USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 1 GLN : amide:sc= -0.0463 K(o=-0.046,f=-2.9) USER MOD Single : A 1 GLN N :NH3+ -175:sc= -0.257 (180deg=-0.313) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 1.19 USER MOD Single : A 9 SER OG : rot -170:sc= -0.62 USER MOD Single : A 13 THR OG1 : rot -26:sc= 0.0331 USER MOD Single : A 14 ASN : amide:sc= -4.83! C(o=-4.8!,f=-8.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 88:sc= 0.506 USER MOD Single : A 32 HIS : no HE2:sc= 0.403 K(o=0.4,f=-4.6!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 39 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.7! (180deg=-9.64!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.041 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.69! C(o=-1.7!,f=-7.9!) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -2.84 (180deg=-4.44!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.499 (180deg=-0.607) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.018 0.122 0.104 1.00 24.31 N ATOM 2 CA GLN A 1 1.857 0.039 -1.086 1.00 53.41 C ATOM 3 C GLN A 1 1.663 -1.296 -1.797 1.00 52.22 C ATOM 4 O GLN A 1 1.758 -1.378 -3.022 1.00 42.30 O ATOM 5 CB GLN A 1 3.329 0.223 -0.713 1.00 33.35 C ATOM 6 CG GLN A 1 3.817 -0.762 0.337 1.00 22.32 C ATOM 7 CD GLN A 1 5.324 -0.737 0.505 1.00 73.44 C ATOM 8 OE1 GLN A 1 6.009 0.113 -0.064 1.00 61.10 O ATOM 9 NE2 GLN A 1 5.848 -1.672 1.288 1.00 20.43 N ATOM 0 H1 GLN A 1 1.103 1.070 0.523 1.00 24.31 H new ATOM 0 H2 GLN A 1 0.027 -0.053 -0.157 1.00 24.31 H new ATOM 0 H3 GLN A 1 1.325 -0.591 0.796 1.00 24.31 H new ATOM 0 HA GLN A 1 1.560 0.838 -1.765 1.00 53.41 H new ATOM 0 HB2 GLN A 1 3.939 0.117 -1.610 1.00 33.35 H new ATOM 0 HB3 GLN A 1 3.478 1.238 -0.344 1.00 33.35 H new ATOM 0 HG2 GLN A 1 3.345 -0.532 1.292 1.00 22.32 H new ATOM 0 HG3 GLN A 1 3.503 -1.768 0.060 1.00 22.32 H new ATOM 0 HE21 GLN A 1 5.242 -2.357 1.740 1.00 20.43 H new ATOM 0 HE22 GLN A 1 6.856 -1.705 1.438 1.00 20.43 H new ATOM 18 N TYR A 2 1.391 -2.339 -1.022 1.00 33.23 N ATOM 19 CA TYR A 2 1.186 -3.672 -1.577 1.00 42.32 C ATOM 20 C TYR A 2 0.164 -4.453 -0.758 1.00 15.45 C ATOM 21 O TYR A 2 -0.405 -3.936 0.205 1.00 45.33 O ATOM 22 CB TYR A 2 2.510 -4.436 -1.624 1.00 21.42 C ATOM 23 CG TYR A 2 3.412 -4.016 -2.762 1.00 24.10 C ATOM 24 CD1 TYR A 2 3.244 -4.539 -4.038 1.00 53.11 C ATOM 25 CD2 TYR A 2 4.433 -3.095 -2.561 1.00 63.11 C ATOM 26 CE1 TYR A 2 4.066 -4.158 -5.080 1.00 63.25 C ATOM 27 CE2 TYR A 2 5.260 -2.707 -3.598 1.00 72.41 C ATOM 28 CZ TYR A 2 5.073 -3.242 -4.856 1.00 33.14 C ATOM 29 OH TYR A 2 5.893 -2.859 -5.892 1.00 23.33 O ATOM 0 H TYR A 2 1.307 -2.288 -0.007 1.00 33.23 H new ATOM 0 HA TYR A 2 0.802 -3.560 -2.591 1.00 42.32 H new ATOM 0 HB2 TYR A 2 3.037 -4.291 -0.681 1.00 21.42 H new ATOM 0 HB3 TYR A 2 2.301 -5.502 -1.711 1.00 21.42 H new ATOM 0 HD1 TYR A 2 2.457 -5.256 -4.218 1.00 53.11 H new ATOM 0 HD2 TYR A 2 4.583 -2.675 -1.577 1.00 63.11 H new ATOM 0 HE1 TYR A 2 3.921 -4.575 -6.066 1.00 63.25 H new ATOM 0 HE2 TYR A 2 6.048 -1.989 -3.425 1.00 72.41 H new ATOM 0 HH TYR A 2 6.549 -2.207 -5.567 1.00 23.33 H new ATOM 39 N LYS A 3 -0.066 -5.702 -1.146 1.00 21.53 N ATOM 40 CA LYS A 3 -1.018 -6.558 -0.448 1.00 20.42 C ATOM 41 C LYS A 3 -0.294 -7.599 0.400 1.00 60.51 C ATOM 42 O LYS A 3 0.431 -8.446 -0.125 1.00 14.41 O ATOM 43 CB LYS A 3 -1.940 -7.254 -1.451 1.00 74.23 C ATOM 44 CG LYS A 3 -3.168 -7.882 -0.815 1.00 33.02 C ATOM 45 CD LYS A 3 -4.200 -8.273 -1.860 1.00 23.32 C ATOM 46 CE LYS A 3 -5.047 -7.082 -2.280 1.00 61.00 C ATOM 47 NZ LYS A 3 -6.199 -6.869 -1.361 1.00 32.10 N ATOM 0 H LYS A 3 0.394 -6.145 -1.941 1.00 21.53 H new ATOM 0 HA LYS A 3 -1.617 -5.930 0.212 1.00 20.42 H new ATOM 0 HB2 LYS A 3 -2.260 -6.530 -2.201 1.00 74.23 H new ATOM 0 HB3 LYS A 3 -1.377 -8.027 -1.974 1.00 74.23 H new ATOM 0 HG2 LYS A 3 -2.873 -8.764 -0.246 1.00 33.02 H new ATOM 0 HG3 LYS A 3 -3.612 -7.180 -0.109 1.00 33.02 H new ATOM 0 HD2 LYS A 3 -3.696 -8.688 -2.733 1.00 23.32 H new ATOM 0 HD3 LYS A 3 -4.844 -9.056 -1.461 1.00 23.32 H new ATOM 0 HE2 LYS A 3 -4.428 -6.185 -2.300 1.00 61.00 H new ATOM 0 HE3 LYS A 3 -5.415 -7.238 -3.294 1.00 61.00 H new ATOM 0 HZ1 LYS A 3 -6.752 -6.048 -1.681 1.00 32.10 H new ATOM 0 HZ2 LYS A 3 -6.804 -7.715 -1.361 1.00 32.10 H new ATOM 0 HZ3 LYS A 3 -5.847 -6.695 -0.398 1.00 32.10 H new ATOM 61 N ILE A 4 -0.496 -7.532 1.711 1.00 21.14 N ATOM 62 CA ILE A 4 0.136 -8.471 2.630 1.00 11.23 C ATOM 63 C ILE A 4 -0.326 -9.899 2.361 1.00 14.13 C ATOM 64 O ILE A 4 -1.427 -10.290 2.750 1.00 13.31 O ATOM 65 CB ILE A 4 -0.167 -8.113 4.097 1.00 1.13 C ATOM 66 CG1 ILE A 4 0.181 -6.648 4.370 1.00 64.20 C ATOM 67 CG2 ILE A 4 0.603 -9.030 5.036 1.00 50.30 C ATOM 68 CD1 ILE A 4 1.641 -6.321 4.141 1.00 35.43 C ATOM 0 H ILE A 4 -1.092 -6.838 2.161 1.00 21.14 H new ATOM 0 HA ILE A 4 1.211 -8.402 2.462 1.00 11.23 H new ATOM 0 HB ILE A 4 -1.233 -8.253 4.277 1.00 1.13 H new ATOM 0 HG12 ILE A 4 -0.430 -6.012 3.729 1.00 64.20 H new ATOM 0 HG13 ILE A 4 -0.080 -6.407 5.401 1.00 64.20 H new ATOM 0 HG21 ILE A 4 0.378 -8.765 6.069 1.00 50.30 H new ATOM 0 HG22 ILE A 4 0.311 -10.064 4.855 1.00 50.30 H new ATOM 0 HG23 ILE A 4 1.672 -8.919 4.857 1.00 50.30 H new ATOM 0 HD11 ILE A 4 1.815 -5.266 4.354 1.00 35.43 H new ATOM 0 HD12 ILE A 4 2.258 -6.931 4.801 1.00 35.43 H new ATOM 0 HD13 ILE A 4 1.902 -6.530 3.104 1.00 35.43 H new ATOM 80 N TYR A 5 0.522 -10.674 1.696 1.00 44.15 N ATOM 81 CA TYR A 5 0.201 -12.059 1.374 1.00 61.32 C ATOM 82 C TYR A 5 0.679 -12.999 2.476 1.00 34.44 C ATOM 83 O TYR A 5 1.541 -12.660 3.287 1.00 32.01 O ATOM 84 CB TYR A 5 0.836 -12.456 0.040 1.00 42.41 C ATOM 85 CG TYR A 5 -0.028 -12.138 -1.160 1.00 24.41 C ATOM 86 CD1 TYR A 5 -1.345 -12.575 -1.227 1.00 31.03 C ATOM 87 CD2 TYR A 5 0.474 -11.403 -2.227 1.00 33.30 C ATOM 88 CE1 TYR A 5 -2.138 -12.288 -2.321 1.00 60.41 C ATOM 89 CE2 TYR A 5 -0.312 -11.111 -3.325 1.00 13.34 C ATOM 90 CZ TYR A 5 -1.617 -11.556 -3.367 1.00 52.42 C ATOM 91 OH TYR A 5 -2.403 -11.267 -4.460 1.00 20.45 O ATOM 0 H TYR A 5 1.438 -10.367 1.369 1.00 44.15 H new ATOM 0 HA TYR A 5 -0.883 -12.144 1.292 1.00 61.32 H new ATOM 0 HB2 TYR A 5 1.792 -11.943 -0.065 1.00 42.41 H new ATOM 0 HB3 TYR A 5 1.048 -13.525 0.052 1.00 42.41 H new ATOM 0 HD1 TYR A 5 -1.756 -13.149 -0.410 1.00 31.03 H new ATOM 0 HD2 TYR A 5 1.496 -11.054 -2.197 1.00 33.30 H new ATOM 0 HE1 TYR A 5 -3.160 -12.635 -2.357 1.00 60.41 H new ATOM 0 HE2 TYR A 5 0.093 -10.538 -4.146 1.00 13.34 H new ATOM 0 HH TYR A 5 -1.885 -10.743 -5.106 1.00 20.45 H new ATOM 101 N PRO A 6 0.105 -14.212 2.508 1.00 3.31 N ATOM 102 CA PRO A 6 0.457 -15.228 3.505 1.00 55.51 C ATOM 103 C PRO A 6 1.859 -15.788 3.292 1.00 35.11 C ATOM 104 O PRO A 6 2.247 -16.105 2.167 1.00 10.35 O ATOM 105 CB PRO A 6 -0.595 -16.318 3.285 1.00 24.40 C ATOM 106 CG PRO A 6 -1.018 -16.156 1.866 1.00 64.42 C ATOM 107 CD PRO A 6 -0.929 -14.684 1.573 1.00 74.11 C ATOM 0 HA PRO A 6 0.465 -14.822 4.517 1.00 55.51 H new ATOM 0 HB2 PRO A 6 -0.180 -17.310 3.464 1.00 24.40 H new ATOM 0 HB3 PRO A 6 -1.438 -16.198 3.965 1.00 24.40 H new ATOM 0 HG2 PRO A 6 -0.372 -16.726 1.199 1.00 64.42 H new ATOM 0 HG3 PRO A 6 -2.034 -16.523 1.717 1.00 64.42 H new ATOM 0 HD2 PRO A 6 -0.649 -14.497 0.536 1.00 74.11 H new ATOM 0 HD3 PRO A 6 -1.882 -14.182 1.741 1.00 74.11 H new ATOM 115 N TYR A 7 2.613 -15.909 4.378 1.00 4.34 N ATOM 116 CA TYR A 7 3.974 -16.430 4.310 1.00 15.50 C ATOM 117 C TYR A 7 3.971 -17.918 3.977 1.00 33.41 C ATOM 118 O TYR A 7 4.870 -18.416 3.299 1.00 31.14 O ATOM 119 CB TYR A 7 4.700 -16.193 5.635 1.00 33.44 C ATOM 120 CG TYR A 7 6.085 -16.796 5.682 1.00 25.44 C ATOM 121 CD1 TYR A 7 7.142 -16.213 4.993 1.00 74.53 C ATOM 122 CD2 TYR A 7 6.339 -17.949 6.415 1.00 33.23 C ATOM 123 CE1 TYR A 7 8.409 -16.761 5.032 1.00 24.11 C ATOM 124 CE2 TYR A 7 7.603 -18.503 6.462 1.00 44.15 C ATOM 125 CZ TYR A 7 8.635 -17.905 5.768 1.00 23.52 C ATOM 126 OH TYR A 7 9.896 -18.455 5.811 1.00 42.24 O ATOM 0 H TYR A 7 2.306 -15.654 5.316 1.00 4.34 H new ATOM 0 HA TYR A 7 4.500 -15.900 3.516 1.00 15.50 H new ATOM 0 HB2 TYR A 7 4.774 -15.120 5.813 1.00 33.44 H new ATOM 0 HB3 TYR A 7 4.103 -16.610 6.446 1.00 33.44 H new ATOM 0 HD1 TYR A 7 6.969 -15.316 4.417 1.00 74.53 H new ATOM 0 HD2 TYR A 7 5.533 -18.420 6.958 1.00 33.23 H new ATOM 0 HE1 TYR A 7 9.219 -16.296 4.489 1.00 24.11 H new ATOM 0 HE2 TYR A 7 7.783 -19.399 7.038 1.00 44.15 H new ATOM 0 HH TYR A 7 10.360 -18.276 4.967 1.00 42.24 H new ATOM 136 N ASP A 8 2.953 -18.623 4.458 1.00 33.32 N ATOM 137 CA ASP A 8 2.830 -20.055 4.211 1.00 31.32 C ATOM 138 C ASP A 8 2.634 -20.335 2.725 1.00 73.54 C ATOM 139 O ASP A 8 3.074 -21.365 2.213 1.00 5.23 O ATOM 140 CB ASP A 8 1.661 -20.634 5.011 1.00 43.15 C ATOM 141 CG ASP A 8 0.408 -19.788 4.898 1.00 20.32 C ATOM 142 OD1 ASP A 8 -0.377 -20.015 3.954 1.00 12.52 O ATOM 143 OD2 ASP A 8 0.213 -18.900 5.754 1.00 52.40 O ATOM 0 H ASP A 8 2.201 -18.226 5.021 1.00 33.32 H new ATOM 0 HA ASP A 8 3.754 -20.535 4.534 1.00 31.32 H new ATOM 0 HB2 ASP A 8 1.448 -21.643 4.659 1.00 43.15 H new ATOM 0 HB3 ASP A 8 1.947 -20.716 6.060 1.00 43.15 H new ATOM 148 N SER A 9 1.968 -19.413 2.036 1.00 24.15 N ATOM 149 CA SER A 9 1.709 -19.563 0.609 1.00 23.13 C ATOM 150 C SER A 9 2.771 -18.840 -0.214 1.00 55.14 C ATOM 151 O SER A 9 3.001 -19.170 -1.379 1.00 2.24 O ATOM 152 CB SER A 9 0.321 -19.022 0.262 1.00 42.31 C ATOM 153 OG SER A 9 -0.528 -19.030 1.396 1.00 31.32 O ATOM 0 H SER A 9 1.598 -18.554 2.444 1.00 24.15 H new ATOM 0 HA SER A 9 1.748 -20.625 0.367 1.00 23.13 H new ATOM 0 HB2 SER A 9 0.409 -18.006 -0.123 1.00 42.31 H new ATOM 0 HB3 SER A 9 -0.120 -19.626 -0.531 1.00 42.31 H new ATOM 0 HG SER A 9 -1.447 -18.832 1.118 1.00 31.32 H new ATOM 159 N LEU A 10 3.414 -17.852 0.398 1.00 53.12 N ATOM 160 CA LEU A 10 4.451 -17.080 -0.277 1.00 64.34 C ATOM 161 C LEU A 10 5.751 -17.875 -0.365 1.00 55.21 C ATOM 162 O LEU A 10 6.472 -17.795 -1.360 1.00 21.32 O ATOM 163 CB LEU A 10 4.695 -15.762 0.459 1.00 22.13 C ATOM 164 CG LEU A 10 3.915 -14.552 -0.055 1.00 11.34 C ATOM 165 CD1 LEU A 10 4.217 -13.324 0.790 1.00 45.30 C ATOM 166 CD2 LEU A 10 4.241 -14.289 -1.517 1.00 41.35 C ATOM 0 H LEU A 10 3.235 -17.567 1.361 1.00 53.12 H new ATOM 0 HA LEU A 10 4.108 -16.865 -1.289 1.00 64.34 H new ATOM 0 HB2 LEU A 10 4.451 -15.906 1.511 1.00 22.13 H new ATOM 0 HB3 LEU A 10 5.759 -15.532 0.407 1.00 22.13 H new ATOM 0 HG LEU A 10 2.850 -14.770 0.025 1.00 11.34 H new ATOM 0 HD11 LEU A 10 3.653 -12.473 0.409 1.00 45.30 H new ATOM 0 HD12 LEU A 10 3.932 -13.515 1.824 1.00 45.30 H new ATOM 0 HD13 LEU A 10 5.283 -13.103 0.743 1.00 45.30 H new ATOM 0 HD21 LEU A 10 3.677 -13.424 -1.866 1.00 41.35 H new ATOM 0 HD22 LEU A 10 5.308 -14.093 -1.622 1.00 41.35 H new ATOM 0 HD23 LEU A 10 3.972 -15.162 -2.112 1.00 41.35 H new ATOM 178 N ILE A 11 6.041 -18.642 0.680 1.00 12.44 N ATOM 179 CA ILE A 11 7.251 -19.453 0.720 1.00 70.05 C ATOM 180 C ILE A 11 7.353 -20.347 -0.511 1.00 62.43 C ATOM 181 O ILE A 11 6.425 -21.090 -0.831 1.00 62.41 O ATOM 182 CB ILE A 11 7.299 -20.331 1.984 1.00 63.32 C ATOM 183 CG1 ILE A 11 5.993 -21.112 2.139 1.00 33.10 C ATOM 184 CG2 ILE A 11 7.560 -19.475 3.214 1.00 44.01 C ATOM 185 CD1 ILE A 11 5.963 -22.003 3.361 1.00 72.20 C ATOM 0 H ILE A 11 5.454 -18.719 1.511 1.00 12.44 H new ATOM 0 HA ILE A 11 8.094 -18.762 0.736 1.00 70.05 H new ATOM 0 HB ILE A 11 8.117 -21.044 1.882 1.00 63.32 H new ATOM 0 HG12 ILE A 11 5.162 -20.408 2.192 1.00 33.10 H new ATOM 0 HG13 ILE A 11 5.837 -21.723 1.250 1.00 33.10 H new ATOM 0 HG21 ILE A 11 7.591 -20.110 4.099 1.00 44.01 H new ATOM 0 HG22 ILE A 11 8.514 -18.960 3.103 1.00 44.01 H new ATOM 0 HG23 ILE A 11 6.762 -18.741 3.322 1.00 44.01 H new ATOM 0 HD11 ILE A 11 5.008 -22.526 3.407 1.00 72.20 H new ATOM 0 HD12 ILE A 11 6.772 -22.731 3.301 1.00 72.20 H new ATOM 0 HD13 ILE A 11 6.087 -21.395 4.257 1.00 72.20 H new ATOM 197 N VAL A 12 8.489 -20.272 -1.198 1.00 53.13 N ATOM 198 CA VAL A 12 8.714 -21.077 -2.393 1.00 4.40 C ATOM 199 C VAL A 12 8.654 -22.566 -2.072 1.00 3.21 C ATOM 200 O VAL A 12 8.370 -23.390 -2.942 1.00 52.51 O ATOM 201 CB VAL A 12 10.076 -20.756 -3.037 1.00 25.04 C ATOM 202 CG1 VAL A 12 10.219 -19.259 -3.268 1.00 20.44 C ATOM 203 CG2 VAL A 12 11.211 -21.281 -2.170 1.00 44.41 C ATOM 0 H VAL A 12 9.267 -19.662 -0.947 1.00 53.13 H new ATOM 0 HA VAL A 12 7.920 -20.828 -3.097 1.00 4.40 H new ATOM 0 HB VAL A 12 10.127 -21.254 -4.005 1.00 25.04 H new ATOM 0 HG11 VAL A 12 11.187 -19.052 -3.723 1.00 20.44 H new ATOM 0 HG12 VAL A 12 9.425 -18.916 -3.931 1.00 20.44 H new ATOM 0 HG13 VAL A 12 10.147 -18.735 -2.315 1.00 20.44 H new ATOM 0 HG21 VAL A 12 12.166 -21.046 -2.639 1.00 44.41 H new ATOM 0 HG22 VAL A 12 11.165 -20.812 -1.187 1.00 44.41 H new ATOM 0 HG23 VAL A 12 11.116 -22.361 -2.062 1.00 44.41 H new ATOM 213 N THR A 13 8.924 -22.906 -0.815 1.00 72.13 N ATOM 214 CA THR A 13 8.901 -24.296 -0.378 1.00 62.23 C ATOM 215 C THR A 13 7.520 -24.911 -0.572 1.00 71.11 C ATOM 216 O THR A 13 7.375 -26.132 -0.619 1.00 53.21 O ATOM 217 CB THR A 13 9.305 -24.426 1.102 1.00 23.34 C ATOM 218 OG1 THR A 13 9.262 -25.800 1.503 1.00 32.33 O ATOM 219 CG2 THR A 13 8.382 -23.605 1.989 1.00 3.55 C ATOM 0 H THR A 13 9.161 -22.237 -0.082 1.00 72.13 H new ATOM 0 HA THR A 13 9.624 -24.832 -0.993 1.00 62.23 H new ATOM 0 HB THR A 13 10.321 -24.047 1.213 1.00 23.34 H new ATOM 0 HG1 THR A 13 8.625 -26.286 0.938 1.00 32.33 H new ATOM 0 HG21 THR A 13 8.687 -23.713 3.030 1.00 3.55 H new ATOM 0 HG22 THR A 13 8.439 -22.555 1.701 1.00 3.55 H new ATOM 0 HG23 THR A 13 7.357 -23.958 1.873 1.00 3.55 H new ATOM 227 N ASN A 14 6.508 -24.057 -0.685 1.00 34.21 N ATOM 228 CA ASN A 14 5.137 -24.518 -0.874 1.00 52.31 C ATOM 229 C ASN A 14 4.782 -24.575 -2.357 1.00 12.42 C ATOM 230 O ASN A 14 3.647 -24.880 -2.722 1.00 54.45 O ATOM 231 CB ASN A 14 4.161 -23.596 -0.140 1.00 2.23 C ATOM 232 CG ASN A 14 2.889 -24.311 0.273 1.00 24.22 C ATOM 233 OD1 ASN A 14 1.843 -24.155 -0.357 1.00 3.42 O ATOM 234 ND2 ASN A 14 2.974 -25.102 1.337 1.00 41.31 N ATOM 0 H ASN A 14 6.611 -23.043 -0.649 1.00 34.21 H new ATOM 0 HA ASN A 14 5.058 -25.523 -0.460 1.00 52.31 H new ATOM 0 HB2 ASN A 14 4.648 -23.187 0.745 1.00 2.23 H new ATOM 0 HB3 ASN A 14 3.908 -22.753 -0.783 1.00 2.23 H new ATOM 0 HD21 ASN A 14 2.151 -25.610 1.662 1.00 41.31 H new ATOM 0 HD22 ASN A 14 3.862 -25.201 1.829 1.00 41.31 H new ATOM 241 N ARG A 15 5.761 -24.279 -3.206 1.00 32.42 N ATOM 242 CA ARG A 15 5.552 -24.296 -4.649 1.00 30.35 C ATOM 243 C ARG A 15 4.930 -25.617 -5.092 1.00 62.24 C ATOM 244 O ARG A 15 4.140 -25.656 -6.036 1.00 65.44 O ATOM 245 CB ARG A 15 6.877 -24.073 -5.380 1.00 0.13 C ATOM 246 CG ARG A 15 7.265 -22.609 -5.503 1.00 41.43 C ATOM 247 CD ARG A 15 8.744 -22.449 -5.821 1.00 13.05 C ATOM 248 NE ARG A 15 9.135 -23.211 -7.004 1.00 0.44 N ATOM 249 CZ ARG A 15 10.390 -23.547 -7.279 1.00 62.10 C ATOM 250 NH1 ARG A 15 11.370 -23.191 -6.460 1.00 63.50 N ATOM 251 NH2 ARG A 15 10.667 -24.241 -8.375 1.00 71.35 N ATOM 0 H ARG A 15 6.706 -24.025 -2.920 1.00 32.42 H new ATOM 0 HA ARG A 15 4.865 -23.488 -4.902 1.00 30.35 H new ATOM 0 HB2 ARG A 15 7.668 -24.607 -4.853 1.00 0.13 H new ATOM 0 HB3 ARG A 15 6.810 -24.507 -6.377 1.00 0.13 H new ATOM 0 HG2 ARG A 15 6.670 -22.139 -6.286 1.00 41.43 H new ATOM 0 HG3 ARG A 15 7.034 -22.091 -4.572 1.00 41.43 H new ATOM 0 HD2 ARG A 15 8.969 -21.394 -5.979 1.00 13.05 H new ATOM 0 HD3 ARG A 15 9.336 -22.777 -4.967 1.00 13.05 H new ATOM 0 HE ARG A 15 8.405 -23.501 -7.654 1.00 0.44 H new ATOM 0 HH11 ARG A 15 11.161 -22.658 -5.616 1.00 63.50 H new ATOM 0 HH12 ARG A 15 12.333 -23.451 -6.674 1.00 63.50 H new ATOM 0 HH21 ARG A 15 9.916 -24.517 -9.007 1.00 71.35 H new ATOM 0 HH22 ARG A 15 11.631 -24.499 -8.585 1.00 71.35 H new ATOM 265 N ILE A 16 5.292 -26.696 -4.406 1.00 42.20 N ATOM 266 CA ILE A 16 4.769 -28.017 -4.729 1.00 65.43 C ATOM 267 C ILE A 16 3.266 -28.089 -4.483 1.00 63.41 C ATOM 268 O ILE A 16 2.535 -28.736 -5.233 1.00 34.35 O ATOM 269 CB ILE A 16 5.467 -29.116 -3.905 1.00 15.32 C ATOM 270 CG1 ILE A 16 4.897 -30.490 -4.262 1.00 25.44 C ATOM 271 CG2 ILE A 16 5.309 -28.841 -2.417 1.00 30.23 C ATOM 272 CD1 ILE A 16 5.083 -30.862 -5.716 1.00 24.40 C ATOM 0 H ILE A 16 5.946 -26.681 -3.623 1.00 42.20 H new ATOM 0 HA ILE A 16 4.969 -28.185 -5.787 1.00 65.43 H new ATOM 0 HB ILE A 16 6.530 -29.111 -4.145 1.00 15.32 H new ATOM 0 HG12 ILE A 16 5.374 -31.246 -3.638 1.00 25.44 H new ATOM 0 HG13 ILE A 16 3.833 -30.506 -4.024 1.00 25.44 H new ATOM 0 HG21 ILE A 16 5.807 -29.625 -1.847 1.00 30.23 H new ATOM 0 HG22 ILE A 16 5.757 -27.877 -2.176 1.00 30.23 H new ATOM 0 HG23 ILE A 16 4.250 -28.823 -2.161 1.00 30.23 H new ATOM 0 HD11 ILE A 16 4.655 -31.848 -5.897 1.00 24.40 H new ATOM 0 HD12 ILE A 16 4.582 -30.128 -6.346 1.00 24.40 H new ATOM 0 HD13 ILE A 16 6.147 -30.879 -5.954 1.00 24.40 H new ATOM 284 N ARG A 17 2.812 -27.419 -3.429 1.00 62.40 N ATOM 285 CA ARG A 17 1.396 -27.407 -3.084 1.00 53.31 C ATOM 286 C ARG A 17 0.663 -26.299 -3.836 1.00 1.05 C ATOM 287 O ARG A 17 -0.229 -26.566 -4.641 1.00 13.54 O ATOM 288 CB ARG A 17 1.218 -27.219 -1.576 1.00 52.24 C ATOM 289 CG ARG A 17 2.134 -28.098 -0.741 1.00 11.22 C ATOM 290 CD ARG A 17 1.980 -29.567 -1.104 1.00 2.51 C ATOM 291 NE ARG A 17 0.584 -29.994 -1.076 1.00 50.01 N ATOM 292 CZ ARG A 17 0.163 -31.160 -1.552 1.00 71.41 C ATOM 293 NH1 ARG A 17 1.026 -32.011 -2.090 1.00 20.44 N ATOM 294 NH2 ARG A 17 -1.124 -31.478 -1.491 1.00 10.14 N ATOM 0 H ARG A 17 3.404 -26.878 -2.799 1.00 62.40 H new ATOM 0 HA ARG A 17 0.968 -28.366 -3.376 1.00 53.31 H new ATOM 0 HB2 ARG A 17 1.402 -26.175 -1.324 1.00 52.24 H new ATOM 0 HB3 ARG A 17 0.182 -27.433 -1.311 1.00 52.24 H new ATOM 0 HG2 ARG A 17 3.169 -27.792 -0.891 1.00 11.22 H new ATOM 0 HG3 ARG A 17 1.910 -27.958 0.316 1.00 11.22 H new ATOM 0 HD2 ARG A 17 2.392 -29.740 -2.098 1.00 2.51 H new ATOM 0 HD3 ARG A 17 2.559 -30.175 -0.409 1.00 2.51 H new ATOM 0 HE ARG A 17 -0.105 -29.362 -0.669 1.00 50.01 H new ATOM 0 HH11 ARG A 17 2.016 -31.771 -2.139 1.00 20.44 H new ATOM 0 HH12 ARG A 17 0.700 -32.906 -2.455 1.00 20.44 H new ATOM 0 HH21 ARG A 17 -1.791 -30.826 -1.078 1.00 10.14 H new ATOM 0 HH22 ARG A 17 -1.446 -32.374 -1.857 1.00 10.14 H new ATOM 308 N VAL A 18 1.046 -25.055 -3.566 1.00 41.22 N ATOM 309 CA VAL A 18 0.427 -23.906 -4.217 1.00 35.53 C ATOM 310 C VAL A 18 1.479 -22.913 -4.696 1.00 54.32 C ATOM 311 O VAL A 18 2.551 -22.792 -4.104 1.00 21.53 O ATOM 312 CB VAL A 18 -0.551 -23.185 -3.270 1.00 74.32 C ATOM 313 CG1 VAL A 18 0.200 -22.544 -2.113 1.00 72.33 C ATOM 314 CG2 VAL A 18 -1.361 -22.147 -4.032 1.00 1.42 C ATOM 0 H VAL A 18 1.782 -24.817 -2.901 1.00 41.22 H new ATOM 0 HA VAL A 18 -0.125 -24.288 -5.076 1.00 35.53 H new ATOM 0 HB VAL A 18 -1.242 -23.921 -2.859 1.00 74.32 H new ATOM 0 HG11 VAL A 18 -0.507 -22.040 -1.455 1.00 72.33 H new ATOM 0 HG12 VAL A 18 0.731 -23.314 -1.553 1.00 72.33 H new ATOM 0 HG13 VAL A 18 0.915 -21.819 -2.501 1.00 72.33 H new ATOM 0 HG21 VAL A 18 -2.047 -21.647 -3.348 1.00 1.42 H new ATOM 0 HG22 VAL A 18 -0.688 -21.412 -4.473 1.00 1.42 H new ATOM 0 HG23 VAL A 18 -1.930 -22.637 -4.822 1.00 1.42 H new ATOM 324 N LYS A 19 1.165 -22.201 -5.773 1.00 53.04 N ATOM 325 CA LYS A 19 2.081 -21.215 -6.333 1.00 44.03 C ATOM 326 C LYS A 19 1.635 -19.798 -5.986 1.00 71.34 C ATOM 327 O LYS A 19 0.505 -19.583 -5.545 1.00 42.02 O ATOM 328 CB LYS A 19 2.170 -21.376 -7.853 1.00 12.43 C ATOM 329 CG LYS A 19 2.316 -22.818 -8.304 1.00 62.33 C ATOM 330 CD LYS A 19 0.969 -23.440 -8.632 1.00 13.51 C ATOM 331 CE LYS A 19 0.929 -24.913 -8.258 1.00 72.42 C ATOM 332 NZ LYS A 19 1.308 -25.786 -9.403 1.00 63.43 N ATOM 0 H LYS A 19 0.282 -22.289 -6.276 1.00 53.04 H new ATOM 0 HA LYS A 19 3.066 -21.383 -5.898 1.00 44.03 H new ATOM 0 HB2 LYS A 19 1.275 -20.951 -8.308 1.00 12.43 H new ATOM 0 HB3 LYS A 19 3.019 -20.801 -8.222 1.00 12.43 H new ATOM 0 HG2 LYS A 19 2.961 -22.862 -9.181 1.00 62.33 H new ATOM 0 HG3 LYS A 19 2.804 -23.397 -7.520 1.00 62.33 H new ATOM 0 HD2 LYS A 19 0.182 -22.907 -8.099 1.00 13.51 H new ATOM 0 HD3 LYS A 19 0.765 -23.328 -9.697 1.00 13.51 H new ATOM 0 HE2 LYS A 19 1.606 -25.094 -7.423 1.00 72.42 H new ATOM 0 HE3 LYS A 19 -0.073 -25.174 -7.918 1.00 72.42 H new ATOM 0 HZ1 LYS A 19 1.268 -26.782 -9.108 1.00 63.43 H new ATOM 0 HZ2 LYS A 19 0.647 -25.632 -10.191 1.00 63.43 H new ATOM 0 HZ3 LYS A 19 2.274 -25.554 -9.711 1.00 63.43 H new ATOM 346 N LEU A 20 2.527 -18.835 -6.190 1.00 22.45 N ATOM 347 CA LEU A 20 2.224 -17.438 -5.900 1.00 24.14 C ATOM 348 C LEU A 20 1.155 -16.905 -6.847 1.00 54.22 C ATOM 349 O LEU A 20 1.006 -17.367 -7.979 1.00 21.45 O ATOM 350 CB LEU A 20 3.491 -16.587 -6.011 1.00 72.54 C ATOM 351 CG LEU A 20 4.733 -17.137 -5.309 1.00 33.20 C ATOM 352 CD1 LEU A 20 5.994 -16.523 -5.896 1.00 70.02 C ATOM 353 CD2 LEU A 20 4.658 -16.877 -3.812 1.00 12.34 C ATOM 0 H LEU A 20 3.466 -18.996 -6.555 1.00 22.45 H new ATOM 0 HA LEU A 20 1.842 -17.379 -4.881 1.00 24.14 H new ATOM 0 HB2 LEU A 20 3.724 -16.455 -7.068 1.00 72.54 H new ATOM 0 HB3 LEU A 20 3.277 -15.598 -5.605 1.00 72.54 H new ATOM 0 HG LEU A 20 4.770 -18.215 -5.469 1.00 33.20 H new ATOM 0 HD11 LEU A 20 6.868 -16.926 -5.384 1.00 70.02 H new ATOM 0 HD12 LEU A 20 6.054 -16.761 -6.958 1.00 70.02 H new ATOM 0 HD13 LEU A 20 5.966 -15.441 -5.767 1.00 70.02 H new ATOM 0 HD21 LEU A 20 5.550 -17.275 -3.328 1.00 12.34 H new ATOM 0 HD22 LEU A 20 4.596 -15.804 -3.632 1.00 12.34 H new ATOM 0 HD23 LEU A 20 3.774 -17.366 -3.402 1.00 12.34 H new ATOM 365 N PRO A 21 0.392 -15.907 -6.377 1.00 51.43 N ATOM 366 CA PRO A 21 -0.676 -15.287 -7.168 1.00 4.52 C ATOM 367 C PRO A 21 -0.132 -14.457 -8.326 1.00 71.12 C ATOM 368 O PRO A 21 1.060 -14.504 -8.632 1.00 13.13 O ATOM 369 CB PRO A 21 -1.390 -14.388 -6.156 1.00 11.44 C ATOM 370 CG PRO A 21 -0.359 -14.084 -5.124 1.00 43.14 C ATOM 371 CD PRO A 21 0.513 -15.306 -5.038 1.00 43.13 C ATOM 0 HA PRO A 21 -1.325 -16.031 -7.631 1.00 4.52 H new ATOM 0 HB2 PRO A 21 -1.759 -13.477 -6.627 1.00 11.44 H new ATOM 0 HB3 PRO A 21 -2.252 -14.892 -5.718 1.00 11.44 H new ATOM 0 HG2 PRO A 21 0.225 -13.207 -5.402 1.00 43.14 H new ATOM 0 HG3 PRO A 21 -0.822 -13.867 -4.162 1.00 43.14 H new ATOM 0 HD2 PRO A 21 1.546 -15.047 -4.806 1.00 43.13 H new ATOM 0 HD3 PRO A 21 0.173 -15.988 -4.259 1.00 43.13 H new ATOM 379 N LYS A 22 -1.013 -13.697 -8.968 1.00 71.53 N ATOM 380 CA LYS A 22 -0.622 -12.855 -10.093 1.00 32.44 C ATOM 381 C LYS A 22 -0.329 -11.432 -9.630 1.00 55.42 C ATOM 382 O LYS A 22 0.552 -10.763 -10.169 1.00 43.33 O ATOM 383 CB LYS A 22 -1.725 -12.842 -11.154 1.00 2.32 C ATOM 384 CG LYS A 22 -3.102 -12.530 -10.595 1.00 54.24 C ATOM 385 CD LYS A 22 -3.847 -11.537 -11.472 1.00 15.34 C ATOM 386 CE LYS A 22 -3.184 -10.168 -11.451 1.00 71.11 C ATOM 387 NZ LYS A 22 -3.087 -9.578 -12.815 1.00 72.30 N ATOM 0 H LYS A 22 -2.003 -13.647 -8.728 1.00 71.53 H new ATOM 0 HA LYS A 22 0.287 -13.271 -10.528 1.00 32.44 H new ATOM 0 HB2 LYS A 22 -1.476 -12.104 -11.916 1.00 2.32 H new ATOM 0 HB3 LYS A 22 -1.754 -13.813 -11.648 1.00 2.32 H new ATOM 0 HG2 LYS A 22 -3.680 -13.451 -10.514 1.00 54.24 H new ATOM 0 HG3 LYS A 22 -3.004 -12.125 -9.588 1.00 54.24 H new ATOM 0 HD2 LYS A 22 -3.883 -11.909 -12.496 1.00 15.34 H new ATOM 0 HD3 LYS A 22 -4.878 -11.449 -11.129 1.00 15.34 H new ATOM 0 HE2 LYS A 22 -3.753 -9.499 -10.805 1.00 71.11 H new ATOM 0 HE3 LYS A 22 -2.186 -10.254 -11.021 1.00 71.11 H new ATOM 0 HZ1 LYS A 22 -2.630 -8.646 -12.758 1.00 72.30 H new ATOM 0 HZ2 LYS A 22 -2.523 -10.204 -13.425 1.00 72.30 H new ATOM 0 HZ3 LYS A 22 -4.041 -9.472 -13.216 1.00 72.30 H new ATOM 401 N ASP A 23 -1.073 -10.975 -8.629 1.00 32.35 N ATOM 402 CA ASP A 23 -0.891 -9.632 -8.092 1.00 14.43 C ATOM 403 C ASP A 23 0.205 -9.614 -7.031 1.00 13.11 C ATOM 404 O ASP A 23 0.009 -9.100 -5.930 1.00 2.25 O ATOM 405 CB ASP A 23 -2.202 -9.115 -7.497 1.00 35.42 C ATOM 406 CG ASP A 23 -3.143 -8.570 -8.554 1.00 21.43 C ATOM 407 OD1 ASP A 23 -2.681 -7.792 -9.415 1.00 14.15 O ATOM 408 OD2 ASP A 23 -4.340 -8.923 -8.521 1.00 32.14 O ATOM 0 H ASP A 23 -1.808 -11.515 -8.173 1.00 32.35 H new ATOM 0 HA ASP A 23 -0.590 -8.979 -8.911 1.00 14.43 H new ATOM 0 HB2 ASP A 23 -2.696 -9.923 -6.957 1.00 35.42 H new ATOM 0 HB3 ASP A 23 -1.984 -8.332 -6.770 1.00 35.42 H new ATOM 413 N VAL A 24 1.359 -10.180 -7.370 1.00 33.10 N ATOM 414 CA VAL A 24 2.486 -10.229 -6.447 1.00 63.51 C ATOM 415 C VAL A 24 3.812 -10.115 -7.192 1.00 55.10 C ATOM 416 O VAL A 24 4.002 -10.734 -8.239 1.00 44.20 O ATOM 417 CB VAL A 24 2.483 -11.532 -5.626 1.00 34.43 C ATOM 418 CG1 VAL A 24 2.816 -12.723 -6.512 1.00 34.24 C ATOM 419 CG2 VAL A 24 3.459 -11.432 -4.464 1.00 25.01 C ATOM 0 H VAL A 24 1.538 -10.611 -8.277 1.00 33.10 H new ATOM 0 HA VAL A 24 2.378 -9.381 -5.771 1.00 63.51 H new ATOM 0 HB VAL A 24 1.483 -11.681 -5.219 1.00 34.43 H new ATOM 0 HG11 VAL A 24 2.809 -13.634 -5.914 1.00 34.24 H new ATOM 0 HG12 VAL A 24 2.074 -12.804 -7.306 1.00 34.24 H new ATOM 0 HG13 VAL A 24 3.804 -12.585 -6.951 1.00 34.24 H new ATOM 0 HG21 VAL A 24 3.444 -12.362 -3.895 1.00 25.01 H new ATOM 0 HG22 VAL A 24 4.464 -11.258 -4.847 1.00 25.01 H new ATOM 0 HG23 VAL A 24 3.169 -10.605 -3.816 1.00 25.01 H new ATOM 429 N ASP A 25 4.724 -9.320 -6.645 1.00 4.10 N ATOM 430 CA ASP A 25 6.034 -9.125 -7.257 1.00 12.13 C ATOM 431 C ASP A 25 7.101 -9.935 -6.527 1.00 14.13 C ATOM 432 O ASP A 25 7.504 -9.590 -5.416 1.00 44.31 O ATOM 433 CB ASP A 25 6.408 -7.642 -7.250 1.00 11.14 C ATOM 434 CG ASP A 25 7.339 -7.274 -8.388 1.00 74.14 C ATOM 435 OD1 ASP A 25 7.637 -8.157 -9.219 1.00 22.52 O ATOM 436 OD2 ASP A 25 7.769 -6.103 -8.449 1.00 21.22 O ATOM 0 H ASP A 25 4.581 -8.800 -5.779 1.00 4.10 H new ATOM 0 HA ASP A 25 5.981 -9.474 -8.288 1.00 12.13 H new ATOM 0 HB2 ASP A 25 5.501 -7.041 -7.318 1.00 11.14 H new ATOM 0 HB3 ASP A 25 6.884 -7.395 -6.301 1.00 11.14 H new ATOM 441 N ARG A 26 7.552 -11.014 -7.158 1.00 0.12 N ATOM 442 CA ARG A 26 8.570 -11.874 -6.567 1.00 61.33 C ATOM 443 C ARG A 26 9.852 -11.092 -6.295 1.00 33.21 C ATOM 444 O ARG A 26 10.585 -11.389 -5.351 1.00 61.01 O ATOM 445 CB ARG A 26 8.868 -13.056 -7.492 1.00 20.33 C ATOM 446 CG ARG A 26 9.900 -14.022 -6.932 1.00 72.02 C ATOM 447 CD ARG A 26 9.248 -15.104 -6.086 1.00 24.43 C ATOM 448 NE ARG A 26 9.963 -16.375 -6.177 1.00 51.20 N ATOM 449 CZ ARG A 26 10.004 -17.117 -7.278 1.00 23.22 C ATOM 450 NH1 ARG A 26 9.376 -16.718 -8.375 1.00 0.21 N ATOM 451 NH2 ARG A 26 10.676 -18.262 -7.283 1.00 12.33 N ATOM 0 H ARG A 26 7.229 -11.313 -8.078 1.00 0.12 H new ATOM 0 HA ARG A 26 8.186 -12.250 -5.619 1.00 61.33 H new ATOM 0 HB2 ARG A 26 7.942 -13.598 -7.685 1.00 20.33 H new ATOM 0 HB3 ARG A 26 9.221 -12.676 -8.451 1.00 20.33 H new ATOM 0 HG2 ARG A 26 10.452 -14.482 -7.752 1.00 72.02 H new ATOM 0 HG3 ARG A 26 10.624 -13.474 -6.329 1.00 72.02 H new ATOM 0 HD2 ARG A 26 9.215 -14.780 -5.046 1.00 24.43 H new ATOM 0 HD3 ARG A 26 8.216 -15.244 -6.409 1.00 24.43 H new ATOM 0 HE ARG A 26 10.457 -16.711 -5.350 1.00 51.20 H new ATOM 0 HH11 ARG A 26 8.859 -15.839 -8.376 1.00 0.21 H new ATOM 0 HH12 ARG A 26 9.410 -17.290 -9.219 1.00 0.21 H new ATOM 0 HH21 ARG A 26 11.161 -18.572 -6.441 1.00 12.33 H new ATOM 0 HH22 ARG A 26 10.707 -18.831 -8.129 1.00 12.33 H new ATOM 465 N THR A 27 10.116 -10.091 -7.129 1.00 4.15 N ATOM 466 CA THR A 27 11.309 -9.267 -6.979 1.00 64.22 C ATOM 467 C THR A 27 11.432 -8.730 -5.558 1.00 4.00 C ATOM 468 O THR A 27 12.460 -8.909 -4.903 1.00 54.14 O ATOM 469 CB THR A 27 11.302 -8.083 -7.965 1.00 34.25 C ATOM 470 OG1 THR A 27 10.610 -8.449 -9.164 1.00 11.41 O ATOM 471 CG2 THR A 27 12.720 -7.651 -8.303 1.00 24.32 C ATOM 0 H THR A 27 9.520 -9.831 -7.915 1.00 4.15 H new ATOM 0 HA THR A 27 12.164 -9.907 -7.197 1.00 64.22 H new ATOM 0 HB THR A 27 10.789 -7.247 -7.491 1.00 34.25 H new ATOM 0 HG1 THR A 27 9.654 -8.261 -9.060 1.00 11.41 H new ATOM 0 HG21 THR A 27 12.689 -6.814 -9.000 1.00 24.32 H new ATOM 0 HG22 THR A 27 13.234 -7.345 -7.392 1.00 24.32 H new ATOM 0 HG23 THR A 27 13.255 -8.484 -8.759 1.00 24.32 H new ATOM 479 N ARG A 28 10.379 -8.072 -5.086 1.00 12.30 N ATOM 480 CA ARG A 28 10.370 -7.508 -3.741 1.00 53.15 C ATOM 481 C ARG A 28 9.240 -8.107 -2.909 1.00 1.25 C ATOM 482 O ARG A 28 8.361 -7.390 -2.428 1.00 3.12 O ATOM 483 CB ARG A 28 10.220 -5.987 -3.804 1.00 42.23 C ATOM 484 CG ARG A 28 11.288 -5.304 -4.644 1.00 33.03 C ATOM 485 CD ARG A 28 12.582 -5.130 -3.865 1.00 10.23 C ATOM 486 NE ARG A 28 13.482 -6.267 -4.037 1.00 40.15 N ATOM 487 CZ ARG A 28 14.237 -6.450 -5.115 1.00 52.32 C ATOM 488 NH1 ARG A 28 14.200 -5.574 -6.110 1.00 62.54 N ATOM 489 NH2 ARG A 28 15.031 -7.510 -5.199 1.00 13.44 N ATOM 0 H ARG A 28 9.521 -7.916 -5.615 1.00 12.30 H new ATOM 0 HA ARG A 28 11.319 -7.753 -3.264 1.00 53.15 H new ATOM 0 HB2 ARG A 28 9.239 -5.744 -4.211 1.00 42.23 H new ATOM 0 HB3 ARG A 28 10.254 -5.585 -2.792 1.00 42.23 H new ATOM 0 HG2 ARG A 28 11.479 -5.893 -5.541 1.00 33.03 H new ATOM 0 HG3 ARG A 28 10.926 -4.330 -4.973 1.00 33.03 H new ATOM 0 HD2 ARG A 28 13.083 -4.219 -4.193 1.00 10.23 H new ATOM 0 HD3 ARG A 28 12.354 -5.005 -2.806 1.00 10.23 H new ATOM 0 HE ARG A 28 13.534 -6.958 -3.289 1.00 40.15 H new ATOM 0 HH11 ARG A 28 13.591 -4.758 -6.049 1.00 62.54 H new ATOM 0 HH12 ARG A 28 14.780 -5.716 -6.937 1.00 62.54 H new ATOM 0 HH21 ARG A 28 15.062 -8.186 -4.435 1.00 13.44 H new ATOM 0 HH22 ARG A 28 15.610 -7.649 -6.027 1.00 13.44 H new ATOM 503 N LEU A 29 9.269 -9.424 -2.742 1.00 63.42 N ATOM 504 CA LEU A 29 8.248 -10.121 -1.968 1.00 12.44 C ATOM 505 C LEU A 29 8.247 -9.647 -0.518 1.00 31.24 C ATOM 506 O LEU A 29 7.276 -9.850 0.210 1.00 31.14 O ATOM 507 CB LEU A 29 8.480 -11.632 -2.023 1.00 14.45 C ATOM 508 CG LEU A 29 7.229 -12.506 -1.929 1.00 71.42 C ATOM 509 CD1 LEU A 29 6.303 -12.241 -3.106 1.00 70.31 C ATOM 510 CD2 LEU A 29 7.611 -13.978 -1.870 1.00 32.33 C ATOM 0 H LEU A 29 9.989 -10.032 -3.133 1.00 63.42 H new ATOM 0 HA LEU A 29 7.276 -9.894 -2.406 1.00 12.44 H new ATOM 0 HB2 LEU A 29 8.994 -11.867 -2.955 1.00 14.45 H new ATOM 0 HB3 LEU A 29 9.153 -11.906 -1.210 1.00 14.45 H new ATOM 0 HG LEU A 29 6.699 -12.251 -1.011 1.00 71.42 H new ATOM 0 HD11 LEU A 29 5.418 -12.872 -3.022 1.00 70.31 H new ATOM 0 HD12 LEU A 29 6.003 -11.193 -3.104 1.00 70.31 H new ATOM 0 HD13 LEU A 29 6.823 -12.468 -4.037 1.00 70.31 H new ATOM 0 HD21 LEU A 29 6.709 -14.586 -1.803 1.00 32.33 H new ATOM 0 HD22 LEU A 29 8.164 -14.247 -2.770 1.00 32.33 H new ATOM 0 HD23 LEU A 29 8.235 -14.157 -0.994 1.00 32.33 H new ATOM 522 N GLU A 30 9.341 -9.014 -0.107 1.00 11.44 N ATOM 523 CA GLU A 30 9.465 -8.510 1.256 1.00 33.13 C ATOM 524 C GLU A 30 8.350 -7.518 1.573 1.00 53.40 C ATOM 525 O GLU A 30 7.784 -7.532 2.666 1.00 12.32 O ATOM 526 CB GLU A 30 10.828 -7.844 1.456 1.00 55.43 C ATOM 527 CG GLU A 30 10.933 -6.470 0.815 1.00 14.33 C ATOM 528 CD GLU A 30 12.369 -6.016 0.641 1.00 51.32 C ATOM 529 OE1 GLU A 30 13.230 -6.451 1.434 1.00 53.51 O ATOM 530 OE2 GLU A 30 12.632 -5.225 -0.290 1.00 34.41 O ATOM 0 H GLU A 30 10.154 -8.838 -0.698 1.00 11.44 H new ATOM 0 HA GLU A 30 9.379 -9.356 1.938 1.00 33.13 H new ATOM 0 HB2 GLU A 30 11.026 -7.754 2.524 1.00 55.43 H new ATOM 0 HB3 GLU A 30 11.603 -8.489 1.042 1.00 55.43 H new ATOM 0 HG2 GLU A 30 10.441 -6.488 -0.158 1.00 14.33 H new ATOM 0 HG3 GLU A 30 10.398 -5.745 1.429 1.00 14.33 H new ATOM 537 N ARG A 31 8.040 -6.657 0.609 1.00 42.02 N ATOM 538 CA ARG A 31 6.995 -5.656 0.785 1.00 73.24 C ATOM 539 C ARG A 31 5.617 -6.311 0.830 1.00 23.14 C ATOM 540 O ARG A 31 4.624 -5.670 1.176 1.00 44.32 O ATOM 541 CB ARG A 31 7.046 -4.630 -0.349 1.00 12.13 C ATOM 542 CG ARG A 31 8.168 -3.615 -0.201 1.00 70.45 C ATOM 543 CD ARG A 31 8.016 -2.469 -1.189 1.00 14.01 C ATOM 544 NE ARG A 31 8.642 -1.242 -0.704 1.00 64.12 N ATOM 545 CZ ARG A 31 8.746 -0.134 -1.429 1.00 42.12 C ATOM 546 NH1 ARG A 31 8.267 -0.099 -2.665 1.00 12.22 N ATOM 547 NH2 ARG A 31 9.330 0.942 -0.918 1.00 42.41 N ATOM 0 H ARG A 31 8.498 -6.633 -0.302 1.00 42.02 H new ATOM 0 HA ARG A 31 7.169 -5.148 1.734 1.00 73.24 H new ATOM 0 HB2 ARG A 31 7.164 -5.154 -1.297 1.00 12.13 H new ATOM 0 HB3 ARG A 31 6.093 -4.102 -0.393 1.00 12.13 H new ATOM 0 HG2 ARG A 31 8.173 -3.222 0.816 1.00 70.45 H new ATOM 0 HG3 ARG A 31 9.128 -4.107 -0.357 1.00 70.45 H new ATOM 0 HD2 ARG A 31 8.462 -2.751 -2.143 1.00 14.01 H new ATOM 0 HD3 ARG A 31 6.957 -2.287 -1.374 1.00 14.01 H new ATOM 0 HE ARG A 31 9.020 -1.236 0.243 1.00 64.12 H new ATOM 0 HH11 ARG A 31 7.817 -0.924 -3.061 1.00 12.22 H new ATOM 0 HH12 ARG A 31 8.348 0.753 -3.219 1.00 12.22 H new ATOM 0 HH21 ARG A 31 9.700 0.919 0.032 1.00 42.41 H new ATOM 0 HH22 ARG A 31 9.409 1.792 -1.476 1.00 42.41 H new ATOM 561 N HIS A 32 5.565 -7.592 0.479 1.00 32.14 N ATOM 562 CA HIS A 32 4.309 -8.334 0.480 1.00 21.34 C ATOM 563 C HIS A 32 4.146 -9.125 1.775 1.00 3.32 C ATOM 564 O HIS A 32 3.106 -9.740 2.013 1.00 71.14 O ATOM 565 CB HIS A 32 4.250 -9.280 -0.719 1.00 64.42 C ATOM 566 CG HIS A 32 3.751 -8.629 -1.972 1.00 43.10 C ATOM 567 ND1 HIS A 32 2.416 -8.379 -2.210 1.00 3.32 N ATOM 568 CD2 HIS A 32 4.417 -8.174 -3.059 1.00 42.20 C ATOM 569 CE1 HIS A 32 2.282 -7.800 -3.390 1.00 4.55 C ATOM 570 NE2 HIS A 32 3.482 -7.663 -3.925 1.00 60.43 N ATOM 0 H HIS A 32 6.377 -8.137 0.190 1.00 32.14 H new ATOM 0 HA HIS A 32 3.492 -7.616 0.408 1.00 21.34 H new ATOM 0 HB2 HIS A 32 5.246 -9.685 -0.901 1.00 64.42 H new ATOM 0 HB3 HIS A 32 3.603 -10.123 -0.475 1.00 64.42 H new ATOM 0 HD1 HIS A 32 1.651 -8.606 -1.574 1.00 3.32 H new ATOM 0 HD2 HIS A 32 5.485 -8.207 -3.216 1.00 42.20 H new ATOM 0 HE1 HIS A 32 1.350 -7.491 -3.840 1.00 4.55 H new ATOM 578 N LEU A 33 5.180 -9.104 2.609 1.00 63.41 N ATOM 579 CA LEU A 33 5.152 -9.820 3.880 1.00 45.11 C ATOM 580 C LEU A 33 5.167 -8.846 5.054 1.00 42.24 C ATOM 581 O LEU A 33 6.017 -7.959 5.126 1.00 4.52 O ATOM 582 CB LEU A 33 6.346 -10.772 3.978 1.00 75.22 C ATOM 583 CG LEU A 33 6.087 -12.101 4.689 1.00 1.11 C ATOM 584 CD1 LEU A 33 5.381 -13.075 3.760 1.00 74.44 C ATOM 585 CD2 LEU A 33 7.392 -12.697 5.197 1.00 1.52 C ATOM 0 H LEU A 33 6.048 -8.599 2.428 1.00 63.41 H new ATOM 0 HA LEU A 33 4.229 -10.398 3.923 1.00 45.11 H new ATOM 0 HB2 LEU A 33 6.699 -10.985 2.969 1.00 75.22 H new ATOM 0 HB3 LEU A 33 7.155 -10.257 4.497 1.00 75.22 H new ATOM 0 HG LEU A 33 5.439 -11.913 5.545 1.00 1.11 H new ATOM 0 HD11 LEU A 33 5.205 -14.015 4.284 1.00 74.44 H new ATOM 0 HD12 LEU A 33 4.427 -12.651 3.445 1.00 74.44 H new ATOM 0 HD13 LEU A 33 6.003 -13.259 2.884 1.00 74.44 H new ATOM 0 HD21 LEU A 33 7.189 -13.642 5.700 1.00 1.52 H new ATOM 0 HD22 LEU A 33 8.064 -12.870 4.357 1.00 1.52 H new ATOM 0 HD23 LEU A 33 7.859 -12.006 5.898 1.00 1.52 H new ATOM 597 N SER A 34 4.222 -9.019 5.972 1.00 72.03 N ATOM 598 CA SER A 34 4.125 -8.154 7.142 1.00 70.22 C ATOM 599 C SER A 34 5.476 -8.031 7.839 1.00 2.43 C ATOM 600 O SER A 34 6.390 -8.826 7.623 1.00 64.41 O ATOM 601 CB SER A 34 3.082 -8.698 8.119 1.00 35.44 C ATOM 602 OG SER A 34 3.697 -9.413 9.177 1.00 43.01 O ATOM 0 H SER A 34 3.512 -9.750 5.928 1.00 72.03 H new ATOM 0 HA SER A 34 3.817 -7.164 6.807 1.00 70.22 H new ATOM 0 HB2 SER A 34 2.496 -7.874 8.526 1.00 35.44 H new ATOM 0 HB3 SER A 34 2.389 -9.351 7.589 1.00 35.44 H new ATOM 0 HG SER A 34 3.009 -9.749 9.788 1.00 43.01 H new ATOM 608 N PRO A 35 5.607 -7.008 8.698 1.00 72.15 N ATOM 609 CA PRO A 35 6.842 -6.755 9.445 1.00 31.13 C ATOM 610 C PRO A 35 7.100 -7.812 10.513 1.00 31.43 C ATOM 611 O PRO A 35 8.225 -8.283 10.674 1.00 64.34 O ATOM 612 CB PRO A 35 6.591 -5.391 10.093 1.00 44.11 C ATOM 613 CG PRO A 35 5.109 -5.287 10.196 1.00 32.21 C ATOM 614 CD PRO A 35 4.558 -6.021 9.004 1.00 4.43 C ATOM 0 HA PRO A 35 7.721 -6.781 8.801 1.00 31.13 H new ATOM 0 HB2 PRO A 35 7.061 -5.326 11.074 1.00 44.11 H new ATOM 0 HB3 PRO A 35 7.003 -4.584 9.488 1.00 44.11 H new ATOM 0 HG2 PRO A 35 4.751 -5.728 11.126 1.00 32.21 H new ATOM 0 HG3 PRO A 35 4.790 -4.245 10.194 1.00 32.21 H new ATOM 0 HD2 PRO A 35 3.607 -6.503 9.233 1.00 4.43 H new ATOM 0 HD3 PRO A 35 4.381 -5.349 8.164 1.00 4.43 H new ATOM 622 N GLU A 36 6.050 -8.181 11.241 1.00 51.04 N ATOM 623 CA GLU A 36 6.165 -9.183 12.294 1.00 72.03 C ATOM 624 C GLU A 36 6.530 -10.545 11.711 1.00 61.30 C ATOM 625 O GLU A 36 7.264 -11.318 12.327 1.00 75.05 O ATOM 626 CB GLU A 36 4.854 -9.286 13.076 1.00 52.41 C ATOM 627 CG GLU A 36 4.721 -8.249 14.179 1.00 35.31 C ATOM 628 CD GLU A 36 5.889 -8.272 15.145 1.00 45.53 C ATOM 629 OE1 GLU A 36 5.840 -9.054 16.117 1.00 10.32 O ATOM 630 OE2 GLU A 36 6.853 -7.507 14.929 1.00 60.45 O ATOM 0 H GLU A 36 5.111 -7.801 11.121 1.00 51.04 H new ATOM 0 HA GLU A 36 6.960 -8.872 12.971 1.00 72.03 H new ATOM 0 HB2 GLU A 36 4.019 -9.178 12.384 1.00 52.41 H new ATOM 0 HB3 GLU A 36 4.779 -10.281 13.514 1.00 52.41 H new ATOM 0 HG2 GLU A 36 4.643 -7.258 13.733 1.00 35.31 H new ATOM 0 HG3 GLU A 36 3.796 -8.425 14.729 1.00 35.31 H new ATOM 637 N GLU A 37 6.012 -10.831 10.521 1.00 70.44 N ATOM 638 CA GLU A 37 6.282 -12.101 9.856 1.00 44.34 C ATOM 639 C GLU A 37 7.709 -12.139 9.316 1.00 24.02 C ATOM 640 O GLU A 37 8.388 -13.163 9.396 1.00 31.33 O ATOM 641 CB GLU A 37 5.288 -12.326 8.715 1.00 60.22 C ATOM 642 CG GLU A 37 4.255 -13.400 9.011 1.00 32.04 C ATOM 643 CD GLU A 37 3.004 -13.255 8.167 1.00 71.24 C ATOM 644 OE1 GLU A 37 3.094 -12.669 7.068 1.00 71.12 O ATOM 645 OE2 GLU A 37 1.935 -13.729 8.605 1.00 15.31 O ATOM 0 H GLU A 37 5.404 -10.201 9.998 1.00 70.44 H new ATOM 0 HA GLU A 37 6.168 -12.898 10.591 1.00 44.34 H new ATOM 0 HB2 GLU A 37 4.774 -11.389 8.502 1.00 60.22 H new ATOM 0 HB3 GLU A 37 5.837 -12.600 7.815 1.00 60.22 H new ATOM 0 HG2 GLU A 37 4.696 -14.381 8.835 1.00 32.04 H new ATOM 0 HG3 GLU A 37 3.984 -13.357 10.066 1.00 32.04 H new ATOM 652 N PHE A 38 8.158 -11.016 8.766 1.00 1.41 N ATOM 653 CA PHE A 38 9.503 -10.920 8.212 1.00 64.14 C ATOM 654 C PHE A 38 10.555 -11.141 9.295 1.00 41.50 C ATOM 655 O PHE A 38 11.535 -11.855 9.086 1.00 42.20 O ATOM 656 CB PHE A 38 9.711 -9.554 7.554 1.00 60.32 C ATOM 657 CG PHE A 38 10.483 -9.620 6.267 1.00 51.10 C ATOM 658 CD1 PHE A 38 9.934 -10.218 5.144 1.00 11.31 C ATOM 659 CD2 PHE A 38 11.758 -9.084 6.180 1.00 32.25 C ATOM 660 CE1 PHE A 38 10.641 -10.279 3.958 1.00 23.42 C ATOM 661 CE2 PHE A 38 12.470 -9.143 4.997 1.00 12.43 C ATOM 662 CZ PHE A 38 11.911 -9.742 3.885 1.00 4.02 C ATOM 0 H PHE A 38 7.610 -10.159 8.692 1.00 1.41 H new ATOM 0 HA PHE A 38 9.614 -11.699 7.458 1.00 64.14 H new ATOM 0 HB2 PHE A 38 8.739 -9.100 7.362 1.00 60.32 H new ATOM 0 HB3 PHE A 38 10.236 -8.900 8.250 1.00 60.32 H new ATOM 0 HD1 PHE A 38 8.942 -10.641 5.196 1.00 11.31 H new ATOM 0 HD2 PHE A 38 12.200 -8.615 7.046 1.00 32.25 H new ATOM 0 HE1 PHE A 38 10.201 -10.746 3.089 1.00 23.42 H new ATOM 0 HE2 PHE A 38 13.463 -8.721 4.942 1.00 12.43 H new ATOM 0 HZ PHE A 38 12.466 -9.790 2.960 1.00 4.02 H new ATOM 672 N GLN A 39 10.343 -10.521 10.452 1.00 62.23 N ATOM 673 CA GLN A 39 11.273 -10.648 11.567 1.00 23.54 C ATOM 674 C GLN A 39 11.096 -11.989 12.273 1.00 3.35 C ATOM 675 O GLN A 39 12.012 -12.478 12.934 1.00 12.22 O ATOM 676 CB GLN A 39 11.070 -9.504 12.562 1.00 53.03 C ATOM 677 CG GLN A 39 9.699 -9.506 13.219 1.00 1.22 C ATOM 678 CD GLN A 39 9.621 -10.449 14.404 1.00 43.33 C ATOM 679 OE1 GLN A 39 10.642 -10.825 14.980 1.00 21.32 O ATOM 680 NE2 GLN A 39 8.406 -10.836 14.774 1.00 42.23 N ATOM 0 H GLN A 39 9.536 -9.926 10.641 1.00 62.23 H new ATOM 0 HA GLN A 39 12.287 -10.598 11.169 1.00 23.54 H new ATOM 0 HB2 GLN A 39 11.835 -9.567 13.336 1.00 53.03 H new ATOM 0 HB3 GLN A 39 11.215 -8.555 12.046 1.00 53.03 H new ATOM 0 HG2 GLN A 39 9.456 -8.495 13.547 1.00 1.22 H new ATOM 0 HG3 GLN A 39 8.948 -9.791 12.483 1.00 1.22 H new ATOM 0 HE21 GLN A 39 7.587 -10.499 14.268 1.00 42.23 H new ATOM 0 HE22 GLN A 39 8.291 -11.470 15.565 1.00 42.23 H new ATOM 689 N GLU A 40 9.913 -12.576 12.129 1.00 73.51 N ATOM 690 CA GLU A 40 9.616 -13.860 12.755 1.00 44.14 C ATOM 691 C GLU A 40 10.121 -15.014 11.894 1.00 63.34 C ATOM 692 O GLU A 40 10.522 -16.058 12.408 1.00 21.33 O ATOM 693 CB GLU A 40 8.111 -14.003 12.988 1.00 70.45 C ATOM 694 CG GLU A 40 7.722 -15.306 13.666 1.00 15.12 C ATOM 695 CD GLU A 40 8.111 -15.340 15.131 1.00 4.32 C ATOM 696 OE1 GLU A 40 7.997 -14.291 15.799 1.00 0.32 O ATOM 697 OE2 GLU A 40 8.531 -16.414 15.609 1.00 31.24 O ATOM 0 H GLU A 40 9.144 -12.184 11.585 1.00 73.51 H new ATOM 0 HA GLU A 40 10.129 -13.895 13.716 1.00 44.14 H new ATOM 0 HB2 GLU A 40 7.765 -13.168 13.598 1.00 70.45 H new ATOM 0 HB3 GLU A 40 7.595 -13.933 12.030 1.00 70.45 H new ATOM 0 HG2 GLU A 40 6.645 -15.451 13.576 1.00 15.12 H new ATOM 0 HG3 GLU A 40 8.199 -16.138 13.148 1.00 15.12 H new ATOM 704 N VAL A 41 10.098 -14.819 10.579 1.00 0.40 N ATOM 705 CA VAL A 41 10.553 -15.842 9.646 1.00 44.14 C ATOM 706 C VAL A 41 12.060 -15.755 9.427 1.00 73.20 C ATOM 707 O VAL A 41 12.699 -16.733 9.039 1.00 71.22 O ATOM 708 CB VAL A 41 9.840 -15.719 8.286 1.00 44.41 C ATOM 709 CG1 VAL A 41 8.336 -15.868 8.456 1.00 23.00 C ATOM 710 CG2 VAL A 41 10.181 -14.392 7.624 1.00 2.35 C ATOM 0 H VAL A 41 9.769 -13.961 10.136 1.00 0.40 H new ATOM 0 HA VAL A 41 10.308 -16.807 10.090 1.00 44.14 H new ATOM 0 HB VAL A 41 10.190 -16.523 7.638 1.00 44.41 H new ATOM 0 HG11 VAL A 41 7.849 -15.778 7.485 1.00 23.00 H new ATOM 0 HG12 VAL A 41 8.113 -16.845 8.885 1.00 23.00 H new ATOM 0 HG13 VAL A 41 7.966 -15.087 9.121 1.00 23.00 H new ATOM 0 HG21 VAL A 41 9.669 -14.322 6.664 1.00 2.35 H new ATOM 0 HG22 VAL A 41 9.861 -13.572 8.267 1.00 2.35 H new ATOM 0 HG23 VAL A 41 11.258 -14.330 7.466 1.00 2.35 H new ATOM 720 N PHE A 42 12.622 -14.578 9.679 1.00 12.32 N ATOM 721 CA PHE A 42 14.054 -14.362 9.510 1.00 61.34 C ATOM 722 C PHE A 42 14.808 -14.681 10.797 1.00 2.23 C ATOM 723 O PHE A 42 15.832 -15.363 10.778 1.00 40.44 O ATOM 724 CB PHE A 42 14.328 -12.917 9.089 1.00 14.23 C ATOM 725 CG PHE A 42 14.149 -12.676 7.617 1.00 21.54 C ATOM 726 CD1 PHE A 42 13.203 -13.386 6.896 1.00 53.01 C ATOM 727 CD2 PHE A 42 14.928 -11.741 6.955 1.00 22.32 C ATOM 728 CE1 PHE A 42 13.036 -13.167 5.541 1.00 34.04 C ATOM 729 CE2 PHE A 42 14.765 -11.518 5.601 1.00 3.21 C ATOM 730 CZ PHE A 42 13.819 -12.232 4.893 1.00 32.31 C ATOM 0 H PHE A 42 12.107 -13.758 10.001 1.00 12.32 H new ATOM 0 HA PHE A 42 14.407 -15.034 8.727 1.00 61.34 H new ATOM 0 HB2 PHE A 42 13.662 -12.254 9.641 1.00 14.23 H new ATOM 0 HB3 PHE A 42 15.347 -12.652 9.371 1.00 14.23 H new ATOM 0 HD1 PHE A 42 12.589 -14.119 7.398 1.00 53.01 H new ATOM 0 HD2 PHE A 42 15.671 -11.180 7.503 1.00 22.32 H new ATOM 0 HE1 PHE A 42 12.294 -13.726 4.990 1.00 34.04 H new ATOM 0 HE2 PHE A 42 15.378 -10.785 5.097 1.00 3.21 H new ATOM 0 HZ PHE A 42 13.692 -12.060 3.834 1.00 32.31 H new ATOM 740 N GLY A 43 14.294 -14.181 11.917 1.00 55.22 N ATOM 741 CA GLY A 43 14.931 -14.422 13.198 1.00 14.43 C ATOM 742 C GLY A 43 15.305 -13.137 13.910 1.00 12.32 C ATOM 743 O GLY A 43 15.140 -13.022 15.124 1.00 3.43 O ATOM 0 H GLY A 43 13.448 -13.613 11.960 1.00 55.22 H new ATOM 0 HA2 GLY A 43 14.259 -15.002 13.831 1.00 14.43 H new ATOM 0 HA3 GLY A 43 15.827 -15.024 13.047 1.00 14.43 H new ATOM 747 N MET A 44 15.811 -12.169 13.153 1.00 2.34 N ATOM 748 CA MET A 44 16.210 -10.886 13.720 1.00 4.33 C ATOM 749 C MET A 44 15.000 -9.979 13.918 1.00 1.33 C ATOM 750 O MET A 44 13.858 -10.409 13.760 1.00 53.23 O ATOM 751 CB MET A 44 17.234 -10.199 12.813 1.00 32.55 C ATOM 752 CG MET A 44 16.829 -10.177 11.348 1.00 21.24 C ATOM 753 SD MET A 44 17.640 -11.467 10.384 1.00 2.11 S ATOM 754 CE MET A 44 18.470 -10.486 9.137 1.00 42.53 C ATOM 0 H MET A 44 15.954 -12.248 12.146 1.00 2.34 H new ATOM 0 HA MET A 44 16.665 -11.073 14.693 1.00 4.33 H new ATOM 0 HB2 MET A 44 17.382 -9.175 13.156 1.00 32.55 H new ATOM 0 HB3 MET A 44 18.192 -10.709 12.909 1.00 32.55 H new ATOM 0 HG2 MET A 44 15.748 -10.297 11.272 1.00 21.24 H new ATOM 0 HG3 MET A 44 17.072 -9.203 10.922 1.00 21.24 H new ATOM 0 HE1 MET A 44 19.461 -10.899 8.949 1.00 42.53 H new ATOM 0 HE2 MET A 44 17.889 -10.503 8.215 1.00 42.53 H new ATOM 0 HE3 MET A 44 18.566 -9.458 9.487 1.00 42.53 H new ATOM 764 N SER A 45 15.258 -8.722 14.266 1.00 64.00 N ATOM 765 CA SER A 45 14.190 -7.756 14.490 1.00 54.44 C ATOM 766 C SER A 45 13.882 -6.980 13.212 1.00 23.12 C ATOM 767 O SER A 45 14.763 -6.759 12.381 1.00 40.15 O ATOM 768 CB SER A 45 14.576 -6.786 15.608 1.00 11.20 C ATOM 769 OG SER A 45 14.842 -5.493 15.093 1.00 40.14 O ATOM 0 H SER A 45 16.198 -8.349 14.399 1.00 64.00 H new ATOM 0 HA SER A 45 13.296 -8.304 14.787 1.00 54.44 H new ATOM 0 HB2 SER A 45 13.770 -6.731 16.340 1.00 11.20 H new ATOM 0 HB3 SER A 45 15.456 -7.161 16.131 1.00 11.20 H new ATOM 0 HG SER A 45 15.085 -4.892 15.828 1.00 40.14 H new ATOM 775 N ILE A 46 12.627 -6.570 13.064 1.00 61.30 N ATOM 776 CA ILE A 46 12.203 -5.819 11.889 1.00 1.22 C ATOM 777 C ILE A 46 13.063 -4.575 11.692 1.00 1.04 C ATOM 778 O ILE A 46 13.283 -4.133 10.565 1.00 24.32 O ATOM 779 CB ILE A 46 10.726 -5.396 11.994 1.00 32.31 C ATOM 780 CG1 ILE A 46 10.152 -5.118 10.603 1.00 3.12 C ATOM 781 CG2 ILE A 46 10.587 -4.171 12.885 1.00 3.11 C ATOM 782 CD1 ILE A 46 10.312 -3.680 10.161 1.00 75.24 C ATOM 0 H ILE A 46 11.886 -6.745 13.743 1.00 61.30 H new ATOM 0 HA ILE A 46 12.323 -6.481 11.031 1.00 1.22 H new ATOM 0 HB ILE A 46 10.161 -6.213 12.443 1.00 32.31 H new ATOM 0 HG12 ILE A 46 10.643 -5.769 9.879 1.00 3.12 H new ATOM 0 HG13 ILE A 46 9.093 -5.376 10.597 1.00 3.12 H new ATOM 0 HG21 ILE A 46 9.537 -3.885 12.949 1.00 3.11 H new ATOM 0 HG22 ILE A 46 10.961 -4.402 13.882 1.00 3.11 H new ATOM 0 HG23 ILE A 46 11.163 -3.347 12.463 1.00 3.11 H new ATOM 0 HD11 ILE A 46 9.883 -3.555 9.167 1.00 75.24 H new ATOM 0 HD12 ILE A 46 9.797 -3.024 10.863 1.00 75.24 H new ATOM 0 HD13 ILE A 46 11.371 -3.423 10.134 1.00 75.24 H new ATOM 794 N GLU A 47 13.548 -4.016 12.797 1.00 33.31 N ATOM 795 CA GLU A 47 14.385 -2.824 12.745 1.00 11.50 C ATOM 796 C GLU A 47 15.692 -3.108 12.010 1.00 11.14 C ATOM 797 O GLU A 47 16.192 -2.266 11.265 1.00 22.13 O ATOM 798 CB GLU A 47 14.681 -2.319 14.159 1.00 62.21 C ATOM 799 CG GLU A 47 13.460 -2.290 15.063 1.00 23.31 C ATOM 800 CD GLU A 47 13.632 -1.356 16.245 1.00 53.10 C ATOM 801 OE1 GLU A 47 14.576 -1.567 17.035 1.00 13.11 O ATOM 802 OE2 GLU A 47 12.823 -0.415 16.380 1.00 15.41 O ATOM 0 H GLU A 47 13.375 -4.370 13.738 1.00 33.31 H new ATOM 0 HA GLU A 47 13.841 -2.053 12.198 1.00 11.50 H new ATOM 0 HB2 GLU A 47 15.442 -2.955 14.611 1.00 62.21 H new ATOM 0 HB3 GLU A 47 15.100 -1.315 14.097 1.00 62.21 H new ATOM 0 HG2 GLU A 47 12.591 -1.980 14.483 1.00 23.31 H new ATOM 0 HG3 GLU A 47 13.258 -3.297 15.427 1.00 23.31 H new ATOM 809 N GLU A 48 16.239 -4.300 12.227 1.00 33.04 N ATOM 810 CA GLU A 48 17.488 -4.695 11.587 1.00 0.42 C ATOM 811 C GLU A 48 17.370 -4.613 10.068 1.00 43.20 C ATOM 812 O GLU A 48 18.278 -4.132 9.389 1.00 72.22 O ATOM 813 CB GLU A 48 17.874 -6.115 12.004 1.00 30.31 C ATOM 814 CG GLU A 48 19.354 -6.418 11.837 1.00 54.11 C ATOM 815 CD GLU A 48 19.739 -7.773 12.399 1.00 42.51 C ATOM 816 OE1 GLU A 48 19.688 -7.937 13.636 1.00 72.31 O ATOM 817 OE2 GLU A 48 20.092 -8.667 11.603 1.00 62.23 O ATOM 0 H GLU A 48 15.837 -5.008 12.841 1.00 33.04 H new ATOM 0 HA GLU A 48 18.267 -4.005 11.911 1.00 0.42 H new ATOM 0 HB2 GLU A 48 17.596 -6.266 13.047 1.00 30.31 H new ATOM 0 HB3 GLU A 48 17.297 -6.827 11.414 1.00 30.31 H new ATOM 0 HG2 GLU A 48 19.611 -6.381 10.778 1.00 54.11 H new ATOM 0 HG3 GLU A 48 19.938 -5.643 12.334 1.00 54.11 H new ATOM 824 N PHE A 49 16.246 -5.086 9.541 1.00 31.42 N ATOM 825 CA PHE A 49 16.009 -5.069 8.102 1.00 10.24 C ATOM 826 C PHE A 49 16.111 -3.650 7.552 1.00 44.53 C ATOM 827 O PHE A 49 16.887 -3.383 6.633 1.00 13.02 O ATOM 828 CB PHE A 49 14.631 -5.653 7.784 1.00 63.52 C ATOM 829 CG PHE A 49 14.398 -7.005 8.396 1.00 74.12 C ATOM 830 CD1 PHE A 49 15.403 -7.959 8.406 1.00 53.23 C ATOM 831 CD2 PHE A 49 13.173 -7.322 8.962 1.00 42.33 C ATOM 832 CE1 PHE A 49 15.190 -9.204 8.967 1.00 12.55 C ATOM 833 CE2 PHE A 49 12.955 -8.565 9.525 1.00 14.34 C ATOM 834 CZ PHE A 49 13.965 -9.506 9.529 1.00 32.41 C ATOM 0 H PHE A 49 15.484 -5.486 10.089 1.00 31.42 H new ATOM 0 HA PHE A 49 16.774 -5.681 7.625 1.00 10.24 H new ATOM 0 HB2 PHE A 49 13.863 -4.965 8.138 1.00 63.52 H new ATOM 0 HB3 PHE A 49 14.518 -5.728 6.703 1.00 63.52 H new ATOM 0 HD1 PHE A 49 16.364 -7.727 7.970 1.00 53.23 H new ATOM 0 HD2 PHE A 49 12.380 -6.589 8.963 1.00 42.33 H new ATOM 0 HE1 PHE A 49 15.980 -9.940 8.966 1.00 12.55 H new ATOM 0 HE2 PHE A 49 11.995 -8.800 9.961 1.00 14.34 H new ATOM 0 HZ PHE A 49 13.798 -10.477 9.971 1.00 32.41 H new ATOM 844 N ASP A 50 15.323 -2.743 8.119 1.00 62.10 N ATOM 845 CA ASP A 50 15.324 -1.351 7.686 1.00 5.51 C ATOM 846 C ASP A 50 16.729 -0.760 7.760 1.00 11.44 C ATOM 847 O ASP A 50 17.134 0.015 6.894 1.00 55.43 O ATOM 848 CB ASP A 50 14.365 -0.526 8.546 1.00 72.14 C ATOM 849 CG ASP A 50 13.970 0.779 7.883 1.00 10.12 C ATOM 850 OD1 ASP A 50 14.833 1.675 7.776 1.00 44.25 O ATOM 851 OD2 ASP A 50 12.798 0.904 7.472 1.00 51.35 O ATOM 0 H ASP A 50 14.675 -2.947 8.880 1.00 62.10 H new ATOM 0 HA ASP A 50 14.989 -1.319 6.649 1.00 5.51 H new ATOM 0 HB2 ASP A 50 13.469 -1.112 8.750 1.00 72.14 H new ATOM 0 HB3 ASP A 50 14.834 -0.315 9.507 1.00 72.14 H new ATOM 856 N ARG A 51 17.467 -1.130 8.802 1.00 70.23 N ATOM 857 CA ARG A 51 18.825 -0.635 8.990 1.00 22.13 C ATOM 858 C ARG A 51 19.783 -1.282 7.994 1.00 52.43 C ATOM 859 O ARG A 51 20.813 -0.705 7.642 1.00 1.25 O ATOM 860 CB ARG A 51 19.297 -0.910 10.419 1.00 21.03 C ATOM 861 CG ARG A 51 19.032 0.238 11.380 1.00 74.42 C ATOM 862 CD ARG A 51 17.755 0.014 12.176 1.00 64.21 C ATOM 863 NE ARG A 51 17.667 0.905 13.330 1.00 71.51 N ATOM 864 CZ ARG A 51 17.418 2.206 13.236 1.00 11.03 C ATOM 865 NH1 ARG A 51 17.233 2.765 12.048 1.00 3.34 N ATOM 866 NH2 ARG A 51 17.353 2.951 14.333 1.00 74.24 N ATOM 0 H ARG A 51 17.147 -1.771 9.528 1.00 70.23 H new ATOM 0 HA ARG A 51 18.820 0.441 8.816 1.00 22.13 H new ATOM 0 HB2 ARG A 51 18.800 -1.806 10.791 1.00 21.03 H new ATOM 0 HB3 ARG A 51 20.366 -1.121 10.405 1.00 21.03 H new ATOM 0 HG2 ARG A 51 19.874 0.344 12.064 1.00 74.42 H new ATOM 0 HG3 ARG A 51 18.955 1.171 10.822 1.00 74.42 H new ATOM 0 HD2 ARG A 51 16.892 0.172 11.529 1.00 64.21 H new ATOM 0 HD3 ARG A 51 17.715 -1.022 12.514 1.00 64.21 H new ATOM 0 HE ARG A 51 17.804 0.506 14.259 1.00 71.51 H new ATOM 0 HH11 ARG A 51 17.282 2.195 11.203 1.00 3.34 H new ATOM 0 HH12 ARG A 51 17.042 3.765 11.979 1.00 3.34 H new ATOM 0 HH21 ARG A 51 17.494 2.524 15.249 1.00 74.24 H new ATOM 0 HH22 ARG A 51 17.162 3.950 14.260 1.00 74.24 H new ATOM 880 N LEU A 52 19.437 -2.482 7.542 1.00 13.10 N ATOM 881 CA LEU A 52 20.265 -3.208 6.586 1.00 45.12 C ATOM 882 C LEU A 52 20.058 -2.676 5.171 1.00 33.23 C ATOM 883 O LEU A 52 19.184 -1.843 4.933 1.00 70.11 O ATOM 884 CB LEU A 52 19.944 -4.703 6.634 1.00 54.54 C ATOM 885 CG LEU A 52 20.523 -5.476 7.819 1.00 74.34 C ATOM 886 CD1 LEU A 52 19.870 -6.845 7.933 1.00 55.02 C ATOM 887 CD2 LEU A 52 22.032 -5.613 7.680 1.00 72.30 C ATOM 0 H LEU A 52 18.588 -2.973 7.822 1.00 13.10 H new ATOM 0 HA LEU A 52 21.309 -3.059 6.861 1.00 45.12 H new ATOM 0 HB2 LEU A 52 18.860 -4.821 6.643 1.00 54.54 H new ATOM 0 HB3 LEU A 52 20.307 -5.162 5.714 1.00 54.54 H new ATOM 0 HG LEU A 52 20.311 -4.918 8.731 1.00 74.34 H new ATOM 0 HD11 LEU A 52 20.294 -7.381 8.782 1.00 55.02 H new ATOM 0 HD12 LEU A 52 18.797 -6.725 8.080 1.00 55.02 H new ATOM 0 HD13 LEU A 52 20.050 -7.411 7.019 1.00 55.02 H new ATOM 0 HD21 LEU A 52 22.427 -6.166 8.532 1.00 72.30 H new ATOM 0 HD22 LEU A 52 22.265 -6.149 6.760 1.00 72.30 H new ATOM 0 HD23 LEU A 52 22.486 -4.622 7.648 1.00 72.30 H new ATOM 899 N ALA A 53 20.865 -3.166 4.236 1.00 4.42 N ATOM 900 CA ALA A 53 20.767 -2.743 2.845 1.00 63.03 C ATOM 901 C ALA A 53 19.932 -3.725 2.030 1.00 30.14 C ATOM 902 O ALA A 53 19.545 -4.785 2.524 1.00 64.41 O ATOM 903 CB ALA A 53 22.155 -2.598 2.238 1.00 1.11 C ATOM 0 H ALA A 53 21.594 -3.856 4.417 1.00 4.42 H new ATOM 0 HA ALA A 53 20.268 -1.774 2.820 1.00 63.03 H new ATOM 0 HB1 ALA A 53 22.066 -2.282 1.199 1.00 1.11 H new ATOM 0 HB2 ALA A 53 22.721 -1.853 2.797 1.00 1.11 H new ATOM 0 HB3 ALA A 53 22.674 -3.556 2.283 1.00 1.11 H new ATOM 909 N LEU A 54 19.656 -3.366 0.782 1.00 70.15 N ATOM 910 CA LEU A 54 18.865 -4.216 -0.102 1.00 1.01 C ATOM 911 C LEU A 54 19.531 -5.575 -0.290 1.00 24.10 C ATOM 912 O LEU A 54 18.925 -6.615 -0.033 1.00 24.24 O ATOM 913 CB LEU A 54 18.674 -3.537 -1.459 1.00 42.41 C ATOM 914 CG LEU A 54 17.335 -3.789 -2.153 1.00 44.34 C ATOM 915 CD1 LEU A 54 17.499 -3.735 -3.664 1.00 41.24 C ATOM 916 CD2 LEU A 54 16.757 -5.129 -1.725 1.00 73.54 C ATOM 0 H LEU A 54 19.968 -2.492 0.358 1.00 70.15 H new ATOM 0 HA LEU A 54 17.890 -4.371 0.360 1.00 1.01 H new ATOM 0 HB2 LEU A 54 18.794 -2.462 -1.325 1.00 42.41 H new ATOM 0 HB3 LEU A 54 19.473 -3.867 -2.123 1.00 42.41 H new ATOM 0 HG LEU A 54 16.639 -3.004 -1.855 1.00 44.34 H new ATOM 0 HD11 LEU A 54 16.536 -3.917 -4.141 1.00 41.24 H new ATOM 0 HD12 LEU A 54 17.869 -2.752 -3.955 1.00 41.24 H new ATOM 0 HD13 LEU A 54 18.210 -4.498 -3.980 1.00 41.24 H new ATOM 0 HD21 LEU A 54 15.804 -5.292 -2.229 1.00 73.54 H new ATOM 0 HD22 LEU A 54 17.450 -5.926 -1.993 1.00 73.54 H new ATOM 0 HD23 LEU A 54 16.602 -5.130 -0.646 1.00 73.54 H new ATOM 928 N TRP A 55 20.781 -5.558 -0.738 1.00 25.11 N ATOM 929 CA TRP A 55 21.531 -6.790 -0.958 1.00 41.21 C ATOM 930 C TRP A 55 21.330 -7.763 0.198 1.00 62.30 C ATOM 931 O TRP A 55 21.189 -8.969 -0.009 1.00 51.34 O ATOM 932 CB TRP A 55 23.019 -6.482 -1.129 1.00 5.41 C ATOM 933 CG TRP A 55 23.685 -6.044 0.141 1.00 51.44 C ATOM 934 CD1 TRP A 55 23.822 -4.763 0.595 1.00 55.13 C ATOM 935 CD2 TRP A 55 24.306 -6.886 1.118 1.00 74.23 C ATOM 936 NE1 TRP A 55 24.490 -4.759 1.795 1.00 11.43 N ATOM 937 CE2 TRP A 55 24.797 -6.049 2.138 1.00 10.32 C ATOM 938 CE3 TRP A 55 24.492 -8.266 1.231 1.00 63.40 C ATOM 939 CZ2 TRP A 55 25.463 -6.548 3.254 1.00 11.03 C ATOM 940 CZ3 TRP A 55 25.154 -8.760 2.339 1.00 33.32 C ATOM 941 CH2 TRP A 55 25.632 -7.903 3.339 1.00 32.33 C ATOM 0 H TRP A 55 21.297 -4.705 -0.956 1.00 25.11 H new ATOM 0 HA TRP A 55 21.157 -7.256 -1.870 1.00 41.21 H new ATOM 0 HB2 TRP A 55 23.525 -7.370 -1.509 1.00 5.41 H new ATOM 0 HB3 TRP A 55 23.137 -5.702 -1.881 1.00 5.41 H new ATOM 0 HD1 TRP A 55 23.459 -3.883 0.085 1.00 55.13 H new ATOM 0 HE1 TRP A 55 24.720 -3.930 2.342 1.00 11.43 H new ATOM 0 HE3 TRP A 55 24.125 -8.935 0.466 1.00 63.40 H new ATOM 0 HZ2 TRP A 55 25.833 -5.889 4.025 1.00 11.03 H new ATOM 0 HZ3 TRP A 55 25.305 -9.825 2.436 1.00 33.32 H new ATOM 0 HH2 TRP A 55 26.144 -8.320 4.194 1.00 32.33 H new ATOM 952 N LYS A 56 21.318 -7.234 1.417 1.00 43.25 N ATOM 953 CA LYS A 56 21.133 -8.056 2.607 1.00 42.54 C ATOM 954 C LYS A 56 19.705 -8.587 2.684 1.00 4.33 C ATOM 955 O LYS A 56 19.488 -9.782 2.886 1.00 51.44 O ATOM 956 CB LYS A 56 21.457 -7.247 3.865 1.00 21.21 C ATOM 957 CG LYS A 56 21.599 -8.098 5.115 1.00 70.50 C ATOM 958 CD LYS A 56 22.987 -8.708 5.220 1.00 72.22 C ATOM 959 CE LYS A 56 23.204 -9.370 6.572 1.00 60.43 C ATOM 960 NZ LYS A 56 24.631 -9.314 6.994 1.00 12.33 N ATOM 0 H LYS A 56 21.434 -6.239 1.607 1.00 43.25 H new ATOM 0 HA LYS A 56 21.814 -8.905 2.543 1.00 42.54 H new ATOM 0 HB2 LYS A 56 22.383 -6.696 3.704 1.00 21.21 H new ATOM 0 HB3 LYS A 56 20.671 -6.509 4.025 1.00 21.21 H new ATOM 0 HG2 LYS A 56 21.401 -7.488 5.996 1.00 70.50 H new ATOM 0 HG3 LYS A 56 20.852 -8.892 5.103 1.00 70.50 H new ATOM 0 HD2 LYS A 56 23.123 -9.444 4.427 1.00 72.22 H new ATOM 0 HD3 LYS A 56 23.739 -7.933 5.068 1.00 72.22 H new ATOM 0 HE2 LYS A 56 22.584 -8.878 7.321 1.00 60.43 H new ATOM 0 HE3 LYS A 56 22.880 -10.410 6.524 1.00 60.43 H new ATOM 0 HZ1 LYS A 56 24.738 -9.775 7.920 1.00 12.33 H new ATOM 0 HZ2 LYS A 56 25.220 -9.806 6.292 1.00 12.33 H new ATOM 0 HZ3 LYS A 56 24.933 -8.321 7.065 1.00 12.33 H new ATOM 974 N ARG A 57 18.736 -7.692 2.522 1.00 3.22 N ATOM 975 CA ARG A 57 17.330 -8.071 2.574 1.00 74.32 C ATOM 976 C ARG A 57 17.027 -9.176 1.566 1.00 62.13 C ATOM 977 O ARG A 57 16.249 -10.088 1.844 1.00 41.52 O ATOM 978 CB ARG A 57 16.441 -6.857 2.297 1.00 3.23 C ATOM 979 CG ARG A 57 16.852 -5.614 3.069 1.00 0.52 C ATOM 980 CD ARG A 57 15.701 -5.067 3.899 1.00 74.05 C ATOM 981 NE ARG A 57 14.578 -4.644 3.065 1.00 21.32 N ATOM 982 CZ ARG A 57 14.522 -3.469 2.448 1.00 24.24 C ATOM 983 NH1 ARG A 57 15.520 -2.605 2.570 1.00 2.23 N ATOM 984 NH2 ARG A 57 13.467 -3.157 1.707 1.00 10.02 N ATOM 0 H ARG A 57 18.899 -6.699 2.354 1.00 3.22 H new ATOM 0 HA ARG A 57 17.119 -8.447 3.575 1.00 74.32 H new ATOM 0 HB2 ARG A 57 16.464 -6.636 1.230 1.00 3.23 H new ATOM 0 HB3 ARG A 57 15.410 -7.107 2.549 1.00 3.23 H new ATOM 0 HG2 ARG A 57 17.692 -5.851 3.722 1.00 0.52 H new ATOM 0 HG3 ARG A 57 17.195 -4.849 2.373 1.00 0.52 H new ATOM 0 HD2 ARG A 57 15.365 -5.831 4.600 1.00 74.05 H new ATOM 0 HD3 ARG A 57 16.051 -4.222 4.492 1.00 74.05 H new ATOM 0 HE ARG A 57 13.794 -5.286 2.950 1.00 21.32 H new ATOM 0 HH11 ARG A 57 16.333 -2.842 3.139 1.00 2.23 H new ATOM 0 HH12 ARG A 57 15.475 -1.703 2.095 1.00 2.23 H new ATOM 0 HH21 ARG A 57 12.698 -3.820 1.611 1.00 10.02 H new ATOM 0 HH22 ARG A 57 13.425 -2.254 1.234 1.00 10.02 H new ATOM 998 N ASN A 58 17.648 -9.087 0.394 1.00 52.12 N ATOM 999 CA ASN A 58 17.444 -10.078 -0.656 1.00 62.24 C ATOM 1000 C ASN A 58 18.013 -11.432 -0.244 1.00 21.42 C ATOM 1001 O ASN A 58 17.324 -12.451 -0.304 1.00 2.14 O ATOM 1002 CB ASN A 58 18.098 -9.613 -1.959 1.00 60.22 C ATOM 1003 CG ASN A 58 17.170 -8.755 -2.797 1.00 64.05 C ATOM 1004 OD1 ASN A 58 15.988 -9.063 -2.947 1.00 13.34 O ATOM 1005 ND2 ASN A 58 17.705 -7.672 -3.350 1.00 34.02 N ATOM 0 H ASN A 58 18.296 -8.339 0.148 1.00 52.12 H new ATOM 0 HA ASN A 58 16.371 -10.187 -0.814 1.00 62.24 H new ATOM 0 HB2 ASN A 58 19.001 -9.048 -1.728 1.00 60.22 H new ATOM 0 HB3 ASN A 58 18.406 -10.483 -2.539 1.00 60.22 H new ATOM 0 HD21 ASN A 58 17.131 -7.057 -3.926 1.00 34.02 H new ATOM 0 HD22 ASN A 58 18.690 -7.456 -3.198 1.00 34.02 H new ATOM 1012 N ASP A 59 19.274 -11.435 0.175 1.00 33.31 N ATOM 1013 CA ASP A 59 19.936 -12.664 0.600 1.00 55.54 C ATOM 1014 C ASP A 59 19.128 -13.369 1.684 1.00 33.14 C ATOM 1015 O ASP A 59 18.817 -14.555 1.569 1.00 34.32 O ATOM 1016 CB ASP A 59 21.344 -12.358 1.112 1.00 32.32 C ATOM 1017 CG ASP A 59 22.109 -13.613 1.484 1.00 63.14 C ATOM 1018 OD1 ASP A 59 21.735 -14.701 0.999 1.00 31.21 O ATOM 1019 OD2 ASP A 59 23.082 -13.507 2.260 1.00 64.15 O ATOM 0 H ASP A 59 19.858 -10.601 0.230 1.00 33.31 H new ATOM 0 HA ASP A 59 20.008 -13.327 -0.262 1.00 55.54 H new ATOM 0 HB2 ASP A 59 21.896 -11.813 0.346 1.00 32.32 H new ATOM 0 HB3 ASP A 59 21.277 -11.705 1.982 1.00 32.32 H new ATOM 1024 N LEU A 60 18.792 -12.633 2.738 1.00 51.22 N ATOM 1025 CA LEU A 60 18.021 -13.188 3.845 1.00 52.12 C ATOM 1026 C LEU A 60 16.693 -13.756 3.353 1.00 44.10 C ATOM 1027 O LEU A 60 16.237 -14.796 3.827 1.00 34.15 O ATOM 1028 CB LEU A 60 17.768 -12.114 4.905 1.00 72.42 C ATOM 1029 CG LEU A 60 19.008 -11.414 5.461 1.00 64.44 C ATOM 1030 CD1 LEU A 60 18.680 -9.985 5.863 1.00 35.23 C ATOM 1031 CD2 LEU A 60 19.572 -12.188 6.644 1.00 51.40 C ATOM 0 H LEU A 60 19.042 -11.650 2.849 1.00 51.22 H new ATOM 0 HA LEU A 60 18.600 -13.998 4.288 1.00 52.12 H new ATOM 0 HB2 LEU A 60 17.110 -11.358 4.477 1.00 72.42 H new ATOM 0 HB3 LEU A 60 17.231 -12.571 5.736 1.00 72.42 H new ATOM 0 HG LEU A 60 19.766 -11.383 4.678 1.00 64.44 H new ATOM 0 HD11 LEU A 60 19.575 -9.503 6.256 1.00 35.23 H new ATOM 0 HD12 LEU A 60 18.325 -9.434 4.992 1.00 35.23 H new ATOM 0 HD13 LEU A 60 17.905 -9.991 6.629 1.00 35.23 H new ATOM 0 HD21 LEU A 60 20.454 -11.675 7.027 1.00 51.40 H new ATOM 0 HD22 LEU A 60 18.819 -12.251 7.430 1.00 51.40 H new ATOM 0 HD23 LEU A 60 19.847 -13.193 6.324 1.00 51.40 H new ATOM 1043 N LYS A 61 16.079 -13.067 2.397 1.00 20.21 N ATOM 1044 CA LYS A 61 14.806 -13.504 1.837 1.00 55.40 C ATOM 1045 C LYS A 61 14.917 -14.913 1.264 1.00 5.12 C ATOM 1046 O LYS A 61 14.162 -15.809 1.641 1.00 24.41 O ATOM 1047 CB LYS A 61 14.345 -12.534 0.747 1.00 43.55 C ATOM 1048 CG LYS A 61 13.416 -11.445 1.254 1.00 50.40 C ATOM 1049 CD LYS A 61 12.618 -10.821 0.122 1.00 54.53 C ATOM 1050 CE LYS A 61 13.350 -9.637 -0.491 1.00 5.34 C ATOM 1051 NZ LYS A 61 12.448 -8.797 -1.326 1.00 15.15 N ATOM 0 H LYS A 61 16.443 -12.203 1.994 1.00 20.21 H new ATOM 0 HA LYS A 61 14.070 -13.515 2.641 1.00 55.40 H new ATOM 0 HB2 LYS A 61 15.220 -12.070 0.292 1.00 43.55 H new ATOM 0 HB3 LYS A 61 13.838 -13.096 -0.037 1.00 43.55 H new ATOM 0 HG2 LYS A 61 12.734 -11.863 1.994 1.00 50.40 H new ATOM 0 HG3 LYS A 61 13.999 -10.674 1.758 1.00 50.40 H new ATOM 0 HD2 LYS A 61 12.428 -11.570 -0.647 1.00 54.53 H new ATOM 0 HD3 LYS A 61 11.647 -10.496 0.496 1.00 54.53 H new ATOM 0 HE2 LYS A 61 13.782 -9.027 0.302 1.00 5.34 H new ATOM 0 HE3 LYS A 61 14.177 -9.999 -1.102 1.00 5.34 H new ATOM 0 HZ1 LYS A 61 12.963 -8.463 -2.165 1.00 15.15 H new ATOM 0 HZ2 LYS A 61 11.627 -9.361 -1.625 1.00 15.15 H new ATOM 0 HZ3 LYS A 61 12.123 -7.979 -0.771 1.00 15.15 H new ATOM 1065 N LYS A 62 15.865 -15.103 0.352 1.00 2.54 N ATOM 1066 CA LYS A 62 16.079 -16.403 -0.271 1.00 33.21 C ATOM 1067 C LYS A 62 16.286 -17.485 0.784 1.00 11.15 C ATOM 1068 O LYS A 62 15.773 -18.597 0.658 1.00 60.02 O ATOM 1069 CB LYS A 62 17.288 -16.351 -1.207 1.00 42.20 C ATOM 1070 CG LYS A 62 17.150 -15.329 -2.322 1.00 44.31 C ATOM 1071 CD LYS A 62 18.375 -14.434 -2.413 1.00 22.01 C ATOM 1072 CE LYS A 62 18.184 -13.330 -3.441 1.00 53.40 C ATOM 1073 NZ LYS A 62 19.409 -12.497 -3.595 1.00 53.13 N ATOM 0 H LYS A 62 16.498 -14.372 0.028 1.00 2.54 H new ATOM 0 HA LYS A 62 15.189 -16.650 -0.850 1.00 33.21 H new ATOM 0 HB2 LYS A 62 18.179 -16.121 -0.623 1.00 42.20 H new ATOM 0 HB3 LYS A 62 17.440 -17.337 -1.646 1.00 42.20 H new ATOM 0 HG2 LYS A 62 17.003 -15.843 -3.272 1.00 44.31 H new ATOM 0 HG3 LYS A 62 16.264 -14.718 -2.149 1.00 44.31 H new ATOM 0 HD2 LYS A 62 18.578 -13.993 -1.437 1.00 22.01 H new ATOM 0 HD3 LYS A 62 19.246 -15.033 -2.679 1.00 22.01 H new ATOM 0 HE2 LYS A 62 17.921 -13.771 -4.403 1.00 53.40 H new ATOM 0 HE3 LYS A 62 17.349 -12.696 -3.142 1.00 53.40 H new ATOM 0 HZ1 LYS A 62 19.181 -11.643 -4.143 1.00 53.13 H new ATOM 0 HZ2 LYS A 62 19.762 -12.222 -2.656 1.00 53.13 H new ATOM 0 HZ3 LYS A 62 20.140 -13.044 -4.093 1.00 53.13 H new ATOM 1087 N LYS A 63 17.040 -17.151 1.827 1.00 75.53 N ATOM 1088 CA LYS A 63 17.313 -18.093 2.906 1.00 13.33 C ATOM 1089 C LYS A 63 16.030 -18.459 3.646 1.00 22.03 C ATOM 1090 O LYS A 63 15.885 -19.577 4.140 1.00 41.10 O ATOM 1091 CB LYS A 63 18.327 -17.497 3.886 1.00 73.04 C ATOM 1092 CG LYS A 63 19.725 -17.362 3.307 1.00 75.32 C ATOM 1093 CD LYS A 63 20.739 -16.997 4.378 1.00 73.13 C ATOM 1094 CE LYS A 63 20.705 -15.510 4.693 1.00 2.41 C ATOM 1095 NZ LYS A 63 21.909 -15.077 5.455 1.00 43.20 N ATOM 0 H LYS A 63 17.473 -16.235 1.947 1.00 75.53 H new ATOM 0 HA LYS A 63 17.730 -18.999 2.467 1.00 13.33 H new ATOM 0 HB2 LYS A 63 17.978 -16.515 4.204 1.00 73.04 H new ATOM 0 HB3 LYS A 63 18.371 -18.124 4.777 1.00 73.04 H new ATOM 0 HG2 LYS A 63 20.016 -18.300 2.834 1.00 75.32 H new ATOM 0 HG3 LYS A 63 19.725 -16.599 2.529 1.00 75.32 H new ATOM 0 HD2 LYS A 63 20.534 -17.567 5.284 1.00 73.13 H new ATOM 0 HD3 LYS A 63 21.738 -17.277 4.045 1.00 73.13 H new ATOM 0 HE2 LYS A 63 20.640 -14.943 3.764 1.00 2.41 H new ATOM 0 HE3 LYS A 63 19.809 -15.281 5.269 1.00 2.41 H new ATOM 0 HZ1 LYS A 63 21.848 -14.057 5.650 1.00 43.20 H new ATOM 0 HZ2 LYS A 63 21.958 -15.599 6.353 1.00 43.20 H new ATOM 0 HZ3 LYS A 63 22.763 -15.272 4.895 1.00 43.20 H new ATOM 1109 N ALA A 64 15.102 -17.510 3.718 1.00 61.41 N ATOM 1110 CA ALA A 64 13.831 -17.735 4.394 1.00 33.13 C ATOM 1111 C ALA A 64 12.842 -18.453 3.481 1.00 4.13 C ATOM 1112 O ALA A 64 11.672 -18.620 3.826 1.00 73.02 O ATOM 1113 CB ALA A 64 13.247 -16.414 4.873 1.00 73.14 C ATOM 0 H ALA A 64 15.207 -16.578 3.316 1.00 61.41 H new ATOM 0 HA ALA A 64 14.016 -18.373 5.258 1.00 33.13 H new ATOM 0 HB1 ALA A 64 12.298 -16.597 5.376 1.00 73.14 H new ATOM 0 HB2 ALA A 64 13.940 -15.940 5.568 1.00 73.14 H new ATOM 0 HB3 ALA A 64 13.084 -15.757 4.019 1.00 73.14 H new ATOM 1119 N LEU A 65 13.320 -18.875 2.316 1.00 42.12 N ATOM 1120 CA LEU A 65 12.478 -19.575 1.352 1.00 51.20 C ATOM 1121 C LEU A 65 11.456 -18.627 0.733 1.00 51.04 C ATOM 1122 O LEU A 65 10.339 -19.030 0.404 1.00 1.40 O ATOM 1123 CB LEU A 65 11.761 -20.746 2.027 1.00 43.32 C ATOM 1124 CG LEU A 65 12.601 -21.577 2.998 1.00 52.14 C ATOM 1125 CD1 LEU A 65 11.706 -22.443 3.871 1.00 50.32 C ATOM 1126 CD2 LEU A 65 13.600 -22.436 2.237 1.00 22.53 C ATOM 0 H LEU A 65 14.286 -18.745 2.016 1.00 42.12 H new ATOM 0 HA LEU A 65 13.119 -19.958 0.558 1.00 51.20 H new ATOM 0 HB2 LEU A 65 10.898 -20.355 2.567 1.00 43.32 H new ATOM 0 HB3 LEU A 65 11.378 -21.408 1.250 1.00 43.32 H new ATOM 0 HG LEU A 65 13.155 -20.897 3.644 1.00 52.14 H new ATOM 0 HD11 LEU A 65 12.321 -23.027 4.556 1.00 50.32 H new ATOM 0 HD12 LEU A 65 11.030 -21.807 4.443 1.00 50.32 H new ATOM 0 HD13 LEU A 65 11.125 -23.116 3.241 1.00 50.32 H new ATOM 0 HD21 LEU A 65 14.189 -23.021 2.943 1.00 22.53 H new ATOM 0 HD22 LEU A 65 13.065 -23.109 1.567 1.00 22.53 H new ATOM 0 HD23 LEU A 65 14.262 -21.795 1.655 1.00 22.53 H new ATOM 1138 N LEU A 66 11.846 -17.367 0.574 1.00 55.01 N ATOM 1139 CA LEU A 66 10.964 -16.361 -0.009 1.00 21.13 C ATOM 1140 C LEU A 66 11.148 -16.286 -1.521 1.00 70.31 C ATOM 1141 O LEU A 66 10.207 -15.989 -2.257 1.00 41.14 O ATOM 1142 CB LEU A 66 11.235 -14.992 0.618 1.00 63.31 C ATOM 1143 CG LEU A 66 10.314 -14.586 1.768 1.00 33.24 C ATOM 1144 CD1 LEU A 66 11.038 -13.658 2.731 1.00 43.14 C ATOM 1145 CD2 LEU A 66 9.053 -13.924 1.233 1.00 14.22 C ATOM 0 H LEU A 66 12.766 -17.017 0.840 1.00 55.01 H new ATOM 0 HA LEU A 66 9.934 -16.652 0.199 1.00 21.13 H new ATOM 0 HB2 LEU A 66 12.263 -14.978 0.980 1.00 63.31 H new ATOM 0 HB3 LEU A 66 11.162 -14.236 -0.164 1.00 63.31 H new ATOM 0 HG LEU A 66 10.026 -15.486 2.311 1.00 33.24 H new ATOM 0 HD11 LEU A 66 10.366 -13.380 3.543 1.00 43.14 H new ATOM 0 HD12 LEU A 66 11.910 -14.167 3.140 1.00 43.14 H new ATOM 0 HD13 LEU A 66 11.357 -12.761 2.201 1.00 43.14 H new ATOM 0 HD21 LEU A 66 8.409 -13.642 2.066 1.00 14.22 H new ATOM 0 HD22 LEU A 66 9.323 -13.034 0.665 1.00 14.22 H new ATOM 0 HD23 LEU A 66 8.523 -14.622 0.585 1.00 14.22 H new ATOM 1157 N PHE A 67 12.365 -16.560 -1.978 1.00 64.12 N ATOM 1158 CA PHE A 67 12.673 -16.525 -3.403 1.00 73.12 C ATOM 1159 C PHE A 67 12.931 -17.930 -3.939 1.00 21.44 C ATOM 1160 O PHE A 67 13.955 -18.541 -3.636 1.00 22.51 O ATOM 1161 CB PHE A 67 13.891 -15.636 -3.662 1.00 61.51 C ATOM 1162 CG PHE A 67 13.620 -14.173 -3.459 1.00 73.23 C ATOM 1163 CD1 PHE A 67 12.327 -13.716 -3.261 1.00 50.45 C ATOM 1164 CD2 PHE A 67 14.658 -13.255 -3.467 1.00 35.10 C ATOM 1165 CE1 PHE A 67 12.074 -12.370 -3.074 1.00 52.21 C ATOM 1166 CE2 PHE A 67 14.411 -11.908 -3.280 1.00 35.22 C ATOM 1167 CZ PHE A 67 13.117 -11.465 -3.084 1.00 40.24 C ATOM 0 H PHE A 67 13.155 -16.809 -1.382 1.00 64.12 H new ATOM 0 HA PHE A 67 11.811 -16.109 -3.925 1.00 73.12 H new ATOM 0 HB2 PHE A 67 14.701 -15.942 -3.001 1.00 61.51 H new ATOM 0 HB3 PHE A 67 14.236 -15.795 -4.684 1.00 61.51 H new ATOM 0 HD1 PHE A 67 11.508 -14.419 -3.253 1.00 50.45 H new ATOM 0 HD2 PHE A 67 15.671 -13.596 -3.621 1.00 35.10 H new ATOM 0 HE1 PHE A 67 11.062 -12.026 -2.920 1.00 52.21 H new ATOM 0 HE2 PHE A 67 15.229 -11.202 -3.287 1.00 35.22 H new ATOM 0 HZ PHE A 67 12.922 -10.413 -2.939 1.00 40.24 H new TER 1177 PHE A 67