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= 0.958 K(o=3,f=-4.2!) USER MOD Set 1.2: A 86 THR OG1 : rot -39:sc= 2.03 USER MOD Set 2.1: A 14 THR OG1 : rot 137:sc= 1.08 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 144:sc= -0.0216 (180deg=-0.294) 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 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.2!) USER MOD Single : A 61 GLN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 62 SER OG : rot 108:sc= 0.598 USER MOD Single : A 66 THR OG1 : rot -151:sc= -2.28! USER MOD Single : A 68 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0275) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -165:sc= -1.88 (180deg=-2.75) USER MOD Single : A 87 MET CE :methyl -150:sc= -0.128 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 15.870 -7.960 10.005 1.00 0.00 N ATOM 2 CA GLU A 7 15.328 -7.077 11.035 1.00 0.00 C ATOM 3 C GLU A 7 15.551 -5.636 10.563 1.00 0.00 C ATOM 4 O GLU A 7 14.631 -4.977 10.111 1.00 0.00 O ATOM 5 CB GLU A 7 16.021 -7.366 12.392 1.00 0.00 C ATOM 6 CG GLU A 7 15.188 -7.083 13.653 1.00 0.00 C ATOM 7 CD GLU A 7 14.843 -5.638 13.869 1.00 0.00 C ATOM 8 OE1 GLU A 7 15.762 -4.831 14.015 1.00 0.00 O ATOM 9 OE2 GLU A 7 13.643 -5.296 13.953 1.00 0.00 O ATOM 0 HA GLU A 7 14.262 -7.242 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.321 -8.414 12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.934 -6.773 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.264 -7.658 13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.737 -7.445 14.523 1.00 0.00 H new ATOM 16 N THR A 8 16.790 -5.185 10.596 1.00 0.00 N ATOM 17 CA THR A 8 17.130 -3.868 10.107 1.00 0.00 C ATOM 18 C THR A 8 17.173 -3.908 8.576 1.00 0.00 C ATOM 19 O THR A 8 16.619 -3.039 7.883 1.00 0.00 O ATOM 20 CB THR A 8 18.517 -3.465 10.637 1.00 0.00 C ATOM 21 OG1 THR A 8 18.554 -3.702 12.050 1.00 0.00 O ATOM 22 CG2 THR A 8 18.797 -1.991 10.367 1.00 0.00 C ATOM 0 H THR A 8 17.581 -5.717 10.959 1.00 0.00 H new ATOM 0 HA THR A 8 16.387 -3.146 10.446 1.00 0.00 H new ATOM 0 HB THR A 8 19.277 -4.057 10.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.434 -3.451 12.401 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.783 -1.732 10.751 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.766 -1.805 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.042 -1.381 10.863 1.00 0.00 H new ATOM 30 N MET A 9 17.790 -4.949 8.054 1.00 0.00 N ATOM 31 CA MET A 9 17.941 -5.099 6.631 1.00 0.00 C ATOM 32 C MET A 9 17.140 -6.284 6.146 1.00 0.00 C ATOM 33 O MET A 9 16.675 -7.113 6.957 1.00 0.00 O ATOM 34 CB MET A 9 19.415 -5.304 6.230 1.00 0.00 C ATOM 35 CG MET A 9 20.034 -6.599 6.758 1.00 0.00 C ATOM 36 SD MET A 9 21.640 -6.975 6.016 1.00 0.00 S ATOM 37 CE MET A 9 22.570 -5.507 6.449 1.00 0.00 C ATOM 0 H MET A 9 18.196 -5.706 8.604 1.00 0.00 H new ATOM 0 HA MET A 9 17.578 -4.180 6.170 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.488 -5.296 5.143 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.000 -4.460 6.595 1.00 0.00 H new ATOM 0 HG2 MET A 9 20.149 -6.525 7.839 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.350 -7.426 6.566 1.00 0.00 H new ATOM 0 HE1 MET A 9 23.603 -5.781 6.665 1.00 0.00 H new ATOM 0 HE2 MET A 9 22.547 -4.803 5.617 1.00 0.00 H new ATOM 0 HE3 MET A 9 22.127 -5.042 7.330 1.00 0.00 H new ATOM 47 N GLY A 10 16.966 -6.346 4.855 1.00 0.00 N ATOM 48 CA GLY A 10 16.330 -7.456 4.235 1.00 0.00 C ATOM 49 C GLY A 10 15.245 -6.981 3.342 1.00 0.00 C ATOM 50 O GLY A 10 15.368 -5.915 2.714 1.00 0.00 O ATOM 0 H GLY A 10 17.267 -5.619 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.058 -8.031 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.922 -8.123 4.994 1.00 0.00 H new ATOM 54 N ASN A 11 14.209 -7.732 3.258 1.00 0.00 N ATOM 55 CA ASN A 11 13.058 -7.325 2.526 1.00 0.00 C ATOM 56 C ASN A 11 12.010 -6.986 3.510 1.00 0.00 C ATOM 57 O ASN A 11 11.212 -7.820 3.918 1.00 0.00 O ATOM 58 CB ASN A 11 12.583 -8.364 1.499 1.00 0.00 C ATOM 59 CG ASN A 11 13.471 -8.424 0.272 1.00 0.00 C ATOM 60 OD1 ASN A 11 13.247 -7.693 -0.705 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.459 -9.287 0.284 1.00 0.00 N ATOM 0 H ASN A 11 14.131 -8.650 3.695 1.00 0.00 H new ATOM 0 HA ASN A 11 13.307 -6.455 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.554 -9.347 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.564 -8.127 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.072 -9.372 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.615 -9.873 1.104 1.00 0.00 H new ATOM 68 N VAL A 12 12.065 -5.779 3.947 1.00 0.00 N ATOM 69 CA VAL A 12 11.234 -5.315 4.958 1.00 0.00 C ATOM 70 C VAL A 12 10.179 -4.483 4.358 1.00 0.00 C ATOM 71 O VAL A 12 10.416 -3.434 3.765 1.00 0.00 O ATOM 72 CB VAL A 12 11.980 -4.536 6.048 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.998 -3.922 7.006 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.909 -5.432 6.820 1.00 0.00 C ATOM 0 H VAL A 12 12.715 -5.079 3.589 1.00 0.00 H new ATOM 0 HA VAL A 12 10.802 -6.183 5.457 1.00 0.00 H new ATOM 0 HB VAL A 12 12.564 -3.758 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.537 -3.371 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.340 -3.241 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.403 -4.708 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.423 -4.850 7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.336 -6.229 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.642 -5.867 6.141 1.00 0.00 H new ATOM 84 N THR A 13 9.064 -4.969 4.486 1.00 0.00 N ATOM 85 CA THR A 13 7.905 -4.399 4.016 1.00 0.00 C ATOM 86 C THR A 13 7.137 -3.914 5.218 1.00 0.00 C ATOM 87 O THR A 13 6.694 -4.712 6.070 1.00 0.00 O ATOM 88 CB THR A 13 7.151 -5.492 3.295 1.00 0.00 C ATOM 89 OG1 THR A 13 7.906 -5.963 2.156 1.00 0.00 O ATOM 90 CG2 THR A 13 5.743 -5.092 2.913 1.00 0.00 C ATOM 0 H THR A 13 8.906 -5.857 4.963 1.00 0.00 H new ATOM 0 HA THR A 13 8.075 -3.563 3.337 1.00 0.00 H new ATOM 0 HB THR A 13 7.038 -6.318 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.404 -6.672 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.256 -5.921 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.180 -4.841 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.777 -4.225 2.253 1.00 0.00 H new ATOM 98 N THR A 14 7.044 -2.654 5.327 1.00 0.00 N ATOM 99 CA THR A 14 6.391 -2.057 6.404 1.00 0.00 C ATOM 100 C THR A 14 4.895 -2.079 6.171 1.00 0.00 C ATOM 101 O THR A 14 4.402 -1.929 5.034 1.00 0.00 O ATOM 102 CB THR A 14 6.880 -0.627 6.576 1.00 0.00 C ATOM 103 OG1 THR A 14 8.323 -0.629 6.593 1.00 0.00 O ATOM 104 CG2 THR A 14 6.357 -0.019 7.874 1.00 0.00 C ATOM 0 H THR A 14 7.430 -1.995 4.651 1.00 0.00 H new ATOM 0 HA THR A 14 6.613 -2.614 7.315 1.00 0.00 H new ATOM 0 HB THR A 14 6.508 -0.026 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.658 0.113 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.723 1.003 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.267 -0.015 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.707 -0.611 8.720 1.00 0.00 H new ATOM 112 N VAL A 15 4.199 -2.328 7.206 1.00 0.00 N ATOM 113 CA VAL A 15 2.803 -2.355 7.191 1.00 0.00 C ATOM 114 C VAL A 15 2.291 -1.376 8.166 1.00 0.00 C ATOM 115 O VAL A 15 2.706 -1.357 9.309 1.00 0.00 O ATOM 116 CB VAL A 15 2.258 -3.735 7.545 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.758 -3.679 7.746 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.589 -4.714 6.456 1.00 0.00 C ATOM 0 H VAL A 15 4.605 -2.526 8.120 1.00 0.00 H new ATOM 0 HA VAL A 15 2.474 -2.108 6.182 1.00 0.00 H new ATOM 0 HB VAL A 15 2.723 -4.062 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.387 -4.673 7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.525 -2.989 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.281 -3.335 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.196 -5.696 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.141 -4.382 5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.671 -4.776 6.339 1.00 0.00 H new ATOM 128 N LEU A 16 1.454 -0.549 7.720 1.00 0.00 N ATOM 129 CA LEU A 16 0.793 0.313 8.583 1.00 0.00 C ATOM 130 C LEU A 16 -0.634 -0.119 8.624 1.00 0.00 C ATOM 131 O LEU A 16 -1.296 -0.117 7.627 1.00 0.00 O ATOM 132 CB LEU A 16 0.877 1.744 8.133 1.00 0.00 C ATOM 133 CG LEU A 16 0.317 2.729 9.132 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.214 2.854 10.326 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.095 4.044 8.516 1.00 0.00 C ATOM 0 H LEU A 16 1.205 -0.450 6.736 1.00 0.00 H new ATOM 0 HA LEU A 16 1.260 0.267 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.920 1.993 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.340 1.851 7.190 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.647 2.344 9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.787 3.569 11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.312 1.883 10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.197 3.201 10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.308 4.731 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.040 4.433 8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.612 3.945 7.692 1.00 0.00 H new ATOM 147 N ILE A 17 -1.077 -0.532 9.730 1.00 0.00 N ATOM 148 CA ILE A 17 -2.443 -0.930 9.874 1.00 0.00 C ATOM 149 C ILE A 17 -3.136 0.202 10.633 1.00 0.00 C ATOM 150 O ILE A 17 -2.520 0.812 11.516 1.00 0.00 O ATOM 151 CB ILE A 17 -2.495 -2.322 10.630 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.419 -3.313 9.928 1.00 0.00 C ATOM 153 CG2 ILE A 17 -2.943 -2.180 12.063 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.883 -2.970 10.033 1.00 0.00 C ATOM 0 H ILE A 17 -0.518 -0.612 10.579 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.954 -1.083 8.923 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.473 -2.701 10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.144 -3.366 8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.258 -4.305 10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.962 -3.161 12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.249 -1.532 12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.942 -1.744 12.090 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.472 -3.723 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.177 -2.946 11.082 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.061 -1.993 9.584 1.00 0.00 H new ATOM 166 N ARG A 18 -4.319 0.573 10.216 1.00 0.00 N ATOM 167 CA ARG A 18 -5.066 1.586 10.924 1.00 0.00 C ATOM 168 C ARG A 18 -6.234 0.980 11.621 1.00 0.00 C ATOM 169 O ARG A 18 -7.237 0.617 11.010 1.00 0.00 O ATOM 170 CB ARG A 18 -5.479 2.797 10.066 1.00 0.00 C ATOM 171 CG ARG A 18 -4.343 3.769 9.771 1.00 0.00 C ATOM 172 CD ARG A 18 -3.378 3.245 8.729 1.00 0.00 C ATOM 173 NE ARG A 18 -3.934 3.353 7.367 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.526 2.684 6.277 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.743 1.651 6.368 1.00 0.00 N ATOM 176 NH2 ARG A 18 -3.949 3.040 5.087 1.00 0.00 N ATOM 0 H ARG A 18 -4.786 0.192 9.393 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.381 1.998 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.889 2.437 9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.279 3.334 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.761 4.716 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.799 3.975 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.443 3.803 8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.141 2.203 8.944 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.709 4.004 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.424 1.332 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.447 1.160 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.590 3.827 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.637 2.529 4.261 1.00 0.00 H new ATOM 190 N ARG A 19 -6.087 0.845 12.893 1.00 0.00 N ATOM 191 CA ARG A 19 -7.072 0.231 13.703 1.00 0.00 C ATOM 192 C ARG A 19 -7.807 1.266 14.546 1.00 0.00 C ATOM 193 O ARG A 19 -7.203 1.906 15.384 1.00 0.00 O ATOM 194 CB ARG A 19 -6.407 -0.800 14.582 1.00 0.00 C ATOM 195 CG ARG A 19 -7.350 -1.493 15.512 1.00 0.00 C ATOM 196 CD ARG A 19 -6.652 -2.600 16.229 1.00 0.00 C ATOM 197 NE ARG A 19 -7.564 -3.345 17.049 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.219 -4.249 17.928 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.968 -4.350 18.300 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.145 -5.034 18.475 1.00 0.00 N ATOM 0 H ARG A 19 -5.265 1.164 13.405 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.811 -0.255 13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.921 -1.544 13.951 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.624 -0.316 15.166 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.750 -0.780 16.232 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.197 -1.890 14.952 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.183 -3.266 15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.855 -2.189 16.848 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.560 -3.154 16.937 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.266 -3.725 17.904 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.695 -5.054 18.986 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.124 -4.930 18.208 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.875 -5.739 19.161 1.00 0.00 H new ATOM 214 N PRO A 20 -9.106 1.474 14.303 1.00 0.00 N ATOM 215 CA PRO A 20 -9.921 2.429 15.076 1.00 0.00 C ATOM 216 C PRO A 20 -9.916 2.137 16.591 1.00 0.00 C ATOM 217 O PRO A 20 -9.542 2.995 17.392 1.00 0.00 O ATOM 218 CB PRO A 20 -11.325 2.242 14.495 1.00 0.00 C ATOM 219 CG PRO A 20 -11.089 1.744 13.115 1.00 0.00 C ATOM 220 CD PRO A 20 -9.882 0.858 13.210 1.00 0.00 C ATOM 0 HA PRO A 20 -9.538 3.446 14.993 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.906 1.530 15.081 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.881 3.179 14.490 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.953 1.192 12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.917 2.569 12.424 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.154 -0.172 13.439 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.320 0.839 12.276 1.00 0.00 H new ATOM 228 N ASP A 21 -10.286 0.925 16.970 1.00 0.00 N ATOM 229 CA ASP A 21 -10.381 0.540 18.373 1.00 0.00 C ATOM 230 C ASP A 21 -10.372 -0.980 18.459 1.00 0.00 C ATOM 231 O ASP A 21 -10.181 -1.650 17.433 1.00 0.00 O ATOM 232 CB ASP A 21 -11.658 1.116 19.030 1.00 0.00 C ATOM 233 CG ASP A 21 -12.919 0.324 18.759 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.495 0.441 17.666 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.338 -0.434 19.663 1.00 0.00 O ATOM 0 H ASP A 21 -10.529 0.180 16.317 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.529 0.949 18.916 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.503 1.170 20.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.803 2.137 18.677 1.00 0.00 H new ATOM 240 N LEU A 22 -10.589 -1.523 19.649 1.00 0.00 N ATOM 241 CA LEU A 22 -10.518 -2.953 19.883 1.00 0.00 C ATOM 242 C LEU A 22 -11.654 -3.744 19.271 1.00 0.00 C ATOM 243 O LEU A 22 -11.521 -4.954 19.076 1.00 0.00 O ATOM 244 CB LEU A 22 -10.356 -3.252 21.353 1.00 0.00 C ATOM 245 CG LEU A 22 -9.104 -2.651 21.973 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.915 -3.165 23.368 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.891 -2.948 21.107 1.00 0.00 C ATOM 0 H LEU A 22 -10.820 -0.979 20.480 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.627 -3.294 19.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.229 -2.878 21.888 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.335 -4.333 21.493 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.221 -1.569 22.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.015 -2.726 23.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.778 -2.893 23.976 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.814 -4.250 23.345 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.003 -2.512 21.563 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.762 -4.027 21.020 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.038 -2.519 20.116 1.00 0.00 H new ATOM 259 N ARG A 23 -12.754 -3.066 18.941 1.00 0.00 N ATOM 260 CA ARG A 23 -13.876 -3.705 18.222 1.00 0.00 C ATOM 261 C ARG A 23 -13.400 -4.195 16.878 1.00 0.00 C ATOM 262 O ARG A 23 -13.876 -5.205 16.349 1.00 0.00 O ATOM 263 CB ARG A 23 -15.022 -2.734 17.969 1.00 0.00 C ATOM 264 CG ARG A 23 -15.901 -2.395 19.150 1.00 0.00 C ATOM 265 CD ARG A 23 -16.626 -3.618 19.682 1.00 0.00 C ATOM 266 NE ARG A 23 -17.918 -3.237 20.257 1.00 0.00 N ATOM 267 CZ ARG A 23 -18.312 -3.419 21.512 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.566 -4.113 22.363 1.00 0.00 N ATOM 269 NH2 ARG A 23 -19.490 -2.951 21.901 1.00 0.00 N ATOM 0 H ARG A 23 -12.899 -2.079 19.155 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.230 -4.523 18.849 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.602 -1.806 17.581 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.653 -3.151 17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.293 -1.959 19.943 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.630 -1.640 18.856 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.777 -4.337 18.877 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.015 -4.110 20.439 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.583 -2.786 19.629 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.680 -4.513 22.055 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.879 -4.246 23.325 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.086 -2.455 21.238 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.800 -3.087 22.863 1.00 0.00 H new ATOM 283 N TYR A 24 -12.451 -3.485 16.337 1.00 0.00 N ATOM 284 CA TYR A 24 -11.899 -3.815 15.072 1.00 0.00 C ATOM 285 C TYR A 24 -10.698 -4.638 15.329 1.00 0.00 C ATOM 286 O TYR A 24 -9.895 -4.290 16.174 1.00 0.00 O ATOM 287 CB TYR A 24 -11.491 -2.559 14.296 1.00 0.00 C ATOM 288 CG TYR A 24 -12.626 -1.710 13.767 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.376 -0.895 14.604 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.926 -1.708 12.412 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.386 -0.100 14.105 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.935 -0.920 11.906 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.666 -0.122 12.752 1.00 0.00 C ATOM 294 OH TYR A 24 -15.666 0.682 12.233 1.00 0.00 O ATOM 0 H TYR A 24 -12.042 -2.657 16.771 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.638 -4.347 14.473 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.872 -1.940 14.945 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.867 -2.862 13.455 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.165 -0.883 15.663 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.357 -2.336 11.742 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.955 0.536 14.767 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.151 -0.929 10.848 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.729 0.542 11.265 1.00 0.00 H new ATOM 304 N GLN A 25 -10.585 -5.732 14.678 1.00 0.00 N ATOM 305 CA GLN A 25 -9.432 -6.545 14.824 1.00 0.00 C ATOM 306 C GLN A 25 -8.593 -6.433 13.585 1.00 0.00 C ATOM 307 O GLN A 25 -9.080 -5.964 12.553 1.00 0.00 O ATOM 308 CB GLN A 25 -9.785 -7.982 15.162 1.00 0.00 C ATOM 309 CG GLN A 25 -10.456 -8.123 16.518 1.00 0.00 C ATOM 310 CD GLN A 25 -10.749 -9.556 16.863 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.811 -10.077 16.556 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.806 -10.214 17.470 1.00 0.00 N ATOM 0 H GLN A 25 -11.285 -6.092 14.029 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.848 -6.186 15.672 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.446 -8.379 14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.878 -8.587 15.146 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.814 -7.691 17.285 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.385 -7.553 16.522 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.932 -9.747 17.711 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.940 -11.197 17.705 1.00 0.00 H new ATOM 321 N LEU A 26 -7.365 -6.885 13.695 1.00 0.00 N ATOM 322 CA LEU A 26 -6.328 -6.736 12.675 1.00 0.00 C ATOM 323 C LEU A 26 -6.818 -7.207 11.317 1.00 0.00 C ATOM 324 O LEU A 26 -6.780 -6.461 10.339 1.00 0.00 O ATOM 325 CB LEU A 26 -5.056 -7.538 13.058 1.00 0.00 C ATOM 326 CG LEU A 26 -4.406 -7.317 14.456 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.227 -5.844 14.788 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.129 -8.078 15.582 1.00 0.00 C ATOM 0 H LEU A 26 -7.040 -7.385 14.522 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.086 -5.675 12.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.299 -8.597 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.296 -7.325 12.306 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.407 -7.749 14.388 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.770 -5.746 15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.584 -5.378 14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.199 -5.350 14.788 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.629 -7.884 16.531 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.164 -7.742 15.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.106 -9.147 15.372 1.00 0.00 H new ATOM 340 N GLY A 27 -7.309 -8.416 11.269 1.00 0.00 N ATOM 341 CA GLY A 27 -7.765 -8.949 10.030 1.00 0.00 C ATOM 342 C GLY A 27 -6.743 -9.851 9.400 1.00 0.00 C ATOM 343 O GLY A 27 -6.626 -9.907 8.185 1.00 0.00 O ATOM 0 H GLY A 27 -7.400 -9.040 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.689 -9.504 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.999 -8.132 9.347 1.00 0.00 H new ATOM 347 N PHE A 28 -5.984 -10.524 10.211 1.00 0.00 N ATOM 348 CA PHE A 28 -5.047 -11.507 9.740 1.00 0.00 C ATOM 349 C PHE A 28 -4.739 -12.433 10.877 1.00 0.00 C ATOM 350 O PHE A 28 -5.003 -12.099 12.040 1.00 0.00 O ATOM 351 CB PHE A 28 -3.738 -10.894 9.136 1.00 0.00 C ATOM 352 CG PHE A 28 -2.798 -10.207 10.109 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.956 -8.875 10.428 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.736 -10.900 10.675 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.088 -8.243 11.289 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.867 -10.274 11.542 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.045 -8.942 11.846 1.00 0.00 C ATOM 0 H PHE A 28 -5.995 -10.408 11.224 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.507 -12.047 8.912 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.188 -11.691 8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.022 -10.173 8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.774 -8.319 9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.589 -11.942 10.433 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.227 -7.199 11.526 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.049 -10.826 11.982 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.364 -8.447 12.523 1.00 0.00 H new ATOM 367 N SER A 29 -4.221 -13.563 10.563 1.00 0.00 N ATOM 368 CA SER A 29 -3.871 -14.536 11.549 1.00 0.00 C ATOM 369 C SER A 29 -2.373 -14.742 11.526 1.00 0.00 C ATOM 370 O SER A 29 -1.805 -15.073 10.478 1.00 0.00 O ATOM 371 CB SER A 29 -4.594 -15.840 11.234 1.00 0.00 C ATOM 372 OG SER A 29 -6.003 -15.639 11.251 1.00 0.00 O ATOM 0 H SER A 29 -4.023 -13.849 9.604 1.00 0.00 H new ATOM 0 HA SER A 29 -4.166 -14.197 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.284 -16.209 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.319 -16.602 11.964 1.00 0.00 H new ATOM 0 HG SER A 29 -6.456 -16.483 11.046 1.00 0.00 H new ATOM 378 N VAL A 30 -1.720 -14.531 12.643 1.00 0.00 N ATOM 379 CA VAL A 30 -0.300 -14.696 12.685 1.00 0.00 C ATOM 380 C VAL A 30 0.047 -15.935 13.526 1.00 0.00 C ATOM 381 O VAL A 30 -0.573 -16.194 14.575 1.00 0.00 O ATOM 382 CB VAL A 30 0.417 -13.400 13.230 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.728 -13.441 14.719 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.647 -13.063 12.430 1.00 0.00 C ATOM 0 H VAL A 30 -2.150 -14.248 13.523 1.00 0.00 H new ATOM 0 HA VAL A 30 0.068 -14.849 11.670 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.311 -12.599 13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.220 -12.514 15.014 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.199 -13.555 15.281 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.386 -14.284 14.930 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.111 -12.165 12.837 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.353 -13.892 12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.369 -12.888 11.391 1.00 0.00 H new ATOM 394 N GLN A 31 0.967 -16.723 13.047 1.00 0.00 N ATOM 395 CA GLN A 31 1.431 -17.870 13.772 1.00 0.00 C ATOM 396 C GLN A 31 2.924 -17.786 13.913 1.00 0.00 C ATOM 397 O GLN A 31 3.633 -17.661 12.933 1.00 0.00 O ATOM 398 CB GLN A 31 0.908 -19.210 13.162 1.00 0.00 C ATOM 399 CG GLN A 31 1.209 -19.478 11.677 1.00 0.00 C ATOM 400 CD GLN A 31 2.612 -20.001 11.394 1.00 0.00 C ATOM 401 OE1 GLN A 31 3.223 -20.683 12.216 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.110 -19.725 10.218 1.00 0.00 N ATOM 0 H GLN A 31 1.417 -16.588 12.142 1.00 0.00 H new ATOM 0 HA GLN A 31 1.010 -17.868 14.777 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.327 -20.031 13.744 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.173 -19.242 13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.484 -20.199 11.298 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.061 -18.554 11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.578 -19.157 9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.031 -20.078 9.959 1.00 0.00 H new ATOM 411 N ASN A 32 3.376 -17.681 15.152 1.00 0.00 N ATOM 412 CA ASN A 32 4.822 -17.574 15.498 1.00 0.00 C ATOM 413 C ASN A 32 5.437 -16.265 15.018 1.00 0.00 C ATOM 414 O ASN A 32 6.647 -16.055 15.115 1.00 0.00 O ATOM 415 CB ASN A 32 5.646 -18.773 14.984 1.00 0.00 C ATOM 416 CG ASN A 32 5.215 -20.090 15.584 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.718 -20.149 16.707 1.00 0.00 O ATOM 418 ND2 ASN A 32 5.438 -21.157 14.861 1.00 0.00 N ATOM 0 H ASN A 32 2.762 -17.666 15.966 1.00 0.00 H new ATOM 0 HA ASN A 32 4.862 -17.587 16.587 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.557 -18.829 13.899 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.699 -18.605 15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.198 -22.079 15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.852 -21.067 13.933 1.00 0.00 H new ATOM 425 N GLY A 33 4.594 -15.375 14.554 1.00 0.00 N ATOM 426 CA GLY A 33 5.050 -14.122 14.013 1.00 0.00 C ATOM 427 C GLY A 33 4.955 -14.115 12.503 1.00 0.00 C ATOM 428 O GLY A 33 5.255 -13.125 11.859 1.00 0.00 O ATOM 0 H GLY A 33 3.582 -15.499 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.453 -13.307 14.422 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.082 -13.945 14.317 1.00 0.00 H new ATOM 432 N ILE A 34 4.508 -15.215 11.939 1.00 0.00 N ATOM 433 CA ILE A 34 4.376 -15.333 10.502 1.00 0.00 C ATOM 434 C ILE A 34 2.906 -15.356 10.129 1.00 0.00 C ATOM 435 O ILE A 34 2.130 -16.158 10.657 1.00 0.00 O ATOM 436 CB ILE A 34 5.108 -16.589 9.878 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.642 -16.556 10.086 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.830 -16.663 8.383 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.136 -16.795 11.496 1.00 0.00 C ATOM 0 H ILE A 34 4.227 -16.047 12.458 1.00 0.00 H new ATOM 0 HA ILE A 34 4.874 -14.460 10.080 1.00 0.00 H new ATOM 0 HB ILE A 34 4.714 -17.464 10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.091 -17.306 9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.011 -15.585 9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.338 -17.530 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.757 -16.754 8.217 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.197 -15.757 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.225 -16.747 11.513 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.729 -16.031 12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.811 -17.779 11.834 1.00 0.00 H new ATOM 451 N ILE A 35 2.532 -14.438 9.285 1.00 0.00 N ATOM 452 CA ILE A 35 1.180 -14.302 8.786 1.00 0.00 C ATOM 453 C ILE A 35 0.748 -15.557 8.030 1.00 0.00 C ATOM 454 O ILE A 35 1.290 -15.875 6.959 1.00 0.00 O ATOM 455 CB ILE A 35 1.098 -13.071 7.877 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.493 -11.842 8.702 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.318 -12.917 7.291 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.795 -10.629 7.890 1.00 0.00 C ATOM 0 H ILE A 35 3.173 -13.739 8.910 1.00 0.00 H new ATOM 0 HA ILE A 35 0.502 -14.175 9.630 1.00 0.00 H new ATOM 0 HB ILE A 35 1.780 -13.182 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.684 -11.609 9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.368 -12.089 9.304 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.352 -12.037 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.568 -13.802 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.037 -12.803 8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.065 -9.806 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.625 -10.840 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.916 -10.353 7.308 1.00 0.00 H new ATOM 470 N CYS A 36 -0.205 -16.251 8.608 1.00 0.00 N ATOM 471 CA CYS A 36 -0.721 -17.492 8.089 1.00 0.00 C ATOM 472 C CYS A 36 -1.771 -17.219 7.034 1.00 0.00 C ATOM 473 O CYS A 36 -1.791 -17.856 5.975 1.00 0.00 O ATOM 474 CB CYS A 36 -1.335 -18.300 9.242 1.00 0.00 C ATOM 475 SG CYS A 36 -2.052 -19.890 8.777 1.00 0.00 S ATOM 0 H CYS A 36 -0.654 -15.958 9.476 1.00 0.00 H new ATOM 0 HA CYS A 36 0.090 -18.060 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.564 -18.474 9.992 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.109 -17.696 9.715 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.534 -20.474 9.834 1.00 0.00 H new ATOM 481 N SER A 37 -2.633 -16.273 7.316 1.00 0.00 N ATOM 482 CA SER A 37 -3.685 -15.926 6.418 1.00 0.00 C ATOM 483 C SER A 37 -4.107 -14.485 6.637 1.00 0.00 C ATOM 484 O SER A 37 -3.809 -13.895 7.697 1.00 0.00 O ATOM 485 CB SER A 37 -4.860 -16.893 6.581 1.00 0.00 C ATOM 486 OG SER A 37 -5.300 -16.963 7.933 1.00 0.00 O ATOM 0 H SER A 37 -2.617 -15.727 8.177 1.00 0.00 H new ATOM 0 HA SER A 37 -3.326 -16.013 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.686 -16.573 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.564 -17.886 6.243 1.00 0.00 H new ATOM 0 HG SER A 37 -6.052 -17.588 8.000 1.00 0.00 H new ATOM 492 N LEU A 38 -4.763 -13.925 5.652 1.00 0.00 N ATOM 493 CA LEU A 38 -5.205 -12.558 5.679 1.00 0.00 C ATOM 494 C LEU A 38 -6.702 -12.482 5.402 1.00 0.00 C ATOM 495 O LEU A 38 -7.206 -13.129 4.469 1.00 0.00 O ATOM 496 CB LEU A 38 -4.415 -11.762 4.633 1.00 0.00 C ATOM 497 CG LEU A 38 -4.780 -10.292 4.440 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.655 -9.536 5.731 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.875 -9.677 3.417 1.00 0.00 C ATOM 0 H LEU A 38 -5.008 -14.418 4.793 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.027 -12.130 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.359 -11.814 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.527 -12.265 3.673 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.815 -10.238 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.920 -8.491 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.326 -9.969 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.628 -9.598 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.138 -8.628 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.841 -9.751 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.986 -10.204 2.469 1.00 0.00 H new ATOM 511 N MET A 39 -7.404 -11.715 6.210 1.00 0.00 N ATOM 512 CA MET A 39 -8.835 -11.516 6.072 1.00 0.00 C ATOM 513 C MET A 39 -9.097 -10.598 4.885 1.00 0.00 C ATOM 514 O MET A 39 -8.797 -9.397 4.925 1.00 0.00 O ATOM 515 CB MET A 39 -9.404 -10.930 7.377 1.00 0.00 C ATOM 516 CG MET A 39 -10.894 -10.640 7.396 1.00 0.00 C ATOM 517 SD MET A 39 -11.428 -10.007 9.011 1.00 0.00 S ATOM 518 CE MET A 39 -13.172 -9.739 8.714 1.00 0.00 C ATOM 0 H MET A 39 -6.993 -11.205 6.992 1.00 0.00 H new ATOM 0 HA MET A 39 -9.335 -12.467 5.888 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.181 -11.623 8.188 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.873 -10.003 7.595 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.134 -9.912 6.621 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.446 -11.550 7.160 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.639 -9.349 9.618 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.297 -9.022 7.903 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.644 -10.683 8.440 1.00 0.00 H new ATOM 528 N ARG A 40 -9.600 -11.191 3.829 1.00 0.00 N ATOM 529 CA ARG A 40 -9.870 -10.526 2.565 1.00 0.00 C ATOM 530 C ARG A 40 -10.893 -9.399 2.751 1.00 0.00 C ATOM 531 O ARG A 40 -12.028 -9.640 3.183 1.00 0.00 O ATOM 532 CB ARG A 40 -10.392 -11.573 1.579 1.00 0.00 C ATOM 533 CG ARG A 40 -10.701 -11.080 0.167 1.00 0.00 C ATOM 534 CD ARG A 40 -9.460 -10.582 -0.546 1.00 0.00 C ATOM 535 NE ARG A 40 -9.757 -10.126 -1.912 1.00 0.00 N ATOM 536 CZ ARG A 40 -9.292 -9.001 -2.460 1.00 0.00 C ATOM 537 NH1 ARG A 40 -8.608 -8.152 -1.730 1.00 0.00 N ATOM 538 NH2 ARG A 40 -9.552 -8.708 -3.728 1.00 0.00 N ATOM 0 H ARG A 40 -9.842 -12.182 3.820 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.956 -10.074 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.655 -12.373 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.299 -12.011 1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.150 -11.889 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.437 -10.278 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.019 -9.763 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.718 -11.380 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.364 -10.713 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.432 -8.352 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.252 -7.292 -2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.112 -9.345 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.192 -7.846 -4.136 1.00 0.00 H new ATOM 552 N GLY A 41 -10.480 -8.196 2.437 1.00 0.00 N ATOM 553 CA GLY A 41 -11.333 -7.042 2.582 1.00 0.00 C ATOM 554 C GLY A 41 -11.191 -6.396 3.943 1.00 0.00 C ATOM 555 O GLY A 41 -11.867 -5.399 4.245 1.00 0.00 O ATOM 0 H GLY A 41 -9.549 -7.989 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.091 -6.313 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.371 -7.337 2.428 1.00 0.00 H new ATOM 559 N GLY A 42 -10.314 -6.950 4.756 1.00 0.00 N ATOM 560 CA GLY A 42 -10.111 -6.446 6.098 1.00 0.00 C ATOM 561 C GLY A 42 -9.098 -5.315 6.167 1.00 0.00 C ATOM 562 O GLY A 42 -8.420 -5.005 5.164 1.00 0.00 O ATOM 0 H GLY A 42 -9.731 -7.750 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.064 -6.096 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.778 -7.262 6.739 1.00 0.00 H new ATOM 566 N ILE A 43 -8.951 -4.730 7.357 1.00 0.00 N ATOM 567 CA ILE A 43 -8.040 -3.595 7.563 1.00 0.00 C ATOM 568 C ILE A 43 -6.601 -3.952 7.325 1.00 0.00 C ATOM 569 O ILE A 43 -5.834 -3.128 6.847 1.00 0.00 O ATOM 570 CB ILE A 43 -8.170 -2.875 8.940 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.888 -3.722 9.995 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.779 -1.498 8.795 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.996 -3.045 11.353 1.00 0.00 C ATOM 0 H ILE A 43 -9.451 -5.022 8.197 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.371 -2.884 6.805 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.155 -2.741 9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.890 -3.960 9.637 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.358 -4.667 10.111 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.853 -1.028 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.149 -0.888 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.774 -1.584 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.516 -3.704 12.048 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.997 -2.832 11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.552 -2.113 11.252 1.00 0.00 H new ATOM 585 N ALA A 44 -6.233 -5.172 7.647 1.00 0.00 N ATOM 586 CA ALA A 44 -4.881 -5.645 7.444 1.00 0.00 C ATOM 587 C ALA A 44 -4.525 -5.653 5.968 1.00 0.00 C ATOM 588 O ALA A 44 -3.424 -5.258 5.574 1.00 0.00 O ATOM 589 CB ALA A 44 -4.720 -7.016 8.048 1.00 0.00 C ATOM 0 H ALA A 44 -6.861 -5.864 8.056 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.193 -4.963 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.699 -7.365 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.927 -6.969 9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.417 -7.707 7.573 1.00 0.00 H new ATOM 595 N GLU A 45 -5.476 -6.038 5.147 1.00 0.00 N ATOM 596 CA GLU A 45 -5.258 -6.085 3.728 1.00 0.00 C ATOM 597 C GLU A 45 -5.180 -4.655 3.175 1.00 0.00 C ATOM 598 O GLU A 45 -4.427 -4.372 2.243 1.00 0.00 O ATOM 599 CB GLU A 45 -6.342 -6.922 3.056 1.00 0.00 C ATOM 600 CG GLU A 45 -6.112 -7.165 1.584 1.00 0.00 C ATOM 601 CD GLU A 45 -7.090 -8.140 1.012 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.283 -7.832 0.967 1.00 0.00 O ATOM 603 OE2 GLU A 45 -6.679 -9.203 0.540 1.00 0.00 O ATOM 0 H GLU A 45 -6.409 -6.323 5.444 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.308 -6.572 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.411 -7.883 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.303 -6.423 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.187 -6.220 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.099 -7.538 1.433 1.00 0.00 H new ATOM 610 N ARG A 46 -5.938 -3.762 3.792 1.00 0.00 N ATOM 611 CA ARG A 46 -5.872 -2.317 3.497 1.00 0.00 C ATOM 612 C ARG A 46 -4.513 -1.741 3.929 1.00 0.00 C ATOM 613 O ARG A 46 -3.986 -0.829 3.299 1.00 0.00 O ATOM 614 CB ARG A 46 -7.001 -1.568 4.227 1.00 0.00 C ATOM 615 CG ARG A 46 -8.406 -1.785 3.666 1.00 0.00 C ATOM 616 CD ARG A 46 -8.668 -0.935 2.418 1.00 0.00 C ATOM 617 NE ARG A 46 -7.777 -1.247 1.302 1.00 0.00 N ATOM 618 CZ ARG A 46 -7.163 -0.352 0.518 1.00 0.00 C ATOM 619 NH1 ARG A 46 -7.320 0.961 0.719 1.00 0.00 N ATOM 620 NH2 ARG A 46 -6.392 -0.791 -0.471 1.00 0.00 N ATOM 0 H ARG A 46 -6.619 -4.006 4.512 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.991 -2.185 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.996 -1.871 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.780 -0.501 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.539 -2.839 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.143 -1.541 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.700 -1.080 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.559 0.118 2.676 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.608 -2.233 1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.914 1.293 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.845 1.630 0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.277 -1.793 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.915 -0.126 -1.080 1.00 0.00 H new ATOM 634 N GLY A 47 -3.967 -2.304 5.003 1.00 0.00 N ATOM 635 CA GLY A 47 -2.695 -1.868 5.558 1.00 0.00 C ATOM 636 C GLY A 47 -1.498 -2.360 4.757 1.00 0.00 C ATOM 637 O GLY A 47 -0.375 -1.881 4.936 1.00 0.00 O ATOM 0 H GLY A 47 -4.397 -3.076 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.676 -0.779 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.611 -2.226 6.584 1.00 0.00 H new ATOM 641 N GLY A 48 -1.731 -3.318 3.881 1.00 0.00 N ATOM 642 CA GLY A 48 -0.668 -3.824 3.047 1.00 0.00 C ATOM 643 C GLY A 48 0.001 -5.043 3.638 1.00 0.00 C ATOM 644 O GLY A 48 1.205 -5.259 3.449 1.00 0.00 O ATOM 0 H GLY A 48 -2.640 -3.756 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.069 -4.074 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.076 -3.042 2.898 1.00 0.00 H new ATOM 648 N VAL A 49 -0.761 -5.808 4.387 1.00 0.00 N ATOM 649 CA VAL A 49 -0.295 -7.052 4.971 1.00 0.00 C ATOM 650 C VAL A 49 -0.272 -8.147 3.887 1.00 0.00 C ATOM 651 O VAL A 49 -1.115 -8.159 2.993 1.00 0.00 O ATOM 652 CB VAL A 49 -1.225 -7.472 6.162 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.943 -8.865 6.658 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.069 -6.518 7.317 1.00 0.00 C ATOM 0 H VAL A 49 -1.731 -5.585 4.612 1.00 0.00 H new ATOM 0 HA VAL A 49 0.714 -6.916 5.360 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.243 -7.444 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.616 -9.101 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.097 -9.578 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.089 -8.926 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.722 -6.826 8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.034 -6.525 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.338 -5.512 6.997 1.00 0.00 H new ATOM 664 N ARG A 50 0.709 -9.025 3.951 1.00 0.00 N ATOM 665 CA ARG A 50 0.844 -10.118 3.006 1.00 0.00 C ATOM 666 C ARG A 50 1.173 -11.380 3.737 1.00 0.00 C ATOM 667 O ARG A 50 1.953 -11.382 4.692 1.00 0.00 O ATOM 668 CB ARG A 50 1.913 -9.828 1.945 1.00 0.00 C ATOM 669 CG ARG A 50 1.545 -8.731 0.960 1.00 0.00 C ATOM 670 CD ARG A 50 0.411 -9.142 0.020 1.00 0.00 C ATOM 671 NE ARG A 50 0.782 -10.279 -0.846 1.00 0.00 N ATOM 672 CZ ARG A 50 0.002 -10.833 -1.795 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.168 -10.281 -2.108 1.00 0.00 N ATOM 674 NH2 ARG A 50 0.413 -11.913 -2.453 1.00 0.00 N ATOM 0 H ARG A 50 1.439 -9.001 4.663 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.108 -10.231 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.840 -9.551 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.113 -10.744 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.250 -7.837 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.423 -8.467 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.467 -9.408 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.132 -8.291 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 50 1.710 -10.680 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.477 -9.435 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.755 -10.704 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.321 -12.325 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.180 -12.329 -3.171 1.00 0.00 H new ATOM 688 N VAL A 51 0.584 -12.422 3.279 1.00 0.00 N ATOM 689 CA VAL A 51 0.713 -13.743 3.842 1.00 0.00 C ATOM 690 C VAL A 51 2.088 -14.326 3.521 1.00 0.00 C ATOM 691 O VAL A 51 2.644 -14.084 2.431 1.00 0.00 O ATOM 692 CB VAL A 51 -0.419 -14.635 3.292 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.232 -16.104 3.622 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.751 -14.157 3.820 1.00 0.00 C ATOM 0 H VAL A 51 -0.031 -12.392 2.466 1.00 0.00 H new ATOM 0 HA VAL A 51 0.626 -13.694 4.927 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.390 -14.549 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.061 -16.678 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.705 -16.457 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.206 -16.233 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.546 -14.791 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.750 -14.207 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.919 -13.127 3.505 1.00 0.00 H new ATOM 704 N GLY A 52 2.644 -15.066 4.462 1.00 0.00 N ATOM 705 CA GLY A 52 3.968 -15.617 4.280 1.00 0.00 C ATOM 706 C GLY A 52 5.009 -14.618 4.695 1.00 0.00 C ATOM 707 O GLY A 52 6.172 -14.685 4.294 1.00 0.00 O ATOM 0 H GLY A 52 2.202 -15.296 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.074 -16.529 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.114 -15.893 3.236 1.00 0.00 H new ATOM 711 N HIS A 53 4.578 -13.662 5.462 1.00 0.00 N ATOM 712 CA HIS A 53 5.437 -12.638 5.962 1.00 0.00 C ATOM 713 C HIS A 53 5.641 -12.797 7.433 1.00 0.00 C ATOM 714 O HIS A 53 4.712 -13.115 8.165 1.00 0.00 O ATOM 715 CB HIS A 53 4.895 -11.242 5.654 1.00 0.00 C ATOM 716 CG HIS A 53 5.244 -10.710 4.295 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.530 -9.376 4.053 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.339 -11.331 3.097 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.783 -9.215 2.768 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.674 -10.382 2.171 1.00 0.00 N ATOM 0 H HIS A 53 3.607 -13.573 5.760 1.00 0.00 H new ATOM 0 HA HIS A 53 6.396 -12.742 5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.810 -11.261 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.271 -10.549 6.406 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.543 -8.637 4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.180 -12.382 2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.037 -8.282 2.287 1.00 0.00 H new ATOM 729 N ARG A 54 6.846 -12.575 7.852 1.00 0.00 N ATOM 730 CA ARG A 54 7.217 -12.663 9.232 1.00 0.00 C ATOM 731 C ARG A 54 7.289 -11.270 9.769 1.00 0.00 C ATOM 732 O ARG A 54 8.063 -10.448 9.263 1.00 0.00 O ATOM 733 CB ARG A 54 8.569 -13.375 9.373 1.00 0.00 C ATOM 734 CG ARG A 54 9.149 -13.422 10.784 1.00 0.00 C ATOM 735 CD ARG A 54 10.396 -14.293 10.813 1.00 0.00 C ATOM 736 NE ARG A 54 11.145 -14.172 12.071 1.00 0.00 N ATOM 737 CZ ARG A 54 11.654 -15.196 12.781 1.00 0.00 C ATOM 738 NH1 ARG A 54 11.401 -16.451 12.440 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.434 -14.949 13.825 1.00 0.00 N ATOM 0 H ARG A 54 7.617 -12.322 7.233 1.00 0.00 H new ATOM 0 HA ARG A 54 6.484 -13.242 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.460 -14.397 9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.289 -12.881 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.394 -12.414 11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.406 -13.816 11.477 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.110 -15.334 10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.045 -14.019 9.981 1.00 0.00 H new ATOM 0 HE ARG A 54 11.292 -13.232 12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.814 -16.651 11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.793 -17.217 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.646 -13.986 14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.822 -15.722 14.366 1.00 0.00 H new ATOM 753 N ILE A 55 6.455 -10.985 10.715 1.00 0.00 N ATOM 754 CA ILE A 55 6.434 -9.695 11.336 1.00 0.00 C ATOM 755 C ILE A 55 7.598 -9.587 12.283 1.00 0.00 C ATOM 756 O ILE A 55 7.809 -10.452 13.131 1.00 0.00 O ATOM 757 CB ILE A 55 5.137 -9.436 12.113 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.932 -9.651 11.214 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.130 -8.011 12.680 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.647 -9.330 11.890 1.00 0.00 C ATOM 0 H ILE A 55 5.765 -11.641 11.082 1.00 0.00 H new ATOM 0 HA ILE A 55 6.499 -8.950 10.543 1.00 0.00 H new ATOM 0 HB ILE A 55 5.083 -10.141 12.943 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.034 -9.032 10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.913 -10.689 10.881 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.203 -7.842 13.229 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.978 -7.883 13.352 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.203 -7.294 11.863 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.820 -9.502 11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.528 -9.968 12.766 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.650 -8.285 12.200 1.00 0.00 H new ATOM 772 N ILE A 56 8.357 -8.560 12.112 1.00 0.00 N ATOM 773 CA ILE A 56 9.490 -8.334 12.926 1.00 0.00 C ATOM 774 C ILE A 56 9.283 -7.191 13.887 1.00 0.00 C ATOM 775 O ILE A 56 10.004 -7.071 14.875 1.00 0.00 O ATOM 776 CB ILE A 56 10.765 -8.125 12.108 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.655 -6.878 11.285 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.005 -9.327 11.197 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.899 -6.547 10.578 1.00 0.00 C ATOM 0 H ILE A 56 8.203 -7.850 11.396 1.00 0.00 H new ATOM 0 HA ILE A 56 9.620 -9.244 13.512 1.00 0.00 H new ATOM 0 HB ILE A 56 11.606 -8.022 12.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.851 -6.998 10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.378 -6.045 11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.915 -9.169 10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.112 -10.227 11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.160 -9.444 10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.757 -5.634 9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.700 -6.397 11.302 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.165 -7.364 9.907 1.00 0.00 H new ATOM 791 N GLU A 57 8.267 -6.389 13.655 1.00 0.00 N ATOM 792 CA GLU A 57 8.100 -5.205 14.461 1.00 0.00 C ATOM 793 C GLU A 57 6.670 -4.782 14.441 1.00 0.00 C ATOM 794 O GLU A 57 6.004 -4.974 13.446 1.00 0.00 O ATOM 795 CB GLU A 57 9.013 -4.093 13.935 1.00 0.00 C ATOM 796 CG GLU A 57 9.040 -2.843 14.779 1.00 0.00 C ATOM 797 CD GLU A 57 10.000 -1.812 14.248 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.229 -2.008 14.366 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.549 -0.787 13.697 1.00 0.00 O ATOM 0 H GLU A 57 7.561 -6.531 12.933 1.00 0.00 H new ATOM 0 HA GLU A 57 8.378 -5.417 15.493 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.028 -4.483 13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.694 -3.827 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.038 -2.415 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.319 -3.103 15.800 1.00 0.00 H new ATOM 806 N ILE A 58 6.202 -4.266 15.558 1.00 0.00 N ATOM 807 CA ILE A 58 4.842 -3.790 15.734 1.00 0.00 C ATOM 808 C ILE A 58 4.888 -2.508 16.568 1.00 0.00 C ATOM 809 O ILE A 58 5.473 -2.498 17.637 1.00 0.00 O ATOM 810 CB ILE A 58 3.989 -4.843 16.485 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.911 -6.146 15.695 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.587 -4.310 16.727 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.398 -7.305 16.502 1.00 0.00 C ATOM 0 H ILE A 58 6.774 -4.162 16.396 1.00 0.00 H new ATOM 0 HA ILE A 58 4.394 -3.608 14.757 1.00 0.00 H new ATOM 0 HB ILE A 58 4.470 -5.043 17.443 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.263 -6.000 14.831 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.902 -6.390 15.312 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.999 -5.060 17.255 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.642 -3.402 17.328 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.113 -4.085 15.771 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.369 -8.198 15.878 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.059 -7.477 17.352 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.394 -7.081 16.863 1.00 0.00 H new ATOM 825 N ASN A 59 4.358 -1.425 16.016 1.00 0.00 N ATOM 826 CA ASN A 59 4.291 -0.067 16.651 1.00 0.00 C ATOM 827 C ASN A 59 5.670 0.552 16.863 1.00 0.00 C ATOM 828 O ASN A 59 5.790 1.636 17.443 1.00 0.00 O ATOM 829 CB ASN A 59 3.523 -0.031 17.995 1.00 0.00 C ATOM 830 CG ASN A 59 2.064 -0.428 17.908 1.00 0.00 C ATOM 831 OD1 ASN A 59 1.719 -1.580 18.104 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.198 0.519 17.625 1.00 0.00 N ATOM 0 H ASN A 59 3.943 -1.442 15.084 1.00 0.00 H new ATOM 0 HA ASN A 59 3.730 0.524 15.927 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.023 -0.695 18.700 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.586 0.977 18.406 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.204 0.299 17.564 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.520 1.474 17.466 1.00 0.00 H new ATOM 839 N GLY A 60 6.694 -0.112 16.391 1.00 0.00 N ATOM 840 CA GLY A 60 8.032 0.373 16.579 1.00 0.00 C ATOM 841 C GLY A 60 8.759 -0.455 17.595 1.00 0.00 C ATOM 842 O GLY A 60 9.879 -0.133 18.007 1.00 0.00 O ATOM 0 H GLY A 60 6.624 -0.989 15.875 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.569 0.348 15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.005 1.413 16.903 1.00 0.00 H new ATOM 846 N GLN A 61 8.097 -1.500 18.019 1.00 0.00 N ATOM 847 CA GLN A 61 8.612 -2.465 18.936 1.00 0.00 C ATOM 848 C GLN A 61 8.965 -3.722 18.161 1.00 0.00 C ATOM 849 O GLN A 61 8.096 -4.326 17.539 1.00 0.00 O ATOM 850 CB GLN A 61 7.545 -2.757 19.996 1.00 0.00 C ATOM 851 CG GLN A 61 7.908 -3.846 20.973 1.00 0.00 C ATOM 852 CD GLN A 61 6.836 -4.094 22.030 1.00 0.00 C ATOM 853 OE1 GLN A 61 7.139 -4.490 23.150 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.585 -3.870 21.696 1.00 0.00 N ATOM 0 H GLN A 61 7.144 -1.704 17.718 1.00 0.00 H new ATOM 0 HA GLN A 61 9.507 -2.094 19.436 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.345 -1.841 20.552 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.619 -3.033 19.493 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.088 -4.771 20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.842 -3.583 21.469 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.359 -3.541 20.757 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.840 -4.025 22.375 1.00 0.00 H new ATOM 863 N SER A 62 10.230 -4.073 18.140 1.00 0.00 N ATOM 864 CA SER A 62 10.675 -5.268 17.454 1.00 0.00 C ATOM 865 C SER A 62 10.176 -6.487 18.236 1.00 0.00 C ATOM 866 O SER A 62 10.631 -6.764 19.352 1.00 0.00 O ATOM 867 CB SER A 62 12.215 -5.263 17.303 1.00 0.00 C ATOM 868 OG SER A 62 12.696 -6.364 16.533 1.00 0.00 O ATOM 0 H SER A 62 10.976 -3.545 18.593 1.00 0.00 H new ATOM 0 HA SER A 62 10.263 -5.305 16.446 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.527 -4.331 16.831 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.673 -5.289 18.292 1.00 0.00 H new ATOM 0 HG SER A 62 13.003 -6.043 15.659 1.00 0.00 H new ATOM 874 N VAL A 63 9.220 -7.189 17.662 1.00 0.00 N ATOM 875 CA VAL A 63 8.571 -8.294 18.292 1.00 0.00 C ATOM 876 C VAL A 63 9.070 -9.571 17.683 1.00 0.00 C ATOM 877 O VAL A 63 8.519 -10.640 17.895 1.00 0.00 O ATOM 878 CB VAL A 63 7.049 -8.185 18.085 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.533 -6.880 18.698 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.721 -8.250 16.593 1.00 0.00 C ATOM 0 H VAL A 63 8.873 -6.993 16.723 1.00 0.00 H new ATOM 0 HA VAL A 63 8.790 -8.287 19.360 1.00 0.00 H new ATOM 0 HB VAL A 63 6.556 -9.020 18.583 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.456 -6.809 18.548 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.753 -6.868 19.766 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.023 -6.033 18.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.643 -8.172 16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.214 -7.427 16.076 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.072 -9.197 16.184 1.00 0.00 H new ATOM 890 N VAL A 64 10.150 -9.463 16.965 1.00 0.00 N ATOM 891 CA VAL A 64 10.686 -10.581 16.251 1.00 0.00 C ATOM 892 C VAL A 64 11.269 -11.640 17.197 1.00 0.00 C ATOM 893 O VAL A 64 11.375 -12.824 16.846 1.00 0.00 O ATOM 894 CB VAL A 64 11.705 -10.124 15.198 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.049 -9.754 15.791 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.806 -11.120 14.083 1.00 0.00 C ATOM 0 H VAL A 64 10.682 -8.599 16.859 1.00 0.00 H new ATOM 0 HA VAL A 64 9.862 -11.060 15.722 1.00 0.00 H new ATOM 0 HB VAL A 64 11.329 -9.196 14.767 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.724 -9.440 14.995 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.921 -8.937 16.501 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.471 -10.618 16.304 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.534 -10.773 13.350 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.124 -12.083 14.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.833 -11.230 13.604 1.00 0.00 H new ATOM 906 N ALA A 65 11.600 -11.215 18.399 1.00 0.00 N ATOM 907 CA ALA A 65 12.150 -12.096 19.406 1.00 0.00 C ATOM 908 C ALA A 65 11.104 -12.374 20.480 1.00 0.00 C ATOM 909 O ALA A 65 11.333 -13.141 21.421 1.00 0.00 O ATOM 910 CB ALA A 65 13.376 -11.456 20.005 1.00 0.00 C ATOM 0 H ALA A 65 11.495 -10.248 18.705 1.00 0.00 H new ATOM 0 HA ALA A 65 12.432 -13.046 18.953 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.796 -12.115 20.765 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.116 -11.286 19.223 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.104 -10.504 20.460 1.00 0.00 H new ATOM 916 N THR A 66 9.961 -11.769 20.304 1.00 0.00 N ATOM 917 CA THR A 66 8.869 -11.845 21.186 1.00 0.00 C ATOM 918 C THR A 66 8.140 -13.175 20.955 1.00 0.00 C ATOM 919 O THR A 66 8.021 -13.618 19.805 1.00 0.00 O ATOM 920 CB THR A 66 7.973 -10.629 20.852 1.00 0.00 C ATOM 921 OG1 THR A 66 8.748 -9.443 21.041 1.00 0.00 O ATOM 922 CG2 THR A 66 6.725 -10.555 21.689 1.00 0.00 C ATOM 0 H THR A 66 9.774 -11.182 19.491 1.00 0.00 H new ATOM 0 HA THR A 66 9.162 -11.817 22.235 1.00 0.00 H new ATOM 0 HB THR A 66 7.640 -10.735 19.820 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.157 -8.702 21.291 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.145 -9.678 21.401 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.128 -11.453 21.532 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.997 -10.480 22.742 1.00 0.00 H new ATOM 930 N PRO A 67 7.734 -13.880 22.033 1.00 0.00 N ATOM 931 CA PRO A 67 6.996 -15.134 21.906 1.00 0.00 C ATOM 932 C PRO A 67 5.690 -14.924 21.138 1.00 0.00 C ATOM 933 O PRO A 67 5.072 -13.846 21.232 1.00 0.00 O ATOM 934 CB PRO A 67 6.715 -15.552 23.361 1.00 0.00 C ATOM 935 CG PRO A 67 6.954 -14.331 24.176 1.00 0.00 C ATOM 936 CD PRO A 67 7.985 -13.533 23.440 1.00 0.00 C ATOM 0 HA PRO A 67 7.551 -15.891 21.352 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.691 -15.907 23.477 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.372 -16.365 23.670 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.034 -13.759 24.299 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.304 -14.592 25.175 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.870 -12.464 23.618 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.996 -13.800 23.747 1.00 0.00 H new ATOM 944 N HIS A 68 5.285 -15.944 20.389 1.00 0.00 N ATOM 945 CA HIS A 68 4.098 -15.912 19.530 1.00 0.00 C ATOM 946 C HIS A 68 2.862 -15.389 20.242 1.00 0.00 C ATOM 947 O HIS A 68 2.092 -14.628 19.667 1.00 0.00 O ATOM 948 CB HIS A 68 3.816 -17.304 18.857 1.00 0.00 C ATOM 949 CG HIS A 68 3.370 -18.458 19.755 1.00 0.00 C ATOM 950 ND1 HIS A 68 4.144 -19.568 20.002 1.00 0.00 N ATOM 951 CD2 HIS A 68 2.206 -18.679 20.417 1.00 0.00 C ATOM 952 CE1 HIS A 68 3.483 -20.403 20.769 1.00 0.00 C ATOM 953 NE2 HIS A 68 2.308 -19.889 21.035 1.00 0.00 N ATOM 0 H HIS A 68 5.780 -16.835 20.359 1.00 0.00 H new ATOM 0 HA HIS A 68 4.329 -15.200 18.738 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.050 -17.158 18.096 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.724 -17.615 18.340 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.354 -18.016 20.448 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.848 -21.356 21.122 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.587 -20.324 21.611 1.00 0.00 H new ATOM 962 N GLU A 69 2.708 -15.770 21.493 1.00 0.00 N ATOM 963 CA GLU A 69 1.550 -15.411 22.261 1.00 0.00 C ATOM 964 C GLU A 69 1.544 -13.921 22.549 1.00 0.00 C ATOM 965 O GLU A 69 0.500 -13.282 22.517 1.00 0.00 O ATOM 966 CB GLU A 69 1.524 -16.196 23.545 1.00 0.00 C ATOM 967 CG GLU A 69 0.143 -16.355 24.117 1.00 0.00 C ATOM 968 CD GLU A 69 -0.754 -17.127 23.173 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.319 -16.523 22.232 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.891 -18.347 23.341 1.00 0.00 O ATOM 0 H GLU A 69 3.387 -16.338 22.000 1.00 0.00 H new ATOM 0 HA GLU A 69 0.657 -15.650 21.684 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.952 -17.183 23.368 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.159 -15.700 24.279 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.200 -16.873 25.074 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.288 -15.373 24.312 1.00 0.00 H new ATOM 977 N LYS A 70 2.723 -13.367 22.811 1.00 0.00 N ATOM 978 CA LYS A 70 2.836 -11.953 23.042 1.00 0.00 C ATOM 979 C LYS A 70 2.544 -11.178 21.818 1.00 0.00 C ATOM 980 O LYS A 70 1.783 -10.234 21.874 1.00 0.00 O ATOM 981 CB LYS A 70 4.170 -11.536 23.610 1.00 0.00 C ATOM 982 CG LYS A 70 4.171 -11.494 25.102 1.00 0.00 C ATOM 983 CD LYS A 70 5.414 -10.843 25.623 1.00 0.00 C ATOM 984 CE LYS A 70 5.278 -10.552 27.097 1.00 0.00 C ATOM 985 NZ LYS A 70 5.108 -11.776 27.919 1.00 0.00 N ATOM 0 H LYS A 70 3.602 -13.882 22.866 1.00 0.00 H new ATOM 0 HA LYS A 70 2.085 -11.727 23.799 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.939 -12.230 23.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.434 -10.552 23.222 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.296 -10.948 25.454 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.094 -12.507 25.497 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.272 -11.494 25.452 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.603 -9.917 25.079 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.162 -10.013 27.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.423 -9.894 27.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.139 -11.524 28.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.192 -12.217 27.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.874 -12.446 27.706 1.00 0.00 H new ATOM 999 N ILE A 71 3.120 -11.599 20.706 1.00 0.00 N ATOM 1000 CA ILE A 71 2.903 -10.942 19.424 1.00 0.00 C ATOM 1001 C ILE A 71 1.398 -10.836 19.150 1.00 0.00 C ATOM 1002 O ILE A 71 0.896 -9.782 18.746 1.00 0.00 O ATOM 1003 CB ILE A 71 3.618 -11.702 18.266 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.116 -11.818 18.572 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.416 -10.972 16.944 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.923 -12.550 17.522 1.00 0.00 C ATOM 0 H ILE A 71 3.748 -12.401 20.663 1.00 0.00 H new ATOM 0 HA ILE A 71 3.333 -9.942 19.472 1.00 0.00 H new ATOM 0 HB ILE A 71 3.186 -12.699 18.182 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.527 -10.816 18.692 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.239 -12.329 19.527 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.922 -11.517 16.147 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.351 -10.910 16.722 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.831 -9.967 17.016 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.970 -12.582 17.825 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.545 -13.567 17.416 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.837 -12.029 16.568 1.00 0.00 H new ATOM 1018 N VAL A 72 0.682 -11.900 19.470 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.755 -11.926 19.307 1.00 0.00 C ATOM 1020 C VAL A 72 -1.449 -11.030 20.354 1.00 0.00 C ATOM 1021 O VAL A 72 -2.395 -10.320 20.030 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.303 -13.384 19.369 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.827 -13.422 19.340 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.750 -14.186 18.208 1.00 0.00 C ATOM 0 H VAL A 72 1.079 -12.761 19.846 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.983 -11.526 18.319 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.979 -13.821 20.314 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.166 -14.457 19.385 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.221 -12.874 20.196 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.185 -12.963 18.419 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.135 -15.205 18.254 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.055 -13.725 17.269 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.338 -14.206 18.265 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.920 -11.003 21.577 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.539 -10.245 22.676 1.00 0.00 C ATOM 1036 C HIS A 73 -1.417 -8.754 22.414 1.00 0.00 C ATOM 1037 O HIS A 73 -2.355 -7.977 22.657 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.898 -10.604 24.038 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.569 -9.934 25.213 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.818 -10.283 25.654 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.174 -8.908 25.999 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -3.167 -9.507 26.653 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.190 -8.661 26.886 1.00 0.00 N ATOM 0 H HIS A 73 -0.065 -11.495 21.836 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.594 -10.515 22.721 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.936 -11.685 24.175 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.155 -10.322 24.021 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.233 -8.381 25.940 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.101 -9.556 27.193 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.187 -7.940 27.607 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.269 -8.383 21.923 1.00 0.00 N ATOM 1053 CA ILE A 74 0.054 -7.040 21.573 1.00 0.00 C ATOM 1054 C ILE A 74 -0.815 -6.588 20.412 1.00 0.00 C ATOM 1055 O ILE A 74 -1.502 -5.577 20.512 1.00 0.00 O ATOM 1056 CB ILE A 74 1.555 -6.967 21.243 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.330 -7.248 22.530 1.00 0.00 C ATOM 1058 CG2 ILE A 74 1.931 -5.609 20.666 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.700 -7.801 22.316 1.00 0.00 C ATOM 0 H ILE A 74 0.494 -9.038 21.751 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.146 -6.363 22.404 1.00 0.00 H new ATOM 0 HB ILE A 74 1.803 -7.708 20.483 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.410 -6.323 23.101 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.759 -7.950 23.138 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.998 -5.591 20.444 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.367 -5.434 19.750 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.698 -4.829 21.390 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.179 -7.971 23.280 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.631 -8.744 21.774 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.292 -7.092 21.737 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.846 -7.386 19.343 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.691 -7.084 18.179 1.00 0.00 C ATOM 1073 C LEU A 75 -3.151 -6.983 18.569 1.00 0.00 C ATOM 1074 O LEU A 75 -3.855 -6.094 18.119 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.525 -8.127 17.076 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.207 -8.098 16.325 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.141 -9.245 15.332 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.039 -6.757 15.611 1.00 0.00 C ATOM 0 H LEU A 75 -0.300 -8.243 19.256 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.362 -6.119 17.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.647 -9.116 17.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.333 -7.997 16.356 1.00 0.00 H new ATOM 0 HG LEU A 75 0.608 -8.215 17.039 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.810 -9.212 14.800 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.226 -10.192 15.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.959 -9.155 14.618 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.910 -6.747 15.075 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.857 -6.616 14.904 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.051 -5.950 16.344 1.00 0.00 H new ATOM 1090 N SER A 76 -3.579 -7.872 19.432 1.00 0.00 N ATOM 1091 CA SER A 76 -4.937 -7.920 19.914 1.00 0.00 C ATOM 1092 C SER A 76 -5.349 -6.605 20.601 1.00 0.00 C ATOM 1093 O SER A 76 -6.517 -6.214 20.531 1.00 0.00 O ATOM 1094 CB SER A 76 -5.115 -9.121 20.876 1.00 0.00 C ATOM 1095 OG SER A 76 -6.447 -9.242 21.367 1.00 0.00 O ATOM 0 H SER A 76 -2.980 -8.597 19.827 1.00 0.00 H new ATOM 0 HA SER A 76 -5.594 -8.051 19.054 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.839 -10.039 20.358 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.431 -9.011 21.717 1.00 0.00 H new ATOM 0 HG SER A 76 -6.506 -10.015 21.967 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.398 -5.878 21.188 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.762 -4.706 21.984 1.00 0.00 C ATOM 1103 C ASN A 77 -4.200 -3.387 21.485 1.00 0.00 C ATOM 1104 O ASN A 77 -4.547 -2.330 22.018 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.431 -4.920 23.460 1.00 0.00 C ATOM 1106 CG ASN A 77 -5.273 -6.015 24.068 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -6.386 -5.769 24.547 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.767 -7.225 24.054 1.00 0.00 N ATOM 0 H ASN A 77 -3.398 -6.071 21.131 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.841 -4.612 21.864 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.376 -5.173 23.563 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.592 -3.991 24.007 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.296 -8.003 24.448 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.845 -7.388 23.649 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.359 -3.418 20.487 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.805 -2.186 19.955 1.00 0.00 C ATOM 1117 C ALA A 78 -3.690 -1.659 18.847 1.00 0.00 C ATOM 1118 O ALA A 78 -4.096 -2.412 17.961 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.367 -2.382 19.470 1.00 0.00 C ATOM 0 H ALA A 78 -3.040 -4.269 20.024 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.773 -1.448 20.757 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.984 -1.440 19.078 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.744 -2.709 20.302 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.348 -3.137 18.684 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.029 -0.386 18.917 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.869 0.232 17.916 1.00 0.00 C ATOM 1127 C VAL A 79 -4.170 1.497 17.379 1.00 0.00 C ATOM 1128 O VAL A 79 -3.086 1.863 17.856 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.320 0.571 18.471 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.801 -0.446 19.426 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.484 1.960 19.027 1.00 0.00 C ATOM 0 H VAL A 79 -3.732 0.242 19.664 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.012 -0.479 17.103 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.954 0.544 17.585 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.796 -0.173 19.778 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.845 -1.417 18.932 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.118 -0.501 20.274 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.507 2.092 19.379 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.793 2.103 19.857 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.271 2.691 18.247 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.774 2.145 16.417 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.215 3.329 15.841 1.00 0.00 C ATOM 1143 C GLY A 80 -3.446 3.011 14.609 1.00 0.00 C ATOM 1144 O GLY A 80 -3.757 2.034 13.918 1.00 0.00 O ATOM 0 H GLY A 80 -5.667 1.862 16.014 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.012 4.034 15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.563 3.817 16.565 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.479 3.827 14.318 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.577 3.610 13.237 1.00 0.00 C ATOM 1150 C GLU A 81 -0.496 2.700 13.739 1.00 0.00 C ATOM 1151 O GLU A 81 0.272 3.061 14.631 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.974 4.925 12.812 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.960 5.899 12.249 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.323 7.214 11.968 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.568 7.318 10.987 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.543 8.166 12.717 1.00 0.00 O ATOM 0 H GLU A 81 -2.294 4.683 14.841 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.091 3.170 12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.481 5.380 13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.203 4.734 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.388 5.496 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.782 6.034 12.952 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.439 1.535 13.210 1.00 0.00 N ATOM 1164 CA ILE A 82 0.496 0.569 13.704 1.00 0.00 C ATOM 1165 C ILE A 82 1.505 0.275 12.634 1.00 0.00 C ATOM 1166 O ILE A 82 1.154 -0.209 11.559 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.245 -0.731 14.113 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.348 -0.398 15.139 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.736 -1.756 14.683 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.310 -1.528 15.426 1.00 0.00 C ATOM 0 H ILE A 82 -1.023 1.218 12.436 1.00 0.00 H new ATOM 0 HA ILE A 82 1.002 0.967 14.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.707 -1.169 13.228 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.876 -0.096 16.074 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.915 0.460 14.776 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.196 -2.660 14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.485 -2.000 13.930 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.227 -1.340 15.562 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.048 -1.200 16.158 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.816 -1.818 14.505 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.761 -2.382 15.823 1.00 0.00 H new ATOM 1182 N HIS A 83 2.740 0.593 12.922 1.00 0.00 N ATOM 1183 CA HIS A 83 3.842 0.347 12.014 1.00 0.00 C ATOM 1184 C HIS A 83 4.390 -1.011 12.311 1.00 0.00 C ATOM 1185 O HIS A 83 4.922 -1.245 13.384 1.00 0.00 O ATOM 1186 CB HIS A 83 4.993 1.372 12.191 1.00 0.00 C ATOM 1187 CG HIS A 83 4.699 2.808 11.859 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.360 3.500 10.868 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.864 3.705 12.433 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.943 4.742 10.848 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.036 4.891 11.784 1.00 0.00 N ATOM 0 H HIS A 83 3.017 1.034 13.799 1.00 0.00 H new ATOM 0 HA HIS A 83 3.464 0.432 10.995 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.327 1.328 13.228 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.830 1.048 11.573 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.187 3.516 13.253 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.288 5.513 10.175 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.539 5.757 11.993 1.00 0.00 H new ATOM 1200 N MET A 84 4.211 -1.897 11.420 1.00 0.00 N ATOM 1201 CA MET A 84 4.767 -3.189 11.552 1.00 0.00 C ATOM 1202 C MET A 84 5.778 -3.361 10.478 1.00 0.00 C ATOM 1203 O MET A 84 5.694 -2.720 9.442 1.00 0.00 O ATOM 1204 CB MET A 84 3.741 -4.287 11.378 1.00 0.00 C ATOM 1205 CG MET A 84 2.557 -4.251 12.309 1.00 0.00 C ATOM 1206 SD MET A 84 1.558 -5.737 12.137 1.00 0.00 S ATOM 1207 CE MET A 84 1.549 -5.902 10.356 1.00 0.00 C ATOM 0 H MET A 84 3.670 -1.752 10.567 1.00 0.00 H new ATOM 0 HA MET A 84 5.188 -3.267 12.554 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.371 -4.250 10.353 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.243 -5.247 11.501 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.902 -4.157 13.339 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.948 -3.372 12.096 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.768 -6.603 10.059 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.356 -4.930 9.902 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.517 -6.274 10.020 1.00 0.00 H new ATOM 1217 N LYS A 85 6.693 -4.225 10.680 1.00 0.00 N ATOM 1218 CA LYS A 85 7.674 -4.504 9.689 1.00 0.00 C ATOM 1219 C LYS A 85 7.575 -5.948 9.408 1.00 0.00 C ATOM 1220 O LYS A 85 7.592 -6.755 10.322 1.00 0.00 O ATOM 1221 CB LYS A 85 9.067 -4.174 10.184 1.00 0.00 C ATOM 1222 CG LYS A 85 9.322 -2.745 10.510 1.00 0.00 C ATOM 1223 CD LYS A 85 9.409 -1.922 9.270 1.00 0.00 C ATOM 1224 CE LYS A 85 10.038 -0.615 9.576 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.266 0.201 8.374 1.00 0.00 N ATOM 0 H LYS A 85 6.791 -4.766 11.539 1.00 0.00 H new ATOM 0 HA LYS A 85 7.500 -3.900 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.265 -4.770 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.784 -4.487 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.523 -2.366 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.250 -2.657 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.992 -2.448 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.413 -1.768 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.402 -0.064 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.989 -0.784 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.161 1.208 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.227 0.029 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.572 -0.056 7.643 1.00 0.00 H new ATOM 1239 N THR A 86 7.385 -6.278 8.198 1.00 0.00 N ATOM 1240 CA THR A 86 7.257 -7.644 7.830 1.00 0.00 C ATOM 1241 C THR A 86 8.319 -8.018 6.809 1.00 0.00 C ATOM 1242 O THR A 86 8.644 -7.226 5.938 1.00 0.00 O ATOM 1243 CB THR A 86 5.840 -7.946 7.273 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.623 -7.273 6.013 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.767 -7.503 8.256 1.00 0.00 C ATOM 0 H THR A 86 7.312 -5.617 7.425 1.00 0.00 H new ATOM 0 HA THR A 86 7.401 -8.249 8.725 1.00 0.00 H new ATOM 0 HB THR A 86 5.775 -9.024 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.020 -6.378 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.782 -7.725 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.895 -8.036 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.854 -6.431 8.431 1.00 0.00 H new ATOM 1253 N MET A 87 8.862 -9.200 6.928 1.00 0.00 N ATOM 1254 CA MET A 87 9.854 -9.679 5.982 1.00 0.00 C ATOM 1255 C MET A 87 9.221 -10.847 5.268 1.00 0.00 C ATOM 1256 O MET A 87 8.192 -11.329 5.741 1.00 0.00 O ATOM 1257 CB MET A 87 11.148 -10.125 6.709 1.00 0.00 C ATOM 1258 CG MET A 87 11.822 -9.035 7.526 1.00 0.00 C ATOM 1259 SD MET A 87 13.478 -9.493 8.121 1.00 0.00 S ATOM 1260 CE MET A 87 13.151 -11.076 8.910 1.00 0.00 C ATOM 0 H MET A 87 8.637 -9.859 7.674 1.00 0.00 H new ATOM 0 HA MET A 87 10.142 -8.891 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.910 -10.960 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.856 -10.496 5.968 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.899 -8.133 6.919 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.192 -8.791 8.381 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.852 -11.225 9.732 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.132 -11.086 9.296 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.271 -11.878 8.181 1.00 0.00 H new ATOM 1270 N PRO A 88 9.777 -11.367 4.153 1.00 0.00 N ATOM 1271 CA PRO A 88 9.197 -12.536 3.447 1.00 0.00 C ATOM 1272 C PRO A 88 9.459 -13.852 4.205 1.00 0.00 C ATOM 1273 O PRO A 88 9.570 -14.918 3.600 1.00 0.00 O ATOM 1274 CB PRO A 88 9.944 -12.533 2.113 1.00 0.00 C ATOM 1275 CG PRO A 88 11.254 -11.913 2.418 1.00 0.00 C ATOM 1276 CD PRO A 88 10.977 -10.858 3.443 1.00 0.00 C ATOM 0 HA PRO A 88 8.113 -12.470 3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.065 -13.544 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.403 -11.964 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.958 -12.653 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.700 -11.481 1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.820 -10.728 4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.788 -9.889 2.980 1.00 0.00 H new ATOM 1284 N ALA A 89 9.524 -13.737 5.543 1.00 0.00 N ATOM 1285 CA ALA A 89 9.790 -14.835 6.462 1.00 0.00 C ATOM 1286 C ALA A 89 11.161 -15.444 6.190 1.00 0.00 C ATOM 1287 O ALA A 89 11.401 -16.643 6.386 1.00 0.00 O ATOM 1288 CB ALA A 89 8.659 -15.843 6.404 1.00 0.00 C ATOM 0 H ALA A 89 9.387 -12.846 6.020 1.00 0.00 H new ATOM 0 HA ALA A 89 9.825 -14.460 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.865 -16.661 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.724 -15.358 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.573 -16.236 5.391 1.00 0.00 H new ATOM 1294 N ALA A 90 12.065 -14.577 5.793 1.00 0.00 N ATOM 1295 CA ALA A 90 13.419 -14.911 5.508 1.00 0.00 C ATOM 1296 C ALA A 90 14.301 -13.831 6.102 1.00 0.00 C ATOM 1297 O ALA A 90 14.485 -12.789 5.465 1.00 0.00 O ATOM 1298 CB ALA A 90 13.634 -15.018 4.005 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.783 -14.004 7.238 1.00 0.00 O ATOM 0 H ALA A 90 11.858 -13.587 5.659 1.00 0.00 H new ATOM 0 HA ALA A 90 13.670 -15.878 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.674 -15.274 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.984 -15.793 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.398 -14.063 3.535 1.00 0.00 H new TER 1305 ALA A 90