USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 109 MET CE :methyl -173:sc= -0.403 (180deg=-0.591) USER MOD Set 1.2: A 110 THR OG1 : rot 61:sc= -0.0416 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.798 K(o=0.35,f=-5.5!) USER MOD Set 2.1: A 62 THR OG1 : rot 65:sc= 0.933 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 1.1 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.054) USER MOD Single : A 60 ASN : amide:sc= -4.97! C(o=-5!,f=-7.9!) USER MOD Single : A 70 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 71 MET CE :methyl 158:sc= -1.66 (180deg=-2.86!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 140:sc=-0.00829 (180deg=-0.123) USER MOD Single : A 97 ASN : amide:sc= -3.69! K(o=-3.7!,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.837 0.142 -2.863 1.00 0.00 N ATOM 29 CA LEU A 48 12.648 0.091 -2.022 1.00 0.00 C ATOM 30 C LEU A 48 12.571 1.313 -1.115 1.00 0.00 C ATOM 31 O LEU A 48 11.500 1.872 -0.926 1.00 0.00 O ATOM 32 CB LEU A 48 12.615 -1.192 -1.174 1.00 0.00 C ATOM 33 CG LEU A 48 12.437 -2.512 -1.943 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.240 -2.431 -2.876 1.00 0.00 C ATOM 35 CD2 LEU A 48 13.697 -2.882 -2.713 1.00 0.00 C ATOM 0 HA LEU A 48 11.782 0.088 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.543 -1.250 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.803 -1.104 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 48 12.253 -3.300 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.131 -3.374 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.338 -2.237 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.391 -1.623 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.536 -3.820 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.930 -2.094 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.528 -2.997 -2.017 1.00 0.00 H new ATOM 47 N GLN A 49 13.710 1.724 -0.564 1.00 0.00 N ATOM 48 CA GLN A 49 13.760 2.893 0.309 1.00 0.00 C ATOM 49 C GLN A 49 13.329 4.139 -0.452 1.00 0.00 C ATOM 50 O GLN A 49 12.574 4.962 0.063 1.00 0.00 O ATOM 51 CB GLN A 49 15.172 3.090 0.870 1.00 0.00 C ATOM 52 CG GLN A 49 15.282 4.270 1.822 1.00 0.00 C ATOM 53 CD GLN A 49 16.702 4.527 2.284 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.515 3.607 2.381 1.00 0.00 O ATOM 55 NE2 GLN A 49 17.007 5.780 2.573 1.00 0.00 N ATOM 0 H GLN A 49 14.610 1.265 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 49 13.074 2.727 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.478 2.183 1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.867 3.233 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.898 5.164 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.650 4.089 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.302 6.511 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.947 6.016 2.891 1.00 0.00 H new ATOM 64 N ASP A 50 13.802 4.254 -1.688 1.00 0.00 N ATOM 65 CA ASP A 50 13.460 5.381 -2.550 1.00 0.00 C ATOM 66 C ASP A 50 11.953 5.466 -2.749 1.00 0.00 C ATOM 67 O ASP A 50 11.343 6.525 -2.572 1.00 0.00 O ATOM 68 CB ASP A 50 14.160 5.227 -3.901 1.00 0.00 C ATOM 69 CG ASP A 50 13.580 6.122 -4.978 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.868 7.340 -4.965 1.00 0.00 O ATOM 71 OD2 ASP A 50 12.826 5.621 -5.831 1.00 0.00 O ATOM 0 H ASP A 50 14.429 3.574 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 50 13.796 6.302 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.220 5.452 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.089 4.188 -4.224 1.00 0.00 H new ATOM 76 N MET A 51 11.355 4.335 -3.086 1.00 0.00 N ATOM 77 CA MET A 51 9.923 4.278 -3.315 1.00 0.00 C ATOM 78 C MET A 51 9.158 4.506 -2.010 1.00 0.00 C ATOM 79 O MET A 51 8.071 5.079 -2.018 1.00 0.00 O ATOM 80 CB MET A 51 9.534 2.940 -3.946 1.00 0.00 C ATOM 81 CG MET A 51 8.100 2.903 -4.445 1.00 0.00 C ATOM 82 SD MET A 51 7.757 4.191 -5.660 1.00 0.00 S ATOM 83 CE MET A 51 6.056 3.816 -6.075 1.00 0.00 C ATOM 0 H MET A 51 11.839 3.446 -3.207 1.00 0.00 H new ATOM 0 HA MET A 51 9.654 5.074 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.206 2.730 -4.778 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.677 2.146 -3.213 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.898 1.928 -4.888 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.422 3.016 -3.599 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.697 4.528 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.995 2.806 -6.480 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.439 3.886 -5.179 1.00 0.00 H new ATOM 93 N ILE A 52 9.735 4.076 -0.885 1.00 0.00 N ATOM 94 CA ILE A 52 9.136 4.337 0.422 1.00 0.00 C ATOM 95 C ILE A 52 9.088 5.839 0.660 1.00 0.00 C ATOM 96 O ILE A 52 8.060 6.384 1.048 1.00 0.00 O ATOM 97 CB ILE A 52 9.926 3.674 1.583 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.792 2.150 1.539 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.451 4.203 2.932 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.613 1.429 2.589 1.00 0.00 C ATOM 0 H ILE A 52 10.609 3.550 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 52 8.135 3.906 0.411 1.00 0.00 H new ATOM 0 HB ILE A 52 10.978 3.931 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.743 1.884 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.092 1.797 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.018 3.725 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.604 5.281 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.391 3.981 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.464 0.354 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.668 1.663 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.298 1.751 3.582 1.00 0.00 H new ATOM 112 N ASN A 53 10.204 6.495 0.371 1.00 0.00 N ATOM 113 CA ASN A 53 10.343 7.928 0.601 1.00 0.00 C ATOM 114 C ASN A 53 9.347 8.715 -0.241 1.00 0.00 C ATOM 115 O ASN A 53 8.877 9.775 0.170 1.00 0.00 O ATOM 116 CB ASN A 53 11.772 8.395 0.295 1.00 0.00 C ATOM 117 CG ASN A 53 12.797 7.884 1.295 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.964 7.681 0.954 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.380 7.679 2.538 1.00 0.00 N ATOM 0 H ASN A 53 11.033 6.053 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 53 10.132 8.115 1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.051 8.060 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.797 9.485 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.033 7.343 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.407 7.858 2.785 1.00 0.00 H new ATOM 126 N GLU A 54 9.007 8.187 -1.412 1.00 0.00 N ATOM 127 CA GLU A 54 8.077 8.865 -2.309 1.00 0.00 C ATOM 128 C GLU A 54 6.619 8.631 -1.921 1.00 0.00 C ATOM 129 O GLU A 54 5.769 9.495 -2.143 1.00 0.00 O ATOM 130 CB GLU A 54 8.307 8.413 -3.752 1.00 0.00 C ATOM 131 CG GLU A 54 9.538 9.032 -4.384 1.00 0.00 C ATOM 132 CD GLU A 54 9.470 10.545 -4.394 1.00 0.00 C ATOM 133 OE1 GLU A 54 8.518 11.098 -4.982 1.00 0.00 O ATOM 134 OE2 GLU A 54 10.380 11.185 -3.830 1.00 0.00 O ATOM 0 H GLU A 54 9.359 7.296 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 54 8.273 9.934 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.402 7.327 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.432 8.669 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.426 8.712 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.644 8.667 -5.406 1.00 0.00 H new ATOM 141 N VAL A 55 6.326 7.472 -1.353 1.00 0.00 N ATOM 142 CA VAL A 55 4.948 7.122 -1.025 1.00 0.00 C ATOM 143 C VAL A 55 4.589 7.538 0.403 1.00 0.00 C ATOM 144 O VAL A 55 3.438 7.871 0.687 1.00 0.00 O ATOM 145 CB VAL A 55 4.705 5.606 -1.210 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.286 5.228 -0.832 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.994 5.195 -2.645 1.00 0.00 C ATOM 0 H VAL A 55 7.016 6.761 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 55 4.303 7.669 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 55 5.385 5.073 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.145 4.156 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.107 5.484 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.584 5.772 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.818 4.125 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.338 5.745 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.033 5.420 -2.886 1.00 0.00 H new ATOM 157 N ASP A 56 5.583 7.519 1.282 1.00 0.00 N ATOM 158 CA ASP A 56 5.413 7.917 2.686 1.00 0.00 C ATOM 159 C ASP A 56 4.951 9.373 2.825 1.00 0.00 C ATOM 160 O ASP A 56 5.757 10.298 2.951 1.00 0.00 O ATOM 161 CB ASP A 56 6.722 7.689 3.434 1.00 0.00 C ATOM 162 CG ASP A 56 6.631 8.022 4.900 1.00 0.00 C ATOM 163 OD1 ASP A 56 5.542 7.863 5.492 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.660 8.446 5.470 1.00 0.00 O ATOM 0 H ASP A 56 6.532 7.228 1.048 1.00 0.00 H new ATOM 0 HA ASP A 56 4.628 7.300 3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.020 6.647 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.505 8.295 2.978 1.00 0.00 H new ATOM 169 N ALA A 57 3.637 9.545 2.788 1.00 0.00 N ATOM 170 CA ALA A 57 3.012 10.868 2.809 1.00 0.00 C ATOM 171 C ALA A 57 3.011 11.508 4.198 1.00 0.00 C ATOM 172 O ALA A 57 3.255 12.708 4.329 1.00 0.00 O ATOM 173 CB ALA A 57 1.595 10.790 2.264 1.00 0.00 C ATOM 0 H ALA A 57 2.971 8.774 2.743 1.00 0.00 H new ATOM 0 HA ALA A 57 3.617 11.510 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.142 11.781 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.620 10.424 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.006 10.109 2.878 1.00 0.00 H new ATOM 179 N ASP A 58 2.748 10.722 5.235 1.00 0.00 N ATOM 180 CA ASP A 58 2.666 11.281 6.587 1.00 0.00 C ATOM 181 C ASP A 58 4.028 11.259 7.245 1.00 0.00 C ATOM 182 O ASP A 58 4.269 11.962 8.225 1.00 0.00 O ATOM 183 CB ASP A 58 1.708 10.494 7.486 1.00 0.00 C ATOM 184 CG ASP A 58 0.313 10.363 6.933 1.00 0.00 C ATOM 185 OD1 ASP A 58 -0.376 11.391 6.781 1.00 0.00 O ATOM 186 OD2 ASP A 58 -0.103 9.212 6.665 1.00 0.00 O ATOM 0 H ASP A 58 2.590 9.716 5.174 1.00 0.00 H new ATOM 0 HA ASP A 58 2.296 12.300 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.117 9.497 7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.657 10.982 8.459 1.00 0.00 H new ATOM 191 N GLY A 59 4.913 10.442 6.705 1.00 0.00 N ATOM 192 CA GLY A 59 6.213 10.264 7.304 1.00 0.00 C ATOM 193 C GLY A 59 6.227 9.084 8.250 1.00 0.00 C ATOM 194 O GLY A 59 7.234 8.815 8.905 1.00 0.00 O ATOM 0 H GLY A 59 4.753 9.896 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.958 10.115 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.494 11.168 7.844 1.00 0.00 H new ATOM 198 N ASN A 60 5.100 8.375 8.325 1.00 0.00 N ATOM 199 CA ASN A 60 4.972 7.220 9.206 1.00 0.00 C ATOM 200 C ASN A 60 5.669 5.979 8.636 1.00 0.00 C ATOM 201 O ASN A 60 5.642 4.912 9.250 1.00 0.00 O ATOM 202 CB ASN A 60 3.485 6.936 9.514 1.00 0.00 C ATOM 203 CG ASN A 60 2.632 6.609 8.292 1.00 0.00 C ATOM 204 OD1 ASN A 60 2.151 7.500 7.582 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.382 5.336 8.066 1.00 0.00 N ATOM 0 H ASN A 60 4.261 8.584 7.783 1.00 0.00 H new ATOM 0 HA ASN A 60 5.478 7.462 10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.426 6.103 10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.059 7.805 10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.779 5.065 7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.792 4.621 8.667 1.00 0.00 H new ATOM 212 N GLY A 61 6.271 6.114 7.457 1.00 0.00 N ATOM 213 CA GLY A 61 7.159 5.076 6.942 1.00 0.00 C ATOM 214 C GLY A 61 6.431 3.984 6.184 1.00 0.00 C ATOM 215 O GLY A 61 7.033 2.997 5.760 1.00 0.00 O ATOM 0 H GLY A 61 6.162 6.923 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.898 5.534 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.705 4.629 7.773 1.00 0.00 H new ATOM 219 N THR A 62 5.140 4.159 6.029 1.00 0.00 N ATOM 220 CA THR A 62 4.315 3.179 5.351 1.00 0.00 C ATOM 221 C THR A 62 3.040 3.845 4.889 1.00 0.00 C ATOM 222 O THR A 62 2.714 4.939 5.346 1.00 0.00 O ATOM 223 CB THR A 62 3.978 1.985 6.280 1.00 0.00 C ATOM 224 OG1 THR A 62 3.516 0.867 5.513 1.00 0.00 O ATOM 225 CG2 THR A 62 2.910 2.357 7.294 1.00 0.00 C ATOM 0 H THR A 62 4.632 4.977 6.365 1.00 0.00 H new ATOM 0 HA THR A 62 4.868 2.790 4.496 1.00 0.00 H new ATOM 0 HB THR A 62 4.893 1.719 6.809 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.241 0.541 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.697 1.498 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.264 3.184 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.001 2.656 6.772 1.00 0.00 H new ATOM 233 N ILE A 63 2.329 3.207 3.983 1.00 0.00 N ATOM 234 CA ILE A 63 1.008 3.661 3.641 1.00 0.00 C ATOM 235 C ILE A 63 0.026 3.133 4.673 1.00 0.00 C ATOM 236 O ILE A 63 0.086 1.967 5.069 1.00 0.00 O ATOM 237 CB ILE A 63 0.592 3.229 2.211 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.509 4.450 1.292 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.730 2.474 2.214 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.067 4.125 -0.122 1.00 0.00 C ATOM 0 H ILE A 63 2.645 2.380 3.477 1.00 0.00 H new ATOM 0 HA ILE A 63 1.003 4.751 3.647 1.00 0.00 H new ATOM 0 HB ILE A 63 1.357 2.551 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.186 5.171 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.486 4.932 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.988 2.188 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.637 1.579 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.513 3.114 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.033 5.041 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.774 3.429 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.924 3.671 -0.098 1.00 0.00 H new ATOM 252 N ASP A 64 -0.858 3.997 5.117 1.00 0.00 N ATOM 253 CA ASP A 64 -1.896 3.616 6.049 1.00 0.00 C ATOM 254 C ASP A 64 -3.212 3.696 5.299 1.00 0.00 C ATOM 255 O ASP A 64 -3.216 4.102 4.134 1.00 0.00 O ATOM 256 CB ASP A 64 -1.884 4.515 7.296 1.00 0.00 C ATOM 257 CG ASP A 64 -1.669 5.979 6.976 1.00 0.00 C ATOM 258 OD1 ASP A 64 -2.540 6.591 6.335 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.606 6.533 7.361 1.00 0.00 O ATOM 0 H ASP A 64 -0.879 4.980 4.844 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.736 2.603 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.829 4.401 7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.097 4.178 7.971 1.00 0.00 H new ATOM 264 N PHE A 65 -4.313 3.305 5.920 1.00 0.00 N ATOM 265 CA PHE A 65 -5.596 3.280 5.222 1.00 0.00 C ATOM 266 C PHE A 65 -5.936 4.626 4.566 1.00 0.00 C ATOM 267 O PHE A 65 -6.252 4.662 3.374 1.00 0.00 O ATOM 268 CB PHE A 65 -6.716 2.810 6.151 1.00 0.00 C ATOM 269 CG PHE A 65 -6.620 1.348 6.470 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.156 0.410 5.610 1.00 0.00 C ATOM 271 CD2 PHE A 65 -5.979 0.913 7.616 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.057 -0.938 5.886 1.00 0.00 C ATOM 273 CE2 PHE A 65 -5.877 -0.434 7.901 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.416 -1.361 7.033 1.00 0.00 C ATOM 0 H PHE A 65 -4.349 3.003 6.894 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.503 2.558 4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.681 3.384 7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.680 3.015 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.658 0.735 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.553 1.636 8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.481 -1.662 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.377 -0.761 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.337 -2.416 7.251 1.00 0.00 H new ATOM 284 N PRO A 66 -5.872 5.754 5.310 1.00 0.00 N ATOM 285 CA PRO A 66 -6.078 7.081 4.719 1.00 0.00 C ATOM 286 C PRO A 66 -5.086 7.377 3.590 1.00 0.00 C ATOM 287 O PRO A 66 -5.462 7.929 2.551 1.00 0.00 O ATOM 288 CB PRO A 66 -5.855 8.039 5.890 1.00 0.00 C ATOM 289 CG PRO A 66 -6.118 7.220 7.103 1.00 0.00 C ATOM 290 CD PRO A 66 -5.647 5.836 6.768 1.00 0.00 C ATOM 0 HA PRO A 66 -7.064 7.171 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.839 8.433 5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.529 8.894 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.584 7.617 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.179 7.222 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.597 5.694 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.212 5.076 7.307 1.00 0.00 H new ATOM 298 N GLU A 67 -3.824 7.002 3.795 1.00 0.00 N ATOM 299 CA GLU A 67 -2.781 7.234 2.809 1.00 0.00 C ATOM 300 C GLU A 67 -3.069 6.502 1.504 1.00 0.00 C ATOM 301 O GLU A 67 -3.093 7.117 0.441 1.00 0.00 O ATOM 302 CB GLU A 67 -1.450 6.769 3.369 1.00 0.00 C ATOM 303 CG GLU A 67 -0.342 7.790 3.254 1.00 0.00 C ATOM 304 CD GLU A 67 0.695 7.580 4.324 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.683 6.552 5.004 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.609 8.409 4.430 1.00 0.00 O ATOM 0 H GLU A 67 -3.502 6.534 4.642 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.748 8.302 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.581 6.508 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.147 5.860 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.124 7.718 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.757 8.794 3.337 1.00 0.00 H new ATOM 313 N PHE A 68 -3.291 5.190 1.593 1.00 0.00 N ATOM 314 CA PHE A 68 -3.495 4.364 0.405 1.00 0.00 C ATOM 315 C PHE A 68 -4.663 4.873 -0.413 1.00 0.00 C ATOM 316 O PHE A 68 -4.568 4.988 -1.629 1.00 0.00 O ATOM 317 CB PHE A 68 -3.739 2.900 0.775 1.00 0.00 C ATOM 318 CG PHE A 68 -3.694 1.969 -0.408 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.487 1.637 -1.005 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.863 1.429 -0.925 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.448 0.785 -2.094 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.829 0.575 -2.012 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.598 0.249 -2.593 1.00 0.00 C ATOM 0 H PHE A 68 -3.334 4.678 2.474 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.583 4.428 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.990 2.587 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.711 2.813 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.567 2.048 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.811 1.679 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.500 0.543 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.745 0.163 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.559 -0.426 -3.435 1.00 0.00 H new ATOM 333 N LEU A 69 -5.758 5.189 0.263 1.00 0.00 N ATOM 334 CA LEU A 69 -6.944 5.682 -0.413 1.00 0.00 C ATOM 335 C LEU A 69 -6.670 6.982 -1.141 1.00 0.00 C ATOM 336 O LEU A 69 -7.137 7.181 -2.263 1.00 0.00 O ATOM 337 CB LEU A 69 -8.095 5.863 0.575 1.00 0.00 C ATOM 338 CG LEU A 69 -8.953 4.619 0.765 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.155 4.918 1.647 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.386 4.099 -0.595 1.00 0.00 C ATOM 0 H LEU A 69 -5.848 5.112 1.276 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.231 4.935 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.687 6.161 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.730 6.680 0.231 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.367 3.851 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.752 4.014 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.813 5.260 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.763 5.695 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.001 3.208 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.963 4.866 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.505 3.849 -1.186 1.00 0.00 H new ATOM 352 N THR A 70 -5.898 7.854 -0.518 1.00 0.00 N ATOM 353 CA THR A 70 -5.601 9.141 -1.108 1.00 0.00 C ATOM 354 C THR A 70 -4.565 9.002 -2.228 1.00 0.00 C ATOM 355 O THR A 70 -4.683 9.630 -3.272 1.00 0.00 O ATOM 356 CB THR A 70 -5.096 10.134 -0.044 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.011 10.168 1.061 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.947 11.535 -0.621 1.00 0.00 C ATOM 0 H THR A 70 -5.468 7.693 0.393 1.00 0.00 H new ATOM 0 HA THR A 70 -6.526 9.530 -1.534 1.00 0.00 H new ATOM 0 HB THR A 70 -4.116 9.796 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.964 9.321 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.589 12.212 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.232 11.516 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.913 11.882 -0.988 1.00 0.00 H new ATOM 366 N MET A 71 -3.545 8.185 -1.993 1.00 0.00 N ATOM 367 CA MET A 71 -2.530 7.890 -3.005 1.00 0.00 C ATOM 368 C MET A 71 -3.134 7.161 -4.199 1.00 0.00 C ATOM 369 O MET A 71 -2.658 7.300 -5.325 1.00 0.00 O ATOM 370 CB MET A 71 -1.392 7.052 -2.410 1.00 0.00 C ATOM 371 CG MET A 71 -0.498 7.806 -1.435 1.00 0.00 C ATOM 372 SD MET A 71 0.915 8.616 -2.223 1.00 0.00 S ATOM 373 CE MET A 71 0.120 9.855 -3.245 1.00 0.00 C ATOM 0 H MET A 71 -3.396 7.710 -1.103 1.00 0.00 H new ATOM 0 HA MET A 71 -2.127 8.843 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.821 6.190 -1.899 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.778 6.666 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.093 8.557 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.132 7.111 -0.679 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.829 10.652 -3.469 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.217 9.398 -4.175 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.736 10.270 -2.714 1.00 0.00 H new ATOM 383 N MET A 72 -4.164 6.366 -3.947 1.00 0.00 N ATOM 384 CA MET A 72 -4.892 5.718 -5.024 1.00 0.00 C ATOM 385 C MET A 72 -5.678 6.768 -5.796 1.00 0.00 C ATOM 386 O MET A 72 -5.368 7.059 -6.954 1.00 0.00 O ATOM 387 CB MET A 72 -5.840 4.645 -4.481 1.00 0.00 C ATOM 388 CG MET A 72 -6.496 3.808 -5.568 1.00 0.00 C ATOM 389 SD MET A 72 -7.729 2.660 -4.923 1.00 0.00 S ATOM 390 CE MET A 72 -8.220 1.823 -6.428 1.00 0.00 C ATOM 0 H MET A 72 -4.512 6.156 -3.011 1.00 0.00 H new ATOM 0 HA MET A 72 -4.178 5.228 -5.686 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.286 3.987 -3.812 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.616 5.125 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.968 4.470 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.728 3.247 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.981 1.078 -6.198 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.624 2.549 -7.133 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.353 1.332 -6.870 1.00 0.00 H new ATOM 400 N ALA A 73 -6.689 7.345 -5.131 1.00 0.00 N ATOM 401 CA ALA A 73 -7.504 8.422 -5.690 1.00 0.00 C ATOM 402 C ALA A 73 -6.677 9.586 -6.210 1.00 0.00 C ATOM 403 O ALA A 73 -7.204 10.444 -6.922 1.00 0.00 O ATOM 404 CB ALA A 73 -8.485 8.923 -4.644 1.00 0.00 C ATOM 0 H ALA A 73 -6.962 7.073 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.037 8.002 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.089 9.726 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.135 8.105 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.936 9.299 -3.781 1.00 0.00 H new ATOM 410 N ARG A 74 -5.405 9.635 -5.822 1.00 0.00 N ATOM 411 CA ARG A 74 -4.482 10.637 -6.326 1.00 0.00 C ATOM 412 C ARG A 74 -4.634 10.766 -7.839 1.00 0.00 C ATOM 413 O ARG A 74 -4.807 11.864 -8.371 1.00 0.00 O ATOM 414 CB ARG A 74 -3.034 10.271 -5.972 1.00 0.00 C ATOM 415 CG ARG A 74 -1.992 11.295 -6.417 1.00 0.00 C ATOM 416 CD ARG A 74 -2.006 12.547 -5.549 1.00 0.00 C ATOM 417 NE ARG A 74 -3.246 13.312 -5.693 1.00 0.00 N ATOM 418 CZ ARG A 74 -3.902 13.868 -4.674 1.00 0.00 C ATOM 419 NH1 ARG A 74 -3.415 13.789 -3.439 1.00 0.00 N ATOM 420 NH2 ARG A 74 -5.037 14.517 -4.893 1.00 0.00 N ATOM 0 H ARG A 74 -4.992 8.984 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.718 11.592 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.959 10.142 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.795 9.309 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.001 10.842 -6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.178 11.572 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.877 12.263 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.159 13.180 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.632 13.427 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.536 13.301 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.921 14.216 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.408 14.591 -5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.540 14.943 -4.114 1.00 0.00 H new ATOM 544 N GLU A 82 -13.936 0.030 2.721 1.00 0.00 N ATOM 545 CA GLU A 82 -12.944 -0.154 3.767 1.00 0.00 C ATOM 546 C GLU A 82 -12.564 -1.619 3.952 1.00 0.00 C ATOM 547 O GLU A 82 -11.410 -1.923 4.237 1.00 0.00 O ATOM 548 CB GLU A 82 -13.448 0.437 5.081 1.00 0.00 C ATOM 549 CG GLU A 82 -12.392 0.454 6.176 1.00 0.00 C ATOM 550 CD GLU A 82 -12.823 1.238 7.395 1.00 0.00 C ATOM 551 OE1 GLU A 82 -13.528 0.675 8.255 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.442 2.422 7.503 1.00 0.00 O ATOM 0 HA GLU A 82 -12.042 0.374 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.795 1.455 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.308 -0.138 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.164 -0.570 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.472 0.884 5.780 1.00 0.00 H new ATOM 559 N GLU A 83 -13.529 -2.519 3.805 1.00 0.00 N ATOM 560 CA GLU A 83 -13.249 -3.951 3.857 1.00 0.00 C ATOM 561 C GLU A 83 -12.343 -4.379 2.700 1.00 0.00 C ATOM 562 O GLU A 83 -11.351 -5.072 2.903 1.00 0.00 O ATOM 563 CB GLU A 83 -14.556 -4.748 3.813 1.00 0.00 C ATOM 564 CG GLU A 83 -15.496 -4.304 2.703 1.00 0.00 C ATOM 565 CD GLU A 83 -16.660 -5.244 2.501 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.477 -5.396 3.428 1.00 0.00 O ATOM 567 OE2 GLU A 83 -16.771 -5.830 1.404 1.00 0.00 O ATOM 0 H GLU A 83 -14.509 -2.285 3.649 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.731 -4.157 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.324 -5.805 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.065 -4.650 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.876 -3.309 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.936 -4.223 1.771 1.00 0.00 H new ATOM 574 N GLU A 84 -12.674 -3.927 1.497 1.00 0.00 N ATOM 575 CA GLU A 84 -11.957 -4.290 0.303 1.00 0.00 C ATOM 576 C GLU A 84 -10.561 -3.670 0.313 1.00 0.00 C ATOM 577 O GLU A 84 -9.584 -4.300 -0.082 1.00 0.00 O ATOM 578 CB GLU A 84 -12.777 -3.798 -0.883 1.00 0.00 C ATOM 579 CG GLU A 84 -12.125 -4.013 -2.216 1.00 0.00 C ATOM 580 CD GLU A 84 -12.061 -5.472 -2.610 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.127 -6.121 -2.668 1.00 0.00 O ATOM 582 OE2 GLU A 84 -10.952 -5.977 -2.876 1.00 0.00 O ATOM 0 H GLU A 84 -13.456 -3.293 1.332 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.822 -5.370 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.742 -4.305 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.975 -2.734 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.675 -3.460 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.115 -3.604 -2.191 1.00 0.00 H new ATOM 589 N ILE A 85 -10.480 -2.435 0.791 1.00 0.00 N ATOM 590 CA ILE A 85 -9.208 -1.745 0.898 1.00 0.00 C ATOM 591 C ILE A 85 -8.334 -2.425 1.951 1.00 0.00 C ATOM 592 O ILE A 85 -7.133 -2.587 1.763 1.00 0.00 O ATOM 593 CB ILE A 85 -9.391 -0.246 1.239 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.345 0.415 0.238 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.049 0.481 1.231 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.878 0.325 -1.200 1.00 0.00 C ATOM 0 H ILE A 85 -11.283 -1.893 1.110 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.716 -1.800 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.818 -0.177 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.326 -0.052 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.468 1.464 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.203 1.532 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.387 0.031 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.597 0.399 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.604 0.814 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.911 0.818 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.783 -0.722 -1.487 1.00 0.00 H new ATOM 608 N ARG A 86 -8.959 -2.855 3.045 1.00 0.00 N ATOM 609 CA ARG A 86 -8.260 -3.583 4.098 1.00 0.00 C ATOM 610 C ARG A 86 -7.745 -4.911 3.553 1.00 0.00 C ATOM 611 O ARG A 86 -6.612 -5.320 3.827 1.00 0.00 O ATOM 612 CB ARG A 86 -9.212 -3.820 5.280 1.00 0.00 C ATOM 613 CG ARG A 86 -8.532 -4.214 6.587 1.00 0.00 C ATOM 614 CD ARG A 86 -8.048 -5.659 6.593 1.00 0.00 C ATOM 615 NE ARG A 86 -9.125 -6.605 6.304 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.008 -7.033 7.200 1.00 0.00 C ATOM 617 NH1 ARG A 86 -9.927 -6.639 8.468 1.00 0.00 N ATOM 618 NH2 ARG A 86 -10.967 -7.870 6.821 1.00 0.00 N ATOM 0 H ARG A 86 -9.953 -2.710 3.224 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.410 -2.996 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.791 -2.912 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.920 -4.603 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.684 -3.552 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.229 -4.066 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.255 -5.778 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.615 -5.891 7.566 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.204 -6.960 5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.183 -6.004 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.609 -6.972 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.021 -8.178 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.650 -8.205 7.501 1.00 0.00 H new ATOM 632 N GLU A 87 -8.576 -5.564 2.755 1.00 0.00 N ATOM 633 CA GLU A 87 -8.211 -6.829 2.152 1.00 0.00 C ATOM 634 C GLU A 87 -7.092 -6.610 1.146 1.00 0.00 C ATOM 635 O GLU A 87 -6.211 -7.451 0.985 1.00 0.00 O ATOM 636 CB GLU A 87 -9.427 -7.473 1.489 1.00 0.00 C ATOM 637 CG GLU A 87 -9.884 -8.752 2.168 1.00 0.00 C ATOM 638 CD GLU A 87 -10.105 -8.582 3.661 1.00 0.00 C ATOM 639 OE1 GLU A 87 -9.111 -8.572 4.413 1.00 0.00 O ATOM 640 OE2 GLU A 87 -11.269 -8.472 4.097 1.00 0.00 O ATOM 0 H GLU A 87 -9.510 -5.234 2.512 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.855 -7.508 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.250 -6.759 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.190 -7.689 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.810 -9.092 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.140 -9.531 2.002 1.00 0.00 H new ATOM 647 N ALA A 88 -7.122 -5.450 0.497 1.00 0.00 N ATOM 648 CA ALA A 88 -6.072 -5.054 -0.432 1.00 0.00 C ATOM 649 C ALA A 88 -4.753 -4.853 0.309 1.00 0.00 C ATOM 650 O ALA A 88 -3.700 -5.251 -0.178 1.00 0.00 O ATOM 651 CB ALA A 88 -6.463 -3.785 -1.180 1.00 0.00 C ATOM 0 H ALA A 88 -7.869 -4.763 0.600 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.942 -5.853 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.664 -3.508 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.381 -3.962 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.624 -2.977 -0.466 1.00 0.00 H new ATOM 657 N PHE A 89 -4.821 -4.249 1.496 1.00 0.00 N ATOM 658 CA PHE A 89 -3.644 -4.089 2.352 1.00 0.00 C ATOM 659 C PHE A 89 -2.990 -5.438 2.619 1.00 0.00 C ATOM 660 O PHE A 89 -1.768 -5.564 2.593 1.00 0.00 O ATOM 661 CB PHE A 89 -4.021 -3.428 3.682 1.00 0.00 C ATOM 662 CG PHE A 89 -3.938 -1.930 3.663 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.834 -1.176 2.926 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.956 -1.276 4.387 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.754 0.201 2.912 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.871 0.102 4.376 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.771 0.839 3.635 1.00 0.00 C ATOM 0 H PHE A 89 -5.680 -3.862 1.887 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.936 -3.446 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.036 -3.722 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.364 -3.808 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.605 -1.671 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.248 -1.850 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.461 0.778 2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.102 0.602 4.946 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.705 1.917 3.622 1.00 0.00 H new ATOM 677 N ARG A 90 -3.821 -6.441 2.854 1.00 0.00 N ATOM 678 CA ARG A 90 -3.341 -7.791 3.132 1.00 0.00 C ATOM 679 C ARG A 90 -2.797 -8.461 1.866 1.00 0.00 C ATOM 680 O ARG A 90 -1.899 -9.302 1.937 1.00 0.00 O ATOM 681 CB ARG A 90 -4.471 -8.626 3.730 1.00 0.00 C ATOM 682 CG ARG A 90 -5.054 -8.022 4.999 1.00 0.00 C ATOM 683 CD ARG A 90 -6.289 -8.772 5.462 1.00 0.00 C ATOM 684 NE ARG A 90 -5.996 -10.158 5.815 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.871 -11.154 5.700 1.00 0.00 C ATOM 686 NH1 ARG A 90 -8.094 -10.917 5.239 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.526 -12.386 6.050 1.00 0.00 N ATOM 0 H ARG A 90 -4.837 -6.348 2.858 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.523 -7.723 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.264 -8.736 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.098 -9.627 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.302 -8.037 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.308 -6.977 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.718 -8.263 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.041 -8.752 4.673 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.065 -10.376 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.364 -9.970 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.763 -11.682 5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.589 -12.571 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.198 -13.148 5.961 1.00 0.00 H new ATOM 701 N VAL A 91 -3.348 -8.089 0.716 1.00 0.00 N ATOM 702 CA VAL A 91 -2.913 -8.649 -0.563 1.00 0.00 C ATOM 703 C VAL A 91 -1.616 -8.002 -1.045 1.00 0.00 C ATOM 704 O VAL A 91 -0.672 -8.698 -1.420 1.00 0.00 O ATOM 705 CB VAL A 91 -4.002 -8.491 -1.655 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.461 -8.890 -3.023 1.00 0.00 C ATOM 707 CG2 VAL A 91 -5.228 -9.324 -1.309 1.00 0.00 C ATOM 0 H VAL A 91 -4.098 -7.401 0.641 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.737 -9.711 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.292 -7.441 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.243 -8.771 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.613 -8.254 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.139 -9.931 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.982 -9.201 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.946 -10.375 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.635 -8.993 -0.353 1.00 0.00 H new ATOM 717 N PHE A 92 -1.576 -6.674 -1.042 1.00 0.00 N ATOM 718 CA PHE A 92 -0.391 -5.946 -1.482 1.00 0.00 C ATOM 719 C PHE A 92 0.798 -6.252 -0.579 1.00 0.00 C ATOM 720 O PHE A 92 1.909 -6.490 -1.053 1.00 0.00 O ATOM 721 CB PHE A 92 -0.655 -4.435 -1.520 1.00 0.00 C ATOM 722 CG PHE A 92 -1.457 -3.985 -2.712 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.841 -3.703 -3.920 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.833 -3.848 -2.620 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.579 -3.290 -5.012 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.577 -3.435 -3.709 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.929 -3.151 -4.919 1.00 0.00 C ATOM 0 H PHE A 92 -2.349 -6.081 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.153 -6.277 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.181 -4.145 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.300 -3.909 -1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.230 -3.807 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.330 -4.067 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.081 -3.076 -5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.649 -3.332 -3.628 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.500 -2.823 -5.775 1.00 0.00 H new ATOM 737 N ASP A 93 0.559 -6.252 0.724 1.00 0.00 N ATOM 738 CA ASP A 93 1.613 -6.547 1.686 1.00 0.00 C ATOM 739 C ASP A 93 2.088 -7.992 1.535 1.00 0.00 C ATOM 740 O ASP A 93 1.297 -8.906 1.295 1.00 0.00 O ATOM 741 CB ASP A 93 1.114 -6.300 3.114 1.00 0.00 C ATOM 742 CG ASP A 93 2.238 -6.236 4.132 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.288 -6.853 3.938 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.098 -5.571 5.163 1.00 0.00 O ATOM 0 H ASP A 93 -0.351 -6.052 1.139 1.00 0.00 H new ATOM 0 HA ASP A 93 2.455 -5.883 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.553 -5.366 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.422 -7.095 3.394 1.00 0.00 H new ATOM 749 N LYS A 94 3.387 -8.182 1.700 1.00 0.00 N ATOM 750 CA LYS A 94 4.004 -9.490 1.558 1.00 0.00 C ATOM 751 C LYS A 94 3.966 -10.241 2.882 1.00 0.00 C ATOM 752 O LYS A 94 3.889 -11.469 2.918 1.00 0.00 O ATOM 753 CB LYS A 94 5.445 -9.355 1.065 1.00 0.00 C ATOM 754 CG LYS A 94 6.292 -8.362 1.845 1.00 0.00 C ATOM 755 CD LYS A 94 7.717 -8.333 1.319 1.00 0.00 C ATOM 756 CE LYS A 94 8.547 -7.250 1.986 1.00 0.00 C ATOM 757 NZ LYS A 94 8.563 -7.389 3.467 1.00 0.00 N ATOM 0 H LYS A 94 4.041 -7.436 1.935 1.00 0.00 H new ATOM 0 HA LYS A 94 3.439 -10.058 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.923 -10.334 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.430 -9.055 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.853 -7.367 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.295 -8.632 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.185 -9.303 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.703 -8.167 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.568 -7.292 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.148 -6.272 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.517 -7.182 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.884 -6.722 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.299 -8.361 3.727 1.00 0.00 H new ATOM 771 N ASP A 95 4.030 -9.480 3.961 1.00 0.00 N ATOM 772 CA ASP A 95 3.991 -10.023 5.313 1.00 0.00 C ATOM 773 C ASP A 95 2.619 -9.802 5.941 1.00 0.00 C ATOM 774 O ASP A 95 2.339 -10.276 7.039 1.00 0.00 O ATOM 775 CB ASP A 95 5.068 -9.355 6.172 1.00 0.00 C ATOM 776 CG ASP A 95 5.013 -7.845 6.063 1.00 0.00 C ATOM 777 OD1 ASP A 95 4.069 -7.234 6.580 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.954 -7.235 5.521 1.00 0.00 O ATOM 0 H ASP A 95 4.111 -8.464 3.927 1.00 0.00 H new ATOM 0 HA ASP A 95 4.181 -11.095 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.938 -9.650 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.052 -9.707 5.861 1.00 0.00 H new ATOM 783 N GLY A 96 1.773 -9.085 5.206 1.00 0.00 N ATOM 784 CA GLY A 96 0.421 -8.772 5.646 1.00 0.00 C ATOM 785 C GLY A 96 0.323 -8.117 7.013 1.00 0.00 C ATOM 786 O GLY A 96 -0.610 -8.415 7.758 1.00 0.00 O ATOM 0 H GLY A 96 2.008 -8.706 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.040 -8.113 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.162 -9.693 5.659 1.00 0.00 H new ATOM 790 N ASN A 97 1.245 -7.216 7.366 1.00 0.00 N ATOM 791 CA ASN A 97 1.171 -6.535 8.661 1.00 0.00 C ATOM 792 C ASN A 97 0.058 -5.486 8.695 1.00 0.00 C ATOM 793 O ASN A 97 -0.177 -4.853 9.724 1.00 0.00 O ATOM 794 CB ASN A 97 2.530 -5.895 9.035 1.00 0.00 C ATOM 795 CG ASN A 97 2.931 -4.686 8.183 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.557 -4.827 7.127 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.619 -3.486 8.653 1.00 0.00 N ATOM 0 H ASN A 97 2.038 -6.945 6.784 1.00 0.00 H new ATOM 0 HA ASN A 97 0.930 -7.295 9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.495 -5.589 10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.308 -6.654 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.897 -2.649 8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.101 -3.400 9.528 1.00 0.00 H new ATOM 804 N GLY A 98 -0.637 -5.311 7.581 1.00 0.00 N ATOM 805 CA GLY A 98 -1.779 -4.416 7.566 1.00 0.00 C ATOM 806 C GLY A 98 -1.414 -3.015 7.130 1.00 0.00 C ATOM 807 O GLY A 98 -2.130 -2.062 7.426 1.00 0.00 O ATOM 0 H GLY A 98 -0.434 -5.768 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.540 -4.815 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.220 -4.379 8.562 1.00 0.00 H new ATOM 811 N TYR A 99 -0.305 -2.903 6.413 1.00 0.00 N ATOM 812 CA TYR A 99 0.199 -1.614 5.956 1.00 0.00 C ATOM 813 C TYR A 99 0.968 -1.807 4.664 1.00 0.00 C ATOM 814 O TYR A 99 1.648 -2.817 4.482 1.00 0.00 O ATOM 815 CB TYR A 99 1.075 -0.931 7.015 1.00 0.00 C ATOM 816 CG TYR A 99 0.293 -0.426 8.206 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.579 0.646 8.078 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.445 -1.002 9.461 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.278 1.128 9.165 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.253 -0.528 10.553 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.177 0.471 10.388 1.00 0.00 C ATOM 822 OH TYR A 99 -1.798 1.024 11.494 1.00 0.00 O ATOM 0 H TYR A 99 0.269 -3.698 6.132 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.652 -0.956 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.832 -1.636 7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.603 -0.095 6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.712 1.110 7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.121 -1.835 9.584 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.898 2.007 9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.072 -0.942 11.534 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.642 0.454 12.276 1.00 0.00 H new ATOM 832 N ILE A 100 0.855 -0.849 3.770 1.00 0.00 N ATOM 833 CA ILE A 100 1.395 -1.004 2.433 1.00 0.00 C ATOM 834 C ILE A 100 2.630 -0.130 2.234 1.00 0.00 C ATOM 835 O ILE A 100 2.538 1.082 2.061 1.00 0.00 O ATOM 836 CB ILE A 100 0.314 -0.671 1.379 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.885 -1.613 1.541 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.872 -0.774 -0.031 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.017 -1.335 0.577 1.00 0.00 C ATOM 0 H ILE A 100 0.395 0.045 3.942 1.00 0.00 H new ATOM 0 HA ILE A 100 1.699 -2.043 2.306 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.012 0.357 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.548 -2.641 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.262 -1.534 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.089 -0.534 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.699 -0.073 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.229 -1.789 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.827 -2.042 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.382 -0.319 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.658 -1.443 -0.447 1.00 0.00 H new ATOM 851 N SER A 101 3.789 -0.758 2.280 1.00 0.00 N ATOM 852 CA SER A 101 5.046 -0.070 2.050 1.00 0.00 C ATOM 853 C SER A 101 5.575 -0.375 0.646 1.00 0.00 C ATOM 854 O SER A 101 4.988 -1.172 -0.085 1.00 0.00 O ATOM 855 CB SER A 101 6.081 -0.484 3.098 1.00 0.00 C ATOM 856 OG SER A 101 5.565 -0.353 4.411 1.00 0.00 O ATOM 0 H SER A 101 3.887 -1.754 2.477 1.00 0.00 H new ATOM 0 HA SER A 101 4.869 1.002 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.383 -1.517 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.974 0.132 2.993 1.00 0.00 H new ATOM 0 HG SER A 101 6.247 -0.626 5.059 1.00 0.00 H new ATOM 862 N ALA A 102 6.683 0.254 0.283 1.00 0.00 N ATOM 863 CA ALA A 102 7.266 0.070 -1.047 1.00 0.00 C ATOM 864 C ALA A 102 7.651 -1.386 -1.293 1.00 0.00 C ATOM 865 O ALA A 102 7.249 -1.974 -2.296 1.00 0.00 O ATOM 866 CB ALA A 102 8.469 0.969 -1.235 1.00 0.00 C ATOM 0 H ALA A 102 7.199 0.895 0.885 1.00 0.00 H new ATOM 0 HA ALA A 102 6.505 0.345 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.886 0.815 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.166 2.010 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.223 0.730 -0.485 1.00 0.00 H new ATOM 872 N ALA A 103 8.456 -1.947 -0.391 1.00 0.00 N ATOM 873 CA ALA A 103 8.854 -3.353 -0.474 1.00 0.00 C ATOM 874 C ALA A 103 7.650 -4.278 -0.672 1.00 0.00 C ATOM 875 O ALA A 103 7.694 -5.203 -1.486 1.00 0.00 O ATOM 876 CB ALA A 103 9.637 -3.750 0.764 1.00 0.00 C ATOM 0 H ALA A 103 8.847 -1.448 0.408 1.00 0.00 H new ATOM 0 HA ALA A 103 9.493 -3.465 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.927 -4.798 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.530 -3.131 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.016 -3.607 1.649 1.00 0.00 H new ATOM 882 N GLU A 104 6.570 -4.005 0.055 1.00 0.00 N ATOM 883 CA GLU A 104 5.342 -4.791 -0.066 1.00 0.00 C ATOM 884 C GLU A 104 4.807 -4.658 -1.480 1.00 0.00 C ATOM 885 O GLU A 104 4.472 -5.647 -2.138 1.00 0.00 O ATOM 886 CB GLU A 104 4.265 -4.280 0.882 1.00 0.00 C ATOM 887 CG GLU A 104 4.789 -3.648 2.173 1.00 0.00 C ATOM 888 CD GLU A 104 5.435 -4.620 3.146 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.511 -5.158 2.833 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.872 -4.821 4.254 1.00 0.00 O ATOM 0 H GLU A 104 6.519 -3.246 0.734 1.00 0.00 H new ATOM 0 HA GLU A 104 5.579 -5.826 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.657 -3.544 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.607 -5.109 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.516 -2.879 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.962 -3.148 2.677 1.00 0.00 H new ATOM 897 N LEU A 105 4.778 -3.413 -1.950 1.00 0.00 N ATOM 898 CA LEU A 105 4.225 -3.088 -3.251 1.00 0.00 C ATOM 899 C LEU A 105 5.002 -3.799 -4.338 1.00 0.00 C ATOM 900 O LEU A 105 4.428 -4.508 -5.143 1.00 0.00 O ATOM 901 CB LEU A 105 4.277 -1.577 -3.495 1.00 0.00 C ATOM 902 CG LEU A 105 3.212 -0.757 -2.775 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.539 0.730 -2.853 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.844 -1.042 -3.383 1.00 0.00 C ATOM 0 H LEU A 105 5.137 -2.608 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 105 3.186 -3.416 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.258 -1.212 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.187 -1.397 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 105 3.195 -1.043 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.768 1.300 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.505 0.915 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.578 1.040 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.086 -0.454 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.852 -0.774 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.614 -2.102 -3.280 1.00 0.00 H new ATOM 916 N ARG A 106 6.319 -3.658 -4.316 1.00 0.00 N ATOM 917 CA ARG A 106 7.150 -4.232 -5.363 1.00 0.00 C ATOM 918 C ARG A 106 7.158 -5.754 -5.279 1.00 0.00 C ATOM 919 O ARG A 106 7.378 -6.427 -6.271 1.00 0.00 O ATOM 920 CB ARG A 106 8.575 -3.675 -5.316 1.00 0.00 C ATOM 921 CG ARG A 106 8.638 -2.163 -5.444 1.00 0.00 C ATOM 922 CD ARG A 106 9.971 -1.702 -6.009 1.00 0.00 C ATOM 923 NE ARG A 106 9.956 -1.634 -7.467 1.00 0.00 N ATOM 924 CZ ARG A 106 10.033 -0.504 -8.171 1.00 0.00 C ATOM 925 NH1 ARG A 106 10.090 0.674 -7.552 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.053 -0.559 -9.496 1.00 0.00 N ATOM 0 H ARG A 106 6.832 -3.156 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 106 6.716 -3.947 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.042 -3.972 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.159 -4.125 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.830 -1.818 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.480 -1.708 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.216 -0.720 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.757 -2.385 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 106 9.882 -2.511 -7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.075 0.716 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.149 1.534 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.010 -1.461 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.112 0.301 -10.041 1.00 0.00 H new ATOM 940 N HIS A 107 6.852 -6.292 -4.109 1.00 0.00 N ATOM 941 CA HIS A 107 6.819 -7.739 -3.922 1.00 0.00 C ATOM 942 C HIS A 107 5.575 -8.320 -4.593 1.00 0.00 C ATOM 943 O HIS A 107 5.611 -9.391 -5.197 1.00 0.00 O ATOM 944 CB HIS A 107 6.821 -8.080 -2.428 1.00 0.00 C ATOM 945 CG HIS A 107 6.736 -9.549 -2.130 1.00 0.00 C ATOM 946 ND1 HIS A 107 5.540 -10.225 -2.022 1.00 0.00 N ATOM 947 CD2 HIS A 107 7.704 -10.466 -1.907 1.00 0.00 C ATOM 948 CE1 HIS A 107 5.778 -11.494 -1.754 1.00 0.00 C ATOM 949 NE2 HIS A 107 7.083 -11.670 -1.677 1.00 0.00 N ATOM 0 H HIS A 107 6.623 -5.752 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 107 7.707 -8.176 -4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.730 -7.682 -1.977 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.981 -7.575 -1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.769 -10.286 -1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.030 -12.261 -1.620 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.553 -12.553 -1.479 1.00 0.00 H new ATOM 958 N VAL A 108 4.478 -7.592 -4.478 1.00 0.00 N ATOM 959 CA VAL A 108 3.208 -8.050 -5.026 1.00 0.00 C ATOM 960 C VAL A 108 3.068 -7.616 -6.488 1.00 0.00 C ATOM 961 O VAL A 108 2.467 -8.310 -7.310 1.00 0.00 O ATOM 962 CB VAL A 108 2.001 -7.547 -4.197 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.848 -6.037 -4.290 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.718 -8.244 -4.626 1.00 0.00 C ATOM 0 H VAL A 108 4.438 -6.685 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 108 3.207 -9.139 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 108 2.196 -7.797 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.991 -5.721 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.750 -5.556 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.694 -5.750 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.115 -7.873 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.528 -8.040 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.821 -9.319 -4.477 1.00 0.00 H new ATOM 974 N MET A 109 3.645 -6.460 -6.789 1.00 0.00 N ATOM 975 CA MET A 109 3.377 -5.762 -8.035 1.00 0.00 C ATOM 976 C MET A 109 4.185 -6.325 -9.216 1.00 0.00 C ATOM 977 O MET A 109 3.616 -7.027 -10.055 1.00 0.00 O ATOM 978 CB MET A 109 3.629 -4.260 -7.813 1.00 0.00 C ATOM 979 CG MET A 109 2.766 -3.341 -8.667 1.00 0.00 C ATOM 980 SD MET A 109 3.407 -3.113 -10.334 1.00 0.00 S ATOM 981 CE MET A 109 4.880 -2.147 -9.997 1.00 0.00 C ATOM 0 H MET A 109 4.308 -5.983 -6.178 1.00 0.00 H new ATOM 0 HA MET A 109 2.335 -5.916 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.456 -4.027 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.678 -4.046 -8.018 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.758 -3.751 -8.725 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.688 -2.370 -8.179 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.323 -1.818 -10.937 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.615 -1.277 -9.397 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.599 -2.758 -9.452 1.00 0.00 H new ATOM 991 N THR A 110 5.487 -6.048 -9.309 1.00 0.00 N ATOM 992 CA THR A 110 6.288 -6.588 -10.419 1.00 0.00 C ATOM 993 C THR A 110 7.598 -7.223 -9.948 1.00 0.00 C ATOM 994 O THR A 110 8.127 -8.133 -10.588 1.00 0.00 O ATOM 995 CB THR A 110 6.627 -5.489 -11.445 1.00 0.00 C ATOM 996 OG1 THR A 110 7.040 -4.295 -10.761 1.00 0.00 O ATOM 997 CG2 THR A 110 5.439 -5.189 -12.348 1.00 0.00 C ATOM 0 H THR A 110 6.003 -5.467 -8.648 1.00 0.00 H new ATOM 0 HA THR A 110 5.671 -7.360 -10.879 1.00 0.00 H new ATOM 0 HB THR A 110 7.442 -5.849 -12.072 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.843 -4.483 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.711 -4.410 -13.060 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.156 -6.092 -12.889 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.598 -4.850 -11.743 1.00 0.00 H new ATOM 1005 N ASN A 111 8.112 -6.727 -8.837 1.00 0.00 N ATOM 1006 CA ASN A 111 9.445 -7.080 -8.350 1.00 0.00 C ATOM 1007 C ASN A 111 9.429 -8.360 -7.523 1.00 0.00 C ATOM 1008 O ASN A 111 8.459 -9.121 -7.575 1.00 0.00 O ATOM 1009 CB ASN A 111 10.048 -5.922 -7.559 1.00 0.00 C ATOM 1010 CG ASN A 111 10.386 -4.754 -8.458 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.532 -3.922 -8.761 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.635 -4.672 -8.878 1.00 0.00 N ATOM 0 H ASN A 111 7.618 -6.064 -8.240 1.00 0.00 H new ATOM 0 HA ASN A 111 10.074 -7.271 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.345 -5.600 -6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.948 -6.260 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.922 -3.898 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.313 -5.383 -8.604 1.00 0.00 H new