USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 MET CE :methyl 155:sc= -2.53 (180deg=-0.0732) USER MOD Set 1.2: A 71 GLN : amide:sc= -3.26 K(o=-5.8,f=-8.6!) USER MOD Set 2.1: A 61 SER OG : rot -64:sc= 2.18 USER MOD Set 2.2: A 82 TYR OH : rot 71:sc= 1.17 USER MOD Single : A 12 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= -0.124 (180deg=-0.566) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -164:sc= -0.0162 (180deg=-0.455) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.822 K(o=-0.82,f=-2.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.16) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.378 USER MOD Single : A 81 SER OG : rot 21:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.871 7.851 0.911 1.00 0.00 N ATOM 60 CA GLY A 7 -0.797 7.290 1.710 1.00 0.00 C ATOM 61 C GLY A 7 -1.309 6.535 2.921 1.00 0.00 C ATOM 62 O GLY A 7 -2.134 7.049 3.677 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.201 6.618 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.136 8.092 2.038 1.00 0.00 H new ATOM 66 N ILE A 8 -0.820 5.314 3.105 1.00 0.00 N ATOM 67 CA ILE A 8 -1.234 4.487 4.232 1.00 0.00 C ATOM 68 C ILE A 8 -0.027 3.895 4.952 1.00 0.00 C ATOM 69 O ILE A 8 0.987 3.580 4.329 1.00 0.00 O ATOM 70 CB ILE A 8 -2.161 3.343 3.781 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.424 2.411 2.816 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.416 3.903 3.129 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.008 1.016 2.760 1.00 0.00 C ATOM 0 H ILE A 8 -0.136 4.875 2.488 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.780 5.137 4.916 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.457 2.768 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.445 2.845 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.377 2.347 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.061 3.082 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.949 4.530 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.139 4.499 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.437 0.410 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.962 0.562 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.046 1.069 2.433 1.00 0.00 H new ATOM 85 N PHE A 9 -0.145 3.745 6.267 1.00 0.00 N ATOM 86 CA PHE A 9 0.936 3.190 7.073 1.00 0.00 C ATOM 87 C PHE A 9 0.631 1.750 7.474 1.00 0.00 C ATOM 88 O PHE A 9 -0.468 1.443 7.936 1.00 0.00 O ATOM 89 CB PHE A 9 1.159 4.043 8.323 1.00 0.00 C ATOM 90 CG PHE A 9 1.984 3.360 9.376 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.359 3.261 9.242 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.383 2.815 10.500 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.121 2.633 10.209 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.140 2.186 11.470 1.00 0.00 C ATOM 95 CZ PHE A 9 3.511 2.094 11.324 1.00 0.00 C ATOM 0 H PHE A 9 -0.978 4.000 6.797 1.00 0.00 H new ATOM 0 HA PHE A 9 1.845 3.196 6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.649 4.973 8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.191 4.311 8.748 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.842 3.680 8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.312 2.883 10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.192 2.564 10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.660 1.766 12.342 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.104 1.602 12.080 1.00 0.00 H new ATOM 105 N ILE A 10 1.612 0.871 7.293 1.00 0.00 N ATOM 106 CA ILE A 10 1.449 -0.536 7.636 1.00 0.00 C ATOM 107 C ILE A 10 2.549 -1.002 8.583 1.00 0.00 C ATOM 108 O ILE A 10 3.731 -0.759 8.345 1.00 0.00 O ATOM 109 CB ILE A 10 1.457 -1.426 6.379 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.490 -0.875 5.330 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.094 -2.859 6.742 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.849 -1.264 3.913 1.00 0.00 C ATOM 0 H ILE A 10 2.527 1.109 6.911 1.00 0.00 H new ATOM 0 HA ILE A 10 0.483 -0.630 8.132 1.00 0.00 H new ATOM 0 HB ILE A 10 2.462 -1.422 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.516 -1.231 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.467 0.212 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.104 -3.476 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.819 -3.248 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.099 -2.881 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.120 -0.838 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.842 -0.884 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.844 -2.350 3.822 1.00 0.00 H new ATOM 124 N GLY A 11 2.151 -1.675 9.658 1.00 0.00 N ATOM 125 CA GLY A 11 3.116 -2.167 10.625 1.00 0.00 C ATOM 126 C GLY A 11 2.943 -3.644 10.916 1.00 0.00 C ATOM 127 O GLY A 11 1.877 -4.210 10.679 1.00 0.00 O ATOM 0 H GLY A 11 1.178 -1.889 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.124 -1.989 10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.016 -1.603 11.552 1.00 0.00 H new ATOM 131 N ASN A 12 3.996 -4.271 11.430 1.00 0.00 N ATOM 132 CA ASN A 12 3.957 -5.693 11.752 1.00 0.00 C ATOM 133 C ASN A 12 4.012 -6.540 10.484 1.00 0.00 C ATOM 134 O ASN A 12 3.202 -7.447 10.295 1.00 0.00 O ATOM 135 CB ASN A 12 2.691 -6.023 12.545 1.00 0.00 C ATOM 136 CG ASN A 12 2.892 -7.183 13.500 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.000 -6.992 14.712 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.945 -8.394 12.958 1.00 0.00 N ATOM 0 H ASN A 12 4.887 -3.817 11.632 1.00 0.00 H new ATOM 0 HA ASN A 12 4.830 -5.926 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.378 -5.143 13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.884 -6.262 11.852 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.080 -9.213 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.851 -8.505 11.949 1.00 0.00 H new ATOM 145 N LEU A 13 4.974 -6.237 9.619 1.00 0.00 N ATOM 146 CA LEU A 13 5.136 -6.970 8.368 1.00 0.00 C ATOM 147 C LEU A 13 6.212 -8.043 8.502 1.00 0.00 C ATOM 148 O LEU A 13 7.329 -7.765 8.939 1.00 0.00 O ATOM 149 CB LEU A 13 5.496 -6.009 7.234 1.00 0.00 C ATOM 150 CG LEU A 13 4.330 -5.246 6.605 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.827 -3.983 5.920 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.583 -6.132 5.619 1.00 0.00 C ATOM 0 H LEU A 13 5.653 -5.489 9.761 1.00 0.00 H new ATOM 0 HA LEU A 13 4.189 -7.458 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.216 -5.284 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.998 -6.576 6.450 1.00 0.00 H new ATOM 0 HG LEU A 13 3.640 -4.957 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.983 -3.453 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.316 -3.340 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.538 -4.249 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.756 -5.573 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.263 -6.452 4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.193 -7.007 6.139 1.00 0.00 H new ATOM 164 N ASP A 14 5.869 -9.269 8.121 1.00 0.00 N ATOM 165 CA ASP A 14 6.806 -10.383 8.195 1.00 0.00 C ATOM 166 C ASP A 14 8.127 -10.028 7.519 1.00 0.00 C ATOM 167 O ASP A 14 8.163 -9.386 6.469 1.00 0.00 O ATOM 168 CB ASP A 14 6.204 -11.628 7.542 1.00 0.00 C ATOM 169 CG ASP A 14 6.848 -12.909 8.035 1.00 0.00 C ATOM 170 OD1 ASP A 14 7.934 -13.259 7.528 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.266 -13.562 8.926 1.00 0.00 O ATOM 0 H ASP A 14 4.948 -9.516 7.758 1.00 0.00 H new ATOM 0 HA ASP A 14 7.001 -10.592 9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.134 -11.661 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.320 -11.559 6.460 1.00 0.00 H new ATOM 176 N PRO A 15 9.240 -10.454 8.135 1.00 0.00 N ATOM 177 CA PRO A 15 10.584 -10.192 7.611 1.00 0.00 C ATOM 178 C PRO A 15 10.872 -10.977 6.335 1.00 0.00 C ATOM 179 O PRO A 15 11.879 -10.744 5.668 1.00 0.00 O ATOM 180 CB PRO A 15 11.503 -10.657 8.743 1.00 0.00 C ATOM 181 CG PRO A 15 10.705 -11.672 9.487 1.00 0.00 C ATOM 182 CD PRO A 15 9.273 -11.224 9.390 1.00 0.00 C ATOM 0 HA PRO A 15 10.718 -9.145 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.425 -11.087 8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.787 -9.826 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.834 -12.664 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.025 -11.734 10.527 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.588 -12.071 9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.985 -10.612 10.245 1.00 0.00 H new ATOM 190 N GLU A 16 9.980 -11.905 6.003 1.00 0.00 N ATOM 191 CA GLU A 16 10.141 -12.723 4.807 1.00 0.00 C ATOM 192 C GLU A 16 9.498 -12.051 3.597 1.00 0.00 C ATOM 193 O GLU A 16 9.832 -12.358 2.453 1.00 0.00 O ATOM 194 CB GLU A 16 9.524 -14.107 5.022 1.00 0.00 C ATOM 195 CG GLU A 16 10.232 -14.930 6.085 1.00 0.00 C ATOM 196 CD GLU A 16 10.075 -16.423 5.868 1.00 0.00 C ATOM 197 OE1 GLU A 16 10.786 -16.973 5.000 1.00 0.00 O ATOM 198 OE2 GLU A 16 9.243 -17.040 6.564 1.00 0.00 O ATOM 0 H GLU A 16 9.140 -12.109 6.544 1.00 0.00 H new ATOM 0 HA GLU A 16 11.208 -12.834 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.477 -13.989 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.542 -14.654 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.292 -14.677 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.838 -14.666 7.066 1.00 0.00 H new ATOM 205 N ILE A 17 8.573 -11.133 3.860 1.00 0.00 N ATOM 206 CA ILE A 17 7.884 -10.417 2.794 1.00 0.00 C ATOM 207 C ILE A 17 8.844 -9.512 2.029 1.00 0.00 C ATOM 208 O ILE A 17 9.809 -8.995 2.594 1.00 0.00 O ATOM 209 CB ILE A 17 6.725 -9.566 3.346 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.685 -10.460 4.025 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.084 -8.756 2.229 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.934 -9.771 5.143 1.00 0.00 C ATOM 0 H ILE A 17 8.284 -10.868 4.802 1.00 0.00 H new ATOM 0 HA ILE A 17 7.481 -11.170 2.117 1.00 0.00 H new ATOM 0 HB ILE A 17 7.124 -8.875 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.971 -10.805 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.182 -11.344 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.267 -8.160 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.829 -8.096 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.697 -9.431 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.214 -10.464 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.638 -9.450 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.408 -8.902 4.747 1.00 0.00 H new ATOM 224 N ASP A 18 8.573 -9.324 0.743 1.00 0.00 N ATOM 225 CA ASP A 18 9.411 -8.479 -0.100 1.00 0.00 C ATOM 226 C ASP A 18 8.582 -7.389 -0.772 1.00 0.00 C ATOM 227 O ASP A 18 7.377 -7.545 -0.968 1.00 0.00 O ATOM 228 CB ASP A 18 10.121 -9.323 -1.160 1.00 0.00 C ATOM 229 CG ASP A 18 9.174 -10.263 -1.881 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.257 -10.800 -1.225 1.00 0.00 O ATOM 231 OD2 ASP A 18 9.350 -10.461 -3.101 1.00 0.00 O ATOM 0 H ASP A 18 7.779 -9.745 0.261 1.00 0.00 H new ATOM 0 HA ASP A 18 10.158 -8.003 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.597 -8.664 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.914 -9.903 -0.688 1.00 0.00 H new ATOM 236 N GLU A 19 9.236 -6.286 -1.121 1.00 0.00 N ATOM 237 CA GLU A 19 8.558 -5.169 -1.768 1.00 0.00 C ATOM 238 C GLU A 19 7.602 -5.666 -2.849 1.00 0.00 C ATOM 239 O GLU A 19 6.491 -5.155 -2.994 1.00 0.00 O ATOM 240 CB GLU A 19 9.580 -4.208 -2.379 1.00 0.00 C ATOM 241 CG GLU A 19 10.328 -3.379 -1.348 1.00 0.00 C ATOM 242 CD GLU A 19 11.236 -4.220 -0.472 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.764 -5.237 -0.970 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.420 -3.861 0.710 1.00 0.00 O ATOM 0 H GLU A 19 10.234 -6.142 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 19 7.980 -4.640 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.300 -4.780 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.068 -3.538 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.922 -2.621 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.610 -2.852 -0.720 1.00 0.00 H new ATOM 251 N LYS A 20 8.042 -6.666 -3.606 1.00 0.00 N ATOM 252 CA LYS A 20 7.227 -7.234 -4.673 1.00 0.00 C ATOM 253 C LYS A 20 5.884 -7.716 -4.134 1.00 0.00 C ATOM 254 O LYS A 20 4.828 -7.239 -4.552 1.00 0.00 O ATOM 255 CB LYS A 20 7.966 -8.394 -5.344 1.00 0.00 C ATOM 256 CG LYS A 20 7.530 -8.645 -6.777 1.00 0.00 C ATOM 257 CD LYS A 20 8.565 -9.453 -7.541 1.00 0.00 C ATOM 258 CE LYS A 20 7.921 -10.295 -8.632 1.00 0.00 C ATOM 259 NZ LYS A 20 7.032 -11.348 -8.068 1.00 0.00 N ATOM 0 H LYS A 20 8.959 -7.100 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 20 7.043 -6.453 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.036 -8.189 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.807 -9.301 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.578 -9.175 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.366 -7.692 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.298 -8.780 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.104 -10.101 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.345 -9.650 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.698 -10.762 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.952 -12.134 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.433 -11.699 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.089 -10.947 -7.890 1.00 0.00 H new ATOM 273 N LEU A 21 5.931 -8.664 -3.204 1.00 0.00 N ATOM 274 CA LEU A 21 4.717 -9.210 -2.607 1.00 0.00 C ATOM 275 C LEU A 21 3.792 -8.093 -2.135 1.00 0.00 C ATOM 276 O LEU A 21 2.682 -7.935 -2.644 1.00 0.00 O ATOM 277 CB LEU A 21 5.070 -10.125 -1.433 1.00 0.00 C ATOM 278 CG LEU A 21 3.948 -11.033 -0.928 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.757 -12.217 -1.862 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.243 -11.509 0.487 1.00 0.00 C ATOM 0 H LEU A 21 6.796 -9.070 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 21 4.196 -9.790 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.912 -10.751 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.409 -9.504 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 21 3.022 -10.458 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.954 -12.851 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.498 -11.857 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.681 -12.793 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.434 -12.154 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.180 -12.066 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.327 -10.648 1.150 1.00 0.00 H new ATOM 292 N LEU A 22 4.258 -7.319 -1.161 1.00 0.00 N ATOM 293 CA LEU A 22 3.473 -6.213 -0.621 1.00 0.00 C ATOM 294 C LEU A 22 2.684 -5.516 -1.724 1.00 0.00 C ATOM 295 O LEU A 22 1.473 -5.328 -1.612 1.00 0.00 O ATOM 296 CB LEU A 22 4.388 -5.208 0.081 1.00 0.00 C ATOM 297 CG LEU A 22 4.731 -5.518 1.539 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.748 -4.520 2.071 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.475 -5.510 2.396 1.00 0.00 C ATOM 0 H LEU A 22 5.175 -7.436 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 22 2.767 -6.620 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.318 -5.138 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.916 -4.227 0.040 1.00 0.00 H new ATOM 0 HG LEU A 22 5.171 -6.514 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.980 -4.756 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.658 -4.575 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.335 -3.513 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.739 -5.733 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.006 -4.528 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.779 -6.264 2.029 1.00 0.00 H new ATOM 311 N TYR A 23 3.379 -5.136 -2.791 1.00 0.00 N ATOM 312 CA TYR A 23 2.743 -4.459 -3.915 1.00 0.00 C ATOM 313 C TYR A 23 1.473 -5.188 -4.343 1.00 0.00 C ATOM 314 O TYR A 23 0.385 -4.612 -4.348 1.00 0.00 O ATOM 315 CB TYR A 23 3.712 -4.364 -5.095 1.00 0.00 C ATOM 316 CG TYR A 23 3.132 -3.660 -6.300 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.329 -4.340 -7.207 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.388 -2.314 -6.533 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.797 -3.701 -8.311 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.859 -1.667 -7.633 1.00 0.00 C ATOM 321 CZ TYR A 23 2.065 -2.364 -8.519 1.00 0.00 C ATOM 322 OH TYR A 23 1.537 -1.723 -9.616 1.00 0.00 O ATOM 0 H TYR A 23 4.382 -5.285 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 23 2.472 -3.453 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.611 -3.837 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.018 -5.369 -5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.117 -5.387 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.011 -1.765 -5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.175 -4.245 -9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.066 -0.620 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 23 1.821 -0.785 -9.615 1.00 0.00 H new ATOM 332 N ASP A 24 1.620 -6.458 -4.701 1.00 0.00 N ATOM 333 CA ASP A 24 0.486 -7.269 -5.129 1.00 0.00 C ATOM 334 C ASP A 24 -0.519 -7.440 -3.994 1.00 0.00 C ATOM 335 O ASP A 24 -1.698 -7.117 -4.139 1.00 0.00 O ATOM 336 CB ASP A 24 0.964 -8.638 -5.614 1.00 0.00 C ATOM 337 CG ASP A 24 1.282 -8.649 -7.096 1.00 0.00 C ATOM 338 OD1 ASP A 24 0.563 -7.973 -7.862 1.00 0.00 O ATOM 339 OD2 ASP A 24 2.249 -9.333 -7.492 1.00 0.00 O ATOM 0 H ASP A 24 2.514 -6.949 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.007 -6.753 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.852 -8.929 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.196 -9.383 -5.405 1.00 0.00 H new ATOM 344 N THR A 25 -0.044 -7.951 -2.862 1.00 0.00 N ATOM 345 CA THR A 25 -0.900 -8.168 -1.703 1.00 0.00 C ATOM 346 C THR A 25 -1.922 -7.046 -1.557 1.00 0.00 C ATOM 347 O THR A 25 -3.074 -7.285 -1.196 1.00 0.00 O ATOM 348 CB THR A 25 -0.075 -8.268 -0.406 1.00 0.00 C ATOM 349 OG1 THR A 25 0.811 -9.390 -0.474 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.985 -8.406 0.805 1.00 0.00 C ATOM 0 H THR A 25 0.930 -8.222 -2.724 1.00 0.00 H new ATOM 0 HA THR A 25 -1.421 -9.111 -1.867 1.00 0.00 H new ATOM 0 HB THR A 25 0.507 -7.352 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.333 -9.445 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.380 -8.475 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.638 -7.535 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.591 -9.307 0.704 1.00 0.00 H new ATOM 358 N PHE A 26 -1.492 -5.820 -1.839 1.00 0.00 N ATOM 359 CA PHE A 26 -2.370 -4.661 -1.739 1.00 0.00 C ATOM 360 C PHE A 26 -2.972 -4.315 -3.097 1.00 0.00 C ATOM 361 O PHE A 26 -4.089 -3.803 -3.182 1.00 0.00 O ATOM 362 CB PHE A 26 -1.601 -3.458 -1.188 1.00 0.00 C ATOM 363 CG PHE A 26 -1.405 -3.502 0.300 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.702 -4.540 0.890 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.924 -2.505 1.110 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.519 -4.583 2.259 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.745 -2.542 2.480 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.043 -3.583 3.055 1.00 0.00 C ATOM 0 H PHE A 26 -0.541 -5.604 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.181 -4.910 -1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.626 -3.407 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.136 -2.545 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.292 -5.325 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.475 -1.689 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.033 -5.397 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.154 -1.758 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.904 -3.615 4.126 1.00 0.00 H new ATOM 378 N SER A 27 -2.224 -4.598 -4.159 1.00 0.00 N ATOM 379 CA SER A 27 -2.681 -4.314 -5.514 1.00 0.00 C ATOM 380 C SER A 27 -4.116 -4.791 -5.715 1.00 0.00 C ATOM 381 O SER A 27 -4.935 -4.096 -6.315 1.00 0.00 O ATOM 382 CB SER A 27 -1.761 -4.983 -6.536 1.00 0.00 C ATOM 383 OG SER A 27 -1.919 -4.406 -7.821 1.00 0.00 O ATOM 0 H SER A 27 -1.299 -5.024 -4.107 1.00 0.00 H new ATOM 0 HA SER A 27 -2.652 -3.234 -5.662 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.724 -4.885 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.980 -6.050 -6.584 1.00 0.00 H new ATOM 0 HG SER A 27 -1.319 -4.851 -8.455 1.00 0.00 H new ATOM 389 N ALA A 28 -4.413 -5.983 -5.208 1.00 0.00 N ATOM 390 CA ALA A 28 -5.748 -6.554 -5.329 1.00 0.00 C ATOM 391 C ALA A 28 -6.821 -5.493 -5.108 1.00 0.00 C ATOM 392 O ALA A 28 -7.684 -5.281 -5.960 1.00 0.00 O ATOM 393 CB ALA A 28 -5.925 -7.699 -4.343 1.00 0.00 C ATOM 0 H ALA A 28 -3.746 -6.572 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.859 -6.941 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.927 -8.115 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.187 -8.474 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.788 -7.329 -3.327 1.00 0.00 H new ATOM 399 N PHE A 29 -6.761 -4.828 -3.959 1.00 0.00 N ATOM 400 CA PHE A 29 -7.729 -3.790 -3.625 1.00 0.00 C ATOM 401 C PHE A 29 -7.736 -2.692 -4.685 1.00 0.00 C ATOM 402 O PHE A 29 -8.691 -2.559 -5.450 1.00 0.00 O ATOM 403 CB PHE A 29 -7.412 -3.189 -2.254 1.00 0.00 C ATOM 404 CG PHE A 29 -7.299 -4.213 -1.162 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.415 -4.914 -0.734 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.078 -4.476 -0.563 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.315 -5.857 0.272 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.971 -5.418 0.443 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.091 -6.110 0.860 1.00 0.00 C ATOM 0 H PHE A 29 -6.052 -4.990 -3.244 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.718 -4.247 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.477 -2.633 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.191 -2.474 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.374 -4.721 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.199 -3.938 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.193 -6.395 0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.013 -5.612 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.010 -6.848 1.645 1.00 0.00 H new ATOM 419 N GLY A 30 -6.664 -1.907 -4.723 1.00 0.00 N ATOM 420 CA GLY A 30 -6.566 -0.831 -5.692 1.00 0.00 C ATOM 421 C GLY A 30 -5.210 -0.779 -6.367 1.00 0.00 C ATOM 422 O GLY A 30 -4.410 -1.706 -6.239 1.00 0.00 O ATOM 0 H GLY A 30 -5.861 -1.997 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.340 -0.956 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.757 0.120 -5.195 1.00 0.00 H new ATOM 426 N VAL A 31 -4.951 0.307 -7.088 1.00 0.00 N ATOM 427 CA VAL A 31 -3.682 0.475 -7.787 1.00 0.00 C ATOM 428 C VAL A 31 -2.698 1.285 -6.950 1.00 0.00 C ATOM 429 O VAL A 31 -3.086 2.217 -6.245 1.00 0.00 O ATOM 430 CB VAL A 31 -3.879 1.173 -9.146 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.539 1.394 -9.831 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.812 0.361 -10.031 1.00 0.00 C ATOM 0 H VAL A 31 -5.602 1.083 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.277 -0.523 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.337 2.147 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.697 1.888 -10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.907 2.019 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.051 0.433 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.940 0.869 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.385 -0.628 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.781 0.259 -9.542 1.00 0.00 H new ATOM 442 N ILE A 32 -1.422 0.922 -7.033 1.00 0.00 N ATOM 443 CA ILE A 32 -0.381 1.616 -6.284 1.00 0.00 C ATOM 444 C ILE A 32 0.306 2.670 -7.146 1.00 0.00 C ATOM 445 O ILE A 32 0.586 2.439 -8.323 1.00 0.00 O ATOM 446 CB ILE A 32 0.679 0.634 -5.752 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.030 -0.397 -4.825 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.782 1.388 -5.025 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.883 -1.625 -4.596 1.00 0.00 C ATOM 0 H ILE A 32 -1.085 0.152 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.870 2.102 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 32 1.122 0.107 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.182 0.073 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.927 -0.703 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.524 0.680 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.259 2.087 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.355 1.938 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.361 -2.312 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.074 -2.118 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.830 -1.331 -4.144 1.00 0.00 H new ATOM 461 N LEU A 33 0.577 3.827 -6.552 1.00 0.00 N ATOM 462 CA LEU A 33 1.234 4.917 -7.264 1.00 0.00 C ATOM 463 C LEU A 33 2.662 4.538 -7.642 1.00 0.00 C ATOM 464 O LEU A 33 3.061 4.660 -8.800 1.00 0.00 O ATOM 465 CB LEU A 33 1.241 6.183 -6.405 1.00 0.00 C ATOM 466 CG LEU A 33 -0.093 6.920 -6.286 1.00 0.00 C ATOM 467 CD1 LEU A 33 0.020 8.072 -5.300 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.548 7.424 -7.648 1.00 0.00 C ATOM 0 H LEU A 33 0.352 4.034 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 33 0.674 5.109 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.577 5.916 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.979 6.872 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.840 6.220 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.939 8.585 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.299 7.686 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.781 8.772 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.499 7.946 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.199 8.108 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.670 6.580 -8.326 1.00 0.00 H new ATOM 480 N GLN A 34 3.427 4.076 -6.658 1.00 0.00 N ATOM 481 CA GLN A 34 4.810 3.677 -6.889 1.00 0.00 C ATOM 482 C GLN A 34 5.236 2.592 -5.904 1.00 0.00 C ATOM 483 O GLN A 34 4.707 2.502 -4.796 1.00 0.00 O ATOM 484 CB GLN A 34 5.739 4.886 -6.766 1.00 0.00 C ATOM 485 CG GLN A 34 5.870 5.411 -5.345 1.00 0.00 C ATOM 486 CD GLN A 34 6.934 6.482 -5.214 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.040 7.375 -6.056 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.730 6.401 -4.154 1.00 0.00 N ATOM 0 H GLN A 34 3.112 3.969 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 34 4.881 3.274 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.727 4.613 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.368 5.686 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.911 5.816 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.109 4.584 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.607 5.645 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.464 7.095 -4.013 1.00 0.00 H new ATOM 497 N THR A 35 6.195 1.769 -6.317 1.00 0.00 N ATOM 498 CA THR A 35 6.690 0.689 -5.473 1.00 0.00 C ATOM 499 C THR A 35 6.707 1.102 -4.005 1.00 0.00 C ATOM 500 O THR A 35 7.071 2.225 -3.655 1.00 0.00 O ATOM 501 CB THR A 35 8.109 0.257 -5.888 1.00 0.00 C ATOM 502 OG1 THR A 35 8.097 -0.235 -7.233 1.00 0.00 O ATOM 503 CG2 THR A 35 8.642 -0.819 -4.954 1.00 0.00 C ATOM 0 H THR A 35 6.644 1.830 -7.231 1.00 0.00 H new ATOM 0 HA THR A 35 6.009 -0.152 -5.604 1.00 0.00 H new ATOM 0 HB THR A 35 8.763 1.127 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.003 -0.506 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.645 -1.108 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.677 -0.432 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.986 -1.689 -4.989 1.00 0.00 H new ATOM 511 N PRO A 36 6.303 0.174 -3.124 1.00 0.00 N ATOM 512 CA PRO A 36 6.264 0.419 -1.679 1.00 0.00 C ATOM 513 C PRO A 36 7.658 0.530 -1.072 1.00 0.00 C ATOM 514 O PRO A 36 8.620 -0.037 -1.591 1.00 0.00 O ATOM 515 CB PRO A 36 5.539 -0.812 -1.131 1.00 0.00 C ATOM 516 CG PRO A 36 5.789 -1.880 -2.139 1.00 0.00 C ATOM 517 CD PRO A 36 5.855 -1.185 -3.471 1.00 0.00 C ATOM 0 HA PRO A 36 5.774 1.362 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.924 -1.095 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.472 -0.622 -1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.720 -2.407 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.992 -2.623 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.553 -1.678 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.885 -1.174 -3.967 1.00 0.00 H new ATOM 525 N LYS A 37 7.761 1.265 0.030 1.00 0.00 N ATOM 526 CA LYS A 37 9.038 1.450 0.710 1.00 0.00 C ATOM 527 C LYS A 37 9.021 0.794 2.087 1.00 0.00 C ATOM 528 O LYS A 37 8.233 1.171 2.955 1.00 0.00 O ATOM 529 CB LYS A 37 9.354 2.941 0.848 1.00 0.00 C ATOM 530 CG LYS A 37 10.841 3.247 0.877 1.00 0.00 C ATOM 531 CD LYS A 37 11.407 3.135 2.283 1.00 0.00 C ATOM 532 CE LYS A 37 12.894 2.815 2.262 1.00 0.00 C ATOM 533 NZ LYS A 37 13.724 4.045 2.136 1.00 0.00 N ATOM 0 H LYS A 37 6.975 1.743 0.472 1.00 0.00 H new ATOM 0 HA LYS A 37 9.813 0.974 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.897 3.479 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.896 3.318 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.368 2.559 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.014 4.253 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.243 4.070 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.874 2.357 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.165 2.286 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.110 2.145 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.731 3.785 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.484 4.537 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.538 4.674 2.943 1.00 0.00 H new ATOM 547 N ILE A 38 9.895 -0.188 2.280 1.00 0.00 N ATOM 548 CA ILE A 38 9.982 -0.894 3.552 1.00 0.00 C ATOM 549 C ILE A 38 11.103 -0.330 4.418 1.00 0.00 C ATOM 550 O ILE A 38 12.206 -0.075 3.936 1.00 0.00 O ATOM 551 CB ILE A 38 10.219 -2.402 3.344 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.055 -3.021 2.567 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.398 -3.100 4.684 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.251 -4.487 2.251 1.00 0.00 C ATOM 0 H ILE A 38 10.553 -0.513 1.571 1.00 0.00 H new ATOM 0 HA ILE A 38 9.027 -0.751 4.058 1.00 0.00 H new ATOM 0 HB ILE A 38 11.131 -2.534 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.139 -2.902 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.918 -2.472 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.564 -4.165 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.256 -2.674 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.502 -2.962 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.388 -4.859 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.149 -4.612 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.358 -5.048 3.179 1.00 0.00 H new ATOM 566 N MET A 39 10.812 -0.139 5.701 1.00 0.00 N ATOM 567 CA MET A 39 11.797 0.392 6.637 1.00 0.00 C ATOM 568 C MET A 39 12.815 -0.677 7.020 1.00 0.00 C ATOM 569 O MET A 39 12.504 -1.603 7.769 1.00 0.00 O ATOM 570 CB MET A 39 11.103 0.926 7.892 1.00 0.00 C ATOM 571 CG MET A 39 10.198 2.117 7.625 1.00 0.00 C ATOM 572 SD MET A 39 11.066 3.488 6.839 1.00 0.00 S ATOM 573 CE MET A 39 9.786 4.125 5.760 1.00 0.00 C ATOM 0 H MET A 39 9.903 -0.344 6.116 1.00 0.00 H new ATOM 0 HA MET A 39 12.324 1.210 6.146 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.514 0.126 8.340 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.860 1.212 8.622 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.370 1.804 6.989 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.766 2.458 8.566 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.233 4.778 5.011 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.282 3.295 5.264 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.062 4.690 6.348 1.00 0.00 H new ATOM 691 N LYS A 48 12.907 -3.559 9.635 1.00 0.00 N ATOM 692 CA LYS A 48 12.368 -3.110 10.913 1.00 0.00 C ATOM 693 C LYS A 48 11.058 -3.823 11.231 1.00 0.00 C ATOM 694 O LYS A 48 10.946 -4.515 12.243 1.00 0.00 O ATOM 695 CB LYS A 48 12.144 -1.596 10.892 1.00 0.00 C ATOM 696 CG LYS A 48 13.406 -0.791 11.147 1.00 0.00 C ATOM 697 CD LYS A 48 13.727 -0.711 12.630 1.00 0.00 C ATOM 698 CE LYS A 48 14.916 0.199 12.895 1.00 0.00 C ATOM 699 NZ LYS A 48 14.992 0.611 14.324 1.00 0.00 N ATOM 0 HA LYS A 48 13.093 -3.353 11.690 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.731 -1.312 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.399 -1.337 11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.242 -1.247 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.284 0.215 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.857 -0.341 13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.940 -1.710 13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.836 -0.315 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.842 1.085 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.816 1.230 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.125 1.124 14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.088 -0.233 14.924 1.00 0.00 H new ATOM 713 N GLY A 49 10.068 -3.652 10.360 1.00 0.00 N ATOM 714 CA GLY A 49 8.780 -4.287 10.566 1.00 0.00 C ATOM 715 C GLY A 49 7.634 -3.469 10.005 1.00 0.00 C ATOM 716 O GLY A 49 6.583 -4.012 9.663 1.00 0.00 O ATOM 0 H GLY A 49 10.135 -3.085 9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.784 -5.271 10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.622 -4.444 11.633 1.00 0.00 H new ATOM 720 N TYR A 50 7.834 -2.159 9.912 1.00 0.00 N ATOM 721 CA TYR A 50 6.807 -1.264 9.393 1.00 0.00 C ATOM 722 C TYR A 50 7.190 -0.737 8.013 1.00 0.00 C ATOM 723 O TYR A 50 8.362 -0.480 7.738 1.00 0.00 O ATOM 724 CB TYR A 50 6.586 -0.095 10.354 1.00 0.00 C ATOM 725 CG TYR A 50 7.865 0.449 10.950 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.460 -0.163 12.046 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.479 1.575 10.415 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.628 0.331 12.593 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.648 2.076 10.955 1.00 0.00 C ATOM 730 CZ TYR A 50 10.219 1.450 12.045 1.00 0.00 C ATOM 731 OH TYR A 50 11.383 1.945 12.586 1.00 0.00 O ATOM 0 H TYR A 50 8.698 -1.693 10.189 1.00 0.00 H new ATOM 0 HA TYR A 50 5.880 -1.831 9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.072 0.707 9.825 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.928 -0.418 11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.001 -1.040 12.478 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.035 2.067 9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.076 -0.157 13.446 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.112 2.952 10.527 1.00 0.00 H new ATOM 0 HH TYR A 50 11.668 2.736 12.082 1.00 0.00 H new ATOM 741 N ALA A 51 6.193 -0.579 7.150 1.00 0.00 N ATOM 742 CA ALA A 51 6.423 -0.080 5.799 1.00 0.00 C ATOM 743 C ALA A 51 5.419 1.008 5.437 1.00 0.00 C ATOM 744 O ALA A 51 4.425 1.207 6.136 1.00 0.00 O ATOM 745 CB ALA A 51 6.353 -1.222 4.796 1.00 0.00 C ATOM 0 H ALA A 51 5.218 -0.789 7.362 1.00 0.00 H new ATOM 0 HA ALA A 51 7.420 0.358 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.526 -0.835 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.115 -1.964 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.368 -1.686 4.841 1.00 0.00 H new ATOM 751 N PHE A 52 5.684 1.710 4.340 1.00 0.00 N ATOM 752 CA PHE A 52 4.803 2.780 3.886 1.00 0.00 C ATOM 753 C PHE A 52 4.400 2.571 2.429 1.00 0.00 C ATOM 754 O PHE A 52 5.249 2.353 1.564 1.00 0.00 O ATOM 755 CB PHE A 52 5.489 4.138 4.047 1.00 0.00 C ATOM 756 CG PHE A 52 5.565 4.605 5.472 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.280 3.884 6.415 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.922 5.767 5.869 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.351 4.312 7.727 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.990 6.200 7.180 1.00 0.00 C ATOM 761 CZ PHE A 52 5.706 5.472 8.110 1.00 0.00 C ATOM 0 H PHE A 52 6.501 1.557 3.749 1.00 0.00 H new ATOM 0 HA PHE A 52 3.903 2.761 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.498 4.077 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.951 4.880 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.788 2.977 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.361 6.341 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.910 3.740 8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.484 7.107 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.762 5.809 9.135 1.00 0.00 H new ATOM 771 N ILE A 53 3.099 2.638 2.166 1.00 0.00 N ATOM 772 CA ILE A 53 2.584 2.456 0.814 1.00 0.00 C ATOM 773 C ILE A 53 1.545 3.520 0.475 1.00 0.00 C ATOM 774 O ILE A 53 0.714 3.879 1.308 1.00 0.00 O ATOM 775 CB ILE A 53 1.953 1.063 0.635 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.883 -0.017 1.191 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.649 0.804 -0.833 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.438 -1.425 0.862 1.00 0.00 C ATOM 0 H ILE A 53 2.383 2.817 2.870 1.00 0.00 H new ATOM 0 HA ILE A 53 3.433 2.551 0.137 1.00 0.00 H new ATOM 0 HB ILE A 53 1.016 1.030 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.886 0.140 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.947 0.092 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.203 -0.185 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.953 1.559 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.573 0.852 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.144 -2.138 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.447 -1.601 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.402 -1.552 -0.220 1.00 0.00 H new ATOM 790 N ASN A 54 1.597 4.019 -0.756 1.00 0.00 N ATOM 791 CA ASN A 54 0.660 5.041 -1.207 1.00 0.00 C ATOM 792 C ASN A 54 -0.189 4.528 -2.366 1.00 0.00 C ATOM 793 O ASN A 54 0.332 3.964 -3.329 1.00 0.00 O ATOM 794 CB ASN A 54 1.414 6.303 -1.632 1.00 0.00 C ATOM 795 CG ASN A 54 1.788 7.178 -0.451 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.266 6.689 0.572 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.571 8.481 -0.589 1.00 0.00 N ATOM 0 H ASN A 54 2.278 3.732 -1.459 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.001 5.284 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.318 6.019 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.797 6.876 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.803 9.120 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.173 8.843 -1.456 1.00 0.00 H new ATOM 804 N PHE A 55 -1.499 4.727 -2.267 1.00 0.00 N ATOM 805 CA PHE A 55 -2.420 4.284 -3.306 1.00 0.00 C ATOM 806 C PHE A 55 -2.682 5.401 -4.313 1.00 0.00 C ATOM 807 O PHE A 55 -2.336 6.558 -4.076 1.00 0.00 O ATOM 808 CB PHE A 55 -3.740 3.823 -2.685 1.00 0.00 C ATOM 809 CG PHE A 55 -3.746 2.372 -2.298 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.278 1.970 -1.057 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.220 1.409 -3.174 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.281 0.635 -0.699 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.227 0.073 -2.822 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.757 -0.314 -1.582 1.00 0.00 C ATOM 0 H PHE A 55 -1.946 5.192 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.961 3.446 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.947 4.427 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.549 4.005 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.907 2.708 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.589 1.706 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.911 0.334 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.599 -0.667 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.762 -1.357 -1.303 1.00 0.00 H new ATOM 824 N ALA A 56 -3.294 5.044 -5.437 1.00 0.00 N ATOM 825 CA ALA A 56 -3.604 6.015 -6.480 1.00 0.00 C ATOM 826 C ALA A 56 -4.786 6.891 -6.081 1.00 0.00 C ATOM 827 O ALA A 56 -4.735 8.114 -6.206 1.00 0.00 O ATOM 828 CB ALA A 56 -3.890 5.304 -7.794 1.00 0.00 C ATOM 0 H ALA A 56 -3.585 4.090 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.736 6.661 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.120 6.041 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.015 4.727 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.740 4.634 -7.668 1.00 0.00 H new ATOM 834 N SER A 57 -5.851 6.256 -5.600 1.00 0.00 N ATOM 835 CA SER A 57 -7.048 6.978 -5.186 1.00 0.00 C ATOM 836 C SER A 57 -7.371 6.702 -3.721 1.00 0.00 C ATOM 837 O SER A 57 -6.725 5.875 -3.077 1.00 0.00 O ATOM 838 CB SER A 57 -8.237 6.582 -6.065 1.00 0.00 C ATOM 839 OG SER A 57 -9.207 7.614 -6.106 1.00 0.00 O ATOM 0 H SER A 57 -5.909 5.244 -5.488 1.00 0.00 H new ATOM 0 HA SER A 57 -6.857 8.045 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.890 6.365 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.690 5.668 -5.680 1.00 0.00 H new ATOM 0 HG SER A 57 -9.955 7.337 -6.675 1.00 0.00 H new ATOM 845 N PHE A 58 -8.374 7.401 -3.200 1.00 0.00 N ATOM 846 CA PHE A 58 -8.782 7.233 -1.811 1.00 0.00 C ATOM 847 C PHE A 58 -9.615 5.966 -1.638 1.00 0.00 C ATOM 848 O PHE A 58 -9.457 5.235 -0.660 1.00 0.00 O ATOM 849 CB PHE A 58 -9.581 8.451 -1.341 1.00 0.00 C ATOM 850 CG PHE A 58 -8.752 9.696 -1.205 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.407 10.440 -2.322 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.319 10.122 0.040 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.644 11.585 -2.199 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.555 11.267 0.169 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.219 12.000 -0.952 1.00 0.00 C ATOM 0 H PHE A 58 -8.919 8.089 -3.719 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.882 7.141 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.391 8.639 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.042 8.224 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.738 10.121 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.581 9.553 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.380 12.155 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.222 11.588 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.625 12.896 -0.854 1.00 0.00 H new ATOM 865 N ASP A 59 -10.502 5.714 -2.594 1.00 0.00 N ATOM 866 CA ASP A 59 -11.361 4.536 -2.549 1.00 0.00 C ATOM 867 C ASP A 59 -10.546 3.282 -2.247 1.00 0.00 C ATOM 868 O ASP A 59 -10.975 2.422 -1.478 1.00 0.00 O ATOM 869 CB ASP A 59 -12.104 4.370 -3.875 1.00 0.00 C ATOM 870 CG ASP A 59 -13.304 3.451 -3.755 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.876 3.363 -2.647 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.672 2.820 -4.768 1.00 0.00 O ATOM 0 H ASP A 59 -10.645 6.309 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.089 4.676 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.432 5.347 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.419 3.973 -4.625 1.00 0.00 H new ATOM 877 N ALA A 60 -9.371 3.184 -2.859 1.00 0.00 N ATOM 878 CA ALA A 60 -8.496 2.036 -2.655 1.00 0.00 C ATOM 879 C ALA A 60 -8.065 1.927 -1.197 1.00 0.00 C ATOM 880 O ALA A 60 -8.132 0.853 -0.599 1.00 0.00 O ATOM 881 CB ALA A 60 -7.279 2.132 -3.562 1.00 0.00 C ATOM 0 H ALA A 60 -9.003 3.886 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.054 1.135 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.635 1.268 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.602 2.153 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.727 3.044 -3.335 1.00 0.00 H new ATOM 887 N SER A 61 -7.622 3.044 -0.630 1.00 0.00 N ATOM 888 CA SER A 61 -7.175 3.073 0.758 1.00 0.00 C ATOM 889 C SER A 61 -8.258 2.534 1.688 1.00 0.00 C ATOM 890 O SER A 61 -7.974 1.776 2.616 1.00 0.00 O ATOM 891 CB SER A 61 -6.800 4.498 1.166 1.00 0.00 C ATOM 892 OG SER A 61 -7.952 5.313 1.292 1.00 0.00 O ATOM 0 H SER A 61 -7.563 3.942 -1.111 1.00 0.00 H new ATOM 0 HA SER A 61 -6.295 2.435 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.260 4.478 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.127 4.927 0.424 1.00 0.00 H new ATOM 0 HG SER A 61 -8.389 5.398 0.419 1.00 0.00 H new ATOM 898 N ASP A 62 -9.500 2.931 1.433 1.00 0.00 N ATOM 899 CA ASP A 62 -10.626 2.488 2.246 1.00 0.00 C ATOM 900 C ASP A 62 -10.697 0.965 2.293 1.00 0.00 C ATOM 901 O ASP A 62 -10.790 0.371 3.367 1.00 0.00 O ATOM 902 CB ASP A 62 -11.935 3.055 1.694 1.00 0.00 C ATOM 903 CG ASP A 62 -13.067 2.984 2.700 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.780 2.978 3.915 1.00 0.00 O ATOM 905 OD2 ASP A 62 -14.239 2.933 2.272 1.00 0.00 O ATOM 0 H ASP A 62 -9.752 3.559 0.670 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.478 2.858 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.781 4.092 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.216 2.505 0.796 1.00 0.00 H new ATOM 910 N ALA A 63 -10.653 0.339 1.122 1.00 0.00 N ATOM 911 CA ALA A 63 -10.711 -1.115 1.029 1.00 0.00 C ATOM 912 C ALA A 63 -9.726 -1.766 1.995 1.00 0.00 C ATOM 913 O ALA A 63 -10.089 -2.663 2.755 1.00 0.00 O ATOM 914 CB ALA A 63 -10.429 -1.565 -0.397 1.00 0.00 C ATOM 0 H ALA A 63 -10.577 0.816 0.224 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.716 -1.432 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.476 -2.653 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.173 -1.136 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.436 -1.229 -0.695 1.00 0.00 H new ATOM 920 N ALA A 64 -8.479 -1.308 1.960 1.00 0.00 N ATOM 921 CA ALA A 64 -7.443 -1.845 2.833 1.00 0.00 C ATOM 922 C ALA A 64 -7.748 -1.543 4.297 1.00 0.00 C ATOM 923 O ALA A 64 -8.068 -2.445 5.072 1.00 0.00 O ATOM 924 CB ALA A 64 -6.083 -1.281 2.448 1.00 0.00 C ATOM 0 H ALA A 64 -8.162 -0.566 1.336 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.423 -2.928 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.319 -1.691 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.855 -1.552 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.100 -0.195 2.542 1.00 0.00 H new ATOM 930 N ILE A 65 -7.646 -0.271 4.667 1.00 0.00 N ATOM 931 CA ILE A 65 -7.911 0.148 6.038 1.00 0.00 C ATOM 932 C ILE A 65 -9.129 -0.572 6.607 1.00 0.00 C ATOM 933 O ILE A 65 -9.246 -0.749 7.819 1.00 0.00 O ATOM 934 CB ILE A 65 -8.140 1.669 6.127 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.864 2.421 5.745 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.590 2.055 7.528 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.076 3.905 5.540 1.00 0.00 C ATOM 0 H ILE A 65 -7.382 0.487 4.037 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.030 -0.114 6.624 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.926 1.946 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.117 2.273 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.458 1.990 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.748 3.132 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.521 1.541 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.824 1.768 8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.129 4.374 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.799 4.062 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.453 4.349 6.461 1.00 0.00 H new ATOM 949 N GLU A 66 -10.031 -0.987 5.723 1.00 0.00 N ATOM 950 CA GLU A 66 -11.240 -1.689 6.139 1.00 0.00 C ATOM 951 C GLU A 66 -10.944 -3.159 6.422 1.00 0.00 C ATOM 952 O GLU A 66 -11.191 -3.652 7.523 1.00 0.00 O ATOM 953 CB GLU A 66 -12.320 -1.573 5.061 1.00 0.00 C ATOM 954 CG GLU A 66 -13.671 -2.117 5.493 1.00 0.00 C ATOM 955 CD GLU A 66 -14.423 -1.160 6.399 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.589 0.016 6.013 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.845 -1.589 7.493 1.00 0.00 O ATOM 0 H GLU A 66 -9.948 -0.850 4.716 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.602 -1.225 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.432 -0.525 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.991 -2.107 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.274 -2.325 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.528 -3.065 6.011 1.00 0.00 H new ATOM 964 N ALA A 67 -10.415 -3.854 5.421 1.00 0.00 N ATOM 965 CA ALA A 67 -10.085 -5.267 5.562 1.00 0.00 C ATOM 966 C ALA A 67 -8.632 -5.451 5.989 1.00 0.00 C ATOM 967 O ALA A 67 -8.353 -6.022 7.042 1.00 0.00 O ATOM 968 CB ALA A 67 -10.351 -6.004 4.258 1.00 0.00 C ATOM 0 H ALA A 67 -10.206 -3.462 4.503 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.722 -5.688 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.100 -7.058 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.405 -5.909 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.739 -5.573 3.465 1.00 0.00 H new ATOM 974 N MET A 68 -7.711 -4.964 5.163 1.00 0.00 N ATOM 975 CA MET A 68 -6.287 -5.075 5.457 1.00 0.00 C ATOM 976 C MET A 68 -6.006 -4.747 6.920 1.00 0.00 C ATOM 977 O MET A 68 -5.004 -5.186 7.482 1.00 0.00 O ATOM 978 CB MET A 68 -5.483 -4.141 4.550 1.00 0.00 C ATOM 979 CG MET A 68 -5.097 -4.769 3.221 1.00 0.00 C ATOM 980 SD MET A 68 -3.508 -5.619 3.290 1.00 0.00 S ATOM 981 CE MET A 68 -4.037 -7.330 3.244 1.00 0.00 C ATOM 0 H MET A 68 -7.925 -4.489 4.286 1.00 0.00 H new ATOM 0 HA MET A 68 -5.982 -6.104 5.269 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.067 -3.240 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.578 -3.831 5.072 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.870 -5.476 2.919 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.057 -3.994 2.455 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.234 -7.948 2.842 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.281 -7.663 4.253 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.918 -7.421 2.609 1.00 0.00 H new ATOM 991 N ASN A 69 -6.899 -3.974 7.530 1.00 0.00 N ATOM 992 CA ASN A 69 -6.746 -3.587 8.928 1.00 0.00 C ATOM 993 C ASN A 69 -6.938 -4.788 9.849 1.00 0.00 C ATOM 994 O ASN A 69 -8.041 -5.044 10.331 1.00 0.00 O ATOM 995 CB ASN A 69 -7.748 -2.489 9.288 1.00 0.00 C ATOM 996 CG ASN A 69 -7.818 -2.236 10.782 1.00 0.00 C ATOM 997 OD1 ASN A 69 -8.846 -2.474 11.415 1.00 0.00 O ATOM 998 ND2 ASN A 69 -6.721 -1.751 11.351 1.00 0.00 N ATOM 0 H ASN A 69 -7.735 -3.604 7.079 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.734 -3.205 9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.470 -1.566 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.736 -2.769 8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.708 -1.560 12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.891 -1.569 10.786 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.856 -5.522 10.090 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.927 -6.687 10.953 1.00 0.00 C ATOM 1007 C GLY A 70 -5.682 -7.981 10.202 1.00 0.00 C ATOM 1008 O GLY A 70 -5.420 -9.018 10.810 1.00 0.00 O ATOM 0 H GLY A 70 -4.932 -5.331 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.191 -6.589 11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.908 -6.725 11.426 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.768 -7.919 8.877 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.556 -9.096 8.043 1.00 0.00 C ATOM 1014 C GLN A 71 -4.340 -9.886 8.515 1.00 0.00 C ATOM 1015 O GLN A 71 -3.234 -9.352 8.596 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.376 -8.685 6.580 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.678 -8.629 5.799 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.479 -8.870 4.315 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.969 -8.109 3.480 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -5.758 -9.932 3.979 1.00 0.00 N ATOM 0 H GLN A 71 -5.983 -7.067 8.359 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.436 -9.734 8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.897 -7.706 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.701 -9.389 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.367 -9.375 6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.144 -7.655 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.371 -10.536 4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.591 -10.145 2.995 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.552 -11.160 8.825 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.474 -12.023 9.292 1.00 0.00 C ATOM 1031 C TYR A 72 -2.497 -12.334 8.162 1.00 0.00 C ATOM 1032 O TYR A 72 -2.751 -13.205 7.328 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.044 -13.323 9.862 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.223 -13.899 10.994 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.277 -13.345 12.268 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.395 -14.995 10.791 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.529 -13.867 13.305 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.644 -15.524 11.823 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.714 -14.957 13.078 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.967 -15.480 14.108 1.00 0.00 O ATOM 0 H TYR A 72 -5.461 -11.618 8.761 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.935 -11.495 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.059 -13.141 10.216 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.113 -14.061 9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.914 -12.492 12.450 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.337 -15.442 9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.582 -13.424 14.289 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.005 -16.377 11.648 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.449 -16.245 13.781 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.379 -11.618 8.142 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.362 -11.817 7.115 1.00 0.00 C ATOM 1052 C LEU A 73 0.605 -12.928 7.514 1.00 0.00 C ATOM 1053 O LEU A 73 0.542 -13.447 8.629 1.00 0.00 O ATOM 1054 CB LEU A 73 0.409 -10.517 6.874 1.00 0.00 C ATOM 1055 CG LEU A 73 1.152 -10.415 5.542 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.274 -10.907 4.402 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.603 -8.983 5.291 1.00 0.00 C ATOM 0 H LEU A 73 -1.153 -10.895 8.825 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.864 -12.111 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.292 -9.685 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.131 -10.391 7.681 1.00 0.00 H new ATOM 0 HG LEU A 73 2.037 -11.050 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.820 -10.827 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.001 -11.948 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.629 -10.299 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.130 -8.929 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.733 -8.327 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.270 -8.666 6.093 1.00 0.00 H new ATOM 1069 N CYS A 74 1.497 -13.285 6.598 1.00 0.00 N ATOM 1070 CA CYS A 74 2.479 -14.334 6.854 1.00 0.00 C ATOM 1071 C CYS A 74 2.904 -14.334 8.319 1.00 0.00 C ATOM 1072 O CYS A 74 3.849 -13.644 8.701 1.00 0.00 O ATOM 1073 CB CYS A 74 3.702 -14.148 5.955 1.00 0.00 C ATOM 1074 SG CYS A 74 3.474 -14.750 4.266 1.00 0.00 S ATOM 0 H CYS A 74 1.561 -12.864 5.671 1.00 0.00 H new ATOM 0 HA CYS A 74 2.015 -15.294 6.629 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.957 -13.089 5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.551 -14.665 6.402 1.00 0.00 H new ATOM 0 HG CYS A 74 4.561 -14.547 3.582 1.00 0.00 H new ATOM 1080 N ASN A 75 2.199 -15.110 9.135 1.00 0.00 N ATOM 1081 CA ASN A 75 2.502 -15.198 10.559 1.00 0.00 C ATOM 1082 C ASN A 75 2.821 -13.821 11.133 1.00 0.00 C ATOM 1083 O ASN A 75 3.804 -13.650 11.854 1.00 0.00 O ATOM 1084 CB ASN A 75 3.680 -16.146 10.793 1.00 0.00 C ATOM 1085 CG ASN A 75 3.265 -17.604 10.758 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.204 -17.946 10.234 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.101 -18.471 11.317 1.00 0.00 N ATOM 0 H ASN A 75 1.414 -15.687 8.835 1.00 0.00 H new ATOM 0 HA ASN A 75 1.622 -15.590 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.441 -15.969 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.135 -15.924 11.758 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.875 -19.466 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.969 -18.142 11.740 1.00 0.00 H new ATOM 1094 N ARG A 76 1.983 -12.842 10.808 1.00 0.00 N ATOM 1095 CA ARG A 76 2.176 -11.479 11.290 1.00 0.00 C ATOM 1096 C ARG A 76 0.961 -10.613 10.974 1.00 0.00 C ATOM 1097 O ARG A 76 0.728 -10.221 9.830 1.00 0.00 O ATOM 1098 CB ARG A 76 3.430 -10.866 10.663 1.00 0.00 C ATOM 1099 CG ARG A 76 4.722 -11.297 11.339 1.00 0.00 C ATOM 1100 CD ARG A 76 5.779 -10.206 11.266 1.00 0.00 C ATOM 1101 NE ARG A 76 5.705 -9.296 12.406 1.00 0.00 N ATOM 1102 CZ ARG A 76 5.948 -9.666 13.659 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.278 -10.921 13.931 1.00 0.00 N ATOM 1104 NH2 ARG A 76 5.861 -8.779 14.642 1.00 0.00 N ATOM 0 H ARG A 76 1.164 -12.967 10.213 1.00 0.00 H new ATOM 0 HA ARG A 76 2.301 -11.518 12.372 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.471 -11.142 9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.353 -9.780 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.524 -11.544 12.382 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.099 -12.203 10.863 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.769 -10.662 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.654 -9.641 10.342 1.00 0.00 H new ATOM 0 HE ARG A 76 5.453 -8.323 12.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.346 -11.605 13.178 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.464 -11.202 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.607 -7.813 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.048 -9.063 15.604 1.00 0.00 H new ATOM 1118 N PRO A 77 0.165 -10.308 12.009 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.040 -9.486 11.867 1.00 0.00 C ATOM 1120 C PRO A 77 -0.714 -8.028 11.561 1.00 0.00 C ATOM 1121 O PRO A 77 -0.346 -7.264 12.455 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.716 -9.607 13.235 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.607 -9.919 14.179 1.00 0.00 C ATOM 1124 CD PRO A 77 0.381 -10.742 13.400 1.00 0.00 C ATOM 0 HA PRO A 77 -1.664 -9.818 11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.221 -8.681 13.510 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.470 -10.394 13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.145 -9.006 14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.975 -10.468 15.046 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.404 -10.555 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.198 -11.810 13.521 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.851 -7.648 10.295 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.572 -6.281 9.874 1.00 0.00 C ATOM 1134 C ILE A 78 -1.684 -5.333 10.312 1.00 0.00 C ATOM 1135 O ILE A 78 -2.790 -5.764 10.638 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.405 -6.187 8.346 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.758 -6.350 7.651 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.580 -7.238 7.855 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.730 -5.994 6.181 1.00 0.00 C ATOM 0 H ILE A 78 -1.153 -8.268 9.543 1.00 0.00 H new ATOM 0 HA ILE A 78 0.362 -5.987 10.353 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.008 -5.202 8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.091 -7.382 7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.494 -5.723 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.687 -7.159 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.549 -7.078 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.210 -8.231 8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.723 -6.133 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.428 -4.953 6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.019 -6.638 5.664 1.00 0.00 H new ATOM 1151 N THR A 79 -1.383 -4.038 10.315 1.00 0.00 N ATOM 1152 CA THR A 79 -2.356 -3.029 10.712 1.00 0.00 C ATOM 1153 C THR A 79 -2.295 -1.815 9.792 1.00 0.00 C ATOM 1154 O THR A 79 -1.304 -1.085 9.775 1.00 0.00 O ATOM 1155 CB THR A 79 -2.128 -2.569 12.165 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.769 -2.153 12.340 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.451 -3.689 13.143 1.00 0.00 C ATOM 0 H THR A 79 -0.473 -3.664 10.047 1.00 0.00 H new ATOM 0 HA THR A 79 -3.340 -3.492 10.635 1.00 0.00 H new ATOM 0 HB THR A 79 -2.793 -1.729 12.366 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.520 -1.537 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.283 -3.342 14.162 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.494 -3.983 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.808 -4.545 12.941 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.361 -1.604 9.027 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.430 -0.476 8.105 1.00 0.00 C ATOM 1167 C VAL A 80 -4.147 0.710 8.739 1.00 0.00 C ATOM 1168 O VAL A 80 -5.280 0.587 9.204 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.153 -0.861 6.800 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.272 0.344 5.880 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.425 -2.002 6.106 1.00 0.00 C ATOM 0 H VAL A 80 -4.189 -2.199 9.027 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.403 -0.194 7.873 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.159 -1.199 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.785 0.053 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.840 1.129 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.277 0.715 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.949 -2.262 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.407 -1.693 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.397 -2.870 6.765 1.00 0.00 H new ATOM 1181 N SER A 81 -3.479 1.859 8.755 1.00 0.00 N ATOM 1182 CA SER A 81 -4.051 3.068 9.336 1.00 0.00 C ATOM 1183 C SER A 81 -3.571 4.309 8.589 1.00 0.00 C ATOM 1184 O SER A 81 -2.380 4.461 8.315 1.00 0.00 O ATOM 1185 CB SER A 81 -3.678 3.174 10.816 1.00 0.00 C ATOM 1186 OG SER A 81 -4.548 2.394 11.618 1.00 0.00 O ATOM 0 H SER A 81 -2.541 1.978 8.372 1.00 0.00 H new ATOM 0 HA SER A 81 -5.136 3.007 9.245 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.650 2.842 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.723 4.216 11.132 1.00 0.00 H new ATOM 0 HG SER A 81 -4.978 1.710 11.064 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.507 5.193 8.262 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.181 6.420 7.544 1.00 0.00 C ATOM 1194 C TYR A 82 -2.955 7.097 8.150 1.00 0.00 C ATOM 1195 O TYR A 82 -3.019 7.657 9.244 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.372 7.380 7.568 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.329 7.186 6.414 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.932 7.436 5.106 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.631 6.752 6.632 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.804 7.261 4.049 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.509 6.573 5.580 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.091 6.829 4.291 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.962 6.652 3.241 1.00 0.00 O ATOM 0 H TYR A 82 -5.497 5.083 8.482 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.954 6.158 6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.914 7.250 8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.002 8.405 7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.924 7.773 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.962 6.551 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.480 7.461 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.517 6.234 5.766 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.690 5.869 2.719 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.840 7.040 7.430 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.600 7.649 7.894 1.00 0.00 C ATOM 1215 C ALA A 83 -0.783 9.141 8.150 1.00 0.00 C ATOM 1216 O ALA A 83 -1.011 9.918 7.222 1.00 0.00 O ATOM 1217 CB ALA A 83 0.512 7.419 6.881 1.00 0.00 C ATOM 0 H ALA A 83 -1.770 6.578 6.523 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.323 7.176 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.432 7.879 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.669 6.348 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.232 7.864 5.926 1.00 0.00 H new