USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 987 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 33 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 129 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4!) USER MOD Set 2.1: A 71 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.55) USER MOD Set 2.2: A 104 THR OG1 : rot 180:sc= 0.00777 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -114:sc= 0.0655 (180deg=-0.107) USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= -0.154 USER MOD Set 4.1: A 51 SER OG : rot 80:sc= 0.834 USER MOD Set 4.2: A 69 HIS : no HD1:sc= -0.458 K(o=0.38,f=-0.53) USER MOD Set 5.1: A 16 SER OG : rot 109:sc= 0.857 USER MOD Set 5.2: A 58 MET CE :methyl -147:sc= 0 (180deg=-0.256) USER MOD Set 6.1: A 5 THR OG1 : rot 108:sc= 0.499 USER MOD Set 6.2: A 127 HIS : no HD1:sc= -0.258 K(o=0.24,f=-2.6) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000432) USER MOD Single : A 1 MET N :NH3+ -126:sc= 1.22 (180deg=-0.226) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= 0.569 (180deg=0.486) USER MOD Single : A 6 TYR OH : rot -167:sc= 0.622 USER MOD Single : A 7 TYR OH : rot 165:sc= 0.517 USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 0.663 (180deg=0.336) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0139 (180deg=-0.185) USER MOD Single : A 28 ASN : amide:sc= -0.795 K(o=-0.79,f=-0.0045) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.786 K(o=-0.79,f=-7.7!) USER MOD Single : A 40 ASN : amide:sc= 0.425 K(o=0.43,f=-6.7!) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0232 (180deg=-0.219) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.28) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000961 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 56 TYR OH : rot 61:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0.738 (180deg=0.731) USER MOD Single : A 83 GLN : amide:sc= 0.899 K(o=0.9,f=-3.1!) USER MOD Single : A 86 THR OG1 : rot -32:sc= 0.552 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 35:sc= -0.0664 USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 0.646 (180deg=0.33) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.145 K(o=0.57,f=-3.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 101 SER OG : rot 40:sc= 0.0494 USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 0.666 (180deg=0.597) USER MOD Single : A 108 LYS NZ :NH3+ -151:sc= 0.614 (180deg=0.215) USER MOD Single : A 109 LYS NZ :NH3+ -125:sc= 0.62 (180deg=-0.566) USER MOD Single : A 115 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.44) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc=-0.00354 (180deg=-0.00354) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 171:sc=-0.00501 (180deg=-0.0845) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 128 HIS : no HE2:sc= 0.054 K(o=0.054,f=-2.2!) USER MOD Single : A 130 HIS : no HE2:sc= 0.36 K(o=0.36,f=-1.3) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.427 -7.551 16.690 1.00 25.52 N ATOM 2 CA MET A 1 3.581 -8.579 15.643 1.00 62.11 C ATOM 3 C MET A 1 4.881 -9.341 15.812 1.00 75.12 C ATOM 4 O MET A 1 5.778 -8.928 16.548 1.00 24.20 O ATOM 5 CB MET A 1 3.494 -7.988 14.222 1.00 51.11 C ATOM 6 CG MET A 1 4.428 -6.819 13.945 1.00 50.44 C ATOM 7 SD MET A 1 3.756 -5.247 14.505 1.00 11.34 S ATOM 8 CE MET A 1 5.086 -4.159 14.032 1.00 63.20 C ATOM 0 H1 MET A 1 2.515 -7.681 17.173 1.00 25.52 H new ATOM 0 H2 MET A 1 4.200 -7.640 17.380 1.00 25.52 H new ATOM 0 H3 MET A 1 3.457 -6.606 16.256 1.00 25.52 H new ATOM 0 HA MET A 1 2.747 -9.271 15.764 1.00 62.11 H new ATOM 0 HB2 MET A 1 3.707 -8.780 13.504 1.00 51.11 H new ATOM 0 HB3 MET A 1 2.469 -7.663 14.044 1.00 51.11 H new ATOM 0 HG2 MET A 1 5.383 -6.998 14.438 1.00 50.44 H new ATOM 0 HG3 MET A 1 4.627 -6.764 12.875 1.00 50.44 H new ATOM 0 HE1 MET A 1 4.842 -3.138 14.324 1.00 63.20 H new ATOM 0 HE2 MET A 1 6.004 -4.469 14.530 1.00 63.20 H new ATOM 0 HE3 MET A 1 5.226 -4.204 12.952 1.00 63.20 H new ATOM 20 N LYS A 2 4.956 -10.465 15.122 1.00 61.44 N ATOM 21 CA LYS A 2 6.115 -11.336 15.156 1.00 22.45 C ATOM 22 C LYS A 2 6.809 -11.247 13.806 1.00 13.14 C ATOM 23 O LYS A 2 6.425 -10.419 12.987 1.00 5.41 O ATOM 24 CB LYS A 2 5.649 -12.765 15.460 1.00 51.12 C ATOM 25 CG LYS A 2 4.921 -12.867 16.789 1.00 33.04 C ATOM 26 CD LYS A 2 4.212 -14.196 16.970 1.00 72.13 C ATOM 27 CE LYS A 2 3.459 -14.221 18.288 1.00 74.21 C ATOM 28 NZ LYS A 2 2.768 -15.511 18.521 1.00 22.02 N ATOM 0 H LYS A 2 4.207 -10.801 14.517 1.00 61.44 H new ATOM 0 HA LYS A 2 6.820 -11.039 15.933 1.00 22.45 H new ATOM 0 HB2 LYS A 2 4.991 -13.107 14.661 1.00 51.12 H new ATOM 0 HB3 LYS A 2 6.512 -13.431 15.469 1.00 51.12 H new ATOM 0 HG2 LYS A 2 5.635 -12.728 17.601 1.00 33.04 H new ATOM 0 HG3 LYS A 2 4.193 -12.059 16.862 1.00 33.04 H new ATOM 0 HD2 LYS A 2 3.519 -14.361 16.145 1.00 72.13 H new ATOM 0 HD3 LYS A 2 4.938 -15.009 16.943 1.00 72.13 H new ATOM 0 HE2 LYS A 2 4.156 -14.033 19.105 1.00 74.21 H new ATOM 0 HE3 LYS A 2 2.728 -13.413 18.301 1.00 74.21 H new ATOM 0 HZ1 LYS A 2 2.442 -15.557 19.508 1.00 22.02 H new ATOM 0 HZ2 LYS A 2 1.950 -15.587 17.883 1.00 22.02 H new ATOM 0 HZ3 LYS A 2 3.426 -16.295 18.336 1.00 22.02 H new ATOM 42 N ASP A 3 7.821 -12.065 13.561 1.00 70.25 N ATOM 43 CA ASP A 3 8.444 -12.098 12.247 1.00 41.24 C ATOM 44 C ASP A 3 7.518 -12.815 11.252 1.00 15.35 C ATOM 45 O ASP A 3 6.914 -13.845 11.566 1.00 22.32 O ATOM 46 CB ASP A 3 9.848 -12.734 12.302 1.00 41.41 C ATOM 47 CG ASP A 3 9.860 -14.214 12.640 1.00 13.20 C ATOM 48 OD1 ASP A 3 9.633 -14.569 13.815 1.00 61.23 O ATOM 49 OD2 ASP A 3 10.123 -15.024 11.732 1.00 11.12 O ATOM 0 H ASP A 3 8.224 -12.706 14.244 1.00 70.25 H new ATOM 0 HA ASP A 3 8.588 -11.075 11.899 1.00 41.24 H new ATOM 0 HB2 ASP A 3 10.335 -12.591 11.337 1.00 41.41 H new ATOM 0 HB3 ASP A 3 10.445 -12.201 13.042 1.00 41.41 H new ATOM 54 N GLY A 4 7.345 -12.204 10.097 1.00 74.21 N ATOM 55 CA GLY A 4 6.516 -12.764 9.052 1.00 34.55 C ATOM 56 C GLY A 4 6.154 -11.718 8.029 1.00 55.11 C ATOM 57 O GLY A 4 6.618 -10.580 8.111 1.00 64.31 O ATOM 0 H GLY A 4 7.773 -11.310 9.858 1.00 74.21 H new ATOM 0 HA2 GLY A 4 7.043 -13.585 8.566 1.00 34.55 H new ATOM 0 HA3 GLY A 4 5.608 -13.181 9.488 1.00 34.55 H new ATOM 61 N THR A 5 5.334 -12.085 7.066 1.00 74.12 N ATOM 62 CA THR A 5 4.916 -11.141 6.048 1.00 44.35 C ATOM 63 C THR A 5 3.412 -10.963 6.122 1.00 70.44 C ATOM 64 O THR A 5 2.659 -11.926 6.064 1.00 22.13 O ATOM 65 CB THR A 5 5.331 -11.592 4.640 1.00 24.33 C ATOM 66 OG1 THR A 5 6.537 -12.345 4.714 1.00 53.03 O ATOM 67 CG2 THR A 5 5.564 -10.396 3.740 1.00 54.22 C ATOM 0 H THR A 5 4.946 -13.023 6.966 1.00 74.12 H new ATOM 0 HA THR A 5 5.414 -10.190 6.239 1.00 44.35 H new ATOM 0 HB THR A 5 4.527 -12.202 4.228 1.00 24.33 H new ATOM 0 HG1 THR A 5 6.344 -13.290 4.541 1.00 53.03 H new ATOM 0 HG21 THR A 5 5.857 -10.739 2.748 1.00 54.22 H new ATOM 0 HG22 THR A 5 4.647 -9.812 3.666 1.00 54.22 H new ATOM 0 HG23 THR A 5 6.356 -9.775 4.158 1.00 54.22 H new ATOM 75 N TYR A 6 2.995 -9.728 6.281 1.00 44.52 N ATOM 76 CA TYR A 6 1.609 -9.408 6.551 1.00 23.53 C ATOM 77 C TYR A 6 1.064 -8.553 5.434 1.00 2.45 C ATOM 78 O TYR A 6 1.408 -7.390 5.336 1.00 13.42 O ATOM 79 CB TYR A 6 1.515 -8.640 7.883 1.00 1.33 C ATOM 80 CG TYR A 6 2.139 -9.369 9.047 1.00 13.13 C ATOM 81 CD1 TYR A 6 1.406 -10.269 9.777 1.00 1.34 C ATOM 82 CD2 TYR A 6 3.471 -9.175 9.395 1.00 3.10 C ATOM 83 CE1 TYR A 6 1.972 -10.966 10.813 1.00 62.20 C ATOM 84 CE2 TYR A 6 4.040 -9.868 10.441 1.00 53.00 C ATOM 85 CZ TYR A 6 3.281 -10.766 11.144 1.00 34.43 C ATOM 86 OH TYR A 6 3.826 -11.479 12.178 1.00 61.24 O ATOM 0 H TYR A 6 3.607 -8.914 6.227 1.00 44.52 H new ATOM 0 HA TYR A 6 1.027 -10.327 6.619 1.00 23.53 H new ATOM 0 HB2 TYR A 6 2.002 -7.671 7.769 1.00 1.33 H new ATOM 0 HB3 TYR A 6 0.466 -8.446 8.107 1.00 1.33 H new ATOM 0 HD1 TYR A 6 0.367 -10.431 9.532 1.00 1.34 H new ATOM 0 HD2 TYR A 6 4.069 -8.470 8.837 1.00 3.10 H new ATOM 0 HE1 TYR A 6 1.379 -11.677 11.370 1.00 62.20 H new ATOM 0 HE2 TYR A 6 5.075 -9.705 10.704 1.00 53.00 H new ATOM 0 HH TYR A 6 4.689 -11.087 12.427 1.00 61.24 H new ATOM 96 N TYR A 7 0.215 -9.104 4.592 1.00 52.43 N ATOM 97 CA TYR A 7 -0.360 -8.308 3.526 1.00 4.41 C ATOM 98 C TYR A 7 -1.861 -8.156 3.760 1.00 14.35 C ATOM 99 O TYR A 7 -2.485 -8.990 4.427 1.00 64.42 O ATOM 100 CB TYR A 7 -0.026 -8.909 2.128 1.00 64.35 C ATOM 101 CG TYR A 7 -1.129 -9.711 1.461 1.00 33.12 C ATOM 102 CD1 TYR A 7 -1.341 -11.046 1.776 1.00 2.43 C ATOM 103 CD2 TYR A 7 -1.973 -9.117 0.525 1.00 72.31 C ATOM 104 CE1 TYR A 7 -2.360 -11.760 1.181 1.00 4.31 C ATOM 105 CE2 TYR A 7 -2.996 -9.823 -0.065 1.00 62.13 C ATOM 106 CZ TYR A 7 -3.186 -11.145 0.267 1.00 71.15 C ATOM 107 OH TYR A 7 -4.210 -11.855 -0.309 1.00 51.40 O ATOM 0 H TYR A 7 -0.088 -10.078 4.621 1.00 52.43 H new ATOM 0 HA TYR A 7 0.083 -7.312 3.536 1.00 4.41 H new ATOM 0 HB2 TYR A 7 0.254 -8.093 1.462 1.00 64.35 H new ATOM 0 HB3 TYR A 7 0.849 -9.550 2.231 1.00 64.35 H new ATOM 0 HD1 TYR A 7 -0.700 -11.532 2.496 1.00 2.43 H new ATOM 0 HD2 TYR A 7 -1.821 -8.082 0.257 1.00 72.31 H new ATOM 0 HE1 TYR A 7 -2.510 -12.800 1.432 1.00 4.31 H new ATOM 0 HE2 TYR A 7 -3.645 -9.344 -0.783 1.00 62.13 H new ATOM 0 HH TYR A 7 -4.838 -11.236 -0.737 1.00 51.40 H new ATOM 117 N ALA A 8 -2.423 -7.084 3.234 1.00 5.13 N ATOM 118 CA ALA A 8 -3.856 -6.906 3.219 1.00 33.11 C ATOM 119 C ALA A 8 -4.281 -6.307 1.908 1.00 31.13 C ATOM 120 O ALA A 8 -3.588 -5.456 1.357 1.00 72.22 O ATOM 121 CB ALA A 8 -4.318 -6.027 4.356 1.00 24.01 C ATOM 0 H ALA A 8 -1.900 -6.319 2.809 1.00 5.13 H new ATOM 0 HA ALA A 8 -4.317 -7.886 3.343 1.00 33.11 H new ATOM 0 HB1 ALA A 8 -5.401 -5.915 4.313 1.00 24.01 H new ATOM 0 HB2 ALA A 8 -4.038 -6.483 5.306 1.00 24.01 H new ATOM 0 HB3 ALA A 8 -3.849 -5.047 4.272 1.00 24.01 H new ATOM 127 N GLU A 9 -5.417 -6.755 1.429 1.00 55.42 N ATOM 128 CA GLU A 9 -5.983 -6.261 0.197 1.00 61.15 C ATOM 129 C GLU A 9 -7.276 -5.515 0.494 1.00 60.04 C ATOM 130 O GLU A 9 -7.961 -5.815 1.482 1.00 3.34 O ATOM 131 CB GLU A 9 -6.221 -7.418 -0.778 1.00 23.35 C ATOM 132 CG GLU A 9 -7.099 -8.531 -0.237 1.00 2.33 C ATOM 133 CD GLU A 9 -7.291 -9.661 -1.221 1.00 2.42 C ATOM 134 OE1 GLU A 9 -6.289 -10.230 -1.689 1.00 52.10 O ATOM 135 OE2 GLU A 9 -8.456 -9.988 -1.528 1.00 10.55 O ATOM 0 H GLU A 9 -5.977 -7.475 1.885 1.00 55.42 H new ATOM 0 HA GLU A 9 -5.285 -5.568 -0.273 1.00 61.15 H new ATOM 0 HB2 GLU A 9 -6.677 -7.023 -1.686 1.00 23.35 H new ATOM 0 HB3 GLU A 9 -5.257 -7.840 -1.063 1.00 23.35 H new ATOM 0 HG2 GLU A 9 -6.656 -8.924 0.678 1.00 2.33 H new ATOM 0 HG3 GLU A 9 -8.072 -8.121 0.031 1.00 2.33 H new ATOM 142 N ALA A 10 -7.563 -4.508 -0.330 1.00 44.13 N ATOM 143 CA ALA A 10 -8.753 -3.672 -0.187 1.00 34.42 C ATOM 144 C ALA A 10 -10.035 -4.499 -0.343 1.00 55.45 C ATOM 145 O ALA A 10 -10.041 -5.508 -1.057 1.00 45.30 O ATOM 146 CB ALA A 10 -8.708 -2.549 -1.209 1.00 53.34 C ATOM 0 H ALA A 10 -6.973 -4.248 -1.120 1.00 44.13 H new ATOM 0 HA ALA A 10 -8.762 -3.244 0.816 1.00 34.42 H new ATOM 0 HB1 ALA A 10 -9.595 -1.925 -1.103 1.00 53.34 H new ATOM 0 HB2 ALA A 10 -7.817 -1.943 -1.045 1.00 53.34 H new ATOM 0 HB3 ALA A 10 -8.680 -2.972 -2.213 1.00 53.34 H new ATOM 152 N ASP A 11 -11.101 -4.081 0.353 1.00 34.10 N ATOM 153 CA ASP A 11 -12.397 -4.787 0.322 1.00 24.31 C ATOM 154 C ASP A 11 -12.966 -4.771 -1.090 1.00 43.23 C ATOM 155 O ASP A 11 -13.261 -5.815 -1.676 1.00 2.30 O ATOM 156 CB ASP A 11 -13.412 -4.132 1.271 1.00 34.22 C ATOM 157 CG ASP A 11 -12.893 -3.934 2.683 1.00 24.35 C ATOM 158 OD1 ASP A 11 -12.925 -4.888 3.483 1.00 30.34 O ATOM 159 OD2 ASP A 11 -12.444 -2.810 2.991 1.00 75.22 O ATOM 0 H ASP A 11 -11.094 -3.253 0.949 1.00 34.10 H new ATOM 0 HA ASP A 11 -12.222 -5.813 0.646 1.00 24.31 H new ATOM 0 HB2 ASP A 11 -13.705 -3.165 0.863 1.00 34.22 H new ATOM 0 HB3 ASP A 11 -14.311 -4.748 1.307 1.00 34.22 H new ATOM 164 N ASP A 12 -13.064 -3.572 -1.636 1.00 62.42 N ATOM 165 CA ASP A 12 -13.489 -3.362 -3.004 1.00 35.51 C ATOM 166 C ASP A 12 -12.287 -2.990 -3.873 1.00 12.32 C ATOM 167 O ASP A 12 -11.138 -3.075 -3.437 1.00 31.34 O ATOM 168 CB ASP A 12 -14.569 -2.263 -3.061 1.00 44.22 C ATOM 169 CG ASP A 12 -14.127 -0.945 -2.440 1.00 25.45 C ATOM 170 OD1 ASP A 12 -14.145 -0.828 -1.200 1.00 70.11 O ATOM 171 OD2 ASP A 12 -13.762 -0.021 -3.186 1.00 62.43 O ATOM 0 H ASP A 12 -12.848 -2.710 -1.135 1.00 62.42 H new ATOM 0 HA ASP A 12 -13.921 -4.285 -3.391 1.00 35.51 H new ATOM 0 HB2 ASP A 12 -14.846 -2.091 -4.101 1.00 44.22 H new ATOM 0 HB3 ASP A 12 -15.463 -2.616 -2.547 1.00 44.22 H new ATOM 176 N PHE A 13 -12.561 -2.591 -5.104 1.00 74.21 N ATOM 177 CA PHE A 13 -11.525 -2.154 -6.021 1.00 1.35 C ATOM 178 C PHE A 13 -11.612 -0.642 -6.171 1.00 63.04 C ATOM 179 O PHE A 13 -12.694 -0.063 -6.033 1.00 14.42 O ATOM 180 CB PHE A 13 -11.680 -2.835 -7.392 1.00 2.51 C ATOM 181 CG PHE A 13 -11.457 -4.328 -7.391 1.00 13.31 C ATOM 182 CD1 PHE A 13 -12.466 -5.204 -7.010 1.00 65.34 C ATOM 183 CD2 PHE A 13 -10.240 -4.855 -7.785 1.00 2.34 C ATOM 184 CE1 PHE A 13 -12.259 -6.567 -7.019 1.00 54.03 C ATOM 185 CE2 PHE A 13 -10.028 -6.219 -7.798 1.00 41.22 C ATOM 186 CZ PHE A 13 -11.038 -7.076 -7.414 1.00 1.32 C ATOM 0 H PHE A 13 -13.503 -2.561 -5.493 1.00 74.21 H new ATOM 0 HA PHE A 13 -10.550 -2.433 -5.621 1.00 1.35 H new ATOM 0 HB2 PHE A 13 -12.682 -2.633 -7.770 1.00 2.51 H new ATOM 0 HB3 PHE A 13 -10.978 -2.378 -8.089 1.00 2.51 H new ATOM 0 HD1 PHE A 13 -13.424 -4.812 -6.703 1.00 65.34 H new ATOM 0 HD2 PHE A 13 -9.444 -4.190 -8.087 1.00 2.34 H new ATOM 0 HE1 PHE A 13 -13.051 -7.236 -6.717 1.00 54.03 H new ATOM 0 HE2 PHE A 13 -9.072 -6.615 -8.109 1.00 41.22 H new ATOM 0 HZ PHE A 13 -10.874 -8.143 -7.422 1.00 1.32 H new ATOM 196 N ASP A 14 -10.478 -0.008 -6.456 1.00 24.11 N ATOM 197 CA ASP A 14 -10.411 1.446 -6.632 1.00 12.45 C ATOM 198 C ASP A 14 -11.030 1.864 -7.983 1.00 31.31 C ATOM 199 O ASP A 14 -11.471 1.011 -8.755 1.00 53.44 O ATOM 200 CB ASP A 14 -8.950 1.914 -6.523 1.00 44.45 C ATOM 201 CG ASP A 14 -8.823 3.368 -6.096 1.00 22.34 C ATOM 202 OD1 ASP A 14 -8.960 3.648 -4.890 1.00 72.12 O ATOM 203 OD2 ASP A 14 -8.611 4.230 -6.973 1.00 63.12 O ATOM 0 H ASP A 14 -9.582 -0.482 -6.572 1.00 24.11 H new ATOM 0 HA ASP A 14 -10.991 1.926 -5.844 1.00 12.45 H new ATOM 0 HB2 ASP A 14 -8.425 1.283 -5.806 1.00 44.45 H new ATOM 0 HB3 ASP A 14 -8.458 1.780 -7.486 1.00 44.45 H new ATOM 208 N GLU A 15 -11.028 3.171 -8.272 1.00 13.44 N ATOM 209 CA GLU A 15 -11.723 3.746 -9.433 1.00 41.25 C ATOM 210 C GLU A 15 -11.070 3.367 -10.766 1.00 50.12 C ATOM 211 O GLU A 15 -11.728 3.392 -11.808 1.00 13.34 O ATOM 212 CB GLU A 15 -11.796 5.273 -9.302 1.00 0.22 C ATOM 213 CG GLU A 15 -12.601 5.747 -8.098 1.00 33.32 C ATOM 214 CD GLU A 15 -13.993 5.141 -8.047 1.00 14.41 C ATOM 215 OE1 GLU A 15 -14.842 5.516 -8.881 1.00 74.32 O ATOM 216 OE2 GLU A 15 -14.239 4.285 -7.178 1.00 35.05 O ATOM 0 H GLU A 15 -10.541 3.865 -7.704 1.00 13.44 H new ATOM 0 HA GLU A 15 -12.728 3.325 -9.439 1.00 41.25 H new ATOM 0 HB2 GLU A 15 -10.784 5.671 -9.231 1.00 0.22 H new ATOM 0 HB3 GLU A 15 -12.238 5.686 -10.209 1.00 0.22 H new ATOM 0 HG2 GLU A 15 -12.064 5.492 -7.184 1.00 33.32 H new ATOM 0 HG3 GLU A 15 -12.683 6.834 -8.126 1.00 33.32 H new ATOM 223 N SER A 16 -9.792 2.999 -10.724 1.00 12.23 N ATOM 224 CA SER A 16 -9.099 2.517 -11.909 1.00 42.44 C ATOM 225 C SER A 16 -9.024 0.978 -11.944 1.00 4.21 C ATOM 226 O SER A 16 -8.322 0.411 -12.784 1.00 65.11 O ATOM 227 CB SER A 16 -7.705 3.122 -11.972 1.00 14.20 C ATOM 228 OG SER A 16 -7.773 4.530 -12.105 1.00 43.03 O ATOM 0 H SER A 16 -9.218 3.026 -9.881 1.00 12.23 H new ATOM 0 HA SER A 16 -9.669 2.831 -12.784 1.00 42.44 H new ATOM 0 HB2 SER A 16 -7.151 2.864 -11.070 1.00 14.20 H new ATOM 0 HB3 SER A 16 -7.158 2.699 -12.814 1.00 14.20 H new ATOM 0 HG SER A 16 -7.487 4.952 -11.268 1.00 43.03 H new ATOM 234 N GLY A 17 -9.762 0.316 -11.040 1.00 4.34 N ATOM 235 CA GLY A 17 -9.917 -1.133 -11.076 1.00 32.51 C ATOM 236 C GLY A 17 -8.729 -1.887 -10.515 1.00 31.33 C ATOM 237 O GLY A 17 -8.195 -2.780 -11.178 1.00 64.20 O ATOM 0 H GLY A 17 -10.260 0.770 -10.275 1.00 4.34 H new ATOM 0 HA2 GLY A 17 -10.809 -1.408 -10.513 1.00 32.51 H new ATOM 0 HA3 GLY A 17 -10.081 -1.446 -12.107 1.00 32.51 H new ATOM 241 N TRP A 18 -8.296 -1.513 -9.311 1.00 32.21 N ATOM 242 CA TRP A 18 -7.160 -2.164 -8.656 1.00 42.34 C ATOM 243 C TRP A 18 -7.457 -2.403 -7.179 1.00 4.12 C ATOM 244 O TRP A 18 -7.935 -1.512 -6.485 1.00 21.52 O ATOM 245 CB TRP A 18 -5.871 -1.331 -8.809 1.00 34.31 C ATOM 246 CG TRP A 18 -5.285 -1.329 -10.200 1.00 60.42 C ATOM 247 CD1 TRP A 18 -5.543 -0.438 -11.203 1.00 12.20 C ATOM 248 CD2 TRP A 18 -4.338 -2.260 -10.737 1.00 55.52 C ATOM 249 NE1 TRP A 18 -4.825 -0.768 -12.325 1.00 60.13 N ATOM 250 CE2 TRP A 18 -4.073 -1.875 -12.062 1.00 33.34 C ATOM 251 CE3 TRP A 18 -3.683 -3.373 -10.228 1.00 64.24 C ATOM 252 CZ2 TRP A 18 -3.187 -2.571 -12.878 1.00 0.33 C ATOM 253 CZ3 TRP A 18 -2.806 -4.061 -11.037 1.00 74.41 C ATOM 254 CH2 TRP A 18 -2.563 -3.657 -12.344 1.00 1.34 C ATOM 0 H TRP A 18 -8.716 -0.759 -8.767 1.00 32.21 H new ATOM 0 HA TRP A 18 -7.003 -3.125 -9.145 1.00 42.34 H new ATOM 0 HB2 TRP A 18 -6.082 -0.302 -8.516 1.00 34.31 H new ATOM 0 HB3 TRP A 18 -5.123 -1.713 -8.114 1.00 34.31 H new ATOM 0 HD1 TRP A 18 -6.215 0.404 -11.124 1.00 12.20 H new ATOM 0 HE1 TRP A 18 -4.850 -0.266 -13.213 1.00 60.13 H new ATOM 0 HE3 TRP A 18 -3.859 -3.695 -9.212 1.00 64.24 H new ATOM 0 HZ2 TRP A 18 -3.001 -2.262 -13.896 1.00 0.33 H new ATOM 0 HZ3 TRP A 18 -2.298 -4.931 -10.648 1.00 74.41 H new ATOM 0 HH2 TRP A 18 -1.865 -4.216 -12.949 1.00 1.34 H new ATOM 265 N LYS A 19 -7.203 -3.623 -6.724 1.00 10.23 N ATOM 266 CA LYS A 19 -7.353 -3.980 -5.322 1.00 75.13 C ATOM 267 C LYS A 19 -6.035 -3.743 -4.616 1.00 64.01 C ATOM 268 O LYS A 19 -5.093 -4.516 -4.772 1.00 43.31 O ATOM 269 CB LYS A 19 -7.762 -5.444 -5.168 1.00 35.02 C ATOM 270 CG LYS A 19 -8.188 -5.810 -3.764 1.00 40.21 C ATOM 271 CD LYS A 19 -8.366 -7.306 -3.618 1.00 52.30 C ATOM 272 CE LYS A 19 -9.659 -7.808 -4.222 1.00 72.11 C ATOM 273 NZ LYS A 19 -9.754 -9.285 -4.125 1.00 21.30 N ATOM 0 H LYS A 19 -6.888 -4.391 -7.317 1.00 10.23 H new ATOM 0 HA LYS A 19 -8.136 -3.363 -4.882 1.00 75.13 H new ATOM 0 HB2 LYS A 19 -8.581 -5.658 -5.854 1.00 35.02 H new ATOM 0 HB3 LYS A 19 -6.926 -6.079 -5.462 1.00 35.02 H new ATOM 0 HG2 LYS A 19 -7.442 -5.459 -3.052 1.00 40.21 H new ATOM 0 HG3 LYS A 19 -9.123 -5.305 -3.521 1.00 40.21 H new ATOM 0 HD2 LYS A 19 -7.527 -7.814 -4.094 1.00 52.30 H new ATOM 0 HD3 LYS A 19 -8.339 -7.568 -2.560 1.00 52.30 H new ATOM 0 HE2 LYS A 19 -10.505 -7.351 -3.709 1.00 72.11 H new ATOM 0 HE3 LYS A 19 -9.718 -7.504 -5.267 1.00 72.11 H new ATOM 0 HZ1 LYS A 19 -10.754 -9.569 -4.119 1.00 21.30 H new ATOM 0 HZ2 LYS A 19 -9.276 -9.718 -4.941 1.00 21.30 H new ATOM 0 HZ3 LYS A 19 -9.298 -9.605 -3.247 1.00 21.30 H new ATOM 287 N ASP A 20 -5.993 -2.672 -3.850 1.00 1.31 N ATOM 288 CA ASP A 20 -4.763 -2.164 -3.256 1.00 31.01 C ATOM 289 C ASP A 20 -4.234 -3.113 -2.186 1.00 33.23 C ATOM 290 O ASP A 20 -4.956 -3.464 -1.252 1.00 41.52 O ATOM 291 CB ASP A 20 -5.060 -0.800 -2.621 1.00 35.11 C ATOM 292 CG ASP A 20 -5.771 0.161 -3.566 1.00 44.13 C ATOM 293 OD1 ASP A 20 -7.010 0.055 -3.705 1.00 24.53 O ATOM 294 OD2 ASP A 20 -5.101 1.026 -4.147 1.00 30.34 O ATOM 0 H ASP A 20 -6.819 -2.120 -3.617 1.00 1.31 H new ATOM 0 HA ASP A 20 -4.004 -2.074 -4.034 1.00 31.01 H new ATOM 0 HB2 ASP A 20 -5.674 -0.946 -1.732 1.00 35.11 H new ATOM 0 HB3 ASP A 20 -4.124 -0.349 -2.291 1.00 35.11 H new ATOM 299 N THR A 21 -2.971 -3.523 -2.309 1.00 72.35 N ATOM 300 CA THR A 21 -2.384 -4.431 -1.335 1.00 52.41 C ATOM 301 C THR A 21 -1.121 -3.820 -0.737 1.00 14.43 C ATOM 302 O THR A 21 -0.267 -3.285 -1.450 1.00 51.24 O ATOM 303 CB THR A 21 -2.049 -5.837 -1.929 1.00 2.42 C ATOM 304 OG1 THR A 21 -1.031 -5.754 -2.925 1.00 31.13 O ATOM 305 CG2 THR A 21 -3.269 -6.498 -2.547 1.00 25.32 C ATOM 0 H THR A 21 -2.345 -3.243 -3.064 1.00 72.35 H new ATOM 0 HA THR A 21 -3.137 -4.578 -0.561 1.00 52.41 H new ATOM 0 HB THR A 21 -1.698 -6.441 -1.092 1.00 2.42 H new ATOM 0 HG1 THR A 21 -0.843 -6.649 -3.276 1.00 31.13 H new ATOM 0 HG21 THR A 21 -2.991 -7.473 -2.948 1.00 25.32 H new ATOM 0 HG22 THR A 21 -4.039 -6.625 -1.786 1.00 25.32 H new ATOM 0 HG23 THR A 21 -3.654 -5.871 -3.352 1.00 25.32 H new ATOM 313 N VAL A 22 -1.009 -3.898 0.577 1.00 64.42 N ATOM 314 CA VAL A 22 0.171 -3.406 1.270 1.00 35.34 C ATOM 315 C VAL A 22 0.814 -4.561 2.024 1.00 71.34 C ATOM 316 O VAL A 22 0.236 -5.108 2.967 1.00 14.41 O ATOM 317 CB VAL A 22 -0.151 -2.213 2.221 1.00 53.41 C ATOM 318 CG1 VAL A 22 1.095 -1.739 2.951 1.00 31.04 C ATOM 319 CG2 VAL A 22 -0.748 -1.046 1.439 1.00 24.43 C ATOM 0 H VAL A 22 -1.722 -4.298 1.188 1.00 64.42 H new ATOM 0 HA VAL A 22 0.871 -3.016 0.531 1.00 35.34 H new ATOM 0 HB VAL A 22 -0.876 -2.568 2.954 1.00 53.41 H new ATOM 0 HG11 VAL A 22 0.838 -0.907 3.606 1.00 31.04 H new ATOM 0 HG12 VAL A 22 1.502 -2.557 3.546 1.00 31.04 H new ATOM 0 HG13 VAL A 22 1.840 -1.413 2.225 1.00 31.04 H new ATOM 0 HG21 VAL A 22 -0.965 -0.224 2.121 1.00 24.43 H new ATOM 0 HG22 VAL A 22 -0.036 -0.712 0.684 1.00 24.43 H new ATOM 0 HG23 VAL A 22 -1.669 -1.367 0.953 1.00 24.43 H new ATOM 329 N THR A 23 1.994 -4.940 1.563 1.00 60.13 N ATOM 330 CA THR A 23 2.711 -6.069 2.109 1.00 24.22 C ATOM 331 C THR A 23 3.749 -5.589 3.120 1.00 11.31 C ATOM 332 O THR A 23 4.740 -4.984 2.766 1.00 62.53 O ATOM 333 CB THR A 23 3.407 -6.858 0.980 1.00 65.13 C ATOM 334 OG1 THR A 23 2.540 -6.969 -0.161 1.00 2.41 O ATOM 335 CG2 THR A 23 3.783 -8.245 1.457 1.00 3.15 C ATOM 0 H THR A 23 2.479 -4.470 0.798 1.00 60.13 H new ATOM 0 HA THR A 23 1.999 -6.725 2.611 1.00 24.22 H new ATOM 0 HB THR A 23 4.310 -6.318 0.697 1.00 65.13 H new ATOM 0 HG1 THR A 23 2.995 -7.470 -0.870 1.00 2.41 H new ATOM 0 HG21 THR A 23 4.273 -8.788 0.648 1.00 3.15 H new ATOM 0 HG22 THR A 23 4.463 -8.166 2.305 1.00 3.15 H new ATOM 0 HG23 THR A 23 2.884 -8.781 1.761 1.00 3.15 H new ATOM 343 N ILE A 24 3.506 -5.875 4.376 1.00 74.02 N ATOM 344 CA ILE A 24 4.373 -5.447 5.461 1.00 13.11 C ATOM 345 C ILE A 24 5.353 -6.559 5.789 1.00 75.32 C ATOM 346 O ILE A 24 4.947 -7.638 6.215 1.00 22.13 O ATOM 347 CB ILE A 24 3.542 -5.103 6.729 1.00 51.43 C ATOM 348 CG1 ILE A 24 2.445 -4.075 6.403 1.00 74.21 C ATOM 349 CG2 ILE A 24 4.437 -4.598 7.857 1.00 32.54 C ATOM 350 CD1 ILE A 24 2.950 -2.685 6.051 1.00 51.42 C ATOM 0 H ILE A 24 2.697 -6.415 4.682 1.00 74.02 H new ATOM 0 HA ILE A 24 4.911 -4.554 5.145 1.00 13.11 H new ATOM 0 HB ILE A 24 3.061 -6.020 7.069 1.00 51.43 H new ATOM 0 HG12 ILE A 24 1.852 -4.451 5.570 1.00 74.21 H new ATOM 0 HG13 ILE A 24 1.776 -3.996 7.260 1.00 74.21 H new ATOM 0 HG21 ILE A 24 3.827 -4.366 8.730 1.00 32.54 H new ATOM 0 HG22 ILE A 24 5.164 -5.367 8.117 1.00 32.54 H new ATOM 0 HG23 ILE A 24 4.961 -3.699 7.531 1.00 32.54 H new ATOM 0 HD11 ILE A 24 2.103 -2.033 5.838 1.00 51.42 H new ATOM 0 HD12 ILE A 24 3.517 -2.281 6.890 1.00 51.42 H new ATOM 0 HD13 ILE A 24 3.593 -2.743 5.173 1.00 51.42 H new ATOM 362 N GLU A 25 6.634 -6.312 5.587 1.00 13.41 N ATOM 363 CA GLU A 25 7.630 -7.294 5.947 1.00 4.04 C ATOM 364 C GLU A 25 8.198 -6.990 7.326 1.00 55.14 C ATOM 365 O GLU A 25 8.862 -5.974 7.550 1.00 53.21 O ATOM 366 CB GLU A 25 8.747 -7.385 4.907 1.00 33.33 C ATOM 367 CG GLU A 25 9.834 -8.358 5.323 1.00 65.15 C ATOM 368 CD GLU A 25 10.886 -8.580 4.278 1.00 32.14 C ATOM 369 OE1 GLU A 25 10.623 -9.330 3.311 1.00 32.04 O ATOM 370 OE2 GLU A 25 11.991 -8.051 4.457 1.00 73.30 O ATOM 0 H GLU A 25 7.002 -5.452 5.181 1.00 13.41 H new ATOM 0 HA GLU A 25 7.139 -8.267 5.975 1.00 4.04 H new ATOM 0 HB2 GLU A 25 8.327 -7.698 3.951 1.00 33.33 H new ATOM 0 HB3 GLU A 25 9.183 -6.397 4.756 1.00 33.33 H new ATOM 0 HG2 GLU A 25 10.311 -7.988 6.231 1.00 65.15 H new ATOM 0 HG3 GLU A 25 9.375 -9.315 5.571 1.00 65.15 H new ATOM 377 N VAL A 26 7.901 -7.886 8.246 1.00 41.20 N ATOM 378 CA VAL A 26 8.371 -7.788 9.610 1.00 1.12 C ATOM 379 C VAL A 26 9.404 -8.889 9.857 1.00 71.24 C ATOM 380 O VAL A 26 9.228 -10.032 9.439 1.00 62.42 O ATOM 381 CB VAL A 26 7.186 -7.886 10.610 1.00 65.21 C ATOM 382 CG1 VAL A 26 7.638 -7.725 12.044 1.00 2.12 C ATOM 383 CG2 VAL A 26 6.129 -6.844 10.303 1.00 74.13 C ATOM 0 H VAL A 26 7.323 -8.707 8.065 1.00 41.20 H new ATOM 0 HA VAL A 26 8.842 -6.818 9.768 1.00 1.12 H new ATOM 0 HB VAL A 26 6.762 -8.883 10.491 1.00 65.21 H new ATOM 0 HG11 VAL A 26 6.777 -7.801 12.708 1.00 2.12 H new ATOM 0 HG12 VAL A 26 8.355 -8.508 12.290 1.00 2.12 H new ATOM 0 HG13 VAL A 26 8.109 -6.750 12.170 1.00 2.12 H new ATOM 0 HG21 VAL A 26 5.311 -6.934 11.017 1.00 74.13 H new ATOM 0 HG22 VAL A 26 6.567 -5.849 10.377 1.00 74.13 H new ATOM 0 HG23 VAL A 26 5.748 -6.999 9.294 1.00 74.13 H new ATOM 393 N LYS A 27 10.489 -8.522 10.505 1.00 54.02 N ATOM 394 CA LYS A 27 11.595 -9.421 10.750 1.00 43.54 C ATOM 395 C LYS A 27 12.208 -9.103 12.109 1.00 0.31 C ATOM 396 O LYS A 27 12.570 -7.951 12.379 1.00 35.34 O ATOM 397 CB LYS A 27 12.604 -9.277 9.610 1.00 44.03 C ATOM 398 CG LYS A 27 13.892 -10.056 9.769 1.00 73.33 C ATOM 399 CD LYS A 27 14.735 -9.930 8.517 1.00 12.20 C ATOM 400 CE LYS A 27 16.193 -10.257 8.781 1.00 43.12 C ATOM 401 NZ LYS A 27 16.860 -9.193 9.582 1.00 2.32 N ATOM 0 H LYS A 27 10.629 -7.584 10.879 1.00 54.02 H new ATOM 0 HA LYS A 27 11.261 -10.458 10.776 1.00 43.54 H new ATOM 0 HB2 LYS A 27 12.124 -9.590 8.683 1.00 44.03 H new ATOM 0 HB3 LYS A 27 12.851 -8.221 9.500 1.00 44.03 H new ATOM 0 HG2 LYS A 27 14.447 -9.683 10.630 1.00 73.33 H new ATOM 0 HG3 LYS A 27 13.670 -11.105 9.963 1.00 73.33 H new ATOM 0 HD2 LYS A 27 14.346 -10.599 7.749 1.00 12.20 H new ATOM 0 HD3 LYS A 27 14.655 -8.915 8.126 1.00 12.20 H new ATOM 0 HE2 LYS A 27 16.263 -11.208 9.309 1.00 43.12 H new ATOM 0 HE3 LYS A 27 16.716 -10.380 7.833 1.00 43.12 H new ATOM 0 HZ1 LYS A 27 17.892 -9.294 9.502 1.00 2.32 H new ATOM 0 HZ2 LYS A 27 16.574 -8.259 9.225 1.00 2.32 H new ATOM 0 HZ3 LYS A 27 16.580 -9.282 10.580 1.00 2.32 H new ATOM 415 N ASN A 28 12.288 -10.145 12.952 1.00 64.31 N ATOM 416 CA ASN A 28 12.732 -10.056 14.361 1.00 62.14 C ATOM 417 C ASN A 28 11.815 -9.146 15.201 1.00 21.45 C ATOM 418 O ASN A 28 12.273 -8.462 16.121 1.00 13.12 O ATOM 419 CB ASN A 28 14.201 -9.597 14.486 1.00 30.11 C ATOM 420 CG ASN A 28 15.201 -10.602 13.941 1.00 41.20 C ATOM 421 OD1 ASN A 28 15.549 -11.577 14.601 1.00 51.04 O ATOM 422 ND2 ASN A 28 15.709 -10.345 12.747 1.00 44.41 N ATOM 0 H ASN A 28 12.042 -11.094 12.672 1.00 64.31 H new ATOM 0 HA ASN A 28 12.663 -11.068 14.760 1.00 62.14 H new ATOM 0 HB2 ASN A 28 14.324 -8.652 13.957 1.00 30.11 H new ATOM 0 HB3 ASN A 28 14.425 -9.407 15.536 1.00 30.11 H new ATOM 0 HD21 ASN A 28 16.413 -10.966 12.348 1.00 44.41 H new ATOM 0 HD22 ASN A 28 15.397 -9.526 12.226 1.00 44.41 H new ATOM 429 N GLY A 29 10.512 -9.167 14.892 1.00 21.35 N ATOM 430 CA GLY A 29 9.543 -8.373 15.638 1.00 41.23 C ATOM 431 C GLY A 29 9.264 -6.988 15.060 1.00 1.35 C ATOM 432 O GLY A 29 8.190 -6.432 15.304 1.00 42.33 O ATOM 0 H GLY A 29 10.112 -9.722 14.136 1.00 21.35 H new ATOM 0 HA2 GLY A 29 8.605 -8.925 15.688 1.00 41.23 H new ATOM 0 HA3 GLY A 29 9.900 -8.258 16.661 1.00 41.23 H new ATOM 436 N LYS A 30 10.203 -6.428 14.296 1.00 53.11 N ATOM 437 CA LYS A 30 10.052 -5.064 13.779 1.00 62.51 C ATOM 438 C LYS A 30 9.985 -5.033 12.250 1.00 5.21 C ATOM 439 O LYS A 30 10.531 -5.905 11.585 1.00 72.21 O ATOM 440 CB LYS A 30 11.200 -4.178 14.275 1.00 75.22 C ATOM 441 CG LYS A 30 12.590 -4.657 13.871 1.00 74.21 C ATOM 442 CD LYS A 30 13.673 -3.691 14.319 1.00 34.12 C ATOM 443 CE LYS A 30 13.798 -3.639 15.834 1.00 24.32 C ATOM 444 NZ LYS A 30 14.838 -2.670 16.261 1.00 21.40 N ATOM 0 H LYS A 30 11.069 -6.892 14.022 1.00 53.11 H new ATOM 0 HA LYS A 30 9.106 -4.676 14.157 1.00 62.51 H new ATOM 0 HB2 LYS A 30 11.053 -3.168 13.894 1.00 75.22 H new ATOM 0 HB3 LYS A 30 11.152 -4.118 15.362 1.00 75.22 H new ATOM 0 HG2 LYS A 30 12.776 -5.639 14.306 1.00 74.21 H new ATOM 0 HG3 LYS A 30 12.633 -4.775 12.788 1.00 74.21 H new ATOM 0 HD2 LYS A 30 14.628 -3.990 13.886 1.00 34.12 H new ATOM 0 HD3 LYS A 30 13.450 -2.694 13.939 1.00 34.12 H new ATOM 0 HE2 LYS A 30 12.839 -3.360 16.270 1.00 24.32 H new ATOM 0 HE3 LYS A 30 14.045 -4.630 16.214 1.00 24.32 H new ATOM 0 HZ1 LYS A 30 14.897 -2.659 17.299 1.00 21.40 H new ATOM 0 HZ2 LYS A 30 15.758 -2.951 15.865 1.00 21.40 H new ATOM 0 HZ3 LYS A 30 14.589 -1.720 15.919 1.00 21.40 H new ATOM 458 N ILE A 31 9.310 -4.016 11.711 1.00 30.04 N ATOM 459 CA ILE A 31 9.173 -3.837 10.262 1.00 1.51 C ATOM 460 C ILE A 31 10.515 -3.420 9.652 1.00 15.32 C ATOM 461 O ILE A 31 11.032 -2.342 9.930 1.00 2.23 O ATOM 462 CB ILE A 31 8.095 -2.766 9.920 1.00 44.51 C ATOM 463 CG1 ILE A 31 6.754 -3.100 10.592 1.00 4.02 C ATOM 464 CG2 ILE A 31 7.909 -2.650 8.409 1.00 51.40 C ATOM 465 CD1 ILE A 31 5.704 -2.009 10.463 1.00 21.02 C ATOM 0 H ILE A 31 8.844 -3.295 12.263 1.00 30.04 H new ATOM 0 HA ILE A 31 8.857 -4.791 9.840 1.00 1.51 H new ATOM 0 HB ILE A 31 8.444 -1.808 10.305 1.00 44.51 H new ATOM 0 HG12 ILE A 31 6.362 -4.019 10.158 1.00 4.02 H new ATOM 0 HG13 ILE A 31 6.929 -3.297 11.650 1.00 4.02 H new ATOM 0 HG21 ILE A 31 7.152 -1.897 8.192 1.00 51.40 H new ATOM 0 HG22 ILE A 31 8.853 -2.359 7.948 1.00 51.40 H new ATOM 0 HG23 ILE A 31 7.590 -3.611 8.007 1.00 51.40 H new ATOM 0 HD11 ILE A 31 4.789 -2.324 10.964 1.00 21.02 H new ATOM 0 HD12 ILE A 31 6.073 -1.093 10.924 1.00 21.02 H new ATOM 0 HD13 ILE A 31 5.496 -1.827 9.409 1.00 21.02 H new ATOM 477 N VAL A 32 11.084 -4.281 8.829 1.00 73.55 N ATOM 478 CA VAL A 32 12.355 -3.967 8.197 1.00 73.23 C ATOM 479 C VAL A 32 12.152 -3.515 6.753 1.00 54.04 C ATOM 480 O VAL A 32 13.008 -2.837 6.179 1.00 1.12 O ATOM 481 CB VAL A 32 13.360 -5.150 8.262 1.00 24.11 C ATOM 482 CG1 VAL A 32 13.686 -5.490 9.710 1.00 60.31 C ATOM 483 CG2 VAL A 32 12.838 -6.383 7.531 1.00 14.14 C ATOM 0 H VAL A 32 10.694 -5.191 8.584 1.00 73.55 H new ATOM 0 HA VAL A 32 12.790 -3.144 8.764 1.00 73.23 H new ATOM 0 HB VAL A 32 14.272 -4.832 7.756 1.00 24.11 H new ATOM 0 HG11 VAL A 32 14.391 -6.321 9.739 1.00 60.31 H new ATOM 0 HG12 VAL A 32 14.129 -4.621 10.197 1.00 60.31 H new ATOM 0 HG13 VAL A 32 12.772 -5.772 10.232 1.00 60.31 H new ATOM 0 HG21 VAL A 32 13.572 -7.186 7.602 1.00 14.14 H new ATOM 0 HG22 VAL A 32 11.902 -6.706 7.986 1.00 14.14 H new ATOM 0 HG23 VAL A 32 12.667 -6.139 6.483 1.00 14.14 H new ATOM 493 N SER A 33 11.002 -3.869 6.181 1.00 13.12 N ATOM 494 CA SER A 33 10.711 -3.589 4.785 1.00 20.34 C ATOM 495 C SER A 33 9.213 -3.497 4.571 1.00 74.21 C ATOM 496 O SER A 33 8.429 -3.924 5.412 1.00 25.42 O ATOM 497 CB SER A 33 11.280 -4.680 3.861 1.00 2.24 C ATOM 498 OG SER A 33 12.694 -4.658 3.830 1.00 64.04 O ATOM 0 H SER A 33 10.253 -4.355 6.673 1.00 13.12 H new ATOM 0 HA SER A 33 11.184 -2.638 4.538 1.00 20.34 H new ATOM 0 HB2 SER A 33 10.939 -5.658 4.201 1.00 2.24 H new ATOM 0 HB3 SER A 33 10.892 -4.540 2.852 1.00 2.24 H new ATOM 0 HG SER A 33 13.011 -5.121 3.027 1.00 64.04 H new ATOM 504 N VAL A 34 8.828 -2.934 3.450 1.00 54.03 N ATOM 505 CA VAL A 34 7.440 -2.909 3.036 1.00 55.11 C ATOM 506 C VAL A 34 7.374 -2.897 1.507 1.00 44.33 C ATOM 507 O VAL A 34 8.058 -2.128 0.819 1.00 23.24 O ATOM 508 CB VAL A 34 6.623 -1.747 3.701 1.00 62.20 C ATOM 509 CG1 VAL A 34 7.279 -0.418 3.472 1.00 61.22 C ATOM 510 CG2 VAL A 34 5.175 -1.701 3.219 1.00 52.42 C ATOM 0 H VAL A 34 9.466 -2.479 2.797 1.00 54.03 H new ATOM 0 HA VAL A 34 6.952 -3.815 3.394 1.00 55.11 H new ATOM 0 HB VAL A 34 6.611 -1.957 4.770 1.00 62.20 H new ATOM 0 HG11 VAL A 34 6.688 0.366 3.945 1.00 61.22 H new ATOM 0 HG12 VAL A 34 8.280 -0.428 3.903 1.00 61.22 H new ATOM 0 HG13 VAL A 34 7.346 -0.225 2.401 1.00 61.22 H new ATOM 0 HG21 VAL A 34 4.654 -0.879 3.710 1.00 52.42 H new ATOM 0 HG22 VAL A 34 5.155 -1.550 2.140 1.00 52.42 H new ATOM 0 HG23 VAL A 34 4.680 -2.641 3.463 1.00 52.42 H new ATOM 520 N ASP A 35 6.582 -3.808 1.013 1.00 2.41 N ATOM 521 CA ASP A 35 6.402 -4.050 -0.395 1.00 61.13 C ATOM 522 C ASP A 35 5.038 -3.523 -0.809 1.00 71.21 C ATOM 523 O ASP A 35 4.074 -3.583 -0.044 1.00 71.32 O ATOM 524 CB ASP A 35 6.529 -5.553 -0.667 1.00 35.22 C ATOM 525 CG ASP A 35 6.442 -5.894 -2.131 1.00 23.34 C ATOM 526 OD1 ASP A 35 7.397 -5.580 -2.876 1.00 52.42 O ATOM 527 OD2 ASP A 35 5.418 -6.482 -2.546 1.00 44.10 O ATOM 0 H ASP A 35 6.023 -4.426 1.601 1.00 2.41 H new ATOM 0 HA ASP A 35 7.165 -3.535 -0.979 1.00 61.13 H new ATOM 0 HB2 ASP A 35 7.481 -5.909 -0.272 1.00 35.22 H new ATOM 0 HB3 ASP A 35 5.743 -6.082 -0.129 1.00 35.22 H new ATOM 532 N TRP A 36 4.970 -2.980 -2.001 1.00 12.41 N ATOM 533 CA TRP A 36 3.770 -2.327 -2.476 1.00 75.41 C ATOM 534 C TRP A 36 3.313 -2.925 -3.799 1.00 64.41 C ATOM 535 O TRP A 36 4.113 -3.106 -4.728 1.00 12.43 O ATOM 536 CB TRP A 36 3.982 -0.801 -2.579 1.00 52.01 C ATOM 537 CG TRP A 36 5.420 -0.345 -2.707 1.00 32.41 C ATOM 538 CD1 TRP A 36 6.242 -0.001 -1.680 1.00 54.02 C ATOM 539 CD2 TRP A 36 6.193 -0.160 -3.905 1.00 25.54 C ATOM 540 NE1 TRP A 36 7.469 0.366 -2.160 1.00 71.25 N ATOM 541 CE2 TRP A 36 7.463 0.283 -3.515 1.00 64.04 C ATOM 542 CE3 TRP A 36 5.941 -0.328 -5.261 1.00 10.52 C ATOM 543 CZ2 TRP A 36 8.472 0.558 -4.430 1.00 31.23 C ATOM 544 CZ3 TRP A 36 6.945 -0.053 -6.169 1.00 2.42 C ATOM 545 CH2 TRP A 36 8.194 0.388 -5.750 1.00 72.40 C ATOM 0 H TRP A 36 5.741 -2.977 -2.668 1.00 12.41 H new ATOM 0 HA TRP A 36 2.974 -2.499 -1.751 1.00 75.41 H new ATOM 0 HB2 TRP A 36 3.425 -0.433 -3.441 1.00 52.01 H new ATOM 0 HB3 TRP A 36 3.549 -0.332 -1.696 1.00 52.01 H new ATOM 0 HD1 TRP A 36 5.966 -0.015 -0.636 1.00 54.02 H new ATOM 0 HE1 TRP A 36 8.263 0.656 -1.590 1.00 71.25 H new ATOM 0 HE3 TRP A 36 4.974 -0.669 -5.600 1.00 10.52 H new ATOM 0 HZ2 TRP A 36 9.445 0.896 -4.104 1.00 31.23 H new ATOM 0 HZ3 TRP A 36 6.755 -0.183 -7.224 1.00 2.42 H new ATOM 0 HH2 TRP A 36 8.957 0.599 -6.485 1.00 72.40 H new ATOM 556 N ASN A 37 2.010 -3.204 -3.888 1.00 73.51 N ATOM 557 CA ASN A 37 1.433 -3.904 -5.034 1.00 54.11 C ATOM 558 C ASN A 37 -0.088 -3.640 -5.095 1.00 32.34 C ATOM 559 O ASN A 37 -0.619 -2.930 -4.244 1.00 3.52 O ATOM 560 CB ASN A 37 1.749 -5.409 -4.870 1.00 3.35 C ATOM 561 CG ASN A 37 1.607 -6.233 -6.132 1.00 52.12 C ATOM 562 OD1 ASN A 37 1.794 -5.737 -7.245 1.00 24.24 O ATOM 563 ND2 ASN A 37 1.269 -7.498 -5.962 1.00 54.14 N ATOM 0 H ASN A 37 1.330 -2.952 -3.171 1.00 73.51 H new ATOM 0 HA ASN A 37 1.858 -3.547 -5.972 1.00 54.11 H new ATOM 0 HB2 ASN A 37 2.769 -5.513 -4.499 1.00 3.35 H new ATOM 0 HB3 ASN A 37 1.089 -5.823 -4.108 1.00 3.35 H new ATOM 0 HD21 ASN A 37 1.152 -8.108 -6.771 1.00 54.14 H new ATOM 0 HD22 ASN A 37 1.124 -7.865 -5.021 1.00 54.14 H new ATOM 570 N ALA A 38 -0.769 -4.183 -6.114 1.00 15.02 N ATOM 571 CA ALA A 38 -2.238 -4.176 -6.219 1.00 73.41 C ATOM 572 C ALA A 38 -2.662 -5.208 -7.259 1.00 41.54 C ATOM 573 O ALA A 38 -1.869 -5.558 -8.122 1.00 70.15 O ATOM 574 CB ALA A 38 -2.787 -2.796 -6.592 1.00 13.31 C ATOM 0 H ALA A 38 -0.311 -4.646 -6.899 1.00 15.02 H new ATOM 0 HA ALA A 38 -2.651 -4.427 -5.242 1.00 73.41 H new ATOM 0 HB1 ALA A 38 -3.874 -2.842 -6.657 1.00 13.31 H new ATOM 0 HB2 ALA A 38 -2.500 -2.072 -5.830 1.00 13.31 H new ATOM 0 HB3 ALA A 38 -2.378 -2.490 -7.555 1.00 13.31 H new ATOM 580 N ILE A 39 -3.904 -5.684 -7.183 1.00 22.11 N ATOM 581 CA ILE A 39 -4.398 -6.742 -8.083 1.00 71.35 C ATOM 582 C ILE A 39 -5.371 -6.151 -9.114 1.00 43.51 C ATOM 583 O ILE A 39 -6.209 -5.327 -8.762 1.00 12.41 O ATOM 584 CB ILE A 39 -5.127 -7.868 -7.289 1.00 42.42 C ATOM 585 CG1 ILE A 39 -4.378 -8.203 -5.988 1.00 11.22 C ATOM 586 CG2 ILE A 39 -5.251 -9.122 -8.153 1.00 64.24 C ATOM 587 CD1 ILE A 39 -5.163 -9.078 -5.031 1.00 61.34 C ATOM 0 H ILE A 39 -4.594 -5.356 -6.507 1.00 22.11 H new ATOM 0 HA ILE A 39 -3.533 -7.171 -8.589 1.00 71.35 H new ATOM 0 HB ILE A 39 -6.122 -7.508 -7.028 1.00 42.42 H new ATOM 0 HG12 ILE A 39 -3.443 -8.704 -6.238 1.00 11.22 H new ATOM 0 HG13 ILE A 39 -4.116 -7.274 -5.482 1.00 11.22 H new ATOM 0 HG21 ILE A 39 -5.762 -9.903 -7.590 1.00 64.24 H new ATOM 0 HG22 ILE A 39 -5.823 -8.890 -9.051 1.00 64.24 H new ATOM 0 HG23 ILE A 39 -4.257 -9.469 -8.435 1.00 64.24 H new ATOM 0 HD11 ILE A 39 -4.566 -9.268 -4.139 1.00 61.34 H new ATOM 0 HD12 ILE A 39 -6.086 -8.571 -4.749 1.00 61.34 H new ATOM 0 HD13 ILE A 39 -5.402 -10.024 -5.516 1.00 61.34 H new ATOM 599 N ASN A 40 -5.263 -6.566 -10.381 1.00 33.41 N ATOM 600 CA ASN A 40 -6.112 -6.021 -11.456 1.00 24.23 C ATOM 601 C ASN A 40 -7.529 -6.606 -11.391 1.00 33.42 C ATOM 602 O ASN A 40 -7.711 -7.784 -11.082 1.00 34.52 O ATOM 603 CB ASN A 40 -5.464 -6.284 -12.827 1.00 5.24 C ATOM 604 CG ASN A 40 -6.175 -5.635 -13.995 1.00 12.41 C ATOM 605 OD1 ASN A 40 -6.990 -6.263 -14.655 1.00 1.13 O ATOM 606 ND2 ASN A 40 -5.881 -4.372 -14.246 1.00 23.14 N ATOM 0 H ASN A 40 -4.599 -7.276 -10.691 1.00 33.41 H new ATOM 0 HA ASN A 40 -6.198 -4.943 -11.317 1.00 24.23 H new ATOM 0 HB2 ASN A 40 -4.434 -5.927 -12.802 1.00 5.24 H new ATOM 0 HB3 ASN A 40 -5.425 -7.360 -12.995 1.00 5.24 H new ATOM 0 HD21 ASN A 40 -6.341 -3.885 -15.015 1.00 23.14 H new ATOM 0 HD22 ASN A 40 -5.194 -3.884 -13.671 1.00 23.14 H new ATOM 613 N LYS A 41 -8.524 -5.760 -11.640 1.00 44.04 N ATOM 614 CA LYS A 41 -9.927 -6.159 -11.567 1.00 75.50 C ATOM 615 C LYS A 41 -10.392 -6.903 -12.821 1.00 75.00 C ATOM 616 O LYS A 41 -11.139 -7.881 -12.719 1.00 50.54 O ATOM 617 CB LYS A 41 -10.811 -4.930 -11.348 1.00 51.23 C ATOM 618 CG LYS A 41 -12.255 -5.265 -11.036 1.00 35.21 C ATOM 619 CD LYS A 41 -13.103 -4.022 -10.910 1.00 62.20 C ATOM 620 CE LYS A 41 -14.537 -4.381 -10.560 1.00 75.15 C ATOM 621 NZ LYS A 41 -15.193 -5.174 -11.635 1.00 63.51 N ATOM 0 H LYS A 41 -8.382 -4.783 -11.897 1.00 44.04 H new ATOM 0 HA LYS A 41 -10.019 -6.844 -10.724 1.00 75.50 H new ATOM 0 HB2 LYS A 41 -10.400 -4.339 -10.530 1.00 51.23 H new ATOM 0 HB3 LYS A 41 -10.777 -4.306 -12.241 1.00 51.23 H new ATOM 0 HG2 LYS A 41 -12.659 -5.902 -11.823 1.00 35.21 H new ATOM 0 HG3 LYS A 41 -12.304 -5.834 -10.108 1.00 35.21 H new ATOM 0 HD2 LYS A 41 -12.689 -3.370 -10.141 1.00 62.20 H new ATOM 0 HD3 LYS A 41 -13.081 -3.465 -11.847 1.00 62.20 H new ATOM 0 HE2 LYS A 41 -14.551 -4.950 -9.630 1.00 75.15 H new ATOM 0 HE3 LYS A 41 -15.106 -3.468 -10.384 1.00 75.15 H new ATOM 0 HZ1 LYS A 41 -16.216 -5.224 -11.454 1.00 63.51 H new ATOM 0 HZ2 LYS A 41 -15.026 -4.718 -12.554 1.00 63.51 H new ATOM 0 HZ3 LYS A 41 -14.796 -6.135 -11.648 1.00 63.51 H new ATOM 635 N ASP A 42 -9.929 -6.443 -13.989 1.00 52.32 N ATOM 636 CA ASP A 42 -10.421 -6.930 -15.284 1.00 73.30 C ATOM 637 C ASP A 42 -10.020 -8.389 -15.529 1.00 1.13 C ATOM 638 O ASP A 42 -10.835 -9.190 -15.991 1.00 30.14 O ATOM 639 CB ASP A 42 -9.904 -6.030 -16.414 1.00 24.21 C ATOM 640 CG ASP A 42 -10.359 -6.480 -17.795 1.00 34.22 C ATOM 641 OD1 ASP A 42 -11.514 -6.193 -18.167 1.00 31.55 O ATOM 642 OD2 ASP A 42 -9.566 -7.129 -18.507 1.00 72.15 O ATOM 0 H ASP A 42 -9.207 -5.727 -14.064 1.00 52.32 H new ATOM 0 HA ASP A 42 -11.510 -6.891 -15.267 1.00 73.30 H new ATOM 0 HB2 ASP A 42 -10.245 -5.009 -16.241 1.00 24.21 H new ATOM 0 HB3 ASP A 42 -8.815 -6.012 -16.386 1.00 24.21 H new ATOM 647 N GLY A 43 -8.783 -8.725 -15.186 1.00 22.33 N ATOM 648 CA GLY A 43 -8.302 -10.075 -15.370 1.00 34.23 C ATOM 649 C GLY A 43 -6.891 -10.124 -15.902 1.00 3.53 C ATOM 650 O GLY A 43 -6.575 -10.968 -16.734 1.00 62.11 O ATOM 0 H GLY A 43 -8.103 -8.081 -14.782 1.00 22.33 H new ATOM 0 HA2 GLY A 43 -8.345 -10.604 -14.418 1.00 34.23 H new ATOM 0 HA3 GLY A 43 -8.964 -10.601 -16.058 1.00 34.23 H new ATOM 654 N GLY A 44 -6.050 -9.217 -15.423 1.00 72.33 N ATOM 655 CA GLY A 44 -4.654 -9.213 -15.805 1.00 42.31 C ATOM 656 C GLY A 44 -3.780 -9.790 -14.712 1.00 41.13 C ATOM 657 O GLY A 44 -4.111 -10.818 -14.116 1.00 72.44 O ATOM 0 H GLY A 44 -6.314 -8.478 -14.771 1.00 72.33 H new ATOM 0 HA2 GLY A 44 -4.524 -9.791 -16.720 1.00 42.31 H new ATOM 0 HA3 GLY A 44 -4.338 -8.193 -16.025 1.00 42.31 H new ATOM 661 N ASP A 45 -2.658 -9.139 -14.465 1.00 60.41 N ATOM 662 CA ASP A 45 -1.755 -9.534 -13.387 1.00 2.40 C ATOM 663 C ASP A 45 -1.795 -8.504 -12.259 1.00 72.22 C ATOM 664 O ASP A 45 -2.737 -7.724 -12.150 1.00 55.44 O ATOM 665 CB ASP A 45 -0.324 -9.673 -13.920 1.00 51.34 C ATOM 666 CG ASP A 45 -0.173 -10.746 -14.974 1.00 2.34 C ATOM 667 OD1 ASP A 45 -0.071 -11.933 -14.612 1.00 55.31 O ATOM 668 OD2 ASP A 45 -0.135 -10.401 -16.167 1.00 14.32 O ATOM 0 H ASP A 45 -2.344 -8.328 -14.998 1.00 60.41 H new ATOM 0 HA ASP A 45 -2.081 -10.497 -12.995 1.00 2.40 H new ATOM 0 HB2 ASP A 45 -0.006 -8.718 -14.338 1.00 51.34 H new ATOM 0 HB3 ASP A 45 0.345 -9.895 -13.088 1.00 51.34 H new ATOM 673 N ASP A 46 -0.766 -8.510 -11.424 1.00 2.53 N ATOM 674 CA ASP A 46 -0.614 -7.514 -10.365 1.00 45.15 C ATOM 675 C ASP A 46 0.102 -6.281 -10.904 1.00 3.32 C ATOM 676 O ASP A 46 0.453 -6.243 -12.077 1.00 1.51 O ATOM 677 CB ASP A 46 0.169 -8.098 -9.192 1.00 42.33 C ATOM 678 CG ASP A 46 -0.614 -9.139 -8.427 1.00 4.12 C ATOM 679 OD1 ASP A 46 -0.582 -10.316 -8.826 1.00 42.31 O ATOM 680 OD2 ASP A 46 -1.248 -8.790 -7.419 1.00 52.32 O ATOM 0 H ASP A 46 -0.015 -9.200 -11.458 1.00 2.53 H new ATOM 0 HA ASP A 46 -1.606 -7.226 -10.016 1.00 45.15 H new ATOM 0 HB2 ASP A 46 1.092 -8.544 -9.563 1.00 42.33 H new ATOM 0 HB3 ASP A 46 0.454 -7.293 -8.514 1.00 42.33 H new ATOM 685 N LYS A 47 0.288 -5.267 -10.050 1.00 72.12 N ATOM 686 CA LYS A 47 1.064 -4.062 -10.397 1.00 61.50 C ATOM 687 C LYS A 47 2.484 -4.429 -10.817 1.00 44.22 C ATOM 688 O LYS A 47 2.931 -4.025 -11.875 1.00 21.12 O ATOM 689 CB LYS A 47 1.149 -3.098 -9.212 1.00 40.22 C ATOM 690 CG LYS A 47 -0.109 -2.318 -8.892 1.00 74.20 C ATOM 691 CD LYS A 47 -0.438 -1.264 -9.932 1.00 41.23 C ATOM 692 CE LYS A 47 -1.549 -0.360 -9.417 1.00 33.35 C ATOM 693 NZ LYS A 47 -2.078 0.557 -10.456 1.00 43.24 N ATOM 0 H LYS A 47 -0.091 -5.255 -9.103 1.00 72.12 H new ATOM 0 HA LYS A 47 0.545 -3.580 -11.225 1.00 61.50 H new ATOM 0 HB2 LYS A 47 1.433 -3.667 -8.327 1.00 40.22 H new ATOM 0 HB3 LYS A 47 1.953 -2.387 -9.406 1.00 40.22 H new ATOM 0 HG2 LYS A 47 -0.947 -3.010 -8.808 1.00 74.20 H new ATOM 0 HG3 LYS A 47 0.006 -1.837 -7.920 1.00 74.20 H new ATOM 0 HD2 LYS A 47 0.450 -0.673 -10.157 1.00 41.23 H new ATOM 0 HD3 LYS A 47 -0.747 -1.742 -10.862 1.00 41.23 H new ATOM 0 HE2 LYS A 47 -2.363 -0.976 -9.035 1.00 33.35 H new ATOM 0 HE3 LYS A 47 -1.173 0.227 -8.579 1.00 33.35 H new ATOM 0 HZ1 LYS A 47 -2.795 1.182 -10.035 1.00 43.24 H new ATOM 0 HZ2 LYS A 47 -1.301 1.131 -10.840 1.00 43.24 H new ATOM 0 HZ3 LYS A 47 -2.510 0.002 -11.222 1.00 43.24 H new ATOM 707 N ASP A 48 3.143 -5.238 -9.985 1.00 61.22 N ATOM 708 CA ASP A 48 4.521 -5.676 -10.214 1.00 1.01 C ATOM 709 C ASP A 48 4.641 -6.551 -11.467 1.00 2.54 C ATOM 710 O ASP A 48 5.533 -6.356 -12.290 1.00 4.21 O ATOM 711 CB ASP A 48 5.013 -6.432 -8.968 1.00 51.34 C ATOM 712 CG ASP A 48 6.448 -6.910 -9.084 1.00 1.05 C ATOM 713 OD1 ASP A 48 7.354 -6.060 -9.166 1.00 73.40 O ATOM 714 OD2 ASP A 48 6.667 -8.132 -9.102 1.00 4.14 O ATOM 0 H ASP A 48 2.733 -5.610 -9.128 1.00 61.22 H new ATOM 0 HA ASP A 48 5.145 -4.799 -10.385 1.00 1.01 H new ATOM 0 HB2 ASP A 48 4.923 -5.782 -8.098 1.00 51.34 H new ATOM 0 HB3 ASP A 48 4.364 -7.290 -8.793 1.00 51.34 H new ATOM 719 N THR A 49 3.704 -7.475 -11.615 1.00 34.53 N ATOM 720 CA THR A 49 3.744 -8.466 -12.681 1.00 2.31 C ATOM 721 C THR A 49 3.389 -7.857 -14.054 1.00 1.14 C ATOM 722 O THR A 49 3.996 -8.215 -15.060 1.00 73.13 O ATOM 723 CB THR A 49 2.790 -9.619 -12.344 1.00 5.15 C ATOM 724 OG1 THR A 49 2.844 -9.881 -10.937 1.00 41.20 O ATOM 725 CG2 THR A 49 3.170 -10.886 -13.090 1.00 55.33 C ATOM 0 H THR A 49 2.895 -7.560 -11.000 1.00 34.53 H new ATOM 0 HA THR A 49 4.765 -8.842 -12.753 1.00 2.31 H new ATOM 0 HB THR A 49 1.784 -9.325 -12.644 1.00 5.15 H new ATOM 0 HG1 THR A 49 2.234 -10.616 -10.718 1.00 41.20 H new ATOM 0 HG21 THR A 49 2.475 -11.684 -12.829 1.00 55.33 H new ATOM 0 HG22 THR A 49 3.126 -10.703 -14.164 1.00 55.33 H new ATOM 0 HG23 THR A 49 4.182 -11.182 -12.813 1.00 55.33 H new ATOM 733 N LEU A 50 2.434 -6.916 -14.075 1.00 34.31 N ATOM 734 CA LEU A 50 2.057 -6.209 -15.308 1.00 50.32 C ATOM 735 C LEU A 50 3.144 -5.245 -15.774 1.00 42.13 C ATOM 736 O LEU A 50 3.293 -5.036 -16.973 1.00 52.54 O ATOM 737 CB LEU A 50 0.719 -5.469 -15.174 1.00 4.54 C ATOM 738 CG LEU A 50 -0.535 -6.327 -15.363 1.00 24.20 C ATOM 739 CD1 LEU A 50 -1.780 -5.465 -15.287 1.00 35.44 C ATOM 740 CD2 LEU A 50 -0.498 -7.065 -16.696 1.00 1.10 C ATOM 0 H LEU A 50 1.908 -6.626 -13.251 1.00 34.31 H new ATOM 0 HA LEU A 50 1.938 -6.983 -16.066 1.00 50.32 H new ATOM 0 HB2 LEU A 50 0.677 -5.008 -14.187 1.00 4.54 H new ATOM 0 HB3 LEU A 50 0.697 -4.660 -15.904 1.00 4.54 H new ATOM 0 HG LEU A 50 -0.560 -7.065 -14.561 1.00 24.20 H new ATOM 0 HD11 LEU A 50 -2.663 -6.089 -15.423 1.00 35.44 H new ATOM 0 HD12 LEU A 50 -1.826 -4.978 -14.313 1.00 35.44 H new ATOM 0 HD13 LEU A 50 -1.747 -4.708 -16.070 1.00 35.44 H new ATOM 0 HD21 LEU A 50 -1.401 -7.667 -16.804 1.00 1.10 H new ATOM 0 HD22 LEU A 50 -0.444 -6.343 -17.510 1.00 1.10 H new ATOM 0 HD23 LEU A 50 0.377 -7.714 -16.728 1.00 1.10 H new ATOM 752 N SER A 51 3.880 -4.646 -14.826 1.00 70.24 N ATOM 753 CA SER A 51 5.045 -3.817 -15.154 1.00 32.53 C ATOM 754 C SER A 51 6.157 -4.645 -15.812 1.00 40.41 C ATOM 755 O SER A 51 6.793 -4.176 -16.754 1.00 64.23 O ATOM 756 CB SER A 51 5.590 -3.128 -13.904 1.00 64.20 C ATOM 757 OG SER A 51 4.631 -2.254 -13.353 1.00 4.21 O ATOM 0 H SER A 51 3.688 -4.721 -13.827 1.00 70.24 H new ATOM 0 HA SER A 51 4.712 -3.060 -15.864 1.00 32.53 H new ATOM 0 HB2 SER A 51 5.872 -3.877 -13.165 1.00 64.20 H new ATOM 0 HB3 SER A 51 6.493 -2.572 -14.155 1.00 64.20 H new ATOM 0 HG SER A 51 3.979 -2.769 -12.833 1.00 4.21 H new ATOM 763 N ARG A 52 6.343 -5.889 -15.338 1.00 22.20 N ATOM 764 CA ARG A 52 7.368 -6.791 -15.872 1.00 34.22 C ATOM 765 C ARG A 52 6.990 -7.287 -17.278 1.00 61.12 C ATOM 766 O ARG A 52 7.855 -7.438 -18.138 1.00 43.13 O ATOM 767 CB ARG A 52 7.567 -7.988 -14.928 1.00 21.53 C ATOM 768 CG ARG A 52 8.778 -8.859 -15.263 1.00 54.41 C ATOM 769 CD ARG A 52 8.785 -10.136 -14.442 1.00 40.20 C ATOM 770 NE ARG A 52 9.944 -10.991 -14.725 1.00 12.40 N ATOM 771 CZ ARG A 52 9.867 -12.289 -15.065 1.00 70.22 C ATOM 772 NH1 ARG A 52 8.685 -12.875 -15.261 1.00 13.34 N ATOM 773 NH2 ARG A 52 10.983 -12.996 -15.209 1.00 65.44 N ATOM 0 H ARG A 52 5.791 -6.291 -14.581 1.00 22.20 H new ATOM 0 HA ARG A 52 8.302 -6.234 -15.945 1.00 34.22 H new ATOM 0 HB2 ARG A 52 7.671 -7.618 -13.908 1.00 21.53 H new ATOM 0 HB3 ARG A 52 6.671 -8.608 -14.952 1.00 21.53 H new ATOM 0 HG2 ARG A 52 8.767 -9.107 -16.324 1.00 54.41 H new ATOM 0 HG3 ARG A 52 9.694 -8.299 -15.076 1.00 54.41 H new ATOM 0 HD2 ARG A 52 8.778 -9.881 -13.382 1.00 40.20 H new ATOM 0 HD3 ARG A 52 7.871 -10.695 -14.641 1.00 40.20 H new ATOM 0 HE ARG A 52 10.871 -10.571 -14.659 1.00 12.40 H new ATOM 0 HH11 ARG A 52 7.825 -12.337 -15.153 1.00 13.34 H new ATOM 0 HH12 ARG A 52 8.641 -13.861 -15.519 1.00 13.34 H new ATOM 0 HH21 ARG A 52 11.890 -12.553 -15.062 1.00 65.44 H new ATOM 0 HH22 ARG A 52 10.933 -13.982 -15.467 1.00 65.44 H new ATOM 787 N ASN A 53 5.693 -7.513 -17.508 1.00 54.30 N ATOM 788 CA ASN A 53 5.200 -7.975 -18.813 1.00 13.42 C ATOM 789 C ASN A 53 5.094 -6.828 -19.820 1.00 43.32 C ATOM 790 O ASN A 53 5.137 -7.054 -21.031 1.00 51.15 O ATOM 791 CB ASN A 53 3.829 -8.656 -18.666 1.00 2.03 C ATOM 792 CG ASN A 53 3.895 -9.978 -17.922 1.00 41.13 C ATOM 793 OD1 ASN A 53 4.914 -10.668 -17.941 1.00 43.42 O ATOM 794 ND2 ASN A 53 2.809 -10.342 -17.261 1.00 32.03 N ATOM 0 H ASN A 53 4.963 -7.384 -16.807 1.00 54.30 H new ATOM 0 HA ASN A 53 5.925 -8.696 -19.191 1.00 13.42 H new ATOM 0 HB2 ASN A 53 3.151 -7.984 -18.140 1.00 2.03 H new ATOM 0 HB3 ASN A 53 3.406 -8.824 -19.656 1.00 2.03 H new ATOM 0 HD21 ASN A 53 2.797 -11.221 -16.744 1.00 32.03 H new ATOM 0 HD22 ASN A 53 1.983 -9.744 -17.268 1.00 32.03 H new ATOM 801 N GLY A 54 4.941 -5.606 -19.309 1.00 23.25 N ATOM 802 CA GLY A 54 4.798 -4.430 -20.152 1.00 20.21 C ATOM 803 C GLY A 54 3.350 -4.125 -20.498 1.00 0.42 C ATOM 804 O GLY A 54 3.073 -3.154 -21.202 1.00 70.12 O ATOM 0 H GLY A 54 4.913 -5.410 -18.308 1.00 23.25 H new ATOM 0 HA2 GLY A 54 5.234 -3.570 -19.644 1.00 20.21 H new ATOM 0 HA3 GLY A 54 5.363 -4.578 -21.072 1.00 20.21 H new ATOM 808 N GLY A 55 2.425 -4.942 -19.984 1.00 11.24 N ATOM 809 CA GLY A 55 1.019 -4.782 -20.294 1.00 50.33 C ATOM 810 C GLY A 55 0.230 -4.215 -19.137 1.00 21.42 C ATOM 811 O GLY A 55 -0.915 -4.612 -18.918 1.00 32.21 O ATOM 0 H GLY A 55 2.634 -5.716 -19.354 1.00 11.24 H new ATOM 0 HA2 GLY A 55 0.914 -4.125 -21.157 1.00 50.33 H new ATOM 0 HA3 GLY A 55 0.601 -5.748 -20.576 1.00 50.33 H new ATOM 815 N TYR A 56 0.859 -3.300 -18.392 1.00 53.13 N ATOM 816 CA TYR A 56 0.207 -2.598 -17.295 1.00 24.45 C ATOM 817 C TYR A 56 -0.941 -1.727 -17.824 1.00 21.33 C ATOM 818 O TYR A 56 -0.735 -0.789 -18.600 1.00 15.31 O ATOM 819 CB TYR A 56 1.255 -1.784 -16.491 1.00 2.22 C ATOM 820 CG TYR A 56 0.686 -0.618 -15.705 1.00 61.41 C ATOM 821 CD1 TYR A 56 -0.085 -0.809 -14.560 1.00 73.51 C ATOM 822 CD2 TYR A 56 0.883 0.681 -16.153 1.00 32.30 C ATOM 823 CE1 TYR A 56 -0.634 0.267 -13.893 1.00 62.11 C ATOM 824 CE2 TYR A 56 0.330 1.750 -15.500 1.00 63.34 C ATOM 825 CZ TYR A 56 -0.424 1.544 -14.374 1.00 35.22 C ATOM 826 OH TYR A 56 -0.987 2.624 -13.742 1.00 31.45 O ATOM 0 H TYR A 56 1.832 -3.030 -18.536 1.00 53.13 H new ATOM 0 HA TYR A 56 -0.237 -3.320 -16.609 1.00 24.45 H new ATOM 0 HB2 TYR A 56 1.764 -2.456 -15.800 1.00 2.22 H new ATOM 0 HB3 TYR A 56 2.009 -1.406 -17.182 1.00 2.22 H new ATOM 0 HD1 TYR A 56 -0.255 -1.810 -14.191 1.00 73.51 H new ATOM 0 HD2 TYR A 56 1.484 0.852 -17.034 1.00 32.30 H new ATOM 0 HE1 TYR A 56 -1.223 0.111 -13.002 1.00 62.11 H new ATOM 0 HE2 TYR A 56 0.487 2.752 -15.871 1.00 63.34 H new ATOM 0 HH TYR A 56 -0.657 2.672 -12.821 1.00 31.45 H new ATOM 836 N LYS A 57 -2.149 -2.107 -17.448 1.00 3.23 N ATOM 837 CA LYS A 57 -3.335 -1.388 -17.854 1.00 44.42 C ATOM 838 C LYS A 57 -4.263 -1.173 -16.666 1.00 23.31 C ATOM 839 O LYS A 57 -4.454 -2.070 -15.845 1.00 14.10 O ATOM 840 CB LYS A 57 -4.045 -2.191 -18.951 1.00 44.33 C ATOM 841 CG LYS A 57 -5.213 -1.474 -19.613 1.00 4.54 C ATOM 842 CD LYS A 57 -5.858 -2.327 -20.694 1.00 52.03 C ATOM 843 CE LYS A 57 -4.936 -2.547 -21.896 1.00 53.11 C ATOM 844 NZ LYS A 57 -4.644 -1.281 -22.621 1.00 15.13 N ATOM 0 H LYS A 57 -2.331 -2.918 -16.856 1.00 3.23 H new ATOM 0 HA LYS A 57 -3.055 -0.408 -18.239 1.00 44.42 H new ATOM 0 HB2 LYS A 57 -3.317 -2.454 -19.718 1.00 44.33 H new ATOM 0 HB3 LYS A 57 -4.407 -3.125 -18.521 1.00 44.33 H new ATOM 0 HG2 LYS A 57 -5.957 -1.218 -18.859 1.00 4.54 H new ATOM 0 HG3 LYS A 57 -4.865 -0.537 -20.048 1.00 4.54 H new ATOM 0 HD2 LYS A 57 -6.136 -3.293 -20.272 1.00 52.03 H new ATOM 0 HD3 LYS A 57 -6.778 -1.848 -21.029 1.00 52.03 H new ATOM 0 HE2 LYS A 57 -4.001 -2.993 -21.557 1.00 53.11 H new ATOM 0 HE3 LYS A 57 -5.399 -3.257 -22.581 1.00 53.11 H new ATOM 0 HZ1 LYS A 57 -5.063 -1.321 -23.572 1.00 15.13 H new ATOM 0 HZ2 LYS A 57 -5.050 -0.479 -22.097 1.00 15.13 H new ATOM 0 HZ3 LYS A 57 -3.615 -1.156 -22.701 1.00 15.13 H new ATOM 858 N MET A 58 -4.804 0.034 -16.566 1.00 50.32 N ATOM 859 CA MET A 58 -5.893 0.311 -15.639 1.00 4.44 C ATOM 860 C MET A 58 -7.201 0.233 -16.419 1.00 23.25 C ATOM 861 O MET A 58 -7.193 0.437 -17.640 1.00 44.11 O ATOM 862 CB MET A 58 -5.739 1.696 -14.978 1.00 21.45 C ATOM 863 CG MET A 58 -4.377 1.924 -14.331 1.00 3.12 C ATOM 864 SD MET A 58 -4.339 3.297 -13.157 1.00 50.31 S ATOM 865 CE MET A 58 -4.807 4.682 -14.192 1.00 3.54 C ATOM 0 H MET A 58 -4.505 0.839 -17.117 1.00 50.32 H new ATOM 0 HA MET A 58 -5.881 -0.424 -14.834 1.00 4.44 H new ATOM 0 HB2 MET A 58 -5.907 2.467 -15.730 1.00 21.45 H new ATOM 0 HB3 MET A 58 -6.514 1.815 -14.221 1.00 21.45 H new ATOM 0 HG2 MET A 58 -4.074 1.012 -13.817 1.00 3.12 H new ATOM 0 HG3 MET A 58 -3.641 2.109 -15.114 1.00 3.12 H new ATOM 0 HE1 MET A 58 -4.297 5.582 -13.848 1.00 3.54 H new ATOM 0 HE2 MET A 58 -4.524 4.477 -15.224 1.00 3.54 H new ATOM 0 HE3 MET A 58 -5.885 4.831 -14.135 1.00 3.54 H new ATOM 875 N VAL A 59 -8.319 -0.062 -15.737 1.00 70.44 N ATOM 876 CA VAL A 59 -9.613 -0.210 -16.426 1.00 13.51 C ATOM 877 C VAL A 59 -10.095 1.151 -16.954 1.00 22.45 C ATOM 878 O VAL A 59 -10.746 1.230 -17.996 1.00 1.32 O ATOM 879 CB VAL A 59 -10.721 -0.899 -15.551 1.00 71.40 C ATOM 880 CG1 VAL A 59 -10.201 -2.184 -14.914 1.00 15.23 C ATOM 881 CG2 VAL A 59 -11.313 0.016 -14.480 1.00 71.22 C ATOM 0 H VAL A 59 -8.356 -0.201 -14.727 1.00 70.44 H new ATOM 0 HA VAL A 59 -9.440 -0.884 -17.265 1.00 13.51 H new ATOM 0 HB VAL A 59 -11.530 -1.139 -16.241 1.00 71.40 H new ATOM 0 HG11 VAL A 59 -10.990 -2.638 -14.315 1.00 15.23 H new ATOM 0 HG12 VAL A 59 -9.893 -2.879 -15.695 1.00 15.23 H new ATOM 0 HG13 VAL A 59 -9.347 -1.954 -14.276 1.00 15.23 H new ATOM 0 HG21 VAL A 59 -12.071 -0.527 -13.916 1.00 71.22 H new ATOM 0 HG22 VAL A 59 -10.523 0.344 -13.804 1.00 71.22 H new ATOM 0 HG23 VAL A 59 -11.768 0.885 -14.955 1.00 71.22 H new ATOM 891 N GLU A 60 -9.734 2.213 -16.231 1.00 11.15 N ATOM 892 CA GLU A 60 -9.950 3.578 -16.664 1.00 44.44 C ATOM 893 C GLU A 60 -8.702 4.387 -16.374 1.00 35.13 C ATOM 894 O GLU A 60 -8.115 4.264 -15.298 1.00 10.35 O ATOM 895 CB GLU A 60 -11.149 4.213 -15.959 1.00 42.43 C ATOM 896 CG GLU A 60 -12.496 3.728 -16.472 1.00 12.13 C ATOM 897 CD GLU A 60 -13.656 4.423 -15.808 1.00 74.44 C ATOM 898 OE1 GLU A 60 -13.938 5.584 -16.158 1.00 50.42 O ATOM 899 OE2 GLU A 60 -14.301 3.813 -14.939 1.00 5.43 O ATOM 0 H GLU A 60 -9.280 2.139 -15.321 1.00 11.15 H new ATOM 0 HA GLU A 60 -10.162 3.571 -17.733 1.00 44.44 H new ATOM 0 HB2 GLU A 60 -11.082 4.005 -14.891 1.00 42.43 H new ATOM 0 HB3 GLU A 60 -11.095 5.295 -16.076 1.00 42.43 H new ATOM 0 HG2 GLU A 60 -12.549 3.889 -17.549 1.00 12.13 H new ATOM 0 HG3 GLU A 60 -12.578 2.654 -16.306 1.00 12.13 H new ATOM 906 N TYR A 61 -8.299 5.202 -17.333 1.00 64.41 N ATOM 907 CA TYR A 61 -7.108 6.025 -17.187 1.00 43.31 C ATOM 908 C TYR A 61 -7.450 7.377 -16.561 1.00 35.15 C ATOM 909 O TYR A 61 -6.573 8.078 -16.052 1.00 45.13 O ATOM 910 CB TYR A 61 -6.433 6.229 -18.545 1.00 72.11 C ATOM 911 CG TYR A 61 -6.012 4.952 -19.255 1.00 62.42 C ATOM 912 CD1 TYR A 61 -5.405 3.900 -18.572 1.00 24.21 C ATOM 913 CD2 TYR A 61 -6.208 4.812 -20.622 1.00 44.21 C ATOM 914 CE1 TYR A 61 -5.008 2.753 -19.234 1.00 44.31 C ATOM 915 CE2 TYR A 61 -5.818 3.668 -21.289 1.00 10.02 C ATOM 916 CZ TYR A 61 -5.218 2.641 -20.592 1.00 24.32 C ATOM 917 OH TYR A 61 -4.821 1.508 -21.260 1.00 10.25 O ATOM 0 H TYR A 61 -8.780 5.313 -18.225 1.00 64.41 H new ATOM 0 HA TYR A 61 -6.417 5.506 -16.523 1.00 43.31 H new ATOM 0 HB2 TYR A 61 -7.115 6.779 -19.193 1.00 72.11 H new ATOM 0 HB3 TYR A 61 -5.552 6.856 -18.405 1.00 72.11 H new ATOM 0 HD1 TYR A 61 -5.242 3.982 -17.508 1.00 24.21 H new ATOM 0 HD2 TYR A 61 -6.675 5.614 -21.175 1.00 44.21 H new ATOM 0 HE1 TYR A 61 -4.536 1.949 -18.690 1.00 44.31 H new ATOM 0 HE2 TYR A 61 -5.982 3.578 -22.353 1.00 10.02 H new ATOM 0 HH TYR A 61 -5.045 1.593 -22.210 1.00 10.25 H new ATOM 927 N GLY A 62 -8.736 7.721 -16.590 1.00 3.12 N ATOM 928 CA GLY A 62 -9.206 8.951 -15.984 1.00 11.20 C ATOM 929 C GLY A 62 -9.821 8.731 -14.610 1.00 34.25 C ATOM 930 O GLY A 62 -10.644 9.535 -14.162 1.00 14.30 O ATOM 0 H GLY A 62 -9.467 7.160 -17.029 1.00 3.12 H new ATOM 0 HA2 GLY A 62 -8.374 9.650 -15.897 1.00 11.20 H new ATOM 0 HA3 GLY A 62 -9.945 9.414 -16.638 1.00 11.20 H new ATOM 934 N GLY A 63 -9.422 7.638 -13.945 1.00 24.24 N ATOM 935 CA GLY A 63 -9.868 7.370 -12.588 1.00 15.13 C ATOM 936 C GLY A 63 -8.858 7.845 -11.568 1.00 20.15 C ATOM 937 O GLY A 63 -7.916 8.557 -11.919 1.00 14.53 O ATOM 0 H GLY A 63 -8.794 6.933 -14.330 1.00 24.24 H new ATOM 0 HA2 GLY A 63 -10.823 7.865 -12.413 1.00 15.13 H new ATOM 0 HA3 GLY A 63 -10.036 6.300 -12.464 1.00 15.13 H new ATOM 941 N ALA A 64 -9.041 7.458 -10.309 1.00 14.04 N ATOM 942 CA ALA A 64 -8.057 7.759 -9.274 1.00 10.53 C ATOM 943 C ALA A 64 -6.843 6.878 -9.458 1.00 62.11 C ATOM 944 O ALA A 64 -6.963 5.659 -9.600 1.00 32.32 O ATOM 945 CB ALA A 64 -8.639 7.586 -7.881 1.00 11.53 C ATOM 0 H ALA A 64 -9.856 6.939 -9.982 1.00 14.04 H new ATOM 0 HA ALA A 64 -7.763 8.804 -9.373 1.00 10.53 H new ATOM 0 HB1 ALA A 64 -7.877 7.819 -7.137 1.00 11.53 H new ATOM 0 HB2 ALA A 64 -9.487 8.259 -7.755 1.00 11.53 H new ATOM 0 HB3 ALA A 64 -8.971 6.556 -7.751 1.00 11.53 H new ATOM 951 N GLN A 65 -5.684 7.518 -9.490 1.00 25.41 N ATOM 952 CA GLN A 65 -4.419 6.848 -9.778 1.00 21.23 C ATOM 953 C GLN A 65 -3.866 6.142 -8.542 1.00 55.02 C ATOM 954 O GLN A 65 -2.911 6.615 -7.918 1.00 44.31 O ATOM 955 CB GLN A 65 -3.361 7.828 -10.360 1.00 22.30 C ATOM 956 CG GLN A 65 -3.753 9.321 -10.411 1.00 53.30 C ATOM 957 CD GLN A 65 -3.791 10.047 -9.064 1.00 52.00 C ATOM 958 OE1 GLN A 65 -4.558 10.980 -8.880 1.00 11.30 O ATOM 959 NE2 GLN A 65 -3.007 9.595 -8.107 1.00 64.51 N ATOM 0 H GLN A 65 -5.591 8.519 -9.317 1.00 25.41 H new ATOM 0 HA GLN A 65 -4.631 6.095 -10.538 1.00 21.23 H new ATOM 0 HB2 GLN A 65 -2.450 7.735 -9.769 1.00 22.30 H new ATOM 0 HB3 GLN A 65 -3.118 7.505 -11.372 1.00 22.30 H new ATOM 0 HG2 GLN A 65 -3.049 9.840 -11.062 1.00 53.30 H new ATOM 0 HG3 GLN A 65 -4.736 9.403 -10.874 1.00 53.30 H new ATOM 0 HE21 GLN A 65 -2.377 8.814 -8.290 1.00 64.51 H new ATOM 0 HE22 GLN A 65 -3.030 10.026 -7.183 1.00 64.51 H new ATOM 968 N ALA A 66 -4.497 5.016 -8.197 1.00 55.11 N ATOM 969 CA ALA A 66 -4.087 4.180 -7.081 1.00 65.22 C ATOM 970 C ALA A 66 -2.805 3.456 -7.429 1.00 73.03 C ATOM 971 O ALA A 66 -2.818 2.389 -8.055 1.00 42.31 O ATOM 972 CB ALA A 66 -5.172 3.181 -6.736 1.00 73.23 C ATOM 0 H ALA A 66 -5.314 4.662 -8.694 1.00 55.11 H new ATOM 0 HA ALA A 66 -3.917 4.815 -6.212 1.00 65.22 H new ATOM 0 HB1 ALA A 66 -4.846 2.565 -5.898 1.00 73.23 H new ATOM 0 HB2 ALA A 66 -6.083 3.713 -6.462 1.00 73.23 H new ATOM 0 HB3 ALA A 66 -5.369 2.545 -7.599 1.00 73.23 H new ATOM 978 N GLU A 67 -1.695 4.077 -7.084 1.00 12.02 N ATOM 979 CA GLU A 67 -0.422 3.595 -7.508 1.00 3.43 C ATOM 980 C GLU A 67 0.473 3.224 -6.368 1.00 34.43 C ATOM 981 O GLU A 67 1.242 4.042 -5.844 1.00 11.43 O ATOM 982 CB GLU A 67 0.253 4.590 -8.437 1.00 52.24 C ATOM 983 CG GLU A 67 -0.015 4.269 -9.890 1.00 44.04 C ATOM 984 CD GLU A 67 0.509 2.891 -10.281 1.00 24.53 C ATOM 985 OE1 GLU A 67 1.422 2.361 -9.622 1.00 51.03 O ATOM 986 OE2 GLU A 67 -0.001 2.320 -11.234 1.00 55.43 O ATOM 0 H GLU A 67 -1.662 4.919 -6.509 1.00 12.02 H new ATOM 0 HA GLU A 67 -0.607 2.674 -8.062 1.00 3.43 H new ATOM 0 HB2 GLU A 67 -0.104 5.596 -8.215 1.00 52.24 H new ATOM 0 HB3 GLU A 67 1.328 4.586 -8.256 1.00 52.24 H new ATOM 0 HG2 GLU A 67 -1.088 4.315 -10.079 1.00 44.04 H new ATOM 0 HG3 GLU A 67 0.452 5.026 -10.520 1.00 44.04 H new ATOM 993 N TRP A 68 0.370 1.960 -6.005 1.00 13.44 N ATOM 994 CA TRP A 68 1.302 1.360 -5.088 1.00 42.13 C ATOM 995 C TRP A 68 2.316 0.553 -5.891 1.00 70.34 C ATOM 996 O TRP A 68 2.702 -0.534 -5.518 1.00 24.02 O ATOM 997 CB TRP A 68 0.582 0.500 -4.033 1.00 21.01 C ATOM 998 CG TRP A 68 -0.559 1.201 -3.341 1.00 55.11 C ATOM 999 CD1 TRP A 68 -1.805 0.694 -3.161 1.00 23.41 C ATOM 1000 CD2 TRP A 68 -0.583 2.532 -2.771 1.00 44.22 C ATOM 1001 NE1 TRP A 68 -2.598 1.605 -2.511 1.00 13.11 N ATOM 1002 CE2 TRP A 68 -1.879 2.740 -2.271 1.00 10.34 C ATOM 1003 CE3 TRP A 68 0.357 3.566 -2.637 1.00 15.23 C ATOM 1004 CZ2 TRP A 68 -2.258 3.926 -1.650 1.00 3.54 C ATOM 1005 CZ3 TRP A 68 -0.024 4.743 -2.027 1.00 3.52 C ATOM 1006 CH2 TRP A 68 -1.322 4.915 -1.541 1.00 50.31 C ATOM 0 H TRP A 68 -0.359 1.329 -6.338 1.00 13.44 H new ATOM 0 HA TRP A 68 1.825 2.138 -4.532 1.00 42.13 H new ATOM 0 HB2 TRP A 68 0.202 -0.402 -4.513 1.00 21.01 H new ATOM 0 HB3 TRP A 68 1.307 0.182 -3.284 1.00 21.01 H new ATOM 0 HD1 TRP A 68 -2.126 -0.286 -3.483 1.00 23.41 H new ATOM 0 HE1 TRP A 68 -3.572 1.457 -2.248 1.00 13.11 H new ATOM 0 HE3 TRP A 68 1.364 3.442 -3.006 1.00 15.23 H new ATOM 0 HZ2 TRP A 68 -3.259 4.060 -1.267 1.00 3.54 H new ATOM 0 HZ3 TRP A 68 0.693 5.544 -1.924 1.00 3.52 H new ATOM 0 HH2 TRP A 68 -1.591 5.849 -1.070 1.00 50.31 H new ATOM 1017 N HIS A 69 2.710 1.097 -7.041 1.00 1.22 N ATOM 1018 CA HIS A 69 3.861 0.601 -7.778 1.00 54.32 C ATOM 1019 C HIS A 69 4.506 1.749 -8.557 1.00 15.43 C ATOM 1020 O HIS A 69 5.270 1.536 -9.492 1.00 64.14 O ATOM 1021 CB HIS A 69 3.469 -0.557 -8.703 1.00 14.11 C ATOM 1022 CG HIS A 69 4.586 -1.531 -8.930 1.00 24.43 C ATOM 1023 ND1 HIS A 69 5.061 -2.357 -7.937 1.00 4.13 N ATOM 1024 CD2 HIS A 69 5.364 -1.754 -10.012 1.00 12.51 C ATOM 1025 CE1 HIS A 69 6.087 -3.042 -8.396 1.00 5.53 C ATOM 1026 NE2 HIS A 69 6.291 -2.699 -9.654 1.00 14.44 N ATOM 0 H HIS A 69 2.241 1.888 -7.482 1.00 1.22 H new ATOM 0 HA HIS A 69 4.592 0.209 -7.071 1.00 54.32 H new ATOM 0 HB2 HIS A 69 2.617 -1.084 -8.275 1.00 14.11 H new ATOM 0 HB3 HIS A 69 3.145 -0.154 -9.663 1.00 14.11 H new ATOM 0 HD2 HIS A 69 5.273 -1.278 -10.977 1.00 12.51 H new ATOM 0 HE1 HIS A 69 6.665 -3.763 -7.837 1.00 5.53 H new ATOM 0 HE2 HIS A 69 7.019 -3.075 -10.261 1.00 14.44 H new ATOM 1035 N GLU A 70 4.214 2.971 -8.134 1.00 12.14 N ATOM 1036 CA GLU A 70 4.740 4.151 -8.793 1.00 44.11 C ATOM 1037 C GLU A 70 5.062 5.207 -7.743 1.00 73.01 C ATOM 1038 O GLU A 70 6.225 5.513 -7.516 1.00 11.54 O ATOM 1039 CB GLU A 70 3.719 4.650 -9.830 1.00 53.21 C ATOM 1040 CG GLU A 70 4.288 5.480 -10.971 1.00 64.01 C ATOM 1041 CD GLU A 70 4.352 6.955 -10.659 1.00 60.55 C ATOM 1042 OE1 GLU A 70 3.312 7.634 -10.767 1.00 23.11 O ATOM 1043 OE2 GLU A 70 5.445 7.444 -10.310 1.00 14.21 O ATOM 0 H GLU A 70 3.613 3.168 -7.334 1.00 12.14 H new ATOM 0 HA GLU A 70 5.663 3.920 -9.325 1.00 44.11 H new ATOM 0 HB2 GLU A 70 3.208 3.786 -10.254 1.00 53.21 H new ATOM 0 HB3 GLU A 70 2.965 5.245 -9.314 1.00 53.21 H new ATOM 0 HG2 GLU A 70 5.290 5.122 -11.208 1.00 64.01 H new ATOM 0 HG3 GLU A 70 3.677 5.330 -11.861 1.00 64.01 H new ATOM 1050 N GLN A 71 4.023 5.711 -7.065 1.00 2.22 N ATOM 1051 CA GLN A 71 4.184 6.796 -6.081 1.00 64.30 C ATOM 1052 C GLN A 71 4.482 6.251 -4.680 1.00 63.43 C ATOM 1053 O GLN A 71 4.902 6.994 -3.790 1.00 1.32 O ATOM 1054 CB GLN A 71 2.926 7.677 -6.040 1.00 55.33 C ATOM 1055 CG GLN A 71 2.455 8.109 -7.415 1.00 72.43 C ATOM 1056 CD GLN A 71 1.609 9.357 -7.387 1.00 54.14 C ATOM 1057 OE1 GLN A 71 0.391 9.307 -7.237 1.00 64.10 O ATOM 1058 NE2 GLN A 71 2.257 10.492 -7.553 1.00 31.12 N ATOM 0 H GLN A 71 3.062 5.387 -7.178 1.00 2.22 H new ATOM 0 HA GLN A 71 5.036 7.398 -6.398 1.00 64.30 H new ATOM 0 HB2 GLN A 71 2.124 7.131 -5.543 1.00 55.33 H new ATOM 0 HB3 GLN A 71 3.130 8.562 -5.438 1.00 55.33 H new ATOM 0 HG2 GLN A 71 3.323 8.280 -8.052 1.00 72.43 H new ATOM 0 HG3 GLN A 71 1.882 7.299 -7.867 1.00 72.43 H new ATOM 0 HE21 GLN A 71 3.270 10.488 -7.674 1.00 31.12 H new ATOM 0 HE22 GLN A 71 1.746 11.375 -7.560 1.00 31.12 H new ATOM 1067 N ALA A 72 4.282 4.939 -4.516 1.00 62.10 N ATOM 1068 CA ALA A 72 4.450 4.242 -3.235 1.00 53.45 C ATOM 1069 C ALA A 72 5.911 4.094 -2.802 1.00 43.52 C ATOM 1070 O ALA A 72 6.171 3.834 -1.628 1.00 4.22 O ATOM 1071 CB ALA A 72 3.805 2.883 -3.298 1.00 63.15 C ATOM 0 H ALA A 72 3.996 4.324 -5.277 1.00 62.10 H new ATOM 0 HA ALA A 72 3.962 4.865 -2.485 1.00 53.45 H new ATOM 0 HB1 ALA A 72 3.935 2.374 -2.343 1.00 63.15 H new ATOM 0 HB2 ALA A 72 2.741 2.995 -3.508 1.00 63.15 H new ATOM 0 HB3 ALA A 72 4.271 2.295 -4.089 1.00 63.15 H new ATOM 1077 N GLU A 73 6.838 4.188 -3.771 1.00 34.34 N ATOM 1078 CA GLU A 73 8.290 4.094 -3.532 1.00 12.33 C ATOM 1079 C GLU A 73 8.772 5.062 -2.437 1.00 2.23 C ATOM 1080 O GLU A 73 9.553 4.683 -1.564 1.00 24.34 O ATOM 1081 CB GLU A 73 9.033 4.385 -4.839 1.00 3.32 C ATOM 1082 CG GLU A 73 10.547 4.320 -4.719 1.00 74.11 C ATOM 1083 CD GLU A 73 11.249 4.896 -5.919 1.00 22.23 C ATOM 1084 OE1 GLU A 73 11.407 6.126 -5.975 1.00 12.11 O ATOM 1085 OE2 GLU A 73 11.642 4.126 -6.815 1.00 71.44 O ATOM 0 H GLU A 73 6.599 4.333 -4.752 1.00 34.34 H new ATOM 0 HA GLU A 73 8.503 3.083 -3.184 1.00 12.33 H new ATOM 0 HB2 GLU A 73 8.708 3.671 -5.596 1.00 3.32 H new ATOM 0 HB3 GLU A 73 8.749 5.376 -5.193 1.00 3.32 H new ATOM 0 HG2 GLU A 73 10.860 4.860 -3.826 1.00 74.11 H new ATOM 0 HG3 GLU A 73 10.853 3.282 -4.587 1.00 74.11 H new ATOM 1092 N LYS A 74 8.294 6.304 -2.491 1.00 2.20 N ATOM 1093 CA LYS A 74 8.686 7.329 -1.516 1.00 12.52 C ATOM 1094 C LYS A 74 7.993 7.117 -0.166 1.00 41.42 C ATOM 1095 O LYS A 74 8.559 7.414 0.889 1.00 14.01 O ATOM 1096 CB LYS A 74 8.383 8.738 -2.049 1.00 24.12 C ATOM 1097 CG LYS A 74 8.971 9.041 -3.430 1.00 2.13 C ATOM 1098 CD LYS A 74 10.463 8.731 -3.535 1.00 42.52 C ATOM 1099 CE LYS A 74 11.315 9.630 -2.654 1.00 0.33 C ATOM 1100 NZ LYS A 74 12.709 9.131 -2.559 1.00 35.33 N ATOM 0 H LYS A 74 7.634 6.628 -3.198 1.00 2.20 H new ATOM 0 HA LYS A 74 9.761 7.235 -1.364 1.00 12.52 H new ATOM 0 HB2 LYS A 74 7.302 8.870 -2.093 1.00 24.12 H new ATOM 0 HB3 LYS A 74 8.765 9.470 -1.338 1.00 24.12 H new ATOM 0 HG2 LYS A 74 8.433 8.462 -4.181 1.00 2.13 H new ATOM 0 HG3 LYS A 74 8.809 10.093 -3.663 1.00 2.13 H new ATOM 0 HD2 LYS A 74 10.634 7.691 -3.258 1.00 42.52 H new ATOM 0 HD3 LYS A 74 10.780 8.840 -4.572 1.00 42.52 H new ATOM 0 HE2 LYS A 74 11.316 10.642 -3.058 1.00 0.33 H new ATOM 0 HE3 LYS A 74 10.878 9.685 -1.657 1.00 0.33 H new ATOM 0 HZ1 LYS A 74 13.264 9.766 -1.951 1.00 35.33 H new ATOM 0 HZ2 LYS A 74 12.708 8.174 -2.151 1.00 35.33 H new ATOM 0 HZ3 LYS A 74 13.133 9.102 -3.508 1.00 35.33 H new ATOM 1114 N VAL A 75 6.777 6.576 -0.224 1.00 61.23 N ATOM 1115 CA VAL A 75 5.923 6.384 0.951 1.00 4.43 C ATOM 1116 C VAL A 75 6.429 5.225 1.839 1.00 62.43 C ATOM 1117 O VAL A 75 6.315 5.282 3.067 1.00 72.43 O ATOM 1118 CB VAL A 75 4.444 6.131 0.533 1.00 51.35 C ATOM 1119 CG1 VAL A 75 3.515 6.225 1.725 1.00 3.20 C ATOM 1120 CG2 VAL A 75 3.990 7.105 -0.543 1.00 41.13 C ATOM 0 H VAL A 75 6.352 6.255 -1.094 1.00 61.23 H new ATOM 0 HA VAL A 75 5.969 7.304 1.534 1.00 4.43 H new ATOM 0 HB VAL A 75 4.400 5.121 0.126 1.00 51.35 H new ATOM 0 HG11 VAL A 75 2.490 6.044 1.402 1.00 3.20 H new ATOM 0 HG12 VAL A 75 3.799 5.479 2.467 1.00 3.20 H new ATOM 0 HG13 VAL A 75 3.587 7.220 2.165 1.00 3.20 H new ATOM 0 HG21 VAL A 75 2.953 6.897 -0.808 1.00 41.13 H new ATOM 0 HG22 VAL A 75 4.071 8.125 -0.168 1.00 41.13 H new ATOM 0 HG23 VAL A 75 4.620 6.992 -1.425 1.00 41.13 H new ATOM 1130 N GLU A 76 6.993 4.187 1.203 1.00 21.23 N ATOM 1131 CA GLU A 76 7.445 2.980 1.906 1.00 54.12 C ATOM 1132 C GLU A 76 8.610 3.261 2.869 1.00 32.20 C ATOM 1133 O GLU A 76 8.683 2.662 3.939 1.00 55.51 O ATOM 1134 CB GLU A 76 7.820 1.865 0.910 1.00 63.30 C ATOM 1135 CG GLU A 76 9.154 2.039 0.195 1.00 24.30 C ATOM 1136 CD GLU A 76 10.043 0.820 0.324 1.00 53.41 C ATOM 1137 OE1 GLU A 76 10.619 0.607 1.407 1.00 23.13 O ATOM 1138 OE2 GLU A 76 10.180 0.078 -0.662 1.00 62.34 O ATOM 0 H GLU A 76 7.147 4.161 0.195 1.00 21.23 H new ATOM 0 HA GLU A 76 6.605 2.639 2.510 1.00 54.12 H new ATOM 0 HB2 GLU A 76 7.837 0.916 1.445 1.00 63.30 H new ATOM 0 HB3 GLU A 76 7.033 1.794 0.159 1.00 63.30 H new ATOM 0 HG2 GLU A 76 8.973 2.243 -0.860 1.00 24.30 H new ATOM 0 HG3 GLU A 76 9.671 2.907 0.604 1.00 24.30 H new ATOM 1145 N ALA A 77 9.488 4.202 2.491 1.00 64.01 N ATOM 1146 CA ALA A 77 10.628 4.596 3.314 1.00 63.01 C ATOM 1147 C ALA A 77 10.173 5.284 4.601 1.00 72.11 C ATOM 1148 O ALA A 77 10.809 5.150 5.647 1.00 64.23 O ATOM 1149 CB ALA A 77 11.540 5.507 2.512 1.00 2.11 C ATOM 0 H ALA A 77 9.423 4.707 1.607 1.00 64.01 H new ATOM 0 HA ALA A 77 11.177 3.699 3.601 1.00 63.01 H new ATOM 0 HB1 ALA A 77 12.391 5.802 3.126 1.00 2.11 H new ATOM 0 HB2 ALA A 77 11.896 4.978 1.628 1.00 2.11 H new ATOM 0 HB3 ALA A 77 10.989 6.396 2.206 1.00 2.11 H new ATOM 1155 N TYR A 78 9.039 5.982 4.507 1.00 42.10 N ATOM 1156 CA TYR A 78 8.446 6.671 5.639 1.00 4.14 C ATOM 1157 C TYR A 78 7.762 5.685 6.604 1.00 44.34 C ATOM 1158 O TYR A 78 7.765 5.904 7.811 1.00 72.24 O ATOM 1159 CB TYR A 78 7.455 7.724 5.146 1.00 62.12 C ATOM 1160 CG TYR A 78 7.188 8.806 6.161 1.00 21.04 C ATOM 1161 CD1 TYR A 78 8.161 9.751 6.442 1.00 23.23 C ATOM 1162 CD2 TYR A 78 5.981 8.879 6.845 1.00 62.12 C ATOM 1163 CE1 TYR A 78 7.943 10.739 7.372 1.00 34.52 C ATOM 1164 CE2 TYR A 78 5.758 9.867 7.778 1.00 72.53 C ATOM 1165 CZ TYR A 78 6.744 10.795 8.037 1.00 54.23 C ATOM 1166 OH TYR A 78 6.536 11.779 8.971 1.00 54.24 O ATOM 0 H TYR A 78 8.511 6.081 3.640 1.00 42.10 H new ATOM 0 HA TYR A 78 9.243 7.167 6.193 1.00 4.14 H new ATOM 0 HB2 TYR A 78 7.840 8.178 4.233 1.00 62.12 H new ATOM 0 HB3 TYR A 78 6.515 7.237 4.887 1.00 62.12 H new ATOM 0 HD1 TYR A 78 9.107 9.711 5.922 1.00 23.23 H new ATOM 0 HD2 TYR A 78 5.208 8.152 6.643 1.00 62.12 H new ATOM 0 HE1 TYR A 78 8.712 11.468 7.579 1.00 34.52 H new ATOM 0 HE2 TYR A 78 4.816 9.915 8.304 1.00 72.53 H new ATOM 0 HH TYR A 78 5.638 11.684 9.352 1.00 54.24 H new ATOM 1176 N LEU A 79 7.181 4.604 6.058 1.00 31.53 N ATOM 1177 CA LEU A 79 6.560 3.538 6.865 1.00 71.03 C ATOM 1178 C LEU A 79 7.620 2.827 7.714 1.00 34.10 C ATOM 1179 O LEU A 79 7.387 2.547 8.897 1.00 54.43 O ATOM 1180 CB LEU A 79 5.817 2.545 5.927 1.00 11.53 C ATOM 1181 CG LEU A 79 4.925 1.433 6.556 1.00 73.12 C ATOM 1182 CD1 LEU A 79 5.725 0.203 6.973 1.00 41.45 C ATOM 1183 CD2 LEU A 79 4.123 1.955 7.740 1.00 32.33 C ATOM 0 H LEU A 79 7.128 4.444 5.052 1.00 31.53 H new ATOM 0 HA LEU A 79 5.832 3.973 7.550 1.00 71.03 H new ATOM 0 HB2 LEU A 79 5.188 3.133 5.259 1.00 11.53 H new ATOM 0 HB3 LEU A 79 6.567 2.053 5.308 1.00 11.53 H new ATOM 0 HG LEU A 79 4.233 1.129 5.770 1.00 73.12 H new ATOM 0 HD11 LEU A 79 5.053 -0.539 7.405 1.00 41.45 H new ATOM 0 HD12 LEU A 79 6.221 -0.221 6.100 1.00 41.45 H new ATOM 0 HD13 LEU A 79 6.473 0.489 7.713 1.00 41.45 H new ATOM 0 HD21 LEU A 79 3.514 1.150 8.150 1.00 32.33 H new ATOM 0 HD22 LEU A 79 4.804 2.322 8.508 1.00 32.33 H new ATOM 0 HD23 LEU A 79 3.475 2.768 7.411 1.00 32.33 H new ATOM 1195 N VAL A 80 8.775 2.551 7.100 1.00 65.22 N ATOM 1196 CA VAL A 80 9.889 1.876 7.774 1.00 20.21 C ATOM 1197 C VAL A 80 10.428 2.712 8.951 1.00 71.45 C ATOM 1198 O VAL A 80 10.621 2.178 10.036 1.00 72.13 O ATOM 1199 CB VAL A 80 11.031 1.522 6.767 1.00 21.34 C ATOM 1200 CG1 VAL A 80 12.232 0.884 7.459 1.00 30.42 C ATOM 1201 CG2 VAL A 80 10.518 0.580 5.684 1.00 44.40 C ATOM 0 H VAL A 80 8.964 2.788 6.126 1.00 65.22 H new ATOM 0 HA VAL A 80 9.503 0.942 8.183 1.00 20.21 H new ATOM 0 HB VAL A 80 11.356 2.461 6.318 1.00 21.34 H new ATOM 0 HG11 VAL A 80 12.999 0.656 6.719 1.00 30.42 H new ATOM 0 HG12 VAL A 80 12.635 1.576 8.199 1.00 30.42 H new ATOM 0 HG13 VAL A 80 11.920 -0.036 7.954 1.00 30.42 H new ATOM 0 HG21 VAL A 80 11.327 0.345 4.993 1.00 44.40 H new ATOM 0 HG22 VAL A 80 10.155 -0.339 6.143 1.00 44.40 H new ATOM 0 HG23 VAL A 80 9.704 1.060 5.140 1.00 44.40 H new ATOM 1211 N GLU A 81 10.599 4.025 8.760 1.00 2.34 N ATOM 1212 CA GLU A 81 11.135 4.883 9.824 1.00 2.21 C ATOM 1213 C GLU A 81 10.097 5.211 10.913 1.00 50.04 C ATOM 1214 O GLU A 81 10.471 5.619 12.010 1.00 61.44 O ATOM 1215 CB GLU A 81 11.744 6.164 9.256 1.00 62.34 C ATOM 1216 CG GLU A 81 10.779 7.047 8.486 1.00 12.32 C ATOM 1217 CD GLU A 81 11.445 8.291 7.970 1.00 52.31 C ATOM 1218 OE1 GLU A 81 12.290 8.178 7.062 1.00 31.23 O ATOM 1219 OE2 GLU A 81 11.143 9.384 8.481 1.00 4.02 O ATOM 0 H GLU A 81 10.378 4.512 7.891 1.00 2.34 H new ATOM 0 HA GLU A 81 11.926 4.307 10.304 1.00 2.21 H new ATOM 0 HB2 GLU A 81 12.166 6.743 10.077 1.00 62.34 H new ATOM 0 HB3 GLU A 81 12.570 5.895 8.598 1.00 62.34 H new ATOM 0 HG2 GLU A 81 10.362 6.486 7.650 1.00 12.32 H new ATOM 0 HG3 GLU A 81 9.946 7.323 9.132 1.00 12.32 H new ATOM 1226 N LYS A 82 8.804 5.062 10.604 1.00 72.31 N ATOM 1227 CA LYS A 82 7.759 5.228 11.611 1.00 25.23 C ATOM 1228 C LYS A 82 7.623 3.991 12.488 1.00 22.20 C ATOM 1229 O LYS A 82 7.279 4.117 13.668 1.00 15.53 O ATOM 1230 CB LYS A 82 6.404 5.528 10.952 1.00 64.31 C ATOM 1231 CG LYS A 82 6.216 6.984 10.563 1.00 23.54 C ATOM 1232 CD LYS A 82 6.235 7.877 11.788 1.00 3.33 C ATOM 1233 CE LYS A 82 5.990 9.328 11.437 1.00 42.45 C ATOM 1234 NZ LYS A 82 5.990 10.194 12.643 1.00 24.45 N ATOM 0 H LYS A 82 8.462 4.829 9.672 1.00 72.31 H new ATOM 0 HA LYS A 82 8.054 6.071 12.236 1.00 25.23 H new ATOM 0 HB2 LYS A 82 6.299 4.908 10.062 1.00 64.31 H new ATOM 0 HB3 LYS A 82 5.607 5.240 11.637 1.00 64.31 H new ATOM 0 HG2 LYS A 82 7.006 7.286 9.875 1.00 23.54 H new ATOM 0 HG3 LYS A 82 5.270 7.104 10.035 1.00 23.54 H new ATOM 0 HD2 LYS A 82 5.474 7.541 12.493 1.00 3.33 H new ATOM 0 HD3 LYS A 82 7.198 7.783 12.290 1.00 3.33 H new ATOM 0 HE2 LYS A 82 6.759 9.669 10.744 1.00 42.45 H new ATOM 0 HE3 LYS A 82 5.034 9.421 10.922 1.00 42.45 H new ATOM 0 HZ1 LYS A 82 5.769 11.172 12.368 1.00 24.45 H new ATOM 0 HZ2 LYS A 82 5.274 9.853 13.315 1.00 24.45 H new ATOM 0 HZ3 LYS A 82 6.928 10.164 13.092 1.00 24.45 H new ATOM 1248 N GLN A 83 7.882 2.803 11.877 1.00 32.12 N ATOM 1249 CA GLN A 83 7.751 1.471 12.524 1.00 0.40 C ATOM 1250 C GLN A 83 6.292 1.158 12.882 1.00 0.31 C ATOM 1251 O GLN A 83 6.010 0.184 13.583 1.00 63.01 O ATOM 1252 CB GLN A 83 8.644 1.357 13.778 1.00 11.02 C ATOM 1253 CG GLN A 83 10.130 1.352 13.476 1.00 2.04 C ATOM 1254 CD GLN A 83 10.612 0.013 12.967 1.00 44.25 C ATOM 1255 OE1 GLN A 83 11.035 -0.838 13.744 1.00 42.52 O ATOM 1256 NE2 GLN A 83 10.515 -0.192 11.671 1.00 54.11 N ATOM 0 H GLN A 83 8.192 2.745 10.907 1.00 32.12 H new ATOM 0 HA GLN A 83 8.090 0.734 11.796 1.00 0.40 H new ATOM 0 HB2 GLN A 83 8.422 2.189 14.447 1.00 11.02 H new ATOM 0 HB3 GLN A 83 8.389 0.442 14.312 1.00 11.02 H new ATOM 0 HG2 GLN A 83 10.349 2.120 12.734 1.00 2.04 H new ATOM 0 HG3 GLN A 83 10.682 1.614 14.379 1.00 2.04 H new ATOM 0 HE21 GLN A 83 10.157 0.545 11.063 1.00 54.11 H new ATOM 0 HE22 GLN A 83 10.797 -1.088 11.274 1.00 54.11 H new ATOM 1265 N ASP A 84 5.378 1.961 12.347 1.00 73.31 N ATOM 1266 CA ASP A 84 3.996 1.963 12.770 1.00 52.52 C ATOM 1267 C ASP A 84 3.102 2.373 11.598 1.00 41.42 C ATOM 1268 O ASP A 84 3.303 3.437 11.003 1.00 21.54 O ATOM 1269 CB ASP A 84 3.821 2.930 13.954 1.00 52.41 C ATOM 1270 CG ASP A 84 2.475 2.800 14.628 1.00 14.00 C ATOM 1271 OD1 ASP A 84 2.289 1.856 15.412 1.00 74.11 O ATOM 1272 OD2 ASP A 84 1.606 3.646 14.383 1.00 2.03 O ATOM 0 H ASP A 84 5.584 2.629 11.604 1.00 73.31 H new ATOM 0 HA ASP A 84 3.707 0.963 13.093 1.00 52.52 H new ATOM 0 HB2 ASP A 84 4.607 2.745 14.686 1.00 52.41 H new ATOM 0 HB3 ASP A 84 3.948 3.954 13.602 1.00 52.41 H new ATOM 1277 N PRO A 85 2.113 1.521 11.240 1.00 21.32 N ATOM 1278 CA PRO A 85 1.222 1.755 10.085 1.00 53.15 C ATOM 1279 C PRO A 85 0.072 2.744 10.339 1.00 3.43 C ATOM 1280 O PRO A 85 -0.768 2.944 9.467 1.00 55.33 O ATOM 1281 CB PRO A 85 0.654 0.365 9.840 1.00 55.14 C ATOM 1282 CG PRO A 85 0.582 -0.254 11.185 1.00 33.35 C ATOM 1283 CD PRO A 85 1.808 0.227 11.905 1.00 73.01 C ATOM 0 HA PRO A 85 1.768 2.207 9.257 1.00 53.15 H new ATOM 0 HB2 PRO A 85 -0.330 0.416 9.374 1.00 55.14 H new ATOM 0 HB3 PRO A 85 1.293 -0.212 9.172 1.00 55.14 H new ATOM 0 HG2 PRO A 85 -0.326 0.046 11.709 1.00 33.35 H new ATOM 0 HG3 PRO A 85 0.566 -1.342 11.118 1.00 33.35 H new ATOM 0 HD2 PRO A 85 1.623 0.357 12.971 1.00 73.01 H new ATOM 0 HD3 PRO A 85 2.633 -0.479 11.809 1.00 73.01 H new ATOM 1291 N THR A 86 0.022 3.356 11.517 1.00 61.51 N ATOM 1292 CA THR A 86 -1.071 4.262 11.842 1.00 22.32 C ATOM 1293 C THR A 86 -0.556 5.587 12.435 1.00 60.53 C ATOM 1294 O THR A 86 -1.344 6.454 12.829 1.00 71.45 O ATOM 1295 CB THR A 86 -2.129 3.565 12.763 1.00 33.34 C ATOM 1296 OG1 THR A 86 -3.255 4.421 12.998 1.00 10.11 O ATOM 1297 CG2 THR A 86 -1.555 3.121 14.094 1.00 44.41 C ATOM 0 H THR A 86 0.717 3.243 12.255 1.00 61.51 H new ATOM 0 HA THR A 86 -1.579 4.518 10.912 1.00 22.32 H new ATOM 0 HB THR A 86 -2.449 2.674 12.223 1.00 33.34 H new ATOM 0 HG1 THR A 86 -2.961 5.356 12.998 1.00 10.11 H new ATOM 0 HG21 THR A 86 -2.336 2.646 14.687 1.00 44.41 H new ATOM 0 HG22 THR A 86 -0.746 2.410 13.923 1.00 44.41 H new ATOM 0 HG23 THR A 86 -1.169 3.987 14.631 1.00 44.41 H new ATOM 1305 N ASP A 87 0.768 5.773 12.446 1.00 24.14 N ATOM 1306 CA ASP A 87 1.348 7.021 12.928 1.00 52.24 C ATOM 1307 C ASP A 87 1.522 7.988 11.764 1.00 3.45 C ATOM 1308 O ASP A 87 2.596 8.092 11.157 1.00 60.10 O ATOM 1309 CB ASP A 87 2.676 6.786 13.656 1.00 3.04 C ATOM 1310 CG ASP A 87 3.057 7.958 14.533 1.00 43.12 C ATOM 1311 OD1 ASP A 87 2.559 8.034 15.669 1.00 1.24 O ATOM 1312 OD2 ASP A 87 3.855 8.804 14.096 1.00 14.13 O ATOM 0 H ASP A 87 1.448 5.081 12.130 1.00 24.14 H new ATOM 0 HA ASP A 87 0.664 7.460 13.655 1.00 52.24 H new ATOM 0 HB2 ASP A 87 2.600 5.886 14.266 1.00 3.04 H new ATOM 0 HB3 ASP A 87 3.464 6.610 12.924 1.00 3.04 H new ATOM 1317 N ILE A 88 0.421 8.649 11.437 1.00 45.02 N ATOM 1318 CA ILE A 88 0.341 9.555 10.307 1.00 44.12 C ATOM 1319 C ILE A 88 -0.973 10.346 10.407 1.00 20.11 C ATOM 1320 O ILE A 88 -2.021 9.798 10.775 1.00 74.14 O ATOM 1321 CB ILE A 88 0.451 8.776 8.945 1.00 4.35 C ATOM 1322 CG1 ILE A 88 0.507 9.727 7.738 1.00 23.40 C ATOM 1323 CG2 ILE A 88 -0.680 7.763 8.777 1.00 4.21 C ATOM 1324 CD1 ILE A 88 1.806 10.499 7.611 1.00 11.35 C ATOM 0 H ILE A 88 -0.452 8.568 11.958 1.00 45.02 H new ATOM 0 HA ILE A 88 1.180 10.251 10.332 1.00 44.12 H new ATOM 0 HB ILE A 88 1.392 8.228 8.980 1.00 4.35 H new ATOM 0 HG12 ILE A 88 0.351 9.149 6.827 1.00 23.40 H new ATOM 0 HG13 ILE A 88 -0.318 10.436 7.810 1.00 23.40 H new ATOM 0 HG21 ILE A 88 -0.567 7.247 7.824 1.00 4.21 H new ATOM 0 HG22 ILE A 88 -0.642 7.037 9.590 1.00 4.21 H new ATOM 0 HG23 ILE A 88 -1.639 8.281 8.798 1.00 4.21 H new ATOM 0 HD11 ILE A 88 1.761 11.145 6.734 1.00 11.35 H new ATOM 0 HD12 ILE A 88 1.956 11.107 8.503 1.00 11.35 H new ATOM 0 HD13 ILE A 88 2.636 9.800 7.504 1.00 11.35 H new ATOM 1336 N LYS A 89 -0.902 11.637 10.139 1.00 63.20 N ATOM 1337 CA LYS A 89 -2.072 12.484 10.165 1.00 35.32 C ATOM 1338 C LYS A 89 -2.094 13.338 8.912 1.00 12.24 C ATOM 1339 O LYS A 89 -1.085 13.937 8.532 1.00 42.33 O ATOM 1340 CB LYS A 89 -2.106 13.343 11.438 1.00 2.11 C ATOM 1341 CG LYS A 89 -3.435 14.063 11.652 1.00 54.42 C ATOM 1342 CD LYS A 89 -3.536 14.695 13.033 1.00 21.13 C ATOM 1343 CE LYS A 89 -3.572 13.643 14.133 1.00 21.13 C ATOM 1344 NZ LYS A 89 -3.720 14.249 15.479 1.00 30.02 N ATOM 0 H LYS A 89 -0.037 12.122 9.899 1.00 63.20 H new ATOM 0 HA LYS A 89 -2.968 11.863 10.183 1.00 35.32 H new ATOM 0 HB2 LYS A 89 -1.903 12.708 12.301 1.00 2.11 H new ATOM 0 HB3 LYS A 89 -1.306 14.081 11.390 1.00 2.11 H new ATOM 0 HG2 LYS A 89 -3.553 14.836 10.892 1.00 54.42 H new ATOM 0 HG3 LYS A 89 -4.254 13.356 11.518 1.00 54.42 H new ATOM 0 HD2 LYS A 89 -2.686 15.359 13.192 1.00 21.13 H new ATOM 0 HD3 LYS A 89 -4.435 15.309 13.087 1.00 21.13 H new ATOM 0 HE2 LYS A 89 -4.400 12.957 13.951 1.00 21.13 H new ATOM 0 HE3 LYS A 89 -2.656 13.053 14.100 1.00 21.13 H new ATOM 0 HZ1 LYS A 89 -3.740 13.498 16.198 1.00 30.02 H new ATOM 0 HZ2 LYS A 89 -2.917 14.884 15.664 1.00 30.02 H new ATOM 0 HZ3 LYS A 89 -4.607 14.791 15.520 1.00 30.02 H new ATOM 1358 N TYR A 90 -3.243 13.359 8.266 1.00 14.44 N ATOM 1359 CA TYR A 90 -3.374 13.977 6.961 1.00 70.11 C ATOM 1360 C TYR A 90 -4.047 15.329 7.051 1.00 52.51 C ATOM 1361 O TYR A 90 -4.800 15.610 7.984 1.00 1.10 O ATOM 1362 CB TYR A 90 -4.183 13.078 6.028 1.00 71.31 C ATOM 1363 CG TYR A 90 -3.669 11.655 5.944 1.00 62.11 C ATOM 1364 CD1 TYR A 90 -2.486 11.356 5.273 1.00 24.25 C ATOM 1365 CD2 TYR A 90 -4.371 10.614 6.532 1.00 60.20 C ATOM 1366 CE1 TYR A 90 -2.025 10.060 5.194 1.00 64.45 C ATOM 1367 CE2 TYR A 90 -3.913 9.317 6.457 1.00 42.33 C ATOM 1368 CZ TYR A 90 -2.743 9.046 5.790 1.00 22.32 C ATOM 1369 OH TYR A 90 -2.292 7.757 5.715 1.00 63.34 O ATOM 0 H TYR A 90 -4.106 12.952 8.627 1.00 14.44 H new ATOM 0 HA TYR A 90 -2.368 14.115 6.564 1.00 70.11 H new ATOM 0 HB2 TYR A 90 -5.219 13.060 6.366 1.00 71.31 H new ATOM 0 HB3 TYR A 90 -4.181 13.514 5.029 1.00 71.31 H new ATOM 0 HD1 TYR A 90 -1.922 12.151 4.808 1.00 24.25 H new ATOM 0 HD2 TYR A 90 -5.291 10.823 7.057 1.00 60.20 H new ATOM 0 HE1 TYR A 90 -1.107 9.840 4.669 1.00 64.45 H new ATOM 0 HE2 TYR A 90 -4.471 8.517 6.920 1.00 42.33 H new ATOM 0 HH TYR A 90 -1.312 7.751 5.738 1.00 63.34 H new ATOM 1379 N LYS A 91 -3.764 16.159 6.063 1.00 3.15 N ATOM 1380 CA LYS A 91 -4.412 17.449 5.918 1.00 3.25 C ATOM 1381 C LYS A 91 -5.106 17.504 4.554 1.00 43.54 C ATOM 1382 O LYS A 91 -4.551 18.002 3.579 1.00 62.35 O ATOM 1383 CB LYS A 91 -3.398 18.619 6.107 1.00 4.55 C ATOM 1384 CG LYS A 91 -1.901 18.269 5.926 1.00 63.41 C ATOM 1385 CD LYS A 91 -1.481 18.067 4.468 1.00 40.21 C ATOM 1386 CE LYS A 91 -1.528 19.363 3.663 1.00 3.54 C ATOM 1387 NZ LYS A 91 -0.553 20.367 4.164 1.00 12.14 N ATOM 0 H LYS A 91 -3.077 15.956 5.337 1.00 3.15 H new ATOM 0 HA LYS A 91 -5.163 17.569 6.699 1.00 3.25 H new ATOM 0 HB2 LYS A 91 -3.652 19.409 5.400 1.00 4.55 H new ATOM 0 HB3 LYS A 91 -3.534 19.031 7.107 1.00 4.55 H new ATOM 0 HG2 LYS A 91 -1.297 19.066 6.360 1.00 63.41 H new ATOM 0 HG3 LYS A 91 -1.681 17.360 6.486 1.00 63.41 H new ATOM 0 HD2 LYS A 91 -0.470 17.660 4.437 1.00 40.21 H new ATOM 0 HD3 LYS A 91 -2.136 17.330 4.003 1.00 40.21 H new ATOM 0 HE2 LYS A 91 -1.319 19.146 2.615 1.00 3.54 H new ATOM 0 HE3 LYS A 91 -2.534 19.781 3.708 1.00 3.54 H new ATOM 0 HZ1 LYS A 91 -0.433 21.118 3.455 1.00 12.14 H new ATOM 0 HZ2 LYS A 91 -0.906 20.781 5.050 1.00 12.14 H new ATOM 0 HZ3 LYS A 91 0.362 19.905 4.338 1.00 12.14 H new ATOM 1401 N ASP A 92 -6.327 16.970 4.485 1.00 2.22 N ATOM 1402 CA ASP A 92 -7.017 16.767 3.209 1.00 2.41 C ATOM 1403 C ASP A 92 -8.503 16.522 3.505 1.00 42.13 C ATOM 1404 O ASP A 92 -8.950 16.765 4.626 1.00 54.23 O ATOM 1405 CB ASP A 92 -6.389 15.569 2.478 1.00 24.24 C ATOM 1406 CG ASP A 92 -6.661 15.527 0.981 1.00 1.24 C ATOM 1407 OD1 ASP A 92 -6.387 16.522 0.291 1.00 2.00 O ATOM 1408 OD2 ASP A 92 -7.136 14.478 0.499 1.00 65.02 O ATOM 0 H ASP A 92 -6.860 16.669 5.301 1.00 2.22 H new ATOM 0 HA ASP A 92 -6.920 17.642 2.566 1.00 2.41 H new ATOM 0 HB2 ASP A 92 -5.311 15.587 2.638 1.00 24.24 H new ATOM 0 HB3 ASP A 92 -6.763 14.649 2.928 1.00 24.24 H new ATOM 1413 N ASN A 93 -9.266 16.062 2.514 1.00 12.54 N ATOM 1414 CA ASN A 93 -10.599 15.520 2.763 1.00 23.30 C ATOM 1415 C ASN A 93 -10.537 13.982 2.742 1.00 62.15 C ATOM 1416 O ASN A 93 -11.458 13.305 3.191 1.00 52.35 O ATOM 1417 CB ASN A 93 -11.619 16.067 1.731 1.00 2.41 C ATOM 1418 CG ASN A 93 -11.764 15.234 0.461 1.00 41.31 C ATOM 1419 OD1 ASN A 93 -12.650 14.387 0.364 1.00 44.53 O ATOM 1420 ND2 ASN A 93 -10.911 15.477 -0.517 1.00 21.24 N ATOM 0 H ASN A 93 -8.984 16.054 1.534 1.00 12.54 H new ATOM 0 HA ASN A 93 -10.941 15.839 3.748 1.00 23.30 H new ATOM 0 HB2 ASN A 93 -12.594 16.141 2.212 1.00 2.41 H new ATOM 0 HB3 ASN A 93 -11.323 17.078 1.452 1.00 2.41 H new ATOM 0 HD21 ASN A 93 -10.974 14.954 -1.390 1.00 21.24 H new ATOM 0 HD22 ASN A 93 -10.189 16.188 -0.399 1.00 21.24 H new ATOM 1427 N ASP A 94 -9.418 13.455 2.239 1.00 23.32 N ATOM 1428 CA ASP A 94 -9.233 12.021 2.061 1.00 14.21 C ATOM 1429 C ASP A 94 -8.001 11.532 2.796 1.00 52.23 C ATOM 1430 O ASP A 94 -8.102 10.661 3.650 1.00 71.31 O ATOM 1431 CB ASP A 94 -9.097 11.678 0.580 1.00 74.32 C ATOM 1432 CG ASP A 94 -10.420 11.562 -0.133 1.00 64.22 C ATOM 1433 OD1 ASP A 94 -11.270 10.763 0.303 1.00 20.10 O ATOM 1434 OD2 ASP A 94 -10.607 12.267 -1.149 1.00 74.33 O ATOM 0 H ASP A 94 -8.617 14.014 1.945 1.00 23.32 H new ATOM 0 HA ASP A 94 -10.112 11.525 2.473 1.00 14.21 H new ATOM 0 HB2 ASP A 94 -8.496 12.444 0.091 1.00 74.32 H new ATOM 0 HB3 ASP A 94 -8.556 10.737 0.481 1.00 74.32 H new ATOM 1439 N GLY A 95 -6.844 12.126 2.497 1.00 4.54 N ATOM 1440 CA GLY A 95 -5.611 11.615 3.056 1.00 34.42 C ATOM 1441 C GLY A 95 -4.356 12.010 2.305 1.00 53.33 C ATOM 1442 O GLY A 95 -3.593 11.153 1.904 1.00 61.50 O ATOM 0 H GLY A 95 -6.744 12.938 1.888 1.00 4.54 H new ATOM 0 HA2 GLY A 95 -5.525 11.962 4.086 1.00 34.42 H new ATOM 0 HA3 GLY A 95 -5.669 10.527 3.090 1.00 34.42 H new ATOM 1446 N HIS A 96 -4.119 13.301 2.148 1.00 23.14 N ATOM 1447 CA HIS A 96 -2.859 13.784 1.577 1.00 42.44 C ATOM 1448 C HIS A 96 -1.880 14.188 2.662 1.00 4.35 C ATOM 1449 O HIS A 96 -2.270 14.682 3.722 1.00 21.25 O ATOM 1450 CB HIS A 96 -3.062 14.976 0.641 1.00 62.51 C ATOM 1451 CG HIS A 96 -3.358 14.608 -0.776 1.00 43.25 C ATOM 1452 ND1 HIS A 96 -4.418 15.125 -1.478 1.00 43.42 N ATOM 1453 CD2 HIS A 96 -2.700 13.802 -1.630 1.00 23.45 C ATOM 1454 CE1 HIS A 96 -4.404 14.651 -2.703 1.00 11.22 C ATOM 1455 NE2 HIS A 96 -3.370 13.848 -2.828 1.00 61.44 N ATOM 0 H HIS A 96 -4.776 14.037 2.405 1.00 23.14 H new ATOM 0 HA HIS A 96 -2.455 12.950 1.003 1.00 42.44 H new ATOM 0 HB2 HIS A 96 -3.880 15.586 1.023 1.00 62.51 H new ATOM 0 HB3 HIS A 96 -2.165 15.595 0.662 1.00 62.51 H new ATOM 0 HD2 HIS A 96 -1.812 13.227 -1.414 1.00 23.45 H new ATOM 0 HE1 HIS A 96 -5.121 14.882 -3.477 1.00 11.22 H new ATOM 0 HE2 HIS A 96 -3.109 13.343 -3.675 1.00 61.44 H new ATOM 1464 N THR A 97 -0.609 13.988 2.370 1.00 32.31 N ATOM 1465 CA THR A 97 0.463 14.399 3.250 1.00 14.15 C ATOM 1466 C THR A 97 1.526 15.131 2.427 1.00 44.33 C ATOM 1467 O THR A 97 1.791 14.779 1.270 1.00 62.53 O ATOM 1468 CB THR A 97 1.068 13.191 4.039 1.00 1.50 C ATOM 1469 OG1 THR A 97 2.185 13.605 4.839 1.00 20.22 O ATOM 1470 CG2 THR A 97 1.510 12.067 3.116 1.00 3.45 C ATOM 0 H THR A 97 -0.292 13.535 1.513 1.00 32.31 H new ATOM 0 HA THR A 97 0.064 15.078 4.004 1.00 14.15 H new ATOM 0 HB THR A 97 0.273 12.817 4.684 1.00 1.50 H new ATOM 0 HG1 THR A 97 2.544 12.833 5.324 1.00 20.22 H new ATOM 0 HG21 THR A 97 1.923 11.251 3.709 1.00 3.45 H new ATOM 0 HG22 THR A 97 0.653 11.705 2.547 1.00 3.45 H new ATOM 0 HG23 THR A 97 2.271 12.438 2.429 1.00 3.45 H new ATOM 1478 N ASP A 98 2.093 16.176 3.008 1.00 64.54 N ATOM 1479 CA ASP A 98 3.127 16.959 2.339 1.00 75.45 C ATOM 1480 C ASP A 98 4.501 16.655 2.946 1.00 33.15 C ATOM 1481 O ASP A 98 5.517 17.203 2.522 1.00 72.04 O ATOM 1482 CB ASP A 98 2.812 18.467 2.406 1.00 51.51 C ATOM 1483 CG ASP A 98 2.835 19.031 3.816 1.00 54.22 C ATOM 1484 OD1 ASP A 98 1.908 18.737 4.593 1.00 42.24 O ATOM 1485 OD2 ASP A 98 3.774 19.782 4.138 1.00 44.10 O ATOM 0 H ASP A 98 1.856 16.505 3.944 1.00 64.54 H new ATOM 0 HA ASP A 98 3.146 16.674 1.287 1.00 75.45 H new ATOM 0 HB2 ASP A 98 3.535 19.008 1.795 1.00 51.51 H new ATOM 0 HB3 ASP A 98 1.829 18.644 1.969 1.00 51.51 H new ATOM 1490 N ALA A 99 4.510 15.755 3.936 1.00 43.50 N ATOM 1491 CA ALA A 99 5.743 15.298 4.566 1.00 0.42 C ATOM 1492 C ALA A 99 6.445 14.277 3.677 1.00 32.55 C ATOM 1493 O ALA A 99 7.676 14.233 3.613 1.00 52.32 O ATOM 1494 CB ALA A 99 5.443 14.698 5.924 1.00 53.23 C ATOM 0 H ALA A 99 3.666 15.328 4.317 1.00 43.50 H new ATOM 0 HA ALA A 99 6.406 16.153 4.701 1.00 0.42 H new ATOM 0 HB1 ALA A 99 6.371 14.360 6.385 1.00 53.23 H new ATOM 0 HB2 ALA A 99 4.975 15.450 6.559 1.00 53.23 H new ATOM 0 HB3 ALA A 99 4.767 13.851 5.806 1.00 53.23 H new ATOM 1500 N ILE A 100 5.645 13.457 2.996 1.00 2.54 N ATOM 1501 CA ILE A 100 6.162 12.508 2.023 1.00 71.34 C ATOM 1502 C ILE A 100 6.176 13.146 0.628 1.00 72.32 C ATOM 1503 O ILE A 100 5.130 13.292 -0.016 1.00 33.21 O ATOM 1504 CB ILE A 100 5.333 11.192 1.998 1.00 3.14 C ATOM 1505 CG1 ILE A 100 5.178 10.638 3.423 1.00 31.42 C ATOM 1506 CG2 ILE A 100 6.007 10.159 1.092 1.00 31.33 C ATOM 1507 CD1 ILE A 100 4.223 9.467 3.543 1.00 34.15 C ATOM 0 H ILE A 100 4.631 13.435 3.105 1.00 2.54 H new ATOM 0 HA ILE A 100 7.179 12.251 2.319 1.00 71.34 H new ATOM 0 HB ILE A 100 4.342 11.407 1.599 1.00 3.14 H new ATOM 0 HG12 ILE A 100 6.158 10.330 3.788 1.00 31.42 H new ATOM 0 HG13 ILE A 100 4.833 11.440 4.075 1.00 31.42 H new ATOM 0 HG21 ILE A 100 5.417 9.243 1.083 1.00 31.33 H new ATOM 0 HG22 ILE A 100 6.078 10.555 0.079 1.00 31.33 H new ATOM 0 HG23 ILE A 100 7.007 9.943 1.468 1.00 31.33 H new ATOM 0 HD11 ILE A 100 4.176 9.141 4.582 1.00 34.15 H new ATOM 0 HD12 ILE A 100 3.230 9.772 3.213 1.00 34.15 H new ATOM 0 HD13 ILE A 100 4.576 8.645 2.921 1.00 34.15 H new ATOM 1519 N SER A 101 7.366 13.565 0.206 1.00 34.20 N ATOM 1520 CA SER A 101 7.581 14.134 -1.120 1.00 30.00 C ATOM 1521 C SER A 101 7.616 13.043 -2.194 1.00 34.12 C ATOM 1522 O SER A 101 8.458 12.143 -2.153 1.00 22.22 O ATOM 1523 CB SER A 101 8.882 14.943 -1.124 1.00 73.52 C ATOM 1524 OG SER A 101 9.928 14.232 -0.479 1.00 42.23 O ATOM 0 H SER A 101 8.210 13.519 0.776 1.00 34.20 H new ATOM 0 HA SER A 101 6.747 14.795 -1.356 1.00 30.00 H new ATOM 0 HB2 SER A 101 9.171 15.168 -2.151 1.00 73.52 H new ATOM 0 HB3 SER A 101 8.722 15.897 -0.621 1.00 73.52 H new ATOM 0 HG SER A 101 9.882 13.285 -0.728 1.00 42.23 H new ATOM 1530 N GLY A 102 6.692 13.140 -3.145 1.00 73.44 N ATOM 1531 CA GLY A 102 6.561 12.137 -4.184 1.00 64.54 C ATOM 1532 C GLY A 102 5.155 11.573 -4.257 1.00 51.50 C ATOM 1533 O GLY A 102 4.704 11.131 -5.317 1.00 43.42 O ATOM 0 H GLY A 102 6.023 13.907 -3.213 1.00 73.44 H new ATOM 0 HA2 GLY A 102 6.826 12.575 -5.146 1.00 64.54 H new ATOM 0 HA3 GLY A 102 7.267 11.328 -3.997 1.00 64.54 H new ATOM 1537 N ALA A 103 4.463 11.593 -3.119 1.00 44.01 N ATOM 1538 CA ALA A 103 3.099 11.095 -3.024 1.00 74.21 C ATOM 1539 C ALA A 103 2.083 12.162 -3.435 1.00 72.22 C ATOM 1540 O ALA A 103 1.881 13.152 -2.729 1.00 42.52 O ATOM 1541 CB ALA A 103 2.836 10.625 -1.606 1.00 32.20 C ATOM 0 H ALA A 103 4.834 11.955 -2.241 1.00 44.01 H new ATOM 0 HA ALA A 103 2.985 10.258 -3.713 1.00 74.21 H new ATOM 0 HB1 ALA A 103 1.815 10.251 -1.530 1.00 32.20 H new ATOM 0 HB2 ALA A 103 3.534 9.828 -1.352 1.00 32.20 H new ATOM 0 HB3 ALA A 103 2.969 11.458 -0.916 1.00 32.20 H new ATOM 1547 N THR A 104 1.473 11.966 -4.600 1.00 44.40 N ATOM 1548 CA THR A 104 0.449 12.884 -5.098 1.00 11.24 C ATOM 1549 C THR A 104 -0.943 12.216 -5.030 1.00 52.54 C ATOM 1550 O THR A 104 -1.975 12.870 -5.186 1.00 24.25 O ATOM 1551 CB THR A 104 0.781 13.333 -6.544 1.00 62.41 C ATOM 1552 OG1 THR A 104 2.202 13.500 -6.673 1.00 34.12 O ATOM 1553 CG2 THR A 104 0.104 14.653 -6.903 1.00 63.23 C ATOM 0 H THR A 104 1.669 11.179 -5.219 1.00 44.40 H new ATOM 0 HA THR A 104 0.433 13.772 -4.466 1.00 11.24 H new ATOM 0 HB THR A 104 0.412 12.563 -7.221 1.00 62.41 H new ATOM 0 HG1 THR A 104 2.417 13.782 -7.587 1.00 34.12 H new ATOM 0 HG21 THR A 104 0.364 14.929 -7.925 1.00 63.23 H new ATOM 0 HG22 THR A 104 -0.977 14.541 -6.822 1.00 63.23 H new ATOM 0 HG23 THR A 104 0.441 15.432 -6.219 1.00 63.23 H new ATOM 1561 N ILE A 105 -0.954 10.902 -4.784 1.00 13.54 N ATOM 1562 CA ILE A 105 -2.184 10.169 -4.487 1.00 4.13 C ATOM 1563 C ILE A 105 -2.439 10.244 -2.969 1.00 23.43 C ATOM 1564 O ILE A 105 -1.523 10.587 -2.206 1.00 0.54 O ATOM 1565 CB ILE A 105 -2.080 8.692 -5.014 1.00 14.25 C ATOM 1566 CG1 ILE A 105 -3.484 8.000 -5.107 1.00 22.24 C ATOM 1567 CG2 ILE A 105 -1.054 7.867 -4.217 1.00 41.15 C ATOM 1568 CD1 ILE A 105 -3.838 6.977 -4.035 1.00 31.15 C ATOM 0 H ILE A 105 -0.115 10.322 -4.786 1.00 13.54 H new ATOM 0 HA ILE A 105 -3.036 10.616 -5.000 1.00 4.13 H new ATOM 0 HB ILE A 105 -1.701 8.740 -6.035 1.00 14.25 H new ATOM 0 HG12 ILE A 105 -4.245 8.780 -5.091 1.00 22.24 H new ATOM 0 HG13 ILE A 105 -3.552 7.508 -6.077 1.00 22.24 H new ATOM 0 HG21 ILE A 105 -1.015 6.853 -4.615 1.00 41.15 H new ATOM 0 HG22 ILE A 105 -0.070 8.329 -4.303 1.00 41.15 H new ATOM 0 HG23 ILE A 105 -1.349 7.834 -3.168 1.00 41.15 H new ATOM 0 HD11 ILE A 105 -4.836 6.581 -4.225 1.00 31.15 H new ATOM 0 HD12 ILE A 105 -3.114 6.162 -4.056 1.00 31.15 H new ATOM 0 HD13 ILE A 105 -3.818 7.455 -3.055 1.00 31.15 H new ATOM 1580 N LYS A 106 -3.676 9.989 -2.535 1.00 52.11 N ATOM 1581 CA LYS A 106 -3.987 9.940 -1.121 1.00 0.43 C ATOM 1582 C LYS A 106 -3.372 8.704 -0.463 1.00 24.25 C ATOM 1583 O LYS A 106 -3.730 7.561 -0.751 1.00 10.12 O ATOM 1584 CB LYS A 106 -5.498 10.015 -0.888 1.00 32.51 C ATOM 1585 CG LYS A 106 -6.092 11.351 -1.314 1.00 62.02 C ATOM 1586 CD LYS A 106 -6.942 11.222 -2.571 1.00 45.34 C ATOM 1587 CE LYS A 106 -7.343 12.581 -3.138 1.00 50.22 C ATOM 1588 NZ LYS A 106 -8.116 13.407 -2.171 1.00 4.42 N ATOM 0 H LYS A 106 -4.472 9.815 -3.149 1.00 52.11 H new ATOM 0 HA LYS A 106 -3.541 10.814 -0.647 1.00 0.43 H new ATOM 0 HB2 LYS A 106 -5.987 9.212 -1.440 1.00 32.51 H new ATOM 0 HB3 LYS A 106 -5.707 9.849 0.169 1.00 32.51 H new ATOM 0 HG2 LYS A 106 -6.701 11.752 -0.504 1.00 62.02 H new ATOM 0 HG3 LYS A 106 -5.288 12.065 -1.492 1.00 62.02 H new ATOM 0 HD2 LYS A 106 -6.388 10.664 -3.326 1.00 45.34 H new ATOM 0 HD3 LYS A 106 -7.839 10.646 -2.343 1.00 45.34 H new ATOM 0 HE2 LYS A 106 -6.446 13.124 -3.436 1.00 50.22 H new ATOM 0 HE3 LYS A 106 -7.939 12.432 -4.038 1.00 50.22 H new ATOM 0 HZ1 LYS A 106 -8.404 14.296 -2.627 1.00 4.42 H new ATOM 0 HZ2 LYS A 106 -8.962 12.884 -1.866 1.00 4.42 H new ATOM 0 HZ3 LYS A 106 -7.523 13.619 -1.343 1.00 4.42 H new ATOM 1602 N VAL A 107 -2.451 8.997 0.451 1.00 30.21 N ATOM 1603 CA VAL A 107 -1.640 8.024 1.190 1.00 45.53 C ATOM 1604 C VAL A 107 -2.474 7.299 2.273 1.00 74.32 C ATOM 1605 O VAL A 107 -2.021 6.323 2.888 1.00 22.25 O ATOM 1606 CB VAL A 107 -0.430 8.795 1.813 1.00 21.11 C ATOM 1607 CG1 VAL A 107 0.501 7.924 2.621 1.00 40.15 C ATOM 1608 CG2 VAL A 107 0.370 9.456 0.717 1.00 63.53 C ATOM 0 H VAL A 107 -2.238 9.960 0.711 1.00 30.21 H new ATOM 0 HA VAL A 107 -1.280 7.246 0.517 1.00 45.53 H new ATOM 0 HB VAL A 107 -0.862 9.527 2.495 1.00 21.11 H new ATOM 0 HG11 VAL A 107 1.314 8.532 3.019 1.00 40.15 H new ATOM 0 HG12 VAL A 107 -0.049 7.469 3.445 1.00 40.15 H new ATOM 0 HG13 VAL A 107 0.912 7.141 1.983 1.00 40.15 H new ATOM 0 HG21 VAL A 107 1.212 9.992 1.154 1.00 63.53 H new ATOM 0 HG22 VAL A 107 0.741 8.697 0.029 1.00 63.53 H new ATOM 0 HG23 VAL A 107 -0.265 10.157 0.175 1.00 63.53 H new ATOM 1618 N LYS A 108 -3.725 7.762 2.453 1.00 1.05 N ATOM 1619 CA LYS A 108 -4.676 7.170 3.392 1.00 12.21 C ATOM 1620 C LYS A 108 -4.884 5.683 3.107 1.00 14.31 C ATOM 1621 O LYS A 108 -4.926 4.910 4.040 1.00 50.44 O ATOM 1622 CB LYS A 108 -6.014 7.933 3.346 1.00 54.51 C ATOM 1623 CG LYS A 108 -6.937 7.680 4.543 1.00 13.12 C ATOM 1624 CD LYS A 108 -7.909 6.530 4.303 1.00 24.22 C ATOM 1625 CE LYS A 108 -8.780 6.269 5.516 1.00 42.54 C ATOM 1626 NZ LYS A 108 -9.690 5.116 5.299 1.00 44.14 N ATOM 0 H LYS A 108 -4.100 8.563 1.944 1.00 1.05 H new ATOM 0 HA LYS A 108 -4.262 7.255 4.397 1.00 12.21 H new ATOM 0 HB2 LYS A 108 -5.806 9.001 3.285 1.00 54.51 H new ATOM 0 HB3 LYS A 108 -6.542 7.658 2.433 1.00 54.51 H new ATOM 0 HG2 LYS A 108 -6.332 7.462 5.423 1.00 13.12 H new ATOM 0 HG3 LYS A 108 -7.500 8.587 4.760 1.00 13.12 H new ATOM 0 HD2 LYS A 108 -8.540 6.760 3.445 1.00 24.22 H new ATOM 0 HD3 LYS A 108 -7.351 5.627 4.055 1.00 24.22 H new ATOM 0 HE2 LYS A 108 -8.148 6.076 6.383 1.00 42.54 H new ATOM 0 HE3 LYS A 108 -9.367 7.159 5.741 1.00 42.54 H new ATOM 0 HZ1 LYS A 108 -10.555 5.246 5.862 1.00 44.14 H new ATOM 0 HZ2 LYS A 108 -9.939 5.055 4.291 1.00 44.14 H new ATOM 0 HZ3 LYS A 108 -9.215 4.239 5.592 1.00 44.14 H new ATOM 1640 N LYS A 109 -4.946 5.300 1.821 1.00 44.32 N ATOM 1641 CA LYS A 109 -5.165 3.901 1.425 1.00 43.13 C ATOM 1642 C LYS A 109 -3.950 3.010 1.759 1.00 55.31 C ATOM 1643 O LYS A 109 -4.126 1.850 2.117 1.00 4.41 O ATOM 1644 CB LYS A 109 -5.466 3.828 -0.077 1.00 62.13 C ATOM 1645 CG LYS A 109 -6.082 2.510 -0.545 1.00 44.32 C ATOM 1646 CD LYS A 109 -7.523 2.370 -0.073 1.00 25.41 C ATOM 1647 CE LYS A 109 -8.362 1.531 -1.026 1.00 4.44 C ATOM 1648 NZ LYS A 109 -8.487 2.162 -2.371 1.00 12.55 N ATOM 0 H LYS A 109 -4.847 5.943 1.036 1.00 44.32 H new ATOM 0 HA LYS A 109 -6.016 3.525 1.993 1.00 43.13 H new ATOM 0 HB2 LYS A 109 -6.143 4.642 -0.337 1.00 62.13 H new ATOM 0 HB3 LYS A 109 -4.540 3.995 -0.627 1.00 62.13 H new ATOM 0 HG2 LYS A 109 -6.047 2.457 -1.633 1.00 44.32 H new ATOM 0 HG3 LYS A 109 -5.491 1.676 -0.166 1.00 44.32 H new ATOM 0 HD2 LYS A 109 -7.536 1.914 0.917 1.00 25.41 H new ATOM 0 HD3 LYS A 109 -7.969 3.360 0.025 1.00 25.41 H new ATOM 0 HE2 LYS A 109 -7.912 0.544 -1.130 1.00 4.44 H new ATOM 0 HE3 LYS A 109 -9.355 1.386 -0.601 1.00 4.44 H new ATOM 0 HZ1 LYS A 109 -9.493 2.263 -2.615 1.00 12.55 H new ATOM 0 HZ2 LYS A 109 -8.038 3.100 -2.357 1.00 12.55 H new ATOM 0 HZ3 LYS A 109 -8.017 1.564 -3.080 1.00 12.55 H new ATOM 1662 N PHE A 110 -2.731 3.565 1.653 1.00 15.53 N ATOM 1663 CA PHE A 110 -1.498 2.829 1.974 1.00 20.30 C ATOM 1664 C PHE A 110 -1.455 2.463 3.457 1.00 1.25 C ATOM 1665 O PHE A 110 -1.293 1.297 3.799 1.00 63.30 O ATOM 1666 CB PHE A 110 -0.245 3.650 1.581 1.00 52.02 C ATOM 1667 CG PHE A 110 1.065 3.078 2.075 1.00 62.55 C ATOM 1668 CD1 PHE A 110 1.658 1.988 1.456 1.00 62.32 C ATOM 1669 CD2 PHE A 110 1.684 3.624 3.187 1.00 71.42 C ATOM 1670 CE1 PHE A 110 2.839 1.456 1.947 1.00 50.12 C ATOM 1671 CE2 PHE A 110 2.861 3.104 3.674 1.00 21.20 C ATOM 1672 CZ PHE A 110 3.437 2.017 3.062 1.00 20.44 C ATOM 0 H PHE A 110 -2.574 4.525 1.346 1.00 15.53 H new ATOM 0 HA PHE A 110 -1.497 1.907 1.393 1.00 20.30 H new ATOM 0 HB2 PHE A 110 -0.205 3.729 0.495 1.00 52.02 H new ATOM 0 HB3 PHE A 110 -0.354 4.662 1.970 1.00 52.02 H new ATOM 0 HD1 PHE A 110 1.195 1.550 0.584 1.00 62.32 H new ATOM 0 HD2 PHE A 110 1.235 4.473 3.681 1.00 71.42 H new ATOM 0 HE1 PHE A 110 3.292 0.605 1.461 1.00 50.12 H new ATOM 0 HE2 PHE A 110 3.332 3.550 4.537 1.00 21.20 H new ATOM 0 HZ PHE A 110 4.355 1.601 3.450 1.00 20.44 H new ATOM 1682 N PHE A 111 -1.609 3.466 4.323 1.00 15.40 N ATOM 1683 CA PHE A 111 -1.547 3.250 5.764 1.00 73.34 C ATOM 1684 C PHE A 111 -2.787 2.517 6.288 1.00 40.10 C ATOM 1685 O PHE A 111 -2.696 1.830 7.293 1.00 45.33 O ATOM 1686 CB PHE A 111 -1.332 4.565 6.513 1.00 40.53 C ATOM 1687 CG PHE A 111 0.099 5.063 6.502 1.00 11.23 C ATOM 1688 CD1 PHE A 111 1.019 4.589 7.425 1.00 62.15 C ATOM 1689 CD2 PHE A 111 0.518 6.015 5.595 1.00 72.40 C ATOM 1690 CE1 PHE A 111 2.319 5.057 7.443 1.00 21.01 C ATOM 1691 CE2 PHE A 111 1.820 6.484 5.606 1.00 24.32 C ATOM 1692 CZ PHE A 111 2.720 6.003 6.528 1.00 71.14 C ATOM 0 H PHE A 111 -1.777 4.434 4.049 1.00 15.40 H new ATOM 0 HA PHE A 111 -0.687 2.608 5.953 1.00 73.34 H new ATOM 0 HB2 PHE A 111 -1.973 5.329 6.073 1.00 40.53 H new ATOM 0 HB3 PHE A 111 -1.652 4.437 7.547 1.00 40.53 H new ATOM 0 HD1 PHE A 111 0.714 3.841 8.142 1.00 62.15 H new ATOM 0 HD2 PHE A 111 -0.180 6.400 4.866 1.00 72.40 H new ATOM 0 HE1 PHE A 111 3.019 4.681 8.174 1.00 21.01 H new ATOM 0 HE2 PHE A 111 2.130 7.230 4.889 1.00 24.32 H new ATOM 0 HZ PHE A 111 3.737 6.366 6.534 1.00 71.14 H new ATOM 1702 N ASP A 112 -3.929 2.669 5.588 1.00 54.44 N ATOM 1703 CA ASP A 112 -5.185 1.944 5.894 1.00 45.54 C ATOM 1704 C ASP A 112 -4.961 0.452 5.820 1.00 13.02 C ATOM 1705 O ASP A 112 -5.193 -0.280 6.781 1.00 70.34 O ATOM 1706 CB ASP A 112 -6.264 2.286 4.857 1.00 43.53 C ATOM 1707 CG ASP A 112 -7.671 1.943 5.299 1.00 45.11 C ATOM 1708 OD1 ASP A 112 -8.206 2.651 6.179 1.00 21.33 O ATOM 1709 OD2 ASP A 112 -8.263 0.994 4.739 1.00 2.21 O ATOM 0 H ASP A 112 -4.009 3.300 4.791 1.00 54.44 H new ATOM 0 HA ASP A 112 -5.500 2.240 6.895 1.00 45.54 H new ATOM 0 HB2 ASP A 112 -6.214 3.352 4.633 1.00 43.53 H new ATOM 0 HB3 ASP A 112 -6.045 1.755 3.931 1.00 43.53 H new ATOM 1714 N LEU A 113 -4.444 0.044 4.668 1.00 5.12 N ATOM 1715 CA LEU A 113 -4.235 -1.348 4.342 1.00 64.51 C ATOM 1716 C LEU A 113 -3.020 -1.932 5.070 1.00 12.42 C ATOM 1717 O LEU A 113 -2.911 -3.141 5.216 1.00 60.43 O ATOM 1718 CB LEU A 113 -4.095 -1.499 2.821 1.00 45.13 C ATOM 1719 CG LEU A 113 -5.391 -1.778 2.032 1.00 23.25 C ATOM 1720 CD1 LEU A 113 -6.088 -3.003 2.589 1.00 15.22 C ATOM 1721 CD2 LEU A 113 -6.342 -0.594 2.049 1.00 61.23 C ATOM 0 H LEU A 113 -4.156 0.685 3.928 1.00 5.12 H new ATOM 0 HA LEU A 113 -5.102 -1.915 4.682 1.00 64.51 H new ATOM 0 HB2 LEU A 113 -3.647 -0.586 2.428 1.00 45.13 H new ATOM 0 HB3 LEU A 113 -3.394 -2.310 2.622 1.00 45.13 H new ATOM 0 HG LEU A 113 -5.104 -1.955 0.995 1.00 23.25 H new ATOM 0 HD11 LEU A 113 -7.001 -3.190 2.024 1.00 15.22 H new ATOM 0 HD12 LEU A 113 -5.427 -3.866 2.507 1.00 15.22 H new ATOM 0 HD13 LEU A 113 -6.337 -2.835 3.637 1.00 15.22 H new ATOM 0 HD21 LEU A 113 -7.239 -0.840 1.480 1.00 61.23 H new ATOM 0 HD22 LEU A 113 -6.617 -0.363 3.078 1.00 61.23 H new ATOM 0 HD23 LEU A 113 -5.854 0.271 1.601 1.00 61.23 H new ATOM 1733 N ALA A 114 -2.117 -1.059 5.522 1.00 4.15 N ATOM 1734 CA ALA A 114 -1.007 -1.452 6.386 1.00 44.23 C ATOM 1735 C ALA A 114 -1.479 -1.815 7.806 1.00 32.04 C ATOM 1736 O ALA A 114 -0.934 -2.729 8.420 1.00 23.45 O ATOM 1737 CB ALA A 114 0.028 -0.341 6.426 1.00 72.12 C ATOM 0 H ALA A 114 -2.136 -0.064 5.299 1.00 4.15 H new ATOM 0 HA ALA A 114 -0.554 -2.351 5.967 1.00 44.23 H new ATOM 0 HB1 ALA A 114 0.855 -0.637 7.071 1.00 72.12 H new ATOM 0 HB2 ALA A 114 0.402 -0.156 5.419 1.00 72.12 H new ATOM 0 HB3 ALA A 114 -0.429 0.568 6.816 1.00 72.12 H new ATOM 1743 N GLN A 115 -2.507 -1.112 8.312 1.00 25.23 N ATOM 1744 CA GLN A 115 -3.111 -1.420 9.626 1.00 12.31 C ATOM 1745 C GLN A 115 -3.907 -2.724 9.563 1.00 73.31 C ATOM 1746 O GLN A 115 -3.944 -3.498 10.521 1.00 4.35 O ATOM 1747 CB GLN A 115 -4.049 -0.290 10.069 1.00 22.24 C ATOM 1748 CG GLN A 115 -3.356 1.042 10.259 1.00 21.14 C ATOM 1749 CD GLN A 115 -4.312 2.221 10.342 1.00 30.11 C ATOM 1750 OE1 GLN A 115 -5.432 2.112 10.838 1.00 64.34 O ATOM 1751 NE2 GLN A 115 -3.876 3.356 9.818 1.00 65.33 N ATOM 0 H GLN A 115 -2.940 -0.324 7.831 1.00 25.23 H new ATOM 0 HA GLN A 115 -2.299 -1.523 10.346 1.00 12.31 H new ATOM 0 HB2 GLN A 115 -4.839 -0.175 9.327 1.00 22.24 H new ATOM 0 HB3 GLN A 115 -4.529 -0.575 11.005 1.00 22.24 H new ATOM 0 HG2 GLN A 115 -2.759 1.004 11.170 1.00 21.14 H new ATOM 0 HG3 GLN A 115 -2.665 1.203 9.432 1.00 21.14 H new ATOM 0 HE21 GLN A 115 -2.940 3.406 9.416 1.00 65.33 H new ATOM 0 HE22 GLN A 115 -4.476 4.181 9.816 1.00 65.33 H new ATOM 1760 N LYS A 116 -4.517 -2.951 8.404 1.00 44.45 N ATOM 1761 CA LYS A 116 -5.309 -4.144 8.121 1.00 1.01 C ATOM 1762 C LYS A 116 -4.419 -5.370 7.904 1.00 33.23 C ATOM 1763 O LYS A 116 -4.865 -6.505 8.049 1.00 41.51 O ATOM 1764 CB LYS A 116 -6.206 -3.883 6.906 1.00 33.44 C ATOM 1765 CG LYS A 116 -7.210 -2.765 7.157 1.00 52.45 C ATOM 1766 CD LYS A 116 -8.000 -2.374 5.920 1.00 54.21 C ATOM 1767 CE LYS A 116 -8.925 -3.483 5.462 1.00 42.13 C ATOM 1768 NZ LYS A 116 -9.941 -2.976 4.510 1.00 25.51 N ATOM 0 H LYS A 116 -4.474 -2.299 7.621 1.00 44.45 H new ATOM 0 HA LYS A 116 -5.937 -4.362 8.985 1.00 1.01 H new ATOM 0 HB2 LYS A 116 -5.585 -3.625 6.048 1.00 33.44 H new ATOM 0 HB3 LYS A 116 -6.741 -4.797 6.649 1.00 33.44 H new ATOM 0 HG2 LYS A 116 -7.903 -3.078 7.938 1.00 52.45 H new ATOM 0 HG3 LYS A 116 -6.681 -1.889 7.533 1.00 52.45 H new ATOM 0 HD2 LYS A 116 -8.585 -1.479 6.131 1.00 54.21 H new ATOM 0 HD3 LYS A 116 -7.310 -2.121 5.114 1.00 54.21 H new ATOM 0 HE2 LYS A 116 -8.342 -4.274 4.989 1.00 42.13 H new ATOM 0 HE3 LYS A 116 -9.421 -3.926 6.326 1.00 42.13 H new ATOM 0 HZ1 LYS A 116 -10.560 -3.758 4.214 1.00 25.51 H new ATOM 0 HZ2 LYS A 116 -10.511 -2.238 4.971 1.00 25.51 H new ATOM 0 HZ3 LYS A 116 -9.466 -2.576 3.676 1.00 25.51 H new ATOM 1782 N ALA A 117 -3.176 -5.123 7.500 1.00 12.23 N ATOM 1783 CA ALA A 117 -2.185 -6.174 7.305 1.00 32.55 C ATOM 1784 C ALA A 117 -1.733 -6.786 8.628 1.00 61.45 C ATOM 1785 O ALA A 117 -1.592 -7.998 8.744 1.00 72.50 O ATOM 1786 CB ALA A 117 -0.995 -5.608 6.558 1.00 54.34 C ATOM 0 H ALA A 117 -2.828 -4.186 7.298 1.00 12.23 H new ATOM 0 HA ALA A 117 -2.647 -6.971 6.722 1.00 32.55 H new ATOM 0 HB1 ALA A 117 -0.252 -6.392 6.410 1.00 54.34 H new ATOM 0 HB2 ALA A 117 -1.320 -5.229 5.589 1.00 54.34 H new ATOM 0 HB3 ALA A 117 -0.555 -4.795 7.136 1.00 54.34 H new ATOM 1792 N LEU A 118 -1.558 -5.945 9.640 1.00 42.13 N ATOM 1793 CA LEU A 118 -1.009 -6.375 10.922 1.00 41.52 C ATOM 1794 C LEU A 118 -2.098 -6.522 11.988 1.00 5.23 C ATOM 1795 O LEU A 118 -1.802 -6.507 13.185 1.00 51.33 O ATOM 1796 CB LEU A 118 0.025 -5.352 11.379 1.00 61.42 C ATOM 1797 CG LEU A 118 1.199 -5.173 10.434 1.00 24.31 C ATOM 1798 CD1 LEU A 118 1.535 -3.712 10.326 1.00 63.51 C ATOM 1799 CD2 LEU A 118 2.398 -5.960 10.917 1.00 64.50 C ATOM 0 H LEU A 118 -1.790 -4.953 9.597 1.00 42.13 H new ATOM 0 HA LEU A 118 -0.548 -7.354 10.790 1.00 41.52 H new ATOM 0 HB2 LEU A 118 -0.469 -4.389 11.510 1.00 61.42 H new ATOM 0 HB3 LEU A 118 0.405 -5.651 12.356 1.00 61.42 H new ATOM 0 HG LEU A 118 0.925 -5.551 9.449 1.00 24.31 H new ATOM 0 HD11 LEU A 118 2.378 -3.582 9.648 1.00 63.51 H new ATOM 0 HD12 LEU A 118 0.672 -3.168 9.942 1.00 63.51 H new ATOM 0 HD13 LEU A 118 1.798 -3.326 11.311 1.00 63.51 H new ATOM 0 HD21 LEU A 118 3.229 -5.818 10.226 1.00 64.50 H new ATOM 0 HD22 LEU A 118 2.687 -5.611 11.908 1.00 64.50 H new ATOM 0 HD23 LEU A 118 2.143 -7.019 10.965 1.00 64.50 H new ATOM 1811 N LYS A 119 -3.348 -6.689 11.545 1.00 63.42 N ATOM 1812 CA LYS A 119 -4.500 -6.782 12.455 1.00 62.44 C ATOM 1813 C LYS A 119 -4.482 -8.068 13.305 1.00 1.54 C ATOM 1814 O LYS A 119 -4.809 -8.029 14.490 1.00 73.10 O ATOM 1815 CB LYS A 119 -5.833 -6.651 11.689 1.00 73.12 C ATOM 1816 CG LYS A 119 -6.114 -7.758 10.671 1.00 15.25 C ATOM 1817 CD LYS A 119 -7.586 -7.839 10.290 1.00 75.53 C ATOM 1818 CE LYS A 119 -8.067 -6.585 9.580 1.00 51.00 C ATOM 1819 NZ LYS A 119 -9.537 -6.588 9.394 1.00 52.21 N ATOM 0 H LYS A 119 -3.591 -6.763 10.557 1.00 63.42 H new ATOM 0 HA LYS A 119 -4.415 -5.942 13.145 1.00 62.44 H new ATOM 0 HB2 LYS A 119 -6.648 -6.630 12.412 1.00 73.12 H new ATOM 0 HB3 LYS A 119 -5.842 -5.692 11.170 1.00 73.12 H new ATOM 0 HG2 LYS A 119 -5.519 -7.583 9.775 1.00 15.25 H new ATOM 0 HG3 LYS A 119 -5.795 -8.716 11.083 1.00 15.25 H new ATOM 0 HD2 LYS A 119 -7.745 -8.703 9.645 1.00 75.53 H new ATOM 0 HD3 LYS A 119 -8.183 -7.997 11.188 1.00 75.53 H new ATOM 0 HE2 LYS A 119 -7.775 -5.707 10.156 1.00 51.00 H new ATOM 0 HE3 LYS A 119 -7.578 -6.507 8.609 1.00 51.00 H new ATOM 0 HZ1 LYS A 119 -9.827 -5.716 8.906 1.00 52.21 H new ATOM 0 HZ2 LYS A 119 -9.813 -7.412 8.823 1.00 52.21 H new ATOM 0 HZ3 LYS A 119 -10.004 -6.637 10.322 1.00 52.21 H new ATOM 1833 N ASP A 120 -4.085 -9.191 12.706 1.00 23.34 N ATOM 1834 CA ASP A 120 -3.971 -10.455 13.437 1.00 63.34 C ATOM 1835 C ASP A 120 -2.583 -10.595 14.040 1.00 34.23 C ATOM 1836 O ASP A 120 -2.399 -11.305 15.029 1.00 20.04 O ATOM 1837 CB ASP A 120 -4.236 -11.655 12.521 1.00 25.02 C ATOM 1838 CG ASP A 120 -5.631 -11.665 11.941 1.00 1.45 C ATOM 1839 OD1 ASP A 120 -6.543 -12.229 12.576 1.00 34.35 O ATOM 1840 OD2 ASP A 120 -5.814 -11.125 10.835 1.00 30.25 O ATOM 0 H ASP A 120 -3.837 -9.252 11.718 1.00 23.34 H new ATOM 0 HA ASP A 120 -4.720 -10.441 14.229 1.00 63.34 H new ATOM 0 HB2 ASP A 120 -3.511 -11.649 11.707 1.00 25.02 H new ATOM 0 HB3 ASP A 120 -4.077 -12.575 13.083 1.00 25.02 H new ATOM 1845 N ALA A 121 -1.623 -9.885 13.410 1.00 32.35 N ATOM 1846 CA ALA A 121 -0.182 -9.912 13.724 1.00 41.42 C ATOM 1847 C ALA A 121 0.456 -11.325 13.746 1.00 34.33 C ATOM 1848 O ALA A 121 1.555 -11.503 14.281 1.00 41.43 O ATOM 1849 CB ALA A 121 0.086 -9.159 15.020 1.00 55.23 C ATOM 0 H ALA A 121 -1.841 -9.253 12.639 1.00 32.35 H new ATOM 0 HA ALA A 121 0.313 -9.406 12.895 1.00 41.42 H new ATOM 0 HB1 ALA A 121 1.153 -9.185 15.242 1.00 55.23 H new ATOM 0 HB2 ALA A 121 -0.237 -8.123 14.913 1.00 55.23 H new ATOM 0 HB3 ALA A 121 -0.466 -9.628 15.834 1.00 55.23 H new ATOM 1855 N GLU A 122 -0.214 -12.309 13.117 1.00 34.34 N ATOM 1856 CA GLU A 122 0.301 -13.678 12.994 1.00 52.52 C ATOM 1857 C GLU A 122 0.005 -14.250 11.594 1.00 15.41 C ATOM 1858 O GLU A 122 0.016 -15.465 11.384 1.00 2.25 O ATOM 1859 CB GLU A 122 -0.301 -14.582 14.081 1.00 4.21 C ATOM 1860 CG GLU A 122 0.253 -14.317 15.476 1.00 62.44 C ATOM 1861 CD GLU A 122 -0.341 -15.212 16.537 1.00 20.43 C ATOM 1862 OE1 GLU A 122 -1.462 -14.935 16.999 1.00 61.14 O ATOM 1863 OE2 GLU A 122 0.321 -16.196 16.925 1.00 62.11 O ATOM 0 H GLU A 122 -1.126 -12.173 12.682 1.00 34.34 H new ATOM 0 HA GLU A 122 1.382 -13.647 13.130 1.00 52.52 H new ATOM 0 HB2 GLU A 122 -1.382 -14.445 14.097 1.00 4.21 H new ATOM 0 HB3 GLU A 122 -0.116 -15.624 13.818 1.00 4.21 H new ATOM 0 HG2 GLU A 122 1.335 -14.452 15.461 1.00 62.44 H new ATOM 0 HG3 GLU A 122 0.065 -13.277 15.742 1.00 62.44 H new ATOM 1870 N LYS A 123 -0.244 -13.353 10.640 1.00 25.24 N ATOM 1871 CA LYS A 123 -0.487 -13.722 9.240 1.00 13.04 C ATOM 1872 C LYS A 123 0.840 -14.058 8.538 1.00 42.44 C ATOM 1873 O LYS A 123 1.805 -13.301 8.625 1.00 14.13 O ATOM 1874 CB LYS A 123 -1.191 -12.563 8.520 1.00 15.35 C ATOM 1875 CG LYS A 123 -2.544 -12.191 9.130 1.00 32.21 C ATOM 1876 CD LYS A 123 -3.091 -10.868 8.598 1.00 44.13 C ATOM 1877 CE LYS A 123 -3.424 -10.915 7.111 1.00 52.21 C ATOM 1878 NZ LYS A 123 -4.502 -11.890 6.800 1.00 4.04 N ATOM 0 H LYS A 123 -0.284 -12.349 10.813 1.00 25.24 H new ATOM 0 HA LYS A 123 -1.125 -14.605 9.208 1.00 13.04 H new ATOM 0 HB2 LYS A 123 -0.541 -11.688 8.538 1.00 15.35 H new ATOM 0 HB3 LYS A 123 -1.336 -12.831 7.474 1.00 15.35 H new ATOM 0 HG2 LYS A 123 -3.261 -12.985 8.922 1.00 32.21 H new ATOM 0 HG3 LYS A 123 -2.444 -12.128 10.214 1.00 32.21 H new ATOM 0 HD2 LYS A 123 -3.988 -10.601 9.157 1.00 44.13 H new ATOM 0 HD3 LYS A 123 -2.358 -10.081 8.776 1.00 44.13 H new ATOM 0 HE2 LYS A 123 -3.729 -9.923 6.779 1.00 52.21 H new ATOM 0 HE3 LYS A 123 -2.528 -11.178 6.549 1.00 52.21 H new ATOM 0 HZ1 LYS A 123 -4.797 -11.777 5.809 1.00 4.04 H new ATOM 0 HZ2 LYS A 123 -4.149 -12.857 6.948 1.00 4.04 H new ATOM 0 HZ3 LYS A 123 -5.316 -11.719 7.425 1.00 4.04 H new ATOM 1892 N LEU A 124 0.894 -15.198 7.858 1.00 60.54 N ATOM 1893 CA LEU A 124 2.138 -15.663 7.251 1.00 50.41 C ATOM 1894 C LEU A 124 2.025 -15.745 5.728 1.00 61.45 C ATOM 1895 O LEU A 124 1.422 -16.671 5.175 1.00 70.13 O ATOM 1896 CB LEU A 124 2.544 -17.029 7.826 1.00 15.31 C ATOM 1897 CG LEU A 124 2.786 -17.087 9.343 1.00 21.42 C ATOM 1898 CD1 LEU A 124 3.062 -18.518 9.770 1.00 30.54 C ATOM 1899 CD2 LEU A 124 3.947 -16.186 9.751 1.00 4.23 C ATOM 0 H LEU A 124 0.095 -15.816 7.713 1.00 60.54 H new ATOM 0 HA LEU A 124 2.911 -14.934 7.492 1.00 50.41 H new ATOM 0 HB2 LEU A 124 1.765 -17.750 7.576 1.00 15.31 H new ATOM 0 HB3 LEU A 124 3.454 -17.355 7.322 1.00 15.31 H new ATOM 0 HG LEU A 124 1.887 -16.728 9.844 1.00 21.42 H new ATOM 0 HD11 LEU A 124 3.232 -18.550 10.846 1.00 30.54 H new ATOM 0 HD12 LEU A 124 2.206 -19.144 9.519 1.00 30.54 H new ATOM 0 HD13 LEU A 124 3.946 -18.888 9.251 1.00 30.54 H new ATOM 0 HD21 LEU A 124 4.094 -16.248 10.829 1.00 4.23 H new ATOM 0 HD22 LEU A 124 4.855 -16.509 9.242 1.00 4.23 H new ATOM 0 HD23 LEU A 124 3.723 -15.156 9.474 1.00 4.23 H new ATOM 1911 N GLU A 125 2.587 -14.743 5.072 1.00 73.11 N ATOM 1912 CA GLU A 125 2.685 -14.698 3.617 1.00 13.11 C ATOM 1913 C GLU A 125 4.164 -14.857 3.220 1.00 54.20 C ATOM 1914 O GLU A 125 5.050 -14.726 4.068 1.00 73.03 O ATOM 1915 CB GLU A 125 2.085 -13.353 3.120 1.00 75.11 C ATOM 1916 CG GLU A 125 2.025 -13.151 1.603 1.00 61.50 C ATOM 1917 CD GLU A 125 1.228 -14.220 0.871 1.00 61.13 C ATOM 1918 OE1 GLU A 125 0.009 -14.054 0.711 1.00 14.15 O ATOM 1919 OE2 GLU A 125 1.829 -15.228 0.439 1.00 13.55 O ATOM 0 H GLU A 125 2.992 -13.930 5.536 1.00 73.11 H new ATOM 0 HA GLU A 125 2.123 -15.508 3.152 1.00 13.11 H new ATOM 0 HB2 GLU A 125 1.074 -13.263 3.516 1.00 75.11 H new ATOM 0 HB3 GLU A 125 2.669 -12.539 3.550 1.00 75.11 H new ATOM 0 HG2 GLU A 125 1.585 -12.176 1.393 1.00 61.50 H new ATOM 0 HG3 GLU A 125 3.041 -13.134 1.208 1.00 61.50 H new ATOM 1926 N HIS A 126 4.408 -15.194 1.952 1.00 31.33 N ATOM 1927 CA HIS A 126 5.743 -15.222 1.359 1.00 14.33 C ATOM 1928 C HIS A 126 6.421 -13.844 1.479 1.00 3.44 C ATOM 1929 O HIS A 126 5.830 -12.819 1.118 1.00 63.14 O ATOM 1930 CB HIS A 126 5.609 -15.661 -0.124 1.00 43.35 C ATOM 1931 CG HIS A 126 6.837 -15.490 -0.985 1.00 33.50 C ATOM 1932 ND1 HIS A 126 6.898 -14.581 -2.019 1.00 21.02 N ATOM 1933 CD2 HIS A 126 8.039 -16.111 -0.965 1.00 42.44 C ATOM 1934 CE1 HIS A 126 8.080 -14.649 -2.597 1.00 61.00 C ATOM 1935 NE2 HIS A 126 8.792 -15.568 -1.977 1.00 34.24 N ATOM 0 H HIS A 126 3.670 -15.459 1.299 1.00 31.33 H new ATOM 0 HA HIS A 126 6.375 -15.934 1.891 1.00 14.33 H new ATOM 0 HB2 HIS A 126 5.320 -16.712 -0.145 1.00 43.35 H new ATOM 0 HB3 HIS A 126 4.793 -15.097 -0.576 1.00 43.35 H new ATOM 0 HD2 HIS A 126 8.348 -16.888 -0.281 1.00 42.44 H new ATOM 0 HE1 HIS A 126 8.409 -14.053 -3.436 1.00 61.00 H new ATOM 0 HE2 HIS A 126 9.749 -15.833 -2.211 1.00 34.24 H new ATOM 1944 N HIS A 127 7.649 -13.862 2.011 1.00 32.21 N ATOM 1945 CA HIS A 127 8.496 -12.671 2.120 1.00 73.13 C ATOM 1946 C HIS A 127 8.821 -12.093 0.755 1.00 64.21 C ATOM 1947 O HIS A 127 9.361 -12.784 -0.112 1.00 54.02 O ATOM 1948 CB HIS A 127 9.809 -12.990 2.852 1.00 2.24 C ATOM 1949 CG HIS A 127 9.724 -12.905 4.346 1.00 51.35 C ATOM 1950 ND1 HIS A 127 9.983 -11.749 5.037 1.00 40.43 N ATOM 1951 CD2 HIS A 127 9.417 -13.833 5.277 1.00 74.11 C ATOM 1952 CE1 HIS A 127 9.841 -11.967 6.332 1.00 13.32 C ATOM 1953 NE2 HIS A 127 9.497 -13.223 6.507 1.00 31.12 N ATOM 0 H HIS A 127 8.084 -14.708 2.379 1.00 32.21 H new ATOM 0 HA HIS A 127 7.931 -11.935 2.693 1.00 73.13 H new ATOM 0 HB2 HIS A 127 10.130 -13.994 2.576 1.00 2.24 H new ATOM 0 HB3 HIS A 127 10.580 -12.302 2.505 1.00 2.24 H new ATOM 0 HD2 HIS A 127 9.157 -14.864 5.090 1.00 74.11 H new ATOM 0 HE1 HIS A 127 9.984 -11.236 7.115 1.00 13.32 H new ATOM 0 HE2 HIS A 127 9.319 -13.671 7.406 1.00 31.12 H new ATOM 1962 N HIS A 128 8.455 -10.838 0.562 1.00 61.22 N ATOM 1963 CA HIS A 128 8.813 -10.126 -0.644 1.00 73.02 C ATOM 1964 C HIS A 128 9.652 -8.919 -0.245 1.00 44.21 C ATOM 1965 O HIS A 128 9.132 -7.824 -0.017 1.00 60.52 O ATOM 1966 CB HIS A 128 7.557 -9.724 -1.442 1.00 43.04 C ATOM 1967 CG HIS A 128 7.789 -9.550 -2.921 1.00 62.31 C ATOM 1968 ND1 HIS A 128 7.064 -8.673 -3.697 1.00 23.21 N ATOM 1969 CD2 HIS A 128 8.639 -10.173 -3.766 1.00 34.01 C ATOM 1970 CE1 HIS A 128 7.454 -8.766 -4.952 1.00 10.51 C ATOM 1971 NE2 HIS A 128 8.409 -9.668 -5.023 1.00 75.44 N ATOM 0 H HIS A 128 7.909 -10.293 1.229 1.00 61.22 H new ATOM 0 HA HIS A 128 9.397 -10.766 -1.305 1.00 73.02 H new ATOM 0 HB2 HIS A 128 6.789 -10.483 -1.294 1.00 43.04 H new ATOM 0 HB3 HIS A 128 7.166 -8.791 -1.036 1.00 43.04 H new ATOM 0 HD1 HIS A 128 6.336 -8.047 -3.353 1.00 23.21 H new ATOM 0 HD2 HIS A 128 9.365 -10.928 -3.502 1.00 34.01 H new ATOM 0 HE1 HIS A 128 7.057 -8.199 -5.781 1.00 10.51 H new ATOM 1980 N HIS A 129 10.950 -9.168 -0.093 1.00 74.13 N ATOM 1981 CA HIS A 129 11.902 -8.159 0.348 1.00 52.31 C ATOM 1982 C HIS A 129 12.263 -7.248 -0.818 1.00 30.40 C ATOM 1983 O HIS A 129 13.005 -7.638 -1.725 1.00 74.05 O ATOM 1984 CB HIS A 129 13.155 -8.842 0.943 1.00 72.53 C ATOM 1985 CG HIS A 129 14.183 -7.908 1.535 1.00 11.21 C ATOM 1986 ND1 HIS A 129 14.165 -7.501 2.844 1.00 55.53 N ATOM 1987 CD2 HIS A 129 15.274 -7.330 0.987 1.00 42.04 C ATOM 1988 CE1 HIS A 129 15.193 -6.715 3.083 1.00 22.22 C ATOM 1989 NE2 HIS A 129 15.884 -6.596 1.971 1.00 35.03 N ATOM 0 H HIS A 129 11.370 -10.080 -0.274 1.00 74.13 H new ATOM 0 HA HIS A 129 11.453 -7.546 1.129 1.00 52.31 H new ATOM 0 HB2 HIS A 129 12.835 -9.540 1.717 1.00 72.53 H new ATOM 0 HB3 HIS A 129 13.633 -9.431 0.160 1.00 72.53 H new ATOM 0 HD1 HIS A 129 13.460 -7.768 3.531 1.00 55.53 H new ATOM 0 HD2 HIS A 129 15.604 -7.428 -0.037 1.00 42.04 H new ATOM 0 HE1 HIS A 129 15.428 -6.249 4.028 1.00 22.22 H new ATOM 1998 N HIS A 130 11.705 -6.048 -0.788 1.00 11.41 N ATOM 1999 CA HIS A 130 12.014 -5.034 -1.778 1.00 3.33 C ATOM 2000 C HIS A 130 13.351 -4.359 -1.423 1.00 44.02 C ATOM 2001 O HIS A 130 14.323 -4.473 -2.170 1.00 41.22 O ATOM 2002 CB HIS A 130 10.857 -4.020 -1.869 1.00 44.45 C ATOM 2003 CG HIS A 130 11.021 -3.003 -2.958 1.00 31.24 C ATOM 2004 ND1 HIS A 130 11.246 -1.672 -2.706 1.00 21.34 N ATOM 2005 CD2 HIS A 130 11.042 -3.138 -4.304 1.00 14.45 C ATOM 2006 CE1 HIS A 130 11.411 -1.035 -3.840 1.00 0.40 C ATOM 2007 NE2 HIS A 130 11.289 -1.897 -4.827 1.00 73.41 N ATOM 0 H HIS A 130 11.031 -5.753 -0.082 1.00 11.41 H new ATOM 0 HA HIS A 130 12.124 -5.491 -2.761 1.00 3.33 H new ATOM 0 HB2 HIS A 130 9.925 -4.562 -2.029 1.00 44.45 H new ATOM 0 HB3 HIS A 130 10.765 -3.503 -0.914 1.00 44.45 H new ATOM 0 HD1 HIS A 130 11.280 -1.245 -1.780 1.00 21.34 H new ATOM 0 HD2 HIS A 130 10.892 -4.051 -4.860 1.00 14.45 H new ATOM 0 HE1 HIS A 130 11.613 0.021 -3.946 1.00 0.40 H new ATOM 2016 N HIS A 131 13.389 -3.680 -0.275 1.00 13.45 N ATOM 2017 CA HIS A 131 14.608 -3.037 0.210 1.00 13.11 C ATOM 2018 C HIS A 131 14.538 -2.861 1.726 1.00 73.42 C ATOM 2019 O HIS A 131 15.435 -3.290 2.446 1.00 51.15 O ATOM 2020 CB HIS A 131 14.815 -1.676 -0.478 1.00 30.23 C ATOM 2021 CG HIS A 131 16.169 -1.065 -0.245 1.00 51.35 C ATOM 2022 ND1 HIS A 131 16.351 0.150 0.378 1.00 42.12 N ATOM 2023 CD2 HIS A 131 17.407 -1.501 -0.581 1.00 21.20 C ATOM 2024 CE1 HIS A 131 17.638 0.438 0.414 1.00 53.32 C ATOM 2025 NE2 HIS A 131 18.298 -0.546 -0.160 1.00 33.22 N ATOM 0 H HIS A 131 12.583 -3.562 0.339 1.00 13.45 H new ATOM 0 HA HIS A 131 15.458 -3.675 -0.033 1.00 13.11 H new ATOM 0 HB2 HIS A 131 14.664 -1.797 -1.551 1.00 30.23 H new ATOM 0 HB3 HIS A 131 14.051 -0.983 -0.125 1.00 30.23 H new ATOM 0 HD2 HIS A 131 17.647 -2.426 -1.085 1.00 21.20 H new ATOM 0 HE1 HIS A 131 18.075 1.328 0.841 1.00 53.32 H new ATOM 0 HE2 HIS A 131 19.311 -0.591 -0.274 1.00 33.22 H new TER 2034 HIS A 131