USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 53 HIS : no HE2:sc= 1.07 K(o=3.3,f=-6.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -27:sc= 2.19 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.47 K(o=1.1,f=-2.8) USER MOD Set 2.2: A 36 CYS SG : rot 163:sc= 0.651 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00108 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.91) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.61) USER MOD Single : A 37 SER OG : rot -81:sc= -2.09! USER MOD Single : A 39 MET CE :methyl -166:sc= -0.117 (180deg=-0.421) USER MOD Single : A 59 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.13) USER MOD Single : A 61 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.85) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -155:sc= -2.69! USER MOD Single : A 68 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=0.54) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= -0.0786 (180deg=-0.415) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 74:sc= 1.3 USER MOD Single : A 77 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.795 K(o=0.8,f=-4.7!) USER MOD Single : A 84 MET CE :methyl 171:sc= -4.46 (180deg=-5.44!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 166:sc=-0.00548 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 18.382 2.266 6.862 1.00 0.00 N ATOM 2 CA GLU A 7 18.127 0.919 7.344 1.00 0.00 C ATOM 3 C GLU A 7 17.789 -0.030 6.211 1.00 0.00 C ATOM 4 O GLU A 7 16.665 -0.025 5.692 1.00 0.00 O ATOM 5 CB GLU A 7 17.017 0.865 8.409 1.00 0.00 C ATOM 6 CG GLU A 7 17.353 1.510 9.746 1.00 0.00 C ATOM 7 CD GLU A 7 17.442 3.005 9.693 1.00 0.00 C ATOM 8 OE1 GLU A 7 18.492 3.543 9.279 1.00 0.00 O ATOM 9 OE2 GLU A 7 16.471 3.675 10.062 1.00 0.00 O ATOM 0 HA GLU A 7 19.057 0.597 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.128 1.350 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.758 -0.179 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.595 1.227 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.303 1.112 10.102 1.00 0.00 H new ATOM 16 N THR A 8 18.742 -0.827 5.819 1.00 0.00 N ATOM 17 CA THR A 8 18.532 -1.840 4.826 1.00 0.00 C ATOM 18 C THR A 8 19.280 -3.106 5.243 1.00 0.00 C ATOM 19 O THR A 8 20.515 -3.170 5.243 1.00 0.00 O ATOM 20 CB THR A 8 18.881 -1.377 3.356 1.00 0.00 C ATOM 21 OG1 THR A 8 18.642 -2.441 2.413 1.00 0.00 O ATOM 22 CG2 THR A 8 20.320 -0.875 3.217 1.00 0.00 C ATOM 0 H THR A 8 19.694 -0.791 6.183 1.00 0.00 H new ATOM 0 HA THR A 8 17.464 -2.053 4.782 1.00 0.00 H new ATOM 0 HB THR A 8 18.221 -0.538 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.863 -2.133 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.501 -0.571 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 8 20.474 -0.023 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 8 21.011 -1.673 3.487 1.00 0.00 H new ATOM 30 N MET A 9 18.530 -4.079 5.664 1.00 0.00 N ATOM 31 CA MET A 9 19.088 -5.317 6.148 1.00 0.00 C ATOM 32 C MET A 9 18.812 -6.411 5.142 1.00 0.00 C ATOM 33 O MET A 9 19.646 -7.300 4.909 1.00 0.00 O ATOM 34 CB MET A 9 18.473 -5.663 7.508 1.00 0.00 C ATOM 35 CG MET A 9 19.061 -6.893 8.181 1.00 0.00 C ATOM 36 SD MET A 9 18.305 -7.213 9.786 1.00 0.00 S ATOM 37 CE MET A 9 19.256 -8.623 10.328 1.00 0.00 C ATOM 0 H MET A 9 17.511 -4.042 5.684 1.00 0.00 H new ATOM 0 HA MET A 9 20.166 -5.216 6.274 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.595 -4.809 8.174 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.401 -5.815 7.378 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.922 -7.760 7.536 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.135 -6.758 8.307 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.907 -8.941 11.310 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.133 -9.440 9.617 1.00 0.00 H new ATOM 0 HE3 MET A 9 20.309 -8.350 10.388 1.00 0.00 H new ATOM 47 N GLY A 10 17.666 -6.313 4.511 1.00 0.00 N ATOM 48 CA GLY A 10 17.266 -7.284 3.559 1.00 0.00 C ATOM 49 C GLY A 10 16.028 -6.849 2.856 1.00 0.00 C ATOM 50 O GLY A 10 16.054 -5.903 2.062 1.00 0.00 O ATOM 0 H GLY A 10 16.997 -5.556 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.065 -7.442 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.092 -8.238 4.056 1.00 0.00 H new ATOM 54 N ASN A 11 14.947 -7.487 3.179 1.00 0.00 N ATOM 55 CA ASN A 11 13.677 -7.203 2.582 1.00 0.00 C ATOM 56 C ASN A 11 12.682 -6.953 3.658 1.00 0.00 C ATOM 57 O ASN A 11 12.294 -7.861 4.385 1.00 0.00 O ATOM 58 CB ASN A 11 13.209 -8.344 1.667 1.00 0.00 C ATOM 59 CG ASN A 11 14.048 -8.477 0.415 1.00 0.00 C ATOM 60 OD1 ASN A 11 13.758 -7.850 -0.604 1.00 0.00 O ATOM 61 ND2 ASN A 11 15.063 -9.302 0.458 1.00 0.00 N ATOM 0 H ASN A 11 14.920 -8.232 3.876 1.00 0.00 H new ATOM 0 HA ASN A 11 13.777 -6.316 1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.240 -9.283 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.170 -8.174 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.642 -9.441 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.275 -9.805 1.319 1.00 0.00 H new ATOM 68 N VAL A 12 12.323 -5.720 3.803 1.00 0.00 N ATOM 69 CA VAL A 12 11.378 -5.306 4.764 1.00 0.00 C ATOM 70 C VAL A 12 10.328 -4.512 4.068 1.00 0.00 C ATOM 71 O VAL A 12 10.617 -3.588 3.298 1.00 0.00 O ATOM 72 CB VAL A 12 11.993 -4.469 5.929 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.902 -3.915 6.834 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.924 -5.310 6.764 1.00 0.00 C ATOM 0 H VAL A 12 12.695 -4.958 3.236 1.00 0.00 H new ATOM 0 HA VAL A 12 10.964 -6.201 5.228 1.00 0.00 H new ATOM 0 HB VAL A 12 12.548 -3.647 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.356 -3.336 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.239 -3.273 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.329 -4.739 7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.339 -4.703 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.374 -6.149 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.734 -5.687 6.139 1.00 0.00 H new ATOM 84 N THR A 13 9.168 -4.908 4.294 1.00 0.00 N ATOM 85 CA THR A 13 8.014 -4.316 3.807 1.00 0.00 C ATOM 86 C THR A 13 7.260 -3.811 5.010 1.00 0.00 C ATOM 87 O THR A 13 6.824 -4.593 5.876 1.00 0.00 O ATOM 88 CB THR A 13 7.217 -5.383 3.072 1.00 0.00 C ATOM 89 OG1 THR A 13 7.947 -5.841 1.921 1.00 0.00 O ATOM 90 CG2 THR A 13 5.829 -4.920 2.700 1.00 0.00 C ATOM 0 H THR A 13 8.977 -5.725 4.874 1.00 0.00 H new ATOM 0 HA THR A 13 8.212 -3.495 3.118 1.00 0.00 H new ATOM 0 HB THR A 13 7.081 -6.220 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.426 -6.529 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.306 -5.721 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.279 -4.656 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.898 -4.048 2.050 1.00 0.00 H new ATOM 98 N THR A 14 7.166 -2.550 5.101 1.00 0.00 N ATOM 99 CA THR A 14 6.574 -1.937 6.206 1.00 0.00 C ATOM 100 C THR A 14 5.074 -1.837 6.002 1.00 0.00 C ATOM 101 O THR A 14 4.589 -1.542 4.902 1.00 0.00 O ATOM 102 CB THR A 14 7.188 -0.563 6.405 1.00 0.00 C ATOM 103 OG1 THR A 14 8.632 -0.697 6.430 1.00 0.00 O ATOM 104 CG2 THR A 14 6.720 0.065 7.712 1.00 0.00 C ATOM 0 H THR A 14 7.507 -1.901 4.392 1.00 0.00 H new ATOM 0 HA THR A 14 6.754 -2.535 7.100 1.00 0.00 H new ATOM 0 HB THR A 14 6.875 0.083 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.040 0.185 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.176 1.048 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.635 0.168 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.014 -0.571 8.547 1.00 0.00 H new ATOM 112 N VAL A 15 4.374 -2.118 7.038 1.00 0.00 N ATOM 113 CA VAL A 15 2.968 -2.095 7.064 1.00 0.00 C ATOM 114 C VAL A 15 2.518 -1.085 8.056 1.00 0.00 C ATOM 115 O VAL A 15 3.143 -0.910 9.115 1.00 0.00 O ATOM 116 CB VAL A 15 2.425 -3.469 7.487 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.937 -3.414 7.772 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.703 -4.486 6.414 1.00 0.00 C ATOM 0 H VAL A 15 4.790 -2.382 7.931 1.00 0.00 H new ATOM 0 HA VAL A 15 2.598 -1.847 6.069 1.00 0.00 H new ATOM 0 HB VAL A 15 2.934 -3.761 8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.587 -4.403 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.747 -2.705 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.406 -3.095 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.314 -5.456 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.218 -4.179 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.778 -4.560 6.253 1.00 0.00 H new ATOM 128 N LEU A 16 1.486 -0.404 7.730 1.00 0.00 N ATOM 129 CA LEU A 16 0.880 0.434 8.653 1.00 0.00 C ATOM 130 C LEU A 16 -0.577 0.101 8.649 1.00 0.00 C ATOM 131 O LEU A 16 -1.291 0.425 7.718 1.00 0.00 O ATOM 132 CB LEU A 16 1.081 1.876 8.326 1.00 0.00 C ATOM 133 CG LEU A 16 0.614 2.822 9.395 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.660 2.991 10.481 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.221 4.111 8.792 1.00 0.00 C ATOM 0 H LEU A 16 1.047 -0.422 6.809 1.00 0.00 H new ATOM 0 HA LEU A 16 1.326 0.280 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.141 2.050 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.553 2.104 7.400 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.265 2.397 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.290 3.682 11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.866 2.025 10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.577 3.388 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.116 4.791 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.076 4.547 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.588 3.948 8.080 1.00 0.00 H new ATOM 147 N ILE A 17 -1.000 -0.552 9.648 1.00 0.00 N ATOM 148 CA ILE A 17 -2.346 -1.016 9.720 1.00 0.00 C ATOM 149 C ILE A 17 -3.124 -0.039 10.596 1.00 0.00 C ATOM 150 O ILE A 17 -2.663 0.357 11.652 1.00 0.00 O ATOM 151 CB ILE A 17 -2.308 -2.501 10.245 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.522 -3.346 9.890 1.00 0.00 C ATOM 153 CG2 ILE A 17 -1.964 -2.626 11.707 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.784 -2.969 10.593 1.00 0.00 C ATOM 0 H ILE A 17 -0.427 -0.791 10.457 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.860 -1.042 8.759 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.478 -2.926 9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.690 -3.280 8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.297 -4.389 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.958 -3.678 11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.979 -2.196 11.887 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.706 -2.094 12.302 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.590 -3.629 10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.643 -3.064 11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.041 -1.938 10.351 1.00 0.00 H new ATOM 166 N ARG A 18 -4.231 0.438 10.084 1.00 0.00 N ATOM 167 CA ARG A 18 -5.030 1.420 10.785 1.00 0.00 C ATOM 168 C ARG A 18 -6.136 0.750 11.554 1.00 0.00 C ATOM 169 O ARG A 18 -7.002 0.099 10.978 1.00 0.00 O ATOM 170 CB ARG A 18 -5.620 2.489 9.833 1.00 0.00 C ATOM 171 CG ARG A 18 -4.631 3.533 9.292 1.00 0.00 C ATOM 172 CD ARG A 18 -3.593 2.950 8.347 1.00 0.00 C ATOM 173 NE ARG A 18 -4.188 2.394 7.118 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.516 2.178 5.978 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.225 2.496 5.889 1.00 0.00 N ATOM 176 NH2 ARG A 18 -4.144 1.648 4.939 1.00 0.00 N ATOM 0 H ARG A 18 -4.604 0.161 9.176 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.364 1.932 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.077 1.978 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.418 3.013 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.187 4.314 8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.122 4.008 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.876 3.726 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.038 2.167 8.863 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.180 2.157 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.744 2.905 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.718 2.330 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.133 1.407 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.639 1.481 4.069 1.00 0.00 H new ATOM 190 N ARG A 19 -6.092 0.885 12.838 1.00 0.00 N ATOM 191 CA ARG A 19 -7.084 0.307 13.693 1.00 0.00 C ATOM 192 C ARG A 19 -7.805 1.408 14.481 1.00 0.00 C ATOM 193 O ARG A 19 -7.173 2.123 15.230 1.00 0.00 O ATOM 194 CB ARG A 19 -6.403 -0.682 14.628 1.00 0.00 C ATOM 195 CG ARG A 19 -7.333 -1.360 15.591 1.00 0.00 C ATOM 196 CD ARG A 19 -6.621 -2.456 16.350 1.00 0.00 C ATOM 197 NE ARG A 19 -7.555 -3.231 17.132 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.261 -3.974 18.184 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.084 -3.896 18.734 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.167 -4.801 18.692 1.00 0.00 N ATOM 0 H ARG A 19 -5.363 1.402 13.330 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.832 -0.219 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.900 -1.442 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.632 -0.158 15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.733 -0.628 16.292 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.181 -1.779 15.049 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.098 -3.108 15.650 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.867 -2.020 17.005 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.533 -3.202 16.845 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.384 -3.259 18.353 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.861 -4.472 19.546 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.093 -4.864 18.270 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.937 -5.373 19.504 1.00 0.00 H new ATOM 214 N PRO A 20 -9.114 1.605 14.278 1.00 0.00 N ATOM 215 CA PRO A 20 -9.882 2.639 15.004 1.00 0.00 C ATOM 216 C PRO A 20 -9.917 2.405 16.525 1.00 0.00 C ATOM 217 O PRO A 20 -9.634 3.312 17.312 1.00 0.00 O ATOM 218 CB PRO A 20 -11.293 2.507 14.425 1.00 0.00 C ATOM 219 CG PRO A 20 -11.097 1.853 13.104 1.00 0.00 C ATOM 220 CD PRO A 20 -9.950 0.903 13.292 1.00 0.00 C ATOM 0 HA PRO A 20 -9.435 3.625 14.879 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.933 1.908 15.073 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.770 3.481 14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.997 1.324 12.791 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.874 2.589 12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.283 -0.068 13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.414 0.724 12.360 1.00 0.00 H new ATOM 228 N ASP A 21 -10.241 1.189 16.925 1.00 0.00 N ATOM 229 CA ASP A 21 -10.366 0.833 18.333 1.00 0.00 C ATOM 230 C ASP A 21 -10.249 -0.670 18.497 1.00 0.00 C ATOM 231 O ASP A 21 -10.032 -1.390 17.511 1.00 0.00 O ATOM 232 CB ASP A 21 -11.686 1.340 18.956 1.00 0.00 C ATOM 233 CG ASP A 21 -12.936 0.768 18.321 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.232 -0.417 18.513 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.668 1.521 17.658 1.00 0.00 O ATOM 0 H ASP A 21 -10.426 0.417 16.285 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.553 1.325 18.867 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.689 1.097 20.019 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.717 2.427 18.877 1.00 0.00 H new ATOM 240 N LEU A 22 -10.435 -1.141 19.718 1.00 0.00 N ATOM 241 CA LEU A 22 -10.228 -2.541 20.081 1.00 0.00 C ATOM 242 C LEU A 22 -11.258 -3.506 19.544 1.00 0.00 C ATOM 243 O LEU A 22 -11.016 -4.708 19.502 1.00 0.00 O ATOM 244 CB LEU A 22 -10.092 -2.683 21.580 1.00 0.00 C ATOM 245 CG LEU A 22 -8.878 -2.001 22.171 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.756 -2.314 23.632 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.648 -2.419 21.411 1.00 0.00 C ATOM 0 H LEU A 22 -10.738 -0.558 20.498 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.298 -2.827 19.590 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.986 -2.277 22.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.054 -3.743 21.829 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.989 -0.920 22.080 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.877 -1.814 24.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.646 -1.964 24.155 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.656 -3.391 23.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.773 -1.928 21.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.527 -3.500 21.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.752 -2.132 20.365 1.00 0.00 H new ATOM 259 N ARG A 23 -12.369 -2.998 19.103 1.00 0.00 N ATOM 260 CA ARG A 23 -13.441 -3.842 18.581 1.00 0.00 C ATOM 261 C ARG A 23 -13.133 -4.232 17.139 1.00 0.00 C ATOM 262 O ARG A 23 -13.792 -5.091 16.550 1.00 0.00 O ATOM 263 CB ARG A 23 -14.822 -3.156 18.660 1.00 0.00 C ATOM 264 CG ARG A 23 -15.398 -2.880 20.068 1.00 0.00 C ATOM 265 CD ARG A 23 -14.516 -1.964 20.906 1.00 0.00 C ATOM 266 NE ARG A 23 -15.200 -1.411 22.082 1.00 0.00 N ATOM 267 CZ ARG A 23 -14.664 -1.341 23.322 1.00 0.00 C ATOM 268 NH1 ARG A 23 -13.634 -2.108 23.652 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.225 -0.575 24.243 1.00 0.00 N ATOM 0 H ARG A 23 -12.573 -1.999 19.088 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.489 -4.734 19.206 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.757 -2.206 18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.537 -3.775 18.118 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.386 -2.431 19.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.530 -3.827 20.592 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.637 -2.519 21.234 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.161 -1.144 20.282 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.147 -1.054 21.955 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.241 -2.756 22.969 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.235 -2.050 24.589 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.062 -0.037 24.018 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.821 -0.522 25.178 1.00 0.00 H new ATOM 283 N TYR A 24 -12.147 -3.571 16.568 1.00 0.00 N ATOM 284 CA TYR A 24 -11.723 -3.856 15.223 1.00 0.00 C ATOM 285 C TYR A 24 -10.575 -4.803 15.265 1.00 0.00 C ATOM 286 O TYR A 24 -9.536 -4.471 15.807 1.00 0.00 O ATOM 287 CB TYR A 24 -11.288 -2.586 14.489 1.00 0.00 C ATOM 288 CG TYR A 24 -12.408 -1.684 14.067 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.071 -0.877 14.974 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.790 -1.626 12.738 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.087 -0.043 14.567 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.802 -0.796 12.322 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.446 -0.007 13.239 1.00 0.00 C ATOM 294 OH TYR A 24 -15.465 0.820 12.829 1.00 0.00 O ATOM 0 H TYR A 24 -11.622 -2.825 17.025 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.567 -4.291 14.687 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.613 -2.024 15.135 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.719 -2.872 13.604 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.787 -0.902 16.016 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.282 -2.246 12.014 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.600 0.580 15.285 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.088 -0.765 11.281 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.592 0.727 11.862 1.00 0.00 H new ATOM 304 N GLN A 25 -10.757 -5.974 14.734 1.00 0.00 N ATOM 305 CA GLN A 25 -9.684 -6.925 14.681 1.00 0.00 C ATOM 306 C GLN A 25 -8.838 -6.734 13.461 1.00 0.00 C ATOM 307 O GLN A 25 -9.330 -6.299 12.408 1.00 0.00 O ATOM 308 CB GLN A 25 -10.164 -8.355 14.831 1.00 0.00 C ATOM 309 CG GLN A 25 -10.510 -8.712 16.259 1.00 0.00 C ATOM 310 CD GLN A 25 -9.306 -8.601 17.185 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.050 -7.557 17.779 1.00 0.00 O ATOM 312 NE2 GLN A 25 -8.537 -9.655 17.273 1.00 0.00 N ATOM 0 H GLN A 25 -11.637 -6.296 14.331 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.049 -6.730 15.545 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.041 -8.507 14.201 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.390 -9.033 14.469 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.302 -8.054 16.615 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.901 -9.729 16.294 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.779 -10.507 16.766 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.695 -9.626 17.848 1.00 0.00 H new ATOM 321 N LEU A 26 -7.575 -7.082 13.618 1.00 0.00 N ATOM 322 CA LEU A 26 -6.522 -6.854 12.637 1.00 0.00 C ATOM 323 C LEU A 26 -6.907 -7.415 11.277 1.00 0.00 C ATOM 324 O LEU A 26 -6.840 -6.722 10.264 1.00 0.00 O ATOM 325 CB LEU A 26 -5.177 -7.481 13.104 1.00 0.00 C ATOM 326 CG LEU A 26 -4.688 -7.198 14.561 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.927 -5.759 14.995 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.257 -8.198 15.578 1.00 0.00 C ATOM 0 H LEU A 26 -7.238 -7.548 14.461 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.393 -5.776 12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.256 -8.562 12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.398 -7.141 12.421 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.608 -7.343 14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.567 -5.622 16.015 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.391 -5.084 14.328 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.994 -5.539 14.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.886 -7.956 16.574 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.346 -8.142 15.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.944 -9.207 15.310 1.00 0.00 H new ATOM 340 N GLY A 27 -7.339 -8.648 11.261 1.00 0.00 N ATOM 341 CA GLY A 27 -7.753 -9.243 10.029 1.00 0.00 C ATOM 342 C GLY A 27 -6.702 -10.129 9.421 1.00 0.00 C ATOM 343 O GLY A 27 -6.533 -10.142 8.213 1.00 0.00 O ATOM 0 H GLY A 27 -7.411 -9.251 12.081 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.658 -9.827 10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.011 -8.456 9.320 1.00 0.00 H new ATOM 347 N PHE A 28 -5.985 -10.853 10.237 1.00 0.00 N ATOM 348 CA PHE A 28 -5.025 -11.823 9.752 1.00 0.00 C ATOM 349 C PHE A 28 -4.718 -12.791 10.867 1.00 0.00 C ATOM 350 O PHE A 28 -5.063 -12.529 12.026 1.00 0.00 O ATOM 351 CB PHE A 28 -3.710 -11.177 9.186 1.00 0.00 C ATOM 352 CG PHE A 28 -2.787 -10.537 10.205 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.956 -9.225 10.590 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.728 -11.256 10.751 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.104 -8.637 11.500 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.875 -10.676 11.665 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.061 -9.364 12.036 1.00 0.00 C ATOM 0 H PHE A 28 -6.045 -10.792 11.253 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.473 -12.344 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.152 -11.947 8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.988 -10.420 8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.768 -8.649 10.172 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.572 -12.283 10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.253 -7.608 11.793 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.064 -11.249 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.391 -8.903 12.747 1.00 0.00 H new ATOM 367 N SER A 29 -4.123 -13.883 10.523 1.00 0.00 N ATOM 368 CA SER A 29 -3.734 -14.888 11.464 1.00 0.00 C ATOM 369 C SER A 29 -2.239 -15.116 11.314 1.00 0.00 C ATOM 370 O SER A 29 -1.726 -15.305 10.182 1.00 0.00 O ATOM 371 CB SER A 29 -4.508 -16.184 11.198 1.00 0.00 C ATOM 372 OG SER A 29 -4.208 -17.209 12.155 1.00 0.00 O ATOM 0 H SER A 29 -3.886 -14.111 9.557 1.00 0.00 H new ATOM 0 HA SER A 29 -3.960 -14.568 12.481 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.578 -15.975 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.272 -16.545 10.197 1.00 0.00 H new ATOM 0 HG SER A 29 -4.726 -18.014 11.945 1.00 0.00 H new ATOM 378 N VAL A 30 -1.543 -15.089 12.413 1.00 0.00 N ATOM 379 CA VAL A 30 -0.128 -15.223 12.395 1.00 0.00 C ATOM 380 C VAL A 30 0.238 -16.523 13.123 1.00 0.00 C ATOM 381 O VAL A 30 -0.453 -16.929 14.058 1.00 0.00 O ATOM 382 CB VAL A 30 0.543 -13.969 13.086 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.708 -14.106 14.588 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.837 -13.575 12.432 1.00 0.00 C ATOM 0 H VAL A 30 -1.946 -14.973 13.343 1.00 0.00 H new ATOM 0 HA VAL A 30 0.241 -15.267 11.370 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.169 -13.158 12.932 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.175 -13.205 14.986 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.270 -14.243 15.050 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.337 -14.969 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.255 -12.709 12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.541 -14.405 12.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.655 -13.324 11.387 1.00 0.00 H new ATOM 394 N GLN A 31 1.239 -17.205 12.664 1.00 0.00 N ATOM 395 CA GLN A 31 1.737 -18.364 13.355 1.00 0.00 C ATOM 396 C GLN A 31 3.219 -18.229 13.481 1.00 0.00 C ATOM 397 O GLN A 31 3.891 -17.889 12.517 1.00 0.00 O ATOM 398 CB GLN A 31 1.348 -19.697 12.687 1.00 0.00 C ATOM 399 CG GLN A 31 1.886 -19.942 11.290 1.00 0.00 C ATOM 400 CD GLN A 31 1.405 -21.269 10.732 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.392 -21.341 10.048 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.068 -22.323 11.091 1.00 0.00 N ATOM 0 H GLN A 31 1.737 -16.980 11.803 1.00 0.00 H new ATOM 0 HA GLN A 31 1.270 -18.401 14.339 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.686 -20.511 13.329 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.260 -19.753 12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.570 -19.133 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.976 -19.929 11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.908 -22.227 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.750 -23.248 10.803 1.00 0.00 H new ATOM 411 N ASN A 32 3.712 -18.393 14.694 1.00 0.00 N ATOM 412 CA ASN A 32 5.151 -18.268 15.016 1.00 0.00 C ATOM 413 C ASN A 32 5.721 -16.845 14.665 1.00 0.00 C ATOM 414 O ASN A 32 6.922 -16.623 14.690 1.00 0.00 O ATOM 415 CB ASN A 32 5.927 -19.381 14.273 1.00 0.00 C ATOM 416 CG ASN A 32 7.374 -19.523 14.689 1.00 0.00 C ATOM 417 OD1 ASN A 32 7.738 -19.299 15.846 1.00 0.00 O ATOM 418 ND2 ASN A 32 8.202 -19.889 13.755 1.00 0.00 N ATOM 0 H ASN A 32 3.133 -18.619 15.502 1.00 0.00 H new ATOM 0 HA ASN A 32 5.278 -18.386 16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.420 -20.332 14.438 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.888 -19.181 13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.193 -20.001 13.967 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.860 -20.065 12.810 1.00 0.00 H new ATOM 425 N GLY A 33 4.835 -15.884 14.374 1.00 0.00 N ATOM 426 CA GLY A 33 5.283 -14.555 13.987 1.00 0.00 C ATOM 427 C GLY A 33 5.221 -14.358 12.477 1.00 0.00 C ATOM 428 O GLY A 33 5.603 -13.310 11.955 1.00 0.00 O ATOM 0 H GLY A 33 3.823 -16.005 14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.663 -13.805 14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.305 -14.400 14.333 1.00 0.00 H new ATOM 432 N ILE A 34 4.712 -15.364 11.781 1.00 0.00 N ATOM 433 CA ILE A 34 4.596 -15.341 10.328 1.00 0.00 C ATOM 434 C ILE A 34 3.121 -15.437 9.935 1.00 0.00 C ATOM 435 O ILE A 34 2.403 -16.330 10.385 1.00 0.00 O ATOM 436 CB ILE A 34 5.421 -16.487 9.601 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.954 -16.362 9.812 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.126 -16.483 8.109 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.473 -16.691 11.202 1.00 0.00 C ATOM 0 H ILE A 34 4.366 -16.223 12.209 1.00 0.00 H new ATOM 0 HA ILE A 34 5.027 -14.397 9.995 1.00 0.00 H new ATOM 0 HB ILE A 34 5.101 -17.426 10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.452 -17.017 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.250 -15.342 9.569 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.698 -17.273 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.062 -16.654 7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.407 -15.519 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.556 -16.567 11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.016 -16.020 11.929 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.220 -17.722 11.450 1.00 0.00 H new ATOM 451 N ILE A 35 2.680 -14.482 9.160 1.00 0.00 N ATOM 452 CA ILE A 35 1.307 -14.392 8.684 1.00 0.00 C ATOM 453 C ILE A 35 0.983 -15.559 7.767 1.00 0.00 C ATOM 454 O ILE A 35 1.648 -15.753 6.739 1.00 0.00 O ATOM 455 CB ILE A 35 1.129 -13.080 7.921 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.499 -11.926 8.850 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.321 -12.940 7.412 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.800 -10.658 8.135 1.00 0.00 C ATOM 0 H ILE A 35 3.273 -13.721 8.829 1.00 0.00 H new ATOM 0 HA ILE A 35 0.631 -14.423 9.539 1.00 0.00 H new ATOM 0 HB ILE A 35 1.781 -13.066 7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.678 -11.754 9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.367 -12.213 9.444 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.428 -12.000 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.554 -13.770 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.007 -12.951 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.054 -9.884 8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.641 -10.812 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.926 -10.347 7.563 1.00 0.00 H new ATOM 470 N CYS A 36 -0.020 -16.321 8.125 1.00 0.00 N ATOM 471 CA CYS A 36 -0.373 -17.491 7.364 1.00 0.00 C ATOM 472 C CYS A 36 -1.696 -17.280 6.629 1.00 0.00 C ATOM 473 O CYS A 36 -1.947 -17.899 5.600 1.00 0.00 O ATOM 474 CB CYS A 36 -0.439 -18.706 8.278 1.00 0.00 C ATOM 475 SG CYS A 36 -0.585 -20.297 7.433 1.00 0.00 S ATOM 0 H CYS A 36 -0.607 -16.151 8.941 1.00 0.00 H new ATOM 0 HA CYS A 36 0.397 -17.668 6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.457 -18.723 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.290 -18.590 8.950 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.266 -21.254 8.253 1.00 0.00 H new ATOM 481 N SER A 37 -2.535 -16.417 7.146 1.00 0.00 N ATOM 482 CA SER A 37 -3.781 -16.109 6.493 1.00 0.00 C ATOM 483 C SER A 37 -4.157 -14.657 6.721 1.00 0.00 C ATOM 484 O SER A 37 -3.860 -14.091 7.778 1.00 0.00 O ATOM 485 CB SER A 37 -4.884 -17.073 6.940 1.00 0.00 C ATOM 486 OG SER A 37 -4.912 -17.204 8.345 1.00 0.00 O ATOM 0 H SER A 37 -2.376 -15.915 8.019 1.00 0.00 H new ATOM 0 HA SER A 37 -3.658 -16.245 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.850 -16.712 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.723 -18.050 6.485 1.00 0.00 H new ATOM 0 HG SER A 37 -4.222 -17.840 8.628 1.00 0.00 H new ATOM 492 N LEU A 38 -4.750 -14.062 5.725 1.00 0.00 N ATOM 493 CA LEU A 38 -5.143 -12.672 5.739 1.00 0.00 C ATOM 494 C LEU A 38 -6.619 -12.553 5.409 1.00 0.00 C ATOM 495 O LEU A 38 -7.094 -13.177 4.457 1.00 0.00 O ATOM 496 CB LEU A 38 -4.300 -11.900 4.709 1.00 0.00 C ATOM 497 CG LEU A 38 -4.671 -10.437 4.447 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.570 -9.616 5.698 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.771 -9.856 3.401 1.00 0.00 C ATOM 0 H LEU A 38 -4.982 -14.540 4.854 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.974 -12.250 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.260 -11.930 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.353 -12.436 3.761 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.704 -10.415 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.840 -8.583 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.249 -10.016 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.548 -9.652 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.044 -8.816 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.737 -9.907 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.876 -10.422 2.475 1.00 0.00 H new ATOM 511 N MET A 39 -7.333 -11.765 6.176 1.00 0.00 N ATOM 512 CA MET A 39 -8.744 -11.560 5.955 1.00 0.00 C ATOM 513 C MET A 39 -8.950 -10.651 4.766 1.00 0.00 C ATOM 514 O MET A 39 -8.491 -9.496 4.752 1.00 0.00 O ATOM 515 CB MET A 39 -9.425 -10.976 7.198 1.00 0.00 C ATOM 516 CG MET A 39 -10.914 -10.682 7.029 1.00 0.00 C ATOM 517 SD MET A 39 -11.656 -9.934 8.502 1.00 0.00 S ATOM 518 CE MET A 39 -11.433 -11.234 9.717 1.00 0.00 C ATOM 0 H MET A 39 -6.953 -11.249 6.969 1.00 0.00 H new ATOM 0 HA MET A 39 -9.202 -12.528 5.751 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.298 -11.672 8.027 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.915 -10.053 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.053 -10.014 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.438 -11.609 6.795 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.051 -11.026 10.590 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.727 -12.190 9.285 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.386 -11.277 10.015 1.00 0.00 H new ATOM 528 N ARG A 40 -9.612 -11.176 3.787 1.00 0.00 N ATOM 529 CA ARG A 40 -9.916 -10.466 2.578 1.00 0.00 C ATOM 530 C ARG A 40 -10.894 -9.335 2.910 1.00 0.00 C ATOM 531 O ARG A 40 -11.970 -9.584 3.468 1.00 0.00 O ATOM 532 CB ARG A 40 -10.548 -11.445 1.587 1.00 0.00 C ATOM 533 CG ARG A 40 -10.890 -10.872 0.221 1.00 0.00 C ATOM 534 CD ARG A 40 -9.651 -10.473 -0.553 1.00 0.00 C ATOM 535 NE ARG A 40 -8.793 -11.614 -0.894 1.00 0.00 N ATOM 536 CZ ARG A 40 -7.785 -11.580 -1.785 1.00 0.00 C ATOM 537 NH1 ARG A 40 -7.499 -10.444 -2.431 1.00 0.00 N ATOM 538 NH2 ARG A 40 -7.056 -12.679 -2.013 1.00 0.00 N ATOM 0 H ARG A 40 -9.967 -12.132 3.802 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.015 -10.041 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.866 -12.284 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.459 -11.845 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.453 -11.610 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.536 -10.003 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.950 -9.965 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.077 -9.757 0.036 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.974 -12.499 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.045 -9.602 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.735 -10.420 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.264 -13.542 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.292 -12.653 -2.688 1.00 0.00 H new ATOM 552 N GLY A 41 -10.512 -8.117 2.606 1.00 0.00 N ATOM 553 CA GLY A 41 -11.347 -6.979 2.914 1.00 0.00 C ATOM 554 C GLY A 41 -11.093 -6.450 4.312 1.00 0.00 C ATOM 555 O GLY A 41 -11.738 -5.493 4.750 1.00 0.00 O ATOM 0 H GLY A 41 -9.630 -7.888 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.163 -6.187 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.395 -7.262 2.818 1.00 0.00 H new ATOM 559 N GLY A 42 -10.149 -7.058 5.006 1.00 0.00 N ATOM 560 CA GLY A 42 -9.839 -6.645 6.357 1.00 0.00 C ATOM 561 C GLY A 42 -8.838 -5.510 6.395 1.00 0.00 C ATOM 562 O GLY A 42 -8.154 -5.236 5.383 1.00 0.00 O ATOM 0 H GLY A 42 -9.588 -7.835 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.755 -6.335 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.443 -7.495 6.913 1.00 0.00 H new ATOM 566 N ILE A 43 -8.716 -4.866 7.557 1.00 0.00 N ATOM 567 CA ILE A 43 -7.782 -3.744 7.739 1.00 0.00 C ATOM 568 C ILE A 43 -6.350 -4.134 7.534 1.00 0.00 C ATOM 569 O ILE A 43 -5.552 -3.318 7.093 1.00 0.00 O ATOM 570 CB ILE A 43 -7.930 -2.960 9.070 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.483 -3.828 10.219 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.698 -1.677 8.872 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.567 -3.117 11.561 1.00 0.00 C ATOM 0 H ILE A 43 -9.253 -5.101 8.392 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.081 -3.057 6.947 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.926 -2.678 9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.478 -4.180 9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.852 -4.710 10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.783 -1.153 9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.173 -1.045 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.694 -1.904 8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.966 -3.800 12.311 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.572 -2.789 11.862 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.223 -2.251 11.474 1.00 0.00 H new ATOM 585 N ALA A 44 -6.020 -5.366 7.843 1.00 0.00 N ATOM 586 CA ALA A 44 -4.688 -5.866 7.619 1.00 0.00 C ATOM 587 C ALA A 44 -4.351 -5.824 6.134 1.00 0.00 C ATOM 588 O ALA A 44 -3.292 -5.337 5.739 1.00 0.00 O ATOM 589 CB ALA A 44 -4.557 -7.263 8.174 1.00 0.00 C ATOM 0 H ALA A 44 -6.663 -6.044 8.253 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.975 -5.229 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.546 -7.631 7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.758 -7.249 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.273 -7.920 7.679 1.00 0.00 H new ATOM 595 N GLU A 45 -5.283 -6.270 5.312 1.00 0.00 N ATOM 596 CA GLU A 45 -5.090 -6.258 3.880 1.00 0.00 C ATOM 597 C GLU A 45 -4.985 -4.824 3.387 1.00 0.00 C ATOM 598 O GLU A 45 -4.115 -4.500 2.576 1.00 0.00 O ATOM 599 CB GLU A 45 -6.222 -6.982 3.175 1.00 0.00 C ATOM 600 CG GLU A 45 -6.101 -6.955 1.671 1.00 0.00 C ATOM 601 CD GLU A 45 -7.236 -7.624 0.994 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.382 -7.216 1.210 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.005 -8.557 0.208 1.00 0.00 O ATOM 0 H GLU A 45 -6.182 -6.645 5.616 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.163 -6.782 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.247 -8.018 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.170 -6.529 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.041 -5.920 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.170 -7.440 1.377 1.00 0.00 H new ATOM 610 N ARG A 46 -5.847 -3.972 3.926 1.00 0.00 N ATOM 611 CA ARG A 46 -5.860 -2.553 3.585 1.00 0.00 C ATOM 612 C ARG A 46 -4.514 -1.917 3.963 1.00 0.00 C ATOM 613 O ARG A 46 -3.978 -1.098 3.236 1.00 0.00 O ATOM 614 CB ARG A 46 -6.971 -1.807 4.350 1.00 0.00 C ATOM 615 CG ARG A 46 -8.410 -2.332 4.206 1.00 0.00 C ATOM 616 CD ARG A 46 -8.921 -2.339 2.768 1.00 0.00 C ATOM 617 NE ARG A 46 -8.607 -3.581 2.020 1.00 0.00 N ATOM 618 CZ ARG A 46 -8.565 -3.648 0.678 1.00 0.00 C ATOM 619 NH1 ARG A 46 -8.368 -2.546 -0.030 1.00 0.00 N ATOM 620 NH2 ARG A 46 -8.612 -4.822 0.060 1.00 0.00 N ATOM 0 H ARG A 46 -6.555 -4.242 4.609 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.041 -2.471 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.714 -1.816 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.959 -0.766 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.459 -3.345 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.074 -1.718 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.002 -2.196 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.492 -1.489 2.237 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.413 -4.429 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.249 -1.650 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.336 -2.593 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.681 -5.682 0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.580 -4.864 -0.959 1.00 0.00 H new ATOM 634 N GLY A 47 -3.984 -2.334 5.105 1.00 0.00 N ATOM 635 CA GLY A 47 -2.736 -1.813 5.634 1.00 0.00 C ATOM 636 C GLY A 47 -1.499 -2.292 4.883 1.00 0.00 C ATOM 637 O GLY A 47 -0.424 -1.706 5.026 1.00 0.00 O ATOM 0 H GLY A 47 -4.413 -3.049 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.767 -0.724 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.648 -2.102 6.681 1.00 0.00 H new ATOM 641 N GLY A 48 -1.635 -3.354 4.098 1.00 0.00 N ATOM 642 CA GLY A 48 -0.505 -3.823 3.320 1.00 0.00 C ATOM 643 C GLY A 48 0.074 -5.118 3.840 1.00 0.00 C ATOM 644 O GLY A 48 1.166 -5.537 3.424 1.00 0.00 O ATOM 0 H GLY A 48 -2.494 -3.892 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.816 -3.961 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.272 -3.058 3.320 1.00 0.00 H new ATOM 648 N VAL A 49 -0.647 -5.760 4.737 1.00 0.00 N ATOM 649 CA VAL A 49 -0.237 -7.024 5.298 1.00 0.00 C ATOM 650 C VAL A 49 -0.412 -8.102 4.221 1.00 0.00 C ATOM 651 O VAL A 49 -1.334 -8.010 3.410 1.00 0.00 O ATOM 652 CB VAL A 49 -1.123 -7.356 6.539 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.845 -8.724 7.106 1.00 0.00 C ATOM 654 CG2 VAL A 49 -0.957 -6.313 7.626 1.00 0.00 C ATOM 0 H VAL A 49 -1.537 -5.415 5.096 1.00 0.00 H new ATOM 0 HA VAL A 49 0.804 -6.982 5.617 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.153 -7.348 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.490 -8.899 7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.041 -9.480 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.198 -8.784 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.587 -6.571 8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.086 -6.280 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.250 -5.336 7.241 1.00 0.00 H new ATOM 664 N ARG A 50 0.501 -9.064 4.169 1.00 0.00 N ATOM 665 CA ARG A 50 0.425 -10.183 3.229 1.00 0.00 C ATOM 666 C ARG A 50 0.871 -11.437 3.918 1.00 0.00 C ATOM 667 O ARG A 50 1.654 -11.398 4.875 1.00 0.00 O ATOM 668 CB ARG A 50 1.301 -9.988 1.972 1.00 0.00 C ATOM 669 CG ARG A 50 0.943 -8.817 1.064 1.00 0.00 C ATOM 670 CD ARG A 50 -0.489 -8.878 0.511 1.00 0.00 C ATOM 671 NE ARG A 50 -0.774 -10.113 -0.238 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.082 -10.182 -1.544 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.073 -9.090 -2.303 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.409 -11.356 -2.082 1.00 0.00 N ATOM 0 H ARG A 50 1.319 -9.093 4.778 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.613 -10.244 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.335 -9.866 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.257 -10.903 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.069 -7.887 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.644 -8.788 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.194 -8.792 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.656 -8.020 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.734 -10.991 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.830 -8.187 -1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.309 -9.155 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.425 -12.196 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.644 -11.415 -3.073 1.00 0.00 H new ATOM 688 N VAL A 51 0.393 -12.515 3.410 1.00 0.00 N ATOM 689 CA VAL A 51 0.675 -13.839 3.899 1.00 0.00 C ATOM 690 C VAL A 51 2.069 -14.266 3.456 1.00 0.00 C ATOM 691 O VAL A 51 2.511 -13.929 2.343 1.00 0.00 O ATOM 692 CB VAL A 51 -0.398 -14.801 3.360 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.034 -16.264 3.556 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.722 -14.514 4.018 1.00 0.00 C ATOM 0 H VAL A 51 -0.235 -12.511 2.606 1.00 0.00 H new ATOM 0 HA VAL A 51 0.651 -13.855 4.989 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.466 -14.629 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.829 -16.893 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.898 -16.480 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.091 -16.469 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.477 -15.199 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.629 -14.647 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.020 -13.488 3.804 1.00 0.00 H new ATOM 704 N GLY A 52 2.768 -14.969 4.328 1.00 0.00 N ATOM 705 CA GLY A 52 4.115 -15.385 4.031 1.00 0.00 C ATOM 706 C GLY A 52 5.092 -14.353 4.513 1.00 0.00 C ATOM 707 O GLY A 52 6.254 -14.344 4.131 1.00 0.00 O ATOM 0 H GLY A 52 2.422 -15.260 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.321 -16.343 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.230 -15.532 2.957 1.00 0.00 H new ATOM 711 N HIS A 53 4.605 -13.454 5.329 1.00 0.00 N ATOM 712 CA HIS A 53 5.422 -12.414 5.877 1.00 0.00 C ATOM 713 C HIS A 53 5.659 -12.619 7.341 1.00 0.00 C ATOM 714 O HIS A 53 4.747 -12.945 8.091 1.00 0.00 O ATOM 715 CB HIS A 53 4.841 -11.017 5.627 1.00 0.00 C ATOM 716 CG HIS A 53 5.192 -10.413 4.299 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.447 -9.066 4.125 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.327 -10.969 3.085 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.720 -8.836 2.862 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.655 -9.974 2.211 1.00 0.00 N ATOM 0 H HIS A 53 3.631 -13.426 5.629 1.00 0.00 H new ATOM 0 HA HIS A 53 6.377 -12.471 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.755 -11.071 5.709 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.187 -10.349 6.416 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.426 -8.361 4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.199 -12.014 2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.958 -7.874 2.432 1.00 0.00 H new ATOM 729 N ARG A 54 6.886 -12.434 7.731 1.00 0.00 N ATOM 730 CA ARG A 54 7.289 -12.522 9.108 1.00 0.00 C ATOM 731 C ARG A 54 7.273 -11.138 9.661 1.00 0.00 C ATOM 732 O ARG A 54 7.925 -10.242 9.099 1.00 0.00 O ATOM 733 CB ARG A 54 8.705 -13.098 9.218 1.00 0.00 C ATOM 734 CG ARG A 54 9.262 -13.136 10.640 1.00 0.00 C ATOM 735 CD ARG A 54 10.670 -13.705 10.664 1.00 0.00 C ATOM 736 NE ARG A 54 11.608 -12.921 9.837 1.00 0.00 N ATOM 737 CZ ARG A 54 12.502 -13.456 8.978 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.599 -14.775 8.830 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.304 -12.664 8.270 1.00 0.00 N ATOM 0 H ARG A 54 7.650 -12.214 7.092 1.00 0.00 H new ATOM 0 HA ARG A 54 6.614 -13.177 9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.705 -14.110 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.375 -12.506 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.267 -12.130 11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.612 -13.741 11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.031 -13.731 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.649 -14.735 10.307 1.00 0.00 H new ATOM 0 HE ARG A 54 11.579 -11.905 9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.994 -15.395 9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.279 -15.166 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.244 -11.651 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.979 -13.070 7.622 1.00 0.00 H new ATOM 753 N ILE A 55 6.531 -10.933 10.694 1.00 0.00 N ATOM 754 CA ILE A 55 6.467 -9.638 11.298 1.00 0.00 C ATOM 755 C ILE A 55 7.637 -9.458 12.231 1.00 0.00 C ATOM 756 O ILE A 55 7.846 -10.258 13.148 1.00 0.00 O ATOM 757 CB ILE A 55 5.182 -9.426 12.087 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.969 -9.700 11.225 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.134 -7.998 12.612 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.699 -9.456 11.958 1.00 0.00 C ATOM 0 H ILE A 55 5.956 -11.646 11.143 1.00 0.00 H new ATOM 0 HA ILE A 55 6.493 -8.907 10.490 1.00 0.00 H new ATOM 0 HB ILE A 55 5.170 -10.123 12.925 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.004 -9.067 10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.996 -10.733 10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.214 -7.849 13.176 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.991 -7.820 13.262 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.163 -7.301 11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.854 -9.665 11.302 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.651 -10.108 12.830 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.659 -8.416 12.281 1.00 0.00 H new ATOM 772 N ILE A 56 8.409 -8.438 11.990 1.00 0.00 N ATOM 773 CA ILE A 56 9.525 -8.154 12.819 1.00 0.00 C ATOM 774 C ILE A 56 9.263 -6.998 13.767 1.00 0.00 C ATOM 775 O ILE A 56 9.959 -6.848 14.759 1.00 0.00 O ATOM 776 CB ILE A 56 10.832 -7.942 12.038 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.785 -6.667 11.228 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.099 -9.140 11.123 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.087 -6.345 10.598 1.00 0.00 C ATOM 0 H ILE A 56 8.277 -7.788 11.215 1.00 0.00 H new ATOM 0 HA ILE A 56 9.665 -9.053 13.420 1.00 0.00 H new ATOM 0 HB ILE A 56 11.646 -7.854 12.758 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.024 -6.761 10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.483 -5.842 11.873 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.027 -8.979 10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.185 -10.045 11.724 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.275 -9.250 10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.997 -5.420 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.845 -6.222 11.372 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.378 -7.155 9.930 1.00 0.00 H new ATOM 791 N GLU A 57 8.216 -6.232 13.511 1.00 0.00 N ATOM 792 CA GLU A 57 7.933 -5.050 14.334 1.00 0.00 C ATOM 793 C GLU A 57 6.476 -4.795 14.344 1.00 0.00 C ATOM 794 O GLU A 57 5.816 -5.002 13.339 1.00 0.00 O ATOM 795 CB GLU A 57 8.666 -3.788 13.819 1.00 0.00 C ATOM 796 CG GLU A 57 8.360 -2.510 14.619 1.00 0.00 C ATOM 797 CD GLU A 57 8.916 -1.234 14.000 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.125 -0.963 14.147 1.00 0.00 O ATOM 799 OE2 GLU A 57 8.134 -0.457 13.385 1.00 0.00 O ATOM 0 H GLU A 57 7.552 -6.396 12.754 1.00 0.00 H new ATOM 0 HA GLU A 57 8.295 -5.257 15.341 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.740 -3.970 13.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.394 -3.624 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.279 -2.409 14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.766 -2.619 15.625 1.00 0.00 H new ATOM 806 N ILE A 58 5.985 -4.388 15.484 1.00 0.00 N ATOM 807 CA ILE A 58 4.618 -4.017 15.667 1.00 0.00 C ATOM 808 C ILE A 58 4.572 -2.855 16.623 1.00 0.00 C ATOM 809 O ILE A 58 5.139 -2.930 17.715 1.00 0.00 O ATOM 810 CB ILE A 58 3.778 -5.141 16.284 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.778 -6.374 15.410 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.350 -4.653 16.479 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.307 -7.600 16.120 1.00 0.00 C ATOM 0 H ILE A 58 6.546 -4.305 16.332 1.00 0.00 H new ATOM 0 HA ILE A 58 4.209 -3.778 14.685 1.00 0.00 H new ATOM 0 HB ILE A 58 4.218 -5.409 17.245 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.141 -6.197 14.543 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.787 -6.545 15.034 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.750 -5.450 16.918 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.348 -3.789 17.144 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.928 -4.369 15.515 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.332 -8.448 15.436 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.958 -7.801 16.971 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.287 -7.447 16.472 1.00 0.00 H new ATOM 825 N ASN A 59 4.001 -1.770 16.167 1.00 0.00 N ATOM 826 CA ASN A 59 3.682 -0.589 16.980 1.00 0.00 C ATOM 827 C ASN A 59 4.966 0.105 17.469 1.00 0.00 C ATOM 828 O ASN A 59 4.953 0.906 18.395 1.00 0.00 O ATOM 829 CB ASN A 59 2.740 -0.990 18.156 1.00 0.00 C ATOM 830 CG ASN A 59 1.987 0.184 18.776 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.437 0.815 19.725 1.00 0.00 O ATOM 832 ND2 ASN A 59 0.827 0.475 18.246 1.00 0.00 N ATOM 0 H ASN A 59 3.730 -1.665 15.189 1.00 0.00 H new ATOM 0 HA ASN A 59 3.151 0.136 16.364 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.017 -1.722 17.796 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.331 -1.479 18.930 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.273 1.244 18.622 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.477 -0.067 17.456 1.00 0.00 H new ATOM 839 N GLY A 60 6.068 -0.196 16.810 1.00 0.00 N ATOM 840 CA GLY A 60 7.311 0.434 17.151 1.00 0.00 C ATOM 841 C GLY A 60 8.311 -0.500 17.791 1.00 0.00 C ATOM 842 O GLY A 60 9.489 -0.153 17.911 1.00 0.00 O ATOM 0 H GLY A 60 6.120 -0.867 16.044 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.751 0.860 16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.113 1.262 17.832 1.00 0.00 H new ATOM 846 N GLN A 61 7.880 -1.683 18.188 1.00 0.00 N ATOM 847 CA GLN A 61 8.778 -2.609 18.844 1.00 0.00 C ATOM 848 C GLN A 61 8.995 -3.863 18.049 1.00 0.00 C ATOM 849 O GLN A 61 8.080 -4.352 17.380 1.00 0.00 O ATOM 850 CB GLN A 61 8.385 -2.881 20.307 1.00 0.00 C ATOM 851 CG GLN A 61 6.981 -3.414 20.532 1.00 0.00 C ATOM 852 CD GLN A 61 6.663 -3.570 22.014 1.00 0.00 C ATOM 853 OE1 GLN A 61 7.172 -2.826 22.858 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.827 -4.514 22.344 1.00 0.00 N ATOM 0 H GLN A 61 6.925 -2.021 18.069 1.00 0.00 H new ATOM 0 HA GLN A 61 9.748 -2.115 18.887 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.094 -3.595 20.726 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.495 -1.954 20.870 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.258 -2.738 20.075 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.875 -4.378 20.034 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.423 -5.112 21.623 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.577 -4.654 23.323 1.00 0.00 H new ATOM 863 N SER A 62 10.211 -4.356 18.104 1.00 0.00 N ATOM 864 CA SER A 62 10.606 -5.526 17.386 1.00 0.00 C ATOM 865 C SER A 62 10.054 -6.749 18.084 1.00 0.00 C ATOM 866 O SER A 62 10.503 -7.133 19.157 1.00 0.00 O ATOM 867 CB SER A 62 12.132 -5.587 17.273 1.00 0.00 C ATOM 868 OG SER A 62 12.631 -4.421 16.617 1.00 0.00 O ATOM 0 H SER A 62 10.959 -3.942 18.660 1.00 0.00 H new ATOM 0 HA SER A 62 10.202 -5.493 16.374 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.573 -5.670 18.266 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.426 -6.478 16.718 1.00 0.00 H new ATOM 0 HG SER A 62 13.608 -4.474 16.554 1.00 0.00 H new ATOM 874 N VAL A 63 9.085 -7.363 17.468 1.00 0.00 N ATOM 875 CA VAL A 63 8.385 -8.455 18.046 1.00 0.00 C ATOM 876 C VAL A 63 8.887 -9.740 17.444 1.00 0.00 C ATOM 877 O VAL A 63 8.305 -10.807 17.606 1.00 0.00 O ATOM 878 CB VAL A 63 6.893 -8.288 17.776 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.424 -6.936 18.349 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.635 -8.372 16.276 1.00 0.00 C ATOM 0 H VAL A 63 8.760 -7.109 16.535 1.00 0.00 H new ATOM 0 HA VAL A 63 8.551 -8.482 19.123 1.00 0.00 H new ATOM 0 HB VAL A 63 6.329 -9.084 18.262 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.358 -6.811 18.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.606 -6.913 19.423 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.975 -6.127 17.870 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.569 -8.253 16.083 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.187 -7.582 15.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.965 -9.342 15.904 1.00 0.00 H new ATOM 890 N VAL A 64 10.012 -9.636 16.793 1.00 0.00 N ATOM 891 CA VAL A 64 10.601 -10.749 16.114 1.00 0.00 C ATOM 892 C VAL A 64 11.196 -11.747 17.124 1.00 0.00 C ATOM 893 O VAL A 64 11.422 -12.913 16.810 1.00 0.00 O ATOM 894 CB VAL A 64 11.650 -10.268 15.092 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.976 -9.918 15.723 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.772 -11.217 13.930 1.00 0.00 C ATOM 0 H VAL A 64 10.547 -8.770 16.720 1.00 0.00 H new ATOM 0 HA VAL A 64 9.823 -11.273 15.559 1.00 0.00 H new ATOM 0 HB VAL A 64 11.281 -9.327 14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.670 -9.587 14.951 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.833 -9.118 16.450 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.383 -10.796 16.225 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.521 -10.843 13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.073 -12.200 14.293 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.811 -11.296 13.423 1.00 0.00 H new ATOM 906 N ALA A 65 11.403 -11.272 18.338 1.00 0.00 N ATOM 907 CA ALA A 65 11.918 -12.086 19.414 1.00 0.00 C ATOM 908 C ALA A 65 10.856 -12.235 20.506 1.00 0.00 C ATOM 909 O ALA A 65 11.108 -12.765 21.599 1.00 0.00 O ATOM 910 CB ALA A 65 13.169 -11.446 19.961 1.00 0.00 C ATOM 0 H ALA A 65 11.216 -10.305 18.603 1.00 0.00 H new ATOM 0 HA ALA A 65 12.165 -13.081 19.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.564 -12.055 20.774 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.915 -11.370 19.170 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.934 -10.450 20.335 1.00 0.00 H new ATOM 916 N THR A 66 9.673 -11.788 20.189 1.00 0.00 N ATOM 917 CA THR A 66 8.556 -11.814 21.050 1.00 0.00 C ATOM 918 C THR A 66 7.803 -13.138 20.814 1.00 0.00 C ATOM 919 O THR A 66 7.722 -13.600 19.670 1.00 0.00 O ATOM 920 CB THR A 66 7.696 -10.578 20.686 1.00 0.00 C ATOM 921 OG1 THR A 66 8.493 -9.404 20.889 1.00 0.00 O ATOM 922 CG2 THR A 66 6.447 -10.464 21.510 1.00 0.00 C ATOM 0 H THR A 66 9.467 -11.379 19.277 1.00 0.00 H new ATOM 0 HA THR A 66 8.822 -11.769 22.106 1.00 0.00 H new ATOM 0 HB THR A 66 7.383 -10.687 19.648 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.908 -8.636 21.057 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.890 -9.578 21.206 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.830 -11.350 21.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.713 -10.381 22.564 1.00 0.00 H new ATOM 930 N PRO A 67 7.352 -13.823 21.885 1.00 0.00 N ATOM 931 CA PRO A 67 6.596 -15.062 21.739 1.00 0.00 C ATOM 932 C PRO A 67 5.252 -14.824 21.037 1.00 0.00 C ATOM 933 O PRO A 67 4.702 -13.716 21.096 1.00 0.00 O ATOM 934 CB PRO A 67 6.385 -15.565 23.170 1.00 0.00 C ATOM 935 CG PRO A 67 6.700 -14.414 24.068 1.00 0.00 C ATOM 936 CD PRO A 67 7.573 -13.462 23.295 1.00 0.00 C ATOM 0 HA PRO A 67 7.126 -15.786 21.121 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.359 -15.903 23.316 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.034 -16.414 23.384 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.785 -13.918 24.391 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.211 -14.758 24.967 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.297 -12.425 23.487 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.621 -13.570 23.573 1.00 0.00 H new ATOM 944 N HIS A 68 4.738 -15.868 20.394 1.00 0.00 N ATOM 945 CA HIS A 68 3.501 -15.827 19.599 1.00 0.00 C ATOM 946 C HIS A 68 2.347 -15.151 20.307 1.00 0.00 C ATOM 947 O HIS A 68 1.737 -14.239 19.755 1.00 0.00 O ATOM 948 CB HIS A 68 3.083 -17.247 19.157 1.00 0.00 C ATOM 949 CG HIS A 68 1.706 -17.352 18.517 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.470 -17.124 17.189 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.497 -17.661 19.055 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.185 -17.283 16.942 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.421 -17.608 18.047 1.00 0.00 N ATOM 0 H HIS A 68 5.175 -16.790 20.407 1.00 0.00 H new ATOM 0 HA HIS A 68 3.734 -15.221 18.724 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.823 -17.622 18.450 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.112 -17.903 20.027 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.299 -17.904 20.089 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.288 -17.163 15.979 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.419 -17.793 18.144 1.00 0.00 H new ATOM 962 N GLU A 69 2.041 -15.598 21.500 1.00 0.00 N ATOM 963 CA GLU A 69 0.905 -15.076 22.199 1.00 0.00 C ATOM 964 C GLU A 69 1.115 -13.630 22.603 1.00 0.00 C ATOM 965 O GLU A 69 0.159 -12.854 22.630 1.00 0.00 O ATOM 966 CB GLU A 69 0.493 -15.970 23.346 1.00 0.00 C ATOM 967 CG GLU A 69 -0.758 -15.528 24.062 1.00 0.00 C ATOM 968 CD GLU A 69 -1.316 -16.600 24.932 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.675 -16.982 25.925 1.00 0.00 O ATOM 970 OE2 GLU A 69 -2.432 -17.091 24.635 1.00 0.00 O ATOM 0 H GLU A 69 2.562 -16.318 22.000 1.00 0.00 H new ATOM 0 HA GLU A 69 0.060 -15.073 21.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.342 -16.981 22.967 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.311 -16.018 24.065 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.537 -14.649 24.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.508 -15.230 23.329 1.00 0.00 H new ATOM 977 N LYS A 70 2.365 -13.257 22.883 1.00 0.00 N ATOM 978 CA LYS A 70 2.669 -11.873 23.129 1.00 0.00 C ATOM 979 C LYS A 70 2.402 -11.064 21.901 1.00 0.00 C ATOM 980 O LYS A 70 1.695 -10.110 21.966 1.00 0.00 O ATOM 981 CB LYS A 70 4.085 -11.630 23.599 1.00 0.00 C ATOM 982 CG LYS A 70 4.142 -11.154 25.021 1.00 0.00 C ATOM 983 CD LYS A 70 5.484 -10.571 25.362 1.00 0.00 C ATOM 984 CE LYS A 70 5.496 -10.055 26.785 1.00 0.00 C ATOM 985 NZ LYS A 70 4.433 -9.055 27.040 1.00 0.00 N ATOM 0 H LYS A 70 3.161 -13.892 22.941 1.00 0.00 H new ATOM 0 HA LYS A 70 2.015 -11.562 23.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.660 -12.551 23.504 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.558 -10.891 22.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.368 -10.404 25.184 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.926 -11.986 25.691 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.258 -11.329 25.238 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.719 -9.759 24.673 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.373 -10.893 27.472 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.467 -9.608 26.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.805 -8.302 27.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.120 -8.643 26.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.627 -9.517 27.507 1.00 0.00 H new ATOM 999 N ILE A 71 2.933 -11.500 20.779 1.00 0.00 N ATOM 1000 CA ILE A 71 2.722 -10.837 19.481 1.00 0.00 C ATOM 1001 C ILE A 71 1.218 -10.596 19.244 1.00 0.00 C ATOM 1002 O ILE A 71 0.802 -9.488 18.883 1.00 0.00 O ATOM 1003 CB ILE A 71 3.323 -11.693 18.314 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.834 -11.848 18.503 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.022 -11.076 16.954 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.536 -12.630 17.410 1.00 0.00 C ATOM 0 H ILE A 71 3.528 -12.327 20.726 1.00 0.00 H new ATOM 0 HA ILE A 71 3.236 -9.876 19.501 1.00 0.00 H new ATOM 0 HB ILE A 71 2.853 -12.676 18.342 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.282 -10.856 18.565 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.018 -12.341 19.458 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.454 -11.697 16.169 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.943 -11.013 16.814 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.453 -10.076 16.905 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.602 -12.687 17.631 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.122 -13.637 17.360 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.390 -12.129 16.453 1.00 0.00 H new ATOM 1018 N VAL A 72 0.415 -11.605 19.544 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.033 -11.500 19.419 1.00 0.00 C ATOM 1020 C VAL A 72 -1.602 -10.535 20.480 1.00 0.00 C ATOM 1021 O VAL A 72 -2.529 -9.786 20.211 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.712 -12.900 19.533 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.233 -12.800 19.461 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.203 -13.815 18.435 1.00 0.00 C ATOM 0 H VAL A 72 0.743 -12.511 19.878 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.255 -11.098 18.430 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.451 -13.315 20.507 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.667 -13.796 19.544 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.596 -12.177 20.278 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.524 -12.356 18.509 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.682 -14.790 18.522 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.437 -13.382 17.463 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.123 -13.932 18.530 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.988 -10.520 21.648 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.425 -9.699 22.776 1.00 0.00 C ATOM 1036 C HIS A 73 -1.143 -8.239 22.487 1.00 0.00 C ATOM 1037 O HIS A 73 -1.983 -7.368 22.761 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.712 -10.145 24.075 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.252 -9.543 25.345 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.086 -10.226 26.197 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.050 -8.333 25.917 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.378 -9.467 27.228 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.762 -8.320 27.083 1.00 0.00 N ATOM 0 H HIS A 73 -0.161 -11.082 21.849 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.498 -9.828 22.915 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.777 -11.230 24.151 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.345 -9.893 23.994 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.442 -7.531 25.526 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.017 -9.741 28.054 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.807 -7.539 27.738 1.00 0.00 H new ATOM 1052 N ILE A 74 0.034 -7.978 21.932 1.00 0.00 N ATOM 1053 CA ILE A 74 0.419 -6.655 21.528 1.00 0.00 C ATOM 1054 C ILE A 74 -0.577 -6.164 20.458 1.00 0.00 C ATOM 1055 O ILE A 74 -1.160 -5.088 20.591 1.00 0.00 O ATOM 1056 CB ILE A 74 1.921 -6.592 20.996 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.992 -6.565 22.135 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.142 -5.416 20.071 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.192 -7.839 22.932 1.00 0.00 C ATOM 0 H ILE A 74 0.743 -8.689 21.754 1.00 0.00 H new ATOM 0 HA ILE A 74 0.387 -5.998 22.397 1.00 0.00 H new ATOM 0 HB ILE A 74 2.057 -7.521 20.442 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.949 -6.291 21.691 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.724 -5.770 22.831 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.178 -5.410 19.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.478 -5.500 19.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.929 -4.489 20.604 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.962 -7.679 23.687 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.257 -8.113 23.420 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.501 -8.642 22.263 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.828 -7.010 19.458 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.768 -6.694 18.376 1.00 0.00 C ATOM 1073 C LEU A 75 -3.185 -6.468 18.866 1.00 0.00 C ATOM 1074 O LEU A 75 -3.813 -5.499 18.489 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.756 -7.780 17.308 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.518 -7.829 16.434 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.547 -9.064 15.554 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.440 -6.570 15.580 1.00 0.00 C ATOM 0 H LEU A 75 -0.390 -7.927 19.373 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.423 -5.755 17.943 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.871 -8.747 17.798 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.626 -7.642 16.666 1.00 0.00 H new ATOM 0 HG LEU A 75 0.366 -7.879 17.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.347 -9.088 14.931 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.577 -9.956 16.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.432 -9.037 14.918 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.451 -6.610 14.954 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.325 -6.504 14.948 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.390 -5.694 16.227 1.00 0.00 H new ATOM 1090 N SER A 76 -3.667 -7.346 19.720 1.00 0.00 N ATOM 1091 CA SER A 76 -5.026 -7.267 20.248 1.00 0.00 C ATOM 1092 C SER A 76 -5.269 -5.977 21.050 1.00 0.00 C ATOM 1093 O SER A 76 -6.387 -5.470 21.082 1.00 0.00 O ATOM 1094 CB SER A 76 -5.352 -8.508 21.097 1.00 0.00 C ATOM 1095 OG SER A 76 -5.199 -9.711 20.333 1.00 0.00 O ATOM 0 H SER A 76 -3.132 -8.139 20.073 1.00 0.00 H new ATOM 0 HA SER A 76 -5.701 -7.240 19.392 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.696 -8.540 21.967 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.374 -8.438 21.471 1.00 0.00 H new ATOM 0 HG SER A 76 -4.246 -9.898 20.205 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.222 -5.420 21.635 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.366 -4.228 22.478 1.00 0.00 C ATOM 1103 C ASN A 77 -3.963 -2.931 21.778 1.00 0.00 C ATOM 1104 O ASN A 77 -4.359 -1.848 22.207 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.589 -4.376 23.798 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.232 -5.348 24.776 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.055 -4.955 25.611 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -3.873 -6.607 24.697 1.00 0.00 N ATOM 0 H ASN A 77 -3.266 -5.765 21.548 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.432 -4.154 22.693 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.576 -4.712 23.578 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.505 -3.398 24.272 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.275 -7.293 25.336 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.191 -6.900 23.997 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.200 -3.021 20.715 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.717 -1.826 20.032 1.00 0.00 C ATOM 1117 C ALA A 78 -3.659 -1.398 18.925 1.00 0.00 C ATOM 1118 O ALA A 78 -4.093 -2.220 18.128 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.317 -2.057 19.473 1.00 0.00 C ATOM 0 H ALA A 78 -2.897 -3.901 20.299 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.676 -1.022 20.767 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.974 -1.155 18.967 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.635 -2.298 20.288 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.340 -2.884 18.763 1.00 0.00 H new ATOM 1125 N VAL A 79 -3.987 -0.121 18.890 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.854 0.429 17.862 1.00 0.00 C ATOM 1127 C VAL A 79 -4.128 1.627 17.215 1.00 0.00 C ATOM 1128 O VAL A 79 -2.973 1.900 17.554 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.276 0.852 18.428 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.761 -0.097 19.434 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.382 2.266 18.920 1.00 0.00 C ATOM 0 H VAL A 79 -3.661 0.565 19.571 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.053 -0.340 17.116 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.930 0.815 17.557 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.736 0.226 19.798 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.850 -1.087 18.987 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.058 -0.136 20.266 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.393 2.450 19.284 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.670 2.424 19.730 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.160 2.953 18.103 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.775 2.313 16.306 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.179 3.444 15.636 1.00 0.00 C ATOM 1143 C GLY A 80 -3.444 2.981 14.426 1.00 0.00 C ATOM 1144 O GLY A 80 -3.716 1.883 13.935 1.00 0.00 O ATOM 0 H GLY A 80 -5.728 2.104 16.009 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.951 4.159 15.353 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.498 3.961 16.311 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.585 3.805 13.902 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.710 3.390 12.845 1.00 0.00 C ATOM 1150 C GLU A 81 -0.630 2.538 13.473 1.00 0.00 C ATOM 1151 O GLU A 81 0.095 3.002 14.372 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.068 4.571 12.121 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.021 5.623 11.586 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.329 6.692 12.590 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -3.093 6.450 13.543 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.779 7.805 12.460 1.00 0.00 O ATOM 0 H GLU A 81 -2.471 4.776 14.192 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.286 2.841 12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.371 5.055 12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.480 4.185 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.588 6.080 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.949 5.142 11.277 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.497 1.320 13.026 1.00 0.00 N ATOM 1164 CA ILE A 82 0.373 0.402 13.677 1.00 0.00 C ATOM 1165 C ILE A 82 1.460 0.047 12.760 1.00 0.00 C ATOM 1166 O ILE A 82 1.236 -0.445 11.651 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.379 -0.838 14.178 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.496 -0.427 15.132 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.570 -1.824 14.853 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.470 -1.534 15.424 1.00 0.00 C ATOM 0 H ILE A 82 -0.984 0.947 12.211 1.00 0.00 H new ATOM 0 HA ILE A 82 0.795 0.876 14.563 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.820 -1.339 13.317 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.056 -0.084 16.068 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.036 0.418 14.705 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.008 -2.692 15.197 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.330 -2.143 14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.051 -1.342 15.704 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.237 -1.172 16.109 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.937 -1.862 14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.943 -2.372 15.880 1.00 0.00 H new ATOM 1182 N HIS A 83 2.619 0.351 13.204 1.00 0.00 N ATOM 1183 CA HIS A 83 3.789 0.202 12.443 1.00 0.00 C ATOM 1184 C HIS A 83 4.297 -1.177 12.548 1.00 0.00 C ATOM 1185 O HIS A 83 4.717 -1.616 13.600 1.00 0.00 O ATOM 1186 CB HIS A 83 4.819 1.150 12.952 1.00 0.00 C ATOM 1187 CG HIS A 83 5.654 1.646 11.898 1.00 0.00 C ATOM 1188 ND1 HIS A 83 6.976 1.345 11.752 1.00 0.00 N ATOM 1189 CD2 HIS A 83 5.326 2.473 10.933 1.00 0.00 C ATOM 1190 CE1 HIS A 83 7.443 1.997 10.718 1.00 0.00 C ATOM 1191 NE2 HIS A 83 6.448 2.702 10.192 1.00 0.00 N ATOM 0 H HIS A 83 2.781 0.723 14.140 1.00 0.00 H new ATOM 0 HA HIS A 83 3.567 0.414 11.397 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.329 1.986 13.451 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.435 0.650 13.699 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.512 0.716 12.350 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.347 2.895 10.758 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.460 1.967 10.356 1.00 0.00 H new ATOM 1200 N MET A 84 4.225 -1.849 11.493 1.00 0.00 N ATOM 1201 CA MET A 84 4.688 -3.154 11.408 1.00 0.00 C ATOM 1202 C MET A 84 5.746 -3.247 10.356 1.00 0.00 C ATOM 1203 O MET A 84 5.676 -2.575 9.344 1.00 0.00 O ATOM 1204 CB MET A 84 3.548 -4.024 11.053 1.00 0.00 C ATOM 1205 CG MET A 84 2.630 -4.381 12.203 1.00 0.00 C ATOM 1206 SD MET A 84 1.090 -5.099 11.621 1.00 0.00 S ATOM 1207 CE MET A 84 1.686 -5.897 10.146 1.00 0.00 C ATOM 0 H MET A 84 3.825 -1.493 10.625 1.00 0.00 H new ATOM 0 HA MET A 84 5.117 -3.466 12.360 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.960 -3.529 10.280 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.936 -4.945 10.618 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.133 -5.085 12.866 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.417 -3.488 12.790 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.901 -6.530 9.733 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.967 -5.142 9.412 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.555 -6.508 10.389 1.00 0.00 H new ATOM 1217 N LYS A 85 6.717 -4.047 10.584 1.00 0.00 N ATOM 1218 CA LYS A 85 7.756 -4.252 9.620 1.00 0.00 C ATOM 1219 C LYS A 85 7.724 -5.704 9.316 1.00 0.00 C ATOM 1220 O LYS A 85 7.837 -6.522 10.215 1.00 0.00 O ATOM 1221 CB LYS A 85 9.117 -3.818 10.190 1.00 0.00 C ATOM 1222 CG LYS A 85 9.172 -2.343 10.566 1.00 0.00 C ATOM 1223 CD LYS A 85 9.878 -1.493 9.525 1.00 0.00 C ATOM 1224 CE LYS A 85 11.390 -1.591 9.663 1.00 0.00 C ATOM 1225 NZ LYS A 85 12.092 -0.708 8.709 1.00 0.00 N ATOM 0 H LYS A 85 6.824 -4.585 11.444 1.00 0.00 H new ATOM 0 HA LYS A 85 7.608 -3.657 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.342 -4.419 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.894 -4.027 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.157 -1.971 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.684 -2.236 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.580 -1.815 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.568 -0.453 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.679 -1.328 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.703 -2.622 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.119 -0.806 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.837 -0.975 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.814 0.279 8.881 1.00 0.00 H new ATOM 1239 N THR A 86 7.470 -6.042 8.106 1.00 0.00 N ATOM 1240 CA THR A 86 7.342 -7.414 7.763 1.00 0.00 C ATOM 1241 C THR A 86 8.389 -7.801 6.737 1.00 0.00 C ATOM 1242 O THR A 86 8.764 -6.998 5.906 1.00 0.00 O ATOM 1243 CB THR A 86 5.912 -7.736 7.237 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.642 -7.045 6.000 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.845 -7.347 8.260 1.00 0.00 C ATOM 0 H THR A 86 7.346 -5.388 7.333 1.00 0.00 H new ATOM 0 HA THR A 86 7.503 -8.003 8.666 1.00 0.00 H new ATOM 0 HB THR A 86 5.874 -8.812 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.175 -6.224 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.858 -7.584 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.008 -7.901 9.184 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.908 -6.278 8.462 1.00 0.00 H new ATOM 1253 N MET A 87 8.870 -9.004 6.818 1.00 0.00 N ATOM 1254 CA MET A 87 9.844 -9.502 5.871 1.00 0.00 C ATOM 1255 C MET A 87 9.174 -10.635 5.138 1.00 0.00 C ATOM 1256 O MET A 87 8.167 -11.130 5.637 1.00 0.00 O ATOM 1257 CB MET A 87 11.107 -10.007 6.616 1.00 0.00 C ATOM 1258 CG MET A 87 11.784 -8.955 7.480 1.00 0.00 C ATOM 1259 SD MET A 87 13.311 -9.544 8.263 1.00 0.00 S ATOM 1260 CE MET A 87 14.404 -9.652 6.839 1.00 0.00 C ATOM 0 H MET A 87 8.604 -9.675 7.539 1.00 0.00 H new ATOM 0 HA MET A 87 10.167 -8.722 5.181 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.830 -10.854 7.244 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.825 -10.375 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.011 -8.083 6.867 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.089 -8.629 8.254 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.434 -9.757 7.178 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.131 -10.518 6.236 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.310 -8.747 6.239 1.00 0.00 H new ATOM 1270 N PRO A 88 9.683 -11.102 3.981 1.00 0.00 N ATOM 1271 CA PRO A 88 9.080 -12.238 3.228 1.00 0.00 C ATOM 1272 C PRO A 88 9.291 -13.588 3.937 1.00 0.00 C ATOM 1273 O PRO A 88 9.271 -14.632 3.309 1.00 0.00 O ATOM 1274 CB PRO A 88 9.849 -12.227 1.903 1.00 0.00 C ATOM 1275 CG PRO A 88 11.152 -11.603 2.231 1.00 0.00 C ATOM 1276 CD PRO A 88 10.851 -10.549 3.256 1.00 0.00 C ATOM 0 HA PRO A 88 8.001 -12.127 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.980 -13.236 1.513 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.317 -11.657 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.852 -12.341 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.611 -11.167 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.697 -10.383 3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.619 -9.591 2.791 1.00 0.00 H new ATOM 1284 N ALA A 89 9.486 -13.527 5.254 1.00 0.00 N ATOM 1285 CA ALA A 89 9.714 -14.678 6.133 1.00 0.00 C ATOM 1286 C ALA A 89 11.004 -15.410 5.787 1.00 0.00 C ATOM 1287 O ALA A 89 11.197 -16.580 6.130 1.00 0.00 O ATOM 1288 CB ALA A 89 8.502 -15.595 6.152 1.00 0.00 C ATOM 0 H ALA A 89 9.490 -12.641 5.759 1.00 0.00 H new ATOM 0 HA ALA A 89 9.846 -14.305 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.696 -16.441 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.634 -15.044 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.305 -15.959 5.143 1.00 0.00 H new ATOM 1294 N ALA A 90 11.887 -14.688 5.151 1.00 0.00 N ATOM 1295 CA ALA A 90 13.184 -15.164 4.819 1.00 0.00 C ATOM 1296 C ALA A 90 14.136 -14.516 5.789 1.00 0.00 C ATOM 1297 O ALA A 90 14.463 -15.130 6.811 1.00 0.00 O ATOM 1298 CB ALA A 90 13.532 -14.805 3.380 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.458 -13.330 5.610 1.00 0.00 O ATOM 0 H ALA A 90 11.711 -13.731 4.846 1.00 0.00 H new ATOM 0 HA ALA A 90 13.241 -16.250 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.529 -15.177 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.805 -15.259 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.511 -13.722 3.260 1.00 0.00 H new TER 1305 ALA A 90