USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 93 HIS : no HD1:sc= -2.17! K(o=-4.3!,f=-1.8) USER MOD Set 1.2: A 94 ASN : amide:sc= -2.14 K(o=-4.3,f=-1.4) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -1.44 K(o=-9.6,f=-7.4) USER MOD Set 2.2: A 87 HIS : no HE2:sc= -8.14! C(o=-9.6!,f=-7.4!) USER MOD Set 3.1: A 47 SER OG : rot 83:sc= -2.59! USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0.454 K(o=-2.1,f=-3.3) USER MOD Single : A 5 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.33) USER MOD Single : A 6 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -173:sc= -7.35! USER MOD Single : A 12 ASN : amide:sc= -0.876! C(o=-0.88!,f=-11!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0463 USER MOD Single : A 17 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.023) USER MOD Single : A 19 ASN : amide:sc= -2.5! C(o=-2.5!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.95! K(o=-2!,f=-0.07) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -92:sc= -0.0741! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 175:sc= -7.59! USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= -1.23 (180deg=-1.24) USER MOD Single : A 57 CYS SG : rot 160:sc= -0.49 USER MOD Single : A 60 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.36) USER MOD Single : A 77 SER OG : rot -26:sc= -0.406 USER MOD Single : A 79 LYS NZ :NH3+ -113:sc= -2.24! (180deg=-4.77!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.625 K(o=-0.62,f=-5.1!) USER MOD Single : A 88 THR OG1 : rot -14:sc= -0.717! USER MOD Single : A 89 SER OG : rot 180:sc= -0.0053 USER MOD Single : A 92 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.17) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -4.34! C(o=-4.3!,f=-4.6!) USER MOD Single : A 100 THR OG1 : rot 150:sc= 0.176 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 92.390 -0.364 -14.607 1.00 0.00 N ATOM 31 CA LEU A 3 92.409 -0.353 -13.117 1.00 0.00 C ATOM 32 C LEU A 3 91.223 -1.192 -12.602 1.00 0.00 C ATOM 33 O LEU A 3 90.085 -0.865 -12.867 1.00 0.00 O ATOM 34 CB LEU A 3 92.259 1.090 -12.623 1.00 0.00 C ATOM 35 CG LEU A 3 93.447 1.931 -13.098 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.191 3.402 -12.768 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.726 1.474 -12.390 1.00 0.00 C ATOM 0 HA LEU A 3 93.348 -0.769 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.328 1.516 -12.997 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.203 1.107 -11.535 1.00 0.00 H new ATOM 0 HG LEU A 3 93.565 1.806 -14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.036 4.003 -13.105 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.284 3.736 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.071 3.518 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.567 2.077 -12.733 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.609 1.594 -11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.914 0.425 -12.619 1.00 0.00 H new ATOM 49 N PRO A 4 91.473 -2.256 -11.870 1.00 0.00 N ATOM 50 CA PRO A 4 90.379 -3.120 -11.331 1.00 0.00 C ATOM 51 C PRO A 4 89.424 -2.326 -10.435 1.00 0.00 C ATOM 52 O PRO A 4 88.367 -2.792 -10.064 1.00 0.00 O ATOM 53 CB PRO A 4 91.105 -4.194 -10.508 1.00 0.00 C ATOM 54 CG PRO A 4 92.523 -4.172 -10.969 1.00 0.00 C ATOM 55 CD PRO A 4 92.800 -2.758 -11.479 1.00 0.00 C ATOM 0 HA PRO A 4 89.768 -3.538 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 4 91.038 -3.981 -9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.658 -5.176 -10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.199 -4.428 -10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.684 -4.906 -11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.251 -2.136 -10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.489 -2.766 -12.324 1.00 0.00 H new ATOM 63 N HIS A 5 89.809 -1.135 -10.083 1.00 0.00 N ATOM 64 CA HIS A 5 88.958 -0.291 -9.201 1.00 0.00 C ATOM 65 C HIS A 5 87.672 0.119 -9.920 1.00 0.00 C ATOM 66 O HIS A 5 86.648 0.307 -9.302 1.00 0.00 O ATOM 67 CB HIS A 5 89.733 0.969 -8.840 1.00 0.00 C ATOM 68 CG HIS A 5 90.937 0.599 -8.024 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.831 0.135 -6.725 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.279 0.613 -8.312 1.00 0.00 C ATOM 71 CE1 HIS A 5 92.075 -0.111 -6.281 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.998 0.165 -7.209 1.00 0.00 N ATOM 0 H HIS A 5 90.687 -0.704 -10.372 1.00 0.00 H new ATOM 0 HA HIS A 5 88.699 -0.862 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.041 1.492 -9.746 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.096 1.652 -8.279 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.711 0.924 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.302 -0.486 -5.294 1.00 0.00 H new ATOM 0 HE2 HIS A 5 94.010 0.068 -7.126 1.00 0.00 H new ATOM 80 N HIS A 6 87.719 0.285 -11.212 1.00 0.00 N ATOM 81 CA HIS A 6 86.495 0.712 -11.952 1.00 0.00 C ATOM 82 C HIS A 6 85.402 -0.354 -11.824 1.00 0.00 C ATOM 83 O HIS A 6 84.246 -0.099 -12.091 1.00 0.00 O ATOM 84 CB HIS A 6 86.843 0.922 -13.425 1.00 0.00 C ATOM 85 CG HIS A 6 87.353 -0.365 -14.005 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.504 -1.509 -13.237 1.00 0.00 N ATOM 87 CD2 HIS A 6 87.763 -0.702 -15.269 1.00 0.00 C ATOM 88 CE1 HIS A 6 87.986 -2.474 -14.040 1.00 0.00 C ATOM 89 NE2 HIS A 6 88.164 -2.036 -15.289 1.00 0.00 N ATOM 0 H HIS A 6 88.549 0.144 -11.788 1.00 0.00 H new ATOM 0 HA HIS A 6 86.125 1.645 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 6 85.963 1.258 -13.974 1.00 0.00 H new ATOM 0 HB3 HIS A 6 87.597 1.703 -13.524 1.00 0.00 H new ATOM 0 HD2 HIS A 6 87.774 -0.036 -16.119 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.203 -3.481 -13.714 1.00 0.00 H new ATOM 0 HE2 HIS A 6 88.518 -2.565 -16.086 1.00 0.00 H new ATOM 97 N ASP A 7 85.754 -1.539 -11.404 1.00 0.00 N ATOM 98 CA ASP A 7 84.727 -2.602 -11.246 1.00 0.00 C ATOM 99 C ASP A 7 84.398 -2.737 -9.758 1.00 0.00 C ATOM 100 O ASP A 7 85.271 -2.899 -8.931 1.00 0.00 O ATOM 101 CB ASP A 7 85.259 -3.930 -11.781 1.00 0.00 C ATOM 102 CG ASP A 7 84.091 -4.889 -12.019 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.008 -4.413 -12.320 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.297 -6.086 -11.891 1.00 0.00 O ATOM 0 H ASP A 7 86.707 -1.814 -11.165 1.00 0.00 H new ATOM 0 HA ASP A 7 83.831 -2.338 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.805 -3.767 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.962 -4.365 -11.070 1.00 0.00 H new ATOM 109 N GLU A 8 83.148 -2.645 -9.412 1.00 0.00 N ATOM 110 CA GLU A 8 82.759 -2.733 -7.976 1.00 0.00 C ATOM 111 C GLU A 8 83.047 -4.133 -7.423 1.00 0.00 C ATOM 112 O GLU A 8 83.270 -4.307 -6.244 1.00 0.00 O ATOM 113 CB GLU A 8 81.268 -2.420 -7.849 1.00 0.00 C ATOM 114 CG GLU A 8 81.002 -1.009 -8.377 1.00 0.00 C ATOM 115 CD GLU A 8 80.499 -1.092 -9.821 1.00 0.00 C ATOM 116 OE1 GLU A 8 81.201 -1.662 -10.642 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.417 -0.591 -10.080 1.00 0.00 O ATOM 0 H GLU A 8 82.374 -2.512 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 8 83.342 -2.014 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.683 -3.148 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.956 -2.496 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.263 -0.508 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.914 -0.414 -8.332 1.00 0.00 H new ATOM 124 N LYS A 9 83.035 -5.128 -8.254 1.00 0.00 N ATOM 125 CA LYS A 9 83.296 -6.514 -7.773 1.00 0.00 C ATOM 126 C LYS A 9 84.705 -6.603 -7.206 1.00 0.00 C ATOM 127 O LYS A 9 84.955 -7.268 -6.220 1.00 0.00 O ATOM 128 CB LYS A 9 83.186 -7.491 -8.940 1.00 0.00 C ATOM 129 CG LYS A 9 81.720 -7.805 -9.247 1.00 0.00 C ATOM 130 CD LYS A 9 80.916 -6.513 -9.444 1.00 0.00 C ATOM 131 CE LYS A 9 81.433 -5.757 -10.675 1.00 0.00 C ATOM 132 NZ LYS A 9 80.296 -5.481 -11.595 1.00 0.00 N ATOM 0 H LYS A 9 82.855 -5.045 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 9 82.565 -6.763 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.665 -7.066 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.718 -8.412 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 9 81.655 -8.419 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 9 81.289 -8.386 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 9 79.859 -6.748 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 9 81.000 -5.883 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 9 81.905 -4.823 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 9 82.194 -6.347 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 80.642 -4.968 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 79.865 -6.379 -11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 79.585 -4.902 -11.104 1.00 0.00 H new ATOM 146 N THR A 10 85.627 -5.949 -7.837 1.00 0.00 N ATOM 147 CA THR A 10 87.030 -5.998 -7.364 1.00 0.00 C ATOM 148 C THR A 10 87.114 -5.478 -5.925 1.00 0.00 C ATOM 149 O THR A 10 87.920 -5.941 -5.145 1.00 0.00 O ATOM 150 CB THR A 10 87.896 -5.149 -8.299 1.00 0.00 C ATOM 151 OG1 THR A 10 87.286 -3.880 -8.482 1.00 0.00 O ATOM 152 CG2 THR A 10 88.037 -5.844 -9.656 1.00 0.00 C ATOM 0 H THR A 10 85.469 -5.377 -8.667 1.00 0.00 H new ATOM 0 HA THR A 10 87.392 -7.026 -7.374 1.00 0.00 H new ATOM 0 HB THR A 10 88.884 -5.024 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.780 -3.375 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.654 -5.234 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.506 -6.818 -9.519 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.051 -5.976 -10.102 1.00 0.00 H new ATOM 160 N TRP A 11 86.301 -4.525 -5.559 1.00 0.00 N ATOM 161 CA TRP A 11 86.378 -4.005 -4.161 1.00 0.00 C ATOM 162 C TRP A 11 85.025 -4.105 -3.442 1.00 0.00 C ATOM 163 O TRP A 11 84.974 -4.263 -2.239 1.00 0.00 O ATOM 164 CB TRP A 11 86.826 -2.543 -4.192 1.00 0.00 C ATOM 165 CG TRP A 11 86.464 -1.942 -5.509 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.110 -2.181 -6.667 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.398 -1.004 -5.820 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.489 -1.472 -7.682 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.430 -0.719 -7.204 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.410 -0.391 -5.038 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.511 0.161 -7.787 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.489 0.494 -5.617 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.535 0.768 -6.989 1.00 0.00 C ATOM 0 H TRP A 11 85.597 -4.089 -6.155 1.00 0.00 H new ATOM 0 HA TRP A 11 87.097 -4.614 -3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.350 -1.988 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.902 -2.477 -4.033 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.972 -2.821 -6.785 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.776 -1.501 -8.660 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.357 -0.602 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.555 0.370 -8.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.739 0.967 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.819 1.446 -7.430 1.00 0.00 H new ATOM 184 N ASN A 12 83.931 -3.989 -4.142 1.00 0.00 N ATOM 185 CA ASN A 12 82.607 -4.052 -3.448 1.00 0.00 C ATOM 186 C ASN A 12 82.119 -5.499 -3.335 1.00 0.00 C ATOM 187 O ASN A 12 82.098 -6.240 -4.299 1.00 0.00 O ATOM 188 CB ASN A 12 81.576 -3.235 -4.223 1.00 0.00 C ATOM 189 CG ASN A 12 80.339 -3.029 -3.345 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.793 -3.978 -2.818 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.875 -1.824 -3.159 1.00 0.00 N ATOM 0 H ASN A 12 83.892 -3.855 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 12 82.729 -3.641 -2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.998 -2.272 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.302 -3.751 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.054 -1.679 -2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 12 80.333 -1.027 -3.601 1.00 0.00 H new ATOM 198 N VAL A 13 81.713 -5.904 -2.156 1.00 0.00 N ATOM 199 CA VAL A 13 81.211 -7.298 -1.968 1.00 0.00 C ATOM 200 C VAL A 13 79.691 -7.274 -1.779 1.00 0.00 C ATOM 201 O VAL A 13 79.050 -8.306 -1.713 1.00 0.00 O ATOM 202 CB VAL A 13 81.853 -7.916 -0.725 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.369 -7.951 -0.896 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.493 -7.080 0.503 1.00 0.00 C ATOM 0 H VAL A 13 81.708 -5.327 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 13 81.467 -7.889 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 13 81.483 -8.932 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.825 -8.392 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.623 -8.550 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.744 -6.936 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.950 -7.520 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 81.862 -6.063 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 13 80.410 -7.060 0.625 1.00 0.00 H new ATOM 214 N GLY A 14 79.106 -6.112 -1.677 1.00 0.00 N ATOM 215 CA GLY A 14 77.630 -6.038 -1.481 1.00 0.00 C ATOM 216 C GLY A 14 77.323 -5.974 0.015 1.00 0.00 C ATOM 217 O GLY A 14 78.179 -5.663 0.820 1.00 0.00 O ATOM 0 H GLY A 14 79.585 -5.212 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.228 -5.159 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.148 -6.908 -1.926 1.00 0.00 H new ATOM 221 N SER A 15 76.112 -6.266 0.395 1.00 0.00 N ATOM 222 CA SER A 15 75.756 -6.220 1.840 1.00 0.00 C ATOM 223 C SER A 15 76.498 -7.328 2.582 1.00 0.00 C ATOM 224 O SER A 15 76.856 -8.341 2.013 1.00 0.00 O ATOM 225 CB SER A 15 74.252 -6.425 2.004 1.00 0.00 C ATOM 226 OG SER A 15 73.911 -7.731 1.558 1.00 0.00 O ATOM 0 H SER A 15 75.353 -6.534 -0.232 1.00 0.00 H new ATOM 0 HA SER A 15 76.039 -5.250 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.966 -6.297 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.705 -5.677 1.430 1.00 0.00 H new ATOM 0 HG SER A 15 72.947 -7.871 1.662 1.00 0.00 H new ATOM 232 N SER A 16 76.739 -7.139 3.846 1.00 0.00 N ATOM 233 CA SER A 16 77.466 -8.176 4.624 1.00 0.00 C ATOM 234 C SER A 16 77.267 -7.922 6.120 1.00 0.00 C ATOM 235 O SER A 16 77.097 -6.800 6.554 1.00 0.00 O ATOM 236 CB SER A 16 78.955 -8.089 4.279 1.00 0.00 C ATOM 237 OG SER A 16 79.675 -9.055 5.030 1.00 0.00 O ATOM 0 H SER A 16 76.464 -6.311 4.375 1.00 0.00 H new ATOM 0 HA SER A 16 77.085 -9.167 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.102 -8.259 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.331 -7.090 4.497 1.00 0.00 H new ATOM 0 HG SER A 16 80.628 -8.999 4.807 1.00 0.00 H new ATOM 243 N ASN A 17 77.293 -8.956 6.913 1.00 0.00 N ATOM 244 CA ASN A 17 77.115 -8.772 8.381 1.00 0.00 C ATOM 245 C ASN A 17 78.488 -8.512 8.995 1.00 0.00 C ATOM 246 O ASN A 17 78.651 -8.470 10.199 1.00 0.00 O ATOM 247 CB ASN A 17 76.499 -10.037 8.984 1.00 0.00 C ATOM 248 CG ASN A 17 75.102 -10.243 8.401 1.00 0.00 C ATOM 249 OD1 ASN A 17 74.594 -11.347 8.386 1.00 0.00 O ATOM 250 ND2 ASN A 17 74.452 -9.220 7.917 1.00 0.00 N ATOM 0 H ASN A 17 77.430 -9.920 6.609 1.00 0.00 H new ATOM 0 HA ASN A 17 76.451 -7.932 8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.127 -10.901 8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 17 76.444 -9.947 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 17 73.518 -9.347 7.527 1.00 0.00 H new ATOM 0 HD22 ASN A 17 74.878 -8.293 7.929 1.00 0.00 H new ATOM 257 N ARG A 18 79.472 -8.341 8.152 1.00 0.00 N ATOM 258 CA ARG A 18 80.866 -8.075 8.613 1.00 0.00 C ATOM 259 C ARG A 18 81.433 -9.298 9.335 1.00 0.00 C ATOM 260 O ARG A 18 82.504 -9.248 9.906 1.00 0.00 O ATOM 261 CB ARG A 18 80.902 -6.843 9.527 1.00 0.00 C ATOM 262 CG ARG A 18 80.718 -5.582 8.677 1.00 0.00 C ATOM 263 CD ARG A 18 81.910 -5.444 7.726 1.00 0.00 C ATOM 264 NE ARG A 18 81.567 -6.073 6.418 1.00 0.00 N ATOM 265 CZ ARG A 18 82.356 -5.918 5.388 1.00 0.00 C ATOM 266 NH1 ARG A 18 83.455 -5.227 5.513 1.00 0.00 N ATOM 267 NH2 ARG A 18 82.051 -6.462 4.242 1.00 0.00 N ATOM 0 H ARG A 18 79.364 -8.376 7.138 1.00 0.00 H new ATOM 0 HA ARG A 18 81.487 -7.874 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.114 -6.909 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.850 -6.800 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 18 79.789 -5.642 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 80.644 -4.703 9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 18 82.158 -4.392 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 18 82.790 -5.924 8.154 1.00 0.00 H new ATOM 0 HE ARG A 18 80.714 -6.626 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 18 83.696 -4.810 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 18 84.074 -5.104 4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 18 81.195 -7.009 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 18 82.668 -6.340 3.439 1.00 0.00 H new ATOM 281 N ASN A 19 80.744 -10.406 9.291 1.00 0.00 N ATOM 282 CA ASN A 19 81.277 -11.629 9.951 1.00 0.00 C ATOM 283 C ASN A 19 82.362 -12.225 9.052 1.00 0.00 C ATOM 284 O ASN A 19 83.490 -12.439 9.466 1.00 0.00 O ATOM 285 CB ASN A 19 80.144 -12.645 10.150 1.00 0.00 C ATOM 286 CG ASN A 19 79.659 -13.158 8.791 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.814 -12.492 7.787 1.00 0.00 O ATOM 288 ND2 ASN A 19 79.070 -14.320 8.717 1.00 0.00 N ATOM 0 H ASN A 19 79.841 -10.516 8.829 1.00 0.00 H new ATOM 0 HA ASN A 19 81.696 -11.380 10.926 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.494 -13.478 10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 19 79.318 -12.181 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.740 -14.668 7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.939 -14.880 9.559 1.00 0.00 H new ATOM 295 N LYS A 20 82.036 -12.465 7.814 1.00 0.00 N ATOM 296 CA LYS A 20 83.047 -13.015 6.879 1.00 0.00 C ATOM 297 C LYS A 20 84.090 -11.929 6.628 1.00 0.00 C ATOM 298 O LYS A 20 85.236 -12.204 6.327 1.00 0.00 O ATOM 299 CB LYS A 20 82.365 -13.410 5.566 1.00 0.00 C ATOM 300 CG LYS A 20 81.916 -12.152 4.822 1.00 0.00 C ATOM 301 CD LYS A 20 81.082 -12.551 3.599 1.00 0.00 C ATOM 302 CE LYS A 20 80.715 -11.298 2.802 1.00 0.00 C ATOM 303 NZ LYS A 20 80.310 -11.688 1.421 1.00 0.00 N ATOM 0 H LYS A 20 81.113 -12.303 7.412 1.00 0.00 H new ATOM 0 HA LYS A 20 83.524 -13.901 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 20 83.053 -13.985 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.507 -14.051 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.329 -11.515 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.784 -11.572 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 81.645 -13.242 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.178 -13.071 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 79.901 -10.766 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.565 -10.616 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.060 -10.836 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 81.099 -12.177 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.487 -12.323 1.467 1.00 0.00 H new ATOM 317 N ALA A 21 83.696 -10.688 6.768 1.00 0.00 N ATOM 318 CA ALA A 21 84.651 -9.567 6.557 1.00 0.00 C ATOM 319 C ALA A 21 85.846 -9.751 7.489 1.00 0.00 C ATOM 320 O ALA A 21 86.982 -9.627 7.083 1.00 0.00 O ATOM 321 CB ALA A 21 83.962 -8.240 6.878 1.00 0.00 C ATOM 0 H ALA A 21 82.749 -10.406 7.021 1.00 0.00 H new ATOM 0 HA ALA A 21 84.985 -9.560 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.663 -7.419 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.100 -8.110 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.631 -8.244 7.917 1.00 0.00 H new ATOM 327 N GLU A 22 85.608 -10.063 8.736 1.00 0.00 N ATOM 328 CA GLU A 22 86.751 -10.266 9.665 1.00 0.00 C ATOM 329 C GLU A 22 87.615 -11.395 9.106 1.00 0.00 C ATOM 330 O GLU A 22 88.820 -11.278 9.002 1.00 0.00 O ATOM 331 CB GLU A 22 86.227 -10.641 11.055 1.00 0.00 C ATOM 332 CG GLU A 22 85.570 -9.416 11.699 1.00 0.00 C ATOM 333 CD GLU A 22 86.639 -8.361 11.991 1.00 0.00 C ATOM 334 OE1 GLU A 22 87.805 -8.649 11.771 1.00 0.00 O ATOM 335 OE2 GLU A 22 86.276 -7.285 12.436 1.00 0.00 O ATOM 0 H GLU A 22 84.682 -10.184 9.145 1.00 0.00 H new ATOM 0 HA GLU A 22 87.339 -9.352 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.506 -11.455 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.045 -10.999 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.810 -9.005 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.065 -9.703 12.621 1.00 0.00 H new ATOM 342 N ASN A 23 87.000 -12.478 8.713 1.00 0.00 N ATOM 343 CA ASN A 23 87.774 -13.602 8.123 1.00 0.00 C ATOM 344 C ASN A 23 88.437 -13.114 6.834 1.00 0.00 C ATOM 345 O ASN A 23 89.589 -13.400 6.566 1.00 0.00 O ATOM 346 CB ASN A 23 86.826 -14.754 7.801 1.00 0.00 C ATOM 347 CG ASN A 23 86.353 -15.396 9.104 1.00 0.00 C ATOM 348 OD1 ASN A 23 85.386 -16.130 9.118 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.999 -15.143 10.209 1.00 0.00 N ATOM 0 H ASN A 23 85.993 -12.631 8.776 1.00 0.00 H new ATOM 0 HA ASN A 23 88.533 -13.945 8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.972 -14.389 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.331 -15.494 7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.692 -15.562 11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 23 87.811 -14.526 10.195 1.00 0.00 H new ATOM 356 N LEU A 24 87.715 -12.371 6.035 1.00 0.00 N ATOM 357 CA LEU A 24 88.298 -11.851 4.765 1.00 0.00 C ATOM 358 C LEU A 24 89.347 -10.790 5.083 1.00 0.00 C ATOM 359 O LEU A 24 90.303 -10.611 4.355 1.00 0.00 O ATOM 360 CB LEU A 24 87.198 -11.231 3.910 1.00 0.00 C ATOM 361 CG LEU A 24 86.282 -12.335 3.389 1.00 0.00 C ATOM 362 CD1 LEU A 24 85.140 -11.713 2.579 1.00 0.00 C ATOM 363 CD2 LEU A 24 87.094 -13.277 2.498 1.00 0.00 C ATOM 0 H LEU A 24 86.746 -12.103 6.209 1.00 0.00 H new ATOM 0 HA LEU A 24 88.762 -12.673 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.625 -10.514 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.635 -10.682 3.076 1.00 0.00 H new ATOM 0 HG LEU A 24 85.863 -12.893 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.486 -12.502 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.568 -11.038 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.552 -11.156 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.447 -14.069 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.509 -12.717 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.906 -13.716 3.078 1.00 0.00 H new ATOM 375 N LEU A 25 89.182 -10.086 6.168 1.00 0.00 N ATOM 376 CA LEU A 25 90.179 -9.044 6.531 1.00 0.00 C ATOM 377 C LEU A 25 91.252 -9.699 7.395 1.00 0.00 C ATOM 378 O LEU A 25 92.308 -9.147 7.624 1.00 0.00 O ATOM 379 CB LEU A 25 89.490 -7.939 7.337 1.00 0.00 C ATOM 380 CG LEU A 25 88.486 -7.195 6.452 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.389 -6.582 7.326 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.207 -6.072 5.704 1.00 0.00 C ATOM 0 H LEU A 25 88.402 -10.188 6.817 1.00 0.00 H new ATOM 0 HA LEU A 25 90.620 -8.612 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.979 -8.370 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.233 -7.242 7.724 1.00 0.00 H new ATOM 0 HG LEU A 25 88.044 -7.893 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.675 -6.053 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.875 -7.373 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.835 -5.884 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.495 -5.540 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.644 -5.378 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.996 -6.496 5.083 1.00 0.00 H new ATOM 394 N ARG A 26 90.981 -10.883 7.862 1.00 0.00 N ATOM 395 CA ARG A 26 91.968 -11.608 8.697 1.00 0.00 C ATOM 396 C ARG A 26 92.841 -12.478 7.796 1.00 0.00 C ATOM 397 O ARG A 26 92.370 -13.402 7.163 1.00 0.00 O ATOM 398 CB ARG A 26 91.226 -12.471 9.722 1.00 0.00 C ATOM 399 CG ARG A 26 90.835 -11.606 10.921 1.00 0.00 C ATOM 400 CD ARG A 26 89.818 -12.350 11.788 1.00 0.00 C ATOM 401 NE ARG A 26 89.522 -11.533 13.000 1.00 0.00 N ATOM 402 CZ ARG A 26 88.476 -11.796 13.735 1.00 0.00 C ATOM 403 NH1 ARG A 26 87.650 -12.748 13.388 1.00 0.00 N ATOM 404 NH2 ARG A 26 88.249 -11.099 14.815 1.00 0.00 N ATOM 0 H ARG A 26 90.107 -11.383 7.698 1.00 0.00 H new ATOM 0 HA ARG A 26 92.604 -10.900 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.337 -12.910 9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.859 -13.297 10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.720 -11.363 11.510 1.00 0.00 H new ATOM 0 HG3 ARG A 26 90.412 -10.662 10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 26 88.903 -12.531 11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.212 -13.324 12.078 1.00 0.00 H new ATOM 0 HE ARG A 26 90.141 -10.764 13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 26 87.822 -13.288 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 26 86.834 -12.950 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 26 88.888 -10.351 15.083 1.00 0.00 H new ATOM 0 HH22 ARG A 26 87.432 -11.303 15.391 1.00 0.00 H new ATOM 418 N GLY A 27 94.109 -12.185 7.728 1.00 0.00 N ATOM 419 CA GLY A 27 95.010 -12.988 6.861 1.00 0.00 C ATOM 420 C GLY A 27 95.302 -12.212 5.578 1.00 0.00 C ATOM 421 O GLY A 27 95.982 -12.691 4.692 1.00 0.00 O ATOM 0 H GLY A 27 94.559 -11.424 8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.940 -13.206 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.546 -13.945 6.623 1.00 0.00 H new ATOM 425 N LYS A 28 94.798 -11.012 5.471 1.00 0.00 N ATOM 426 CA LYS A 28 95.057 -10.206 4.250 1.00 0.00 C ATOM 427 C LYS A 28 96.156 -9.193 4.542 1.00 0.00 C ATOM 428 O LYS A 28 96.192 -8.572 5.586 1.00 0.00 O ATOM 429 CB LYS A 28 93.788 -9.468 3.825 1.00 0.00 C ATOM 430 CG LYS A 28 92.761 -10.471 3.296 1.00 0.00 C ATOM 431 CD LYS A 28 93.359 -11.246 2.119 1.00 0.00 C ATOM 432 CE LYS A 28 92.253 -11.563 1.108 1.00 0.00 C ATOM 433 NZ LYS A 28 92.793 -12.439 0.029 1.00 0.00 N ATOM 0 H LYS A 28 94.219 -10.558 6.177 1.00 0.00 H new ATOM 0 HA LYS A 28 95.367 -10.870 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.373 -8.921 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.024 -8.734 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.470 -11.161 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.858 -9.949 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 28 94.145 -10.659 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.820 -12.168 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.421 -12.058 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.864 -10.640 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.039 -12.652 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.573 -11.952 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.144 -13.326 0.445 1.00 0.00 H new ATOM 447 N ARG A 29 97.053 -9.029 3.622 1.00 0.00 N ATOM 448 CA ARG A 29 98.165 -8.063 3.818 1.00 0.00 C ATOM 449 C ARG A 29 97.620 -6.636 3.781 1.00 0.00 C ATOM 450 O ARG A 29 96.580 -6.373 3.210 1.00 0.00 O ATOM 451 CB ARG A 29 99.181 -8.246 2.691 1.00 0.00 C ATOM 452 CG ARG A 29 99.805 -9.637 2.791 1.00 0.00 C ATOM 453 CD ARG A 29 100.829 -9.810 1.674 1.00 0.00 C ATOM 454 NE ARG A 29 100.131 -9.864 0.360 1.00 0.00 N ATOM 455 CZ ARG A 29 100.807 -9.668 -0.739 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.082 -9.400 -0.681 1.00 0.00 N ATOM 457 NH2 ARG A 29 100.204 -9.726 -1.897 1.00 0.00 N ATOM 0 H ARG A 29 97.067 -9.527 2.732 1.00 0.00 H new ATOM 0 HA ARG A 29 98.640 -8.240 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.694 -8.123 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.956 -7.482 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.283 -9.765 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.032 -10.402 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 29 101.539 -8.983 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.402 -10.724 1.831 1.00 0.00 H new ATOM 0 HE ARG A 29 99.130 -10.053 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 29 102.551 -9.344 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 29 102.611 -9.247 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 29 99.205 -9.925 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 29 100.733 -9.573 -2.756 1.00 0.00 H new ATOM 471 N ASP A 30 98.316 -5.708 4.381 1.00 0.00 N ATOM 472 CA ASP A 30 97.835 -4.296 4.373 1.00 0.00 C ATOM 473 C ASP A 30 97.676 -3.828 2.929 1.00 0.00 C ATOM 474 O ASP A 30 98.463 -4.165 2.066 1.00 0.00 O ATOM 475 CB ASP A 30 98.844 -3.396 5.089 1.00 0.00 C ATOM 476 CG ASP A 30 98.341 -1.953 5.063 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.280 -1.730 4.504 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.024 -1.094 5.597 1.00 0.00 O ATOM 0 H ASP A 30 99.194 -5.866 4.875 1.00 0.00 H new ATOM 0 HA ASP A 30 96.877 -4.240 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.978 -3.728 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.817 -3.463 4.603 1.00 0.00 H new ATOM 483 N GLY A 31 96.660 -3.059 2.658 1.00 0.00 N ATOM 484 CA GLY A 31 96.448 -2.576 1.264 1.00 0.00 C ATOM 485 C GLY A 31 95.237 -3.285 0.665 1.00 0.00 C ATOM 486 O GLY A 31 94.558 -2.754 -0.190 1.00 0.00 O ATOM 0 H GLY A 31 95.968 -2.744 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.291 -1.497 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.334 -2.771 0.660 1.00 0.00 H new ATOM 490 N THR A 32 94.947 -4.475 1.114 1.00 0.00 N ATOM 491 CA THR A 32 93.769 -5.196 0.571 1.00 0.00 C ATOM 492 C THR A 32 92.517 -4.653 1.249 1.00 0.00 C ATOM 493 O THR A 32 92.391 -4.693 2.457 1.00 0.00 O ATOM 494 CB THR A 32 93.902 -6.693 0.860 1.00 0.00 C ATOM 495 OG1 THR A 32 95.118 -7.181 0.298 1.00 0.00 O ATOM 496 CG2 THR A 32 92.711 -7.432 0.248 1.00 0.00 C ATOM 0 H THR A 32 95.474 -4.975 1.830 1.00 0.00 H new ATOM 0 HA THR A 32 93.705 -5.049 -0.507 1.00 0.00 H new ATOM 0 HB THR A 32 93.916 -6.860 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.948 -7.518 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.801 -8.499 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.786 -7.056 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.696 -7.268 -0.829 1.00 0.00 H new ATOM 504 N PHE A 33 91.590 -4.124 0.496 1.00 0.00 N ATOM 505 CA PHE A 33 90.371 -3.568 1.142 1.00 0.00 C ATOM 506 C PHE A 33 89.116 -3.905 0.326 1.00 0.00 C ATOM 507 O PHE A 33 89.187 -4.478 -0.742 1.00 0.00 O ATOM 508 CB PHE A 33 90.516 -2.047 1.256 1.00 0.00 C ATOM 509 CG PHE A 33 89.698 -1.371 0.186 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.230 -1.151 -1.090 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.391 -0.977 0.477 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.444 -0.532 -2.071 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.615 -0.359 -0.504 1.00 0.00 C ATOM 514 CZ PHE A 33 88.139 -0.139 -1.773 1.00 0.00 C ATOM 0 H PHE A 33 91.624 -4.054 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 33 90.264 -4.011 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.188 -1.715 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.564 -1.765 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.241 -1.457 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 33 87.981 -1.150 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.848 -0.359 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.605 -0.051 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.534 0.338 -2.530 1.00 0.00 H new ATOM 524 N LEU A 34 87.965 -3.529 0.828 1.00 0.00 N ATOM 525 CA LEU A 34 86.697 -3.803 0.088 1.00 0.00 C ATOM 526 C LEU A 34 85.649 -2.730 0.415 1.00 0.00 C ATOM 527 O LEU A 34 85.749 -2.035 1.405 1.00 0.00 O ATOM 528 CB LEU A 34 86.160 -5.181 0.479 1.00 0.00 C ATOM 529 CG LEU A 34 85.886 -5.232 1.984 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.729 -6.194 2.266 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.136 -5.732 2.709 1.00 0.00 C ATOM 0 H LEU A 34 87.850 -3.044 1.718 1.00 0.00 H new ATOM 0 HA LEU A 34 86.902 -3.783 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.244 -5.393 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.881 -5.952 0.207 1.00 0.00 H new ATOM 0 HG LEU A 34 85.625 -4.234 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.537 -6.228 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.834 -5.849 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.991 -7.191 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.944 -5.769 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.390 -6.730 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.966 -5.054 2.512 1.00 0.00 H new ATOM 543 N VAL A 35 84.636 -2.605 -0.406 1.00 0.00 N ATOM 544 CA VAL A 35 83.570 -1.594 -0.141 1.00 0.00 C ATOM 545 C VAL A 35 82.311 -2.325 0.321 1.00 0.00 C ATOM 546 O VAL A 35 81.974 -3.377 -0.181 1.00 0.00 O ATOM 547 CB VAL A 35 83.268 -0.789 -1.414 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.981 0.017 -1.221 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.417 0.183 -1.681 1.00 0.00 C ATOM 0 H VAL A 35 84.502 -3.162 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 35 83.906 -0.901 0.631 1.00 0.00 H new ATOM 0 HB VAL A 35 83.152 -1.475 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.770 0.587 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.153 -0.662 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.103 0.701 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.206 0.756 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.522 0.863 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.343 -0.376 -1.814 1.00 0.00 H new ATOM 559 N ARG A 36 81.621 -1.783 1.285 1.00 0.00 N ATOM 560 CA ARG A 36 80.394 -2.454 1.790 1.00 0.00 C ATOM 561 C ARG A 36 79.524 -1.412 2.489 1.00 0.00 C ATOM 562 O ARG A 36 79.669 -0.226 2.260 1.00 0.00 O ATOM 563 CB ARG A 36 80.765 -3.587 2.765 1.00 0.00 C ATOM 564 CG ARG A 36 82.063 -3.264 3.524 1.00 0.00 C ATOM 565 CD ARG A 36 81.723 -2.654 4.881 1.00 0.00 C ATOM 566 NE ARG A 36 82.926 -1.964 5.422 1.00 0.00 N ATOM 567 CZ ARG A 36 82.813 -1.144 6.431 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.645 -0.942 6.977 1.00 0.00 N ATOM 569 NH2 ARG A 36 83.866 -0.529 6.891 1.00 0.00 N ATOM 0 H ARG A 36 81.855 -0.903 1.745 1.00 0.00 H new ATOM 0 HA ARG A 36 79.844 -2.895 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.953 -3.739 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 36 80.885 -4.520 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.653 -4.171 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 36 82.672 -2.571 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.899 -1.948 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.394 -3.431 5.571 1.00 0.00 H new ATOM 0 HE ARG A 36 83.841 -2.132 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.823 -1.425 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 36 81.555 -0.302 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 36 84.778 -0.689 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 36 83.778 0.112 7.680 1.00 0.00 H new ATOM 583 N GLU A 37 78.614 -1.819 3.332 1.00 0.00 N ATOM 584 CA GLU A 37 77.759 -0.811 4.007 1.00 0.00 C ATOM 585 C GLU A 37 78.290 -0.570 5.415 1.00 0.00 C ATOM 586 O GLU A 37 79.183 -1.249 5.876 1.00 0.00 O ATOM 587 CB GLU A 37 76.324 -1.339 4.084 1.00 0.00 C ATOM 588 CG GLU A 37 75.819 -1.637 2.672 1.00 0.00 C ATOM 589 CD GLU A 37 74.320 -1.945 2.709 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.759 -1.939 3.793 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.757 -2.181 1.652 1.00 0.00 O ATOM 0 H GLU A 37 78.430 -2.792 3.578 1.00 0.00 H new ATOM 0 HA GLU A 37 77.773 0.124 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.289 -2.242 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.679 -0.604 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.008 -0.783 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.363 -2.484 2.253 1.00 0.00 H new ATOM 677 N TYR A 44 77.497 4.088 4.006 1.00 0.00 N ATOM 678 CA TYR A 44 78.482 3.299 3.208 1.00 0.00 C ATOM 679 C TYR A 44 79.830 3.294 3.935 1.00 0.00 C ATOM 680 O TYR A 44 80.127 4.181 4.710 1.00 0.00 O ATOM 681 CB TYR A 44 78.637 3.932 1.820 1.00 0.00 C ATOM 682 CG TYR A 44 77.332 3.820 1.059 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.349 4.810 1.199 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.109 2.730 0.204 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.146 4.710 0.488 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.904 2.631 -0.505 1.00 0.00 C ATOM 687 CZ TYR A 44 74.924 3.621 -0.364 1.00 0.00 C ATOM 688 OH TYR A 44 73.738 3.525 -1.063 1.00 0.00 O ATOM 0 HA TYR A 44 78.130 2.274 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.924 4.979 1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.434 3.433 1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.519 5.650 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 44 77.866 1.968 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.390 5.473 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.731 1.790 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 44 73.745 2.711 -1.609 1.00 0.00 H new ATOM 698 N ALA A 45 80.645 2.297 3.709 1.00 0.00 N ATOM 699 CA ALA A 45 81.955 2.246 4.414 1.00 0.00 C ATOM 700 C ALA A 45 82.923 1.336 3.657 1.00 0.00 C ATOM 701 O ALA A 45 82.521 0.398 3.002 1.00 0.00 O ATOM 702 CB ALA A 45 81.734 1.680 5.819 1.00 0.00 C ATOM 0 H ALA A 45 80.460 1.523 3.071 1.00 0.00 H new ATOM 0 HA ALA A 45 82.377 3.249 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.686 1.637 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 45 81.044 2.323 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.314 0.677 5.745 1.00 0.00 H new ATOM 708 N CYS A 46 84.199 1.595 3.764 1.00 0.00 N ATOM 709 CA CYS A 46 85.195 0.729 3.077 1.00 0.00 C ATOM 710 C CYS A 46 86.007 0.003 4.146 1.00 0.00 C ATOM 711 O CYS A 46 86.596 0.619 5.014 1.00 0.00 O ATOM 712 CB CYS A 46 86.128 1.582 2.208 1.00 0.00 C ATOM 713 SG CYS A 46 85.154 2.440 0.950 1.00 0.00 S ATOM 0 H CYS A 46 84.593 2.370 4.298 1.00 0.00 H new ATOM 0 HA CYS A 46 84.686 0.012 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.661 2.304 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.880 0.951 1.734 1.00 0.00 H new ATOM 0 HG CYS A 46 85.923 3.246 0.281 1.00 0.00 H new ATOM 719 N SER A 47 86.043 -1.299 4.102 1.00 0.00 N ATOM 720 CA SER A 47 86.817 -2.046 5.129 1.00 0.00 C ATOM 721 C SER A 47 88.206 -2.336 4.588 1.00 0.00 C ATOM 722 O SER A 47 88.366 -2.809 3.480 1.00 0.00 O ATOM 723 CB SER A 47 86.112 -3.360 5.464 1.00 0.00 C ATOM 724 OG SER A 47 86.857 -4.052 6.458 1.00 0.00 O ATOM 0 H SER A 47 85.573 -1.875 3.404 1.00 0.00 H new ATOM 0 HA SER A 47 86.890 -1.445 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.101 -3.163 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.019 -3.975 4.569 1.00 0.00 H new ATOM 0 HG SER A 47 86.621 -3.706 7.344 1.00 0.00 H new ATOM 730 N VAL A 48 89.219 -2.047 5.350 1.00 0.00 N ATOM 731 CA VAL A 48 90.591 -2.301 4.854 1.00 0.00 C ATOM 732 C VAL A 48 91.435 -2.964 5.936 1.00 0.00 C ATOM 733 O VAL A 48 91.066 -3.024 7.092 1.00 0.00 O ATOM 734 CB VAL A 48 91.242 -0.979 4.460 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.563 -0.172 5.715 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.533 -1.246 3.681 1.00 0.00 C ATOM 0 H VAL A 48 89.156 -1.649 6.287 1.00 0.00 H new ATOM 0 HA VAL A 48 90.532 -2.963 3.990 1.00 0.00 H new ATOM 0 HB VAL A 48 90.553 -0.416 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.028 0.772 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.643 0.027 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.247 -0.738 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.993 -0.298 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.223 -1.815 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.303 -1.816 2.781 1.00 0.00 H new ATOM 746 N VAL A 49 92.577 -3.446 5.554 1.00 0.00 N ATOM 747 CA VAL A 49 93.494 -4.101 6.529 1.00 0.00 C ATOM 748 C VAL A 49 94.766 -3.267 6.638 1.00 0.00 C ATOM 749 O VAL A 49 95.322 -2.845 5.643 1.00 0.00 O ATOM 750 CB VAL A 49 93.850 -5.502 6.039 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.948 -6.095 6.922 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.613 -6.394 6.098 1.00 0.00 C ATOM 0 H VAL A 49 92.923 -3.416 4.595 1.00 0.00 H new ATOM 0 HA VAL A 49 93.008 -4.175 7.502 1.00 0.00 H new ATOM 0 HB VAL A 49 94.207 -5.442 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.199 -7.095 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.834 -5.461 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.596 -6.152 7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.869 -7.394 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.254 -6.450 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.832 -5.976 5.463 1.00 0.00 H new ATOM 762 N VAL A 50 95.234 -3.017 7.824 1.00 0.00 N ATOM 763 CA VAL A 50 96.469 -2.202 7.959 1.00 0.00 C ATOM 764 C VAL A 50 97.601 -3.066 8.503 1.00 0.00 C ATOM 765 O VAL A 50 97.380 -4.115 9.074 1.00 0.00 O ATOM 766 CB VAL A 50 96.203 -1.011 8.897 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.219 -0.984 10.046 1.00 0.00 C ATOM 768 CG2 VAL A 50 96.313 0.290 8.101 1.00 0.00 C ATOM 0 H VAL A 50 94.820 -3.338 8.699 1.00 0.00 H new ATOM 0 HA VAL A 50 96.761 -1.820 6.981 1.00 0.00 H new ATOM 0 HB VAL A 50 95.203 -1.115 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.011 -0.134 10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.143 -1.907 10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.226 -0.892 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.125 1.137 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 50 97.314 0.374 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 95.578 0.287 7.296 1.00 0.00 H new ATOM 778 N ASP A 51 98.809 -2.614 8.323 1.00 0.00 N ATOM 779 CA ASP A 51 99.991 -3.369 8.810 1.00 0.00 C ATOM 780 C ASP A 51 99.939 -3.496 10.332 1.00 0.00 C ATOM 781 O ASP A 51 100.860 -3.112 11.024 1.00 0.00 O ATOM 782 CB ASP A 51 101.252 -2.598 8.415 1.00 0.00 C ATOM 783 CG ASP A 51 101.501 -2.758 6.915 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.237 -3.834 6.403 1.00 0.00 O ATOM 785 OD2 ASP A 51 101.955 -1.805 6.306 1.00 0.00 O ATOM 0 H ASP A 51 99.029 -1.737 7.850 1.00 0.00 H new ATOM 0 HA ASP A 51 99.997 -4.366 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.139 -1.543 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.109 -2.969 8.978 1.00 0.00 H new ATOM 790 N GLY A 52 98.879 -4.037 10.864 1.00 0.00 N ATOM 791 CA GLY A 52 98.802 -4.181 12.341 1.00 0.00 C ATOM 792 C GLY A 52 97.366 -4.467 12.791 1.00 0.00 C ATOM 793 O GLY A 52 97.151 -5.213 13.725 1.00 0.00 O ATOM 0 H GLY A 52 98.071 -4.382 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.456 -4.990 12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.162 -3.269 12.818 1.00 0.00 H new ATOM 797 N GLU A 53 96.377 -3.883 12.162 1.00 0.00 N ATOM 798 CA GLU A 53 94.975 -4.148 12.614 1.00 0.00 C ATOM 799 C GLU A 53 93.981 -3.952 11.463 1.00 0.00 C ATOM 800 O GLU A 53 94.267 -3.300 10.479 1.00 0.00 O ATOM 801 CB GLU A 53 94.616 -3.193 13.758 1.00 0.00 C ATOM 802 CG GLU A 53 95.428 -3.547 15.006 1.00 0.00 C ATOM 803 CD GLU A 53 96.807 -2.887 14.928 1.00 0.00 C ATOM 804 OE1 GLU A 53 97.089 -2.265 13.916 1.00 0.00 O ATOM 805 OE2 GLU A 53 97.554 -3.009 15.884 1.00 0.00 O ATOM 0 H GLU A 53 96.474 -3.247 11.371 1.00 0.00 H new ATOM 0 HA GLU A 53 94.915 -5.181 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.819 -2.164 13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.550 -3.258 13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 94.903 -3.211 15.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 95.536 -4.629 15.087 1.00 0.00 H new ATOM 812 N VAL A 54 92.801 -4.506 11.600 1.00 0.00 N ATOM 813 CA VAL A 54 91.764 -4.354 10.541 1.00 0.00 C ATOM 814 C VAL A 54 90.900 -3.131 10.863 1.00 0.00 C ATOM 815 O VAL A 54 90.545 -2.900 12.002 1.00 0.00 O ATOM 816 CB VAL A 54 90.882 -5.603 10.505 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.764 -5.402 9.485 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.723 -6.817 10.100 1.00 0.00 C ATOM 0 H VAL A 54 92.513 -5.060 12.407 1.00 0.00 H new ATOM 0 HA VAL A 54 92.245 -4.224 9.571 1.00 0.00 H new ATOM 0 HB VAL A 54 90.454 -5.772 11.493 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.133 -6.291 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.162 -4.539 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.197 -5.233 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.092 -7.705 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.152 -6.649 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.525 -6.962 10.824 1.00 0.00 H new ATOM 828 N LYS A 55 90.560 -2.340 9.881 1.00 0.00 N ATOM 829 CA LYS A 55 89.728 -1.131 10.162 1.00 0.00 C ATOM 830 C LYS A 55 88.452 -1.135 9.314 1.00 0.00 C ATOM 831 O LYS A 55 88.301 -1.911 8.391 1.00 0.00 O ATOM 832 CB LYS A 55 90.534 0.126 9.842 1.00 0.00 C ATOM 833 CG LYS A 55 91.675 0.264 10.848 1.00 0.00 C ATOM 834 CD LYS A 55 92.948 -0.338 10.257 1.00 0.00 C ATOM 835 CE LYS A 55 94.090 -0.189 11.266 1.00 0.00 C ATOM 836 NZ LYS A 55 93.549 0.326 12.556 1.00 0.00 N ATOM 0 H LYS A 55 90.819 -2.475 8.904 1.00 0.00 H new ATOM 0 HA LYS A 55 89.449 -1.144 11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.932 0.068 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 55 89.890 1.005 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 55 91.835 1.314 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.418 -0.243 11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.791 -1.390 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.203 0.164 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.579 -1.150 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.846 0.494 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.318 0.395 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.132 1.267 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 92.819 -0.324 12.911 1.00 0.00 H new ATOM 850 N HIS A 56 87.539 -0.256 9.630 1.00 0.00 N ATOM 851 CA HIS A 56 86.264 -0.164 8.864 1.00 0.00 C ATOM 852 C HIS A 56 86.035 1.295 8.469 1.00 0.00 C ATOM 853 O HIS A 56 85.199 1.976 9.027 1.00 0.00 O ATOM 854 CB HIS A 56 85.099 -0.648 9.732 1.00 0.00 C ATOM 855 CG HIS A 56 85.275 -2.106 10.045 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.517 -3.048 9.059 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.237 -2.801 11.227 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.616 -4.247 9.661 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.451 -4.153 10.983 1.00 0.00 N ATOM 0 H HIS A 56 87.625 0.411 10.397 1.00 0.00 H new ATOM 0 HA HIS A 56 86.324 -0.789 7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.056 -0.070 10.655 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.154 -0.489 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.067 -2.364 12.200 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.806 -5.173 9.139 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.476 -4.910 11.666 1.00 0.00 H new ATOM 867 N CYS A 57 86.780 1.784 7.514 1.00 0.00 N ATOM 868 CA CYS A 57 86.615 3.205 7.097 1.00 0.00 C ATOM 869 C CYS A 57 85.141 3.483 6.826 1.00 0.00 C ATOM 870 O CYS A 57 84.399 2.612 6.423 1.00 0.00 O ATOM 871 CB CYS A 57 87.436 3.460 5.837 1.00 0.00 C ATOM 872 SG CYS A 57 89.186 3.212 6.209 1.00 0.00 S ATOM 0 H CYS A 57 87.494 1.262 7.006 1.00 0.00 H new ATOM 0 HA CYS A 57 86.963 3.867 7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.122 2.785 5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.268 4.476 5.478 1.00 0.00 H new ATOM 0 HG CYS A 57 89.839 3.005 5.104 1.00 0.00 H new ATOM 878 N VAL A 58 84.706 4.686 7.075 1.00 0.00 N ATOM 879 CA VAL A 58 83.270 5.006 6.868 1.00 0.00 C ATOM 880 C VAL A 58 83.072 6.054 5.775 1.00 0.00 C ATOM 881 O VAL A 58 83.728 7.075 5.741 1.00 0.00 O ATOM 882 CB VAL A 58 82.695 5.537 8.178 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.413 6.323 7.894 1.00 0.00 C ATOM 884 CG2 VAL A 58 82.380 4.361 9.103 1.00 0.00 C ATOM 0 H VAL A 58 85.282 5.458 7.412 1.00 0.00 H new ATOM 0 HA VAL A 58 82.759 4.096 6.554 1.00 0.00 H new ATOM 0 HB VAL A 58 83.421 6.194 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.003 6.702 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.638 7.159 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.683 5.669 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.969 4.735 10.040 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.653 3.706 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 58 83.294 3.802 9.305 1.00 0.00 H new ATOM 894 N ILE A 59 82.132 5.811 4.900 1.00 0.00 N ATOM 895 CA ILE A 59 81.828 6.785 3.821 1.00 0.00 C ATOM 896 C ILE A 59 80.388 7.265 4.014 1.00 0.00 C ATOM 897 O ILE A 59 79.507 6.486 4.335 1.00 0.00 O ATOM 898 CB ILE A 59 81.965 6.108 2.457 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.418 5.673 2.258 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.568 7.093 1.353 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.570 4.983 0.900 1.00 0.00 C ATOM 0 H ILE A 59 81.558 4.968 4.890 1.00 0.00 H new ATOM 0 HA ILE A 59 82.521 7.626 3.863 1.00 0.00 H new ATOM 0 HB ILE A 59 81.312 5.237 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 59 84.077 6.539 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.717 4.994 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.666 6.609 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.534 7.407 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.221 7.965 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.606 4.675 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 59 82.923 4.107 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.289 5.676 0.107 1.00 0.00 H new ATOM 913 N ASN A 60 80.127 8.529 3.830 1.00 0.00 N ATOM 914 CA ASN A 60 78.727 9.011 4.021 1.00 0.00 C ATOM 915 C ASN A 60 78.268 9.765 2.775 1.00 0.00 C ATOM 916 O ASN A 60 78.958 10.622 2.267 1.00 0.00 O ATOM 917 CB ASN A 60 78.649 9.927 5.244 1.00 0.00 C ATOM 918 CG ASN A 60 78.905 9.110 6.512 1.00 0.00 C ATOM 919 OD1 ASN A 60 79.247 9.658 7.542 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.753 7.814 6.485 1.00 0.00 N ATOM 0 H ASN A 60 80.807 9.240 3.560 1.00 0.00 H new ATOM 0 HA ASN A 60 78.074 8.153 4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.385 10.727 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.668 10.400 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.921 7.263 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.466 7.352 5.622 1.00 0.00 H new ATOM 1167 N SER A 77 82.653 11.510 -8.105 1.00 0.00 N ATOM 1168 CA SER A 77 81.769 10.309 -8.179 1.00 0.00 C ATOM 1169 C SER A 77 82.323 9.210 -7.268 1.00 0.00 C ATOM 1170 O SER A 77 83.471 9.242 -6.873 1.00 0.00 O ATOM 1171 CB SER A 77 81.707 9.802 -9.621 1.00 0.00 C ATOM 1172 OG SER A 77 83.005 9.400 -10.039 1.00 0.00 O ATOM 0 HA SER A 77 80.765 10.578 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.014 8.964 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.329 10.586 -10.277 1.00 0.00 H new ATOM 0 HG SER A 77 83.681 9.895 -9.530 1.00 0.00 H new ATOM 1178 N LEU A 78 81.520 8.238 -6.932 1.00 0.00 N ATOM 1179 CA LEU A 78 82.008 7.145 -6.043 1.00 0.00 C ATOM 1180 C LEU A 78 83.119 6.351 -6.743 1.00 0.00 C ATOM 1181 O LEU A 78 84.075 5.933 -6.121 1.00 0.00 O ATOM 1182 CB LEU A 78 80.848 6.213 -5.699 1.00 0.00 C ATOM 1183 CG LEU A 78 79.872 6.936 -4.769 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.598 6.104 -4.623 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.521 7.118 -3.393 1.00 0.00 C ATOM 0 H LEU A 78 80.549 8.153 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 78 82.409 7.581 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.336 5.901 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.223 5.310 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 78 79.624 7.911 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.902 6.618 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.137 5.970 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 78 78.846 5.129 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.827 7.633 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.767 6.142 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.431 7.709 -3.495 1.00 0.00 H new ATOM 1197 N LYS A 79 83.007 6.134 -8.028 1.00 0.00 N ATOM 1198 CA LYS A 79 84.067 5.362 -8.749 1.00 0.00 C ATOM 1199 C LYS A 79 85.409 6.076 -8.583 1.00 0.00 C ATOM 1200 O LYS A 79 86.420 5.467 -8.287 1.00 0.00 O ATOM 1201 CB LYS A 79 83.706 5.281 -10.237 1.00 0.00 C ATOM 1202 CG LYS A 79 84.744 4.441 -10.990 1.00 0.00 C ATOM 1203 CD LYS A 79 84.312 4.291 -12.452 1.00 0.00 C ATOM 1204 CE LYS A 79 82.987 3.535 -12.516 1.00 0.00 C ATOM 1205 NZ LYS A 79 81.863 4.502 -12.382 1.00 0.00 N ATOM 0 H LYS A 79 82.232 6.455 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 79 84.139 4.355 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 79 82.716 4.840 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 83.661 6.283 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 79 85.723 4.918 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 79 84.841 3.460 -10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 79 84.205 5.273 -12.913 1.00 0.00 H new ATOM 0 HD3 LYS A 79 85.076 3.755 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 79 82.908 2.996 -13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.940 2.792 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.366 4.335 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.237 5.473 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 81.200 4.375 -13.173 1.00 0.00 H new ATOM 1219 N GLU A 80 85.425 7.367 -8.755 1.00 0.00 N ATOM 1220 CA GLU A 80 86.696 8.127 -8.595 1.00 0.00 C ATOM 1221 C GLU A 80 87.127 8.082 -7.130 1.00 0.00 C ATOM 1222 O GLU A 80 88.298 8.146 -6.813 1.00 0.00 O ATOM 1223 CB GLU A 80 86.481 9.579 -9.024 1.00 0.00 C ATOM 1224 CG GLU A 80 86.165 9.616 -10.520 1.00 0.00 C ATOM 1225 CD GLU A 80 86.069 11.067 -10.990 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.893 11.862 -10.567 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.178 11.361 -11.769 1.00 0.00 O ATOM 0 H GLU A 80 84.611 7.931 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 80 87.472 7.680 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.663 10.022 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.372 10.170 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.941 9.093 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.227 9.097 -10.716 1.00 0.00 H new ATOM 1234 N LEU A 81 86.187 7.978 -6.232 1.00 0.00 N ATOM 1235 CA LEU A 81 86.534 7.939 -4.787 1.00 0.00 C ATOM 1236 C LEU A 81 87.471 6.755 -4.503 1.00 0.00 C ATOM 1237 O LEU A 81 88.443 6.886 -3.784 1.00 0.00 O ATOM 1238 CB LEU A 81 85.246 7.791 -3.973 1.00 0.00 C ATOM 1239 CG LEU A 81 85.563 7.856 -2.474 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.315 8.301 -1.707 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.002 6.477 -1.967 1.00 0.00 C ATOM 0 H LEU A 81 85.190 7.918 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 81 87.044 8.861 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.545 8.582 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.763 6.843 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 81 86.370 8.571 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.540 8.347 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.006 9.286 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.509 7.587 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.225 6.535 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.201 5.757 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.893 6.158 -2.507 1.00 0.00 H new ATOM 1253 N VAL A 82 87.198 5.601 -5.053 1.00 0.00 N ATOM 1254 CA VAL A 82 88.093 4.435 -4.791 1.00 0.00 C ATOM 1255 C VAL A 82 89.477 4.696 -5.404 1.00 0.00 C ATOM 1256 O VAL A 82 90.496 4.449 -4.785 1.00 0.00 O ATOM 1257 CB VAL A 82 87.492 3.170 -5.409 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.400 1.978 -5.105 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.105 2.921 -4.814 1.00 0.00 C ATOM 0 H VAL A 82 86.404 5.416 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 82 88.193 4.298 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 82 87.405 3.296 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.975 1.075 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.388 2.156 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.485 1.851 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.677 2.020 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.190 2.793 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.459 3.772 -5.029 1.00 0.00 H new ATOM 1269 N LEU A 83 89.524 5.194 -6.612 1.00 0.00 N ATOM 1270 CA LEU A 83 90.845 5.468 -7.256 1.00 0.00 C ATOM 1271 C LEU A 83 91.552 6.604 -6.512 1.00 0.00 C ATOM 1272 O LEU A 83 92.741 6.562 -6.277 1.00 0.00 O ATOM 1273 CB LEU A 83 90.638 5.894 -8.718 1.00 0.00 C ATOM 1274 CG LEU A 83 90.329 4.685 -9.617 1.00 0.00 C ATOM 1275 CD1 LEU A 83 91.397 3.606 -9.436 1.00 0.00 C ATOM 1276 CD2 LEU A 83 88.953 4.107 -9.268 1.00 0.00 C ATOM 0 H LEU A 83 88.708 5.423 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 83 91.449 4.561 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.820 6.612 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.533 6.400 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 83 90.327 5.016 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.167 2.755 -10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.372 4.011 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.414 3.282 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 83 88.744 3.252 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.946 3.788 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 83 88.189 4.870 -9.419 1.00 0.00 H new ATOM 1288 N HIS A 84 90.827 7.623 -6.158 1.00 0.00 N ATOM 1289 CA HIS A 84 91.437 8.785 -5.446 1.00 0.00 C ATOM 1290 C HIS A 84 92.061 8.342 -4.113 1.00 0.00 C ATOM 1291 O HIS A 84 93.099 8.829 -3.710 1.00 0.00 O ATOM 1292 CB HIS A 84 90.338 9.816 -5.167 1.00 0.00 C ATOM 1293 CG HIS A 84 90.949 11.085 -4.644 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.487 12.048 -5.483 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.122 11.561 -3.369 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.955 13.045 -4.710 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.760 12.797 -3.413 1.00 0.00 N ATOM 0 H HIS A 84 89.825 7.705 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 84 92.221 9.214 -6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.779 10.021 -6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.629 9.417 -4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 84 90.810 11.054 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.430 13.936 -5.092 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.022 13.387 -2.623 1.00 0.00 H new ATOM 1305 N TYR A 85 91.408 7.459 -3.414 1.00 0.00 N ATOM 1306 CA TYR A 85 91.919 7.006 -2.082 1.00 0.00 C ATOM 1307 C TYR A 85 93.172 6.124 -2.201 1.00 0.00 C ATOM 1308 O TYR A 85 93.949 6.024 -1.270 1.00 0.00 O ATOM 1309 CB TYR A 85 90.816 6.221 -1.373 1.00 0.00 C ATOM 1310 CG TYR A 85 89.820 7.173 -0.748 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.689 8.483 -1.229 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.026 6.741 0.322 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.770 9.354 -0.642 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.105 7.616 0.909 1.00 0.00 C ATOM 1315 CZ TYR A 85 87.976 8.923 0.428 1.00 0.00 C ATOM 1316 OH TYR A 85 87.068 9.784 1.006 1.00 0.00 O ATOM 0 H TYR A 85 90.533 7.025 -3.707 1.00 0.00 H new ATOM 0 HA TYR A 85 92.199 7.893 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.310 5.568 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.250 5.581 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.300 8.819 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.125 5.732 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.671 10.363 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.493 7.282 1.734 1.00 0.00 H new ATOM 0 HH TYR A 85 86.599 9.325 1.734 1.00 0.00 H new ATOM 1326 N GLN A 86 93.372 5.454 -3.300 1.00 0.00 N ATOM 1327 CA GLN A 86 94.574 4.572 -3.401 1.00 0.00 C ATOM 1328 C GLN A 86 95.857 5.402 -3.261 1.00 0.00 C ATOM 1329 O GLN A 86 96.861 4.919 -2.780 1.00 0.00 O ATOM 1330 CB GLN A 86 94.590 3.855 -4.750 1.00 0.00 C ATOM 1331 CG GLN A 86 95.129 4.797 -5.824 1.00 0.00 C ATOM 1332 CD GLN A 86 94.805 4.227 -7.204 1.00 0.00 C ATOM 1333 OE1 GLN A 86 93.672 3.895 -7.485 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.762 4.093 -8.079 1.00 0.00 N ATOM 0 H GLN A 86 92.768 5.475 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 86 94.527 3.837 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 86 95.211 2.961 -4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.584 3.527 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 86 94.685 5.786 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 86 96.206 4.917 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.714 4.373 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.559 3.709 -9.002 1.00 0.00 H new ATOM 1343 N HIS A 87 95.845 6.640 -3.678 1.00 0.00 N ATOM 1344 CA HIS A 87 97.082 7.463 -3.552 1.00 0.00 C ATOM 1345 C HIS A 87 97.043 8.229 -2.231 1.00 0.00 C ATOM 1346 O HIS A 87 97.988 8.900 -1.862 1.00 0.00 O ATOM 1347 CB HIS A 87 97.188 8.455 -4.713 1.00 0.00 C ATOM 1348 CG HIS A 87 96.261 9.613 -4.477 1.00 0.00 C ATOM 1349 ND1 HIS A 87 94.935 9.592 -4.875 1.00 0.00 N ATOM 1350 CD2 HIS A 87 96.458 10.841 -3.893 1.00 0.00 C ATOM 1351 CE1 HIS A 87 94.390 10.772 -4.529 1.00 0.00 C ATOM 1352 NE2 HIS A 87 95.276 11.570 -3.929 1.00 0.00 N ATOM 0 H HIS A 87 95.043 7.112 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 87 97.949 6.803 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 87 98.214 8.811 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.936 7.960 -5.651 1.00 0.00 H new ATOM 0 HD1 HIS A 87 94.458 8.822 -5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.390 11.187 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 87 93.361 11.041 -4.714 1.00 0.00 H new ATOM 1360 N THR A 88 95.954 8.144 -1.515 1.00 0.00 N ATOM 1361 CA THR A 88 95.851 8.872 -0.225 1.00 0.00 C ATOM 1362 C THR A 88 96.158 7.916 0.924 1.00 0.00 C ATOM 1363 O THR A 88 95.745 6.774 0.923 1.00 0.00 O ATOM 1364 CB THR A 88 94.427 9.391 -0.066 1.00 0.00 C ATOM 1365 OG1 THR A 88 93.544 8.290 0.047 1.00 0.00 O ATOM 1366 CG2 THR A 88 94.046 10.242 -1.279 1.00 0.00 C ATOM 0 H THR A 88 95.131 7.599 -1.772 1.00 0.00 H new ATOM 0 HA THR A 88 96.559 9.700 -0.213 1.00 0.00 H new ATOM 0 HB THR A 88 94.359 10.007 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.008 7.470 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 88 93.027 10.610 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 88 94.730 11.087 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 88 94.109 9.636 -2.183 1.00 0.00 H new ATOM 1374 N SER A 89 96.874 8.378 1.907 1.00 0.00 N ATOM 1375 CA SER A 89 97.203 7.500 3.062 1.00 0.00 C ATOM 1376 C SER A 89 96.226 7.775 4.205 1.00 0.00 C ATOM 1377 O SER A 89 96.051 8.902 4.627 1.00 0.00 O ATOM 1378 CB SER A 89 98.622 7.807 3.533 1.00 0.00 C ATOM 1379 OG SER A 89 98.935 6.984 4.649 1.00 0.00 O ATOM 0 H SER A 89 97.246 9.326 1.962 1.00 0.00 H new ATOM 0 HA SER A 89 97.128 6.455 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.332 7.630 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 89 98.707 8.859 3.807 1.00 0.00 H new ATOM 0 HG SER A 89 99.846 7.178 4.953 1.00 0.00 H new ATOM 1385 N LEU A 90 95.585 6.760 4.715 1.00 0.00 N ATOM 1386 CA LEU A 90 94.624 6.989 5.833 1.00 0.00 C ATOM 1387 C LEU A 90 95.384 7.443 7.089 1.00 0.00 C ATOM 1388 O LEU A 90 94.802 8.022 7.984 1.00 0.00 O ATOM 1389 CB LEU A 90 93.852 5.699 6.128 1.00 0.00 C ATOM 1390 CG LEU A 90 92.945 5.365 4.946 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.419 3.933 5.092 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.765 6.341 4.917 1.00 0.00 C ATOM 0 H LEU A 90 95.682 5.791 4.411 1.00 0.00 H new ATOM 0 HA LEU A 90 93.918 7.767 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.548 4.880 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.257 5.818 7.034 1.00 0.00 H new ATOM 0 HG LEU A 90 93.512 5.451 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 91.772 3.695 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.258 3.238 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 90 91.853 3.846 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.117 6.103 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.199 6.255 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.138 7.360 4.812 1.00 0.00 H new ATOM 1404 N VAL A 91 96.675 7.181 7.154 1.00 0.00 N ATOM 1405 CA VAL A 91 97.508 7.587 8.344 1.00 0.00 C ATOM 1406 C VAL A 91 96.709 8.528 9.252 1.00 0.00 C ATOM 1407 O VAL A 91 96.499 8.244 10.416 1.00 0.00 O ATOM 1408 CB VAL A 91 98.760 8.317 7.839 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.343 9.509 6.975 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.581 8.817 9.026 1.00 0.00 C ATOM 0 H VAL A 91 97.195 6.696 6.422 1.00 0.00 H new ATOM 0 HA VAL A 91 97.787 6.700 8.912 1.00 0.00 H new ATOM 0 HB VAL A 91 99.362 7.628 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.232 10.027 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 91 97.761 9.156 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 91 97.738 10.195 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.469 9.334 8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 91 98.979 9.504 9.621 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.882 7.970 9.643 1.00 0.00 H new ATOM 1420 N GLN A 92 96.262 9.639 8.713 1.00 0.00 N ATOM 1421 CA GLN A 92 95.471 10.621 9.517 1.00 0.00 C ATOM 1422 C GLN A 92 94.590 9.878 10.522 1.00 0.00 C ATOM 1423 O GLN A 92 94.254 8.726 10.327 1.00 0.00 O ATOM 1424 CB GLN A 92 94.587 11.446 8.583 1.00 0.00 C ATOM 1425 CG GLN A 92 93.972 12.609 9.363 1.00 0.00 C ATOM 1426 CD GLN A 92 95.063 13.635 9.671 1.00 0.00 C ATOM 1427 OE1 GLN A 92 95.317 13.944 10.819 1.00 0.00 O ATOM 1428 NE2 GLN A 92 95.727 14.174 8.688 1.00 0.00 N ATOM 0 H GLN A 92 96.414 9.908 7.741 1.00 0.00 H new ATOM 0 HA GLN A 92 96.154 11.279 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 92 95.176 11.825 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 92 93.801 10.820 8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.174 13.071 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 92 93.524 12.247 10.288 1.00 0.00 H new ATOM 0 HE21 GLN A 92 95.513 13.914 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 92 96.461 14.856 8.881 1.00 0.00 H new ATOM 1437 N HIS A 93 94.224 10.518 11.606 1.00 0.00 N ATOM 1438 CA HIS A 93 93.382 9.821 12.621 1.00 0.00 C ATOM 1439 C HIS A 93 94.123 8.551 13.017 1.00 0.00 C ATOM 1440 O HIS A 93 94.245 7.629 12.237 1.00 0.00 O ATOM 1441 CB HIS A 93 92.018 9.473 12.015 1.00 0.00 C ATOM 1442 CG HIS A 93 91.117 8.903 13.080 1.00 0.00 C ATOM 1443 ND1 HIS A 93 91.058 7.545 13.350 1.00 0.00 N ATOM 1444 CD2 HIS A 93 90.231 9.496 13.946 1.00 0.00 C ATOM 1445 CE1 HIS A 93 90.163 7.366 14.340 1.00 0.00 C ATOM 1446 NE2 HIS A 93 89.629 8.525 14.739 1.00 0.00 N ATOM 0 H HIS A 93 94.470 11.483 11.828 1.00 0.00 H new ATOM 0 HA HIS A 93 93.210 10.454 13.491 1.00 0.00 H new ATOM 0 HB2 HIS A 93 91.565 10.364 11.581 1.00 0.00 H new ATOM 0 HB3 HIS A 93 92.142 8.752 11.207 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.032 10.556 14.003 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.908 6.404 14.760 1.00 0.00 H new ATOM 0 HE2 HIS A 93 88.930 8.667 15.468 1.00 0.00 H new ATOM 1454 N ASN A 94 94.670 8.504 14.198 1.00 0.00 N ATOM 1455 CA ASN A 94 95.443 7.297 14.574 1.00 0.00 C ATOM 1456 C ASN A 94 96.530 7.126 13.519 1.00 0.00 C ATOM 1457 O ASN A 94 96.459 6.258 12.672 1.00 0.00 O ATOM 1458 CB ASN A 94 94.534 6.066 14.614 1.00 0.00 C ATOM 1459 CG ASN A 94 93.634 6.144 15.848 1.00 0.00 C ATOM 1460 OD1 ASN A 94 94.116 6.262 16.957 1.00 0.00 O ATOM 1461 ND2 ASN A 94 92.340 6.081 15.704 1.00 0.00 N ATOM 0 H ASN A 94 94.616 9.236 14.906 1.00 0.00 H new ATOM 0 HA ASN A 94 95.878 7.407 15.567 1.00 0.00 H new ATOM 0 HB2 ASN A 94 93.928 6.018 13.710 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.134 5.157 14.644 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.733 6.131 16.522 1.00 0.00 H new ATOM 0 HD22 ASN A 94 91.935 5.982 14.773 1.00 0.00 H new ATOM 1468 N ASP A 95 97.512 7.993 13.555 1.00 0.00 N ATOM 1469 CA ASP A 95 98.627 7.963 12.560 1.00 0.00 C ATOM 1470 C ASP A 95 98.890 6.538 12.064 1.00 0.00 C ATOM 1471 O ASP A 95 99.493 6.340 11.028 1.00 0.00 O ATOM 1472 CB ASP A 95 99.898 8.505 13.220 1.00 0.00 C ATOM 1473 CG ASP A 95 99.748 10.007 13.475 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.930 10.623 12.813 1.00 0.00 O ATOM 1475 OD2 ASP A 95 100.456 10.515 14.331 1.00 0.00 O ATOM 0 H ASP A 95 97.588 8.737 14.249 1.00 0.00 H new ATOM 0 HA ASP A 95 98.344 8.578 11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.082 7.984 14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.760 8.320 12.579 1.00 0.00 H new ATOM 1480 N SER A 96 98.466 5.544 12.784 1.00 0.00 N ATOM 1481 CA SER A 96 98.723 4.156 12.326 1.00 0.00 C ATOM 1482 C SER A 96 97.761 3.764 11.210 1.00 0.00 C ATOM 1483 O SER A 96 97.646 2.604 10.869 1.00 0.00 O ATOM 1484 CB SER A 96 98.569 3.184 13.496 1.00 0.00 C ATOM 1485 OG SER A 96 97.203 3.144 13.893 1.00 0.00 O ATOM 0 H SER A 96 97.956 5.630 13.663 1.00 0.00 H new ATOM 0 HA SER A 96 99.742 4.108 11.941 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.905 2.189 13.205 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.194 3.499 14.331 1.00 0.00 H new ATOM 0 HG SER A 96 97.098 2.521 14.642 1.00 0.00 H new ATOM 1491 N LEU A 97 97.096 4.702 10.602 1.00 0.00 N ATOM 1492 CA LEU A 97 96.193 4.323 9.489 1.00 0.00 C ATOM 1493 C LEU A 97 96.982 4.513 8.196 1.00 0.00 C ATOM 1494 O LEU A 97 96.482 5.015 7.217 1.00 0.00 O ATOM 1495 CB LEU A 97 94.934 5.205 9.477 1.00 0.00 C ATOM 1496 CG LEU A 97 94.134 5.007 10.770 1.00 0.00 C ATOM 1497 CD1 LEU A 97 92.831 5.812 10.700 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.798 3.524 10.943 1.00 0.00 C ATOM 0 H LEU A 97 97.137 5.697 10.823 1.00 0.00 H new ATOM 0 HA LEU A 97 95.861 3.291 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.216 6.253 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.314 4.955 8.616 1.00 0.00 H new ATOM 0 HG LEU A 97 94.731 5.350 11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.265 5.669 11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.063 6.870 10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 97 92.237 5.470 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.229 3.385 11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.205 3.184 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.720 2.946 10.996 1.00 0.00 H new ATOM 1510 N ASN A 98 98.230 4.121 8.197 1.00 0.00 N ATOM 1511 CA ASN A 98 99.071 4.301 6.984 1.00 0.00 C ATOM 1512 C ASN A 98 98.746 3.217 5.954 1.00 0.00 C ATOM 1513 O ASN A 98 99.461 2.245 5.802 1.00 0.00 O ATOM 1514 CB ASN A 98 100.545 4.212 7.385 1.00 0.00 C ATOM 1515 CG ASN A 98 100.941 5.462 8.171 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.211 6.497 7.595 1.00 0.00 O ATOM 1517 ND2 ASN A 98 100.977 5.410 9.472 1.00 0.00 N ATOM 0 H ASN A 98 98.701 3.683 8.989 1.00 0.00 H new ATOM 0 HA ASN A 98 98.868 5.275 6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 98 100.714 3.321 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.169 4.117 6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.232 6.239 10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 98 100.750 4.540 9.954 1.00 0.00 H new ATOM 1524 N VAL A 99 97.669 3.397 5.239 1.00 0.00 N ATOM 1525 CA VAL A 99 97.272 2.409 4.200 1.00 0.00 C ATOM 1526 C VAL A 99 96.455 3.123 3.130 1.00 0.00 C ATOM 1527 O VAL A 99 95.881 4.165 3.370 1.00 0.00 O ATOM 1528 CB VAL A 99 96.419 1.309 4.826 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.190 1.929 5.496 1.00 0.00 C ATOM 1530 CG2 VAL A 99 95.955 0.339 3.738 1.00 0.00 C ATOM 0 H VAL A 99 97.042 4.196 5.333 1.00 0.00 H new ATOM 0 HA VAL A 99 98.165 1.965 3.762 1.00 0.00 H new ATOM 0 HB VAL A 99 97.013 0.775 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 99 94.583 1.141 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.510 2.624 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 99 94.601 2.464 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.346 -0.446 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.364 0.878 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 99 96.824 -0.107 3.254 1.00 0.00 H new ATOM 1540 N THR A 100 96.388 2.572 1.953 1.00 0.00 N ATOM 1541 CA THR A 100 95.589 3.226 0.879 1.00 0.00 C ATOM 1542 C THR A 100 94.658 2.189 0.245 1.00 0.00 C ATOM 1543 O THR A 100 94.909 1.001 0.302 1.00 0.00 O ATOM 1544 CB THR A 100 96.520 3.799 -0.197 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.135 2.736 -0.915 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.595 4.673 0.453 1.00 0.00 C ATOM 0 H THR A 100 96.849 1.702 1.687 1.00 0.00 H new ATOM 0 HA THR A 100 95.004 4.038 1.311 1.00 0.00 H new ATOM 0 HB THR A 100 95.935 4.408 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.314 3.023 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.252 5.076 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.120 5.494 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.180 4.073 1.150 1.00 0.00 H new ATOM 1554 N LEU A 101 93.594 2.624 -0.372 1.00 0.00 N ATOM 1555 CA LEU A 101 92.663 1.653 -1.020 1.00 0.00 C ATOM 1556 C LEU A 101 93.235 1.297 -2.389 1.00 0.00 C ATOM 1557 O LEU A 101 92.686 1.646 -3.414 1.00 0.00 O ATOM 1558 CB LEU A 101 91.288 2.305 -1.188 1.00 0.00 C ATOM 1559 CG LEU A 101 90.788 2.786 0.175 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.301 3.131 0.086 1.00 0.00 C ATOM 1561 CD2 LEU A 101 90.994 1.680 1.210 1.00 0.00 C ATOM 0 H LEU A 101 93.328 3.605 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 101 92.556 0.756 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.352 3.144 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.584 1.591 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 101 91.346 3.674 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 101 88.948 3.473 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.154 3.920 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 101 88.739 2.246 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.638 2.021 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.436 0.793 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.054 1.437 1.276 1.00 0.00 H new ATOM 1573 N ALA A 102 94.365 0.645 -2.413 1.00 0.00 N ATOM 1574 CA ALA A 102 95.001 0.323 -3.720 1.00 0.00 C ATOM 1575 C ALA A 102 94.786 -1.134 -4.160 1.00 0.00 C ATOM 1576 O ALA A 102 94.803 -1.416 -5.341 1.00 0.00 O ATOM 1577 CB ALA A 102 96.501 0.609 -3.621 1.00 0.00 C ATOM 0 H ALA A 102 94.872 0.323 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 102 94.526 0.949 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.979 0.377 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.656 1.662 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 102 96.938 -0.008 -2.836 1.00 0.00 H new ATOM 1583 N TYR A 103 94.622 -2.072 -3.263 1.00 0.00 N ATOM 1584 CA TYR A 103 94.461 -3.481 -3.731 1.00 0.00 C ATOM 1585 C TYR A 103 93.023 -3.982 -3.489 1.00 0.00 C ATOM 1586 O TYR A 103 92.511 -3.901 -2.390 1.00 0.00 O ATOM 1587 CB TYR A 103 95.455 -4.366 -2.977 1.00 0.00 C ATOM 1588 CG TYR A 103 95.387 -5.776 -3.509 1.00 0.00 C ATOM 1589 CD1 TYR A 103 95.838 -6.058 -4.805 1.00 0.00 C ATOM 1590 CD2 TYR A 103 94.879 -6.801 -2.711 1.00 0.00 C ATOM 1591 CE1 TYR A 103 95.779 -7.367 -5.297 1.00 0.00 C ATOM 1592 CE2 TYR A 103 94.822 -8.110 -3.199 1.00 0.00 C ATOM 1593 CZ TYR A 103 95.271 -8.393 -4.493 1.00 0.00 C ATOM 1594 OH TYR A 103 95.216 -9.685 -4.976 1.00 0.00 O ATOM 0 H TYR A 103 94.593 -1.930 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 103 94.656 -3.525 -4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 103 96.465 -3.973 -3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.228 -4.358 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.231 -5.265 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 103 94.529 -6.583 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 103 96.125 -7.585 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 103 94.432 -8.902 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 103 94.838 -10.275 -4.291 1.00 0.00 H new ATOM 1604 N PRO A 104 92.377 -4.496 -4.519 1.00 0.00 N ATOM 1605 CA PRO A 104 90.976 -5.024 -4.425 1.00 0.00 C ATOM 1606 C PRO A 104 90.906 -6.383 -3.715 1.00 0.00 C ATOM 1607 O PRO A 104 91.807 -7.193 -3.815 1.00 0.00 O ATOM 1608 CB PRO A 104 90.556 -5.173 -5.886 1.00 0.00 C ATOM 1609 CG PRO A 104 91.823 -5.397 -6.636 1.00 0.00 C ATOM 1610 CD PRO A 104 92.912 -4.637 -5.887 1.00 0.00 C ATOM 0 HA PRO A 104 90.334 -4.363 -3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.869 -6.009 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 104 90.041 -4.280 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 104 92.059 -6.460 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.735 -5.038 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.855 -5.184 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.105 -3.665 -6.342 1.00 0.00 H new ATOM 1618 N VAL A 105 89.845 -6.639 -2.999 1.00 0.00 N ATOM 1619 CA VAL A 105 89.721 -7.944 -2.286 1.00 0.00 C ATOM 1620 C VAL A 105 89.188 -9.033 -3.237 1.00 0.00 C ATOM 1621 O VAL A 105 89.521 -10.194 -3.105 1.00 0.00 O ATOM 1622 CB VAL A 105 88.781 -7.778 -1.078 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.327 -7.613 -1.537 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.891 -9.004 -0.168 1.00 0.00 C ATOM 0 H VAL A 105 89.058 -6.001 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 105 90.705 -8.255 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 105 89.078 -6.883 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.681 -7.497 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.243 -6.730 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 105 87.021 -8.494 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 105 88.225 -8.884 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.609 -9.897 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.918 -9.105 0.184 1.00 0.00 H new ATOM 1634 N TYR A 106 88.359 -8.677 -4.187 1.00 0.00 N ATOM 1635 CA TYR A 106 87.814 -9.717 -5.116 1.00 0.00 C ATOM 1636 C TYR A 106 87.990 -9.291 -6.573 1.00 0.00 C ATOM 1637 O TYR A 106 87.037 -9.185 -7.317 1.00 0.00 O ATOM 1638 CB TYR A 106 86.326 -9.946 -4.830 1.00 0.00 C ATOM 1639 CG TYR A 106 86.168 -10.835 -3.617 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.614 -12.160 -3.656 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.565 -10.335 -2.455 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.458 -12.986 -2.535 1.00 0.00 C ATOM 1643 CE2 TYR A 106 85.411 -11.161 -1.333 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.858 -12.485 -1.375 1.00 0.00 C ATOM 1645 OH TYR A 106 85.702 -13.299 -0.272 1.00 0.00 O ATOM 0 H TYR A 106 88.039 -7.724 -4.359 1.00 0.00 H new ATOM 0 HA TYR A 106 88.366 -10.642 -4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.828 -8.991 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.847 -10.406 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.079 -12.547 -4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.219 -9.313 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.801 -14.010 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.948 -10.775 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 106 86.422 -13.963 -0.251 1.00 0.00 H new ATOM 1655 N ALA A 107 89.204 -9.069 -6.989 1.00 0.00 N ATOM 1656 CA ALA A 107 89.447 -8.672 -8.406 1.00 0.00 C ATOM 1657 C ALA A 107 89.765 -9.914 -9.245 1.00 0.00 C ATOM 1658 O ALA A 107 90.402 -10.840 -8.784 1.00 0.00 O ATOM 1659 CB ALA A 107 90.630 -7.708 -8.476 1.00 0.00 C ATOM 0 H ALA A 107 90.040 -9.145 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 107 88.553 -8.185 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 107 90.804 -7.420 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 107 90.410 -6.819 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 107 91.521 -8.196 -8.080 1.00 0.00 H new