USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 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 176:sc= -0.406 (180deg=-0.289) USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 51 MET CE :methyl 160:sc= 0 (180deg=-0.419) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 60 ASN : amide:sc= 0.0242 K(o=0.024,f=-4.6!) USER MOD Single : A 62 THR OG1 : rot 150:sc= -0.505 USER MOD Single : A 70 THR OG1 : rot 84:sc= 1.31 USER MOD Single : A 71 MET CE :methyl -164:sc= -0.0542 (180deg=-0.406) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.72 F(o=-6.3!,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 107 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.68) USER MOD Single : A 111 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.237 0.173 -2.289 1.00 0.00 N ATOM 29 CA LEU A 48 12.843 0.205 -1.864 1.00 0.00 C ATOM 30 C LEU A 48 12.532 1.468 -1.080 1.00 0.00 C ATOM 31 O LEU A 48 11.425 1.998 -1.164 1.00 0.00 O ATOM 32 CB LEU A 48 12.486 -1.032 -1.024 1.00 0.00 C ATOM 33 CG LEU A 48 12.397 -2.350 -1.799 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.591 -2.158 -3.071 1.00 0.00 C ATOM 35 CD2 LEU A 48 13.779 -2.902 -2.115 1.00 0.00 C ATOM 0 HA LEU A 48 12.234 0.199 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.232 -1.143 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.529 -0.853 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 48 11.888 -3.079 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.535 -3.102 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.584 -1.825 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.074 -1.408 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.680 -3.838 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.329 -2.181 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.320 -3.083 -1.186 1.00 0.00 H new ATOM 47 N GLN A 49 13.517 1.955 -0.334 1.00 0.00 N ATOM 48 CA GLN A 49 13.329 3.132 0.503 1.00 0.00 C ATOM 49 C GLN A 49 12.986 4.357 -0.338 1.00 0.00 C ATOM 50 O GLN A 49 12.235 5.223 0.102 1.00 0.00 O ATOM 51 CB GLN A 49 14.576 3.400 1.345 1.00 0.00 C ATOM 52 CG GLN A 49 14.429 4.591 2.283 1.00 0.00 C ATOM 53 CD GLN A 49 15.609 4.753 3.216 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.780 4.336 2.768 1.00 0.00 O flip ATOM 55 NE2 GLN A 49 15.469 5.249 4.334 1.00 0.00 N flip ATOM 0 H GLN A 49 14.453 1.552 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 49 12.492 2.934 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.807 2.511 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.423 3.572 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.311 5.500 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.520 4.473 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.548 5.559 4.643 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.274 5.350 4.952 1.00 0.00 H new ATOM 64 N ASP A 50 13.523 4.415 -1.551 1.00 0.00 N ATOM 65 CA ASP A 50 13.255 5.537 -2.448 1.00 0.00 C ATOM 66 C ASP A 50 11.767 5.619 -2.773 1.00 0.00 C ATOM 67 O ASP A 50 11.142 6.673 -2.629 1.00 0.00 O ATOM 68 CB ASP A 50 14.069 5.397 -3.737 1.00 0.00 C ATOM 69 CG ASP A 50 13.833 6.547 -4.699 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.219 7.690 -4.375 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.276 6.311 -5.791 1.00 0.00 O ATOM 0 H ASP A 50 14.144 3.703 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 50 13.552 6.457 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.129 5.346 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.810 4.458 -4.227 1.00 0.00 H new ATOM 76 N MET A 51 11.197 4.490 -3.176 1.00 0.00 N ATOM 77 CA MET A 51 9.778 4.423 -3.497 1.00 0.00 C ATOM 78 C MET A 51 8.940 4.625 -2.237 1.00 0.00 C ATOM 79 O MET A 51 7.859 5.210 -2.285 1.00 0.00 O ATOM 80 CB MET A 51 9.445 3.082 -4.156 1.00 0.00 C ATOM 81 CG MET A 51 8.003 2.963 -4.628 1.00 0.00 C ATOM 82 SD MET A 51 7.575 4.171 -5.896 1.00 0.00 S ATOM 83 CE MET A 51 5.890 3.687 -6.263 1.00 0.00 C ATOM 0 H MET A 51 11.697 3.608 -3.288 1.00 0.00 H new ATOM 0 HA MET A 51 9.540 5.221 -4.201 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.108 2.933 -5.008 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.652 2.280 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.836 1.959 -5.019 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.336 3.088 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.370 4.516 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.896 2.826 -6.932 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.377 3.424 -5.338 1.00 0.00 H new ATOM 93 N ILE A 52 9.450 4.145 -1.101 1.00 0.00 N ATOM 94 CA ILE A 52 8.784 4.346 0.183 1.00 0.00 C ATOM 95 C ILE A 52 8.701 5.836 0.487 1.00 0.00 C ATOM 96 O ILE A 52 7.657 6.355 0.879 1.00 0.00 O ATOM 97 CB ILE A 52 9.546 3.640 1.338 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.455 2.120 1.198 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.015 4.078 2.698 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.241 1.357 2.244 1.00 0.00 C ATOM 0 H ILE A 52 10.320 3.616 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 52 7.786 3.914 0.112 1.00 0.00 H new ATOM 0 HB ILE A 52 10.593 3.934 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.408 1.822 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.813 1.834 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.568 3.567 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.139 5.155 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.957 3.825 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.126 0.286 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.295 1.624 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.868 1.611 3.236 1.00 0.00 H new ATOM 112 N ASN A 53 9.813 6.512 0.248 1.00 0.00 N ATOM 113 CA ASN A 53 9.986 7.911 0.609 1.00 0.00 C ATOM 114 C ASN A 53 9.082 8.832 -0.208 1.00 0.00 C ATOM 115 O ASN A 53 8.554 9.814 0.316 1.00 0.00 O ATOM 116 CB ASN A 53 11.445 8.304 0.402 1.00 0.00 C ATOM 117 CG ASN A 53 11.772 9.693 0.905 1.00 0.00 C ATOM 118 OD1 ASN A 53 11.276 10.136 1.943 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.600 10.390 0.154 1.00 0.00 N ATOM 0 H ASN A 53 10.629 6.102 -0.206 1.00 0.00 H new ATOM 0 HA ASN A 53 9.706 8.026 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.083 7.582 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.682 8.246 -0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.856 11.340 0.423 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.985 9.980 -0.697 1.00 0.00 H new ATOM 126 N GLU A 54 8.906 8.521 -1.490 1.00 0.00 N ATOM 127 CA GLU A 54 8.073 9.348 -2.361 1.00 0.00 C ATOM 128 C GLU A 54 6.601 9.205 -2.004 1.00 0.00 C ATOM 129 O GLU A 54 5.833 10.169 -2.060 1.00 0.00 O ATOM 130 CB GLU A 54 8.237 8.952 -3.829 1.00 0.00 C ATOM 131 CG GLU A 54 9.601 9.243 -4.427 1.00 0.00 C ATOM 132 CD GLU A 54 9.580 9.123 -5.937 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.263 10.121 -6.619 1.00 0.00 O ATOM 134 OE2 GLU A 54 9.903 8.029 -6.451 1.00 0.00 O ATOM 0 H GLU A 54 9.324 7.710 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 54 8.399 10.378 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.035 7.885 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.481 9.474 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.917 10.247 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.335 8.551 -4.016 1.00 0.00 H new ATOM 141 N VAL A 55 6.223 7.995 -1.633 1.00 0.00 N ATOM 142 CA VAL A 55 4.814 7.653 -1.497 1.00 0.00 C ATOM 143 C VAL A 55 4.316 7.870 -0.070 1.00 0.00 C ATOM 144 O VAL A 55 3.142 8.183 0.142 1.00 0.00 O ATOM 145 CB VAL A 55 4.545 6.201 -1.946 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.062 5.888 -1.896 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.081 5.970 -3.352 1.00 0.00 C ATOM 0 H VAL A 55 6.867 7.233 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 55 4.258 8.324 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 55 5.063 5.533 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.896 4.859 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.698 6.013 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.525 6.566 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.883 4.941 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.589 6.652 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.156 6.151 -3.366 1.00 0.00 H new ATOM 157 N ASP A 56 5.203 7.703 0.904 1.00 0.00 N ATOM 158 CA ASP A 56 4.880 8.040 2.285 1.00 0.00 C ATOM 159 C ASP A 56 4.473 9.500 2.371 1.00 0.00 C ATOM 160 O ASP A 56 5.235 10.395 2.008 1.00 0.00 O ATOM 161 CB ASP A 56 6.057 7.759 3.209 1.00 0.00 C ATOM 162 CG ASP A 56 5.630 7.624 4.656 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.441 7.808 4.936 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.488 7.343 5.533 1.00 0.00 O ATOM 0 H ASP A 56 6.145 7.339 0.765 1.00 0.00 H new ATOM 0 HA ASP A 56 4.048 7.415 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.555 6.843 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.786 8.564 3.121 1.00 0.00 H new ATOM 169 N ALA A 57 3.274 9.730 2.864 1.00 0.00 N ATOM 170 CA ALA A 57 2.672 11.055 2.806 1.00 0.00 C ATOM 171 C ALA A 57 2.934 11.809 4.090 1.00 0.00 C ATOM 172 O ALA A 57 3.010 13.038 4.111 1.00 0.00 O ATOM 173 CB ALA A 57 1.178 10.949 2.543 1.00 0.00 C ATOM 0 H ALA A 57 2.693 9.020 3.310 1.00 0.00 H new ATOM 0 HA ALA A 57 3.127 11.607 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.744 11.948 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.011 10.442 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.707 10.381 3.345 1.00 0.00 H new ATOM 179 N ASP A 58 3.080 11.055 5.158 1.00 0.00 N ATOM 180 CA ASP A 58 3.313 11.617 6.476 1.00 0.00 C ATOM 181 C ASP A 58 4.707 11.287 6.979 1.00 0.00 C ATOM 182 O ASP A 58 5.119 11.758 8.038 1.00 0.00 O ATOM 183 CB ASP A 58 2.262 11.112 7.470 1.00 0.00 C ATOM 184 CG ASP A 58 2.020 9.616 7.375 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.878 8.888 6.816 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.959 9.157 7.840 1.00 0.00 O ATOM 0 H ASP A 58 3.041 10.036 5.140 1.00 0.00 H new ATOM 0 HA ASP A 58 3.230 12.701 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.581 11.358 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.323 11.637 7.295 1.00 0.00 H new ATOM 191 N GLY A 59 5.444 10.490 6.205 1.00 0.00 N ATOM 192 CA GLY A 59 6.793 10.128 6.599 1.00 0.00 C ATOM 193 C GLY A 59 6.842 9.261 7.844 1.00 0.00 C ATOM 194 O GLY A 59 7.827 9.279 8.577 1.00 0.00 O ATOM 0 H GLY A 59 5.132 10.092 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.275 9.599 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.369 11.037 6.774 1.00 0.00 H new ATOM 198 N ASN A 60 5.785 8.495 8.079 1.00 0.00 N ATOM 199 CA ASN A 60 5.726 7.602 9.234 1.00 0.00 C ATOM 200 C ASN A 60 6.390 6.262 8.924 1.00 0.00 C ATOM 201 O ASN A 60 6.364 5.343 9.740 1.00 0.00 O ATOM 202 CB ASN A 60 4.274 7.394 9.689 1.00 0.00 C ATOM 203 CG ASN A 60 3.414 6.639 8.688 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.713 6.585 7.492 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.310 6.088 9.165 1.00 0.00 N ATOM 0 H ASN A 60 4.955 8.472 7.486 1.00 0.00 H new ATOM 0 HA ASN A 60 6.276 8.072 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.275 6.851 10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.821 8.367 9.880 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.672 5.598 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.096 6.153 10.160 1.00 0.00 H new ATOM 212 N GLY A 61 6.969 6.154 7.736 1.00 0.00 N ATOM 213 CA GLY A 61 7.732 4.977 7.375 1.00 0.00 C ATOM 214 C GLY A 61 6.950 4.011 6.508 1.00 0.00 C ATOM 215 O GLY A 61 7.495 3.009 6.046 1.00 0.00 O ATOM 0 H GLY A 61 6.922 6.869 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.635 5.283 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.052 4.465 8.283 1.00 0.00 H new ATOM 219 N THR A 62 5.678 4.309 6.286 1.00 0.00 N ATOM 220 CA THR A 62 4.805 3.398 5.560 1.00 0.00 C ATOM 221 C THR A 62 3.587 4.136 5.019 1.00 0.00 C ATOM 222 O THR A 62 3.406 5.337 5.255 1.00 0.00 O ATOM 223 CB THR A 62 4.340 2.228 6.466 1.00 0.00 C ATOM 224 OG1 THR A 62 3.611 1.254 5.702 1.00 0.00 O ATOM 225 CG2 THR A 62 3.465 2.729 7.605 1.00 0.00 C ATOM 0 H THR A 62 5.229 5.171 6.597 1.00 0.00 H new ATOM 0 HA THR A 62 5.377 2.990 4.727 1.00 0.00 H new ATOM 0 HB THR A 62 5.233 1.765 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.737 0.367 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.154 1.886 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.029 3.436 8.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.584 3.224 7.196 1.00 0.00 H new ATOM 233 N ILE A 63 2.774 3.416 4.275 1.00 0.00 N ATOM 234 CA ILE A 63 1.460 3.883 3.908 1.00 0.00 C ATOM 235 C ILE A 63 0.452 3.355 4.918 1.00 0.00 C ATOM 236 O ILE A 63 0.539 2.199 5.338 1.00 0.00 O ATOM 237 CB ILE A 63 1.075 3.418 2.482 1.00 0.00 C ATOM 238 CG1 ILE A 63 1.383 4.505 1.453 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.383 2.996 2.400 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.945 4.139 0.051 1.00 0.00 C ATOM 0 H ILE A 63 3.008 2.493 3.910 1.00 0.00 H new ATOM 0 HA ILE A 63 1.460 4.973 3.911 1.00 0.00 H new ATOM 0 HB ILE A 63 1.682 2.543 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.889 5.430 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.455 4.702 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.613 2.677 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.562 2.170 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.021 3.838 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.192 4.952 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.459 3.231 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.132 3.970 0.039 1.00 0.00 H new ATOM 252 N ASP A 64 -0.491 4.196 5.299 1.00 0.00 N ATOM 253 CA ASP A 64 -1.556 3.806 6.204 1.00 0.00 C ATOM 254 C ASP A 64 -2.841 3.729 5.408 1.00 0.00 C ATOM 255 O ASP A 64 -2.843 4.082 4.228 1.00 0.00 O ATOM 256 CB ASP A 64 -1.708 4.825 7.334 1.00 0.00 C ATOM 257 CG ASP A 64 -0.772 4.569 8.494 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.451 4.466 8.255 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.246 4.456 9.639 1.00 0.00 O ATOM 0 H ASP A 64 -0.541 5.167 4.991 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.322 2.840 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.524 5.825 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.737 4.808 7.694 1.00 0.00 H new ATOM 264 N PHE A 65 -3.927 3.285 6.019 1.00 0.00 N ATOM 265 CA PHE A 65 -5.214 3.273 5.332 1.00 0.00 C ATOM 266 C PHE A 65 -5.551 4.662 4.769 1.00 0.00 C ATOM 267 O PHE A 65 -5.833 4.783 3.576 1.00 0.00 O ATOM 268 CB PHE A 65 -6.326 2.757 6.252 1.00 0.00 C ATOM 269 CG PHE A 65 -6.291 1.267 6.443 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.491 0.706 7.424 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.065 0.430 5.656 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.461 -0.661 7.617 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.041 -0.938 5.846 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.214 -1.491 6.765 1.00 0.00 C ATOM 0 H PHE A 65 -3.948 2.932 6.976 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.139 2.585 4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.240 3.244 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.293 3.041 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.883 1.346 8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.694 0.851 4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.867 -1.088 8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.687 -1.572 5.257 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.132 -2.565 6.844 1.00 0.00 H new ATOM 284 N PRO A 66 -5.506 5.735 5.598 1.00 0.00 N ATOM 285 CA PRO A 66 -5.679 7.108 5.107 1.00 0.00 C ATOM 286 C PRO A 66 -4.736 7.442 3.948 1.00 0.00 C ATOM 287 O PRO A 66 -5.180 7.922 2.904 1.00 0.00 O ATOM 288 CB PRO A 66 -5.351 7.970 6.327 1.00 0.00 C ATOM 289 CG PRO A 66 -5.662 7.103 7.493 1.00 0.00 C ATOM 290 CD PRO A 66 -5.326 5.704 7.066 1.00 0.00 C ATOM 0 HA PRO A 66 -6.681 7.270 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.304 8.275 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.948 8.882 6.340 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.077 7.396 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.713 7.185 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.305 5.436 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.984 4.973 7.535 1.00 0.00 H new ATOM 298 N GLU A 67 -3.437 7.170 4.126 1.00 0.00 N ATOM 299 CA GLU A 67 -2.443 7.487 3.099 1.00 0.00 C ATOM 300 C GLU A 67 -2.749 6.782 1.786 1.00 0.00 C ATOM 301 O GLU A 67 -2.796 7.418 0.735 1.00 0.00 O ATOM 302 CB GLU A 67 -1.036 7.092 3.544 1.00 0.00 C ATOM 303 CG GLU A 67 -0.528 7.856 4.748 1.00 0.00 C ATOM 304 CD GLU A 67 0.915 7.529 5.065 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.829 8.105 4.457 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.179 6.693 5.935 1.00 0.00 O ATOM 0 H GLU A 67 -3.054 6.735 4.965 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.490 8.566 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.025 6.026 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.348 7.246 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.624 8.926 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.150 7.624 5.613 1.00 0.00 H new ATOM 313 N PHE A 68 -2.956 5.468 1.853 1.00 0.00 N ATOM 314 CA PHE A 68 -3.162 4.662 0.656 1.00 0.00 C ATOM 315 C PHE A 68 -4.350 5.174 -0.135 1.00 0.00 C ATOM 316 O PHE A 68 -4.249 5.389 -1.335 1.00 0.00 O ATOM 317 CB PHE A 68 -3.380 3.187 1.006 1.00 0.00 C ATOM 318 CG PHE A 68 -3.319 2.268 -0.187 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.096 1.843 -0.691 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.480 1.834 -0.810 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.033 1.001 -1.788 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.422 0.995 -1.908 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.199 0.580 -2.399 1.00 0.00 C ATOM 0 H PHE A 68 -2.985 4.941 2.726 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.260 4.745 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.626 2.879 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.351 3.077 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.182 2.174 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.440 2.155 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.075 0.674 -2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.334 0.664 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.154 -0.072 -3.259 1.00 0.00 H new ATOM 333 N LEU A 69 -5.467 5.384 0.546 1.00 0.00 N ATOM 334 CA LEU A 69 -6.678 5.844 -0.106 1.00 0.00 C ATOM 335 C LEU A 69 -6.504 7.225 -0.708 1.00 0.00 C ATOM 336 O LEU A 69 -6.920 7.472 -1.840 1.00 0.00 O ATOM 337 CB LEU A 69 -7.835 5.850 0.882 1.00 0.00 C ATOM 338 CG LEU A 69 -8.604 4.542 0.958 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.202 4.226 -0.401 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.711 3.406 1.425 1.00 0.00 C ATOM 0 H LEU A 69 -5.557 5.242 1.552 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.897 5.152 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.449 6.088 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.526 6.648 0.609 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.406 4.651 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.754 3.288 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.879 5.028 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.404 4.135 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.289 2.483 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.884 3.282 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.318 3.636 2.415 1.00 0.00 H new ATOM 352 N THR A 70 -5.882 8.117 0.042 1.00 0.00 N ATOM 353 CA THR A 70 -5.713 9.482 -0.408 1.00 0.00 C ATOM 354 C THR A 70 -4.727 9.556 -1.576 1.00 0.00 C ATOM 355 O THR A 70 -4.984 10.229 -2.567 1.00 0.00 O ATOM 356 CB THR A 70 -5.245 10.393 0.746 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.091 10.193 1.888 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.293 11.856 0.338 1.00 0.00 C ATOM 0 H THR A 70 -5.488 7.919 0.962 1.00 0.00 H new ATOM 0 HA THR A 70 -6.684 9.838 -0.753 1.00 0.00 H new ATOM 0 HB THR A 70 -4.215 10.133 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.775 9.417 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.958 12.477 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.640 12.016 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.315 12.126 0.072 1.00 0.00 H new ATOM 366 N MET A 71 -3.600 8.862 -1.452 1.00 0.00 N ATOM 367 CA MET A 71 -2.617 8.780 -2.533 1.00 0.00 C ATOM 368 C MET A 71 -3.128 7.923 -3.688 1.00 0.00 C ATOM 369 O MET A 71 -2.611 8.000 -4.802 1.00 0.00 O ATOM 370 CB MET A 71 -1.280 8.235 -2.023 1.00 0.00 C ATOM 371 CG MET A 71 -0.513 9.224 -1.158 1.00 0.00 C ATOM 372 SD MET A 71 -0.125 10.756 -2.033 1.00 0.00 S ATOM 373 CE MET A 71 0.960 10.149 -3.323 1.00 0.00 C ATOM 0 H MET A 71 -3.342 8.346 -0.611 1.00 0.00 H new ATOM 0 HA MET A 71 -2.460 9.793 -2.903 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.462 7.327 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.662 7.954 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.100 9.456 -0.270 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.412 8.761 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.503 10.984 -3.764 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.669 9.439 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.368 9.654 -4.093 1.00 0.00 H new ATOM 383 N MET A 72 -4.129 7.098 -3.422 1.00 0.00 N ATOM 384 CA MET A 72 -4.801 6.372 -4.486 1.00 0.00 C ATOM 385 C MET A 72 -5.665 7.351 -5.265 1.00 0.00 C ATOM 386 O MET A 72 -5.361 7.685 -6.410 1.00 0.00 O ATOM 387 CB MET A 72 -5.670 5.247 -3.911 1.00 0.00 C ATOM 388 CG MET A 72 -6.218 4.297 -4.958 1.00 0.00 C ATOM 389 SD MET A 72 -7.417 3.134 -4.280 1.00 0.00 S ATOM 390 CE MET A 72 -7.764 2.136 -5.725 1.00 0.00 C ATOM 0 H MET A 72 -4.491 6.916 -2.486 1.00 0.00 H new ATOM 0 HA MET A 72 -4.058 5.919 -5.143 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.081 4.678 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.503 5.688 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.687 4.873 -5.756 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.394 3.743 -5.407 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.492 1.366 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.167 2.769 -6.516 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.844 1.664 -6.071 1.00 0.00 H new ATOM 400 N ALA A 73 -6.721 7.842 -4.606 1.00 0.00 N ATOM 401 CA ALA A 73 -7.597 8.875 -5.153 1.00 0.00 C ATOM 402 C ALA A 73 -6.831 10.094 -5.628 1.00 0.00 C ATOM 403 O ALA A 73 -7.381 10.927 -6.351 1.00 0.00 O ATOM 404 CB ALA A 73 -8.620 9.288 -4.109 1.00 0.00 C ATOM 0 H ALA A 73 -6.990 7.530 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.098 8.447 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.271 10.059 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.218 8.423 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.106 9.679 -3.231 1.00 0.00 H new ATOM 410 N ARG A 74 -5.586 10.216 -5.182 1.00 0.00 N ATOM 411 CA ARG A 74 -4.691 11.257 -5.655 1.00 0.00 C ATOM 412 C ARG A 74 -4.768 11.338 -7.177 1.00 0.00 C ATOM 413 O ARG A 74 -4.892 12.416 -7.759 1.00 0.00 O ATOM 414 CB ARG A 74 -3.253 10.957 -5.221 1.00 0.00 C ATOM 415 CG ARG A 74 -2.274 12.105 -5.413 1.00 0.00 C ATOM 416 CD ARG A 74 -2.505 13.221 -4.406 1.00 0.00 C ATOM 417 NE ARG A 74 -1.344 14.102 -4.308 1.00 0.00 N ATOM 418 CZ ARG A 74 -1.178 15.030 -3.368 1.00 0.00 C ATOM 419 NH1 ARG A 74 -2.135 15.274 -2.479 1.00 0.00 N ATOM 420 NH2 ARG A 74 -0.053 15.727 -3.331 1.00 0.00 N ATOM 0 H ARG A 74 -5.173 9.597 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.993 12.212 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.258 10.675 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.893 10.094 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.254 11.733 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.373 12.501 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.380 13.801 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.721 12.791 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.610 13.999 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.008 14.748 -2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.996 15.987 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.679 15.551 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.082 16.440 -2.614 1.00 0.00 H new ATOM 544 N GLU A 82 -14.188 -0.489 2.444 1.00 0.00 N ATOM 545 CA GLU A 82 -13.161 -0.909 3.376 1.00 0.00 C ATOM 546 C GLU A 82 -12.842 -2.384 3.250 1.00 0.00 C ATOM 547 O GLU A 82 -11.691 -2.768 3.416 1.00 0.00 O ATOM 548 CB GLU A 82 -13.557 -0.562 4.808 1.00 0.00 C ATOM 549 CG GLU A 82 -13.506 0.931 5.090 1.00 0.00 C ATOM 550 CD GLU A 82 -13.788 1.274 6.534 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.992 0.873 7.410 1.00 0.00 O ATOM 552 OE2 GLU A 82 -14.797 1.962 6.803 1.00 0.00 O ATOM 0 HA GLU A 82 -12.253 -0.362 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.565 -0.929 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.892 -1.080 5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.522 1.312 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.231 1.439 4.454 1.00 0.00 H new ATOM 559 N GLU A 83 -13.843 -3.205 2.951 1.00 0.00 N ATOM 560 CA GLU A 83 -13.616 -4.642 2.784 1.00 0.00 C ATOM 561 C GLU A 83 -12.557 -4.929 1.729 1.00 0.00 C ATOM 562 O GLU A 83 -11.597 -5.656 1.988 1.00 0.00 O ATOM 563 CB GLU A 83 -14.903 -5.360 2.397 1.00 0.00 C ATOM 564 CG GLU A 83 -16.000 -5.259 3.436 1.00 0.00 C ATOM 565 CD GLU A 83 -17.182 -6.140 3.103 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.971 -5.770 2.212 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.326 -7.207 3.733 1.00 0.00 O ATOM 0 H GLU A 83 -14.810 -2.908 2.820 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.265 -5.014 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.268 -4.948 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.681 -6.412 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.602 -5.540 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.331 -4.223 3.514 1.00 0.00 H new ATOM 574 N GLU A 84 -12.725 -4.351 0.547 1.00 0.00 N ATOM 575 CA GLU A 84 -11.801 -4.599 -0.549 1.00 0.00 C ATOM 576 C GLU A 84 -10.430 -4.048 -0.207 1.00 0.00 C ATOM 577 O GLU A 84 -9.409 -4.664 -0.508 1.00 0.00 O ATOM 578 CB GLU A 84 -12.289 -3.963 -1.856 1.00 0.00 C ATOM 579 CG GLU A 84 -13.695 -4.361 -2.256 1.00 0.00 C ATOM 580 CD GLU A 84 -14.746 -3.440 -1.694 1.00 0.00 C ATOM 581 OE1 GLU A 84 -15.187 -3.657 -0.546 1.00 0.00 O ATOM 582 OE2 GLU A 84 -15.138 -2.494 -2.410 1.00 0.00 O ATOM 0 H GLU A 84 -13.488 -3.711 0.324 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.745 -5.678 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.245 -2.878 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.604 -4.238 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.770 -4.369 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.890 -5.378 -1.916 1.00 0.00 H new ATOM 589 N ILE A 85 -10.415 -2.884 0.430 1.00 0.00 N ATOM 590 CA ILE A 85 -9.174 -2.251 0.825 1.00 0.00 C ATOM 591 C ILE A 85 -8.450 -3.098 1.871 1.00 0.00 C ATOM 592 O ILE A 85 -7.226 -3.219 1.845 1.00 0.00 O ATOM 593 CB ILE A 85 -9.419 -0.833 1.385 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.268 -0.007 0.411 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.098 -0.129 1.652 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.635 0.175 -0.954 1.00 0.00 C ATOM 0 H ILE A 85 -11.254 -2.362 0.683 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.551 -2.167 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.961 -0.928 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.237 -0.490 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.454 0.974 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.291 0.869 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.521 -0.701 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.534 -0.049 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.296 0.769 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.679 0.687 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.475 -0.800 -1.414 1.00 0.00 H new ATOM 608 N ARG A 86 -9.217 -3.694 2.781 1.00 0.00 N ATOM 609 CA ARG A 86 -8.665 -4.595 3.791 1.00 0.00 C ATOM 610 C ARG A 86 -7.992 -5.785 3.124 1.00 0.00 C ATOM 611 O ARG A 86 -6.880 -6.179 3.491 1.00 0.00 O ATOM 612 CB ARG A 86 -9.768 -5.098 4.727 1.00 0.00 C ATOM 613 CG ARG A 86 -10.296 -4.044 5.683 1.00 0.00 C ATOM 614 CD ARG A 86 -9.257 -3.661 6.717 1.00 0.00 C ATOM 615 NE ARG A 86 -8.880 -4.795 7.559 1.00 0.00 N ATOM 616 CZ ARG A 86 -8.090 -4.704 8.628 1.00 0.00 C ATOM 617 NH1 ARG A 86 -7.600 -3.526 8.999 1.00 0.00 N ATOM 618 NH2 ARG A 86 -7.816 -5.788 9.343 1.00 0.00 N ATOM 0 H ARG A 86 -10.228 -3.569 2.840 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.929 -4.040 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.595 -5.476 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.384 -5.938 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.595 -3.159 5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.188 -4.420 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.371 -3.272 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.647 -2.858 7.343 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.245 -5.715 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.828 -2.688 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.996 -3.460 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.210 -6.689 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.211 -5.720 10.162 1.00 0.00 H new ATOM 632 N GLU A 87 -8.663 -6.332 2.117 1.00 0.00 N ATOM 633 CA GLU A 87 -8.142 -7.474 1.394 1.00 0.00 C ATOM 634 C GLU A 87 -6.922 -7.045 0.593 1.00 0.00 C ATOM 635 O GLU A 87 -5.980 -7.811 0.413 1.00 0.00 O ATOM 636 CB GLU A 87 -9.215 -8.053 0.465 1.00 0.00 C ATOM 637 CG GLU A 87 -8.873 -9.426 -0.098 1.00 0.00 C ATOM 638 CD GLU A 87 -8.862 -10.508 0.964 1.00 0.00 C ATOM 639 OE1 GLU A 87 -7.794 -10.733 1.574 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.919 -11.129 1.206 1.00 0.00 O ATOM 0 H GLU A 87 -9.569 -5.999 1.787 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.853 -8.250 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.156 -8.120 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.375 -7.362 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.596 -9.688 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.895 -9.384 -0.578 1.00 0.00 H new ATOM 647 N ALA A 88 -6.929 -5.789 0.154 1.00 0.00 N ATOM 648 CA ALA A 88 -5.831 -5.237 -0.622 1.00 0.00 C ATOM 649 C ALA A 88 -4.589 -5.079 0.242 1.00 0.00 C ATOM 650 O ALA A 88 -3.515 -5.512 -0.140 1.00 0.00 O ATOM 651 CB ALA A 88 -6.226 -3.903 -1.241 1.00 0.00 C ATOM 0 H ALA A 88 -7.691 -5.133 0.326 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.601 -5.933 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.390 -3.508 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.084 -4.047 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.488 -3.199 -0.451 1.00 0.00 H new ATOM 657 N PHE A 89 -4.740 -4.471 1.416 1.00 0.00 N ATOM 658 CA PHE A 89 -3.625 -4.319 2.355 1.00 0.00 C ATOM 659 C PHE A 89 -3.021 -5.672 2.716 1.00 0.00 C ATOM 660 O PHE A 89 -1.831 -5.779 3.006 1.00 0.00 O ATOM 661 CB PHE A 89 -4.082 -3.593 3.628 1.00 0.00 C ATOM 662 CG PHE A 89 -4.027 -2.093 3.520 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.947 -1.397 2.755 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.049 -1.379 4.191 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.888 -0.021 2.657 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.985 -0.001 4.097 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.906 0.678 3.330 1.00 0.00 C ATOM 0 H PHE A 89 -5.622 -4.075 1.742 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.859 -3.720 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.103 -3.895 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.457 -3.912 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.720 -1.937 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.326 -1.906 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.610 0.509 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.214 0.542 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.860 1.754 3.255 1.00 0.00 H new ATOM 677 N ARG A 90 -3.854 -6.697 2.707 1.00 0.00 N ATOM 678 CA ARG A 90 -3.418 -8.059 2.986 1.00 0.00 C ATOM 679 C ARG A 90 -2.691 -8.687 1.785 1.00 0.00 C ATOM 680 O ARG A 90 -1.758 -9.467 1.962 1.00 0.00 O ATOM 681 CB ARG A 90 -4.649 -8.872 3.378 1.00 0.00 C ATOM 682 CG ARG A 90 -4.427 -10.356 3.609 1.00 0.00 C ATOM 683 CD ARG A 90 -5.754 -11.025 3.922 1.00 0.00 C ATOM 684 NE ARG A 90 -5.631 -12.459 4.173 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.605 -13.334 3.933 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.718 -12.947 3.317 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.449 -14.601 4.280 1.00 0.00 N ATOM 0 H ARG A 90 -4.851 -6.612 2.507 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.696 -8.052 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.067 -8.443 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.400 -8.756 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.979 -10.809 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.729 -10.506 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.198 -10.547 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.439 -10.866 3.089 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.751 -12.809 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.828 -11.976 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.461 -13.621 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.585 -14.904 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.193 -15.275 4.098 1.00 0.00 H new ATOM 701 N VAL A 91 -3.114 -8.334 0.573 1.00 0.00 N ATOM 702 CA VAL A 91 -2.519 -8.889 -0.649 1.00 0.00 C ATOM 703 C VAL A 91 -1.293 -8.085 -1.094 1.00 0.00 C ATOM 704 O VAL A 91 -0.293 -8.649 -1.544 1.00 0.00 O ATOM 705 CB VAL A 91 -3.550 -8.930 -1.803 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.902 -9.372 -3.107 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.705 -9.858 -1.458 1.00 0.00 C ATOM 0 H VAL A 91 -3.867 -7.666 0.407 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.204 -9.906 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.935 -7.919 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.652 -9.391 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.110 -8.673 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.480 -10.369 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.418 -9.873 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.324 -10.865 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.201 -9.502 -0.555 1.00 0.00 H new ATOM 717 N PHE A 92 -1.366 -6.771 -0.934 1.00 0.00 N ATOM 718 CA PHE A 92 -0.317 -5.862 -1.385 1.00 0.00 C ATOM 719 C PHE A 92 0.854 -5.836 -0.412 1.00 0.00 C ATOM 720 O PHE A 92 1.694 -4.946 -0.466 1.00 0.00 O ATOM 721 CB PHE A 92 -0.871 -4.445 -1.575 1.00 0.00 C ATOM 722 CG PHE A 92 -1.667 -4.262 -2.838 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.919 -4.840 -2.982 1.00 0.00 C ATOM 724 CD2 PHE A 92 -1.158 -3.514 -3.887 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.647 -4.672 -4.143 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.882 -3.343 -5.051 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.127 -3.924 -5.180 1.00 0.00 C ATOM 0 H PHE A 92 -2.155 -6.303 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 92 0.045 -6.233 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.501 -4.195 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.041 -3.739 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.330 -5.429 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.183 -3.059 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.622 -5.125 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.474 -2.755 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.693 -3.794 -6.090 1.00 0.00 H new ATOM 737 N ASP A 93 0.890 -6.812 0.478 1.00 0.00 N ATOM 738 CA ASP A 93 1.899 -6.875 1.524 1.00 0.00 C ATOM 739 C ASP A 93 2.496 -8.287 1.557 1.00 0.00 C ATOM 740 O ASP A 93 1.821 -9.255 1.208 1.00 0.00 O ATOM 741 CB ASP A 93 1.242 -6.524 2.872 1.00 0.00 C ATOM 742 CG ASP A 93 2.226 -6.353 4.017 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.222 -7.069 4.093 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.014 -5.514 4.898 1.00 0.00 O ATOM 0 H ASP A 93 0.222 -7.583 0.497 1.00 0.00 H new ATOM 0 HA ASP A 93 2.701 -6.163 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.672 -5.602 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.531 -7.308 3.132 1.00 0.00 H new ATOM 749 N LYS A 94 3.762 -8.399 1.956 1.00 0.00 N ATOM 750 CA LYS A 94 4.407 -9.701 2.098 1.00 0.00 C ATOM 751 C LYS A 94 3.838 -10.424 3.311 1.00 0.00 C ATOM 752 O LYS A 94 3.667 -11.642 3.318 1.00 0.00 O ATOM 753 CB LYS A 94 5.918 -9.552 2.317 1.00 0.00 C ATOM 754 CG LYS A 94 6.633 -8.642 1.336 1.00 0.00 C ATOM 755 CD LYS A 94 8.107 -8.542 1.688 1.00 0.00 C ATOM 756 CE LYS A 94 8.833 -7.499 0.856 1.00 0.00 C ATOM 757 NZ LYS A 94 10.266 -7.405 1.239 1.00 0.00 N ATOM 0 H LYS A 94 4.359 -7.605 2.186 1.00 0.00 H new ATOM 0 HA LYS A 94 4.223 -10.261 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.086 -9.174 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.374 -10.541 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.519 -9.027 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.180 -7.651 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.209 -8.295 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.579 -9.513 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.753 -7.753 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.355 -6.528 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.735 -6.685 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.341 -7.139 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.726 -8.326 1.090 1.00 0.00 H new ATOM 771 N ASP A 95 3.578 -9.637 4.340 1.00 0.00 N ATOM 772 CA ASP A 95 3.205 -10.138 5.656 1.00 0.00 C ATOM 773 C ASP A 95 1.790 -9.719 6.052 1.00 0.00 C ATOM 774 O ASP A 95 1.296 -10.092 7.119 1.00 0.00 O ATOM 775 CB ASP A 95 4.196 -9.589 6.686 1.00 0.00 C ATOM 776 CG ASP A 95 4.379 -8.089 6.532 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.430 -7.329 6.762 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.502 -7.639 6.250 1.00 0.00 O ATOM 0 H ASP A 95 3.620 -8.619 4.287 1.00 0.00 H new ATOM 0 HA ASP A 95 3.230 -11.227 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.840 -9.813 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.158 -10.088 6.570 1.00 0.00 H new ATOM 783 N GLY A 96 1.144 -8.962 5.165 1.00 0.00 N ATOM 784 CA GLY A 96 -0.162 -8.371 5.440 1.00 0.00 C ATOM 785 C GLY A 96 -0.288 -7.696 6.799 1.00 0.00 C ATOM 786 O GLY A 96 -1.290 -7.902 7.480 1.00 0.00 O ATOM 0 H GLY A 96 1.511 -8.743 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.383 -7.637 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.920 -9.151 5.366 1.00 0.00 H new ATOM 790 N ASN A 97 0.689 -6.875 7.205 1.00 0.00 N ATOM 791 CA ASN A 97 0.627 -6.181 8.500 1.00 0.00 C ATOM 792 C ASN A 97 -0.345 -4.998 8.489 1.00 0.00 C ATOM 793 O ASN A 97 -0.273 -4.127 9.354 1.00 0.00 O ATOM 794 CB ASN A 97 2.030 -5.694 8.935 1.00 0.00 C ATOM 795 CG ASN A 97 2.619 -4.591 8.052 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.408 -3.343 8.429 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.291 -4.861 7.052 1.00 0.00 N flip ATOM 0 H ASN A 97 1.528 -6.675 6.660 1.00 0.00 H new ATOM 0 HA ASN A 97 0.255 -6.911 9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.973 -5.330 9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.712 -6.544 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.438 -5.834 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.699 -4.111 6.494 1.00 0.00 H new ATOM 804 N GLY A 98 -1.251 -4.974 7.520 1.00 0.00 N ATOM 805 CA GLY A 98 -2.255 -3.927 7.468 1.00 0.00 C ATOM 806 C GLY A 98 -1.698 -2.599 7.002 1.00 0.00 C ATOM 807 O GLY A 98 -2.290 -1.552 7.249 1.00 0.00 O ATOM 0 H GLY A 98 -1.309 -5.661 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.058 -4.234 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.695 -3.803 8.457 1.00 0.00 H new ATOM 811 N TYR A 99 -0.566 -2.644 6.311 1.00 0.00 N ATOM 812 CA TYR A 99 0.068 -1.439 5.792 1.00 0.00 C ATOM 813 C TYR A 99 0.774 -1.757 4.491 1.00 0.00 C ATOM 814 O TYR A 99 1.429 -2.788 4.370 1.00 0.00 O ATOM 815 CB TYR A 99 1.064 -0.835 6.787 1.00 0.00 C ATOM 816 CG TYR A 99 0.427 -0.321 8.057 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.306 0.857 8.059 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.584 -0.995 9.258 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.874 1.342 9.216 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.014 -0.515 10.422 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.782 0.591 10.385 1.00 0.00 C ATOM 822 OH TYR A 99 -1.273 1.144 11.552 1.00 0.00 O ATOM 0 H TYR A 99 -0.066 -3.507 6.096 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.715 -0.700 5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.807 -1.589 7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.596 -0.016 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.433 1.404 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.160 -1.908 9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.385 2.294 9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.199 -1.016 11.361 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.146 0.513 12.291 1.00 0.00 H new ATOM 832 N ILE A 100 0.646 -0.870 3.528 1.00 0.00 N ATOM 833 CA ILE A 100 1.179 -1.113 2.202 1.00 0.00 C ATOM 834 C ILE A 100 2.387 -0.217 1.935 1.00 0.00 C ATOM 835 O ILE A 100 2.251 0.969 1.651 1.00 0.00 O ATOM 836 CB ILE A 100 0.084 -0.882 1.138 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.068 -1.869 1.353 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.646 -1.019 -0.270 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.227 -1.692 0.390 1.00 0.00 C ATOM 0 H ILE A 100 0.176 0.029 3.638 1.00 0.00 H new ATOM 0 HA ILE A 100 1.507 -2.151 2.144 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.292 0.135 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.684 -2.885 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.438 -1.762 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.149 -0.851 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.436 -0.283 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.054 -2.021 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.999 -2.429 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.641 -0.690 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.875 -1.830 -0.632 1.00 0.00 H new ATOM 851 N SER A 101 3.567 -0.798 2.033 1.00 0.00 N ATOM 852 CA SER A 101 4.800 -0.060 1.824 1.00 0.00 C ATOM 853 C SER A 101 5.466 -0.516 0.526 1.00 0.00 C ATOM 854 O SER A 101 5.102 -1.537 -0.045 1.00 0.00 O ATOM 855 CB SER A 101 5.729 -0.253 3.027 1.00 0.00 C ATOM 856 OG SER A 101 6.892 0.553 2.924 1.00 0.00 O ATOM 0 H SER A 101 3.699 -1.784 2.257 1.00 0.00 H new ATOM 0 HA SER A 101 4.580 1.004 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.194 -0.005 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.018 -1.302 3.100 1.00 0.00 H new ATOM 0 HG SER A 101 7.462 0.407 3.708 1.00 0.00 H new ATOM 862 N ALA A 102 6.442 0.262 0.067 1.00 0.00 N ATOM 863 CA ALA A 102 7.013 0.102 -1.274 1.00 0.00 C ATOM 864 C ALA A 102 7.751 -1.221 -1.465 1.00 0.00 C ATOM 865 O ALA A 102 8.048 -1.606 -2.596 1.00 0.00 O ATOM 866 CB ALA A 102 7.937 1.256 -1.594 1.00 0.00 C ATOM 0 H ALA A 102 6.860 1.019 0.608 1.00 0.00 H new ATOM 0 HA ALA A 102 6.170 0.095 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.353 1.123 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.378 2.191 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.747 1.287 -0.865 1.00 0.00 H new ATOM 872 N ALA A 103 8.042 -1.908 -0.372 1.00 0.00 N ATOM 873 CA ALA A 103 8.676 -3.216 -0.471 1.00 0.00 C ATOM 874 C ALA A 103 7.576 -4.258 -0.623 1.00 0.00 C ATOM 875 O ALA A 103 7.696 -5.241 -1.358 1.00 0.00 O ATOM 876 CB ALA A 103 9.560 -3.502 0.730 1.00 0.00 C ATOM 0 H ALA A 103 7.854 -1.591 0.579 1.00 0.00 H new ATOM 0 HA ALA A 103 9.334 -3.245 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.016 -4.486 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.342 -2.745 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.958 -3.480 1.638 1.00 0.00 H new ATOM 882 N GLU A 104 6.485 -3.997 0.098 1.00 0.00 N ATOM 883 CA GLU A 104 5.270 -4.792 0.013 1.00 0.00 C ATOM 884 C GLU A 104 4.729 -4.707 -1.399 1.00 0.00 C ATOM 885 O GLU A 104 4.238 -5.694 -1.955 1.00 0.00 O ATOM 886 CB GLU A 104 4.208 -4.245 0.957 1.00 0.00 C ATOM 887 CG GLU A 104 4.726 -3.851 2.342 1.00 0.00 C ATOM 888 CD GLU A 104 5.125 -5.033 3.210 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.714 -5.996 2.689 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.836 -5.005 4.438 1.00 0.00 O ATOM 0 H GLU A 104 6.424 -3.223 0.759 1.00 0.00 H new ATOM 0 HA GLU A 104 5.505 -5.821 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.745 -3.373 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.426 -4.995 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.587 -3.193 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.955 -3.278 2.858 1.00 0.00 H new ATOM 897 N LEU A 105 4.846 -3.507 -1.978 1.00 0.00 N ATOM 898 CA LEU A 105 4.443 -3.278 -3.352 1.00 0.00 C ATOM 899 C LEU A 105 5.147 -4.281 -4.237 1.00 0.00 C ATOM 900 O LEU A 105 4.536 -4.903 -5.079 1.00 0.00 O ATOM 901 CB LEU A 105 4.793 -1.858 -3.825 1.00 0.00 C ATOM 902 CG LEU A 105 3.668 -0.818 -3.741 1.00 0.00 C ATOM 903 CD1 LEU A 105 2.368 -1.379 -4.300 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.482 -0.320 -2.318 1.00 0.00 C ATOM 0 H LEU A 105 5.219 -2.683 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 105 3.361 -3.392 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.636 -1.499 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.130 -1.915 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 105 3.957 0.036 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.586 -0.623 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.511 -1.657 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.075 -2.259 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.678 0.415 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.228 -1.158 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.406 0.141 -1.970 1.00 0.00 H new ATOM 916 N ARG A 106 6.434 -4.474 -3.991 1.00 0.00 N ATOM 917 CA ARG A 106 7.228 -5.394 -4.788 1.00 0.00 C ATOM 918 C ARG A 106 6.648 -6.800 -4.715 1.00 0.00 C ATOM 919 O ARG A 106 6.440 -7.440 -5.740 1.00 0.00 O ATOM 920 CB ARG A 106 8.686 -5.390 -4.327 1.00 0.00 C ATOM 921 CG ARG A 106 9.343 -4.028 -4.443 1.00 0.00 C ATOM 922 CD ARG A 106 9.214 -3.478 -5.849 1.00 0.00 C ATOM 923 NE ARG A 106 9.766 -2.128 -5.987 1.00 0.00 N ATOM 924 CZ ARG A 106 9.787 -1.448 -7.139 1.00 0.00 C ATOM 925 NH1 ARG A 106 9.348 -2.017 -8.257 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.265 -0.206 -7.180 1.00 0.00 N ATOM 0 H ARG A 106 6.950 -4.006 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 106 7.198 -5.062 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.734 -5.723 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.250 -6.110 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.883 -3.338 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.397 -4.105 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.724 -4.146 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.162 -3.466 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 106 10.157 -1.681 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.994 -2.974 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.365 -1.497 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.618 0.233 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.278 0.307 -8.062 1.00 0.00 H new ATOM 940 N HIS A 107 6.374 -7.252 -3.497 1.00 0.00 N ATOM 941 CA HIS A 107 5.762 -8.565 -3.260 1.00 0.00 C ATOM 942 C HIS A 107 4.523 -8.798 -4.131 1.00 0.00 C ATOM 943 O HIS A 107 4.393 -9.836 -4.780 1.00 0.00 O ATOM 944 CB HIS A 107 5.366 -8.699 -1.788 1.00 0.00 C ATOM 945 CG HIS A 107 4.678 -9.991 -1.460 1.00 0.00 C ATOM 946 ND1 HIS A 107 3.306 -10.123 -1.387 1.00 0.00 N ATOM 947 CD2 HIS A 107 5.182 -11.214 -1.200 1.00 0.00 C ATOM 948 CE1 HIS A 107 3.004 -11.374 -1.100 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.125 -12.062 -0.981 1.00 0.00 N ATOM 0 H HIS A 107 6.567 -6.725 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 107 6.507 -9.315 -3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.260 -8.608 -1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.709 -7.871 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.229 -11.479 -1.170 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.006 -11.770 -0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.194 -13.056 -0.763 1.00 0.00 H new ATOM 958 N VAL A 108 3.613 -7.840 -4.126 1.00 0.00 N ATOM 959 CA VAL A 108 2.340 -8.005 -4.820 1.00 0.00 C ATOM 960 C VAL A 108 2.463 -7.647 -6.302 1.00 0.00 C ATOM 961 O VAL A 108 1.841 -8.271 -7.165 1.00 0.00 O ATOM 962 CB VAL A 108 1.223 -7.155 -4.165 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.570 -5.674 -4.191 1.00 0.00 C ATOM 964 CG2 VAL A 108 -0.115 -7.403 -4.845 1.00 0.00 C ATOM 0 H VAL A 108 3.727 -6.943 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 108 2.068 -9.057 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 108 1.141 -7.463 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.767 -5.104 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.498 -5.508 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.694 -5.347 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.884 -6.795 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.043 -7.135 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.379 -8.457 -4.756 1.00 0.00 H new ATOM 974 N MET A 109 3.293 -6.656 -6.583 1.00 0.00 N ATOM 975 CA MET A 109 3.318 -6.023 -7.887 1.00 0.00 C ATOM 976 C MET A 109 4.128 -6.832 -8.905 1.00 0.00 C ATOM 977 O MET A 109 3.544 -7.450 -9.795 1.00 0.00 O ATOM 978 CB MET A 109 3.845 -4.589 -7.742 1.00 0.00 C ATOM 979 CG MET A 109 3.186 -3.591 -8.685 1.00 0.00 C ATOM 980 SD MET A 109 3.793 -3.701 -10.379 1.00 0.00 S ATOM 981 CE MET A 109 5.423 -2.981 -10.192 1.00 0.00 C ATOM 0 H MET A 109 3.963 -6.271 -5.917 1.00 0.00 H new ATOM 0 HA MET A 109 2.301 -5.987 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.692 -4.258 -6.715 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.920 -4.588 -7.921 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.108 -3.755 -8.681 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.356 -2.581 -8.311 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.958 -3.040 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.328 -1.937 -9.894 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.977 -3.527 -9.428 1.00 0.00 H new ATOM 991 N THR A 110 5.458 -6.851 -8.799 1.00 0.00 N ATOM 992 CA THR A 110 6.267 -7.583 -9.777 1.00 0.00 C ATOM 993 C THR A 110 7.291 -8.536 -9.150 1.00 0.00 C ATOM 994 O THR A 110 7.685 -9.519 -9.773 1.00 0.00 O ATOM 995 CB THR A 110 7.018 -6.595 -10.682 1.00 0.00 C ATOM 996 OG1 THR A 110 7.489 -5.488 -9.895 1.00 0.00 O ATOM 997 CG2 THR A 110 6.125 -6.096 -11.811 1.00 0.00 C ATOM 0 H THR A 110 5.988 -6.381 -8.065 1.00 0.00 H new ATOM 0 HA THR A 110 5.562 -8.190 -10.345 1.00 0.00 H new ATOM 0 HB THR A 110 7.867 -7.111 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.970 -4.858 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.683 -5.398 -12.435 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.797 -6.941 -12.416 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.255 -5.591 -11.391 1.00 0.00 H new ATOM 1005 N ASN A 111 7.722 -8.254 -7.934 1.00 0.00 N ATOM 1006 CA ASN A 111 8.822 -9.004 -7.331 1.00 0.00 C ATOM 1007 C ASN A 111 8.303 -10.239 -6.585 1.00 0.00 C ATOM 1008 O ASN A 111 7.121 -10.565 -6.674 1.00 0.00 O ATOM 1009 CB ASN A 111 9.651 -8.097 -6.409 1.00 0.00 C ATOM 1010 CG ASN A 111 11.020 -8.674 -6.092 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.582 -9.435 -6.879 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.567 -8.321 -4.944 1.00 0.00 N ATOM 0 H ASN A 111 7.334 -7.518 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 111 9.475 -9.357 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.773 -7.122 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.105 -7.936 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.485 -8.681 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.072 -7.688 -4.316 1.00 0.00 H new