USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.16) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 75:sc= -0.672 USER MOD Single : A 9 ASN :FLIP amide:sc= 1 F(o=-0.079,f=1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 41 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.086) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 47 SER OG : rot -53:sc= 1.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -140:sc=-0.00218 USER MOD Single : A 66 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.73) USER MOD Single : A 69 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.42) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 83 SER OG : rot 74:sc= 0.313 USER MOD Single : A 86 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -121:sc= -0.124 (180deg=-0.709) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.156 F(o=-2.4!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.309 5.207 -15.660 1.00 0.00 N ATOM 32 CA GLN A 3 -5.947 4.143 -14.826 1.00 0.00 C ATOM 33 C GLN A 3 -6.304 4.701 -13.438 1.00 0.00 C ATOM 34 O GLN A 3 -6.077 4.055 -12.434 1.00 0.00 O ATOM 35 CB GLN A 3 -4.892 3.039 -14.704 1.00 0.00 C ATOM 36 CG GLN A 3 -5.180 1.937 -15.728 1.00 0.00 C ATOM 37 CD GLN A 3 -5.013 2.496 -17.147 1.00 0.00 C ATOM 38 OE1 GLN A 3 -3.924 2.494 -17.685 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.052 2.982 -17.783 1.00 0.00 N ATOM 0 HA GLN A 3 -6.871 3.773 -15.270 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.897 3.453 -14.870 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.900 2.624 -13.696 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.501 1.098 -15.575 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.193 1.557 -15.593 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.968 2.986 -17.335 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.944 3.356 -18.726 1.00 0.00 H new ATOM 48 N GLU A 4 -6.865 5.895 -13.369 1.00 0.00 N ATOM 49 CA GLU A 4 -7.234 6.470 -12.020 1.00 0.00 C ATOM 50 C GLU A 4 -8.183 5.513 -11.284 1.00 0.00 C ATOM 51 O GLU A 4 -8.066 5.319 -10.090 1.00 0.00 O ATOM 52 CB GLU A 4 -7.933 7.814 -12.283 1.00 0.00 C ATOM 53 CG GLU A 4 -7.741 8.733 -11.077 1.00 0.00 C ATOM 54 CD GLU A 4 -6.364 9.396 -11.154 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.432 8.731 -11.575 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.265 10.556 -10.789 1.00 0.00 O ATOM 0 H GLU A 4 -7.081 6.488 -14.171 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.350 6.608 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.522 8.281 -13.178 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.996 7.654 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.522 9.493 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.830 8.161 -10.153 1.00 0.00 H new ATOM 63 N GLN A 5 -9.113 4.893 -11.989 1.00 0.00 N ATOM 64 CA GLN A 5 -10.052 3.926 -11.304 1.00 0.00 C ATOM 65 C GLN A 5 -9.228 2.850 -10.577 1.00 0.00 C ATOM 66 O GLN A 5 -9.523 2.493 -9.452 1.00 0.00 O ATOM 67 CB GLN A 5 -10.920 3.297 -12.417 1.00 0.00 C ATOM 68 CG GLN A 5 -11.811 2.182 -11.844 1.00 0.00 C ATOM 69 CD GLN A 5 -13.290 2.575 -11.973 1.00 0.00 C ATOM 70 OE1 GLN A 5 -13.761 3.439 -11.260 1.00 0.00 O ATOM 71 NE2 GLN A 5 -14.052 1.976 -12.857 1.00 0.00 N ATOM 0 H GLN A 5 -9.262 5.011 -12.991 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.681 4.420 -10.563 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.541 4.065 -12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.279 2.892 -13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.626 1.248 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.562 2.008 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.662 1.250 -13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.034 2.236 -12.943 1.00 0.00 H new ATOM 80 N TYR A 6 -8.176 2.365 -11.198 1.00 0.00 N ATOM 81 CA TYR A 6 -7.314 1.346 -10.511 1.00 0.00 C ATOM 82 C TYR A 6 -6.466 2.056 -9.445 1.00 0.00 C ATOM 83 O TYR A 6 -6.208 1.509 -8.391 1.00 0.00 O ATOM 84 CB TYR A 6 -6.414 0.719 -11.589 1.00 0.00 C ATOM 85 CG TYR A 6 -7.204 -0.304 -12.370 1.00 0.00 C ATOM 86 CD1 TYR A 6 -8.121 0.111 -13.343 1.00 0.00 C ATOM 87 CD2 TYR A 6 -7.021 -1.670 -12.119 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.856 -0.835 -14.063 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.756 -2.619 -12.839 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.675 -2.201 -13.812 1.00 0.00 C ATOM 91 OH TYR A 6 -9.399 -3.136 -14.523 1.00 0.00 O ATOM 0 H TYR A 6 -7.880 2.626 -12.138 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.907 0.573 -10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.037 1.492 -12.259 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.547 0.248 -11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.261 1.164 -13.538 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.313 -1.991 -11.370 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.563 -0.513 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.615 -3.672 -12.645 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.151 -4.036 -14.226 1.00 0.00 H new ATOM 101 N THR A 7 -6.041 3.280 -9.703 1.00 0.00 N ATOM 102 CA THR A 7 -5.223 4.020 -8.681 1.00 0.00 C ATOM 103 C THR A 7 -6.094 4.363 -7.464 1.00 0.00 C ATOM 104 O THR A 7 -5.638 4.283 -6.338 1.00 0.00 O ATOM 105 CB THR A 7 -4.730 5.308 -9.367 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.944 4.966 -10.500 1.00 0.00 O ATOM 107 CG2 THR A 7 -3.889 6.146 -8.398 1.00 0.00 C ATOM 0 H THR A 7 -6.224 3.791 -10.567 1.00 0.00 H new ATOM 0 HA THR A 7 -4.385 3.419 -8.329 1.00 0.00 H new ATOM 0 HB THR A 7 -5.595 5.894 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.529 4.660 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.550 7.052 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.493 6.416 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.025 5.567 -8.071 1.00 0.00 H new ATOM 115 N GLU A 8 -7.341 4.739 -7.671 1.00 0.00 N ATOM 116 CA GLU A 8 -8.211 5.074 -6.490 1.00 0.00 C ATOM 117 C GLU A 8 -8.549 3.794 -5.721 1.00 0.00 C ATOM 118 O GLU A 8 -8.544 3.784 -4.503 1.00 0.00 O ATOM 119 CB GLU A 8 -9.489 5.727 -7.042 1.00 0.00 C ATOM 120 CG GLU A 8 -10.232 6.435 -5.908 1.00 0.00 C ATOM 121 CD GLU A 8 -11.655 6.770 -6.360 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.318 5.881 -6.867 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.057 7.908 -6.189 1.00 0.00 O ATOM 0 H GLU A 8 -7.785 4.827 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.704 5.752 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.236 6.441 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.130 4.971 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.261 5.798 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.704 7.346 -5.627 1.00 0.00 H new ATOM 130 N ASN A 9 -8.813 2.707 -6.413 1.00 0.00 N ATOM 131 CA ASN A 9 -9.115 1.429 -5.685 1.00 0.00 C ATOM 132 C ASN A 9 -7.803 0.835 -5.160 1.00 0.00 C ATOM 133 O ASN A 9 -7.747 0.339 -4.050 1.00 0.00 O ATOM 134 CB ASN A 9 -9.776 0.481 -6.697 1.00 0.00 C ATOM 135 CG ASN A 9 -11.222 0.926 -6.947 1.00 0.00 C ATOM 136 OD1 ASN A 9 -12.214 0.257 -6.413 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 -11.453 1.898 -7.640 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.833 2.649 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.779 1.592 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.217 0.484 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.759 -0.541 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.683 2.421 -8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.416 2.190 -7.804 1.00 0.00 H new ATOM 144 N LEU A 10 -6.737 0.905 -5.934 1.00 0.00 N ATOM 145 CA LEU A 10 -5.427 0.361 -5.437 1.00 0.00 C ATOM 146 C LEU A 10 -4.972 1.171 -4.216 1.00 0.00 C ATOM 147 O LEU A 10 -4.423 0.622 -3.280 1.00 0.00 O ATOM 148 CB LEU A 10 -4.412 0.504 -6.583 1.00 0.00 C ATOM 149 CG LEU A 10 -3.093 -0.161 -6.186 1.00 0.00 C ATOM 150 CD1 LEU A 10 -3.305 -1.668 -6.033 1.00 0.00 C ATOM 151 CD2 LEU A 10 -2.046 0.098 -7.271 1.00 0.00 C ATOM 0 H LEU A 10 -6.718 1.308 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.517 -0.684 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.805 0.044 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.247 1.558 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.748 0.254 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.365 -2.141 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.051 -1.854 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.650 -2.085 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.105 -0.375 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.392 -0.317 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.893 1.172 -7.380 1.00 0.00 H new ATOM 163 N LYS A 11 -5.204 2.474 -4.204 1.00 0.00 N ATOM 164 CA LYS A 11 -4.779 3.296 -3.012 1.00 0.00 C ATOM 165 C LYS A 11 -5.378 2.716 -1.720 1.00 0.00 C ATOM 166 O LYS A 11 -4.754 2.757 -0.676 1.00 0.00 O ATOM 167 CB LYS A 11 -5.304 4.723 -3.243 1.00 0.00 C ATOM 168 CG LYS A 11 -4.817 5.637 -2.116 1.00 0.00 C ATOM 169 CD LYS A 11 -5.889 6.683 -1.805 1.00 0.00 C ATOM 170 CE LYS A 11 -5.857 7.022 -0.314 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.899 6.153 0.301 1.00 0.00 N ATOM 0 H LYS A 11 -5.660 2.994 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.694 3.290 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.956 5.098 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.393 4.720 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.600 5.048 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.889 6.128 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.717 7.582 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.873 6.304 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.875 6.824 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.072 8.077 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.937 6.328 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.824 6.368 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.664 5.155 0.129 1.00 0.00 H new ATOM 185 N VAL A 12 -6.575 2.164 -1.778 1.00 0.00 N ATOM 186 CA VAL A 12 -7.177 1.577 -0.531 1.00 0.00 C ATOM 187 C VAL A 12 -6.457 0.267 -0.186 1.00 0.00 C ATOM 188 O VAL A 12 -6.146 0.013 0.963 1.00 0.00 O ATOM 189 CB VAL A 12 -8.660 1.316 -0.841 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.345 0.711 0.385 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.343 2.636 -1.204 1.00 0.00 C ATOM 0 H VAL A 12 -7.150 2.096 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.076 2.248 0.322 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.737 0.621 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.396 0.528 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.860 -0.230 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.268 1.403 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.395 2.453 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.263 3.329 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.859 3.067 -2.080 1.00 0.00 H new ATOM 201 N ILE A 13 -6.176 -0.559 -1.170 1.00 0.00 N ATOM 202 CA ILE A 13 -5.454 -1.845 -0.874 1.00 0.00 C ATOM 203 C ILE A 13 -4.009 -1.539 -0.451 1.00 0.00 C ATOM 204 O ILE A 13 -3.472 -2.194 0.425 1.00 0.00 O ATOM 205 CB ILE A 13 -5.497 -2.682 -2.167 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.966 -2.981 -2.527 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.743 -4.001 -1.955 1.00 0.00 C ATOM 208 CD1 ILE A 13 -7.219 -2.685 -4.010 1.00 0.00 C ATOM 0 H ILE A 13 -6.410 -0.404 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.919 -2.395 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.025 -2.126 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.195 -4.025 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.630 -2.376 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.776 -4.590 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.705 -3.789 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.211 -4.562 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.260 -2.900 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.009 -1.635 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.568 -3.309 -4.622 1.00 0.00 H new ATOM 220 N VAL A 14 -3.378 -0.539 -1.038 1.00 0.00 N ATOM 221 CA VAL A 14 -1.970 -0.206 -0.615 1.00 0.00 C ATOM 222 C VAL A 14 -1.985 0.221 0.863 1.00 0.00 C ATOM 223 O VAL A 14 -1.119 -0.162 1.628 1.00 0.00 O ATOM 224 CB VAL A 14 -1.489 0.951 -1.510 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.054 1.329 -1.131 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.534 0.517 -2.985 1.00 0.00 C ATOM 0 H VAL A 14 -3.766 0.049 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.302 -1.061 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.141 1.813 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.286 2.148 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.024 1.641 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.598 0.467 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.193 1.338 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.885 -0.346 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.556 0.252 -3.255 1.00 0.00 H new ATOM 236 N ALA A 15 -2.974 0.993 1.279 1.00 0.00 N ATOM 237 CA ALA A 15 -3.033 1.406 2.728 1.00 0.00 C ATOM 238 C ALA A 15 -3.251 0.168 3.619 1.00 0.00 C ATOM 239 O ALA A 15 -2.791 0.129 4.745 1.00 0.00 O ATOM 240 CB ALA A 15 -4.218 2.375 2.868 1.00 0.00 C ATOM 0 H ALA A 15 -3.728 1.348 0.691 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.103 1.882 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.300 2.702 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.058 3.241 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.138 1.870 2.573 1.00 0.00 H new ATOM 246 N GLU A 16 -3.945 -0.852 3.132 1.00 0.00 N ATOM 247 CA GLU A 16 -4.176 -2.088 3.973 1.00 0.00 C ATOM 248 C GLU A 16 -2.840 -2.605 4.536 1.00 0.00 C ATOM 249 O GLU A 16 -2.769 -3.033 5.673 1.00 0.00 O ATOM 250 CB GLU A 16 -4.790 -3.140 3.034 1.00 0.00 C ATOM 251 CG GLU A 16 -5.113 -4.418 3.815 1.00 0.00 C ATOM 252 CD GLU A 16 -4.992 -5.632 2.891 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.152 -5.599 2.008 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.742 -6.574 3.083 1.00 0.00 O ATOM 0 H GLU A 16 -4.356 -0.881 2.199 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.831 -1.874 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.697 -2.745 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.096 -3.365 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.431 -4.522 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.121 -4.360 4.225 1.00 0.00 H new ATOM 261 N LYS A 17 -1.782 -2.559 3.753 1.00 0.00 N ATOM 262 CA LYS A 17 -0.456 -3.045 4.271 1.00 0.00 C ATOM 263 C LYS A 17 0.212 -1.942 5.108 1.00 0.00 C ATOM 264 O LYS A 17 0.802 -2.217 6.136 1.00 0.00 O ATOM 265 CB LYS A 17 0.400 -3.381 3.041 1.00 0.00 C ATOM 266 CG LYS A 17 1.447 -4.432 3.419 1.00 0.00 C ATOM 267 CD LYS A 17 0.824 -5.831 3.337 1.00 0.00 C ATOM 268 CE LYS A 17 0.354 -6.274 4.730 1.00 0.00 C ATOM 269 NZ LYS A 17 1.192 -7.460 5.065 1.00 0.00 N ATOM 0 H LYS A 17 -1.777 -2.212 2.794 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.574 -3.920 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.232 -3.755 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.890 -2.481 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.304 -4.364 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.816 -4.246 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.018 -5.824 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.553 -6.541 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.487 -5.478 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.706 -6.529 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.927 -7.818 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.039 -8.205 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.195 -7.186 5.069 1.00 0.00 H new ATOM 283 N LEU A 18 0.120 -0.694 4.686 1.00 0.00 N ATOM 284 CA LEU A 18 0.754 0.410 5.491 1.00 0.00 C ATOM 285 C LEU A 18 0.020 0.561 6.830 1.00 0.00 C ATOM 286 O LEU A 18 0.637 0.608 7.876 1.00 0.00 O ATOM 287 CB LEU A 18 0.608 1.700 4.671 1.00 0.00 C ATOM 288 CG LEU A 18 1.453 1.615 3.405 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.948 2.643 2.391 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.914 1.915 3.750 1.00 0.00 C ATOM 0 H LEU A 18 -0.358 -0.397 3.835 1.00 0.00 H new ATOM 0 HA LEU A 18 1.802 0.193 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.438 1.857 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.919 2.557 5.268 1.00 0.00 H new ATOM 0 HG LEU A 18 1.377 0.614 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.550 2.585 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.094 2.434 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.028 3.643 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.521 1.855 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.990 2.917 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.273 1.187 4.477 1.00 0.00 H new ATOM 302 N ALA A 19 -1.297 0.629 6.808 1.00 0.00 N ATOM 303 CA ALA A 19 -2.058 0.768 8.099 1.00 0.00 C ATOM 304 C ALA A 19 -1.862 -0.485 8.978 1.00 0.00 C ATOM 305 O ALA A 19 -1.973 -0.413 10.188 1.00 0.00 O ATOM 306 CB ALA A 19 -3.541 0.918 7.723 1.00 0.00 C ATOM 0 H ALA A 19 -1.870 0.595 5.965 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.704 1.628 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.137 1.023 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.671 1.803 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.868 0.035 7.173 1.00 0.00 H new ATOM 312 N GLY A 20 -1.583 -1.639 8.389 1.00 0.00 N ATOM 313 CA GLY A 20 -1.399 -2.875 9.208 1.00 0.00 C ATOM 314 C GLY A 20 0.005 -2.910 9.834 1.00 0.00 C ATOM 315 O GLY A 20 0.174 -3.411 10.932 1.00 0.00 O ATOM 0 H GLY A 20 -1.478 -1.767 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.154 -2.912 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.546 -3.756 8.583 1.00 0.00 H new ATOM 319 N ILE A 21 1.023 -2.399 9.160 1.00 0.00 N ATOM 320 CA ILE A 21 2.412 -2.438 9.759 1.00 0.00 C ATOM 321 C ILE A 21 2.397 -1.823 11.181 1.00 0.00 C ATOM 322 O ILE A 21 1.861 -0.749 11.373 1.00 0.00 O ATOM 323 CB ILE A 21 3.323 -1.624 8.813 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.448 -2.367 7.477 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.721 -1.462 9.423 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.613 -1.365 6.330 1.00 0.00 C ATOM 0 H ILE A 21 0.956 -1.965 8.239 1.00 0.00 H new ATOM 0 HA ILE A 21 2.776 -3.461 9.856 1.00 0.00 H new ATOM 0 HB ILE A 21 2.884 -0.638 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.303 -3.042 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.563 -2.981 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.350 -0.886 8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.644 -0.940 10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.164 -2.445 9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.701 -1.903 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.744 -0.708 6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.512 -0.770 6.493 1.00 0.00 H new ATOM 338 N PRO A 22 2.979 -2.524 12.138 1.00 0.00 N ATOM 339 CA PRO A 22 3.004 -2.015 13.537 1.00 0.00 C ATOM 340 C PRO A 22 3.992 -0.842 13.710 1.00 0.00 C ATOM 341 O PRO A 22 3.861 -0.067 14.639 1.00 0.00 O ATOM 342 CB PRO A 22 3.462 -3.220 14.352 1.00 0.00 C ATOM 343 CG PRO A 22 4.230 -4.072 13.394 1.00 0.00 C ATOM 344 CD PRO A 22 3.656 -3.828 12.024 1.00 0.00 C ATOM 0 HA PRO A 22 2.034 -1.624 13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.085 -2.913 15.193 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.612 -3.762 14.766 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.290 -3.819 13.418 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.148 -5.125 13.664 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.437 -3.805 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.958 -4.615 11.740 1.00 0.00 H new ATOM 415 N ASP A 27 1.683 9.733 8.171 1.00 0.00 N ATOM 416 CA ASP A 27 2.179 9.548 6.766 1.00 0.00 C ATOM 417 C ASP A 27 1.803 8.155 6.223 1.00 0.00 C ATOM 418 O ASP A 27 2.567 7.548 5.496 1.00 0.00 O ATOM 419 CB ASP A 27 3.700 9.693 6.855 1.00 0.00 C ATOM 420 CG ASP A 27 4.064 11.169 7.026 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.987 11.895 6.048 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.414 11.548 8.131 1.00 0.00 O ATOM 0 HA ASP A 27 1.734 10.275 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.082 9.114 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.167 9.294 5.954 1.00 0.00 H new ATOM 427 N ILE A 28 0.638 7.642 6.568 1.00 0.00 N ATOM 428 CA ILE A 28 0.239 6.290 6.056 1.00 0.00 C ATOM 429 C ILE A 28 -0.725 6.435 4.860 1.00 0.00 C ATOM 430 O ILE A 28 -0.609 5.714 3.888 1.00 0.00 O ATOM 431 CB ILE A 28 -0.394 5.553 7.266 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.437 4.038 7.002 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.809 6.061 7.571 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.350 3.716 5.808 1.00 0.00 C ATOM 0 H ILE A 28 -0.044 8.097 7.175 1.00 0.00 H new ATOM 0 HA ILE A 28 1.084 5.716 5.675 1.00 0.00 H new ATOM 0 HB ILE A 28 0.232 5.759 8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.570 3.670 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.797 3.520 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.214 5.518 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.771 7.125 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.448 5.901 6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.364 2.639 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.361 4.064 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.973 4.217 4.916 1.00 0.00 H new ATOM 446 N LYS A 29 -1.654 7.364 4.904 1.00 0.00 N ATOM 447 CA LYS A 29 -2.581 7.533 3.732 1.00 0.00 C ATOM 448 C LYS A 29 -1.857 8.274 2.594 1.00 0.00 C ATOM 449 O LYS A 29 -2.112 8.020 1.432 1.00 0.00 O ATOM 450 CB LYS A 29 -3.814 8.321 4.230 1.00 0.00 C ATOM 451 CG LYS A 29 -3.422 9.746 4.650 1.00 0.00 C ATOM 452 CD LYS A 29 -4.684 10.599 4.782 1.00 0.00 C ATOM 453 CE LYS A 29 -5.152 11.039 3.394 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.154 12.111 3.649 1.00 0.00 N ATOM 0 H LYS A 29 -1.810 8.002 5.684 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.898 6.569 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.566 8.364 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.267 7.800 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.884 9.723 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.749 10.183 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.470 10.030 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.482 11.472 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.320 11.410 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.594 10.208 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.522 12.465 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.937 11.726 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.703 12.891 4.168 1.00 0.00 H new ATOM 468 N TYR A 30 -0.937 9.170 2.909 1.00 0.00 N ATOM 469 CA TYR A 30 -0.196 9.884 1.815 1.00 0.00 C ATOM 470 C TYR A 30 0.893 8.968 1.229 1.00 0.00 C ATOM 471 O TYR A 30 1.225 9.081 0.064 1.00 0.00 O ATOM 472 CB TYR A 30 0.438 11.132 2.450 1.00 0.00 C ATOM 473 CG TYR A 30 -0.646 12.124 2.800 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.172 12.963 1.811 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.126 12.203 4.113 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.176 13.882 2.134 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.131 13.121 4.436 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.657 13.961 3.446 1.00 0.00 C ATOM 479 OH TYR A 30 -3.648 14.867 3.766 1.00 0.00 O ATOM 0 H TYR A 30 -0.674 9.431 3.859 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.866 10.161 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.995 10.855 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.150 11.583 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.803 12.901 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.720 11.555 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.580 14.531 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.501 13.182 5.449 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.866 14.790 4.718 1.00 0.00 H new ATOM 489 N VAL A 31 1.447 8.055 2.011 1.00 0.00 N ATOM 490 CA VAL A 31 2.503 7.147 1.444 1.00 0.00 C ATOM 491 C VAL A 31 1.878 6.120 0.472 1.00 0.00 C ATOM 492 O VAL A 31 2.537 5.670 -0.448 1.00 0.00 O ATOM 493 CB VAL A 31 3.214 6.470 2.650 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.383 5.308 3.217 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.587 5.946 2.200 1.00 0.00 C ATOM 0 H VAL A 31 1.218 7.904 2.993 1.00 0.00 H new ATOM 0 HA VAL A 31 3.232 7.704 0.856 1.00 0.00 H new ATOM 0 HB VAL A 31 3.332 7.215 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.911 4.859 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.416 5.682 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.231 4.557 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.089 5.471 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.454 5.219 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.193 6.777 1.839 1.00 0.00 H new ATOM 505 N ALA A 32 0.615 5.759 0.643 1.00 0.00 N ATOM 506 CA ALA A 32 -0.006 4.778 -0.317 1.00 0.00 C ATOM 507 C ALA A 32 -0.215 5.453 -1.682 1.00 0.00 C ATOM 508 O ALA A 32 -0.027 4.836 -2.713 1.00 0.00 O ATOM 509 CB ALA A 32 -1.357 4.358 0.284 1.00 0.00 C ATOM 0 H ALA A 32 0.003 6.094 1.388 1.00 0.00 H new ATOM 0 HA ALA A 32 0.635 3.909 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.845 3.645 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.194 3.895 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.992 5.236 0.402 1.00 0.00 H new ATOM 515 N GLU A 33 -0.589 6.721 -1.703 1.00 0.00 N ATOM 516 CA GLU A 33 -0.790 7.416 -3.028 1.00 0.00 C ATOM 517 C GLU A 33 0.516 7.370 -3.832 1.00 0.00 C ATOM 518 O GLU A 33 0.511 7.056 -5.009 1.00 0.00 O ATOM 519 CB GLU A 33 -1.173 8.873 -2.717 1.00 0.00 C ATOM 520 CG GLU A 33 -2.689 8.974 -2.537 1.00 0.00 C ATOM 521 CD GLU A 33 -3.367 8.959 -3.907 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.314 9.972 -4.584 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.931 7.935 -4.255 1.00 0.00 O ATOM 0 H GLU A 33 -0.761 7.295 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.569 6.932 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.665 9.209 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.848 9.527 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.050 8.143 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.942 9.890 -2.004 1.00 0.00 H new ATOM 530 N TYR A 34 1.637 7.656 -3.203 1.00 0.00 N ATOM 531 CA TYR A 34 2.942 7.594 -3.951 1.00 0.00 C ATOM 532 C TYR A 34 3.196 6.145 -4.387 1.00 0.00 C ATOM 533 O TYR A 34 3.643 5.895 -5.492 1.00 0.00 O ATOM 534 CB TYR A 34 4.037 8.069 -2.974 1.00 0.00 C ATOM 535 CG TYR A 34 5.417 8.017 -3.616 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.588 8.173 -5.005 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.540 7.828 -2.798 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.871 8.136 -5.563 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.822 7.797 -3.359 1.00 0.00 C ATOM 540 CZ TYR A 34 7.987 7.950 -4.740 1.00 0.00 C ATOM 541 OH TYR A 34 9.252 7.923 -5.291 1.00 0.00 O ATOM 0 H TYR A 34 1.706 7.925 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 34 2.933 8.221 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.822 9.088 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.026 7.444 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.728 8.321 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.415 7.706 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.000 8.251 -6.629 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.685 7.655 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 34 9.915 7.786 -4.582 1.00 0.00 H new ATOM 551 N ILE A 35 2.892 5.182 -3.538 1.00 0.00 N ATOM 552 CA ILE A 35 3.096 3.742 -3.929 1.00 0.00 C ATOM 553 C ILE A 35 2.233 3.436 -5.166 1.00 0.00 C ATOM 554 O ILE A 35 2.713 2.884 -6.138 1.00 0.00 O ATOM 555 CB ILE A 35 2.671 2.902 -2.703 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.735 3.055 -1.614 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.535 1.421 -3.068 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.140 2.694 -0.252 1.00 0.00 C ATOM 0 H ILE A 35 2.516 5.329 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 35 4.129 3.515 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 35 1.702 3.258 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.586 2.410 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.107 4.079 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.235 0.855 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.781 1.306 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.492 1.046 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.902 2.805 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.303 3.357 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.790 1.662 -0.270 1.00 0.00 H new ATOM 570 N VAL A 36 0.972 3.817 -5.150 1.00 0.00 N ATOM 571 CA VAL A 36 0.106 3.566 -6.358 1.00 0.00 C ATOM 572 C VAL A 36 0.673 4.358 -7.544 1.00 0.00 C ATOM 573 O VAL A 36 0.746 3.855 -8.650 1.00 0.00 O ATOM 574 CB VAL A 36 -1.311 4.054 -6.013 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.242 3.809 -7.203 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.829 3.284 -4.794 1.00 0.00 C ATOM 0 H VAL A 36 0.510 4.283 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 36 0.082 2.510 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.284 5.120 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.246 4.155 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.873 4.354 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.271 2.743 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.833 3.627 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.856 2.218 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.167 3.458 -3.946 1.00 0.00 H new ATOM 586 N LEU A 37 1.105 5.587 -7.320 1.00 0.00 N ATOM 587 CA LEU A 37 1.697 6.387 -8.453 1.00 0.00 C ATOM 588 C LEU A 37 2.899 5.619 -9.022 1.00 0.00 C ATOM 589 O LEU A 37 3.055 5.508 -10.224 1.00 0.00 O ATOM 590 CB LEU A 37 2.153 7.732 -7.862 1.00 0.00 C ATOM 591 CG LEU A 37 2.409 8.728 -8.994 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.074 9.195 -9.577 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.177 9.934 -8.448 1.00 0.00 C ATOM 0 H LEU A 37 1.074 6.063 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 37 0.977 6.551 -9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.391 8.121 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.060 7.594 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 37 2.996 8.246 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.258 9.905 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.527 8.337 -9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.485 9.677 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.360 10.644 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.590 10.416 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.129 9.602 -8.034 1.00 0.00 H new ATOM 605 N LEU A 38 3.734 5.055 -8.165 1.00 0.00 N ATOM 606 CA LEU A 38 4.898 4.257 -8.683 1.00 0.00 C ATOM 607 C LEU A 38 4.348 3.034 -9.434 1.00 0.00 C ATOM 608 O LEU A 38 4.799 2.702 -10.513 1.00 0.00 O ATOM 609 CB LEU A 38 5.718 3.805 -7.463 1.00 0.00 C ATOM 610 CG LEU A 38 6.329 5.026 -6.772 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.877 4.615 -5.404 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.468 5.579 -7.631 1.00 0.00 C ATOM 0 H LEU A 38 3.659 5.113 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 38 5.523 4.840 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.081 3.261 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.506 3.120 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 38 5.565 5.792 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.313 5.484 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.067 4.218 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.642 3.850 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.904 6.449 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.233 4.813 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.079 5.870 -8.607 1.00 0.00 H new ATOM 624 N ILE A 39 3.352 2.373 -8.872 1.00 0.00 N ATOM 625 CA ILE A 39 2.745 1.179 -9.564 1.00 0.00 C ATOM 626 C ILE A 39 2.174 1.630 -10.918 1.00 0.00 C ATOM 627 O ILE A 39 2.419 1.010 -11.937 1.00 0.00 O ATOM 628 CB ILE A 39 1.622 0.670 -8.627 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.247 0.070 -7.351 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.743 -0.380 -9.328 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.931 -1.273 -7.652 1.00 0.00 C ATOM 0 H ILE A 39 2.936 2.607 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 39 3.470 0.388 -9.755 1.00 0.00 H new ATOM 0 HB ILE A 39 0.986 1.515 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.974 0.767 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.474 -0.073 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.036 -0.718 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.283 0.062 -10.212 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.358 -1.229 -9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.363 -1.675 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.196 -1.976 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.719 -1.123 -8.390 1.00 0.00 H new ATOM 643 N VAL A 40 1.431 2.714 -10.938 1.00 0.00 N ATOM 644 CA VAL A 40 0.869 3.205 -12.247 1.00 0.00 C ATOM 645 C VAL A 40 2.026 3.587 -13.186 1.00 0.00 C ATOM 646 O VAL A 40 1.952 3.374 -14.381 1.00 0.00 O ATOM 647 CB VAL A 40 0.005 4.441 -11.928 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.604 4.992 -13.221 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.121 4.047 -10.962 1.00 0.00 C ATOM 0 H VAL A 40 1.190 3.274 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 40 0.271 2.438 -12.740 1.00 0.00 H new ATOM 0 HB VAL A 40 0.630 5.206 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.214 5.866 -12.992 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.194 5.276 -13.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.226 4.227 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.731 4.922 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.743 3.279 -11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.690 3.659 -10.039 1.00 0.00 H new ATOM 659 N ASN A 41 3.096 4.152 -12.658 1.00 0.00 N ATOM 660 CA ASN A 41 4.253 4.542 -13.543 1.00 0.00 C ATOM 661 C ASN A 41 4.772 3.323 -14.321 1.00 0.00 C ATOM 662 O ASN A 41 5.149 3.443 -15.472 1.00 0.00 O ATOM 663 CB ASN A 41 5.358 5.088 -12.624 1.00 0.00 C ATOM 664 CG ASN A 41 5.211 6.609 -12.493 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.309 7.321 -13.473 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.978 7.146 -11.321 1.00 0.00 N ATOM 0 H ASN A 41 3.218 4.358 -11.666 1.00 0.00 H new ATOM 0 HA ASN A 41 3.942 5.291 -14.272 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.293 4.620 -11.642 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.339 4.841 -13.030 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.880 8.158 -11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.895 6.553 -10.496 1.00 0.00 H new ATOM 673 N GLY A 42 4.799 2.154 -13.712 1.00 0.00 N ATOM 674 CA GLY A 42 5.305 0.951 -14.455 1.00 0.00 C ATOM 675 C GLY A 42 5.015 -0.330 -13.661 1.00 0.00 C ATOM 676 O GLY A 42 4.333 -1.217 -14.140 1.00 0.00 O ATOM 0 H GLY A 42 4.499 1.984 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.830 0.895 -15.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.377 1.046 -14.626 1.00 0.00 H new ATOM 680 N GLY A 43 5.529 -0.435 -12.456 1.00 0.00 N ATOM 681 CA GLY A 43 5.279 -1.658 -11.645 1.00 0.00 C ATOM 682 C GLY A 43 6.588 -2.442 -11.482 1.00 0.00 C ATOM 683 O GLY A 43 6.662 -3.608 -11.822 1.00 0.00 O ATOM 0 H GLY A 43 6.108 0.274 -12.006 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.883 -1.384 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.528 -2.281 -12.130 1.00 0.00 H new ATOM 687 N THR A 44 7.617 -1.817 -10.951 1.00 0.00 N ATOM 688 CA THR A 44 8.909 -2.532 -10.750 1.00 0.00 C ATOM 689 C THR A 44 9.268 -2.491 -9.256 1.00 0.00 C ATOM 690 O THR A 44 9.511 -1.434 -8.708 1.00 0.00 O ATOM 691 CB THR A 44 9.921 -1.754 -11.593 1.00 0.00 C ATOM 692 OG1 THR A 44 9.710 -0.359 -11.410 1.00 0.00 O ATOM 693 CG2 THR A 44 9.730 -2.116 -13.070 1.00 0.00 C ATOM 0 H THR A 44 7.611 -0.842 -10.650 1.00 0.00 H new ATOM 0 HA THR A 44 8.880 -3.581 -11.046 1.00 0.00 H new ATOM 0 HB THR A 44 10.935 -2.010 -11.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.358 0.143 -11.947 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.449 -1.564 -13.676 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.887 -3.186 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.718 -1.855 -13.381 1.00 0.00 H new ATOM 701 N VAL A 45 9.277 -3.626 -8.583 1.00 0.00 N ATOM 702 CA VAL A 45 9.591 -3.616 -7.103 1.00 0.00 C ATOM 703 C VAL A 45 10.928 -2.904 -6.827 1.00 0.00 C ATOM 704 O VAL A 45 11.064 -2.222 -5.830 1.00 0.00 O ATOM 705 CB VAL A 45 9.653 -5.088 -6.638 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.024 -5.151 -5.150 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.282 -5.750 -6.837 1.00 0.00 C ATOM 0 H VAL A 45 9.085 -4.544 -8.983 1.00 0.00 H new ATOM 0 HA VAL A 45 8.822 -3.071 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 45 10.407 -5.612 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.066 -6.192 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.998 -4.685 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.272 -4.621 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.328 -6.788 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.532 -5.217 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.011 -5.715 -7.892 1.00 0.00 H new ATOM 717 N GLU A 46 11.911 -3.049 -7.687 1.00 0.00 N ATOM 718 CA GLU A 46 13.223 -2.357 -7.421 1.00 0.00 C ATOM 719 C GLU A 46 13.026 -0.840 -7.478 1.00 0.00 C ATOM 720 O GLU A 46 13.365 -0.137 -6.544 1.00 0.00 O ATOM 721 CB GLU A 46 14.205 -2.816 -8.510 1.00 0.00 C ATOM 722 CG GLU A 46 15.640 -2.654 -8.006 1.00 0.00 C ATOM 723 CD GLU A 46 15.930 -3.713 -6.941 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.334 -4.803 -7.313 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.742 -3.417 -5.773 1.00 0.00 O ATOM 0 H GLU A 46 11.869 -3.602 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 46 13.609 -2.607 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.015 -3.857 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.059 -2.229 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.341 -2.755 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.780 -1.656 -7.590 1.00 0.00 H new ATOM 732 N SER A 47 12.463 -0.325 -8.551 1.00 0.00 N ATOM 733 CA SER A 47 12.237 1.161 -8.620 1.00 0.00 C ATOM 734 C SER A 47 11.139 1.562 -7.623 1.00 0.00 C ATOM 735 O SER A 47 11.201 2.619 -7.026 1.00 0.00 O ATOM 736 CB SER A 47 11.804 1.486 -10.055 1.00 0.00 C ATOM 737 OG SER A 47 12.217 2.807 -10.381 1.00 0.00 O ATOM 0 H SER A 47 12.156 -0.856 -9.366 1.00 0.00 H new ATOM 0 HA SER A 47 13.142 1.711 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.245 0.772 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.722 1.397 -10.150 1.00 0.00 H new ATOM 0 HG SER A 47 11.888 3.430 -9.700 1.00 0.00 H new ATOM 743 N VAL A 48 10.136 0.725 -7.423 1.00 0.00 N ATOM 744 CA VAL A 48 9.055 1.088 -6.444 1.00 0.00 C ATOM 745 C VAL A 48 9.592 0.988 -5.007 1.00 0.00 C ATOM 746 O VAL A 48 9.238 1.792 -4.164 1.00 0.00 O ATOM 747 CB VAL A 48 7.890 0.102 -6.664 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.737 0.454 -5.724 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.398 0.197 -8.112 1.00 0.00 C ATOM 0 H VAL A 48 10.023 -0.176 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 48 8.716 2.113 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 48 8.238 -0.911 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.914 -0.244 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.077 0.388 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.397 1.469 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.575 -0.501 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.055 1.212 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.214 -0.052 -8.791 1.00 0.00 H new ATOM 759 N VAL A 49 10.458 0.035 -4.717 1.00 0.00 N ATOM 760 CA VAL A 49 11.014 -0.049 -3.321 1.00 0.00 C ATOM 761 C VAL A 49 12.100 1.027 -3.154 1.00 0.00 C ATOM 762 O VAL A 49 12.204 1.646 -2.110 1.00 0.00 O ATOM 763 CB VAL A 49 11.592 -1.470 -3.151 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.316 -1.589 -1.804 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.449 -2.488 -3.192 1.00 0.00 C ATOM 0 H VAL A 49 10.796 -0.672 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 49 10.252 0.128 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 49 12.299 -1.664 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.719 -2.596 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.130 -0.865 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.614 -1.390 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.853 -3.493 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.747 -2.280 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.932 -2.416 -4.149 1.00 0.00 H new ATOM 775 N ASP A 50 12.895 1.274 -4.176 1.00 0.00 N ATOM 776 CA ASP A 50 13.950 2.339 -4.055 1.00 0.00 C ATOM 777 C ASP A 50 13.280 3.717 -3.953 1.00 0.00 C ATOM 778 O ASP A 50 13.724 4.567 -3.204 1.00 0.00 O ATOM 779 CB ASP A 50 14.818 2.258 -5.322 1.00 0.00 C ATOM 780 CG ASP A 50 16.153 2.961 -5.073 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.159 4.181 -5.032 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.147 2.269 -4.926 1.00 0.00 O ATOM 0 H ASP A 50 12.860 0.792 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 50 14.560 2.194 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.989 1.216 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.300 2.724 -6.160 1.00 0.00 H new ATOM 787 N GLU A 51 12.212 3.949 -4.696 1.00 0.00 N ATOM 788 CA GLU A 51 11.531 5.290 -4.612 1.00 0.00 C ATOM 789 C GLU A 51 10.954 5.495 -3.206 1.00 0.00 C ATOM 790 O GLU A 51 11.063 6.568 -2.643 1.00 0.00 O ATOM 791 CB GLU A 51 10.403 5.291 -5.658 1.00 0.00 C ATOM 792 CG GLU A 51 10.893 5.978 -6.934 1.00 0.00 C ATOM 793 CD GLU A 51 12.034 5.169 -7.554 1.00 0.00 C ATOM 794 OE1 GLU A 51 13.080 5.084 -6.932 1.00 0.00 O ATOM 795 OE2 GLU A 51 11.842 4.650 -8.641 1.00 0.00 O ATOM 0 H GLU A 51 11.791 3.282 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 51 12.235 6.099 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.095 4.269 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.529 5.810 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.073 6.071 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.233 6.988 -6.706 1.00 0.00 H new ATOM 802 N LEU A 52 10.360 4.475 -2.624 1.00 0.00 N ATOM 803 CA LEU A 52 9.805 4.639 -1.237 1.00 0.00 C ATOM 804 C LEU A 52 10.965 4.712 -0.240 1.00 0.00 C ATOM 805 O LEU A 52 10.941 5.503 0.681 1.00 0.00 O ATOM 806 CB LEU A 52 8.924 3.413 -0.953 1.00 0.00 C ATOM 807 CG LEU A 52 7.731 3.409 -1.909 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.038 2.047 -1.853 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.742 4.503 -1.495 1.00 0.00 C ATOM 0 H LEU A 52 10.237 3.552 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 52 9.217 5.552 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.505 2.499 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.576 3.434 0.080 1.00 0.00 H new ATOM 0 HG LEU A 52 8.078 3.598 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.187 2.043 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.742 1.268 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.690 1.857 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.891 4.501 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.394 4.314 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.236 5.474 -1.534 1.00 0.00 H new ATOM 821 N ALA A 53 11.993 3.908 -0.426 1.00 0.00 N ATOM 822 CA ALA A 53 13.161 3.972 0.520 1.00 0.00 C ATOM 823 C ALA A 53 13.831 5.351 0.416 1.00 0.00 C ATOM 824 O ALA A 53 14.260 5.907 1.409 1.00 0.00 O ATOM 825 CB ALA A 53 14.143 2.868 0.094 1.00 0.00 C ATOM 0 H ALA A 53 12.074 3.223 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 53 12.845 3.827 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.010 2.877 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.649 1.898 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.467 3.045 -0.931 1.00 0.00 H new ATOM 831 N SER A 54 13.920 5.915 -0.775 1.00 0.00 N ATOM 832 CA SER A 54 14.566 7.273 -0.912 1.00 0.00 C ATOM 833 C SER A 54 13.834 8.306 -0.036 1.00 0.00 C ATOM 834 O SER A 54 14.452 9.203 0.508 1.00 0.00 O ATOM 835 CB SER A 54 14.460 7.668 -2.392 1.00 0.00 C ATOM 836 OG SER A 54 14.750 9.053 -2.530 1.00 0.00 O ATOM 0 H SER A 54 13.580 5.503 -1.644 1.00 0.00 H new ATOM 0 HA SER A 54 15.606 7.242 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.156 7.078 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.459 7.455 -2.766 1.00 0.00 H new ATOM 0 HG SER A 54 14.685 9.308 -3.474 1.00 0.00 H new ATOM 842 N LEU A 55 12.529 8.191 0.109 1.00 0.00 N ATOM 843 CA LEU A 55 11.783 9.180 0.963 1.00 0.00 C ATOM 844 C LEU A 55 11.555 8.597 2.366 1.00 0.00 C ATOM 845 O LEU A 55 11.720 9.281 3.359 1.00 0.00 O ATOM 846 CB LEU A 55 10.440 9.424 0.260 1.00 0.00 C ATOM 847 CG LEU A 55 10.525 10.698 -0.581 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.355 10.740 -1.564 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.461 11.920 0.339 1.00 0.00 C ATOM 0 H LEU A 55 11.955 7.465 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 55 12.341 10.109 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.190 8.573 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.643 9.516 0.998 1.00 0.00 H new ATOM 0 HG LEU A 55 11.464 10.706 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.416 11.648 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.398 9.870 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.415 10.732 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.522 12.829 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.521 11.911 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.295 11.891 1.041 1.00 0.00 H new ATOM 861 N PHE A 56 11.185 7.340 2.456 1.00 0.00 N ATOM 862 CA PHE A 56 10.957 6.715 3.796 1.00 0.00 C ATOM 863 C PHE A 56 12.114 5.759 4.117 1.00 0.00 C ATOM 864 O PHE A 56 11.969 4.554 4.030 1.00 0.00 O ATOM 865 CB PHE A 56 9.632 5.947 3.681 1.00 0.00 C ATOM 866 CG PHE A 56 8.530 6.893 3.261 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.082 7.883 4.142 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.962 6.782 1.985 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.068 8.764 3.748 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.949 7.662 1.591 1.00 0.00 C ATOM 871 CZ PHE A 56 6.501 8.654 2.472 1.00 0.00 C ATOM 0 H PHE A 56 11.032 6.722 1.659 1.00 0.00 H new ATOM 0 HA PHE A 56 10.911 7.455 4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.730 5.141 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.384 5.485 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.518 7.968 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.307 6.017 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.723 9.529 4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.512 7.576 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.719 9.334 2.168 1.00 0.00 H new ATOM 881 N ASP A 57 13.264 6.284 4.494 1.00 0.00 N ATOM 882 CA ASP A 57 14.423 5.386 4.826 1.00 0.00 C ATOM 883 C ASP A 57 14.554 5.180 6.352 1.00 0.00 C ATOM 884 O ASP A 57 15.632 4.900 6.844 1.00 0.00 O ATOM 885 CB ASP A 57 15.680 6.077 4.256 1.00 0.00 C ATOM 886 CG ASP A 57 15.958 7.393 4.997 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.159 8.306 4.862 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.962 7.461 5.684 1.00 0.00 O ATOM 0 H ASP A 57 13.447 7.283 4.585 1.00 0.00 H new ATOM 0 HA ASP A 57 14.284 4.395 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.540 5.413 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.542 6.274 3.193 1.00 0.00 H new ATOM 893 N SER A 58 13.474 5.298 7.104 1.00 0.00 N ATOM 894 CA SER A 58 13.571 5.084 8.589 1.00 0.00 C ATOM 895 C SER A 58 13.198 3.635 8.953 1.00 0.00 C ATOM 896 O SER A 58 13.728 3.079 9.898 1.00 0.00 O ATOM 897 CB SER A 58 12.585 6.069 9.226 1.00 0.00 C ATOM 898 OG SER A 58 12.489 5.803 10.620 1.00 0.00 O ATOM 0 H SER A 58 12.543 5.530 6.757 1.00 0.00 H new ATOM 0 HA SER A 58 14.587 5.251 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.919 7.093 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.605 5.975 8.758 1.00 0.00 H new ATOM 0 HG SER A 58 11.860 6.433 11.031 1.00 0.00 H new ATOM 904 N VAL A 59 12.298 3.010 8.214 1.00 0.00 N ATOM 905 CA VAL A 59 11.918 1.594 8.538 1.00 0.00 C ATOM 906 C VAL A 59 12.681 0.613 7.630 1.00 0.00 C ATOM 907 O VAL A 59 13.093 0.966 6.541 1.00 0.00 O ATOM 908 CB VAL A 59 10.394 1.491 8.321 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.030 1.707 6.844 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.920 0.105 8.759 1.00 0.00 C ATOM 0 H VAL A 59 11.818 3.417 7.411 1.00 0.00 H new ATOM 0 HA VAL A 59 12.177 1.335 9.565 1.00 0.00 H new ATOM 0 HB VAL A 59 9.906 2.265 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.950 1.629 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.361 2.697 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.521 0.949 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.843 0.024 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.427 -0.657 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.151 -0.042 9.814 1.00 0.00 H new ATOM 920 N SER A 60 12.881 -0.610 8.074 1.00 0.00 N ATOM 921 CA SER A 60 13.637 -1.607 7.227 1.00 0.00 C ATOM 922 C SER A 60 12.995 -1.744 5.833 1.00 0.00 C ATOM 923 O SER A 60 11.795 -1.614 5.685 1.00 0.00 O ATOM 924 CB SER A 60 13.571 -2.953 7.964 1.00 0.00 C ATOM 925 OG SER A 60 14.572 -2.984 8.974 1.00 0.00 O ATOM 0 H SER A 60 12.559 -0.962 8.976 1.00 0.00 H new ATOM 0 HA SER A 60 14.666 -1.280 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.585 -3.090 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.721 -3.773 7.262 1.00 0.00 H new ATOM 0 HG SER A 60 14.532 -3.841 9.448 1.00 0.00 H new ATOM 931 N ARG A 61 13.787 -2.013 4.810 1.00 0.00 N ATOM 932 CA ARG A 61 13.211 -2.164 3.422 1.00 0.00 C ATOM 933 C ARG A 61 12.079 -3.206 3.406 1.00 0.00 C ATOM 934 O ARG A 61 11.143 -3.089 2.638 1.00 0.00 O ATOM 935 CB ARG A 61 14.361 -2.633 2.513 1.00 0.00 C ATOM 936 CG ARG A 61 15.026 -1.419 1.863 1.00 0.00 C ATOM 937 CD ARG A 61 16.230 -0.983 2.702 1.00 0.00 C ATOM 938 NE ARG A 61 17.120 -0.262 1.751 1.00 0.00 N ATOM 939 CZ ARG A 61 18.160 -0.866 1.246 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.009 -1.717 0.268 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.352 -0.619 1.717 1.00 0.00 N ATOM 0 H ARG A 61 14.798 -2.134 4.874 1.00 0.00 H new ATOM 0 HA ARG A 61 12.790 -1.218 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.093 -3.194 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.980 -3.307 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.346 -1.665 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.311 -0.600 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.925 -0.336 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.736 -1.842 3.143 1.00 0.00 H new ATOM 0 HE ARG A 61 16.917 0.704 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.078 -1.910 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.822 -2.189 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.471 0.047 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.165 -1.092 1.322 1.00 0.00 H new ATOM 955 N ASP A 62 12.150 -4.227 4.241 1.00 0.00 N ATOM 956 CA ASP A 62 11.055 -5.268 4.246 1.00 0.00 C ATOM 957 C ASP A 62 9.684 -4.604 4.455 1.00 0.00 C ATOM 958 O ASP A 62 8.701 -5.016 3.867 1.00 0.00 O ATOM 959 CB ASP A 62 11.357 -6.229 5.406 1.00 0.00 C ATOM 960 CG ASP A 62 10.640 -7.559 5.167 1.00 0.00 C ATOM 961 OD1 ASP A 62 9.455 -7.629 5.447 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.288 -8.485 4.709 1.00 0.00 O ATOM 0 H ASP A 62 12.905 -4.384 4.909 1.00 0.00 H new ATOM 0 HA ASP A 62 11.023 -5.799 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.432 -6.392 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.030 -5.792 6.349 1.00 0.00 H new ATOM 967 N THR A 63 9.610 -3.574 5.273 1.00 0.00 N ATOM 968 CA THR A 63 8.283 -2.894 5.483 1.00 0.00 C ATOM 969 C THR A 63 7.881 -2.167 4.192 1.00 0.00 C ATOM 970 O THR A 63 6.736 -2.222 3.779 1.00 0.00 O ATOM 971 CB THR A 63 8.468 -1.896 6.645 1.00 0.00 C ATOM 972 OG1 THR A 63 8.768 -2.612 7.838 1.00 0.00 O ATOM 973 CG2 THR A 63 7.180 -1.092 6.852 1.00 0.00 C ATOM 0 H THR A 63 10.393 -3.181 5.795 1.00 0.00 H new ATOM 0 HA THR A 63 7.495 -3.607 5.725 1.00 0.00 H new ATOM 0 HB THR A 63 9.285 -1.215 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.296 -2.202 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.318 -0.389 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.944 -0.543 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.361 -1.771 7.089 1.00 0.00 H new ATOM 981 N LEU A 64 8.812 -1.503 3.540 1.00 0.00 N ATOM 982 CA LEU A 64 8.457 -0.797 2.260 1.00 0.00 C ATOM 983 C LEU A 64 8.158 -1.846 1.185 1.00 0.00 C ATOM 984 O LEU A 64 7.186 -1.738 0.462 1.00 0.00 O ATOM 985 CB LEU A 64 9.679 0.047 1.854 1.00 0.00 C ATOM 986 CG LEU A 64 10.021 1.055 2.968 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.428 0.774 3.507 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.971 2.483 2.407 1.00 0.00 C ATOM 0 H LEU A 64 9.786 -1.419 3.832 1.00 0.00 H new ATOM 0 HA LEU A 64 7.580 -0.160 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.534 -0.603 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.472 0.577 0.924 1.00 0.00 H new ATOM 0 HG LEU A 64 9.295 0.954 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.666 1.489 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.467 -0.237 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.153 0.870 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.213 3.193 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.694 2.581 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.970 2.690 2.028 1.00 0.00 H new ATOM 1000 N ALA A 65 8.978 -2.871 1.086 1.00 0.00 N ATOM 1001 CA ALA A 65 8.712 -3.939 0.056 1.00 0.00 C ATOM 1002 C ALA A 65 7.356 -4.606 0.337 1.00 0.00 C ATOM 1003 O ALA A 65 6.632 -4.947 -0.580 1.00 0.00 O ATOM 1004 CB ALA A 65 9.848 -4.968 0.178 1.00 0.00 C ATOM 0 H ALA A 65 9.807 -3.015 1.662 1.00 0.00 H new ATOM 0 HA ALA A 65 8.677 -3.519 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.698 -5.764 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.804 -4.479 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.849 -5.392 1.182 1.00 0.00 H new ATOM 1010 N ASN A 66 7.000 -4.794 1.595 1.00 0.00 N ATOM 1011 CA ASN A 66 5.675 -5.444 1.904 1.00 0.00 C ATOM 1012 C ASN A 66 4.531 -4.597 1.329 1.00 0.00 C ATOM 1013 O ASN A 66 3.598 -5.127 0.756 1.00 0.00 O ATOM 1014 CB ASN A 66 5.561 -5.519 3.435 1.00 0.00 C ATOM 1015 CG ASN A 66 6.176 -6.833 3.931 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.301 -7.150 3.596 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.486 -7.623 4.719 1.00 0.00 N ATOM 0 H ASN A 66 7.558 -4.531 2.407 1.00 0.00 H new ATOM 0 HA ASN A 66 5.612 -6.438 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.073 -4.671 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.515 -5.459 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.894 -8.498 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.542 -7.362 5.003 1.00 0.00 H new ATOM 1024 N VAL A 67 4.594 -3.284 1.461 1.00 0.00 N ATOM 1025 CA VAL A 67 3.491 -2.432 0.889 1.00 0.00 C ATOM 1026 C VAL A 67 3.585 -2.431 -0.649 1.00 0.00 C ATOM 1027 O VAL A 67 2.577 -2.425 -1.331 1.00 0.00 O ATOM 1028 CB VAL A 67 3.676 -1.016 1.455 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.571 -0.104 0.919 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.590 -1.067 2.985 1.00 0.00 C ATOM 0 H VAL A 67 5.344 -2.776 1.929 1.00 0.00 H new ATOM 0 HA VAL A 67 2.507 -2.816 1.158 1.00 0.00 H new ATOM 0 HB VAL A 67 4.649 -0.628 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.702 0.901 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.623 -0.070 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.599 -0.492 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.721 -0.064 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.615 -1.454 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.373 -1.720 3.372 1.00 0.00 H new ATOM 1040 N VAL A 68 4.779 -2.463 -1.207 1.00 0.00 N ATOM 1041 CA VAL A 68 4.896 -2.501 -2.708 1.00 0.00 C ATOM 1042 C VAL A 68 4.441 -3.884 -3.208 1.00 0.00 C ATOM 1043 O VAL A 68 3.814 -3.991 -4.245 1.00 0.00 O ATOM 1044 CB VAL A 68 6.383 -2.259 -3.036 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.616 -2.385 -4.544 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.778 -0.854 -2.580 1.00 0.00 C ATOM 0 H VAL A 68 5.663 -2.464 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 68 4.274 -1.747 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 68 6.989 -3.002 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.669 -2.212 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.335 -3.386 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.009 -1.647 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.829 -0.679 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.165 -0.117 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.622 -0.763 -1.505 1.00 0.00 H new ATOM 1056 N GLN A 69 4.746 -4.948 -2.481 1.00 0.00 N ATOM 1057 CA GLN A 69 4.312 -6.315 -2.943 1.00 0.00 C ATOM 1058 C GLN A 69 2.781 -6.409 -2.962 1.00 0.00 C ATOM 1059 O GLN A 69 2.210 -6.971 -3.879 1.00 0.00 O ATOM 1060 CB GLN A 69 4.894 -7.330 -1.947 1.00 0.00 C ATOM 1061 CG GLN A 69 4.725 -8.745 -2.504 1.00 0.00 C ATOM 1062 CD GLN A 69 5.867 -9.635 -1.999 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.640 -10.551 -1.234 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.097 -9.408 -2.393 1.00 0.00 N ATOM 0 H GLN A 69 5.267 -4.928 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 69 4.667 -6.514 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.949 -7.120 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.388 -7.243 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.765 -9.157 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.724 -8.720 -3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.293 -8.640 -3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.857 -9.999 -2.057 1.00 0.00 H new ATOM 1073 N THR A 70 2.104 -5.866 -1.969 1.00 0.00 N ATOM 1074 CA THR A 70 0.599 -5.948 -1.978 1.00 0.00 C ATOM 1075 C THR A 70 0.023 -5.135 -3.151 1.00 0.00 C ATOM 1076 O THR A 70 -1.021 -5.477 -3.675 1.00 0.00 O ATOM 1077 CB THR A 70 0.089 -5.413 -0.624 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.328 -5.509 -0.588 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.501 -3.955 -0.434 1.00 0.00 C ATOM 0 H THR A 70 2.515 -5.381 -1.171 1.00 0.00 H new ATOM 0 HA THR A 70 0.273 -6.979 -2.113 1.00 0.00 H new ATOM 0 HB THR A 70 0.526 -6.008 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.657 -5.172 0.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.132 -3.595 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.588 -3.878 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.077 -3.350 -1.235 1.00 0.00 H new ATOM 1087 N ALA A 71 0.690 -4.081 -3.592 1.00 0.00 N ATOM 1088 CA ALA A 71 0.142 -3.301 -4.760 1.00 0.00 C ATOM 1089 C ALA A 71 0.191 -4.186 -6.013 1.00 0.00 C ATOM 1090 O ALA A 71 -0.738 -4.200 -6.800 1.00 0.00 O ATOM 1091 CB ALA A 71 1.036 -2.062 -4.943 1.00 0.00 C ATOM 0 H ALA A 71 1.568 -3.735 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.890 -2.996 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.670 -1.470 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.012 -1.459 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.060 -2.378 -5.141 1.00 0.00 H new ATOM 1097 N PHE A 72 1.259 -4.943 -6.201 1.00 0.00 N ATOM 1098 CA PHE A 72 1.328 -5.841 -7.408 1.00 0.00 C ATOM 1099 C PHE A 72 0.233 -6.905 -7.295 1.00 0.00 C ATOM 1100 O PHE A 72 -0.594 -7.042 -8.178 1.00 0.00 O ATOM 1101 CB PHE A 72 2.718 -6.495 -7.399 1.00 0.00 C ATOM 1102 CG PHE A 72 3.737 -5.488 -7.864 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.769 -5.104 -9.207 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.643 -4.930 -6.953 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.705 -4.162 -9.642 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.580 -3.988 -7.391 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.611 -3.603 -8.732 1.00 0.00 C ATOM 0 H PHE A 72 2.070 -4.977 -5.583 1.00 0.00 H new ATOM 0 HA PHE A 72 1.177 -5.289 -8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.964 -6.843 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.727 -7.369 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.070 -5.535 -9.909 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.618 -5.226 -5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.730 -3.865 -10.680 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.280 -3.558 -6.690 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.334 -2.874 -9.068 1.00 0.00 H new ATOM 1117 N PHE A 73 0.199 -7.644 -6.203 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.883 -8.679 -6.044 1.00 0.00 C ATOM 1119 C PHE A 73 -2.253 -7.980 -6.056 1.00 0.00 C ATOM 1120 O PHE A 73 -3.205 -8.490 -6.616 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.650 -9.367 -4.689 1.00 0.00 C ATOM 1122 CG PHE A 73 0.472 -10.369 -4.820 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.329 -11.473 -5.668 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.656 -10.193 -4.093 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.370 -12.402 -5.790 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.696 -11.122 -4.214 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.554 -12.226 -5.063 1.00 0.00 C ATOM 0 H PHE A 73 0.860 -7.578 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.861 -9.410 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.402 -8.625 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.562 -9.866 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.584 -11.609 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.767 -9.341 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.260 -13.254 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.608 -10.987 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.357 -12.942 -5.157 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.360 -6.807 -5.452 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.680 -6.086 -5.456 1.00 0.00 C ATOM 1139 C ALA A 74 -4.088 -5.763 -6.897 1.00 0.00 C ATOM 1140 O ALA A 74 -5.241 -5.895 -7.256 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.488 -4.788 -4.656 1.00 0.00 C ATOM 0 H ALA A 74 -1.602 -6.328 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.464 -6.699 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.425 -4.232 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.185 -5.030 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.717 -4.180 -5.129 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.157 -5.342 -7.733 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.539 -5.020 -9.160 1.00 0.00 C ATOM 1149 C LEU A 75 -4.136 -6.263 -9.837 1.00 0.00 C ATOM 1150 O LEU A 75 -5.101 -6.162 -10.573 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.258 -4.578 -9.895 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.262 -3.058 -10.062 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.879 -2.593 -10.524 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.308 -2.665 -11.110 1.00 0.00 C ATOM 0 H LEU A 75 -2.173 -5.209 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.287 -4.228 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.378 -4.890 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.201 -5.061 -10.870 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.505 -2.587 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.881 -1.510 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.133 -2.875 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.637 -3.063 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.313 -1.582 -11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.063 -3.135 -12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.293 -2.998 -10.783 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.585 -7.432 -9.591 1.00 0.00 N ATOM 1167 CA GLU A 76 -4.157 -8.670 -10.230 1.00 0.00 C ATOM 1168 C GLU A 76 -5.496 -9.008 -9.567 1.00 0.00 C ATOM 1169 O GLU A 76 -6.456 -9.338 -10.237 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.141 -9.800 -10.008 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.038 -9.711 -11.064 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.170 -10.969 -11.004 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.624 -11.239 -9.946 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.066 -11.643 -12.016 1.00 0.00 O ATOM 0 H GLU A 76 -2.778 -7.584 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.335 -8.527 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.710 -9.725 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.639 -10.768 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.477 -9.607 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.426 -8.826 -10.892 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.576 -8.910 -8.257 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.882 -9.210 -7.570 1.00 0.00 C ATOM 1183 C ALA A 77 -7.910 -8.128 -7.933 1.00 0.00 C ATOM 1184 O ALA A 77 -9.075 -8.421 -8.125 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.607 -9.203 -6.059 1.00 0.00 C ATOM 0 H ALA A 77 -4.809 -8.640 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.283 -10.175 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.530 -9.417 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.863 -9.964 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.232 -8.224 -5.762 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.490 -6.881 -8.044 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.469 -5.800 -8.415 1.00 0.00 C ATOM 1193 C LEU A 78 -9.076 -6.098 -9.796 1.00 0.00 C ATOM 1194 O LEU A 78 -10.242 -5.835 -10.029 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.684 -4.479 -8.455 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.661 -3.304 -8.514 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.450 -3.225 -7.206 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.880 -2.002 -8.718 1.00 0.00 C ATOM 0 H LEU A 78 -6.530 -6.571 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.285 -5.744 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.050 -4.394 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.025 -4.462 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.352 -3.449 -9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.145 -2.387 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.006 -4.151 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.761 -3.081 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.575 -1.164 -8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.189 -1.859 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.320 -2.056 -9.651 1.00 0.00 H new ATOM 1210 N GLN A 79 -8.304 -6.652 -10.718 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.874 -6.963 -12.080 1.00 0.00 C ATOM 1212 C GLN A 79 -10.109 -7.875 -11.954 1.00 0.00 C ATOM 1213 O GLN A 79 -11.033 -7.774 -12.738 1.00 0.00 O ATOM 1214 CB GLN A 79 -7.770 -7.682 -12.871 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.764 -6.654 -13.395 1.00 0.00 C ATOM 1216 CD GLN A 79 -5.407 -7.333 -13.618 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.353 -8.493 -13.974 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -4.299 -6.661 -13.424 1.00 0.00 N ATOM 0 H GLN A 79 -7.322 -6.898 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.189 -6.049 -12.583 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.265 -8.408 -12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.206 -8.236 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.123 -6.221 -14.328 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.660 -5.835 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.339 -5.687 -13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.396 -7.112 -13.572 1.00 0.00 H new ATOM 1227 N GLN A 80 -10.138 -8.762 -10.977 1.00 0.00 N ATOM 1228 CA GLN A 80 -11.327 -9.664 -10.825 1.00 0.00 C ATOM 1229 C GLN A 80 -12.223 -9.180 -9.675 1.00 0.00 C ATOM 1230 O GLN A 80 -13.382 -8.872 -9.880 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.757 -11.056 -10.520 1.00 0.00 C ATOM 1232 CG GLN A 80 -11.904 -12.065 -10.420 1.00 0.00 C ATOM 1233 CD GLN A 80 -11.331 -13.469 -10.184 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.479 -13.650 -9.337 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -11.761 -14.480 -10.899 1.00 0.00 N ATOM 0 H GLN A 80 -9.398 -8.897 -10.288 1.00 0.00 H new ATOM 0 HA GLN A 80 -11.944 -9.674 -11.724 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.062 -11.356 -11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.195 -11.034 -9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -12.573 -11.792 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.496 -12.051 -11.335 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.476 -14.333 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.380 -15.413 -10.743 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.699 -9.105 -8.471 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.531 -8.637 -7.320 1.00 0.00 C ATOM 1246 C GLY A 81 -12.967 -7.186 -7.568 1.00 0.00 C ATOM 1247 O GLY A 81 -14.113 -6.834 -7.360 1.00 0.00 O ATOM 0 H GLY A 81 -10.736 -9.347 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.406 -9.277 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.961 -8.705 -6.393 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.064 -6.336 -8.023 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.425 -4.905 -8.298 1.00 0.00 C ATOM 1253 C GLU A 82 -13.141 -4.258 -7.103 1.00 0.00 C ATOM 1254 O GLU A 82 -14.024 -3.439 -7.277 1.00 0.00 O ATOM 1255 CB GLU A 82 -13.359 -4.959 -9.496 1.00 0.00 C ATOM 1256 CG GLU A 82 -13.115 -3.748 -10.398 1.00 0.00 C ATOM 1257 CD GLU A 82 -14.419 -3.358 -11.095 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -14.898 -4.143 -11.897 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -14.918 -2.281 -10.814 1.00 0.00 O ATOM 0 H GLU A 82 -11.092 -6.577 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.535 -4.304 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.195 -5.880 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.396 -4.971 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.742 -2.911 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.350 -3.982 -11.139 1.00 0.00 H new ATOM 1266 N SER A 83 -12.764 -4.609 -5.900 1.00 0.00 N ATOM 1267 CA SER A 83 -13.424 -3.999 -4.704 1.00 0.00 C ATOM 1268 C SER A 83 -12.386 -3.624 -3.639 1.00 0.00 C ATOM 1269 O SER A 83 -11.703 -4.476 -3.103 1.00 0.00 O ATOM 1270 CB SER A 83 -14.364 -5.065 -4.151 1.00 0.00 C ATOM 1271 OG SER A 83 -15.428 -5.279 -5.069 1.00 0.00 O ATOM 0 H SER A 83 -12.031 -5.288 -5.694 1.00 0.00 H new ATOM 0 HA SER A 83 -13.955 -3.087 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.820 -5.995 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.760 -4.751 -3.185 1.00 0.00 H new ATOM 0 HG SER A 83 -15.095 -5.775 -5.846 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.279 -2.355 -3.310 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.297 -1.934 -2.252 1.00 0.00 C ATOM 1279 C ALA A 84 -11.987 -1.837 -0.873 1.00 0.00 C ATOM 1280 O ALA A 84 -11.336 -1.967 0.148 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.776 -0.557 -2.680 1.00 0.00 C ATOM 0 H ALA A 84 -12.823 -1.598 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.488 -2.659 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.055 -0.197 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.294 -0.637 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.609 0.143 -2.744 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.289 -1.603 -0.823 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.978 -1.495 0.516 1.00 0.00 C ATOM 1289 C GLU A 85 -13.820 -2.799 1.314 1.00 0.00 C ATOM 1290 O GLU A 85 -13.659 -2.768 2.520 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.466 -1.230 0.231 1.00 0.00 C ATOM 1292 CG GLU A 85 -16.166 -0.806 1.523 1.00 0.00 C ATOM 1293 CD GLU A 85 -17.642 -1.204 1.458 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.913 -2.349 1.136 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -18.475 -0.356 1.733 1.00 0.00 O ATOM 0 H GLU A 85 -13.893 -1.484 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.540 -0.693 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.569 -0.450 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.935 -2.128 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.688 -1.280 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.075 0.271 1.662 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.868 -3.944 0.663 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.719 -5.243 1.422 1.00 0.00 C ATOM 1304 C ASN A 86 -12.395 -5.249 2.197 1.00 0.00 C ATOM 1305 O ASN A 86 -12.344 -5.689 3.331 1.00 0.00 O ATOM 1306 CB ASN A 86 -13.730 -6.373 0.381 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.166 -6.613 -0.100 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.108 -6.333 0.614 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.382 -7.123 -1.288 1.00 0.00 N ATOM 0 H ASN A 86 -14.001 -4.039 -0.344 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.527 -5.371 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.092 -6.110 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.324 -7.286 0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.337 -7.283 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.595 -7.360 -1.892 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.329 -4.749 1.609 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.023 -4.722 2.352 1.00 0.00 C ATOM 1318 C ILE A 87 -10.118 -3.725 3.524 1.00 0.00 C ATOM 1319 O ILE A 87 -9.562 -3.961 4.581 1.00 0.00 O ATOM 1320 CB ILE A 87 -8.944 -4.281 1.346 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -8.902 -5.273 0.167 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.582 -4.257 2.044 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.359 -4.576 -1.116 1.00 0.00 C ATOM 0 H ILE A 87 -11.305 -4.365 0.664 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.777 -5.700 2.766 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.180 -3.285 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.890 -5.659 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.546 -6.127 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.815 -3.945 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.613 -3.555 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.347 -5.254 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.327 -5.283 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.378 -4.212 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.698 -3.736 -1.329 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.824 -2.620 3.356 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.943 -1.635 4.494 1.00 0.00 C ATOM 1337 C VAL A 88 -11.657 -2.290 5.686 1.00 0.00 C ATOM 1338 O VAL A 88 -11.327 -2.020 6.826 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.759 -0.438 3.975 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.898 0.612 5.081 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -11.037 0.187 2.781 1.00 0.00 C ATOM 0 H VAL A 88 -11.313 -2.361 2.499 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.959 -1.312 4.832 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.748 -0.782 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.476 1.458 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.408 0.172 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.909 0.954 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.613 1.035 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.049 0.527 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.934 -0.555 1.989 1.00 0.00 H new ATOM 1351 N SER A 89 -12.631 -3.153 5.447 1.00 0.00 N ATOM 1352 CA SER A 89 -13.343 -3.814 6.606 1.00 0.00 C ATOM 1353 C SER A 89 -12.313 -4.491 7.522 1.00 0.00 C ATOM 1354 O SER A 89 -12.398 -4.398 8.732 1.00 0.00 O ATOM 1355 CB SER A 89 -14.292 -4.863 6.008 1.00 0.00 C ATOM 1356 OG SER A 89 -14.566 -5.860 6.983 1.00 0.00 O ATOM 0 H SER A 89 -12.959 -3.424 4.520 1.00 0.00 H new ATOM 0 HA SER A 89 -13.898 -3.086 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.219 -4.389 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.842 -5.316 5.125 1.00 0.00 H new ATOM 0 HG SER A 89 -15.173 -6.530 6.604 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.322 -5.147 6.952 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.272 -5.797 7.814 1.00 0.00 C ATOM 1364 C LYS A 90 -9.397 -4.711 8.459 1.00 0.00 C ATOM 1365 O LYS A 90 -8.997 -4.839 9.601 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.428 -6.693 6.895 1.00 0.00 C ATOM 1367 CG LYS A 90 -8.994 -7.945 7.659 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.193 -8.879 7.832 1.00 0.00 C ATOM 1369 CE LYS A 90 -10.035 -9.680 9.127 1.00 0.00 C ATOM 1370 NZ LYS A 90 -9.289 -10.907 8.730 1.00 0.00 N ATOM 0 H LYS A 90 -11.195 -5.260 5.946 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.721 -6.388 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.005 -6.974 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.553 -6.148 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.197 -8.456 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.592 -7.668 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.117 -8.301 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.266 -9.555 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.488 -9.111 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.005 -9.929 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.141 -11.509 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.837 -11.431 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.368 -10.639 8.329 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.110 -3.635 7.750 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.273 -2.548 8.366 1.00 0.00 C ATOM 1386 C ILE A 91 -9.082 -1.825 9.452 1.00 0.00 C ATOM 1387 O ILE A 91 -8.545 -1.459 10.479 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.887 -1.581 7.226 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.054 -2.326 6.170 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -7.064 -0.417 7.786 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.815 -2.957 6.823 1.00 0.00 C ATOM 0 H ILE A 91 -9.413 -3.466 6.791 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.377 -2.950 8.839 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.798 -1.196 6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.659 -3.100 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.748 -1.636 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.795 0.261 6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.653 0.121 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.157 -0.803 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.232 -3.482 6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.204 -2.175 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.129 -3.662 7.593 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.368 -1.624 9.245 1.00 0.00 N ATOM 1404 CA ARG A 92 -11.184 -0.929 10.304 1.00 0.00 C ATOM 1405 C ARG A 92 -11.161 -1.751 11.600 1.00 0.00 C ATOM 1406 O ARG A 92 -11.086 -1.197 12.682 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.620 -0.815 9.766 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.721 0.392 8.831 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.016 1.650 9.651 1.00 0.00 C ATOM 1410 NE ARG A 92 -12.653 2.784 8.757 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.438 3.112 7.768 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -14.683 3.425 8.000 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -12.977 3.128 6.547 1.00 0.00 N ATOM 0 H ARG A 92 -10.880 -1.904 8.408 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.780 0.059 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.893 -1.725 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.322 -0.707 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.790 0.516 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.510 0.231 8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.066 1.696 9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.431 1.669 10.570 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.791 3.304 8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.042 3.413 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.297 3.682 7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.003 2.884 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.591 3.384 5.774 1.00 0.00 H new ATOM 1427 N MET A 93 -11.205 -3.066 11.508 1.00 0.00 N ATOM 1428 CA MET A 93 -11.160 -3.893 12.763 1.00 0.00 C ATOM 1429 C MET A 93 -9.726 -3.910 13.310 1.00 0.00 C ATOM 1430 O MET A 93 -9.518 -3.831 14.506 1.00 0.00 O ATOM 1431 CB MET A 93 -11.609 -5.313 12.378 1.00 0.00 C ATOM 1432 CG MET A 93 -12.135 -6.035 13.619 1.00 0.00 C ATOM 1433 SD MET A 93 -13.703 -5.293 14.132 1.00 0.00 S ATOM 1434 CE MET A 93 -14.563 -6.833 14.535 1.00 0.00 C ATOM 0 H MET A 93 -11.269 -3.592 10.637 1.00 0.00 H new ATOM 0 HA MET A 93 -11.810 -3.485 13.537 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.386 -5.266 11.615 1.00 0.00 H new ATOM 0 HB3 MET A 93 -10.774 -5.866 11.949 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.275 -7.094 13.404 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.407 -5.968 14.428 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.572 -6.607 14.881 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.616 -7.463 13.647 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.020 -7.358 15.320 1.00 0.00 H new ATOM 1444 N MET A 94 -8.735 -3.991 12.445 1.00 0.00 N ATOM 1445 CA MET A 94 -7.314 -3.987 12.943 1.00 0.00 C ATOM 1446 C MET A 94 -6.943 -2.584 13.448 1.00 0.00 C ATOM 1447 O MET A 94 -6.213 -2.449 14.413 1.00 0.00 O ATOM 1448 CB MET A 94 -6.423 -4.382 11.754 1.00 0.00 C ATOM 1449 CG MET A 94 -6.573 -5.878 11.478 1.00 0.00 C ATOM 1450 SD MET A 94 -5.499 -6.809 12.600 1.00 0.00 S ATOM 1451 CE MET A 94 -3.935 -6.456 11.760 1.00 0.00 C ATOM 0 H MET A 94 -8.844 -4.059 11.433 1.00 0.00 H new ATOM 0 HA MET A 94 -7.183 -4.684 13.770 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.703 -3.809 10.870 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.382 -4.144 11.972 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.611 -6.182 11.615 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.311 -6.096 10.443 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.466 -7.392 11.455 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.125 -5.842 10.880 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.270 -5.921 12.438 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.443 -1.535 12.819 1.00 0.00 N ATOM 1462 CA ASN A 95 -7.105 -0.151 13.308 1.00 0.00 C ATOM 1463 C ASN A 95 -7.814 0.119 14.643 1.00 0.00 C ATOM 1464 O ASN A 95 -7.261 0.761 15.517 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.583 0.843 12.234 1.00 0.00 C ATOM 1466 CG ASN A 95 -6.435 1.139 11.259 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.940 0.177 10.516 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.979 2.261 11.171 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.057 -1.576 12.006 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.033 -0.046 13.472 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.435 0.429 11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.922 1.766 12.704 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.360 3.013 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.215 2.452 10.522 1.00 0.00 H new