USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -3.09 K(o=-6.5,f=-24!) USER MOD Set 1.2: A 69 MET CE :methyl 178:sc= -3.4! (180deg=-2.55) USER MOD Set 2.1: A 8 SER OG : rot -139:sc= 1.22 USER MOD Set 2.2: A 16 ASN : amide:sc= -0.961 K(o=0.26,f=-6.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.85 K(o=-1.9,f=-5.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0982) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.266 (180deg=-0.756) USER MOD Single : A 35 ASN : amide:sc= -0.176 K(o=-0.18,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.127) USER MOD Single : A 38 SER OG : rot 18:sc= 0.505 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 49 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.88) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.216 USER MOD Single : A 67 ASN : amide:sc= 0.341 X(o=0.34,f=-0.082) USER MOD Single : A 70 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.1) USER MOD Single : A 73 SER OG : rot -42:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.602 -0.929 -0.015 1.00 11.34 N ATOM 19 CA LYS A 2 2.611 -1.976 -1.029 1.00 42.01 C ATOM 20 C LYS A 2 3.391 -3.195 -0.546 1.00 13.23 C ATOM 21 O LYS A 2 4.464 -3.064 0.043 1.00 62.12 O ATOM 22 CB LYS A 2 3.222 -1.449 -2.330 1.00 23.44 C ATOM 23 CG LYS A 2 3.490 -2.534 -3.358 1.00 64.15 C ATOM 24 CD LYS A 2 2.214 -3.259 -3.750 1.00 32.43 C ATOM 25 CE LYS A 2 2.183 -3.570 -5.238 1.00 63.43 C ATOM 26 NZ LYS A 2 0.826 -3.372 -5.819 1.00 5.42 N ATOM 0 HA LYS A 2 1.580 -2.277 -1.214 1.00 42.01 H new ATOM 0 HB2 LYS A 2 2.550 -0.708 -2.763 1.00 23.44 H new ATOM 0 HB3 LYS A 2 4.157 -0.937 -2.102 1.00 23.44 H new ATOM 0 HG2 LYS A 2 3.945 -2.092 -4.244 1.00 64.15 H new ATOM 0 HG3 LYS A 2 4.207 -3.249 -2.955 1.00 64.15 H new ATOM 0 HD2 LYS A 2 2.132 -4.186 -3.182 1.00 32.43 H new ATOM 0 HD3 LYS A 2 1.351 -2.647 -3.487 1.00 32.43 H new ATOM 0 HE2 LYS A 2 2.897 -2.931 -5.757 1.00 63.43 H new ATOM 0 HE3 LYS A 2 2.501 -4.600 -5.400 1.00 63.43 H new ATOM 0 HZ1 LYS A 2 0.847 -3.594 -6.835 1.00 5.42 H new ATOM 0 HZ2 LYS A 2 0.149 -4.000 -5.341 1.00 5.42 H new ATOM 0 HZ3 LYS A 2 0.533 -2.383 -5.687 1.00 5.42 H new ATOM 40 N PHE A 3 2.844 -4.379 -0.799 1.00 65.40 N ATOM 41 CA PHE A 3 3.489 -5.622 -0.390 1.00 43.20 C ATOM 42 C PHE A 3 3.199 -6.739 -1.388 1.00 32.35 C ATOM 43 O PHE A 3 2.210 -6.691 -2.119 1.00 52.45 O ATOM 44 CB PHE A 3 3.014 -6.032 1.005 1.00 25.24 C ATOM 45 CG PHE A 3 1.683 -6.727 1.005 1.00 31.22 C ATOM 46 CD1 PHE A 3 1.604 -8.101 0.842 1.00 54.22 C ATOM 47 CD2 PHE A 3 0.511 -6.007 1.169 1.00 73.01 C ATOM 48 CE1 PHE A 3 0.380 -8.743 0.840 1.00 14.45 C ATOM 49 CE2 PHE A 3 -0.716 -6.643 1.169 1.00 74.41 C ATOM 50 CZ PHE A 3 -0.782 -8.013 1.005 1.00 23.24 C ATOM 0 H PHE A 3 1.956 -4.504 -1.285 1.00 65.40 H new ATOM 0 HA PHE A 3 4.565 -5.453 -0.364 1.00 43.20 H new ATOM 0 HB2 PHE A 3 3.758 -6.689 1.455 1.00 25.24 H new ATOM 0 HB3 PHE A 3 2.951 -5.144 1.634 1.00 25.24 H new ATOM 0 HD1 PHE A 3 2.509 -8.677 0.715 1.00 54.22 H new ATOM 0 HD2 PHE A 3 0.557 -4.936 1.298 1.00 73.01 H new ATOM 0 HE1 PHE A 3 0.332 -9.814 0.710 1.00 14.45 H new ATOM 0 HE2 PHE A 3 -1.622 -6.070 1.297 1.00 74.41 H new ATOM 0 HZ PHE A 3 -1.739 -8.513 1.006 1.00 23.24 H new ATOM 60 N ILE A 4 4.068 -7.744 -1.410 1.00 72.25 N ATOM 61 CA ILE A 4 3.905 -8.874 -2.317 1.00 52.10 C ATOM 62 C ILE A 4 3.796 -10.186 -1.547 1.00 13.51 C ATOM 63 O ILE A 4 4.232 -10.283 -0.400 1.00 24.41 O ATOM 64 CB ILE A 4 5.077 -8.971 -3.311 1.00 72.44 C ATOM 65 CG1 ILE A 4 5.345 -7.608 -3.952 1.00 62.23 C ATOM 66 CG2 ILE A 4 4.781 -10.015 -4.378 1.00 20.20 C ATOM 67 CD1 ILE A 4 4.209 -7.114 -4.819 1.00 54.14 C ATOM 0 H ILE A 4 4.892 -7.799 -0.811 1.00 72.25 H new ATOM 0 HA ILE A 4 2.982 -8.703 -2.871 1.00 52.10 H new ATOM 0 HB ILE A 4 5.971 -9.278 -2.768 1.00 72.44 H new ATOM 0 HG12 ILE A 4 5.536 -6.877 -3.166 1.00 62.23 H new ATOM 0 HG13 ILE A 4 6.251 -7.671 -4.555 1.00 62.23 H new ATOM 0 HG21 ILE A 4 5.618 -10.072 -5.073 1.00 20.20 H new ATOM 0 HG22 ILE A 4 4.634 -10.986 -3.906 1.00 20.20 H new ATOM 0 HG23 ILE A 4 3.878 -9.735 -4.920 1.00 20.20 H new ATOM 0 HD11 ILE A 4 4.469 -6.143 -5.240 1.00 54.14 H new ATOM 0 HD12 ILE A 4 4.032 -7.824 -5.627 1.00 54.14 H new ATOM 0 HD13 ILE A 4 3.306 -7.018 -4.216 1.00 54.14 H new ATOM 79 N LYS A 5 3.211 -11.193 -2.186 1.00 23.43 N ATOM 80 CA LYS A 5 3.047 -12.502 -1.563 1.00 52.35 C ATOM 81 C LYS A 5 4.387 -13.222 -1.448 1.00 14.41 C ATOM 82 O LYS A 5 5.415 -12.715 -1.897 1.00 60.33 O ATOM 83 CB LYS A 5 2.066 -13.354 -2.372 1.00 31.13 C ATOM 84 CG LYS A 5 2.642 -13.868 -3.680 1.00 34.21 C ATOM 85 CD LYS A 5 1.569 -14.501 -4.550 1.00 62.44 C ATOM 86 CE LYS A 5 1.840 -14.265 -6.028 1.00 73.14 C ATOM 87 NZ LYS A 5 0.732 -14.774 -6.883 1.00 72.24 N ATOM 0 H LYS A 5 2.842 -11.128 -3.135 1.00 23.43 H new ATOM 0 HA LYS A 5 2.648 -12.352 -0.560 1.00 52.35 H new ATOM 0 HB2 LYS A 5 1.749 -14.203 -1.766 1.00 31.13 H new ATOM 0 HB3 LYS A 5 1.175 -12.764 -2.584 1.00 31.13 H new ATOM 0 HG2 LYS A 5 3.112 -13.046 -4.220 1.00 34.21 H new ATOM 0 HG3 LYS A 5 3.422 -14.600 -3.472 1.00 34.21 H new ATOM 0 HD2 LYS A 5 1.525 -15.572 -4.353 1.00 62.44 H new ATOM 0 HD3 LYS A 5 0.595 -14.088 -4.287 1.00 62.44 H new ATOM 0 HE2 LYS A 5 1.976 -13.198 -6.207 1.00 73.14 H new ATOM 0 HE3 LYS A 5 2.771 -14.757 -6.310 1.00 73.14 H new ATOM 0 HZ1 LYS A 5 0.954 -14.594 -7.883 1.00 72.24 H new ATOM 0 HZ2 LYS A 5 0.619 -15.797 -6.732 1.00 72.24 H new ATOM 0 HZ3 LYS A 5 -0.152 -14.287 -6.632 1.00 72.24 H new ATOM 101 N TYR A 6 4.367 -14.405 -0.845 1.00 10.13 N ATOM 102 CA TYR A 6 5.581 -15.194 -0.670 1.00 13.24 C ATOM 103 C TYR A 6 6.010 -15.833 -1.987 1.00 35.12 C ATOM 104 O TYR A 6 5.197 -16.021 -2.893 1.00 50.33 O ATOM 105 CB TYR A 6 5.362 -16.277 0.388 1.00 0.44 C ATOM 106 CG TYR A 6 5.007 -15.728 1.752 1.00 64.00 C ATOM 107 CD1 TYR A 6 5.911 -14.949 2.465 1.00 34.44 C ATOM 108 CD2 TYR A 6 3.770 -15.989 2.327 1.00 1.15 C ATOM 109 CE1 TYR A 6 5.591 -14.447 3.712 1.00 44.51 C ATOM 110 CE2 TYR A 6 3.442 -15.489 3.573 1.00 52.03 C ATOM 111 CZ TYR A 6 4.356 -14.719 4.261 1.00 13.30 C ATOM 112 OH TYR A 6 4.033 -14.220 5.502 1.00 20.03 O ATOM 0 H TYR A 6 3.524 -14.839 -0.469 1.00 10.13 H new ATOM 0 HA TYR A 6 6.374 -14.525 -0.337 1.00 13.24 H new ATOM 0 HB2 TYR A 6 4.566 -16.943 0.055 1.00 0.44 H new ATOM 0 HB3 TYR A 6 6.267 -16.879 0.472 1.00 0.44 H new ATOM 0 HD1 TYR A 6 6.879 -14.733 2.037 1.00 34.44 H new ATOM 0 HD2 TYR A 6 3.052 -16.593 1.791 1.00 1.15 H new ATOM 0 HE1 TYR A 6 6.305 -13.844 4.254 1.00 44.51 H new ATOM 0 HE2 TYR A 6 2.475 -15.700 4.005 1.00 52.03 H new ATOM 0 HH TYR A 6 3.126 -14.503 5.742 1.00 20.03 H new ATOM 122 N LEU A 7 7.292 -16.166 -2.085 1.00 33.30 N ATOM 123 CA LEU A 7 7.831 -16.786 -3.291 1.00 0.15 C ATOM 124 C LEU A 7 8.375 -18.179 -2.990 1.00 73.13 C ATOM 125 O LEU A 7 9.586 -18.397 -2.991 1.00 2.02 O ATOM 126 CB LEU A 7 8.936 -15.912 -3.886 1.00 64.10 C ATOM 127 CG LEU A 7 8.720 -14.401 -3.795 1.00 30.22 C ATOM 128 CD1 LEU A 7 9.946 -13.655 -4.298 1.00 72.02 C ATOM 129 CD2 LEU A 7 7.483 -13.991 -4.581 1.00 64.12 C ATOM 0 H LEU A 7 7.978 -16.017 -1.345 1.00 33.30 H new ATOM 0 HA LEU A 7 7.022 -16.881 -4.015 1.00 0.15 H new ATOM 0 HB2 LEU A 7 9.873 -16.155 -3.385 1.00 64.10 H new ATOM 0 HB3 LEU A 7 9.057 -16.179 -4.936 1.00 64.10 H new ATOM 0 HG LEU A 7 8.565 -14.138 -2.749 1.00 30.22 H new ATOM 0 HD11 LEU A 7 9.774 -12.581 -4.226 1.00 72.02 H new ATOM 0 HD12 LEU A 7 10.811 -13.925 -3.692 1.00 72.02 H new ATOM 0 HD13 LEU A 7 10.134 -13.923 -5.338 1.00 72.02 H new ATOM 0 HD21 LEU A 7 7.345 -12.912 -4.505 1.00 64.12 H new ATOM 0 HD22 LEU A 7 7.609 -14.268 -5.628 1.00 64.12 H new ATOM 0 HD23 LEU A 7 6.608 -14.498 -4.174 1.00 64.12 H new ATOM 141 N SER A 8 7.470 -19.120 -2.736 1.00 44.51 N ATOM 142 CA SER A 8 7.859 -20.492 -2.433 1.00 1.23 C ATOM 143 C SER A 8 7.113 -21.478 -3.327 1.00 5.13 C ATOM 144 O SER A 8 6.428 -21.084 -4.271 1.00 2.40 O ATOM 145 CB SER A 8 7.582 -20.809 -0.962 1.00 25.40 C ATOM 146 OG SER A 8 6.190 -20.862 -0.705 1.00 31.02 O ATOM 0 H SER A 8 6.463 -18.957 -2.734 1.00 44.51 H new ATOM 0 HA SER A 8 8.927 -20.592 -2.624 1.00 1.23 H new ATOM 0 HB2 SER A 8 8.040 -21.763 -0.700 1.00 25.40 H new ATOM 0 HB3 SER A 8 8.043 -20.050 -0.330 1.00 25.40 H new ATOM 0 HG SER A 8 6.000 -20.433 0.155 1.00 31.02 H new ATOM 247 N MET A 15 9.951 -22.488 4.046 1.00 30.31 N ATOM 248 CA MET A 15 10.692 -21.714 3.058 1.00 45.51 C ATOM 249 C MET A 15 9.771 -20.746 2.323 1.00 54.41 C ATOM 250 O MET A 15 8.881 -21.163 1.582 1.00 4.41 O ATOM 251 CB MET A 15 11.376 -22.646 2.056 1.00 52.23 C ATOM 252 CG MET A 15 12.877 -22.430 1.951 1.00 31.30 C ATOM 253 SD MET A 15 13.824 -23.751 2.732 1.00 3.53 S ATOM 254 CE MET A 15 15.487 -23.099 2.598 1.00 64.13 C ATOM 0 HA MET A 15 11.453 -21.136 3.583 1.00 45.51 H new ATOM 0 HB2 MET A 15 11.185 -23.680 2.345 1.00 52.23 H new ATOM 0 HB3 MET A 15 10.927 -22.502 1.073 1.00 52.23 H new ATOM 0 HG2 MET A 15 13.158 -22.359 0.900 1.00 31.30 H new ATOM 0 HG3 MET A 15 13.137 -21.479 2.415 1.00 31.30 H new ATOM 0 HE1 MET A 15 16.191 -23.805 3.039 1.00 64.13 H new ATOM 0 HE2 MET A 15 15.735 -22.947 1.547 1.00 64.13 H new ATOM 0 HE3 MET A 15 15.548 -22.148 3.126 1.00 64.13 H new ATOM 264 N ASN A 16 9.989 -19.452 2.533 1.00 4.35 N ATOM 265 CA ASN A 16 9.177 -18.425 1.891 1.00 1.31 C ATOM 266 C ASN A 16 9.950 -17.114 1.774 1.00 71.54 C ATOM 267 O ASN A 16 10.834 -16.829 2.582 1.00 70.12 O ATOM 268 CB ASN A 16 7.886 -18.199 2.680 1.00 74.21 C ATOM 269 CG ASN A 16 7.012 -19.438 2.724 1.00 14.34 C ATOM 270 OD1 ASN A 16 6.587 -19.949 1.688 1.00 14.41 O ATOM 271 ND2 ASN A 16 6.739 -19.926 3.929 1.00 71.22 N ATOM 0 H ASN A 16 10.722 -19.090 3.143 1.00 4.35 H new ATOM 0 HA ASN A 16 8.927 -18.770 0.888 1.00 1.31 H new ATOM 0 HB2 ASN A 16 8.133 -17.896 3.697 1.00 74.21 H new ATOM 0 HB3 ASN A 16 7.327 -17.379 2.230 1.00 74.21 H new ATOM 0 HD21 ASN A 16 6.155 -20.757 4.022 1.00 71.22 H new ATOM 0 HD22 ASN A 16 7.113 -19.469 4.761 1.00 71.22 H new ATOM 278 N ILE A 17 9.610 -16.322 0.763 1.00 74.02 N ATOM 279 CA ILE A 17 10.270 -15.042 0.541 1.00 50.31 C ATOM 280 C ILE A 17 9.255 -13.906 0.461 1.00 62.31 C ATOM 281 O ILE A 17 8.476 -13.822 -0.488 1.00 21.31 O ATOM 282 CB ILE A 17 11.109 -15.057 -0.751 1.00 31.34 C ATOM 283 CG1 ILE A 17 12.298 -16.009 -0.601 1.00 13.20 C ATOM 284 CG2 ILE A 17 11.587 -13.653 -1.089 1.00 33.11 C ATOM 285 CD1 ILE A 17 12.986 -16.327 -1.910 1.00 52.40 C ATOM 0 H ILE A 17 8.881 -16.544 0.085 1.00 74.02 H new ATOM 0 HA ILE A 17 10.931 -14.877 1.392 1.00 50.31 H new ATOM 0 HB ILE A 17 10.483 -15.413 -1.569 1.00 31.34 H new ATOM 0 HG12 ILE A 17 13.023 -15.567 0.083 1.00 13.20 H new ATOM 0 HG13 ILE A 17 11.954 -16.938 -0.145 1.00 13.20 H new ATOM 0 HG21 ILE A 17 12.178 -13.680 -2.004 1.00 33.11 H new ATOM 0 HG22 ILE A 17 10.726 -13.000 -1.233 1.00 33.11 H new ATOM 0 HG23 ILE A 17 12.200 -13.271 -0.273 1.00 33.11 H new ATOM 0 HD11 ILE A 17 13.819 -17.006 -1.728 1.00 52.40 H new ATOM 0 HD12 ILE A 17 12.276 -16.798 -2.590 1.00 52.40 H new ATOM 0 HD13 ILE A 17 13.360 -15.406 -2.357 1.00 52.40 H new ATOM 297 N ALA A 18 9.272 -13.033 1.463 1.00 72.41 N ATOM 298 CA ALA A 18 8.356 -11.900 1.504 1.00 32.33 C ATOM 299 C ALA A 18 8.910 -10.718 0.717 1.00 53.40 C ATOM 300 O ALA A 18 9.939 -10.146 1.078 1.00 72.14 O ATOM 301 CB ALA A 18 8.082 -11.496 2.945 1.00 15.31 C ATOM 0 H ALA A 18 9.910 -13.089 2.257 1.00 72.41 H new ATOM 0 HA ALA A 18 7.418 -12.205 1.039 1.00 32.33 H new ATOM 0 HB1 ALA A 18 7.396 -10.649 2.961 1.00 15.31 H new ATOM 0 HB2 ALA A 18 7.635 -12.334 3.479 1.00 15.31 H new ATOM 0 HB3 ALA A 18 9.018 -11.215 3.428 1.00 15.31 H new ATOM 307 N VAL A 19 8.221 -10.355 -0.361 1.00 21.42 N ATOM 308 CA VAL A 19 8.644 -9.240 -1.199 1.00 62.12 C ATOM 309 C VAL A 19 7.677 -8.067 -1.083 1.00 20.40 C ATOM 310 O VAL A 19 6.560 -8.217 -0.586 1.00 44.03 O ATOM 311 CB VAL A 19 8.751 -9.658 -2.678 1.00 23.53 C ATOM 312 CG1 VAL A 19 10.075 -9.198 -3.268 1.00 64.44 C ATOM 313 CG2 VAL A 19 8.590 -11.165 -2.818 1.00 2.42 C ATOM 0 H VAL A 19 7.367 -10.817 -0.674 1.00 21.42 H new ATOM 0 HA VAL A 19 9.628 -8.933 -0.844 1.00 62.12 H new ATOM 0 HB VAL A 19 7.946 -9.176 -3.233 1.00 23.53 H new ATOM 0 HG11 VAL A 19 10.133 -9.502 -4.313 1.00 64.44 H new ATOM 0 HG12 VAL A 19 10.145 -8.112 -3.202 1.00 64.44 H new ATOM 0 HG13 VAL A 19 10.897 -9.649 -2.713 1.00 64.44 H new ATOM 0 HG21 VAL A 19 8.668 -11.443 -3.869 1.00 2.42 H new ATOM 0 HG22 VAL A 19 9.372 -11.669 -2.250 1.00 2.42 H new ATOM 0 HG23 VAL A 19 7.614 -11.464 -2.435 1.00 2.42 H new ATOM 323 N TYR A 20 8.113 -6.901 -1.545 1.00 12.43 N ATOM 324 CA TYR A 20 7.286 -5.701 -1.491 1.00 42.30 C ATOM 325 C TYR A 20 7.619 -4.758 -2.643 1.00 50.05 C ATOM 326 O TYR A 20 8.786 -4.470 -2.907 1.00 21.35 O ATOM 327 CB TYR A 20 7.482 -4.981 -0.156 1.00 12.43 C ATOM 328 CG TYR A 20 7.664 -5.918 1.017 1.00 42.14 C ATOM 329 CD1 TYR A 20 8.922 -6.401 1.356 1.00 42.13 C ATOM 330 CD2 TYR A 20 6.579 -6.321 1.785 1.00 71.14 C ATOM 331 CE1 TYR A 20 9.094 -7.258 2.426 1.00 73.05 C ATOM 332 CE2 TYR A 20 6.741 -7.177 2.857 1.00 42.41 C ATOM 333 CZ TYR A 20 8.000 -7.643 3.173 1.00 3.53 C ATOM 334 OH TYR A 20 8.166 -8.496 4.240 1.00 71.01 O ATOM 0 H TYR A 20 9.034 -6.761 -1.961 1.00 12.43 H new ATOM 0 HA TYR A 20 6.243 -6.005 -1.583 1.00 42.30 H new ATOM 0 HB2 TYR A 20 8.353 -4.330 -0.229 1.00 12.43 H new ATOM 0 HB3 TYR A 20 6.620 -4.341 0.032 1.00 12.43 H new ATOM 0 HD1 TYR A 20 9.780 -6.101 0.773 1.00 42.13 H new ATOM 0 HD2 TYR A 20 5.592 -5.959 1.540 1.00 71.14 H new ATOM 0 HE1 TYR A 20 10.079 -7.624 2.676 1.00 73.05 H new ATOM 0 HE2 TYR A 20 5.887 -7.480 3.444 1.00 42.41 H new ATOM 0 HH TYR A 20 7.297 -8.667 4.660 1.00 71.01 H new ATOM 344 N GLU A 21 6.583 -4.280 -3.327 1.00 23.34 N ATOM 345 CA GLU A 21 6.765 -3.370 -4.451 1.00 62.11 C ATOM 346 C GLU A 21 6.787 -1.919 -3.979 1.00 32.22 C ATOM 347 O GLU A 21 6.188 -1.578 -2.960 1.00 75.20 O ATOM 348 CB GLU A 21 5.650 -3.566 -5.480 1.00 61.33 C ATOM 349 CG GLU A 21 6.083 -4.356 -6.704 1.00 43.21 C ATOM 350 CD GLU A 21 4.926 -4.680 -7.629 1.00 21.11 C ATOM 351 OE1 GLU A 21 4.100 -3.778 -7.884 1.00 24.24 O ATOM 352 OE2 GLU A 21 4.846 -5.835 -8.097 1.00 53.33 O ATOM 0 H GLU A 21 5.610 -4.508 -3.122 1.00 23.34 H new ATOM 0 HA GLU A 21 7.724 -3.597 -4.917 1.00 62.11 H new ATOM 0 HB2 GLU A 21 4.814 -4.079 -5.004 1.00 61.33 H new ATOM 0 HB3 GLU A 21 5.285 -2.589 -5.799 1.00 61.33 H new ATOM 0 HG2 GLU A 21 6.833 -3.786 -7.253 1.00 43.21 H new ATOM 0 HG3 GLU A 21 6.558 -5.283 -6.384 1.00 43.21 H new ATOM 359 N ASN A 22 7.483 -1.070 -4.727 1.00 51.33 N ATOM 360 CA ASN A 22 7.584 0.344 -4.385 1.00 43.42 C ATOM 361 C ASN A 22 6.451 1.141 -5.025 1.00 2.44 C ATOM 362 O ASN A 22 5.961 0.792 -6.097 1.00 51.04 O ATOM 363 CB ASN A 22 8.935 0.904 -4.837 1.00 13.21 C ATOM 364 CG ASN A 22 9.065 2.390 -4.563 1.00 43.13 C ATOM 365 OD1 ASN A 22 8.441 3.213 -5.233 1.00 15.15 O ATOM 366 ND2 ASN A 22 9.881 2.740 -3.575 1.00 52.14 N ATOM 0 H ASN A 22 7.985 -1.336 -5.574 1.00 51.33 H new ATOM 0 HA ASN A 22 7.503 0.437 -3.302 1.00 43.42 H new ATOM 0 HB2 ASN A 22 9.736 0.371 -4.325 1.00 13.21 H new ATOM 0 HB3 ASN A 22 9.062 0.721 -5.904 1.00 13.21 H new ATOM 0 HD21 ASN A 22 10.010 3.725 -3.345 1.00 52.14 H new ATOM 0 HD22 ASN A 22 10.378 2.023 -3.046 1.00 52.14 H new ATOM 373 N GLY A 23 6.040 2.216 -4.357 1.00 64.42 N ATOM 374 CA GLY A 23 4.969 3.046 -4.875 1.00 72.13 C ATOM 375 C GLY A 23 5.290 3.623 -6.240 1.00 22.33 C ATOM 376 O GLY A 23 6.306 4.296 -6.413 1.00 11.22 O ATOM 0 H GLY A 23 6.430 2.526 -3.467 1.00 64.42 H new ATOM 0 HA2 GLY A 23 4.055 2.456 -4.939 1.00 72.13 H new ATOM 0 HA3 GLY A 23 4.774 3.860 -4.177 1.00 72.13 H new ATOM 380 N SER A 24 4.424 3.357 -7.212 1.00 14.11 N ATOM 381 CA SER A 24 4.623 3.850 -8.570 1.00 2.14 C ATOM 382 C SER A 24 5.927 3.316 -9.155 1.00 50.32 C ATOM 383 O SER A 24 6.472 3.880 -10.104 1.00 5.30 O ATOM 384 CB SER A 24 4.634 5.380 -8.583 1.00 33.11 C ATOM 385 OG SER A 24 4.127 5.883 -9.807 1.00 64.23 O ATOM 0 H SER A 24 3.577 2.803 -7.085 1.00 14.11 H new ATOM 0 HA SER A 24 3.796 3.494 -9.185 1.00 2.14 H new ATOM 0 HB2 SER A 24 4.035 5.758 -7.755 1.00 33.11 H new ATOM 0 HB3 SER A 24 5.651 5.741 -8.431 1.00 33.11 H new ATOM 0 HG SER A 24 4.143 6.863 -9.790 1.00 64.23 H new ATOM 391 N LYS A 25 6.422 2.224 -8.583 1.00 11.24 N ATOM 392 CA LYS A 25 7.661 1.611 -9.046 1.00 73.14 C ATOM 393 C LYS A 25 7.662 0.111 -8.770 1.00 21.14 C ATOM 394 O LYS A 25 6.680 -0.438 -8.269 1.00 70.14 O ATOM 395 CB LYS A 25 8.864 2.267 -8.366 1.00 65.11 C ATOM 396 CG LYS A 25 9.113 3.696 -8.816 1.00 12.44 C ATOM 397 CD LYS A 25 9.486 3.761 -10.287 1.00 54.42 C ATOM 398 CE LYS A 25 9.922 5.162 -10.690 1.00 71.43 C ATOM 399 NZ LYS A 25 11.254 5.512 -10.125 1.00 21.23 N ATOM 0 H LYS A 25 5.983 1.745 -7.797 1.00 11.24 H new ATOM 0 HA LYS A 25 7.733 1.764 -10.123 1.00 73.14 H new ATOM 0 HB2 LYS A 25 8.711 2.256 -7.287 1.00 65.11 H new ATOM 0 HB3 LYS A 25 9.754 1.671 -8.568 1.00 65.11 H new ATOM 0 HG2 LYS A 25 8.219 4.295 -8.640 1.00 12.44 H new ATOM 0 HG3 LYS A 25 9.912 4.133 -8.217 1.00 12.44 H new ATOM 0 HD2 LYS A 25 10.291 3.055 -10.491 1.00 54.42 H new ATOM 0 HD3 LYS A 25 8.633 3.455 -10.894 1.00 54.42 H new ATOM 0 HE2 LYS A 25 9.959 5.232 -11.777 1.00 71.43 H new ATOM 0 HE3 LYS A 25 9.181 5.885 -10.349 1.00 71.43 H new ATOM 0 HZ1 LYS A 25 11.599 6.388 -10.567 1.00 21.23 H new ATOM 0 HZ2 LYS A 25 11.169 5.652 -9.098 1.00 21.23 H new ATOM 0 HZ3 LYS A 25 11.925 4.741 -10.315 1.00 21.23 H new ATOM 413 N ILE A 26 8.770 -0.545 -9.097 1.00 22.44 N ATOM 414 CA ILE A 26 8.899 -1.981 -8.880 1.00 61.15 C ATOM 415 C ILE A 26 10.081 -2.296 -7.970 1.00 11.13 C ATOM 416 O ILE A 26 11.238 -2.177 -8.372 1.00 4.41 O ATOM 417 CB ILE A 26 9.075 -2.737 -10.211 1.00 31.14 C ATOM 418 CG1 ILE A 26 7.911 -2.429 -11.155 1.00 60.40 C ATOM 419 CG2 ILE A 26 9.179 -4.234 -9.959 1.00 74.03 C ATOM 420 CD1 ILE A 26 6.586 -2.983 -10.681 1.00 74.41 C ATOM 0 H ILE A 26 9.591 -0.106 -9.513 1.00 22.44 H new ATOM 0 HA ILE A 26 7.977 -2.312 -8.402 1.00 61.15 H new ATOM 0 HB ILE A 26 9.999 -2.403 -10.683 1.00 31.14 H new ATOM 0 HG12 ILE A 26 7.824 -1.349 -11.270 1.00 60.40 H new ATOM 0 HG13 ILE A 26 8.135 -2.838 -12.140 1.00 60.40 H new ATOM 0 HG21 ILE A 26 9.303 -4.755 -10.908 1.00 74.03 H new ATOM 0 HG22 ILE A 26 10.038 -4.436 -9.319 1.00 74.03 H new ATOM 0 HG23 ILE A 26 8.271 -4.584 -9.469 1.00 74.03 H new ATOM 0 HD11 ILE A 26 5.807 -2.727 -11.399 1.00 74.41 H new ATOM 0 HD12 ILE A 26 6.656 -4.067 -10.593 1.00 74.41 H new ATOM 0 HD13 ILE A 26 6.339 -2.555 -9.709 1.00 74.41 H new ATOM 432 N LYS A 27 9.782 -2.701 -6.740 1.00 14.30 N ATOM 433 CA LYS A 27 10.818 -3.037 -5.771 1.00 41.31 C ATOM 434 C LYS A 27 10.759 -4.515 -5.402 1.00 30.52 C ATOM 435 O LYS A 27 9.678 -5.082 -5.243 1.00 63.55 O ATOM 436 CB LYS A 27 10.666 -2.179 -4.513 1.00 32.44 C ATOM 437 CG LYS A 27 11.561 -2.618 -3.366 1.00 54.31 C ATOM 438 CD LYS A 27 11.879 -1.461 -2.433 1.00 73.14 C ATOM 439 CE LYS A 27 10.896 -1.394 -1.274 1.00 43.52 C ATOM 440 NZ LYS A 27 9.492 -1.240 -1.745 1.00 41.24 N ATOM 0 H LYS A 27 8.829 -2.804 -6.391 1.00 14.30 H new ATOM 0 HA LYS A 27 11.787 -2.833 -6.227 1.00 41.31 H new ATOM 0 HB2 LYS A 27 10.890 -1.142 -4.761 1.00 32.44 H new ATOM 0 HB3 LYS A 27 9.627 -2.211 -4.185 1.00 32.44 H new ATOM 0 HG2 LYS A 27 11.072 -3.415 -2.806 1.00 54.31 H new ATOM 0 HG3 LYS A 27 12.488 -3.031 -3.764 1.00 54.31 H new ATOM 0 HD2 LYS A 27 12.892 -1.572 -2.046 1.00 73.14 H new ATOM 0 HD3 LYS A 27 11.851 -0.525 -2.990 1.00 73.14 H new ATOM 0 HE2 LYS A 27 10.980 -2.300 -0.674 1.00 43.52 H new ATOM 0 HE3 LYS A 27 11.155 -0.557 -0.626 1.00 43.52 H new ATOM 0 HZ1 LYS A 27 8.892 -0.930 -0.954 1.00 41.24 H new ATOM 0 HZ2 LYS A 27 9.457 -0.531 -2.505 1.00 41.24 H new ATOM 0 HZ3 LYS A 27 9.145 -2.152 -2.106 1.00 41.24 H new ATOM 454 N ALA A 28 11.927 -5.134 -5.265 1.00 4.20 N ATOM 455 CA ALA A 28 12.008 -6.545 -4.911 1.00 32.42 C ATOM 456 C ALA A 28 12.925 -6.759 -3.711 1.00 60.04 C ATOM 457 O ALA A 28 14.148 -6.694 -3.834 1.00 63.12 O ATOM 458 CB ALA A 28 12.492 -7.361 -6.100 1.00 64.22 C ATOM 0 H ALA A 28 12.831 -4.679 -5.394 1.00 4.20 H new ATOM 0 HA ALA A 28 11.009 -6.882 -4.636 1.00 32.42 H new ATOM 0 HB1 ALA A 28 12.548 -8.413 -5.821 1.00 64.22 H new ATOM 0 HB2 ALA A 28 11.796 -7.242 -6.930 1.00 64.22 H new ATOM 0 HB3 ALA A 28 13.480 -7.013 -6.402 1.00 64.22 H new ATOM 464 N ARG A 29 12.326 -7.013 -2.552 1.00 64.34 N ATOM 465 CA ARG A 29 13.090 -7.234 -1.330 1.00 61.54 C ATOM 466 C ARG A 29 12.863 -8.645 -0.795 1.00 34.11 C ATOM 467 O ARG A 29 11.806 -8.947 -0.240 1.00 0.12 O ATOM 468 CB ARG A 29 12.702 -6.205 -0.268 1.00 34.25 C ATOM 469 CG ARG A 29 13.466 -6.358 1.037 1.00 23.40 C ATOM 470 CD ARG A 29 12.711 -5.738 2.202 1.00 51.22 C ATOM 471 NE ARG A 29 13.613 -5.243 3.238 1.00 43.42 N ATOM 472 CZ ARG A 29 13.233 -4.428 4.215 1.00 0.44 C ATOM 473 NH1 ARG A 29 11.974 -4.019 4.290 1.00 0.31 N ATOM 474 NH2 ARG A 29 14.113 -4.020 5.121 1.00 30.33 N ATOM 0 H ARG A 29 11.315 -7.071 -2.434 1.00 64.34 H new ATOM 0 HA ARG A 29 14.148 -7.120 -1.566 1.00 61.54 H new ATOM 0 HB2 ARG A 29 12.874 -5.204 -0.664 1.00 34.25 H new ATOM 0 HB3 ARG A 29 11.634 -6.289 -0.066 1.00 34.25 H new ATOM 0 HG2 ARG A 29 13.639 -7.416 1.236 1.00 23.40 H new ATOM 0 HG3 ARG A 29 14.444 -5.887 0.944 1.00 23.40 H new ATOM 0 HD2 ARG A 29 12.093 -4.918 1.838 1.00 51.22 H new ATOM 0 HD3 ARG A 29 12.037 -6.479 2.632 1.00 51.22 H new ATOM 0 HE ARG A 29 14.589 -5.540 3.210 1.00 43.42 H new ATOM 0 HH11 ARG A 29 11.294 -4.330 3.596 1.00 0.31 H new ATOM 0 HH12 ARG A 29 11.685 -3.393 5.042 1.00 0.31 H new ATOM 0 HH21 ARG A 29 15.082 -4.333 5.067 1.00 30.33 H new ATOM 0 HH22 ARG A 29 13.820 -3.394 5.871 1.00 30.33 H new ATOM 488 N VAL A 30 13.861 -9.506 -0.966 1.00 1.30 N ATOM 489 CA VAL A 30 13.771 -10.884 -0.500 1.00 34.23 C ATOM 490 C VAL A 30 13.965 -10.968 1.010 1.00 15.51 C ATOM 491 O VAL A 30 15.014 -10.594 1.532 1.00 3.31 O ATOM 492 CB VAL A 30 14.816 -11.780 -1.191 1.00 33.23 C ATOM 493 CG1 VAL A 30 14.860 -13.152 -0.535 1.00 62.12 C ATOM 494 CG2 VAL A 30 14.515 -11.900 -2.677 1.00 50.10 C ATOM 0 H VAL A 30 14.742 -9.273 -1.424 1.00 1.30 H new ATOM 0 HA VAL A 30 12.773 -11.239 -0.755 1.00 34.23 H new ATOM 0 HB VAL A 30 15.797 -11.318 -1.078 1.00 33.23 H new ATOM 0 HG11 VAL A 30 15.604 -13.771 -1.036 1.00 62.12 H new ATOM 0 HG12 VAL A 30 15.127 -13.044 0.516 1.00 62.12 H new ATOM 0 HG13 VAL A 30 13.881 -13.625 -0.614 1.00 62.12 H new ATOM 0 HG21 VAL A 30 15.263 -12.536 -3.150 1.00 50.10 H new ATOM 0 HG22 VAL A 30 13.527 -12.339 -2.814 1.00 50.10 H new ATOM 0 HG23 VAL A 30 14.539 -10.911 -3.134 1.00 50.10 H new ATOM 504 N GLU A 31 12.945 -11.461 1.706 1.00 52.20 N ATOM 505 CA GLU A 31 13.004 -11.593 3.157 1.00 52.30 C ATOM 506 C GLU A 31 12.744 -13.035 3.583 1.00 1.22 C ATOM 507 O GLU A 31 11.660 -13.573 3.361 1.00 24.01 O ATOM 508 CB GLU A 31 11.984 -10.663 3.818 1.00 43.42 C ATOM 509 CG GLU A 31 11.795 -10.924 5.303 1.00 53.15 C ATOM 510 CD GLU A 31 11.036 -9.811 5.999 1.00 42.44 C ATOM 511 OE1 GLU A 31 11.345 -8.629 5.736 1.00 75.12 O ATOM 512 OE2 GLU A 31 10.135 -10.120 6.806 1.00 63.23 O ATOM 0 H GLU A 31 12.069 -11.775 1.289 1.00 52.20 H new ATOM 0 HA GLU A 31 14.006 -11.311 3.481 1.00 52.30 H new ATOM 0 HB2 GLU A 31 12.302 -9.630 3.677 1.00 43.42 H new ATOM 0 HB3 GLU A 31 11.024 -10.773 3.313 1.00 43.42 H new ATOM 0 HG2 GLU A 31 11.259 -11.864 5.438 1.00 53.15 H new ATOM 0 HG3 GLU A 31 12.771 -11.043 5.774 1.00 53.15 H new ATOM 519 N ASN A 32 13.747 -13.654 4.196 1.00 25.32 N ATOM 520 CA ASN A 32 13.629 -15.034 4.653 1.00 71.32 C ATOM 521 C ASN A 32 12.862 -15.108 5.970 1.00 41.42 C ATOM 522 O ASN A 32 12.658 -14.095 6.639 1.00 3.32 O ATOM 523 CB ASN A 32 15.016 -15.659 4.822 1.00 55.43 C ATOM 524 CG ASN A 32 14.954 -17.163 4.998 1.00 25.53 C ATOM 525 OD1 ASN A 32 15.557 -17.717 5.918 1.00 1.44 O ATOM 526 ND2 ASN A 32 14.224 -17.834 4.115 1.00 42.44 N ATOM 0 H ASN A 32 14.651 -13.222 4.388 1.00 25.32 H new ATOM 0 HA ASN A 32 13.076 -15.593 3.899 1.00 71.32 H new ATOM 0 HB2 ASN A 32 15.627 -15.423 3.951 1.00 55.43 H new ATOM 0 HB3 ASN A 32 15.509 -15.215 5.687 1.00 55.43 H new ATOM 0 HD21 ASN A 32 14.146 -18.849 4.183 1.00 42.44 H new ATOM 0 HD22 ASN A 32 13.741 -17.335 3.368 1.00 42.44 H new ATOM 533 N VAL A 33 12.440 -16.314 6.336 1.00 14.51 N ATOM 534 CA VAL A 33 11.697 -16.520 7.574 1.00 71.24 C ATOM 535 C VAL A 33 12.418 -17.502 8.490 1.00 23.00 C ATOM 536 O VAL A 33 12.573 -17.253 9.686 1.00 72.22 O ATOM 537 CB VAL A 33 10.276 -17.045 7.294 1.00 11.45 C ATOM 538 CG1 VAL A 33 9.383 -15.923 6.787 1.00 14.12 C ATOM 539 CG2 VAL A 33 10.319 -18.194 6.299 1.00 33.54 C ATOM 0 H VAL A 33 12.600 -17.163 5.793 1.00 14.51 H new ATOM 0 HA VAL A 33 11.628 -15.551 8.068 1.00 71.24 H new ATOM 0 HB VAL A 33 9.855 -17.419 8.227 1.00 11.45 H new ATOM 0 HG11 VAL A 33 8.383 -16.312 6.595 1.00 14.12 H new ATOM 0 HG12 VAL A 33 9.327 -15.135 7.538 1.00 14.12 H new ATOM 0 HG13 VAL A 33 9.798 -15.516 5.865 1.00 14.12 H new ATOM 0 HG21 VAL A 33 9.307 -18.552 6.113 1.00 33.54 H new ATOM 0 HG22 VAL A 33 10.759 -17.849 5.364 1.00 33.54 H new ATOM 0 HG23 VAL A 33 10.922 -19.006 6.706 1.00 33.54 H new ATOM 549 N VAL A 34 12.859 -18.620 7.921 1.00 1.41 N ATOM 550 CA VAL A 34 13.566 -19.639 8.686 1.00 23.53 C ATOM 551 C VAL A 34 14.826 -19.070 9.329 1.00 12.40 C ATOM 552 O VAL A 34 15.185 -19.437 10.447 1.00 41.12 O ATOM 553 CB VAL A 34 13.953 -20.839 7.800 1.00 11.43 C ATOM 554 CG1 VAL A 34 12.720 -21.650 7.432 1.00 41.11 C ATOM 555 CG2 VAL A 34 14.682 -20.365 6.552 1.00 1.01 C ATOM 0 H VAL A 34 12.739 -18.842 6.933 1.00 1.41 H new ATOM 0 HA VAL A 34 12.884 -19.977 9.466 1.00 23.53 H new ATOM 0 HB VAL A 34 14.627 -21.484 8.364 1.00 11.43 H new ATOM 0 HG11 VAL A 34 13.013 -22.493 6.806 1.00 41.11 H new ATOM 0 HG12 VAL A 34 12.244 -22.020 8.340 1.00 41.11 H new ATOM 0 HG13 VAL A 34 12.019 -21.019 6.886 1.00 41.11 H new ATOM 0 HG21 VAL A 34 14.948 -21.225 5.937 1.00 1.01 H new ATOM 0 HG22 VAL A 34 14.034 -19.699 5.983 1.00 1.01 H new ATOM 0 HG23 VAL A 34 15.587 -19.831 6.840 1.00 1.01 H new ATOM 565 N ASN A 35 15.493 -18.169 8.614 1.00 13.03 N ATOM 566 CA ASN A 35 16.713 -17.547 9.115 1.00 23.40 C ATOM 567 C ASN A 35 16.404 -16.585 10.258 1.00 24.52 C ATOM 568 O ASN A 35 17.257 -16.315 11.103 1.00 14.31 O ATOM 569 CB ASN A 35 17.431 -16.803 7.987 1.00 21.23 C ATOM 570 CG ASN A 35 18.280 -17.726 7.135 1.00 44.14 C ATOM 571 OD1 ASN A 35 17.917 -18.878 6.896 1.00 42.35 O ATOM 572 ND2 ASN A 35 19.419 -17.222 6.672 1.00 73.54 N ATOM 0 H ASN A 35 15.209 -17.854 7.686 1.00 13.03 H new ATOM 0 HA ASN A 35 17.364 -18.335 9.494 1.00 23.40 H new ATOM 0 HB2 ASN A 35 16.694 -16.306 7.356 1.00 21.23 H new ATOM 0 HB3 ASN A 35 18.062 -16.024 8.414 1.00 21.23 H new ATOM 0 HD21 ASN A 35 20.032 -17.796 6.093 1.00 73.54 H new ATOM 0 HD22 ASN A 35 19.680 -16.262 6.895 1.00 73.54 H new ATOM 579 N GLY A 36 15.178 -16.072 10.278 1.00 72.32 N ATOM 580 CA GLY A 36 14.778 -15.147 11.321 1.00 15.34 C ATOM 581 C GLY A 36 15.207 -13.723 11.029 1.00 15.41 C ATOM 582 O GLY A 36 14.914 -12.807 11.799 1.00 60.32 O ATOM 0 H GLY A 36 14.455 -16.281 9.590 1.00 72.32 H new ATOM 0 HA2 GLY A 36 13.695 -15.180 11.436 1.00 15.34 H new ATOM 0 HA3 GLY A 36 15.209 -15.466 12.270 1.00 15.34 H new ATOM 586 N LYS A 37 15.904 -13.534 9.914 1.00 10.50 N ATOM 587 CA LYS A 37 16.375 -12.211 9.521 1.00 43.02 C ATOM 588 C LYS A 37 16.298 -12.033 8.008 1.00 71.42 C ATOM 589 O LYS A 37 16.676 -12.925 7.248 1.00 22.45 O ATOM 590 CB LYS A 37 17.814 -11.997 9.997 1.00 31.21 C ATOM 591 CG LYS A 37 18.471 -10.759 9.412 1.00 15.32 C ATOM 592 CD LYS A 37 17.745 -9.492 9.833 1.00 50.43 C ATOM 593 CE LYS A 37 18.031 -9.141 11.285 1.00 71.41 C ATOM 594 NZ LYS A 37 19.424 -8.650 11.473 1.00 21.31 N ATOM 0 H LYS A 37 16.155 -14.281 9.266 1.00 10.50 H new ATOM 0 HA LYS A 37 15.729 -11.469 9.990 1.00 43.02 H new ATOM 0 HB2 LYS A 37 17.821 -11.922 11.084 1.00 31.21 H new ATOM 0 HB3 LYS A 37 18.409 -12.872 9.734 1.00 31.21 H new ATOM 0 HG2 LYS A 37 19.510 -10.709 9.737 1.00 15.32 H new ATOM 0 HG3 LYS A 37 18.480 -10.830 8.324 1.00 15.32 H new ATOM 0 HD2 LYS A 37 18.051 -8.666 9.191 1.00 50.43 H new ATOM 0 HD3 LYS A 37 16.672 -9.623 9.694 1.00 50.43 H new ATOM 0 HE2 LYS A 37 17.329 -8.377 11.619 1.00 71.41 H new ATOM 0 HE3 LYS A 37 17.868 -10.019 11.910 1.00 71.41 H new ATOM 0 HZ1 LYS A 37 19.511 -8.203 12.408 1.00 21.31 H new ATOM 0 HZ2 LYS A 37 20.086 -9.450 11.409 1.00 21.31 H new ATOM 0 HZ3 LYS A 37 19.649 -7.954 10.734 1.00 21.31 H new ATOM 608 N SER A 38 15.807 -10.876 7.577 1.00 72.04 N ATOM 609 CA SER A 38 15.678 -10.583 6.154 1.00 11.20 C ATOM 610 C SER A 38 17.046 -10.342 5.523 1.00 11.40 C ATOM 611 O SER A 38 17.800 -9.473 5.961 1.00 23.04 O ATOM 612 CB SER A 38 14.783 -9.360 5.943 1.00 44.32 C ATOM 613 OG SER A 38 15.409 -8.182 6.422 1.00 14.20 O ATOM 0 H SER A 38 15.492 -10.126 8.192 1.00 72.04 H new ATOM 0 HA SER A 38 15.221 -11.446 5.670 1.00 11.20 H new ATOM 0 HB2 SER A 38 14.556 -9.250 4.883 1.00 44.32 H new ATOM 0 HB3 SER A 38 13.834 -9.507 6.458 1.00 44.32 H new ATOM 0 HG SER A 38 16.371 -8.340 6.520 1.00 14.20 H new ATOM 619 N VAL A 39 17.359 -11.117 4.490 1.00 22.41 N ATOM 620 CA VAL A 39 18.635 -10.989 3.797 1.00 43.33 C ATOM 621 C VAL A 39 18.431 -10.832 2.294 1.00 10.11 C ATOM 622 O VAL A 39 18.819 -11.697 1.511 1.00 62.25 O ATOM 623 CB VAL A 39 19.540 -12.208 4.056 1.00 5.32 C ATOM 624 CG1 VAL A 39 20.233 -12.081 5.405 1.00 70.45 C ATOM 625 CG2 VAL A 39 18.734 -13.495 3.980 1.00 20.32 C ATOM 0 H VAL A 39 16.746 -11.841 4.114 1.00 22.41 H new ATOM 0 HA VAL A 39 19.120 -10.096 4.191 1.00 43.33 H new ATOM 0 HB VAL A 39 20.307 -12.241 3.282 1.00 5.32 H new ATOM 0 HG11 VAL A 39 20.868 -12.951 5.571 1.00 70.45 H new ATOM 0 HG12 VAL A 39 20.844 -11.178 5.417 1.00 70.45 H new ATOM 0 HG13 VAL A 39 19.484 -12.023 6.195 1.00 70.45 H new ATOM 0 HG21 VAL A 39 19.389 -14.346 4.165 1.00 20.32 H new ATOM 0 HG22 VAL A 39 17.944 -13.475 4.731 1.00 20.32 H new ATOM 0 HG23 VAL A 39 18.290 -13.588 2.989 1.00 20.32 H new ATOM 635 N GLY A 40 17.818 -9.720 1.898 1.00 24.04 N ATOM 636 CA GLY A 40 17.573 -9.469 0.490 1.00 22.22 C ATOM 637 C GLY A 40 17.160 -8.036 0.220 1.00 34.10 C ATOM 638 O GLY A 40 16.244 -7.517 0.857 1.00 54.21 O ATOM 0 H GLY A 40 17.487 -8.989 2.527 1.00 24.04 H new ATOM 0 HA2 GLY A 40 18.474 -9.697 -0.079 1.00 22.22 H new ATOM 0 HA3 GLY A 40 16.793 -10.142 0.135 1.00 22.22 H new ATOM 642 N ALA A 41 17.837 -7.395 -0.726 1.00 45.32 N ATOM 643 CA ALA A 41 17.535 -6.013 -1.079 1.00 61.22 C ATOM 644 C ALA A 41 17.884 -5.730 -2.536 1.00 51.05 C ATOM 645 O ALA A 41 19.015 -5.954 -2.969 1.00 34.32 O ATOM 646 CB ALA A 41 18.282 -5.058 -0.160 1.00 43.04 C ATOM 0 H ALA A 41 18.599 -7.810 -1.262 1.00 45.32 H new ATOM 0 HA ALA A 41 16.464 -5.857 -0.953 1.00 61.22 H new ATOM 0 HB1 ALA A 41 18.047 -4.030 -0.435 1.00 43.04 H new ATOM 0 HB2 ALA A 41 17.980 -5.235 0.872 1.00 43.04 H new ATOM 0 HB3 ALA A 41 19.355 -5.224 -0.258 1.00 43.04 H new ATOM 652 N ARG A 42 16.906 -5.237 -3.289 1.00 52.11 N ATOM 653 CA ARG A 42 17.110 -4.925 -4.699 1.00 34.13 C ATOM 654 C ARG A 42 16.157 -3.823 -5.155 1.00 24.51 C ATOM 655 O ARG A 42 15.117 -3.594 -4.538 1.00 51.14 O ATOM 656 CB ARG A 42 16.906 -6.177 -5.554 1.00 50.34 C ATOM 657 CG ARG A 42 18.203 -6.868 -5.940 1.00 63.25 C ATOM 658 CD ARG A 42 19.084 -5.966 -6.790 1.00 40.24 C ATOM 659 NE ARG A 42 20.190 -6.698 -7.401 1.00 23.21 N ATOM 660 CZ ARG A 42 21.080 -6.141 -8.215 1.00 21.12 C ATOM 661 NH1 ARG A 42 20.994 -4.852 -8.514 1.00 23.32 N ATOM 662 NH2 ARG A 42 22.059 -6.874 -8.731 1.00 13.40 N ATOM 0 H ARG A 42 15.965 -5.045 -2.946 1.00 52.11 H new ATOM 0 HA ARG A 42 18.133 -4.571 -4.823 1.00 34.13 H new ATOM 0 HB2 ARG A 42 16.277 -6.881 -5.008 1.00 50.34 H new ATOM 0 HB3 ARG A 42 16.366 -5.904 -6.460 1.00 50.34 H new ATOM 0 HG2 ARG A 42 18.742 -7.161 -5.039 1.00 63.25 H new ATOM 0 HG3 ARG A 42 17.980 -7.783 -6.489 1.00 63.25 H new ATOM 0 HD2 ARG A 42 18.481 -5.502 -7.571 1.00 40.24 H new ATOM 0 HD3 ARG A 42 19.480 -5.160 -6.172 1.00 40.24 H new ATOM 0 HE ARG A 42 20.284 -7.692 -7.191 1.00 23.21 H new ATOM 0 HH11 ARG A 42 20.243 -4.286 -8.119 1.00 23.32 H new ATOM 0 HH12 ARG A 42 21.679 -4.427 -9.139 1.00 23.32 H new ATOM 0 HH21 ARG A 42 22.128 -7.866 -8.503 1.00 13.40 H new ATOM 0 HH22 ARG A 42 22.742 -6.446 -9.356 1.00 13.40 H new ATOM 676 N ASP A 43 16.521 -3.145 -6.238 1.00 23.33 N ATOM 677 CA ASP A 43 15.700 -2.068 -6.777 1.00 73.12 C ATOM 678 C ASP A 43 15.365 -2.322 -8.244 1.00 20.13 C ATOM 679 O ASP A 43 16.187 -2.084 -9.129 1.00 53.11 O ATOM 680 CB ASP A 43 16.419 -0.726 -6.630 1.00 63.54 C ATOM 681 CG ASP A 43 17.880 -0.807 -7.027 1.00 5.13 C ATOM 682 OD1 ASP A 43 18.671 -1.400 -6.263 1.00 0.22 O ATOM 683 OD2 ASP A 43 18.233 -0.278 -8.101 1.00 43.31 O ATOM 0 H ASP A 43 17.379 -3.322 -6.760 1.00 23.33 H new ATOM 0 HA ASP A 43 14.769 -2.036 -6.210 1.00 73.12 H new ATOM 0 HB2 ASP A 43 15.919 0.021 -7.246 1.00 63.54 H new ATOM 0 HB3 ASP A 43 16.344 -0.388 -5.596 1.00 63.54 H new ATOM 688 N PHE A 44 14.154 -2.808 -8.493 1.00 74.13 N ATOM 689 CA PHE A 44 13.711 -3.097 -9.852 1.00 52.23 C ATOM 690 C PHE A 44 13.054 -1.872 -10.482 1.00 40.21 C ATOM 691 O PHE A 44 12.970 -0.811 -9.862 1.00 64.42 O ATOM 692 CB PHE A 44 12.731 -4.272 -9.853 1.00 50.04 C ATOM 693 CG PHE A 44 13.405 -5.614 -9.862 1.00 72.33 C ATOM 694 CD1 PHE A 44 14.381 -5.920 -8.928 1.00 65.12 C ATOM 695 CD2 PHE A 44 13.061 -6.570 -10.804 1.00 63.53 C ATOM 696 CE1 PHE A 44 15.004 -7.154 -8.935 1.00 34.21 C ATOM 697 CE2 PHE A 44 13.680 -7.807 -10.816 1.00 13.44 C ATOM 698 CZ PHE A 44 14.651 -8.099 -9.879 1.00 24.02 C ATOM 0 H PHE A 44 13.462 -3.010 -7.772 1.00 74.13 H new ATOM 0 HA PHE A 44 14.587 -3.363 -10.444 1.00 52.23 H new ATOM 0 HB2 PHE A 44 12.091 -4.202 -8.974 1.00 50.04 H new ATOM 0 HB3 PHE A 44 12.083 -4.194 -10.726 1.00 50.04 H new ATOM 0 HD1 PHE A 44 14.658 -5.186 -8.186 1.00 65.12 H new ATOM 0 HD2 PHE A 44 12.301 -6.347 -11.538 1.00 63.53 H new ATOM 0 HE1 PHE A 44 15.766 -7.379 -8.203 1.00 34.21 H new ATOM 0 HE2 PHE A 44 13.404 -8.543 -11.557 1.00 13.44 H new ATOM 0 HZ PHE A 44 15.134 -9.065 -9.884 1.00 24.02 H new ATOM 708 N ASP A 45 12.590 -2.026 -11.717 1.00 63.23 N ATOM 709 CA ASP A 45 11.940 -0.934 -12.432 1.00 44.21 C ATOM 710 C ASP A 45 10.673 -1.419 -13.130 1.00 4.32 C ATOM 711 O ASP A 45 9.648 -0.737 -13.120 1.00 62.45 O ATOM 712 CB ASP A 45 12.899 -0.324 -13.455 1.00 44.45 C ATOM 713 CG ASP A 45 12.262 0.800 -14.248 1.00 54.23 C ATOM 714 OD1 ASP A 45 11.500 0.503 -15.192 1.00 71.35 O ATOM 715 OD2 ASP A 45 12.523 1.977 -13.924 1.00 44.22 O ATOM 0 H ASP A 45 12.652 -2.897 -12.244 1.00 63.23 H new ATOM 0 HA ASP A 45 11.663 -0.171 -11.705 1.00 44.21 H new ATOM 0 HB2 ASP A 45 13.782 0.054 -12.940 1.00 44.45 H new ATOM 0 HB3 ASP A 45 13.237 -1.101 -14.140 1.00 44.45 H new ATOM 720 N SER A 46 10.752 -2.600 -13.735 1.00 1.51 N ATOM 721 CA SER A 46 9.613 -3.174 -14.442 1.00 3.40 C ATOM 722 C SER A 46 9.136 -4.450 -13.757 1.00 31.42 C ATOM 723 O SER A 46 9.935 -5.217 -13.218 1.00 42.02 O ATOM 724 CB SER A 46 9.985 -3.470 -15.896 1.00 25.10 C ATOM 725 OG SER A 46 9.818 -2.322 -16.710 1.00 31.04 O ATOM 0 H SER A 46 11.592 -3.178 -13.750 1.00 1.51 H new ATOM 0 HA SER A 46 8.801 -2.447 -14.423 1.00 3.40 H new ATOM 0 HB2 SER A 46 11.020 -3.809 -15.948 1.00 25.10 H new ATOM 0 HB3 SER A 46 9.364 -4.282 -16.275 1.00 25.10 H new ATOM 0 HG SER A 46 10.064 -2.537 -17.634 1.00 31.04 H new ATOM 731 N THR A 47 7.825 -4.673 -13.781 1.00 24.11 N ATOM 732 CA THR A 47 7.239 -5.855 -13.162 1.00 25.21 C ATOM 733 C THR A 47 7.556 -7.111 -13.966 1.00 53.12 C ATOM 734 O THR A 47 7.716 -8.194 -13.405 1.00 34.12 O ATOM 735 CB THR A 47 5.711 -5.719 -13.025 1.00 3.54 C ATOM 736 OG1 THR A 47 5.349 -4.336 -12.932 1.00 65.14 O ATOM 737 CG2 THR A 47 5.210 -6.462 -11.796 1.00 73.30 C ATOM 0 H THR A 47 7.149 -4.050 -14.223 1.00 24.11 H new ATOM 0 HA THR A 47 7.679 -5.942 -12.168 1.00 25.21 H new ATOM 0 HB THR A 47 5.248 -6.157 -13.909 1.00 3.54 H new ATOM 0 HG1 THR A 47 4.376 -4.258 -12.847 1.00 65.14 H new ATOM 0 HG21 THR A 47 4.128 -6.352 -11.720 1.00 73.30 H new ATOM 0 HG22 THR A 47 5.462 -7.519 -11.882 1.00 73.30 H new ATOM 0 HG23 THR A 47 5.680 -6.048 -10.904 1.00 73.30 H new ATOM 745 N GLU A 48 7.645 -6.957 -15.284 1.00 30.53 N ATOM 746 CA GLU A 48 7.942 -8.081 -16.165 1.00 3.15 C ATOM 747 C GLU A 48 9.192 -8.822 -15.698 1.00 33.43 C ATOM 748 O GLU A 48 9.180 -10.044 -15.546 1.00 11.42 O ATOM 749 CB GLU A 48 8.132 -7.594 -17.603 1.00 4.25 C ATOM 750 CG GLU A 48 8.127 -8.713 -18.630 1.00 24.20 C ATOM 751 CD GLU A 48 8.175 -8.197 -20.055 1.00 72.31 C ATOM 752 OE1 GLU A 48 8.714 -7.091 -20.269 1.00 32.43 O ATOM 753 OE2 GLU A 48 7.673 -8.900 -20.957 1.00 33.41 O ATOM 0 H GLU A 48 7.516 -6.066 -15.764 1.00 30.53 H new ATOM 0 HA GLU A 48 7.098 -8.770 -16.131 1.00 3.15 H new ATOM 0 HB2 GLU A 48 7.339 -6.886 -17.846 1.00 4.25 H new ATOM 0 HB3 GLU A 48 9.075 -7.053 -17.673 1.00 4.25 H new ATOM 0 HG2 GLU A 48 8.982 -9.366 -18.455 1.00 24.20 H new ATOM 0 HG3 GLU A 48 7.231 -9.319 -18.497 1.00 24.20 H new ATOM 760 N GLN A 49 10.267 -8.074 -15.473 1.00 22.51 N ATOM 761 CA GLN A 49 11.525 -8.661 -15.025 1.00 13.11 C ATOM 762 C GLN A 49 11.403 -9.185 -13.598 1.00 21.11 C ATOM 763 O GLN A 49 12.106 -10.117 -13.206 1.00 21.43 O ATOM 764 CB GLN A 49 12.651 -7.629 -15.108 1.00 30.14 C ATOM 765 CG GLN A 49 12.342 -6.332 -14.378 1.00 40.53 C ATOM 766 CD GLN A 49 13.591 -5.544 -14.034 1.00 52.00 C ATOM 767 OE1 GLN A 49 14.512 -6.063 -13.404 1.00 22.44 O ATOM 768 NE2 GLN A 49 13.628 -4.283 -14.447 1.00 42.53 N ATOM 0 H GLN A 49 10.293 -7.061 -15.593 1.00 22.51 H new ATOM 0 HA GLN A 49 11.761 -9.499 -15.681 1.00 13.11 H new ATOM 0 HB2 GLN A 49 13.561 -8.062 -14.693 1.00 30.14 H new ATOM 0 HB3 GLN A 49 12.853 -7.407 -16.156 1.00 30.14 H new ATOM 0 HG2 GLN A 49 11.689 -5.718 -14.997 1.00 40.53 H new ATOM 0 HG3 GLN A 49 11.795 -6.556 -13.462 1.00 40.53 H new ATOM 0 HE21 GLN A 49 12.842 -3.893 -14.967 1.00 42.53 H new ATOM 0 HE22 GLN A 49 14.443 -3.704 -14.245 1.00 42.53 H new ATOM 777 N LEU A 50 10.508 -8.580 -12.825 1.00 74.42 N ATOM 778 CA LEU A 50 10.294 -8.986 -11.440 1.00 73.04 C ATOM 779 C LEU A 50 9.987 -10.478 -11.351 1.00 1.50 C ATOM 780 O LEU A 50 10.738 -11.239 -10.742 1.00 73.34 O ATOM 781 CB LEU A 50 9.149 -8.181 -10.823 1.00 51.44 C ATOM 782 CG LEU A 50 9.087 -8.164 -9.296 1.00 3.43 C ATOM 783 CD1 LEU A 50 10.384 -7.622 -8.715 1.00 43.42 C ATOM 784 CD2 LEU A 50 7.901 -7.338 -8.819 1.00 3.11 C ATOM 0 H LEU A 50 9.919 -7.807 -13.133 1.00 74.42 H new ATOM 0 HA LEU A 50 11.210 -8.788 -10.884 1.00 73.04 H new ATOM 0 HB2 LEU A 50 9.224 -7.152 -11.175 1.00 51.44 H new ATOM 0 HB3 LEU A 50 8.207 -8.579 -11.200 1.00 51.44 H new ATOM 0 HG LEU A 50 8.956 -9.188 -8.946 1.00 3.43 H new ATOM 0 HD11 LEU A 50 10.321 -7.617 -7.627 1.00 43.42 H new ATOM 0 HD12 LEU A 50 11.215 -8.254 -9.028 1.00 43.42 H new ATOM 0 HD13 LEU A 50 10.546 -6.605 -9.073 1.00 43.42 H new ATOM 0 HD21 LEU A 50 7.873 -7.337 -7.729 1.00 3.11 H new ATOM 0 HD22 LEU A 50 8.002 -6.314 -9.180 1.00 3.11 H new ATOM 0 HD23 LEU A 50 6.978 -7.770 -9.205 1.00 3.11 H new ATOM 796 N GLU A 51 8.880 -10.887 -11.963 1.00 45.14 N ATOM 797 CA GLU A 51 8.476 -12.288 -11.954 1.00 4.15 C ATOM 798 C GLU A 51 9.432 -13.136 -12.788 1.00 1.30 C ATOM 799 O GLU A 51 9.807 -14.239 -12.392 1.00 72.41 O ATOM 800 CB GLU A 51 7.050 -12.434 -12.487 1.00 14.04 C ATOM 801 CG GLU A 51 6.040 -11.551 -11.773 1.00 33.44 C ATOM 802 CD GLU A 51 4.609 -11.993 -12.010 1.00 15.13 C ATOM 803 OE1 GLU A 51 4.113 -12.839 -11.236 1.00 25.02 O ATOM 804 OE2 GLU A 51 3.984 -11.493 -12.968 1.00 71.13 O ATOM 0 H GLU A 51 8.248 -10.269 -12.471 1.00 45.14 H new ATOM 0 HA GLU A 51 8.509 -12.642 -10.924 1.00 4.15 H new ATOM 0 HB2 GLU A 51 7.042 -12.194 -13.550 1.00 14.04 H new ATOM 0 HB3 GLU A 51 6.741 -13.475 -12.393 1.00 14.04 H new ATOM 0 HG2 GLU A 51 6.247 -11.561 -10.703 1.00 33.44 H new ATOM 0 HG3 GLU A 51 6.159 -10.522 -12.111 1.00 33.44 H new ATOM 811 N SER A 52 9.822 -12.611 -13.945 1.00 61.55 N ATOM 812 CA SER A 52 10.730 -13.321 -14.839 1.00 24.03 C ATOM 813 C SER A 52 12.020 -13.697 -14.115 1.00 41.25 C ATOM 814 O SER A 52 12.691 -14.662 -14.482 1.00 2.34 O ATOM 815 CB SER A 52 11.051 -12.461 -16.063 1.00 33.30 C ATOM 816 OG SER A 52 11.965 -13.119 -16.923 1.00 2.02 O ATOM 0 H SER A 52 9.524 -11.697 -14.285 1.00 61.55 H new ATOM 0 HA SER A 52 10.237 -14.236 -15.167 1.00 24.03 H new ATOM 0 HB2 SER A 52 10.132 -12.238 -16.606 1.00 33.30 H new ATOM 0 HB3 SER A 52 11.471 -11.508 -15.742 1.00 33.30 H new ATOM 0 HG SER A 52 12.153 -12.550 -17.698 1.00 2.02 H new ATOM 822 N TRP A 53 12.360 -12.928 -13.088 1.00 13.35 N ATOM 823 CA TRP A 53 13.569 -13.179 -12.312 1.00 2.11 C ATOM 824 C TRP A 53 13.406 -14.415 -11.435 1.00 22.24 C ATOM 825 O TRP A 53 14.223 -15.335 -11.484 1.00 74.51 O ATOM 826 CB TRP A 53 13.906 -11.964 -11.446 1.00 34.25 C ATOM 827 CG TRP A 53 14.681 -12.312 -10.211 1.00 0.41 C ATOM 828 CD1 TRP A 53 14.376 -11.963 -8.926 1.00 42.52 C ATOM 829 CD2 TRP A 53 15.891 -13.075 -10.145 1.00 53.31 C ATOM 830 NE1 TRP A 53 15.324 -12.463 -8.066 1.00 14.43 N ATOM 831 CE2 TRP A 53 16.263 -13.149 -8.788 1.00 72.45 C ATOM 832 CE3 TRP A 53 16.695 -13.704 -11.099 1.00 55.24 C ATOM 833 CZ2 TRP A 53 17.404 -13.827 -8.366 1.00 54.31 C ATOM 834 CZ3 TRP A 53 17.827 -14.375 -10.679 1.00 34.34 C ATOM 835 CH2 TRP A 53 18.172 -14.433 -9.322 1.00 23.30 C ATOM 0 H TRP A 53 11.816 -12.125 -12.773 1.00 13.35 H new ATOM 0 HA TRP A 53 14.388 -13.357 -13.009 1.00 2.11 H new ATOM 0 HB2 TRP A 53 14.481 -11.252 -12.039 1.00 34.25 H new ATOM 0 HB3 TRP A 53 12.981 -11.465 -11.157 1.00 34.25 H new ATOM 0 HD1 TRP A 53 13.516 -11.380 -8.630 1.00 42.52 H new ATOM 0 HE1 TRP A 53 15.327 -12.342 -7.053 1.00 14.43 H new ATOM 0 HE3 TRP A 53 16.436 -13.666 -12.147 1.00 55.24 H new ATOM 0 HZ2 TRP A 53 17.673 -13.873 -7.321 1.00 54.31 H new ATOM 0 HZ3 TRP A 53 18.457 -14.863 -11.408 1.00 34.34 H new ATOM 0 HH2 TRP A 53 19.062 -14.967 -9.025 1.00 23.30 H new ATOM 846 N PHE A 54 12.347 -14.430 -10.632 1.00 22.50 N ATOM 847 CA PHE A 54 12.078 -15.554 -9.743 1.00 20.43 C ATOM 848 C PHE A 54 11.512 -16.739 -10.520 1.00 21.42 C ATOM 849 O PHE A 54 11.326 -17.825 -9.969 1.00 41.13 O ATOM 850 CB PHE A 54 11.100 -15.138 -8.642 1.00 23.33 C ATOM 851 CG PHE A 54 10.792 -16.238 -7.666 1.00 63.34 C ATOM 852 CD1 PHE A 54 11.692 -16.566 -6.665 1.00 71.51 C ATOM 853 CD2 PHE A 54 9.603 -16.945 -7.751 1.00 42.54 C ATOM 854 CE1 PHE A 54 11.411 -17.578 -5.766 1.00 4.12 C ATOM 855 CE2 PHE A 54 9.317 -17.957 -6.855 1.00 1.42 C ATOM 856 CZ PHE A 54 10.223 -18.275 -5.862 1.00 12.55 C ATOM 0 H PHE A 54 11.661 -13.677 -10.579 1.00 22.50 H new ATOM 0 HA PHE A 54 13.020 -15.858 -9.287 1.00 20.43 H new ATOM 0 HB2 PHE A 54 11.515 -14.288 -8.100 1.00 23.33 H new ATOM 0 HB3 PHE A 54 10.171 -14.800 -9.101 1.00 23.33 H new ATOM 0 HD1 PHE A 54 12.623 -16.025 -6.586 1.00 71.51 H new ATOM 0 HD2 PHE A 54 8.892 -16.702 -8.527 1.00 42.54 H new ATOM 0 HE1 PHE A 54 12.120 -17.823 -4.989 1.00 4.12 H new ATOM 0 HE2 PHE A 54 8.386 -18.499 -6.931 1.00 1.42 H new ATOM 0 HZ PHE A 54 10.003 -19.067 -5.162 1.00 12.55 H new ATOM 866 N TYR A 55 11.240 -16.523 -11.802 1.00 1.43 N ATOM 867 CA TYR A 55 10.693 -17.571 -12.655 1.00 15.33 C ATOM 868 C TYR A 55 11.763 -18.128 -13.589 1.00 13.35 C ATOM 869 O TYR A 55 11.655 -19.253 -14.073 1.00 62.33 O ATOM 870 CB TYR A 55 9.518 -17.031 -13.472 1.00 12.51 C ATOM 871 CG TYR A 55 9.080 -17.954 -14.586 1.00 40.24 C ATOM 872 CD1 TYR A 55 9.678 -17.894 -15.839 1.00 72.23 C ATOM 873 CD2 TYR A 55 8.068 -18.885 -14.387 1.00 43.11 C ATOM 874 CE1 TYR A 55 9.281 -18.735 -16.861 1.00 32.21 C ATOM 875 CE2 TYR A 55 7.666 -19.731 -15.402 1.00 51.23 C ATOM 876 CZ TYR A 55 8.275 -19.652 -16.637 1.00 71.04 C ATOM 877 OH TYR A 55 7.876 -20.492 -17.652 1.00 11.13 O ATOM 0 H TYR A 55 11.390 -15.631 -12.274 1.00 1.43 H new ATOM 0 HA TYR A 55 10.341 -18.379 -12.014 1.00 15.33 H new ATOM 0 HB2 TYR A 55 8.674 -16.854 -12.805 1.00 12.51 H new ATOM 0 HB3 TYR A 55 9.795 -16.067 -13.898 1.00 12.51 H new ATOM 0 HD1 TYR A 55 10.467 -17.178 -16.017 1.00 72.23 H new ATOM 0 HD2 TYR A 55 7.587 -18.948 -13.422 1.00 43.11 H new ATOM 0 HE1 TYR A 55 9.755 -18.675 -17.829 1.00 32.21 H new ATOM 0 HE2 TYR A 55 6.879 -20.450 -15.230 1.00 51.23 H new ATOM 0 HH TYR A 55 7.159 -21.077 -17.330 1.00 11.13 H new ATOM 887 N GLY A 56 12.797 -17.329 -13.836 1.00 30.52 N ATOM 888 CA GLY A 56 13.873 -17.759 -14.710 1.00 10.31 C ATOM 889 C GLY A 56 14.948 -18.530 -13.970 1.00 72.54 C ATOM 890 O GLY A 56 15.733 -19.257 -14.581 1.00 50.35 O ATOM 0 H GLY A 56 12.909 -16.393 -13.447 1.00 30.52 H new ATOM 0 HA2 GLY A 56 13.464 -18.383 -15.504 1.00 10.31 H new ATOM 0 HA3 GLY A 56 14.319 -16.887 -15.188 1.00 10.31 H new ATOM 894 N LEU A 57 14.986 -18.373 -12.652 1.00 34.11 N ATOM 895 CA LEU A 57 15.974 -19.060 -11.827 1.00 72.04 C ATOM 896 C LEU A 57 15.970 -20.559 -12.108 1.00 72.32 C ATOM 897 O LEU A 57 14.990 -21.122 -12.597 1.00 52.42 O ATOM 898 CB LEU A 57 15.695 -18.806 -10.345 1.00 30.51 C ATOM 899 CG LEU A 57 16.196 -17.474 -9.786 1.00 74.11 C ATOM 900 CD1 LEU A 57 15.309 -17.008 -8.642 1.00 32.32 C ATOM 901 CD2 LEU A 57 17.641 -17.598 -9.327 1.00 1.23 C ATOM 0 H LEU A 57 14.344 -17.776 -12.131 1.00 34.11 H new ATOM 0 HA LEU A 57 16.959 -18.665 -12.078 1.00 72.04 H new ATOM 0 HB2 LEU A 57 14.619 -18.863 -10.184 1.00 30.51 H new ATOM 0 HB3 LEU A 57 16.147 -19.612 -9.767 1.00 30.51 H new ATOM 0 HG LEU A 57 16.151 -16.729 -10.580 1.00 74.11 H new ATOM 0 HD11 LEU A 57 15.681 -16.059 -8.257 1.00 32.32 H new ATOM 0 HD12 LEU A 57 14.288 -16.879 -9.002 1.00 32.32 H new ATOM 0 HD13 LEU A 57 15.321 -17.752 -7.846 1.00 32.32 H new ATOM 0 HD21 LEU A 57 17.981 -16.641 -8.932 1.00 1.23 H new ATOM 0 HD22 LEU A 57 17.711 -18.357 -8.548 1.00 1.23 H new ATOM 0 HD23 LEU A 57 18.268 -17.885 -10.171 1.00 1.23 H new ATOM 913 N PRO A 58 17.091 -21.224 -11.790 1.00 74.12 N ATOM 914 CA PRO A 58 17.240 -22.668 -11.997 1.00 3.40 C ATOM 915 C PRO A 58 16.370 -23.483 -11.046 1.00 43.32 C ATOM 916 O PRO A 58 15.656 -24.392 -11.468 1.00 4.33 O ATOM 917 CB PRO A 58 18.723 -22.915 -11.710 1.00 23.13 C ATOM 918 CG PRO A 58 19.122 -21.808 -10.797 1.00 3.53 C ATOM 919 CD PRO A 58 18.298 -20.618 -11.204 1.00 13.11 C ATOM 0 HA PRO A 58 16.928 -22.971 -12.997 1.00 3.40 H new ATOM 0 HB2 PRO A 58 18.879 -23.888 -11.244 1.00 23.13 H new ATOM 0 HB3 PRO A 58 19.311 -22.903 -12.628 1.00 23.13 H new ATOM 0 HG2 PRO A 58 18.936 -22.074 -9.757 1.00 3.53 H new ATOM 0 HG3 PRO A 58 20.187 -21.594 -10.886 1.00 3.53 H new ATOM 0 HD2 PRO A 58 18.056 -19.986 -10.350 1.00 13.11 H new ATOM 0 HD3 PRO A 58 18.824 -19.992 -11.925 1.00 13.11 H new ATOM 927 N GLY A 59 16.435 -23.151 -9.760 1.00 54.53 N ATOM 928 CA GLY A 59 15.647 -23.862 -8.770 1.00 43.42 C ATOM 929 C GLY A 59 14.158 -23.770 -9.039 1.00 23.31 C ATOM 930 O GLY A 59 13.709 -22.909 -9.795 1.00 33.12 O ATOM 0 H GLY A 59 17.019 -22.403 -9.386 1.00 54.53 H new ATOM 0 HA2 GLY A 59 15.946 -24.910 -8.756 1.00 43.42 H new ATOM 0 HA3 GLY A 59 15.860 -23.456 -7.781 1.00 43.42 H new ATOM 934 N SER A 60 13.391 -24.662 -8.420 1.00 0.00 N ATOM 935 CA SER A 60 11.944 -24.682 -8.601 1.00 2.13 C ATOM 936 C SER A 60 11.234 -24.917 -7.271 1.00 72.21 C ATOM 937 O SER A 60 10.670 -23.995 -6.684 1.00 53.01 O ATOM 938 CB SER A 60 11.549 -25.769 -9.602 1.00 40.33 C ATOM 939 OG SER A 60 12.241 -26.978 -9.343 1.00 4.42 O ATOM 0 H SER A 60 13.747 -25.380 -7.789 1.00 0.00 H new ATOM 0 HA SER A 60 11.638 -23.711 -8.990 1.00 2.13 H new ATOM 0 HB2 SER A 60 10.474 -25.943 -9.549 1.00 40.33 H new ATOM 0 HB3 SER A 60 11.768 -25.431 -10.615 1.00 40.33 H new ATOM 0 HG SER A 60 11.969 -27.657 -9.996 1.00 4.42 H new ATOM 945 N GLY A 61 11.266 -26.161 -6.802 1.00 3.12 N ATOM 946 CA GLY A 61 10.622 -26.497 -5.545 1.00 44.34 C ATOM 947 C GLY A 61 11.509 -26.220 -4.347 1.00 60.04 C ATOM 948 O GLY A 61 12.449 -26.968 -4.075 1.00 41.03 O ATOM 0 H GLY A 61 11.726 -26.942 -7.270 1.00 3.12 H new ATOM 0 HA2 GLY A 61 9.699 -25.926 -5.449 1.00 44.34 H new ATOM 0 HA3 GLY A 61 10.345 -27.551 -5.552 1.00 44.34 H new ATOM 952 N LEU A 62 11.212 -25.142 -3.630 1.00 32.20 N ATOM 953 CA LEU A 62 11.990 -24.767 -2.455 1.00 2.04 C ATOM 954 C LEU A 62 13.463 -24.589 -2.811 1.00 14.42 C ATOM 955 O LEU A 62 14.336 -24.678 -1.949 1.00 34.03 O ATOM 956 CB LEU A 62 11.843 -25.827 -1.361 1.00 40.24 C ATOM 957 CG LEU A 62 11.514 -25.306 0.038 1.00 23.22 C ATOM 958 CD1 LEU A 62 10.009 -25.214 0.233 1.00 11.53 C ATOM 959 CD2 LEU A 62 12.137 -26.201 1.100 1.00 44.31 C ATOM 0 H LEU A 62 10.438 -24.512 -3.842 1.00 32.20 H new ATOM 0 HA LEU A 62 11.607 -23.816 -2.085 1.00 2.04 H new ATOM 0 HB2 LEU A 62 11.060 -26.524 -1.661 1.00 40.24 H new ATOM 0 HB3 LEU A 62 12.772 -26.395 -1.306 1.00 40.24 H new ATOM 0 HG LEU A 62 11.935 -24.306 0.141 1.00 23.22 H new ATOM 0 HD11 LEU A 62 9.794 -24.841 1.234 1.00 11.53 H new ATOM 0 HD12 LEU A 62 9.587 -24.533 -0.506 1.00 11.53 H new ATOM 0 HD13 LEU A 62 9.565 -26.202 0.110 1.00 11.53 H new ATOM 0 HD21 LEU A 62 11.893 -25.815 2.090 1.00 44.31 H new ATOM 0 HD22 LEU A 62 11.746 -27.213 0.998 1.00 44.31 H new ATOM 0 HD23 LEU A 62 13.220 -26.216 0.974 1.00 44.31 H new ATOM 971 N GLY A 63 13.731 -24.333 -4.088 1.00 33.30 N ATOM 972 CA GLY A 63 15.098 -24.144 -4.535 1.00 62.04 C ATOM 973 C GLY A 63 15.423 -22.688 -4.806 1.00 63.52 C ATOM 974 O GLY A 63 16.535 -22.233 -4.536 1.00 34.05 O ATOM 0 H GLY A 63 13.026 -24.253 -4.820 1.00 33.30 H new ATOM 0 HA2 GLY A 63 15.781 -24.531 -3.779 1.00 62.04 H new ATOM 0 HA3 GLY A 63 15.264 -24.725 -5.442 1.00 62.04 H new ATOM 978 N ARG A 64 14.453 -21.957 -5.344 1.00 15.05 N ATOM 979 CA ARG A 64 14.642 -20.545 -5.654 1.00 22.20 C ATOM 980 C ARG A 64 14.774 -19.721 -4.377 1.00 3.32 C ATOM 981 O ARG A 64 15.265 -18.592 -4.403 1.00 42.33 O ATOM 982 CB ARG A 64 13.473 -20.024 -6.492 1.00 2.22 C ATOM 983 CG ARG A 64 13.059 -20.965 -7.611 1.00 15.11 C ATOM 984 CD ARG A 64 12.344 -20.221 -8.728 1.00 71.02 C ATOM 985 NE ARG A 64 11.419 -21.085 -9.457 1.00 62.10 N ATOM 986 CZ ARG A 64 10.249 -21.485 -8.972 1.00 1.45 C ATOM 987 NH1 ARG A 64 9.863 -21.099 -7.763 1.00 74.32 N ATOM 988 NH2 ARG A 64 9.463 -22.271 -9.695 1.00 55.34 N ATOM 0 H ARG A 64 13.528 -22.319 -5.574 1.00 15.05 H new ATOM 0 HA ARG A 64 15.564 -20.445 -6.227 1.00 22.20 H new ATOM 0 HB2 ARG A 64 12.618 -19.851 -5.839 1.00 2.22 H new ATOM 0 HB3 ARG A 64 13.746 -19.060 -6.922 1.00 2.22 H new ATOM 0 HG2 ARG A 64 13.940 -21.466 -8.012 1.00 15.11 H new ATOM 0 HG3 ARG A 64 12.405 -21.741 -7.212 1.00 15.11 H new ATOM 0 HD2 ARG A 64 11.797 -19.376 -8.309 1.00 71.02 H new ATOM 0 HD3 ARG A 64 13.080 -19.812 -9.420 1.00 71.02 H new ATOM 0 HE ARG A 64 11.686 -21.398 -10.390 1.00 62.10 H new ATOM 0 HH11 ARG A 64 10.465 -20.494 -7.204 1.00 74.32 H new ATOM 0 HH12 ARG A 64 8.964 -21.407 -7.392 1.00 74.32 H new ATOM 0 HH21 ARG A 64 9.757 -22.569 -10.625 1.00 55.34 H new ATOM 0 HH22 ARG A 64 8.565 -22.577 -9.321 1.00 55.34 H new ATOM 1002 N ILE A 65 14.333 -20.292 -3.262 1.00 34.25 N ATOM 1003 CA ILE A 65 14.402 -19.610 -1.975 1.00 61.31 C ATOM 1004 C ILE A 65 15.844 -19.278 -1.606 1.00 51.35 C ATOM 1005 O ILE A 65 16.131 -18.192 -1.104 1.00 22.03 O ATOM 1006 CB ILE A 65 13.780 -20.462 -0.852 1.00 44.34 C ATOM 1007 CG1 ILE A 65 12.294 -20.698 -1.126 1.00 33.42 C ATOM 1008 CG2 ILE A 65 13.975 -19.784 0.496 1.00 63.22 C ATOM 1009 CD1 ILE A 65 11.417 -19.520 -0.763 1.00 24.14 C ATOM 0 H ILE A 65 13.924 -21.226 -3.223 1.00 34.25 H new ATOM 0 HA ILE A 65 13.833 -18.686 -2.077 1.00 61.31 H new ATOM 0 HB ILE A 65 14.283 -21.428 -0.827 1.00 44.34 H new ATOM 0 HG12 ILE A 65 12.160 -20.928 -2.183 1.00 33.42 H new ATOM 0 HG13 ILE A 65 11.964 -21.572 -0.565 1.00 33.42 H new ATOM 0 HG21 ILE A 65 13.530 -20.398 1.280 1.00 63.22 H new ATOM 0 HG22 ILE A 65 15.040 -19.662 0.691 1.00 63.22 H new ATOM 0 HG23 ILE A 65 13.494 -18.806 0.484 1.00 63.22 H new ATOM 0 HD11 ILE A 65 10.377 -19.759 -0.984 1.00 24.14 H new ATOM 0 HD12 ILE A 65 11.521 -19.303 0.300 1.00 24.14 H new ATOM 0 HD13 ILE A 65 11.720 -18.648 -1.343 1.00 24.14 H new ATOM 1021 N GLU A 66 16.747 -20.220 -1.862 1.00 13.51 N ATOM 1022 CA GLU A 66 18.159 -20.025 -1.557 1.00 65.15 C ATOM 1023 C GLU A 66 18.887 -19.387 -2.737 1.00 4.20 C ATOM 1024 O GLU A 66 19.796 -18.578 -2.555 1.00 23.02 O ATOM 1025 CB GLU A 66 18.816 -21.361 -1.201 1.00 53.33 C ATOM 1026 CG GLU A 66 18.929 -22.316 -2.378 1.00 3.15 C ATOM 1027 CD GLU A 66 19.613 -23.618 -2.008 1.00 2.21 C ATOM 1028 OE1 GLU A 66 20.092 -23.730 -0.860 1.00 24.30 O ATOM 1029 OE2 GLU A 66 19.670 -24.523 -2.866 1.00 34.44 O ATOM 0 H GLU A 66 16.526 -21.124 -2.279 1.00 13.51 H new ATOM 0 HA GLU A 66 18.230 -19.353 -0.701 1.00 65.15 H new ATOM 0 HB2 GLU A 66 19.812 -21.171 -0.801 1.00 53.33 H new ATOM 0 HB3 GLU A 66 18.240 -21.840 -0.409 1.00 53.33 H new ATOM 0 HG2 GLU A 66 17.933 -22.530 -2.764 1.00 3.15 H new ATOM 0 HG3 GLU A 66 19.485 -21.833 -3.181 1.00 3.15 H new ATOM 1036 N ASN A 67 18.481 -19.758 -3.947 1.00 14.33 N ATOM 1037 CA ASN A 67 19.094 -19.223 -5.157 1.00 3.22 C ATOM 1038 C ASN A 67 18.802 -17.732 -5.302 1.00 21.42 C ATOM 1039 O ASN A 67 19.718 -16.917 -5.404 1.00 22.05 O ATOM 1040 CB ASN A 67 18.585 -19.976 -6.388 1.00 1.25 C ATOM 1041 CG ASN A 67 19.407 -21.215 -6.688 1.00 54.53 C ATOM 1042 OD1 ASN A 67 20.211 -21.228 -7.620 1.00 70.31 O ATOM 1043 ND2 ASN A 67 19.207 -22.263 -5.898 1.00 52.01 N ATOM 0 H ASN A 67 17.730 -20.427 -4.115 1.00 14.33 H new ATOM 0 HA ASN A 67 20.173 -19.358 -5.077 1.00 3.22 H new ATOM 0 HB2 ASN A 67 17.545 -20.262 -6.231 1.00 1.25 H new ATOM 0 HB3 ASN A 67 18.606 -19.311 -7.252 1.00 1.25 H new ATOM 0 HD21 ASN A 67 19.731 -23.125 -6.052 1.00 52.01 H new ATOM 0 HD22 ASN A 67 18.530 -22.206 -5.137 1.00 52.01 H new ATOM 1050 N ALA A 68 17.519 -17.384 -5.310 1.00 25.53 N ATOM 1051 CA ALA A 68 17.106 -15.993 -5.439 1.00 43.33 C ATOM 1052 C ALA A 68 17.634 -15.153 -4.281 1.00 22.11 C ATOM 1053 O ALA A 68 18.284 -14.129 -4.490 1.00 64.40 O ATOM 1054 CB ALA A 68 15.590 -15.897 -5.515 1.00 33.24 C ATOM 0 H ALA A 68 16.748 -18.047 -5.229 1.00 25.53 H new ATOM 0 HA ALA A 68 17.531 -15.599 -6.362 1.00 43.33 H new ATOM 0 HB1 ALA A 68 15.296 -14.852 -5.611 1.00 33.24 H new ATOM 0 HB2 ALA A 68 15.233 -16.455 -6.380 1.00 33.24 H new ATOM 0 HB3 ALA A 68 15.153 -16.315 -4.608 1.00 33.24 H new ATOM 1060 N MET A 69 17.350 -15.593 -3.060 1.00 14.15 N ATOM 1061 CA MET A 69 17.797 -14.881 -1.868 1.00 32.11 C ATOM 1062 C MET A 69 19.297 -14.609 -1.928 1.00 34.31 C ATOM 1063 O MET A 69 19.739 -13.476 -1.744 1.00 30.31 O ATOM 1064 CB MET A 69 17.463 -15.687 -0.611 1.00 54.20 C ATOM 1065 CG MET A 69 17.935 -15.030 0.676 1.00 43.34 C ATOM 1066 SD MET A 69 18.060 -16.195 2.046 1.00 70.34 S ATOM 1067 CE MET A 69 16.431 -16.940 2.006 1.00 3.43 C ATOM 0 H MET A 69 16.813 -16.439 -2.870 1.00 14.15 H new ATOM 0 HA MET A 69 17.274 -13.926 -1.828 1.00 32.11 H new ATOM 0 HB2 MET A 69 16.384 -15.834 -0.560 1.00 54.20 H new ATOM 0 HB3 MET A 69 17.916 -16.675 -0.692 1.00 54.20 H new ATOM 0 HG2 MET A 69 18.908 -14.568 0.508 1.00 43.34 H new ATOM 0 HG3 MET A 69 17.245 -14.231 0.946 1.00 43.34 H new ATOM 0 HE1 MET A 69 16.364 -17.710 2.774 1.00 3.43 H new ATOM 0 HE2 MET A 69 15.677 -16.176 2.192 1.00 3.43 H new ATOM 0 HE3 MET A 69 16.260 -17.388 1.027 1.00 3.43 H new ATOM 1077 N ASN A 70 20.073 -15.656 -2.186 1.00 64.31 N ATOM 1078 CA ASN A 70 21.524 -15.530 -2.269 1.00 50.33 C ATOM 1079 C ASN A 70 21.921 -14.513 -3.335 1.00 61.35 C ATOM 1080 O ASN A 70 23.020 -13.960 -3.301 1.00 32.53 O ATOM 1081 CB ASN A 70 22.158 -16.887 -2.581 1.00 41.21 C ATOM 1082 CG ASN A 70 22.206 -17.795 -1.368 1.00 3.05 C ATOM 1083 OD1 ASN A 70 21.646 -17.478 -0.318 1.00 53.24 O ATOM 1084 ND2 ASN A 70 22.879 -18.932 -1.506 1.00 13.32 N ATOM 0 H ASN A 70 19.722 -16.601 -2.341 1.00 64.31 H new ATOM 0 HA ASN A 70 21.889 -15.180 -1.304 1.00 50.33 H new ATOM 0 HB2 ASN A 70 21.593 -17.375 -3.375 1.00 41.21 H new ATOM 0 HB3 ASN A 70 23.169 -16.734 -2.958 1.00 41.21 H new ATOM 0 HD21 ASN A 70 22.947 -19.583 -0.723 1.00 13.32 H new ATOM 0 HD22 ASN A 70 23.328 -19.154 -2.395 1.00 13.32 H new ATOM 1091 N GLU A 71 21.018 -14.272 -4.281 1.00 64.42 N ATOM 1092 CA GLU A 71 21.275 -13.323 -5.357 1.00 43.53 C ATOM 1093 C GLU A 71 20.894 -11.906 -4.935 1.00 63.35 C ATOM 1094 O GLU A 71 21.696 -10.978 -5.045 1.00 21.23 O ATOM 1095 CB GLU A 71 20.497 -13.719 -6.614 1.00 3.21 C ATOM 1096 CG GLU A 71 20.875 -12.911 -7.844 1.00 3.21 C ATOM 1097 CD GLU A 71 22.376 -12.763 -8.006 1.00 53.13 C ATOM 1098 OE1 GLU A 71 23.036 -13.765 -8.353 1.00 52.22 O ATOM 1099 OE2 GLU A 71 22.890 -11.646 -7.786 1.00 74.45 O ATOM 0 H GLU A 71 20.103 -14.721 -4.323 1.00 64.42 H new ATOM 0 HA GLU A 71 22.342 -13.344 -5.578 1.00 43.53 H new ATOM 0 HB2 GLU A 71 20.667 -14.776 -6.818 1.00 3.21 H new ATOM 0 HB3 GLU A 71 19.431 -13.598 -6.424 1.00 3.21 H new ATOM 0 HG2 GLU A 71 20.463 -13.392 -8.731 1.00 3.21 H new ATOM 0 HG3 GLU A 71 20.421 -11.922 -7.778 1.00 3.21 H new ATOM 1106 N ILE A 72 19.666 -11.749 -4.454 1.00 71.12 N ATOM 1107 CA ILE A 72 19.179 -10.447 -4.016 1.00 33.23 C ATOM 1108 C ILE A 72 19.921 -9.973 -2.771 1.00 34.45 C ATOM 1109 O ILE A 72 19.884 -8.792 -2.425 1.00 63.44 O ATOM 1110 CB ILE A 72 17.668 -10.483 -3.717 1.00 42.30 C ATOM 1111 CG1 ILE A 72 16.899 -11.012 -4.929 1.00 51.01 C ATOM 1112 CG2 ILE A 72 17.172 -9.097 -3.331 1.00 72.34 C ATOM 1113 CD1 ILE A 72 17.108 -10.191 -6.183 1.00 34.54 C ATOM 0 H ILE A 72 18.990 -12.507 -4.358 1.00 71.12 H new ATOM 0 HA ILE A 72 19.363 -9.750 -4.833 1.00 33.23 H new ATOM 0 HB ILE A 72 17.494 -11.157 -2.878 1.00 42.30 H new ATOM 0 HG12 ILE A 72 17.205 -12.040 -5.123 1.00 51.01 H new ATOM 0 HG13 ILE A 72 15.835 -11.035 -4.692 1.00 51.01 H new ATOM 0 HG21 ILE A 72 16.103 -9.138 -3.123 1.00 72.34 H new ATOM 0 HG22 ILE A 72 17.702 -8.755 -2.442 1.00 72.34 H new ATOM 0 HG23 ILE A 72 17.355 -8.403 -4.152 1.00 72.34 H new ATOM 0 HD11 ILE A 72 16.533 -10.624 -7.001 1.00 34.54 H new ATOM 0 HD12 ILE A 72 16.776 -9.168 -6.008 1.00 34.54 H new ATOM 0 HD13 ILE A 72 18.166 -10.189 -6.444 1.00 34.54 H new ATOM 1125 N SER A 73 20.595 -10.903 -2.101 1.00 11.33 N ATOM 1126 CA SER A 73 21.345 -10.581 -0.892 1.00 53.11 C ATOM 1127 C SER A 73 22.741 -10.073 -1.238 1.00 62.33 C ATOM 1128 O SER A 73 23.558 -9.818 -0.353 1.00 52.21 O ATOM 1129 CB SER A 73 21.446 -11.810 0.013 1.00 63.21 C ATOM 1130 OG SER A 73 21.842 -11.447 1.324 1.00 12.32 O ATOM 0 H SER A 73 20.637 -11.885 -2.375 1.00 11.33 H new ATOM 0 HA SER A 73 20.812 -9.792 -0.362 1.00 53.11 H new ATOM 0 HB2 SER A 73 20.483 -12.319 0.049 1.00 63.21 H new ATOM 0 HB3 SER A 73 22.164 -12.515 -0.405 1.00 63.21 H new ATOM 0 HG SER A 73 22.555 -10.777 1.276 1.00 12.32 H new ATOM 1136 N ARG A 74 23.008 -9.930 -2.532 1.00 52.23 N ATOM 1137 CA ARG A 74 24.305 -9.454 -2.997 1.00 23.12 C ATOM 1138 C ARG A 74 24.249 -7.969 -3.341 1.00 15.54 C ATOM 1139 O ARG A 74 23.265 -7.290 -3.045 1.00 74.12 O ATOM 1140 CB ARG A 74 24.758 -10.255 -4.219 1.00 51.55 C ATOM 1141 CG ARG A 74 24.770 -11.757 -3.993 1.00 75.53 C ATOM 1142 CD ARG A 74 26.187 -12.286 -3.837 1.00 73.41 C ATOM 1143 NE ARG A 74 27.008 -12.007 -5.012 1.00 10.52 N ATOM 1144 CZ ARG A 74 26.977 -12.736 -6.121 1.00 74.43 C ATOM 1145 NH1 ARG A 74 26.169 -13.784 -6.207 1.00 34.12 N ATOM 1146 NH2 ARG A 74 27.754 -12.418 -7.148 1.00 61.33 N ATOM 0 H ARG A 74 22.343 -10.137 -3.277 1.00 52.23 H new ATOM 0 HA ARG A 74 25.025 -9.595 -2.191 1.00 23.12 H new ATOM 0 HB2 ARG A 74 24.099 -10.028 -5.057 1.00 51.55 H new ATOM 0 HB3 ARG A 74 25.759 -9.931 -4.504 1.00 51.55 H new ATOM 0 HG2 ARG A 74 24.191 -11.996 -3.101 1.00 75.53 H new ATOM 0 HG3 ARG A 74 24.285 -12.256 -4.832 1.00 75.53 H new ATOM 0 HD2 ARG A 74 26.647 -11.835 -2.958 1.00 73.41 H new ATOM 0 HD3 ARG A 74 26.155 -13.362 -3.664 1.00 73.41 H new ATOM 0 HE ARG A 74 27.640 -11.207 -4.979 1.00 10.52 H new ATOM 0 HH11 ARG A 74 25.569 -14.032 -5.420 1.00 34.12 H new ATOM 0 HH12 ARG A 74 26.147 -14.342 -7.060 1.00 34.12 H new ATOM 0 HH21 ARG A 74 28.376 -11.612 -7.086 1.00 61.33 H new ATOM 0 HH22 ARG A 74 27.729 -12.979 -7.999 1.00 61.33 H new