0.35 N ATOM 1518 CA SER B 26 9.071 16.078 1.497 1.00 0.38 C ATOM 1519 C SER B 26 10.068 15.227 0.714 1.00 0.34 C ATOM 1520 O SER B 26 9.896 14.012 0.595 1.00 0.31 O ATOM 1521 CB SER B 26 9.664 16.480 2.849 1.00 0.46 C ATOM 1522 OG SER B 26 10.796 17.317 2.687 1.00 1.47 O ATOM 0 H SER B 26 7.573 15.210 2.674 1.00 0.35 H new ATOM 0 HA SER B 26 8.871 16.973 0.908 1.00 0.38 H new ATOM 0 HB2 SER B 26 8.908 16.997 3.440 1.00 0.46 H new ATOM 0 HB3 SER B 26 9.947 15.586 3.405 1.00 0.46 H new ATOM 0 HG SER B 26 11.152 17.559 3.567 1.00 1.47 H new ATOM 1528 N GLU B 27 11.111 15.871 0.201 1.00 0.40 N ATOM 1529 CA GLU B 27 12.056 15.238 -0.720 1.00 0.45 C ATOM 1530 C GLU B 27 12.621 13.932 -0.169 1.00 0.40 C ATOM 1531 O GLU B 27 12.612 12.908 -0.857 1.00 0.44 O ATOM 1532 CB GLU B 27 13.204 16.192 -1.036 1.00 0.69 C ATOM 1533 CG GLU B 27 12.749 17.540 -1.565 1.00 0.75 C ATOM 1534 CD GLU B 27 13.906 18.397 -2.022 1.00 1.21 C ATOM 1535 OE1 GLU B 27 14.645 18.913 -1.160 1.00 1.70 O ATOM 1536 OE2 GLU B 27 14.084 18.552 -3.250 1.00 1.87 O ATOM 0 H GLU B 27 11.327 16.846 0.410 1.00 0.40 H new ATOM 0 HA GLU B 27 11.502 15.004 -1.629 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.795 16.347 -0.133 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.860 15.726 -1.771 1.00 0.69 H new ATOM 0 HG2 GLU B 27 12.062 17.388 -2.397 1.00 0.75 H new ATOM 0 HG3 GLU B 27 12.196 18.065 -0.786 1.00 0.75 H new ATOM 1543 N ASP B 28 13.086 13.962 1.079 1.00 0.38 N ATOM 1544 CA ASP B 28 13.716 12.794 1.691 1.00 0.39 C ATOM 1545 C ASP B 28 12.721 11.643 1.773 1.00 0.34 C ATOM 1546 O ASP B 28 13.036 10.503 1.428 1.00 0.38 O ATOM 1547 CB ASP B 28 14.236 13.138 3.090 1.00 0.46 C ATOM 1548 CG ASP B 28 15.084 12.032 3.691 1.00 1.00 C ATOM 1549 OD1 ASP B 28 14.519 11.085 4.279 1.00 1.64 O ATOM 1550 OD2 ASP B 28 16.325 12.108 3.582 1.00 1.84 O ATOM 0 H ASP B 28 13.038 14.781 1.685 1.00 0.38 H new ATOM 0 HA ASP B 28 14.559 12.490 1.070 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.825 14.054 3.039 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.390 13.339 3.748 1.00 0.46 H new ATOM 1555 N GLY B 29 11.511 11.962 2.215 1.00 0.30 N ATOM 1556 CA GLY B 29 10.458 10.974 2.274 1.00 0.30 C ATOM 1557 C GLY B 29 10.075 10.472 0.897 1.00 0.26 C ATOM 1558 O GLY B 29 9.876 9.274 0.704 1.00 0.24 O ATOM 0 H GLY B 29 11.242 12.893 2.534 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.782 10.134 2.889 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.583 11.405 2.759 1.00 0.30 H new ATOM 1562 N ALA B 30 9.965 11.390 -0.060 1.00 0.24 N ATOM 1563 CA ALA B 30 9.653 11.037 -1.439 1.00 0.23 C ATOM 1564 C ALA B 30 10.659 10.040 -1.997 1.00 0.22 C ATOM 1565 O ALA B 30 10.278 9.027 -2.579 1.00 0.21 O ATOM 1566 CB ALA B 30 9.611 12.285 -2.308 1.00 0.24 C ATOM 0 H ALA B 30 10.089 12.390 0.098 1.00 0.24 H new ATOM 0 HA ALA B 30 8.671 10.564 -1.449 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.377 12.005 -3.335 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.845 12.964 -1.933 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.581 12.781 -2.279 1.00 0.24 H new ATOM 1572 N ASP B 31 11.941 10.327 -1.813 1.00 0.24 N ATOM 1573 CA ASP B 31 12.994 9.428 -2.277 1.00 0.25 C ATOM 1574 C ASP B 31 12.892 8.079 -1.578 1.00 0.24 C ATOM 1575 O ASP B 31 13.089 7.030 -2.194 1.00 0.23 O ATOM 1576 CB ASP B 31 14.375 10.035 -2.039 1.00 0.31 C ATOM 1577 CG ASP B 31 15.489 9.122 -2.509 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.706 9.026 -3.736 1.00 1.47 O ATOM 1579 OD2 ASP B 31 16.153 8.494 -1.657 1.00 1.34 O ATOM 0 H ASP B 31 12.278 11.170 -1.348 1.00 0.24 H new ATOM 0 HA ASP B 31 12.860 9.282 -3.349 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.445 10.990 -2.560 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.501 10.242 -0.976 1.00 0.31 H new ATOM 1584 N SER B 32 12.554 8.116 -0.297 1.00 0.24 N ATOM 1585 CA SER B 32 12.385 6.903 0.484 1.00 0.24 C ATOM 1586 C SER B 32 11.215 6.081 -0.063 1.00 0.20 C ATOM 1587 O SER B 32 11.267 4.854 -0.100 1.00 0.23 O ATOM 1588 CB SER B 32 12.162 7.257 1.955 1.00 0.26 C ATOM 1589 OG SER B 32 12.354 6.131 2.792 1.00 0.92 O ATOM 0 H SER B 32 12.391 8.978 0.224 1.00 0.24 H new ATOM 0 HA SER B 32 13.289 6.299 0.408 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.849 8.051 2.248 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.152 7.644 2.089 1.00 0.26 H new ATOM 0 HG SER B 32 13.097 6.303 3.407 1.00 0.92 H new ATOM 1595 N LEU B 33 10.164 6.765 -0.508 1.00 0.17 N ATOM 1596 CA LEU B 33 9.028 6.093 -1.132 1.00 0.15 C ATOM 1597 C LEU B 33 9.415 5.554 -2.502 1.00 0.14 C ATOM 1598 O LEU B 33 8.945 4.495 -2.916 1.00 0.13 O ATOM 1599 CB LEU B 33 7.834 7.040 -1.270 1.00 0.16 C ATOM 1600 CG LEU B 33 7.230 7.536 0.044 1.00 0.18 C ATOM 1601 CD1 LEU B 33 6.061 8.467 -0.233 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.788 6.364 0.910 1.00 0.19 C ATOM 0 H LEU B 33 10.075 7.779 -0.449 1.00 0.17 H new ATOM 0 HA LEU B 33 8.739 5.263 -0.488 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.145 7.905 -1.856 1.00 0.16 H new ATOM 0 HB3 LEU B 33 7.055 6.533 -1.839 1.00 0.16 H new ATOM 0 HG LEU B 33 7.995 8.090 0.588 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.640 8.813 0.711 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.407 9.323 -0.812 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.296 7.933 -0.797 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.361 6.739 1.840 1.00 0.19 H new ATOM 0 HD22 LEU B 33 6.038 5.780 0.376 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.648 5.733 1.134 1.00 0.19 H new ATOM 1614 N ASN B 34 10.275 6.288 -3.199 1.00 0.15 N ATOM 1615 CA ASN B 34 10.761 5.868 -4.508 1.00 0.16 C ATOM 1616 C ASN B 34 11.480 4.530 -4.413 1.00 0.16 C ATOM 1617 O ASN B 34 11.183 3.603 -5.171 1.00 0.17 O ATOM 1618 CB ASN B 34 11.694 6.919 -5.114 1.00 0.18 C ATOM 1619 CG ASN B 34 10.955 7.961 -5.936 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.755 7.788 -7.138 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.548 9.048 -5.302 1.00 0.21 N ATOM 0 H ASN B 34 10.651 7.180 -2.878 1.00 0.15 H new ATOM 0 HA ASN B 34 9.895 5.757 -5.161 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.242 7.416 -4.313 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.432 6.423 -5.744 1.00 0.18 H new ATOM 0 HD21 ASN B 34 10.050 9.778 -5.810 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.732 9.156 -4.305 1.00 0.21 H new ATOM 1628 N VAL B 35 12.405 4.419 -3.465 1.00 0.18 N ATOM 1629 CA VAL B 35 13.142 3.177 -3.274 1.00 0.20 C ATOM 1630 C VAL B 35 12.237 2.100 -2.678 1.00 0.18 C ATOM 1631 O VAL B 35 12.416 0.912 -2.945 1.00 0.21 O ATOM 1632 CB VAL B 35 14.399 3.368 -2.388 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.321 4.415 -2.991 1.00 0.26 C ATOM 1634 CG2 VAL B 35 14.026 3.748 -0.964 1.00 0.23 C ATOM 0 H VAL B 35 12.660 5.168 -2.822 1.00 0.18 H new ATOM 0 HA VAL B 35 13.482 2.856 -4.259 1.00 0.20 H new ATOM 0 HB VAL B 35 14.925 2.414 -2.351 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.198 4.536 -2.356 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.634 4.095 -3.985 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.793 5.366 -3.065 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.932 3.874 -0.372 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.465 4.683 -0.972 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.413 2.961 -0.526 1.00 0.23 H new ATOM 1644 N ALA B 36 11.250 2.523 -1.888 1.00 0.17 N ATOM 1645 CA ALA B 36 10.276 1.599 -1.320 1.00 0.17 C ATOM 1646 C ALA B 36 9.473 0.928 -2.425 1.00 0.15 C ATOM 1647 O ALA B 36 9.383 -0.297 -2.476 1.00 0.16 O ATOM 1648 CB ALA B 36 9.349 2.318 -0.349 1.00 0.18 C ATOM 0 H ALA B 36 11.106 3.499 -1.629 1.00 0.17 H new ATOM 0 HA ALA B 36 10.817 0.831 -0.768 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.631 1.608 0.062 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.936 2.751 0.461 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.816 3.110 -0.874 1.00 0.18 H new ATOM 1654 N MET B 37 8.903 1.736 -3.319 1.00 0.14 N ATOM 1655 CA MET B 37 8.140 1.225 -4.447 1.00 0.15 C ATOM 1656 C MET B 37 8.993 0.313 -5.314 1.00 0.15 C ATOM 1657 O MET B 37 8.502 -0.681 -5.852 1.00 0.18 O ATOM 1658 CB MET B 37 7.605 2.380 -5.290 1.00 0.16 C ATOM 1659 CG MET B 37 6.506 3.177 -4.615 1.00 0.16 C ATOM 1660 SD MET B 37 5.880 4.513 -5.652 1.00 0.21 S ATOM 1661 CE MET B 37 7.319 5.574 -5.765 1.00 0.19 C ATOM 0 H MET B 37 8.959 2.754 -3.279 1.00 0.14 H new ATOM 0 HA MET B 37 7.304 0.647 -4.052 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.429 3.051 -5.534 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.227 1.984 -6.232 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.685 2.509 -4.355 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.885 3.594 -3.682 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.037 6.522 -6.223 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.715 5.757 -4.766 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.081 5.089 -6.375 1.00 0.19 H new ATOM 1671 N ASP B 38 10.268 0.658 -5.445 1.00 0.18 N ATOM 1672 CA ASP B 38 11.209 -0.152 -6.208 1.00 0.23 C ATOM 1673 C ASP B 38 11.310 -1.549 -5.610 1.00 0.19 C ATOM 1674 O ASP B 38 11.193 -2.547 -6.319 1.00 0.23 O ATOM 1675 CB ASP B 38 12.589 0.511 -6.229 1.00 0.34 C ATOM 1676 CG ASP B 38 13.588 -0.255 -7.072 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.610 -0.049 -8.304 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.361 -1.059 -6.506 1.00 1.42 O ATOM 0 H ASP B 38 10.675 1.497 -5.031 1.00 0.18 H new ATOM 0 HA ASP B 38 10.844 -0.233 -7.232 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.495 1.526 -6.615 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.965 0.592 -5.209 1.00 0.34 H new ATOM 1683 N CYS B 39 11.497 -1.610 -4.295 1.00 0.18 N ATOM 1684 CA CYS B 39 11.583 -2.881 -3.585 1.00 0.18 C ATOM 1685 C CYS B 39 10.263 -3.644 -3.662 1.00 0.16 C ATOM 1686 O CYS B 39 10.252 -4.864 -3.795 1.00 0.19 O ATOM 1687 CB CYS B 39 11.974 -2.649 -2.126 1.00 0.21 C ATOM 1688 SG CYS B 39 13.594 -1.875 -1.921 1.00 0.27 S ATOM 0 H CYS B 39 11.592 -0.789 -3.697 1.00 0.18 H new ATOM 0 HA CYS B 39 12.353 -3.484 -4.066 1.00 0.18 H new ATOM 0 HB2 CYS B 39 11.219 -2.021 -1.652 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.969 -3.605 -1.602 1.00 0.21 H new ATOM 0 HG CYS B 39 13.529 -0.629 -2.288 1.00 0.27 H new ATOM 1694 N ILE B 40 9.148 -2.924 -3.598 1.00 0.14 N ATOM 1695 CA ILE B 40 7.834 -3.549 -3.698 1.00 0.14 C ATOM 1696 C ILE B 40 7.656 -4.189 -5.073 1.00 0.16 C ATOM 1697 O ILE B 40 7.245 -5.346 -5.186 1.00 0.16 O ATOM 1698 CB ILE B 40 6.697 -2.530 -3.455 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.816 -1.922 -2.055 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.338 -3.194 -3.630 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.823 -0.809 -1.786 1.00 0.16 C ATOM 0 H ILE B 40 9.127 -1.911 -3.478 1.00 0.14 H new ATOM 0 HA ILE B 40 7.778 -4.315 -2.925 1.00 0.14 H new ATOM 0 HB ILE B 40 6.788 -1.731 -4.191 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.675 -2.709 -1.314 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.826 -1.535 -1.921 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.550 -2.462 -3.455 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.252 -3.585 -4.644 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.238 -4.012 -2.916 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.968 -0.428 -0.775 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.977 -0.003 -2.503 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.808 -1.195 -1.886 1.00 0.16 H new ATOM 1713 N SER B 41 7.993 -3.433 -6.110 1.00 0.21 N ATOM 1714 CA SER B 41 7.896 -3.917 -7.480 1.00 0.28 C ATOM 1715 C SER B 41 8.849 -5.088 -7.695 1.00 0.30 C ATOM 1716 O SER B 41 8.511 -6.060 -8.370 1.00 0.34 O ATOM 1717 CB SER B 41 8.216 -2.782 -8.453 1.00 0.37 C ATOM 1718 OG SER B 41 7.432 -1.637 -8.162 1.00 1.13 O ATOM 0 H SER B 41 8.338 -2.477 -6.027 1.00 0.21 H new ATOM 0 HA SER B 41 6.879 -4.263 -7.664 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.275 -2.530 -8.390 1.00 0.37 H new ATOM 0 HB3 SER B 41 8.026 -3.108 -9.476 1.00 0.37 H new ATOM 0 HG SER B 41 7.828 -1.153 -7.407 1.00 1.13 H new ATOM 1724 N GLU B 42 10.033 -4.983 -7.103 1.00 0.32 N ATOM 1725 CA GLU B 42 11.029 -6.043 -7.153 1.00 0.38 C ATOM 1726 C GLU B 42 10.496 -7.321 -6.509 1.00 0.32 C ATOM 1727 O GLU B 42 10.580 -8.405 -7.090 1.00 0.44 O ATOM 1728 CB GLU B 42 12.292 -5.594 -6.417 1.00 0.46 C ATOM 1729 CG GLU B 42 13.387 -6.644 -6.379 1.00 0.60 C ATOM 1730 CD GLU B 42 14.346 -6.424 -5.233 1.00 1.45 C ATOM 1731 OE1 GLU B 42 15.346 -5.701 -5.410 1.00 2.00 O ATOM 1732 OE2 GLU B 42 14.103 -6.977 -4.140 1.00 2.23 O ATOM 0 H GLU B 42 10.328 -4.161 -6.576 1.00 0.32 H new ATOM 0 HA GLU B 42 11.260 -6.249 -8.198 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.680 -4.695 -6.897 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.028 -5.321 -5.395 1.00 0.46 H new ATOM 0 HG2 GLU B 42 12.937 -7.633 -6.290 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.937 -6.628 -7.320 1.00 0.60 H new ATOM 1739 N ALA B 43 9.939 -7.171 -5.311 1.00 0.19 N ATOM 1740 CA ALA B 43 9.457 -8.296 -4.518 1.00 0.17 C ATOM 1741 C ALA B 43 8.474 -9.164 -5.289 1.00 0.17 C ATOM 1742 O ALA B 43 8.652 -10.379 -5.389 1.00 0.25 O ATOM 1743 CB ALA B 43 8.815 -7.793 -3.234 1.00 0.20 C ATOM 0 H ALA B 43 9.809 -6.264 -4.862 1.00 0.19 H new ATOM 0 HA ALA B 43 10.319 -8.917 -4.277 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.458 -8.641 -2.649 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.550 -7.235 -2.654 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.976 -7.142 -3.478 1.00 0.20 H new ATOM 1749 N PHE B 44 7.441 -8.546 -5.841 1.00 0.19 N ATOM 1750 CA PHE B 44 6.406 -9.296 -6.540 1.00 0.25 C ATOM 1751 C PHE B 44 6.737 -9.461 -8.021 1.00 0.30 C ATOM 1752 O PHE B 44 6.023 -10.141 -8.756 1.00 0.35 O ATOM 1753 CB PHE B 44 5.045 -8.625 -6.366 1.00 0.27 C ATOM 1754 CG PHE B 44 4.600 -8.535 -4.935 1.00 0.26 C ATOM 1755 CD1 PHE B 44 4.104 -9.647 -4.280 1.00 1.10 C ATOM 1756 CD2 PHE B 44 4.681 -7.336 -4.247 1.00 1.15 C ATOM 1757 CE1 PHE B 44 3.694 -9.566 -2.964 1.00 1.12 C ATOM 1758 CE2 PHE B 44 4.272 -7.250 -2.931 1.00 1.15 C ATOM 1759 CZ PHE B 44 3.777 -8.367 -2.289 1.00 0.31 C ATOM 0 H PHE B 44 7.296 -7.537 -5.820 1.00 0.19 H new ATOM 0 HA PHE B 44 6.363 -10.291 -6.097 1.00 0.25 H new ATOM 0 HB2 PHE B 44 5.087 -7.621 -6.789 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.300 -9.180 -6.936 1.00 0.27 H new ATOM 0 HD1 PHE B 44 4.037 -10.589 -4.803 1.00 1.10 H new ATOM 0 HD2 PHE B 44 5.068 -6.459 -4.745 1.00 1.15 H new ATOM 0 HE1 PHE B 44 3.308 -10.442 -2.464 1.00 1.12 H new ATOM 0 HE2 PHE B 44 4.339 -6.309 -2.404 1.00 1.15 H new ATOM 0 HZ PHE B 44 3.455 -8.302 -1.260 1.00 0.31 H new ATOM 1769 N GLY B 45 7.832 -8.835 -8.442 1.00 0.29 N ATOM 1770 CA GLY B 45 8.310 -8.975 -9.804 1.00 0.35 C ATOM 1771 C GLY B 45 7.392 -8.344 -10.833 1.00 0.37 C ATOM 1772 O GLY B 45 7.066 -8.972 -11.840 1.00 0.43 O ATOM 0 H GLY B 45 8.402 -8.226 -7.855 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.298 -8.521 -9.883 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.427 -10.034 -10.033 1.00 0.35 H new ATOM 1776 N PHE B 46 6.986 -7.104 -10.603 1.00 0.36 N ATOM 1777 CA PHE B 46 6.091 -6.422 -11.531 1.00 0.39 C ATOM 1778 C PHE B 46 6.569 -4.999 -11.794 1.00 0.39 C ATOM 1779 O PHE B 46 7.505 -4.519 -11.152 1.00 0.40 O ATOM 1780 CB PHE B 46 4.649 -6.417 -10.995 1.00 0.36 C ATOM 1781 CG PHE B 46 4.411 -5.524 -9.805 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.866 -5.879 -8.547 1.00 1.27 C ATOM 1783 CD2 PHE B 46 3.712 -4.336 -9.946 1.00 1.17 C ATOM 1784 CE1 PHE B 46 4.631 -5.066 -7.454 1.00 1.26 C ATOM 1785 CE2 PHE B 46 3.476 -3.517 -8.859 1.00 1.17 C ATOM 1786 CZ PHE B 46 3.936 -3.883 -7.610 1.00 0.21 C ATOM 0 H PHE B 46 7.258 -6.552 -9.790 1.00 0.36 H new ATOM 0 HA PHE B 46 6.103 -6.967 -12.475 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.980 -6.110 -11.799 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.375 -7.437 -10.725 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.411 -6.802 -8.418 1.00 1.27 H new ATOM 0 HD2 PHE B 46 3.346 -4.046 -10.920 1.00 1.17 H new ATOM 0 HE1 PHE B 46 4.991 -5.356 -6.478 1.00 1.26 H new ATOM 0 HE2 PHE B 46 2.933 -2.592 -8.986 1.00 1.17 H new ATOM 0 HZ PHE B 46 3.753 -3.246 -6.757 1.00 0.21 H new ATOM 1796 N GLU B 47 5.926 -4.342 -12.750 1.00 0.41 N ATOM 1797 CA GLU B 47 6.250 -2.966 -13.103 1.00 0.44 C ATOM 1798 C GLU B 47 5.222 -2.026 -12.498 1.00 0.40 C ATOM 1799 O GLU B 47 4.064 -2.399 -12.313 1.00 0.39 O ATOM 1800 CB GLU B 47 6.257 -2.788 -14.621 1.00 0.53 C ATOM 1801 CG GLU B 47 7.309 -3.611 -15.341 1.00 0.59 C ATOM 1802 CD GLU B 47 7.310 -3.354 -16.832 1.00 1.14 C ATOM 1803 OE1 GLU B 47 7.865 -2.325 -17.264 1.00 1.55 O ATOM 1804 OE2 GLU B 47 6.740 -4.168 -17.583 1.00 1.92 O ATOM 0 H GLU B 47 5.168 -4.746 -13.301 1.00 0.41 H new ATOM 0 HA GLU B 47 7.241 -2.735 -12.713 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.275 -3.054 -15.011 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.416 -1.735 -14.851 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.293 -3.379 -14.933 1.00 0.59 H new ATOM 0 HG3 GLU B 47 7.129 -4.670 -15.156 1.00 0.59 H new ATOM 1811 N ARG B 48 5.629 -0.789 -12.242 1.00 0.41 N ATOM 1812 CA ARG B 48 4.761 0.186 -11.598 1.00 0.40 C ATOM 1813 C ARG B 48 3.788 0.770 -12.609 1.00 0.41 C ATOM 1814 O ARG B 48 2.790 1.386 -12.247 1.00 0.43 O ATOM 1815 CB ARG B 48 5.594 1.305 -10.973 1.00 0.44 C ATOM 1816 CG ARG B 48 6.372 0.877 -9.742 1.00 0.61 C ATOM 1817 CD ARG B 48 7.327 1.967 -9.286 1.00 0.91 C ATOM 1818 NE ARG B 48 6.652 3.256 -9.126 1.00 1.19 N ATOM 1819 CZ ARG B 48 7.262 4.434 -9.258 1.00 1.88 C ATOM 1820 NH1 ARG B 48 8.571 4.487 -9.483 1.00 2.57 N ATOM 1821 NH2 ARG B 48 6.565 5.557 -9.143 1.00 2.20 N ATOM 0 H ARG B 48 6.558 -0.437 -12.472 1.00 0.41 H new ATOM 0 HA ARG B 48 4.197 -0.316 -10.812 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.293 1.685 -11.719 1.00 0.44 H new ATOM 0 HB3 ARG B 48 4.934 2.130 -10.705 1.00 0.44 H new ATOM 0 HG2 ARG B 48 5.678 0.638 -8.936 1.00 0.61 H new ATOM 0 HG3 ARG B 48 6.932 -0.032 -9.961 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.783 1.677 -8.340 1.00 0.91 H new ATOM 0 HD3 ARG B 48 8.134 2.068 -10.011 1.00 0.91 H new ATOM 0 HE ARG B 48 5.657 3.253 -8.900 1.00 1.19 H new ATOM 0 HH11 ARG B 48 9.111 3.625 -9.555 1.00 2.57 H new ATOM 0 HH12 ARG B 48 9.035 5.390 -9.584 1.00 2.57 H new ATOM 0 HH21 ARG B 48 5.563 5.519 -8.954 1.00 2.20 H new ATOM 0 HH22 ARG B 48 7.031 6.459 -9.244 1.00 2.20 H new ATOM 1835 N GLU B 49 4.097 0.575 -13.882 1.00 0.42 N ATOM 1836 CA GLU B 49 3.247 1.055 -14.960 1.00 0.46 C ATOM 1837 C GLU B 49 2.132 0.053 -15.238 1.00 0.43 C ATOM 1838 O GLU B 49 1.139 0.376 -15.889 1.00 0.46 O ATOM 1839 CB GLU B 49 4.079 1.276 -16.224 1.00 0.57 C ATOM 1840 CG GLU B 49 5.251 2.222 -16.021 1.00 1.14 C ATOM 1841 CD GLU B 49 6.094 2.379 -17.267 1.00 1.54 C ATOM 1842 OE1 GLU B 49 7.013 1.557 -17.478 1.00 2.24 O ATOM 1843 OE2 GLU B 49 5.849 3.329 -18.039 1.00 2.04 O ATOM 0 H GLU B 49 4.935 0.085 -14.195 1.00 0.42 H new ATOM 0 HA GLU B 49 2.800 2.003 -14.659 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.455 0.315 -16.575 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.435 1.672 -17.009 1.00 0.57 H new ATOM 0 HG2 GLU B 49 4.876 3.199 -15.715 1.00 1.14 H new ATOM 0 HG3 GLU B 49 5.876 1.851 -15.208 1.00 1.14 H new ATOM 1850 N ALA B 50 2.297 -1.158 -14.719 1.00 0.41 N ATOM 1851 CA ALA B 50 1.351 -2.236 -14.967 1.00 0.42 C ATOM 1852 C ALA B 50 0.206 -2.214 -13.962 1.00 0.37 C ATOM 1853 O ALA B 50 -0.690 -3.057 -14.016 1.00 0.41 O ATOM 1854 CB ALA B 50 2.065 -3.579 -14.920 1.00 0.48 C ATOM 0 H ALA B 50 3.082 -1.417 -14.121 1.00 0.41 H new ATOM 0 HA ALA B 50 0.927 -2.089 -15.960 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.348 -4.379 -15.107 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.844 -3.604 -15.682 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.515 -3.717 -13.937 1.00 0.48 H new ATOM 1860 N VAL B 51 0.251 -1.252 -13.041 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.783 -1.112 -12.017 1.00 0.31 C ATOM 1862 C VAL B 51 -2.188 -1.118 -12.615 1.00 0.36 C ATOM 1863 O VAL B 51 -3.079 -1.770 -12.085 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.598 0.163 -11.163 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.670 0.068 -10.335 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.580 1.416 -12.026 1.00 0.33 C ATOM 0 H VAL B 51 0.995 -0.556 -12.983 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.671 -1.982 -11.370 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.452 0.238 -10.490 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.785 0.974 -9.740 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.608 -0.796 -9.673 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.529 -0.043 -10.997 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.448 2.293 -11.392 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.243 1.356 -12.738 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.522 1.498 -12.568 1.00 0.33 H new ATOM 1876 N SER B 52 -2.372 -0.421 -13.730 1.00 0.37 N ATOM 1877 CA SER B 52 -3.672 -0.342 -14.383 1.00 0.45 C ATOM 1878 C SER B 52 -4.148 -1.727 -14.816 1.00 0.47 C ATOM 1879 O SER B 52 -5.284 -2.120 -14.548 1.00 0.50 O ATOM 1880 CB SER B 52 -3.572 0.593 -15.587 1.00 0.53 C ATOM 1881 OG SER B 52 -2.396 0.323 -16.331 1.00 1.25 O ATOM 0 H SER B 52 -1.633 0.100 -14.202 1.00 0.37 H new ATOM 0 HA SER B 52 -4.403 0.053 -13.678 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.448 0.470 -16.224 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.566 1.630 -15.250 1.00 0.53 H new ATOM 0 HG SER B 52 -2.349 0.929 -17.099 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.258 -2.453 -15.484 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.548 -3.809 -15.911 1.00 0.57 C ATOM 1889 C GLY B 53 -3.960 -4.716 -14.765 1.00 0.54 C ATOM 1890 O GLY B 53 -4.879 -5.522 -14.905 1.00 0.59 O ATOM 0 H GLY B 53 -2.328 -2.120 -15.740 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.345 -3.787 -16.655 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.667 -4.227 -16.399 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.275 -4.598 -13.633 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.590 -5.415 -12.465 1.00 0.51 C ATOM 1896 C ILE B 54 -4.879 -4.933 -11.795 1.00 0.50 C ATOM 1897 O ILE B 54 -5.754 -5.733 -11.464 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.438 -5.404 -11.432 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.100 -5.692 -12.122 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.700 -6.436 -10.339 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.095 -5.601 -11.198 1.00 0.48 C ATOM 0 H ILE B 54 -2.501 -3.948 -13.499 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.727 -6.437 -12.819 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.389 -4.415 -10.976 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.135 -6.690 -12.559 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.967 -4.988 -12.944 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.882 -6.418 -9.618 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.636 -6.200 -9.832 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.770 -7.428 -10.785 1.00 0.55 H new ATOM 0 HD11 ILE B 54 1.005 -5.817 -11.758 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.156 -4.596 -10.780 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.014 -6.324 -10.390 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.987 -3.620 -11.608 1.00 0.46 N ATOM 1914 CA LEU B 55 -6.171 -3.019 -10.991 1.00 0.48 C ATOM 1915 C LEU B 55 -7.440 -3.364 -11.770 1.00 0.55 C ATOM 1916 O LEU B 55 -8.479 -3.652 -11.176 1.00 0.65 O ATOM 1917 CB LEU B 55 -6.024 -1.496 -10.882 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.926 -1.000 -9.936 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.910 0.520 -9.892 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -5.117 -1.573 -8.540 1.00 0.45 C ATOM 0 H LEU B 55 -4.267 -2.948 -11.875 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.258 -3.435 -9.987 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.828 -1.096 -11.877 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.976 -1.080 -10.553 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.965 -1.346 -10.316 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -4.124 0.856 -9.215 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.720 0.911 -10.892 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.874 0.884 -9.537 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -4.326 -1.207 -7.885 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -6.085 -1.262 -8.148 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -5.077 -2.661 -8.585 1.00 0.45 H new