USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 40 SER OG : rot 180:sc= 0.0148 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 159:sc= 0.0137 (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.2!) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-1.9!) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00359) USER MOD Single : A 24 GLN : amide:sc=-0.00032 X(o=-0.00032,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 37 THR OG1 : rot 150:sc= -0.404 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -112:sc= -1.2 (180deg=-3.96!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.534 USER MOD Single : A 50 GLN : amide:sc= -0.71 K(o=-0.71,f=1.7) USER MOD Single : A 53 SER OG : rot 49:sc= 0.517 USER MOD Single : A 54 MET CE :methyl 180:sc= -0.0152 (180deg=-0.0152) USER MOD Single : A 56 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.0069) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.393 K(o=0.39,f=-6.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 74 GLN : amide:sc= 0.803 K(o=0.8,f=-0.041) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.39! C(o=-2.4!,f=-3.7!) USER MOD Single : A 88 GLN : amide:sc= 0.065 X(o=0.065,f=-0.003) USER MOD Single : A 89 GLN : amide:sc= 0.468 K(o=0.47,f=-3.3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -21.551 -3.516 2.816 1.00 0.00 N ATOM 2 CA ASN A 14 -20.152 -3.249 3.255 1.00 0.00 C ATOM 3 C ASN A 14 -19.411 -2.367 2.252 1.00 0.00 C ATOM 4 O ASN A 14 -19.906 -2.117 1.151 1.00 0.00 O ATOM 5 CB ASN A 14 -19.425 -4.588 3.427 1.00 0.00 C ATOM 6 CG ASN A 14 -19.498 -5.104 4.851 1.00 0.00 C ATOM 7 OD1 ASN A 14 -20.269 -6.014 5.154 1.00 0.00 O ATOM 8 ND2 ASN A 14 -18.696 -4.521 5.736 1.00 0.00 N ATOM 0 HA ASN A 14 -20.175 -2.712 4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.862 -5.325 2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.380 -4.471 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.704 -4.825 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.072 -3.770 5.442 1.00 0.00 H new ATOM 17 N ASP A 15 -18.225 -1.891 2.641 1.00 0.00 N ATOM 18 CA ASP A 15 -17.424 -1.030 1.773 1.00 0.00 C ATOM 19 C ASP A 15 -15.942 -1.076 2.155 1.00 0.00 C ATOM 20 O ASP A 15 -15.465 -0.242 2.928 1.00 0.00 O ATOM 21 CB ASP A 15 -17.944 0.411 1.837 1.00 0.00 C ATOM 22 CG ASP A 15 -17.780 1.144 0.519 1.00 0.00 C ATOM 23 OD1 ASP A 15 -18.299 0.651 -0.505 1.00 0.00 O ATOM 24 OD2 ASP A 15 -17.131 2.211 0.512 1.00 0.00 O ATOM 0 H ASP A 15 -17.801 -2.087 3.548 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.517 -1.400 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.998 0.402 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.412 0.952 2.619 1.00 0.00 H new ATOM 29 N HIS A 16 -15.220 -2.057 1.604 1.00 0.00 N ATOM 30 CA HIS A 16 -13.793 -2.216 1.880 1.00 0.00 C ATOM 31 C HIS A 16 -13.129 -3.088 0.812 1.00 0.00 C ATOM 32 O HIS A 16 -13.500 -4.250 0.633 1.00 0.00 O ATOM 33 CB HIS A 16 -13.581 -2.843 3.262 1.00 0.00 C ATOM 34 CG HIS A 16 -13.344 -1.849 4.360 1.00 0.00 C ATOM 35 ND1 HIS A 16 -13.611 -2.121 5.684 1.00 0.00 N ATOM 36 CD2 HIS A 16 -12.854 -0.585 4.331 1.00 0.00 C ATOM 37 CE1 HIS A 16 -13.296 -1.072 6.421 1.00 0.00 C ATOM 38 NE2 HIS A 16 -12.834 -0.126 5.626 1.00 0.00 N ATOM 0 H HIS A 16 -15.603 -2.752 0.964 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.334 -1.227 1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.455 -3.444 3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.730 -3.523 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.538 -0.040 3.453 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.399 -1.000 7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.514 0.796 5.924 1.00 0.00 H new ATOM 47 N ILE A 17 -12.147 -2.522 0.112 1.00 0.00 N ATOM 48 CA ILE A 17 -11.432 -3.248 -0.936 1.00 0.00 C ATOM 49 C ILE A 17 -10.351 -4.153 -0.339 1.00 0.00 C ATOM 50 O ILE A 17 -9.545 -3.717 0.486 1.00 0.00 O ATOM 51 CB ILE A 17 -10.798 -2.284 -1.970 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.600 -1.535 -1.375 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.838 -1.292 -2.473 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.984 -0.521 -2.317 1.00 0.00 C ATOM 0 H ILE A 17 -11.829 -1.563 0.252 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.166 -3.867 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.439 -2.882 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.917 -1.026 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.838 -2.259 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.379 -0.621 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.658 -1.833 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.223 -0.712 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.143 -0.032 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.635 -1.026 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.731 0.226 -2.587 1.00 0.00 H new ATOM 66 N ASN A 18 -10.348 -5.419 -0.757 1.00 0.00 N ATOM 67 CA ASN A 18 -9.373 -6.391 -0.261 1.00 0.00 C ATOM 68 C ASN A 18 -8.042 -6.259 -1.000 1.00 0.00 C ATOM 69 O ASN A 18 -7.969 -6.476 -2.213 1.00 0.00 O ATOM 70 CB ASN A 18 -9.914 -7.817 -0.411 1.00 0.00 C ATOM 71 CG ASN A 18 -10.705 -8.273 0.803 1.00 0.00 C ATOM 72 OD1 ASN A 18 -10.390 -7.913 1.939 1.00 0.00 O ATOM 73 ND2 ASN A 18 -11.740 -9.074 0.569 1.00 0.00 N ATOM 0 H ASN A 18 -11.009 -5.795 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.203 -6.185 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.550 -7.869 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.082 -8.502 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.307 -9.414 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.967 -9.348 -0.387 1.00 0.00 H new ATOM 80 N LEU A 19 -6.993 -5.902 -0.259 1.00 0.00 N ATOM 81 CA LEU A 19 -5.662 -5.736 -0.836 1.00 0.00 C ATOM 82 C LEU A 19 -4.607 -6.471 -0.007 1.00 0.00 C ATOM 83 O LEU A 19 -4.608 -6.394 1.223 1.00 0.00 O ATOM 84 CB LEU A 19 -5.312 -4.247 -0.928 1.00 0.00 C ATOM 85 CG LEU A 19 -3.972 -3.932 -1.599 1.00 0.00 C ATOM 86 CD1 LEU A 19 -4.083 -2.679 -2.453 1.00 0.00 C ATOM 87 CD2 LEU A 19 -2.876 -3.773 -0.555 1.00 0.00 C ATOM 0 H LEU A 19 -7.041 -5.722 0.744 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.669 -6.167 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.104 -3.737 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.303 -3.830 0.079 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.709 -4.767 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.121 -2.472 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.837 -2.831 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.370 -1.835 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.931 -3.550 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.133 -2.957 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.778 -4.698 0.013 1.00 0.00 H new ATOM 99 N LYS A 20 -3.704 -7.173 -0.692 1.00 0.00 N ATOM 100 CA LYS A 20 -2.635 -7.913 -0.024 1.00 0.00 C ATOM 101 C LYS A 20 -1.308 -7.169 -0.164 1.00 0.00 C ATOM 102 O LYS A 20 -0.707 -7.154 -1.241 1.00 0.00 O ATOM 103 CB LYS A 20 -2.507 -9.323 -0.612 1.00 0.00 C ATOM 104 CG LYS A 20 -3.729 -10.201 -0.380 1.00 0.00 C ATOM 105 CD LYS A 20 -4.553 -10.361 -1.651 1.00 0.00 C ATOM 106 CE LYS A 20 -5.438 -11.598 -1.594 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.470 -11.501 -0.522 1.00 0.00 N ATOM 0 H LYS A 20 -3.692 -7.244 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.885 -7.996 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.327 -9.244 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.634 -9.810 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.411 -11.182 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.348 -9.764 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.173 -9.476 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.887 -10.429 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.929 -11.737 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.819 -12.478 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.071 -12.349 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.003 -11.429 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.057 -10.657 -0.680 1.00 0.00 H new ATOM 121 N VAL A 21 -0.857 -6.550 0.927 1.00 0.00 N ATOM 122 CA VAL A 21 0.398 -5.800 0.921 1.00 0.00 C ATOM 123 C VAL A 21 1.596 -6.729 1.111 1.00 0.00 C ATOM 124 O VAL A 21 1.665 -7.475 2.087 1.00 0.00 O ATOM 125 CB VAL A 21 0.428 -4.716 2.023 1.00 0.00 C ATOM 126 CG1 VAL A 21 1.665 -3.841 1.878 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.835 -3.867 1.985 1.00 0.00 C ATOM 0 H VAL A 21 -1.341 -6.553 1.825 1.00 0.00 H new ATOM 0 HA VAL A 21 0.462 -5.314 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 21 0.470 -5.217 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.669 -3.084 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.559 -4.458 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.654 -3.354 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.790 -3.112 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.915 -3.377 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.706 -4.503 2.143 1.00 0.00 H new ATOM 137 N ALA A 22 2.537 -6.670 0.171 1.00 0.00 N ATOM 138 CA ALA A 22 3.740 -7.493 0.223 1.00 0.00 C ATOM 139 C ALA A 22 4.952 -6.662 0.639 1.00 0.00 C ATOM 140 O ALA A 22 4.843 -5.451 0.841 1.00 0.00 O ATOM 141 CB ALA A 22 3.982 -8.154 -1.127 1.00 0.00 C ATOM 0 H ALA A 22 2.487 -6.055 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 22 3.593 -8.271 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.883 -8.766 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.129 -8.784 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.107 -7.386 -1.891 1.00 0.00 H new ATOM 147 N GLY A 23 6.104 -7.319 0.768 1.00 0.00 N ATOM 148 CA GLY A 23 7.318 -6.623 1.163 1.00 0.00 C ATOM 149 C GLY A 23 8.554 -7.153 0.461 1.00 0.00 C ATOM 150 O GLY A 23 8.628 -8.339 0.135 1.00 0.00 O ATOM 0 H GLY A 23 6.218 -8.320 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.209 -5.561 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.450 -6.716 2.241 1.00 0.00 H new ATOM 154 N GLN A 24 9.526 -6.268 0.234 1.00 0.00 N ATOM 155 CA GLN A 24 10.777 -6.637 -0.431 1.00 0.00 C ATOM 156 C GLN A 24 11.432 -7.844 0.241 1.00 0.00 C ATOM 157 O GLN A 24 11.994 -8.708 -0.434 1.00 0.00 O ATOM 158 CB GLN A 24 11.751 -5.456 -0.418 1.00 0.00 C ATOM 159 CG GLN A 24 12.830 -5.542 -1.487 1.00 0.00 C ATOM 160 CD GLN A 24 14.165 -4.988 -1.019 1.00 0.00 C ATOM 161 OE1 GLN A 24 15.206 -5.621 -1.195 1.00 0.00 O ATOM 162 NE2 GLN A 24 14.144 -3.801 -0.418 1.00 0.00 N ATOM 0 H GLN A 24 9.470 -5.286 0.502 1.00 0.00 H new ATOM 0 HA GLN A 24 10.537 -6.904 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.190 -4.532 -0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.226 -5.399 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.958 -6.583 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.504 -4.994 -2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.260 -3.309 -0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.012 -3.383 -0.084 1.00 0.00 H new ATOM 171 N ASP A 25 11.362 -7.896 1.572 1.00 0.00 N ATOM 172 CA ASP A 25 11.955 -8.999 2.325 1.00 0.00 C ATOM 173 C ASP A 25 10.903 -10.039 2.724 1.00 0.00 C ATOM 174 O ASP A 25 11.009 -10.665 3.781 1.00 0.00 O ATOM 175 CB ASP A 25 12.675 -8.462 3.571 1.00 0.00 C ATOM 176 CG ASP A 25 14.027 -9.117 3.793 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.784 -9.272 2.810 1.00 0.00 O ATOM 178 OD2 ASP A 25 14.330 -9.473 4.951 1.00 0.00 O ATOM 0 H ASP A 25 10.903 -7.190 2.147 1.00 0.00 H new ATOM 0 HA ASP A 25 12.680 -9.494 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.809 -7.385 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.048 -8.626 4.447 1.00 0.00 H new ATOM 183 N GLY A 26 9.891 -10.228 1.870 1.00 0.00 N ATOM 184 CA GLY A 26 8.845 -11.199 2.152 1.00 0.00 C ATOM 185 C GLY A 26 7.930 -10.766 3.286 1.00 0.00 C ATOM 186 O GLY A 26 8.131 -11.165 4.435 1.00 0.00 O ATOM 0 H GLY A 26 9.780 -9.725 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.251 -11.358 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.302 -12.156 2.405 1.00 0.00 H new ATOM 190 N SER A 27 6.926 -9.945 2.967 1.00 0.00 N ATOM 191 CA SER A 27 5.983 -9.458 3.975 1.00 0.00 C ATOM 192 C SER A 27 4.561 -9.369 3.416 1.00 0.00 C ATOM 193 O SER A 27 4.015 -8.276 3.255 1.00 0.00 O ATOM 194 CB SER A 27 6.427 -8.087 4.499 1.00 0.00 C ATOM 195 OG SER A 27 6.074 -7.921 5.862 1.00 0.00 O ATOM 0 H SER A 27 6.746 -9.605 2.022 1.00 0.00 H new ATOM 0 HA SER A 27 5.978 -10.173 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.506 -7.983 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.966 -7.300 3.903 1.00 0.00 H new ATOM 0 HG SER A 27 6.370 -7.039 6.172 1.00 0.00 H new ATOM 201 N VAL A 28 3.963 -10.525 3.131 1.00 0.00 N ATOM 202 CA VAL A 28 2.601 -10.575 2.599 1.00 0.00 C ATOM 203 C VAL A 28 1.569 -10.518 3.728 1.00 0.00 C ATOM 204 O VAL A 28 1.399 -11.486 4.473 1.00 0.00 O ATOM 205 CB VAL A 28 2.360 -11.851 1.761 1.00 0.00 C ATOM 206 CG1 VAL A 28 1.010 -11.784 1.061 1.00 0.00 C ATOM 207 CG2 VAL A 28 3.484 -12.056 0.753 1.00 0.00 C ATOM 0 H VAL A 28 4.399 -11.438 3.259 1.00 0.00 H new ATOM 0 HA VAL A 28 2.485 -9.704 1.954 1.00 0.00 H new ATOM 0 HB VAL A 28 2.352 -12.707 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.858 -12.691 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.218 -11.695 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.985 -10.918 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.293 -12.960 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.532 -11.199 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.432 -12.156 1.281 1.00 0.00 H new ATOM 217 N VAL A 29 0.887 -9.378 3.847 1.00 0.00 N ATOM 218 CA VAL A 29 -0.129 -9.187 4.884 1.00 0.00 C ATOM 219 C VAL A 29 -1.475 -8.781 4.280 1.00 0.00 C ATOM 220 O VAL A 29 -1.525 -8.114 3.245 1.00 0.00 O ATOM 221 CB VAL A 29 0.298 -8.114 5.910 1.00 0.00 C ATOM 222 CG1 VAL A 29 1.366 -8.660 6.848 1.00 0.00 C ATOM 223 CG2 VAL A 29 0.788 -6.855 5.207 1.00 0.00 C ATOM 0 H VAL A 29 1.020 -8.571 3.237 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.234 -10.146 5.391 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.575 -7.849 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.652 -7.888 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.972 -9.523 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.239 -8.961 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.083 -6.114 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.644 -7.099 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.012 -6.449 4.588 1.00 0.00 H new ATOM 233 N GLN A 30 -2.564 -9.181 4.939 1.00 0.00 N ATOM 234 CA GLN A 30 -3.910 -8.852 4.471 1.00 0.00 C ATOM 235 C GLN A 30 -4.415 -7.567 5.127 1.00 0.00 C ATOM 236 O GLN A 30 -4.685 -7.536 6.329 1.00 0.00 O ATOM 237 CB GLN A 30 -4.877 -10.006 4.760 1.00 0.00 C ATOM 238 CG GLN A 30 -5.902 -10.230 3.657 1.00 0.00 C ATOM 239 CD GLN A 30 -6.716 -11.495 3.859 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.330 -12.572 3.405 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.850 -11.372 4.541 1.00 0.00 N ATOM 0 H GLN A 30 -2.540 -9.732 5.797 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.863 -8.695 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.304 -10.922 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.399 -9.806 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.575 -9.374 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.390 -10.283 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.133 -10.460 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.437 -12.189 4.705 1.00 0.00 H new ATOM 250 N PHE A 31 -4.538 -6.508 4.326 1.00 0.00 N ATOM 251 CA PHE A 31 -5.007 -5.214 4.820 1.00 0.00 C ATOM 252 C PHE A 31 -6.375 -4.860 4.231 1.00 0.00 C ATOM 253 O PHE A 31 -6.824 -5.476 3.261 1.00 0.00 O ATOM 254 CB PHE A 31 -3.991 -4.120 4.475 1.00 0.00 C ATOM 255 CG PHE A 31 -3.223 -3.606 5.664 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.699 -2.533 6.402 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.024 -4.192 6.041 1.00 0.00 C ATOM 258 CE1 PHE A 31 -2.995 -2.056 7.492 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.316 -3.718 7.130 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.802 -2.648 7.856 1.00 0.00 C ATOM 0 H PHE A 31 -4.319 -6.522 3.330 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.110 -5.283 5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.287 -4.510 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.514 -3.287 4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.631 -2.064 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.639 -5.029 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.378 -1.220 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.384 -4.184 7.413 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.250 -2.275 8.706 1.00 0.00 H new ATOM 270 N LYS A 32 -7.030 -3.862 4.827 1.00 0.00 N ATOM 271 CA LYS A 32 -8.347 -3.417 4.371 1.00 0.00 C ATOM 272 C LYS A 32 -8.382 -1.898 4.195 1.00 0.00 C ATOM 273 O LYS A 32 -7.762 -1.161 4.965 1.00 0.00 O ATOM 274 CB LYS A 32 -9.425 -3.857 5.367 1.00 0.00 C ATOM 275 CG LYS A 32 -10.766 -4.168 4.719 1.00 0.00 C ATOM 276 CD LYS A 32 -11.370 -5.450 5.271 1.00 0.00 C ATOM 277 CE LYS A 32 -12.695 -5.779 4.599 1.00 0.00 C ATOM 278 NZ LYS A 32 -13.014 -7.233 4.666 1.00 0.00 N ATOM 0 H LYS A 32 -6.668 -3.346 5.629 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.546 -3.876 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.075 -4.741 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.564 -3.071 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.453 -3.339 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.637 -4.261 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.672 -6.274 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.522 -5.348 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.494 -5.211 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.660 -5.464 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.925 -7.411 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.266 -7.775 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.074 -7.530 5.661 1.00 0.00 H new ATOM 292 N ILE A 33 -9.107 -1.439 3.174 1.00 0.00 N ATOM 293 CA ILE A 33 -9.223 -0.007 2.887 1.00 0.00 C ATOM 294 C ILE A 33 -10.519 0.300 2.129 1.00 0.00 C ATOM 295 O ILE A 33 -11.004 -0.527 1.358 1.00 0.00 O ATOM 296 CB ILE A 33 -8.008 0.498 2.069 1.00 0.00 C ATOM 297 CG1 ILE A 33 -8.163 1.977 1.702 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.814 -0.341 0.814 1.00 0.00 C ATOM 299 CD1 ILE A 33 -6.846 2.719 1.618 1.00 0.00 C ATOM 0 H ILE A 33 -9.624 -2.039 2.531 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.243 0.515 3.844 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.122 0.395 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.676 2.054 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.798 2.463 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.955 0.032 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.641 -1.380 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.707 -0.277 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.031 3.760 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.341 2.673 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.217 2.258 0.857 1.00 0.00 H new ATOM 311 N LYS A 34 -11.076 1.491 2.357 1.00 0.00 N ATOM 312 CA LYS A 34 -12.316 1.904 1.692 1.00 0.00 C ATOM 313 C LYS A 34 -12.047 2.342 0.251 1.00 0.00 C ATOM 314 O LYS A 34 -10.896 2.378 -0.190 1.00 0.00 O ATOM 315 CB LYS A 34 -12.993 3.040 2.470 1.00 0.00 C ATOM 316 CG LYS A 34 -12.071 4.214 2.766 1.00 0.00 C ATOM 317 CD LYS A 34 -12.851 5.442 3.208 1.00 0.00 C ATOM 318 CE LYS A 34 -12.105 6.217 4.284 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.014 7.080 5.091 1.00 0.00 N ATOM 0 H LYS A 34 -10.690 2.186 2.996 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.986 1.044 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.851 3.398 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.377 2.645 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.362 3.933 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.489 4.453 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.030 6.089 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.827 5.138 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.592 5.517 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.339 6.836 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.462 7.588 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.485 7.766 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.730 6.488 5.558 1.00 0.00 H new ATOM 333 N ARG A 35 -13.113 2.674 -0.481 1.00 0.00 N ATOM 334 CA ARG A 35 -12.983 3.107 -1.871 1.00 0.00 C ATOM 335 C ARG A 35 -13.350 4.586 -2.034 1.00 0.00 C ATOM 336 O ARG A 35 -14.126 4.952 -2.920 1.00 0.00 O ATOM 337 CB ARG A 35 -13.858 2.236 -2.780 1.00 0.00 C ATOM 338 CG ARG A 35 -13.411 2.237 -4.235 1.00 0.00 C ATOM 339 CD ARG A 35 -14.568 2.523 -5.181 1.00 0.00 C ATOM 340 NE ARG A 35 -15.393 1.338 -5.427 1.00 0.00 N ATOM 341 CZ ARG A 35 -16.274 1.235 -6.426 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.453 2.244 -7.275 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.980 0.120 -6.577 1.00 0.00 N ATOM 0 H ARG A 35 -14.072 2.651 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.939 2.990 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.850 1.212 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.888 2.587 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.633 2.987 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.971 1.271 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.189 3.315 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.176 2.893 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.288 0.543 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.916 3.104 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.128 2.157 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.850 -0.658 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.653 0.042 -7.340 1.00 0.00 H new ATOM 357 N HIS A 36 -12.779 5.436 -1.178 1.00 0.00 N ATOM 358 CA HIS A 36 -13.036 6.878 -1.231 1.00 0.00 C ATOM 359 C HIS A 36 -11.902 7.670 -0.564 1.00 0.00 C ATOM 360 O HIS A 36 -12.137 8.724 0.031 1.00 0.00 O ATOM 361 CB HIS A 36 -14.381 7.204 -0.563 1.00 0.00 C ATOM 362 CG HIS A 36 -15.438 7.658 -1.523 1.00 0.00 C ATOM 363 ND1 HIS A 36 -15.301 8.774 -2.324 1.00 0.00 N ATOM 364 CD2 HIS A 36 -16.658 7.142 -1.809 1.00 0.00 C ATOM 365 CE1 HIS A 36 -16.390 8.925 -3.057 1.00 0.00 C ATOM 366 NE2 HIS A 36 -17.227 7.947 -2.765 1.00 0.00 N ATOM 0 H HIS A 36 -12.135 5.151 -0.440 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.081 7.174 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.738 6.319 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.225 7.981 0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -17.100 6.261 -1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.565 9.714 -3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -18.148 7.811 -3.182 1.00 0.00 H new ATOM 375 N THR A 37 -10.668 7.159 -0.670 1.00 0.00 N ATOM 376 CA THR A 37 -9.498 7.817 -0.081 1.00 0.00 C ATOM 377 C THR A 37 -8.206 7.329 -0.739 1.00 0.00 C ATOM 378 O THR A 37 -8.091 6.154 -1.093 1.00 0.00 O ATOM 379 CB THR A 37 -9.427 7.564 1.435 1.00 0.00 C ATOM 380 OG1 THR A 37 -10.020 6.322 1.782 1.00 0.00 O ATOM 381 CG2 THR A 37 -10.102 8.643 2.254 1.00 0.00 C ATOM 0 H THR A 37 -10.456 6.290 -1.160 1.00 0.00 H new ATOM 0 HA THR A 37 -9.604 8.887 -0.257 1.00 0.00 H new ATOM 0 HB THR A 37 -8.362 7.561 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.577 5.959 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.015 8.403 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.622 9.602 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.155 8.702 1.980 1.00 0.00 H new ATOM 389 N PRO A 38 -7.211 8.230 -0.912 1.00 0.00 N ATOM 390 CA PRO A 38 -5.920 7.884 -1.529 1.00 0.00 C ATOM 391 C PRO A 38 -5.202 6.749 -0.796 1.00 0.00 C ATOM 392 O PRO A 38 -5.545 6.418 0.342 1.00 0.00 O ATOM 393 CB PRO A 38 -5.108 9.182 -1.426 1.00 0.00 C ATOM 394 CG PRO A 38 -6.123 10.262 -1.282 1.00 0.00 C ATOM 395 CD PRO A 38 -7.267 9.653 -0.522 1.00 0.00 C ATOM 0 HA PRO A 38 -6.048 7.525 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.433 9.158 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.493 9.334 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.710 11.117 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.450 10.623 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.149 9.781 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.219 10.108 -0.794 1.00 0.00 H new ATOM 403 N LEU A 39 -4.204 6.158 -1.458 1.00 0.00 N ATOM 404 CA LEU A 39 -3.434 5.053 -0.873 1.00 0.00 C ATOM 405 C LEU A 39 -2.720 5.456 0.424 1.00 0.00 C ATOM 406 O LEU A 39 -2.260 4.590 1.171 1.00 0.00 O ATOM 407 CB LEU A 39 -2.409 4.517 -1.879 1.00 0.00 C ATOM 408 CG LEU A 39 -2.935 3.439 -2.829 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.814 2.925 -3.719 1.00 0.00 C ATOM 410 CD2 LEU A 39 -3.566 2.294 -2.045 1.00 0.00 C ATOM 0 H LEU A 39 -3.909 6.424 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.151 4.270 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.035 5.351 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.560 4.111 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.703 3.882 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.204 2.159 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.409 3.749 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.025 2.498 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.934 1.538 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.820 1.850 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.396 2.675 -1.449 1.00 0.00 H new ATOM 422 N SER A 40 -2.624 6.763 0.686 1.00 0.00 N ATOM 423 CA SER A 40 -1.964 7.259 1.895 1.00 0.00 C ATOM 424 C SER A 40 -2.525 6.580 3.150 1.00 0.00 C ATOM 425 O SER A 40 -1.795 6.354 4.118 1.00 0.00 O ATOM 426 CB SER A 40 -2.115 8.780 2.006 1.00 0.00 C ATOM 427 OG SER A 40 -3.424 9.139 2.420 1.00 0.00 O ATOM 0 H SER A 40 -2.994 7.494 0.078 1.00 0.00 H new ATOM 0 HA SER A 40 -0.904 7.015 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.387 9.169 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.897 9.241 1.043 1.00 0.00 H new ATOM 0 HG SER A 40 -3.491 10.115 2.484 1.00 0.00 H new ATOM 433 N LYS A 41 -3.822 6.249 3.125 1.00 0.00 N ATOM 434 CA LYS A 41 -4.469 5.587 4.258 1.00 0.00 C ATOM 435 C LYS A 41 -3.751 4.283 4.598 1.00 0.00 C ATOM 436 O LYS A 41 -3.259 4.109 5.714 1.00 0.00 O ATOM 437 CB LYS A 41 -5.944 5.303 3.947 1.00 0.00 C ATOM 438 CG LYS A 41 -6.904 6.301 4.577 1.00 0.00 C ATOM 439 CD LYS A 41 -7.226 5.933 6.019 1.00 0.00 C ATOM 440 CE LYS A 41 -7.069 7.128 6.948 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.053 6.726 8.384 1.00 0.00 N ATOM 0 H LYS A 41 -4.440 6.429 2.334 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.413 6.255 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.086 5.308 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.194 4.301 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.466 7.299 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.825 6.338 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.247 5.555 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.568 5.128 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.144 7.653 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.886 7.829 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.944 7.571 8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.946 6.248 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.258 6.078 8.554 1.00 0.00 H new ATOM 455 N LEU A 42 -3.682 3.377 3.621 1.00 0.00 N ATOM 456 CA LEU A 42 -3.009 2.094 3.807 1.00 0.00 C ATOM 457 C LEU A 42 -1.525 2.301 4.116 1.00 0.00 C ATOM 458 O LEU A 42 -0.950 1.583 4.934 1.00 0.00 O ATOM 459 CB LEU A 42 -3.171 1.220 2.558 1.00 0.00 C ATOM 460 CG LEU A 42 -2.465 -0.139 2.615 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.418 -1.219 3.105 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.895 -0.505 1.251 1.00 0.00 C ATOM 0 H LEU A 42 -4.085 3.510 2.693 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.471 1.586 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.234 1.052 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.793 1.772 1.697 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.639 -0.066 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.897 -2.176 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.774 -0.965 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.267 -1.291 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.398 -1.473 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.703 -0.558 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.176 0.253 0.942 1.00 0.00 H new ATOM 474 N MET A 43 -0.915 3.290 3.457 1.00 0.00 N ATOM 475 CA MET A 43 0.500 3.596 3.661 1.00 0.00 C ATOM 476 C MET A 43 0.800 3.837 5.139 1.00 0.00 C ATOM 477 O MET A 43 1.671 3.187 5.712 1.00 0.00 O ATOM 478 CB MET A 43 0.909 4.825 2.841 1.00 0.00 C ATOM 479 CG MET A 43 2.414 5.021 2.749 1.00 0.00 C ATOM 480 SD MET A 43 3.041 6.187 3.973 1.00 0.00 S ATOM 481 CE MET A 43 4.591 6.668 3.217 1.00 0.00 C ATOM 0 H MET A 43 -1.381 3.892 2.778 1.00 0.00 H new ATOM 0 HA MET A 43 1.079 2.736 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.501 4.732 1.835 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.462 5.714 3.286 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.910 4.060 2.882 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.669 5.376 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.420 6.287 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.648 6.255 2.210 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.650 7.755 3.167 1.00 0.00 H new ATOM 491 N LYS A 44 0.071 4.773 5.748 1.00 0.00 N ATOM 492 CA LYS A 44 0.259 5.097 7.162 1.00 0.00 C ATOM 493 C LYS A 44 -0.027 3.885 8.051 1.00 0.00 C ATOM 494 O LYS A 44 0.722 3.606 8.987 1.00 0.00 O ATOM 495 CB LYS A 44 -0.641 6.267 7.573 1.00 0.00 C ATOM 496 CG LYS A 44 -0.334 7.566 6.845 1.00 0.00 C ATOM 497 CD LYS A 44 -1.576 8.431 6.700 1.00 0.00 C ATOM 498 CE LYS A 44 -1.265 9.732 5.978 1.00 0.00 C ATOM 499 NZ LYS A 44 -2.492 10.364 5.419 1.00 0.00 N ATOM 0 H LYS A 44 -0.655 5.320 5.284 1.00 0.00 H new ATOM 0 HA LYS A 44 1.301 5.386 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.680 5.995 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.540 6.431 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.433 8.117 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.073 7.344 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.341 7.882 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.986 8.649 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.783 10.424 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.556 9.540 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.318 11.377 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.738 9.907 4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.278 10.250 6.090 1.00 0.00 H new ATOM 513 N ALA A 45 -1.115 3.169 7.754 1.00 0.00 N ATOM 514 CA ALA A 45 -1.497 1.987 8.531 1.00 0.00 C ATOM 515 C ALA A 45 -0.408 0.913 8.493 1.00 0.00 C ATOM 516 O ALA A 45 -0.111 0.287 9.509 1.00 0.00 O ATOM 517 CB ALA A 45 -2.815 1.419 8.021 1.00 0.00 C ATOM 0 H ALA A 45 -1.746 3.387 6.983 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.622 2.299 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.085 0.541 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.597 2.173 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.708 1.136 6.974 1.00 0.00 H new ATOM 523 N TYR A 46 0.174 0.703 7.313 1.00 0.00 N ATOM 524 CA TYR A 46 1.225 -0.299 7.130 1.00 0.00 C ATOM 525 C TYR A 46 2.575 0.204 7.650 1.00 0.00 C ATOM 526 O TYR A 46 3.314 -0.541 8.296 1.00 0.00 O ATOM 527 CB TYR A 46 1.331 -0.666 5.644 1.00 0.00 C ATOM 528 CG TYR A 46 2.335 -1.757 5.330 1.00 0.00 C ATOM 529 CD1 TYR A 46 3.678 -1.458 5.127 1.00 0.00 C ATOM 530 CD2 TYR A 46 1.935 -3.084 5.216 1.00 0.00 C ATOM 531 CE1 TYR A 46 4.592 -2.450 4.825 1.00 0.00 C ATOM 532 CE2 TYR A 46 2.844 -4.080 4.912 1.00 0.00 C ATOM 533 CZ TYR A 46 4.170 -3.759 4.717 1.00 0.00 C ATOM 534 OH TYR A 46 5.075 -4.750 4.410 1.00 0.00 O ATOM 0 H TYR A 46 -0.066 1.216 6.465 1.00 0.00 H new ATOM 0 HA TYR A 46 0.959 -1.185 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.349 -0.982 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.599 0.228 5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.012 -0.434 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.897 -3.341 5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.632 -2.201 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.516 -5.106 4.828 1.00 0.00 H new ATOM 0 HH TYR A 46 4.614 -5.614 4.373 1.00 0.00 H new ATOM 544 N SER A 47 2.894 1.468 7.361 1.00 0.00 N ATOM 545 CA SER A 47 4.160 2.065 7.794 1.00 0.00 C ATOM 546 C SER A 47 4.234 2.177 9.317 1.00 0.00 C ATOM 547 O SER A 47 5.272 1.892 9.918 1.00 0.00 O ATOM 548 CB SER A 47 4.346 3.450 7.159 1.00 0.00 C ATOM 549 OG SER A 47 3.371 4.370 7.626 1.00 0.00 O ATOM 0 H SER A 47 2.293 2.098 6.829 1.00 0.00 H new ATOM 0 HA SER A 47 4.964 1.408 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.343 3.826 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.279 3.366 6.074 1.00 0.00 H new ATOM 0 HG SER A 47 3.517 5.243 7.205 1.00 0.00 H new ATOM 555 N GLU A 48 3.132 2.604 9.932 1.00 0.00 N ATOM 556 CA GLU A 48 3.072 2.766 11.384 1.00 0.00 C ATOM 557 C GLU A 48 2.976 1.418 12.106 1.00 0.00 C ATOM 558 O GLU A 48 3.522 1.259 13.199 1.00 0.00 O ATOM 559 CB GLU A 48 1.888 3.658 11.769 1.00 0.00 C ATOM 560 CG GLU A 48 2.123 4.470 13.034 1.00 0.00 C ATOM 561 CD GLU A 48 1.815 5.947 12.859 1.00 0.00 C ATOM 562 OE1 GLU A 48 0.798 6.274 12.208 1.00 0.00 O ATOM 563 OE2 GLU A 48 2.590 6.778 13.377 1.00 0.00 O ATOM 0 H GLU A 48 2.268 2.844 9.447 1.00 0.00 H new ATOM 0 HA GLU A 48 4.000 3.243 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.674 4.339 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.004 3.035 11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.504 4.068 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.162 4.356 13.344 1.00 0.00 H new ATOM 570 N ARG A 49 2.277 0.455 11.499 1.00 0.00 N ATOM 571 CA ARG A 49 2.112 -0.873 12.098 1.00 0.00 C ATOM 572 C ARG A 49 3.463 -1.503 12.444 1.00 0.00 C ATOM 573 O ARG A 49 3.711 -1.860 13.596 1.00 0.00 O ATOM 574 CB ARG A 49 1.332 -1.797 11.155 1.00 0.00 C ATOM 575 CG ARG A 49 -0.111 -2.029 11.578 1.00 0.00 C ATOM 576 CD ARG A 49 -0.562 -3.451 11.276 1.00 0.00 C ATOM 577 NE ARG A 49 -1.660 -3.878 12.145 1.00 0.00 N ATOM 578 CZ ARG A 49 -2.464 -4.913 11.885 1.00 0.00 C ATOM 579 NH1 ARG A 49 -2.304 -5.634 10.777 1.00 0.00 N ATOM 580 NH2 ARG A 49 -3.433 -5.229 12.738 1.00 0.00 N ATOM 0 H ARG A 49 1.817 0.569 10.596 1.00 0.00 H new ATOM 0 HA ARG A 49 1.548 -0.747 13.022 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.343 -1.370 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.843 -2.758 11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.214 -1.833 12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.760 -1.323 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.878 -3.517 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.281 -4.131 11.397 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.822 -3.352 13.004 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.562 -5.398 10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.923 -6.422 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.562 -4.682 13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.048 -6.019 12.542 1.00 0.00 H new ATOM 594 N GLN A 50 4.331 -1.638 11.443 1.00 0.00 N ATOM 595 CA GLN A 50 5.654 -2.226 11.649 1.00 0.00 C ATOM 596 C GLN A 50 6.644 -1.189 12.182 1.00 0.00 C ATOM 597 O GLN A 50 7.364 -1.446 13.147 1.00 0.00 O ATOM 598 CB GLN A 50 6.182 -2.824 10.342 1.00 0.00 C ATOM 599 CG GLN A 50 5.399 -4.035 9.859 1.00 0.00 C ATOM 600 CD GLN A 50 4.656 -3.766 8.565 1.00 0.00 C ATOM 601 OE1 GLN A 50 5.242 -3.794 7.484 1.00 0.00 O ATOM 602 NE2 GLN A 50 3.359 -3.502 8.670 1.00 0.00 N ATOM 0 H GLN A 50 4.143 -1.349 10.483 1.00 0.00 H new ATOM 0 HA GLN A 50 5.554 -3.018 12.391 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.160 -2.057 9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.225 -3.109 10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.082 -4.872 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.687 -4.334 10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.914 -3.489 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.808 -3.312 7.833 1.00 0.00 H new ATOM 611 N GLY A 51 6.673 -0.017 11.545 1.00 0.00 N ATOM 612 CA GLY A 51 7.576 1.041 11.965 1.00 0.00 C ATOM 613 C GLY A 51 8.746 1.224 11.016 1.00 0.00 C ATOM 614 O GLY A 51 9.904 1.139 11.429 1.00 0.00 O ATOM 0 H GLY A 51 6.085 0.217 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.023 1.977 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.954 0.816 12.962 1.00 0.00 H new ATOM 618 N LEU A 52 8.445 1.481 9.742 1.00 0.00 N ATOM 619 CA LEU A 52 9.481 1.685 8.733 1.00 0.00 C ATOM 620 C LEU A 52 9.839 3.171 8.628 1.00 0.00 C ATOM 621 O LEU A 52 10.849 3.613 9.177 1.00 0.00 O ATOM 622 CB LEU A 52 9.017 1.153 7.370 1.00 0.00 C ATOM 623 CG LEU A 52 8.978 -0.373 7.231 1.00 0.00 C ATOM 624 CD1 LEU A 52 10.373 -0.966 7.373 1.00 0.00 C ATOM 625 CD2 LEU A 52 8.027 -0.989 8.248 1.00 0.00 C ATOM 0 H LEU A 52 7.492 1.552 9.386 1.00 0.00 H new ATOM 0 HA LEU A 52 10.370 1.132 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.019 1.543 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.677 1.553 6.600 1.00 0.00 H new ATOM 0 HG LEU A 52 8.607 -0.609 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.320 -2.050 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.022 -0.560 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.778 -0.714 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.018 -2.072 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.359 -0.738 9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.022 -0.598 8.090 1.00 0.00 H new ATOM 637 N SER A 53 8.994 3.935 7.929 1.00 0.00 N ATOM 638 CA SER A 53 9.202 5.373 7.753 1.00 0.00 C ATOM 639 C SER A 53 7.987 6.017 7.083 1.00 0.00 C ATOM 640 O SER A 53 7.212 5.340 6.406 1.00 0.00 O ATOM 641 CB SER A 53 10.454 5.640 6.910 1.00 0.00 C ATOM 642 OG SER A 53 11.565 5.964 7.729 1.00 0.00 O ATOM 0 H SER A 53 8.154 3.577 7.474 1.00 0.00 H new ATOM 0 HA SER A 53 9.338 5.814 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.686 4.760 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.260 6.457 6.216 1.00 0.00 H new ATOM 0 HG SER A 53 11.645 5.303 8.449 1.00 0.00 H new ATOM 648 N MET A 54 7.831 7.328 7.264 1.00 0.00 N ATOM 649 CA MET A 54 6.717 8.057 6.660 1.00 0.00 C ATOM 650 C MET A 54 7.192 8.848 5.442 1.00 0.00 C ATOM 651 O MET A 54 6.482 8.947 4.441 1.00 0.00 O ATOM 652 CB MET A 54 6.065 8.998 7.676 1.00 0.00 C ATOM 653 CG MET A 54 4.549 9.057 7.565 1.00 0.00 C ATOM 654 SD MET A 54 3.981 10.455 6.577 1.00 0.00 S ATOM 655 CE MET A 54 2.225 10.114 6.482 1.00 0.00 C ATOM 0 H MET A 54 8.460 7.905 7.822 1.00 0.00 H new ATOM 0 HA MET A 54 5.973 7.328 6.338 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.335 8.677 8.682 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.470 10.001 7.542 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.184 8.131 7.121 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.117 9.123 8.564 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.734 10.894 5.900 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.067 9.149 6.001 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.804 10.092 7.487 1.00 0.00 H new ATOM 665 N ARG A 55 8.401 9.401 5.533 1.00 0.00 N ATOM 666 CA ARG A 55 8.982 10.175 4.440 1.00 0.00 C ATOM 667 C ARG A 55 10.014 9.342 3.660 1.00 0.00 C ATOM 668 O ARG A 55 10.936 9.893 3.053 1.00 0.00 O ATOM 669 CB ARG A 55 9.629 11.452 4.995 1.00 0.00 C ATOM 670 CG ARG A 55 9.942 12.498 3.935 1.00 0.00 C ATOM 671 CD ARG A 55 8.787 13.468 3.740 1.00 0.00 C ATOM 672 NE ARG A 55 7.963 13.117 2.582 1.00 0.00 N ATOM 673 CZ ARG A 55 8.375 13.208 1.314 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.609 13.623 1.033 1.00 0.00 N ATOM 675 NH2 ARG A 55 7.553 12.877 0.324 1.00 0.00 N ATOM 0 H ARG A 55 8.998 9.326 6.357 1.00 0.00 H new ATOM 0 HA ARG A 55 8.186 10.450 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.963 11.891 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.551 11.185 5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.836 13.051 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.164 12.003 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.167 13.477 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.179 14.477 3.613 1.00 0.00 H new ATOM 0 HE ARG A 55 7.015 12.782 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.247 13.874 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.916 13.690 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.608 12.554 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.867 12.946 -0.644 1.00 0.00 H new ATOM 689 N GLN A 56 9.845 8.013 3.663 1.00 0.00 N ATOM 690 CA GLN A 56 10.747 7.121 2.943 1.00 0.00 C ATOM 691 C GLN A 56 10.085 5.764 2.710 1.00 0.00 C ATOM 692 O GLN A 56 10.385 4.784 3.394 1.00 0.00 O ATOM 693 CB GLN A 56 12.056 6.937 3.720 1.00 0.00 C ATOM 694 CG GLN A 56 13.248 7.631 3.077 1.00 0.00 C ATOM 695 CD GLN A 56 14.000 6.734 2.108 1.00 0.00 C ATOM 696 OE1 GLN A 56 14.136 7.055 0.928 1.00 0.00 O ATOM 697 NE2 GLN A 56 14.492 5.600 2.600 1.00 0.00 N ATOM 0 H GLN A 56 9.090 7.537 4.158 1.00 0.00 H new ATOM 0 HA GLN A 56 10.973 7.573 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.925 7.320 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.270 5.872 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.903 8.520 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.931 7.968 3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.357 5.371 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.004 4.960 1.992 1.00 0.00 H new ATOM 706 N ILE A 57 9.197 5.723 1.722 1.00 0.00 N ATOM 707 CA ILE A 57 8.481 4.497 1.356 1.00 0.00 C ATOM 708 C ILE A 57 8.088 4.528 -0.123 1.00 0.00 C ATOM 709 O ILE A 57 7.980 5.600 -0.723 1.00 0.00 O ATOM 710 CB ILE A 57 7.196 4.289 2.201 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.478 4.425 3.703 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.571 2.931 1.906 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.207 3.237 4.305 1.00 0.00 C ATOM 0 H ILE A 57 8.951 6.533 1.152 1.00 0.00 H new ATOM 0 HA ILE A 57 9.164 3.670 1.553 1.00 0.00 H new ATOM 0 HB ILE A 57 6.492 5.072 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.070 5.325 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.533 4.563 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.672 2.806 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.311 2.872 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.283 2.142 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.369 3.410 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.608 2.336 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.169 3.110 3.808 1.00 0.00 H new ATOM 725 N ARG A 58 7.862 3.348 -0.699 1.00 0.00 N ATOM 726 CA ARG A 58 7.465 3.242 -2.104 1.00 0.00 C ATOM 727 C ARG A 58 6.782 1.904 -2.385 1.00 0.00 C ATOM 728 O ARG A 58 7.352 0.839 -2.141 1.00 0.00 O ATOM 729 CB ARG A 58 8.674 3.427 -3.032 1.00 0.00 C ATOM 730 CG ARG A 58 9.718 2.321 -2.933 1.00 0.00 C ATOM 731 CD ARG A 58 9.781 1.486 -4.206 1.00 0.00 C ATOM 732 NE ARG A 58 9.900 2.318 -5.405 1.00 0.00 N ATOM 733 CZ ARG A 58 11.022 2.942 -5.776 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.143 2.792 -5.073 1.00 0.00 N ATOM 735 NH2 ARG A 58 11.025 3.712 -6.860 1.00 0.00 N ATOM 0 H ARG A 58 7.947 2.453 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 58 6.750 4.040 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.321 3.486 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.150 4.381 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.696 2.761 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.484 1.676 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.631 0.806 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.885 0.870 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 58 9.075 2.428 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.150 2.197 -4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.995 3.272 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.172 3.826 -7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.881 4.189 -7.144 1.00 0.00 H new ATOM 749 N PHE A 59 5.557 1.970 -2.902 1.00 0.00 N ATOM 750 CA PHE A 59 4.793 0.768 -3.222 1.00 0.00 C ATOM 751 C PHE A 59 4.995 0.371 -4.682 1.00 0.00 C ATOM 752 O PHE A 59 5.267 1.220 -5.534 1.00 0.00 O ATOM 753 CB PHE A 59 3.304 0.990 -2.939 1.00 0.00 C ATOM 754 CG PHE A 59 2.981 1.069 -1.472 1.00 0.00 C ATOM 755 CD1 PHE A 59 2.945 -0.078 -0.694 1.00 0.00 C ATOM 756 CD2 PHE A 59 2.717 2.289 -0.871 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.651 -0.008 0.655 1.00 0.00 C ATOM 758 CE2 PHE A 59 2.424 2.365 0.477 1.00 0.00 C ATOM 759 CZ PHE A 59 2.391 1.215 1.241 1.00 0.00 C ATOM 0 H PHE A 59 5.073 2.844 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 59 5.155 -0.043 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.983 1.912 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.731 0.178 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.149 -1.037 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.741 3.192 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.625 -0.909 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.221 3.323 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.162 1.272 2.295 1.00 0.00 H new ATOM 769 N ARG A 60 4.870 -0.924 -4.963 1.00 0.00 N ATOM 770 CA ARG A 60 5.047 -1.434 -6.320 1.00 0.00 C ATOM 771 C ARG A 60 3.907 -2.371 -6.712 1.00 0.00 C ATOM 772 O ARG A 60 3.608 -3.332 -6.001 1.00 0.00 O ATOM 773 CB ARG A 60 6.387 -2.167 -6.435 1.00 0.00 C ATOM 774 CG ARG A 60 7.173 -1.807 -7.685 1.00 0.00 C ATOM 775 CD ARG A 60 8.672 -1.893 -7.442 1.00 0.00 C ATOM 776 NE ARG A 60 9.394 -2.378 -8.618 1.00 0.00 N ATOM 777 CZ ARG A 60 10.641 -2.850 -8.586 1.00 0.00 C ATOM 778 NH1 ARG A 60 11.318 -2.893 -7.441 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.217 -3.279 -9.705 1.00 0.00 N ATOM 0 H ARG A 60 4.647 -1.638 -4.270 1.00 0.00 H new ATOM 0 HA ARG A 60 5.039 -0.585 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.992 -1.940 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.205 -3.242 -6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.895 -2.479 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.912 -0.798 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.051 -0.909 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.865 -2.557 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 60 8.914 -2.354 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.884 -2.563 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.271 -3.256 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.705 -3.247 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.171 -3.640 -9.682 1.00 0.00 H new ATOM 793 N PHE A 61 3.281 -2.086 -7.853 1.00 0.00 N ATOM 794 CA PHE A 61 2.180 -2.903 -8.353 1.00 0.00 C ATOM 795 C PHE A 61 2.659 -3.797 -9.497 1.00 0.00 C ATOM 796 O PHE A 61 2.655 -3.389 -10.661 1.00 0.00 O ATOM 797 CB PHE A 61 1.024 -2.010 -8.820 1.00 0.00 C ATOM 798 CG PHE A 61 -0.171 -2.772 -9.328 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.734 -3.794 -8.579 1.00 0.00 C ATOM 800 CD2 PHE A 61 -0.731 -2.463 -10.558 1.00 0.00 C ATOM 801 CE1 PHE A 61 -1.831 -4.492 -9.047 1.00 0.00 C ATOM 802 CE2 PHE A 61 -1.827 -3.158 -11.031 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.378 -4.174 -10.275 1.00 0.00 C ATOM 0 H PHE A 61 3.519 -1.293 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 61 1.822 -3.539 -7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.712 -1.375 -7.991 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.384 -1.350 -9.609 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.310 -4.048 -7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.305 -1.669 -11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.260 -5.285 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.253 -2.907 -11.991 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.235 -4.719 -10.643 1.00 0.00 H new ATOM 813 N ASP A 62 3.086 -5.014 -9.149 1.00 0.00 N ATOM 814 CA ASP A 62 3.587 -5.980 -10.131 1.00 0.00 C ATOM 815 C ASP A 62 4.703 -5.369 -10.988 1.00 0.00 C ATOM 816 O ASP A 62 4.777 -5.603 -12.197 1.00 0.00 O ATOM 817 CB ASP A 62 2.443 -6.490 -11.017 1.00 0.00 C ATOM 818 CG ASP A 62 1.990 -7.885 -10.628 1.00 0.00 C ATOM 819 OD1 ASP A 62 2.823 -8.816 -10.678 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.805 -8.046 -10.272 1.00 0.00 O ATOM 0 H ASP A 62 3.095 -5.355 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 62 4.007 -6.826 -9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.599 -5.804 -10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.766 -6.493 -12.058 1.00 0.00 H new ATOM 825 N GLY A 63 5.570 -4.583 -10.346 1.00 0.00 N ATOM 826 CA GLY A 63 6.670 -3.945 -11.052 1.00 0.00 C ATOM 827 C GLY A 63 6.338 -2.536 -11.523 1.00 0.00 C ATOM 828 O GLY A 63 6.982 -2.019 -12.438 1.00 0.00 O ATOM 0 H GLY A 63 5.528 -4.378 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.541 -3.907 -10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.944 -4.555 -11.913 1.00 0.00 H new ATOM 832 N GLN A 64 5.337 -1.912 -10.899 1.00 0.00 N ATOM 833 CA GLN A 64 4.926 -0.560 -11.259 1.00 0.00 C ATOM 834 C GLN A 64 5.107 0.387 -10.072 1.00 0.00 C ATOM 835 O GLN A 64 4.231 0.485 -9.210 1.00 0.00 O ATOM 836 CB GLN A 64 3.465 -0.558 -11.721 1.00 0.00 C ATOM 837 CG GLN A 64 3.180 0.412 -12.858 1.00 0.00 C ATOM 838 CD GLN A 64 1.814 0.187 -13.480 1.00 0.00 C ATOM 839 OE1 GLN A 64 0.800 0.655 -12.964 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.780 -0.537 -14.594 1.00 0.00 N ATOM 0 H GLN A 64 4.796 -2.326 -10.140 1.00 0.00 H new ATOM 0 HA GLN A 64 5.554 -0.212 -12.079 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.193 -1.565 -12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.826 -0.307 -10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.243 1.434 -12.485 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.948 0.305 -13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.645 -0.906 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.889 -0.723 -15.054 1.00 0.00 H new ATOM 849 N PRO A 65 6.257 1.090 -10.006 1.00 0.00 N ATOM 850 CA PRO A 65 6.560 2.028 -8.915 1.00 0.00 C ATOM 851 C PRO A 65 5.453 3.060 -8.708 1.00 0.00 C ATOM 852 O PRO A 65 5.301 3.990 -9.503 1.00 0.00 O ATOM 853 CB PRO A 65 7.852 2.710 -9.378 1.00 0.00 C ATOM 854 CG PRO A 65 8.491 1.722 -10.289 1.00 0.00 C ATOM 855 CD PRO A 65 7.361 1.016 -10.985 1.00 0.00 C ATOM 0 HA PRO A 65 6.653 1.518 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.643 3.647 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.499 2.948 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.144 2.218 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.108 1.017 -9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.099 1.505 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.618 -0.016 -11.224 1.00 0.00 H new ATOM 863 N ILE A 66 4.683 2.885 -7.634 1.00 0.00 N ATOM 864 CA ILE A 66 3.585 3.796 -7.314 1.00 0.00 C ATOM 865 C ILE A 66 3.868 4.579 -6.032 1.00 0.00 C ATOM 866 O ILE A 66 4.704 4.180 -5.218 1.00 0.00 O ATOM 867 CB ILE A 66 2.241 3.045 -7.164 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.409 1.794 -6.292 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.685 2.677 -8.531 1.00 0.00 C ATOM 870 CD1 ILE A 66 1.098 1.143 -5.904 1.00 0.00 C ATOM 0 H ILE A 66 4.800 2.119 -6.970 1.00 0.00 H new ATOM 0 HA ILE A 66 3.507 4.491 -8.150 1.00 0.00 H new ATOM 0 HB ILE A 66 1.531 3.708 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.021 1.068 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.953 2.063 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.739 2.149 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.522 3.584 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.395 2.034 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.296 0.265 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.492 1.853 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.561 0.842 -6.804 1.00 0.00 H new ATOM 882 N ASN A 67 3.162 5.698 -5.865 1.00 0.00 N ATOM 883 CA ASN A 67 3.326 6.551 -4.688 1.00 0.00 C ATOM 884 C ASN A 67 2.168 6.363 -3.706 1.00 0.00 C ATOM 885 O ASN A 67 1.122 5.818 -4.065 1.00 0.00 O ATOM 886 CB ASN A 67 3.409 8.024 -5.112 1.00 0.00 C ATOM 887 CG ASN A 67 4.341 8.836 -4.232 1.00 0.00 C ATOM 888 OD1 ASN A 67 4.433 8.607 -3.025 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.037 9.797 -4.830 1.00 0.00 N ATOM 0 H ASN A 67 2.469 6.035 -6.533 1.00 0.00 H new ATOM 0 HA ASN A 67 4.252 6.263 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.750 8.081 -6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.412 8.463 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.676 10.377 -4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.932 9.954 -5.832 1.00 0.00 H new ATOM 896 N GLU A 68 2.356 6.830 -2.468 1.00 0.00 N ATOM 897 CA GLU A 68 1.321 6.725 -1.438 1.00 0.00 C ATOM 898 C GLU A 68 0.116 7.619 -1.762 1.00 0.00 C ATOM 899 O GLU A 68 -0.952 7.461 -1.175 1.00 0.00 O ATOM 900 CB GLU A 68 1.890 7.084 -0.056 1.00 0.00 C ATOM 901 CG GLU A 68 2.313 8.542 0.088 1.00 0.00 C ATOM 902 CD GLU A 68 2.425 8.980 1.538 1.00 0.00 C ATOM 903 OE1 GLU A 68 1.412 8.896 2.266 1.00 0.00 O ATOM 904 OE2 GLU A 68 3.525 9.410 1.944 1.00 0.00 O ATOM 0 H GLU A 68 3.215 7.284 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 68 0.980 5.690 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.140 6.859 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.750 6.446 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.273 8.688 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.591 9.178 -0.424 1.00 0.00 H new ATOM 911 N THR A 69 0.290 8.556 -2.698 1.00 0.00 N ATOM 912 CA THR A 69 -0.789 9.463 -3.090 1.00 0.00 C ATOM 913 C THR A 69 -1.600 8.901 -4.267 1.00 0.00 C ATOM 914 O THR A 69 -2.135 9.661 -5.078 1.00 0.00 O ATOM 915 CB THR A 69 -0.213 10.837 -3.455 1.00 0.00 C ATOM 916 OG1 THR A 69 0.921 10.700 -4.302 1.00 0.00 O ATOM 917 CG2 THR A 69 0.201 11.651 -2.246 1.00 0.00 C ATOM 0 H THR A 69 1.167 8.705 -3.197 1.00 0.00 H new ATOM 0 HA THR A 69 -1.464 9.567 -2.240 1.00 0.00 H new ATOM 0 HB THR A 69 -1.019 11.364 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.272 11.587 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.600 12.611 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.665 11.817 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.966 11.111 -1.689 1.00 0.00 H new ATOM 925 N ASP A 70 -1.693 7.570 -4.359 1.00 0.00 N ATOM 926 CA ASP A 70 -2.439 6.927 -5.437 1.00 0.00 C ATOM 927 C ASP A 70 -3.946 7.037 -5.213 1.00 0.00 C ATOM 928 O ASP A 70 -4.407 7.189 -4.081 1.00 0.00 O ATOM 929 CB ASP A 70 -2.035 5.457 -5.559 1.00 0.00 C ATOM 930 CG ASP A 70 -2.213 4.922 -6.967 1.00 0.00 C ATOM 931 OD1 ASP A 70 -3.347 4.524 -7.313 1.00 0.00 O ATOM 932 OD2 ASP A 70 -1.221 4.904 -7.723 1.00 0.00 O ATOM 0 H ASP A 70 -1.261 6.922 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.195 7.444 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.993 5.344 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.632 4.861 -4.869 1.00 0.00 H new ATOM 937 N THR A 71 -4.701 6.951 -6.308 1.00 0.00 N ATOM 938 CA THR A 71 -6.160 7.036 -6.257 1.00 0.00 C ATOM 939 C THR A 71 -6.801 6.447 -7.523 1.00 0.00 C ATOM 940 O THR A 71 -7.643 5.556 -7.427 1.00 0.00 O ATOM 941 CB THR A 71 -6.625 8.488 -6.058 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.546 9.337 -5.689 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.699 8.621 -4.998 1.00 0.00 C ATOM 0 H THR A 71 -4.323 6.822 -7.247 1.00 0.00 H new ATOM 0 HA THR A 71 -6.486 6.446 -5.401 1.00 0.00 H new ATOM 0 HB THR A 71 -7.034 8.789 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.875 10.253 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.988 9.668 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.569 8.030 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.315 8.261 -4.044 1.00 0.00 H new ATOM 951 N PRO A 72 -6.421 6.932 -8.734 1.00 0.00 N ATOM 952 CA PRO A 72 -6.984 6.426 -9.998 1.00 0.00 C ATOM 953 C PRO A 72 -6.893 4.903 -10.119 1.00 0.00 C ATOM 954 O PRO A 72 -7.903 4.235 -10.346 1.00 0.00 O ATOM 955 CB PRO A 72 -6.131 7.107 -11.070 1.00 0.00 C ATOM 956 CG PRO A 72 -5.632 8.349 -10.422 1.00 0.00 C ATOM 957 CD PRO A 72 -5.429 8.004 -8.971 1.00 0.00 C ATOM 0 HA PRO A 72 -8.048 6.646 -10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.307 6.467 -11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.719 7.333 -11.960 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.700 8.680 -10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.349 9.163 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.413 7.661 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.604 8.864 -8.325 1.00 0.00 H new ATOM 965 N ALA A 73 -5.686 4.356 -9.952 1.00 0.00 N ATOM 966 CA ALA A 73 -5.488 2.909 -10.030 1.00 0.00 C ATOM 967 C ALA A 73 -6.270 2.202 -8.925 1.00 0.00 C ATOM 968 O ALA A 73 -6.828 1.122 -9.136 1.00 0.00 O ATOM 969 CB ALA A 73 -4.009 2.564 -9.936 1.00 0.00 C ATOM 0 H ALA A 73 -4.838 4.890 -9.763 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.861 2.564 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.883 1.483 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.472 3.038 -10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.611 2.924 -8.987 1.00 0.00 H new ATOM 975 N GLN A 74 -6.312 2.829 -7.748 1.00 0.00 N ATOM 976 CA GLN A 74 -7.031 2.278 -6.604 1.00 0.00 C ATOM 977 C GLN A 74 -8.546 2.262 -6.848 1.00 0.00 C ATOM 978 O GLN A 74 -9.272 1.512 -6.198 1.00 0.00 O ATOM 979 CB GLN A 74 -6.703 3.077 -5.342 1.00 0.00 C ATOM 980 CG GLN A 74 -6.991 2.322 -4.054 1.00 0.00 C ATOM 981 CD GLN A 74 -7.437 3.234 -2.928 1.00 0.00 C ATOM 982 OE1 GLN A 74 -8.481 3.016 -2.313 1.00 0.00 O ATOM 983 NE2 GLN A 74 -6.645 4.264 -2.651 1.00 0.00 N ATOM 0 H GLN A 74 -5.854 3.722 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.706 1.246 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.650 3.357 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.279 4.003 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.764 1.576 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.095 1.783 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.789 4.407 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.893 4.912 -1.903 1.00 0.00 H new ATOM 992 N LEU A 75 -9.018 3.080 -7.795 1.00 0.00 N ATOM 993 CA LEU A 75 -10.442 3.127 -8.123 1.00 0.00 C ATOM 994 C LEU A 75 -10.801 1.981 -9.068 1.00 0.00 C ATOM 995 O LEU A 75 -11.891 1.414 -8.983 1.00 0.00 O ATOM 996 CB LEU A 75 -10.807 4.471 -8.760 1.00 0.00 C ATOM 997 CG LEU A 75 -11.232 5.562 -7.773 1.00 0.00 C ATOM 998 CD1 LEU A 75 -11.235 6.927 -8.449 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.602 5.248 -7.188 1.00 0.00 C ATOM 0 H LEU A 75 -8.437 3.714 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.012 3.018 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.950 4.831 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.617 4.311 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.509 5.588 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.540 7.688 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.234 7.154 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.934 6.917 -9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.888 6.034 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.337 5.192 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.564 4.293 -6.664 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.869 1.641 -9.963 1.00 0.00 N ATOM 1012 CA GLU A 76 -10.080 0.556 -10.919 1.00 0.00 C ATOM 1013 C GLU A 76 -10.182 -0.795 -10.202 1.00 0.00 C ATOM 1014 O GLU A 76 -11.006 -1.637 -10.562 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.944 0.522 -11.947 1.00 0.00 C ATOM 1016 CG GLU A 76 -9.400 0.132 -13.346 1.00 0.00 C ATOM 1017 CD GLU A 76 -9.670 1.329 -14.242 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -8.814 2.239 -14.298 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -10.737 1.355 -14.890 1.00 0.00 O ATOM 0 H GLU A 76 -8.963 2.102 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.021 0.741 -11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.473 1.504 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.183 -0.183 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.638 -0.495 -13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.306 -0.470 -13.272 1.00 0.00 H new ATOM 1026 N MET A 77 -9.338 -0.989 -9.185 1.00 0.00 N ATOM 1027 CA MET A 77 -9.329 -2.228 -8.410 1.00 0.00 C ATOM 1028 C MET A 77 -9.929 -1.999 -7.025 1.00 0.00 C ATOM 1029 O MET A 77 -9.460 -1.148 -6.267 1.00 0.00 O ATOM 1030 CB MET A 77 -7.899 -2.767 -8.280 1.00 0.00 C ATOM 1031 CG MET A 77 -7.443 -3.600 -9.469 1.00 0.00 C ATOM 1032 SD MET A 77 -7.063 -2.591 -10.913 1.00 0.00 S ATOM 1033 CE MET A 77 -7.611 -3.671 -12.230 1.00 0.00 C ATOM 0 H MET A 77 -8.651 -0.300 -8.880 1.00 0.00 H new ATOM 0 HA MET A 77 -9.937 -2.964 -8.936 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.215 -1.928 -8.153 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.830 -3.373 -7.377 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.560 -4.175 -9.189 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.222 -4.318 -9.726 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.442 -3.187 -13.192 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.051 -4.606 -12.191 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.674 -3.880 -12.111 1.00 0.00 H new ATOM 1043 N GLU A 78 -10.969 -2.765 -6.703 1.00 0.00 N ATOM 1044 CA GLU A 78 -11.639 -2.648 -5.407 1.00 0.00 C ATOM 1045 C GLU A 78 -12.169 -4.000 -4.925 1.00 0.00 C ATOM 1046 O GLU A 78 -13.179 -4.066 -4.220 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.779 -1.624 -5.474 1.00 0.00 C ATOM 1048 CG GLU A 78 -13.686 -1.772 -6.688 1.00 0.00 C ATOM 1049 CD GLU A 78 -14.865 -2.695 -6.439 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -15.796 -2.287 -5.711 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -14.859 -3.823 -6.975 1.00 0.00 O ATOM 0 H GLU A 78 -11.367 -3.473 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.898 -2.301 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.383 -1.712 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.351 -0.621 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.056 -0.789 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.103 -2.154 -7.526 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.473 -5.072 -5.295 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.864 -6.421 -4.892 1.00 0.00 C ATOM 1060 C ASP A 79 -10.641 -7.331 -4.735 1.00 0.00 C ATOM 1061 O ASP A 79 -10.476 -7.985 -3.700 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.865 -7.031 -5.888 1.00 0.00 C ATOM 1063 CG ASP A 79 -12.569 -6.723 -7.352 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -11.441 -6.289 -7.669 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -13.478 -6.921 -8.184 1.00 0.00 O ATOM 0 H ASP A 79 -10.634 -5.033 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.354 -6.342 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.879 -8.113 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.864 -6.667 -5.648 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.787 -7.367 -5.759 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.584 -8.191 -5.728 1.00 0.00 C ATOM 1072 C GLU A 80 -7.381 -7.419 -6.264 1.00 0.00 C ATOM 1073 O GLU A 80 -7.199 -7.302 -7.479 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.793 -9.471 -6.542 1.00 0.00 C ATOM 1075 CG GLU A 80 -8.691 -10.735 -5.705 1.00 0.00 C ATOM 1076 CD GLU A 80 -8.106 -11.906 -6.470 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -6.994 -11.764 -7.025 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.757 -12.971 -6.509 1.00 0.00 O ATOM 0 H GLU A 80 -9.909 -6.833 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.385 -8.460 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.773 -9.436 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.053 -9.511 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.074 -10.535 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.683 -11.004 -5.341 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.564 -6.890 -5.354 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.381 -6.131 -5.740 1.00 0.00 C ATOM 1087 C ASP A 81 -4.201 -6.453 -4.821 1.00 0.00 C ATOM 1088 O ASP A 81 -4.349 -6.491 -3.597 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.691 -4.627 -5.721 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.530 -3.788 -6.220 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -3.554 -3.610 -5.459 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -4.594 -3.313 -7.372 1.00 0.00 O ATOM 0 H ASP A 81 -6.701 -6.974 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.101 -6.418 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.568 -4.432 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.943 -4.324 -4.705 1.00 0.00 H new ATOM 1097 N THR A 82 -3.035 -6.702 -5.423 1.00 0.00 N ATOM 1098 CA THR A 82 -1.830 -7.036 -4.662 1.00 0.00 C ATOM 1099 C THR A 82 -0.670 -6.105 -5.011 1.00 0.00 C ATOM 1100 O THR A 82 -0.428 -5.810 -6.183 1.00 0.00 O ATOM 1101 CB THR A 82 -1.425 -8.492 -4.922 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.376 -8.765 -6.312 1.00 0.00 O ATOM 1103 CG2 THR A 82 -2.364 -9.498 -4.292 1.00 0.00 C ATOM 0 H THR A 82 -2.901 -6.678 -6.434 1.00 0.00 H new ATOM 0 HA THR A 82 -2.061 -6.907 -3.605 1.00 0.00 H new ATOM 0 HB THR A 82 -0.441 -8.599 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.114 -9.699 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.019 -10.507 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.383 -9.351 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.368 -9.361 -4.694 1.00 0.00 H new ATOM 1111 N ILE A 83 0.049 -5.653 -3.982 1.00 0.00 N ATOM 1112 CA ILE A 83 1.191 -4.758 -4.165 1.00 0.00 C ATOM 1113 C ILE A 83 2.357 -5.151 -3.258 1.00 0.00 C ATOM 1114 O ILE A 83 2.171 -5.864 -2.273 1.00 0.00 O ATOM 1115 CB ILE A 83 0.819 -3.286 -3.874 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.211 -3.198 -2.739 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.295 -2.611 -5.134 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.041 -2.057 -1.774 1.00 0.00 C ATOM 0 H ILE A 83 -0.141 -5.894 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 83 1.489 -4.854 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 83 1.719 -2.761 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.205 -3.084 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.210 -4.137 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.038 -1.575 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.063 -2.636 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.592 -3.137 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.727 -2.059 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.021 -2.180 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.010 -1.110 -2.314 1.00 0.00 H new ATOM 1130 N ASP A 84 3.557 -4.669 -3.594 1.00 0.00 N ATOM 1131 CA ASP A 84 4.756 -4.956 -2.807 1.00 0.00 C ATOM 1132 C ASP A 84 5.454 -3.661 -2.398 1.00 0.00 C ATOM 1133 O ASP A 84 5.894 -2.888 -3.251 1.00 0.00 O ATOM 1134 CB ASP A 84 5.727 -5.833 -3.605 1.00 0.00 C ATOM 1135 CG ASP A 84 6.757 -6.517 -2.721 1.00 0.00 C ATOM 1136 OD1 ASP A 84 7.496 -5.806 -2.007 1.00 0.00 O ATOM 1137 OD2 ASP A 84 6.827 -7.763 -2.746 1.00 0.00 O ATOM 0 H ASP A 84 3.722 -4.077 -4.408 1.00 0.00 H new ATOM 0 HA ASP A 84 4.448 -5.492 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.163 -6.589 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.239 -5.220 -4.346 1.00 0.00 H new ATOM 1142 N VAL A 85 5.559 -3.433 -1.091 1.00 0.00 N ATOM 1143 CA VAL A 85 6.208 -2.233 -0.579 1.00 0.00 C ATOM 1144 C VAL A 85 7.727 -2.403 -0.536 1.00 0.00 C ATOM 1145 O VAL A 85 8.251 -3.309 0.117 1.00 0.00 O ATOM 1146 CB VAL A 85 5.681 -1.851 0.823 1.00 0.00 C ATOM 1147 CG1 VAL A 85 6.037 -2.912 1.855 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.213 -0.486 1.239 1.00 0.00 C ATOM 0 H VAL A 85 5.204 -4.062 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 85 5.964 -1.423 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 85 4.594 -1.795 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.653 -2.614 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.593 -3.865 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.120 -3.018 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.832 -0.233 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.302 -0.513 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.886 0.266 0.521 1.00 0.00 H new ATOM 1158 N PHE A 86 8.423 -1.519 -1.245 1.00 0.00 N ATOM 1159 CA PHE A 86 9.881 -1.550 -1.308 1.00 0.00 C ATOM 1160 C PHE A 86 10.484 -0.397 -0.502 1.00 0.00 C ATOM 1161 O PHE A 86 9.787 0.559 -0.152 1.00 0.00 O ATOM 1162 CB PHE A 86 10.341 -1.471 -2.768 1.00 0.00 C ATOM 1163 CG PHE A 86 10.352 -2.799 -3.478 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.183 -3.529 -3.641 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.534 -3.315 -3.987 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.196 -4.746 -4.296 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.550 -4.532 -4.643 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.380 -5.248 -4.798 1.00 0.00 C ATOM 0 H PHE A 86 7.997 -0.767 -1.787 1.00 0.00 H new ATOM 0 HA PHE A 86 10.227 -2.488 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.687 -0.787 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.344 -1.045 -2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.253 -3.142 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.453 -2.760 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.279 -5.305 -4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.478 -4.922 -5.034 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.391 -6.198 -5.311 1.00 0.00 H new ATOM 1178 N GLN A 87 11.783 -0.492 -0.210 1.00 0.00 N ATOM 1179 CA GLN A 87 12.475 0.543 0.555 1.00 0.00 C ATOM 1180 C GLN A 87 13.753 0.995 -0.154 1.00 0.00 C ATOM 1181 O GLN A 87 14.607 0.171 -0.488 1.00 0.00 O ATOM 1182 CB GLN A 87 12.814 0.027 1.957 1.00 0.00 C ATOM 1183 CG GLN A 87 11.705 0.256 2.973 1.00 0.00 C ATOM 1184 CD GLN A 87 11.843 -0.623 4.201 1.00 0.00 C ATOM 1185 OE1 GLN A 87 12.505 -0.254 5.171 1.00 0.00 O ATOM 1186 NE2 GLN A 87 11.216 -1.795 4.167 1.00 0.00 N ATOM 0 H GLN A 87 12.374 -1.274 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 87 11.808 1.401 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.029 -1.040 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.723 0.518 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.709 1.302 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.741 0.065 2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.678 -2.062 3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.273 -2.427 4.965 1.00 0.00 H new ATOM 1195 N GLN A 88 13.876 2.310 -0.371 1.00 0.00 N ATOM 1196 CA GLN A 88 15.051 2.890 -1.031 1.00 0.00 C ATOM 1197 C GLN A 88 15.150 2.443 -2.493 1.00 0.00 C ATOM 1198 O GLN A 88 14.317 1.672 -2.975 1.00 0.00 O ATOM 1199 CB GLN A 88 16.333 2.509 -0.276 1.00 0.00 C ATOM 1200 CG GLN A 88 16.276 2.799 1.218 1.00 0.00 C ATOM 1201 CD GLN A 88 16.960 1.728 2.050 1.00 0.00 C ATOM 1202 OE1 GLN A 88 17.870 2.017 2.826 1.00 0.00 O ATOM 1203 NE2 GLN A 88 16.525 0.481 1.891 1.00 0.00 N ATOM 0 H GLN A 88 13.172 2.995 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 88 14.937 3.974 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.528 1.447 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.174 3.051 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.747 3.762 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.234 2.884 1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.768 0.285 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.949 -0.279 2.423 1.00 0.00 H new ATOM 1212 N GLN A 89 16.175 2.934 -3.196 1.00 0.00 N ATOM 1213 CA GLN A 89 16.383 2.584 -4.599 1.00 0.00 C ATOM 1214 C GLN A 89 17.863 2.345 -4.894 1.00 0.00 C ATOM 1215 O GLN A 89 18.629 3.292 -5.084 1.00 0.00 O ATOM 1216 CB GLN A 89 15.840 3.684 -5.516 1.00 0.00 C ATOM 1217 CG GLN A 89 15.739 3.262 -6.975 1.00 0.00 C ATOM 1218 CD GLN A 89 14.372 3.540 -7.572 1.00 0.00 C ATOM 1219 OE1 GLN A 89 13.801 4.613 -7.375 1.00 0.00 O ATOM 1220 NE2 GLN A 89 13.835 2.570 -8.303 1.00 0.00 N ATOM 0 H GLN A 89 16.871 3.574 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 89 15.839 1.660 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.853 3.986 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.486 4.559 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.498 3.788 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.957 2.197 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.342 1.696 -8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.916 2.699 -8.726 1.00 0.00 H new ATOM 1229 N THR A 90 18.252 1.072 -4.938 1.00 0.00 N ATOM 1230 CA THR A 90 19.636 0.695 -5.219 1.00 0.00 C ATOM 1231 C THR A 90 20.043 1.122 -6.632 1.00 0.00 C ATOM 1232 O THR A 90 21.175 1.553 -6.857 1.00 0.00 O ATOM 1233 CB THR A 90 19.815 -0.819 -5.057 1.00 0.00 C ATOM 1234 OG1 THR A 90 19.297 -1.254 -3.809 1.00 0.00 O ATOM 1235 CG2 THR A 90 21.259 -1.266 -5.136 1.00 0.00 C ATOM 0 H THR A 90 17.626 0.282 -4.782 1.00 0.00 H new ATOM 0 HA THR A 90 20.280 1.209 -4.506 1.00 0.00 H new ATOM 0 HB THR A 90 19.270 -1.264 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.418 -2.223 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.312 -2.348 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.673 -0.990 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.833 -0.783 -4.346 1.00 0.00 H new ATOM 1243 N GLY A 91 19.111 0.999 -7.577 1.00 0.00 N ATOM 1244 CA GLY A 91 19.382 1.375 -8.954 1.00 0.00 C ATOM 1245 C GLY A 91 18.116 1.454 -9.790 1.00 0.00 C ATOM 1246 O GLY A 91 17.874 2.454 -10.471 1.00 0.00 O ATOM 0 H GLY A 91 18.169 0.644 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 91 19.887 2.341 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 91 20.064 0.650 -9.399 1.00 0.00 H new ATOM 1250 N GLY A 92 17.311 0.392 -9.736 1.00 0.00 N ATOM 1251 CA GLY A 92 16.073 0.348 -10.495 1.00 0.00 C ATOM 1252 C GLY A 92 16.215 -0.403 -11.808 1.00 0.00 C ATOM 1253 O GLY A 92 17.307 -0.953 -12.069 1.00 0.00 O ATOM 0 H GLY A 92 17.497 -0.441 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.299 -0.127 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.740 1.366 -10.698 1.00 0.00 H new TER 1257 GLY A 92