USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 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 59 GLN : amide:sc= 0.335 K(o=0.97,f=-0.062) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.631 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0618 (180deg=-0.0618) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 75:sc= 0.87 USER MOD Single : A 8 SER OG : rot 73:sc= 0.863 USER MOD Single : A 12 SER OG : rot 74:sc= 0.926 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= 0.00956 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -72:sc= 0.614 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 0.557 (180deg=0.318) USER MOD Single : A 51 SER OG : rot -39:sc= 0.556 USER MOD Single : A 54 SER OG : rot -144:sc= 1.32 USER MOD Single : A 57 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.803 K(o=0.8,f=-0.028) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0454 X(o=-0.045,f=-0.045) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 81 HIS : no HE2:sc= 0.464 K(o=0.46,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.606 17.095 -10.858 1.00 1.00 N ATOM 2 CA GLY A 1 19.177 15.705 -11.037 1.00 1.00 C ATOM 3 C GLY A 1 18.337 15.138 -9.882 1.00 1.00 C ATOM 4 O GLY A 1 17.873 13.999 -9.959 1.00 1.00 O ATOM 0 H1 GLY A 1 20.165 17.394 -11.682 1.00 1.00 H new ATOM 0 H2 GLY A 1 18.770 17.707 -10.766 1.00 1.00 H new ATOM 0 H3 GLY A 1 20.187 17.171 -9.999 1.00 1.00 H new ATOM 0 HA2 GLY A 1 18.599 15.633 -11.958 1.00 1.00 H new ATOM 0 HA3 GLY A 1 20.061 15.080 -11.166 1.00 1.00 H new ATOM 8 N SER A 2 18.110 15.917 -8.820 1.00 1.00 N ATOM 9 CA SER A 2 17.337 15.517 -7.631 1.00 1.00 C ATOM 10 C SER A 2 15.916 15.034 -7.949 1.00 1.00 C ATOM 11 O SER A 2 15.448 14.072 -7.340 1.00 1.00 O ATOM 12 CB SER A 2 17.290 16.667 -6.617 1.00 1.00 C ATOM 13 OG SER A 2 16.781 17.852 -7.215 1.00 1.00 O ATOM 0 H SER A 2 18.467 16.870 -8.758 1.00 1.00 H new ATOM 0 HA SER A 2 17.860 14.662 -7.203 1.00 1.00 H new ATOM 0 HB2 SER A 2 16.664 16.385 -5.770 1.00 1.00 H new ATOM 0 HB3 SER A 2 18.290 16.853 -6.226 1.00 1.00 H new ATOM 0 HG SER A 2 16.759 18.571 -6.549 1.00 1.00 H new ATOM 19 N HIS A 3 15.251 15.618 -8.950 1.00 1.00 N ATOM 20 CA HIS A 3 13.924 15.187 -9.410 1.00 1.00 C ATOM 21 C HIS A 3 13.905 13.740 -9.943 1.00 1.00 C ATOM 22 O HIS A 3 12.921 13.025 -9.748 1.00 1.00 O ATOM 23 CB HIS A 3 13.415 16.163 -10.482 1.00 1.00 C ATOM 24 CG HIS A 3 13.356 17.601 -10.020 1.00 1.00 C ATOM 25 ND1 HIS A 3 13.987 18.674 -10.610 1.00 1.00 N ATOM 26 CD2 HIS A 3 12.663 18.085 -8.941 1.00 1.00 C ATOM 27 CE1 HIS A 3 13.686 19.778 -9.905 1.00 1.00 C ATOM 28 NE2 HIS A 3 12.875 19.471 -8.876 1.00 1.00 N ATOM 0 H HIS A 3 15.622 16.413 -9.471 1.00 1.00 H new ATOM 0 HA HIS A 3 13.261 15.199 -8.545 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.063 16.098 -11.356 1.00 1.00 H new ATOM 0 HB3 HIS A 3 12.420 15.852 -10.800 1.00 1.00 H new ATOM 0 HD2 HIS A 3 12.060 17.502 -8.260 1.00 1.00 H new ATOM 0 HE1 HIS A 3 14.044 20.771 -10.132 1.00 1.00 H new ATOM 0 HE2 HIS A 3 12.491 20.117 -8.186 1.00 1.00 H new ATOM 36 N MET A 4 14.995 13.276 -10.568 1.00 1.00 N ATOM 37 CA MET A 4 15.140 11.884 -11.016 1.00 1.00 C ATOM 38 C MET A 4 15.369 10.925 -9.837 1.00 1.00 C ATOM 39 O MET A 4 14.842 9.812 -9.840 1.00 1.00 O ATOM 40 CB MET A 4 16.288 11.790 -12.036 1.00 1.00 C ATOM 41 CG MET A 4 16.347 10.416 -12.715 1.00 1.00 C ATOM 42 SD MET A 4 17.636 10.280 -13.983 1.00 1.00 S ATOM 43 CE MET A 4 17.364 8.561 -14.496 1.00 1.00 C ATOM 0 H MET A 4 15.805 13.858 -10.778 1.00 1.00 H new ATOM 0 HA MET A 4 14.209 11.578 -11.494 1.00 1.00 H new ATOM 0 HB2 MET A 4 16.163 12.563 -12.794 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.235 11.986 -11.534 1.00 1.00 H new ATOM 0 HG2 MET A 4 16.516 9.653 -11.955 1.00 1.00 H new ATOM 0 HG3 MET A 4 15.379 10.204 -13.170 1.00 1.00 H new ATOM 0 HE1 MET A 4 18.075 8.298 -15.279 1.00 1.00 H new ATOM 0 HE2 MET A 4 17.505 7.900 -13.641 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.348 8.451 -14.876 1.00 1.00 H new ATOM 53 N LEU A 5 16.100 11.356 -8.804 1.00 1.00 N ATOM 54 CA LEU A 5 16.286 10.585 -7.566 1.00 1.00 C ATOM 55 C LEU A 5 14.972 10.459 -6.773 1.00 1.00 C ATOM 56 O LEU A 5 14.642 9.374 -6.293 1.00 1.00 O ATOM 57 CB LEU A 5 17.390 11.225 -6.701 1.00 1.00 C ATOM 58 CG LEU A 5 18.775 11.304 -7.373 1.00 1.00 C ATOM 59 CD1 LEU A 5 19.760 12.006 -6.437 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.345 9.927 -7.718 1.00 1.00 C ATOM 0 H LEU A 5 16.583 12.254 -8.801 1.00 1.00 H new ATOM 0 HA LEU A 5 16.596 9.577 -7.841 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.078 12.232 -6.426 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.483 10.656 -5.776 1.00 1.00 H new ATOM 0 HG LEU A 5 18.642 11.860 -8.301 1.00 1.00 H new ATOM 0 HD11 LEU A 5 20.739 12.061 -6.914 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.403 13.014 -6.223 1.00 1.00 H new ATOM 0 HD13 LEU A 5 19.841 11.444 -5.506 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.321 10.045 -8.189 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.450 9.338 -6.807 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.670 9.416 -8.405 1.00 1.00 H new ATOM 72 N GLU A 6 14.182 11.533 -6.694 1.00 1.00 N ATOM 73 CA GLU A 6 12.829 11.514 -6.120 1.00 1.00 C ATOM 74 C GLU A 6 11.884 10.601 -6.917 1.00 1.00 C ATOM 75 O GLU A 6 11.176 9.784 -6.325 1.00 1.00 O ATOM 76 CB GLU A 6 12.257 12.939 -6.062 1.00 1.00 C ATOM 77 CG GLU A 6 12.939 13.805 -4.994 1.00 1.00 C ATOM 78 CD GLU A 6 12.406 15.243 -5.033 1.00 1.00 C ATOM 79 OE1 GLU A 6 12.819 16.003 -5.943 1.00 1.00 O ATOM 80 OE2 GLU A 6 11.577 15.590 -4.156 1.00 1.00 O ATOM 0 H GLU A 6 14.465 12.453 -7.031 1.00 1.00 H new ATOM 0 HA GLU A 6 12.906 11.113 -5.110 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.372 13.413 -7.037 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.188 12.889 -5.856 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.766 13.376 -4.007 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.017 13.808 -5.156 1.00 1.00 H new ATOM 87 N SER A 7 11.920 10.666 -8.254 1.00 1.00 N ATOM 88 CA SER A 7 11.159 9.754 -9.123 1.00 1.00 C ATOM 89 C SER A 7 11.560 8.290 -8.904 1.00 1.00 C ATOM 90 O SER A 7 10.694 7.421 -8.808 1.00 1.00 O ATOM 91 CB SER A 7 11.341 10.111 -10.603 1.00 1.00 C ATOM 92 OG SER A 7 10.859 11.417 -10.881 1.00 1.00 O ATOM 0 H SER A 7 12.476 11.351 -8.765 1.00 1.00 H new ATOM 0 HA SER A 7 10.110 9.873 -8.852 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.396 10.046 -10.868 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.812 9.386 -11.222 1.00 1.00 H new ATOM 0 HG SER A 7 11.491 12.080 -10.533 1.00 1.00 H new ATOM 98 N SER A 8 12.858 8.013 -8.748 1.00 1.00 N ATOM 99 CA SER A 8 13.379 6.668 -8.456 1.00 1.00 C ATOM 100 C SER A 8 12.922 6.149 -7.087 1.00 1.00 C ATOM 101 O SER A 8 12.570 4.975 -6.965 1.00 1.00 O ATOM 102 CB SER A 8 14.912 6.644 -8.524 1.00 1.00 C ATOM 103 OG SER A 8 15.374 7.009 -9.815 1.00 1.00 O ATOM 0 H SER A 8 13.587 8.722 -8.821 1.00 1.00 H new ATOM 0 HA SER A 8 12.970 6.008 -9.222 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.322 7.328 -7.781 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.274 5.647 -8.274 1.00 1.00 H new ATOM 0 HG SER A 8 15.242 7.971 -9.950 1.00 1.00 H new ATOM 109 N ALA A 9 12.870 7.011 -6.065 1.00 1.00 N ATOM 110 CA ALA A 9 12.334 6.669 -4.746 1.00 1.00 C ATOM 111 C ALA A 9 10.818 6.386 -4.782 1.00 1.00 C ATOM 112 O ALA A 9 10.356 5.418 -4.179 1.00 1.00 O ATOM 113 CB ALA A 9 12.672 7.805 -3.772 1.00 1.00 C ATOM 0 H ALA A 9 13.202 7.973 -6.133 1.00 1.00 H new ATOM 0 HA ALA A 9 12.798 5.743 -4.407 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.279 7.566 -2.784 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.754 7.924 -3.714 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.223 8.733 -4.126 1.00 1.00 H new ATOM 119 N GLU A 10 10.039 7.180 -5.524 1.00 1.00 N ATOM 120 CA GLU A 10 8.600 6.951 -5.725 1.00 1.00 C ATOM 121 C GLU A 10 8.312 5.656 -6.506 1.00 1.00 C ATOM 122 O GLU A 10 7.418 4.897 -6.135 1.00 1.00 O ATOM 123 CB GLU A 10 7.968 8.156 -6.441 1.00 1.00 C ATOM 124 CG GLU A 10 7.854 9.380 -5.523 1.00 1.00 C ATOM 125 CD GLU A 10 7.315 10.595 -6.290 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.070 10.720 -6.393 1.00 1.00 O ATOM 127 OE2 GLU A 10 8.141 11.404 -6.779 1.00 1.00 O ATOM 0 H GLU A 10 10.390 8.007 -6.007 1.00 1.00 H new ATOM 0 HA GLU A 10 8.151 6.835 -4.738 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.568 8.413 -7.314 1.00 1.00 H new ATOM 0 HB3 GLU A 10 6.977 7.882 -6.804 1.00 1.00 H new ATOM 0 HG2 GLU A 10 7.194 9.151 -4.687 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.831 9.616 -5.102 1.00 1.00 H new ATOM 134 N GLU A 11 9.096 5.351 -7.544 1.00 1.00 N ATOM 135 CA GLU A 11 9.014 4.077 -8.273 1.00 1.00 C ATOM 136 C GLU A 11 9.432 2.876 -7.408 1.00 1.00 C ATOM 137 O GLU A 11 8.825 1.807 -7.497 1.00 1.00 O ATOM 138 CB GLU A 11 9.877 4.142 -9.544 1.00 1.00 C ATOM 139 CG GLU A 11 9.240 5.018 -10.632 1.00 1.00 C ATOM 140 CD GLU A 11 10.188 5.194 -11.826 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.255 4.264 -12.665 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.848 6.259 -11.910 1.00 1.00 O ATOM 0 H GLU A 11 9.810 5.983 -7.906 1.00 1.00 H new ATOM 0 HA GLU A 11 7.969 3.927 -8.545 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.862 4.536 -9.293 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.026 3.134 -9.932 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.307 4.565 -10.968 1.00 1.00 H new ATOM 0 HG3 GLU A 11 8.989 5.994 -10.216 1.00 1.00 H new ATOM 149 N SER A 12 10.415 3.050 -6.517 1.00 1.00 N ATOM 150 CA SER A 12 10.789 2.028 -5.529 1.00 1.00 C ATOM 151 C SER A 12 9.669 1.783 -4.514 1.00 1.00 C ATOM 152 O SER A 12 9.397 0.635 -4.164 1.00 1.00 O ATOM 153 CB SER A 12 12.076 2.409 -4.787 1.00 1.00 C ATOM 154 OG SER A 12 13.169 2.520 -5.685 1.00 1.00 O ATOM 0 H SER A 12 10.974 3.901 -6.459 1.00 1.00 H new ATOM 0 HA SER A 12 10.961 1.107 -6.086 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.932 3.355 -4.265 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.299 1.658 -4.029 1.00 1.00 H new ATOM 0 HG SER A 12 13.083 3.346 -6.205 1.00 1.00 H new ATOM 160 N LEU A 13 8.960 2.830 -4.077 1.00 1.00 N ATOM 161 CA LEU A 13 7.795 2.703 -3.196 1.00 1.00 C ATOM 162 C LEU A 13 6.620 2.021 -3.916 1.00 1.00 C ATOM 163 O LEU A 13 5.968 1.154 -3.338 1.00 1.00 O ATOM 164 CB LEU A 13 7.452 4.100 -2.637 1.00 1.00 C ATOM 165 CG LEU A 13 6.389 4.205 -1.522 1.00 1.00 C ATOM 166 CD1 LEU A 13 4.948 4.119 -2.030 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.588 3.178 -0.405 1.00 1.00 C ATOM 0 H LEU A 13 9.180 3.794 -4.326 1.00 1.00 H new ATOM 0 HA LEU A 13 8.024 2.050 -2.354 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.374 4.542 -2.259 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.121 4.719 -3.471 1.00 1.00 H new ATOM 0 HG LEU A 13 6.544 5.204 -1.115 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.260 4.200 -1.188 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.761 4.932 -2.732 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.796 3.164 -2.532 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.810 3.304 0.348 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.532 2.172 -0.821 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.565 3.326 0.055 1.00 1.00 H new ATOM 179 N ALA A 14 6.392 2.324 -5.198 1.00 1.00 N ATOM 180 CA ALA A 14 5.411 1.611 -6.021 1.00 1.00 C ATOM 181 C ALA A 14 5.745 0.111 -6.163 1.00 1.00 C ATOM 182 O ALA A 14 4.845 -0.726 -6.098 1.00 1.00 O ATOM 183 CB ALA A 14 5.300 2.308 -7.382 1.00 1.00 C ATOM 0 H ALA A 14 6.882 3.069 -5.693 1.00 1.00 H new ATOM 0 HA ALA A 14 4.442 1.648 -5.523 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.572 1.784 -8.001 1.00 1.00 H new ATOM 0 HB2 ALA A 14 4.978 3.339 -7.237 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.271 2.297 -7.877 1.00 1.00 H new ATOM 189 N TYR A 15 7.028 -0.252 -6.282 1.00 1.00 N ATOM 190 CA TYR A 15 7.480 -1.650 -6.250 1.00 1.00 C ATOM 191 C TYR A 15 7.268 -2.316 -4.874 1.00 1.00 C ATOM 192 O TYR A 15 6.783 -3.448 -4.808 1.00 1.00 O ATOM 193 CB TYR A 15 8.949 -1.726 -6.684 1.00 1.00 C ATOM 194 CG TYR A 15 9.470 -3.146 -6.766 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.062 -3.978 -7.826 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.321 -3.650 -5.761 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.500 -5.315 -7.884 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.763 -4.986 -5.819 1.00 1.00 C ATOM 199 CZ TYR A 15 10.353 -5.824 -6.880 1.00 1.00 C ATOM 200 OH TYR A 15 10.782 -7.116 -6.925 1.00 1.00 O ATOM 0 H TYR A 15 7.787 0.419 -6.404 1.00 1.00 H new ATOM 0 HA TYR A 15 6.866 -2.213 -6.953 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.060 -1.248 -7.657 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.560 -1.161 -5.980 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.412 -3.590 -8.596 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.634 -3.012 -4.947 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.183 -5.952 -8.697 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.417 -5.371 -5.050 1.00 1.00 H new ATOM 0 HH TYR A 15 11.362 -7.295 -6.156 1.00 1.00 H new ATOM 210 N ARG A 16 7.554 -1.611 -3.768 1.00 1.00 N ATOM 211 CA ARG A 16 7.256 -2.073 -2.395 1.00 1.00 C ATOM 212 C ARG A 16 5.760 -2.304 -2.171 1.00 1.00 C ATOM 213 O ARG A 16 5.380 -3.282 -1.532 1.00 1.00 O ATOM 214 CB ARG A 16 7.788 -1.071 -1.353 1.00 1.00 C ATOM 215 CG ARG A 16 9.323 -1.045 -1.263 1.00 1.00 C ATOM 216 CD ARG A 16 9.836 0.125 -0.412 1.00 1.00 C ATOM 217 NE ARG A 16 9.349 0.065 0.979 1.00 1.00 N ATOM 218 CZ ARG A 16 9.446 1.029 1.881 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.024 2.175 1.631 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.956 0.859 3.078 1.00 1.00 N ATOM 0 H ARG A 16 8.003 -0.695 -3.798 1.00 1.00 H new ATOM 0 HA ARG A 16 7.764 -3.030 -2.271 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.429 -0.073 -1.603 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.378 -1.322 -0.375 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.676 -1.984 -0.836 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.743 -0.973 -2.266 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.926 0.121 -0.413 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.521 1.065 -0.864 1.00 1.00 H new ATOM 0 HE ARG A 16 8.895 -0.800 1.273 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.423 2.355 0.710 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.076 2.889 2.357 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.497 -0.019 3.321 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.032 1.604 3.771 1.00 1.00 H new ATOM 234 N GLU A 17 4.905 -1.439 -2.714 1.00 1.00 N ATOM 235 CA GLU A 17 3.453 -1.625 -2.716 1.00 1.00 C ATOM 236 C GLU A 17 3.020 -2.811 -3.589 1.00 1.00 C ATOM 237 O GLU A 17 2.209 -3.616 -3.148 1.00 1.00 O ATOM 238 CB GLU A 17 2.777 -0.314 -3.147 1.00 1.00 C ATOM 239 CG GLU A 17 1.260 -0.327 -2.921 1.00 1.00 C ATOM 240 CD GLU A 17 0.636 1.013 -3.321 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.635 1.334 -4.533 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.160 1.729 -2.413 1.00 1.00 O ATOM 0 H GLU A 17 5.204 -0.578 -3.171 1.00 1.00 H new ATOM 0 HA GLU A 17 3.131 -1.873 -1.705 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.216 0.515 -2.592 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.981 -0.135 -4.203 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.809 -1.131 -3.503 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.046 -0.534 -1.872 1.00 1.00 H new ATOM 249 N ASP A 18 3.590 -2.992 -4.783 1.00 1.00 N ATOM 250 CA ASP A 18 3.304 -4.151 -5.639 1.00 1.00 C ATOM 251 C ASP A 18 3.729 -5.495 -5.014 1.00 1.00 C ATOM 252 O ASP A 18 3.112 -6.519 -5.299 1.00 1.00 O ATOM 253 CB ASP A 18 3.955 -3.948 -7.012 1.00 1.00 C ATOM 254 CG ASP A 18 3.483 -5.007 -8.011 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.257 -5.042 -8.273 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.339 -5.769 -8.519 1.00 1.00 O ATOM 0 H ASP A 18 4.263 -2.340 -5.186 1.00 1.00 H new ATOM 0 HA ASP A 18 2.221 -4.211 -5.751 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.712 -2.955 -7.389 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.040 -3.995 -6.914 1.00 1.00 H new ATOM 261 N ASP A 19 4.720 -5.516 -4.116 1.00 1.00 N ATOM 262 CA ASP A 19 5.045 -6.705 -3.313 1.00 1.00 C ATOM 263 C ASP A 19 3.876 -7.154 -2.408 1.00 1.00 C ATOM 264 O ASP A 19 3.714 -8.350 -2.152 1.00 1.00 O ATOM 265 CB ASP A 19 6.321 -6.460 -2.496 1.00 1.00 C ATOM 266 CG ASP A 19 6.808 -7.739 -1.806 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.379 -8.605 -2.511 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.610 -7.852 -0.572 1.00 1.00 O ATOM 0 H ASP A 19 5.319 -4.713 -3.924 1.00 1.00 H new ATOM 0 HA ASP A 19 5.222 -7.527 -4.007 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.105 -6.079 -3.151 1.00 1.00 H new ATOM 0 HB3 ASP A 19 6.131 -5.692 -1.746 1.00 1.00 H new ATOM 273 N LEU A 20 3.031 -6.219 -1.950 1.00 1.00 N ATOM 274 CA LEU A 20 1.827 -6.507 -1.153 1.00 1.00 C ATOM 275 C LEU A 20 0.758 -7.301 -1.932 1.00 1.00 C ATOM 276 O LEU A 20 -0.139 -7.877 -1.315 1.00 1.00 O ATOM 277 CB LEU A 20 1.218 -5.206 -0.593 1.00 1.00 C ATOM 278 CG LEU A 20 2.188 -4.253 0.124 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.461 -2.972 0.537 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.830 -4.886 1.360 1.00 1.00 C ATOM 0 H LEU A 20 3.167 -5.223 -2.126 1.00 1.00 H new ATOM 0 HA LEU A 20 2.153 -7.141 -0.328 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.752 -4.664 -1.416 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.423 -5.473 0.103 1.00 1.00 H new ATOM 0 HG LEU A 20 2.984 -4.025 -0.585 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.158 -2.305 1.044 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.064 -2.477 -0.349 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.641 -3.220 1.211 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.505 -4.169 1.827 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.052 -5.168 2.070 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.390 -5.773 1.065 1.00 1.00 H new ATOM 292 N ARG A 21 0.858 -7.384 -3.269 1.00 1.00 N ATOM 293 CA ARG A 21 -0.032 -8.192 -4.132 1.00 1.00 C ATOM 294 C ARG A 21 -0.070 -9.681 -3.737 1.00 1.00 C ATOM 295 O ARG A 21 -1.072 -10.362 -3.945 1.00 1.00 O ATOM 296 CB ARG A 21 0.386 -8.016 -5.605 1.00 1.00 C ATOM 297 CG ARG A 21 -0.717 -8.419 -6.595 1.00 1.00 C ATOM 298 CD ARG A 21 -0.209 -8.549 -8.034 1.00 1.00 C ATOM 299 NE ARG A 21 0.140 -7.241 -8.622 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.224 -6.786 -9.808 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.939 -7.483 -10.652 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.125 -5.586 -10.172 1.00 1.00 N ATOM 0 H ARG A 21 1.574 -6.882 -3.795 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.049 -7.825 -3.993 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.658 -6.975 -5.778 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.276 -8.615 -5.798 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.151 -9.369 -6.281 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.516 -7.678 -6.563 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.666 -9.198 -8.051 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.974 -9.028 -8.646 1.00 1.00 H new ATOM 0 HE ARG A 21 0.722 -6.625 -8.054 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.243 -8.425 -10.407 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.193 -7.084 -11.556 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.677 -5.002 -9.543 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.153 -5.229 -11.086 1.00 1.00 H new ATOM 316 N GLY A 22 0.997 -10.188 -3.115 1.00 1.00 N ATOM 317 CA GLY A 22 1.089 -11.567 -2.619 1.00 1.00 C ATOM 318 C GLY A 22 0.493 -11.798 -1.221 1.00 1.00 C ATOM 319 O GLY A 22 0.768 -12.839 -0.621 1.00 1.00 O ATOM 0 H GLY A 22 1.840 -9.642 -2.937 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.584 -12.225 -3.326 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.138 -11.862 -2.603 1.00 1.00 H new ATOM 323 N ARG A 23 -0.289 -10.848 -0.682 1.00 1.00 N ATOM 324 CA ARG A 23 -0.827 -10.872 0.692 1.00 1.00 C ATOM 325 C ARG A 23 -2.332 -10.593 0.755 1.00 1.00 C ATOM 326 O ARG A 23 -2.926 -9.996 -0.146 1.00 1.00 O ATOM 327 CB ARG A 23 -0.072 -9.863 1.572 1.00 1.00 C ATOM 328 CG ARG A 23 1.417 -10.205 1.708 1.00 1.00 C ATOM 329 CD ARG A 23 2.034 -9.297 2.772 1.00 1.00 C ATOM 330 NE ARG A 23 3.472 -9.562 2.972 1.00 1.00 N ATOM 331 CZ ARG A 23 4.466 -9.173 2.189 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.276 -8.522 1.074 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.705 -9.432 2.506 1.00 1.00 N ATOM 0 H ARG A 23 -0.573 -10.018 -1.203 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.677 -11.884 1.068 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.175 -8.865 1.146 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.528 -9.836 2.562 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.540 -11.251 1.987 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.925 -10.068 0.753 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.896 -8.256 2.481 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.507 -9.437 3.716 1.00 1.00 H new ATOM 0 HE ARG A 23 3.726 -10.101 3.800 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.329 -8.292 0.773 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.074 -8.243 0.504 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.916 -9.939 3.365 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.462 -9.127 1.895 1.00 1.00 H new ATOM 347 N LEU A 24 -2.933 -11.017 1.866 1.00 1.00 N ATOM 348 CA LEU A 24 -4.311 -10.691 2.241 1.00 1.00 C ATOM 349 C LEU A 24 -4.375 -9.291 2.880 1.00 1.00 C ATOM 350 O LEU A 24 -3.401 -8.785 3.443 1.00 1.00 O ATOM 351 CB LEU A 24 -4.845 -11.739 3.247 1.00 1.00 C ATOM 352 CG LEU A 24 -5.240 -13.138 2.735 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.319 -13.086 1.656 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.067 -13.957 2.200 1.00 1.00 C ATOM 0 H LEU A 24 -2.464 -11.612 2.549 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.927 -10.701 1.342 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.084 -11.874 4.016 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.719 -11.309 3.736 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.629 -13.635 3.623 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.559 -14.099 1.332 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.214 -12.613 2.059 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.956 -12.509 0.805 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.427 -14.928 1.859 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.604 -13.428 1.367 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.332 -14.100 2.992 1.00 1.00 H new ATOM 366 N GLY A 25 -5.569 -8.710 2.859 1.00 1.00 N ATOM 367 CA GLY A 25 -5.936 -7.446 3.488 1.00 1.00 C ATOM 368 C GLY A 25 -7.324 -7.475 4.134 1.00 1.00 C ATOM 369 O GLY A 25 -7.987 -8.513 4.186 1.00 1.00 O ATOM 0 H GLY A 25 -6.357 -9.136 2.371 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.194 -7.196 4.247 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.907 -6.653 2.740 1.00 1.00 H new ATOM 373 N LYS A 26 -7.759 -6.317 4.629 1.00 1.00 N ATOM 374 CA LYS A 26 -8.937 -6.098 5.473 1.00 1.00 C ATOM 375 C LYS A 26 -9.576 -4.751 5.143 1.00 1.00 C ATOM 376 O LYS A 26 -8.951 -3.704 5.316 1.00 1.00 O ATOM 377 CB LYS A 26 -8.457 -6.173 6.931 1.00 1.00 C ATOM 378 CG LYS A 26 -9.523 -5.906 8.005 1.00 1.00 C ATOM 379 CD LYS A 26 -10.780 -6.786 7.906 1.00 1.00 C ATOM 380 CE LYS A 26 -10.497 -8.293 7.798 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.727 -8.810 8.949 1.00 1.00 N ATOM 0 H LYS A 26 -7.264 -5.445 4.439 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.706 -6.851 5.300 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.036 -7.163 7.104 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.648 -5.455 7.064 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.072 -6.052 8.987 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.824 -4.860 7.944 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.402 -6.608 8.783 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.358 -6.475 7.036 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.442 -8.832 7.726 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.946 -8.491 6.879 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.063 -9.764 9.191 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.718 -8.851 8.701 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -9.857 -8.179 9.765 1.00 1.00 H new ATOM 395 N VAL A 27 -10.794 -4.789 4.607 1.00 1.00 N ATOM 396 CA VAL A 27 -11.554 -3.596 4.182 1.00 1.00 C ATOM 397 C VAL A 27 -12.104 -2.837 5.395 1.00 1.00 C ATOM 398 O VAL A 27 -12.694 -3.444 6.292 1.00 1.00 O ATOM 399 CB VAL A 27 -12.679 -3.984 3.193 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.534 -2.794 2.748 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.035 -4.582 1.939 1.00 1.00 C ATOM 0 H VAL A 27 -11.297 -5.662 4.449 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.873 -2.925 3.658 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.330 -4.688 3.712 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.303 -3.137 2.056 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.006 -2.339 3.619 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.902 -2.057 2.252 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.813 -4.862 1.229 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.375 -3.845 1.482 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.458 -5.465 2.212 1.00 1.00 H new ATOM 411 N ILE A 28 -11.951 -1.508 5.398 1.00 1.00 N ATOM 412 CA ILE A 28 -12.430 -0.601 6.464 1.00 1.00 C ATOM 413 C ILE A 28 -13.367 0.517 5.961 1.00 1.00 C ATOM 414 O ILE A 28 -14.025 1.179 6.762 1.00 1.00 O ATOM 415 CB ILE A 28 -11.269 0.000 7.289 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.346 0.928 6.461 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.528 -1.099 8.074 1.00 1.00 C ATOM 418 CD1 ILE A 28 -9.066 0.299 5.919 1.00 1.00 C ATOM 0 H ILE A 28 -11.478 -1.014 4.641 1.00 1.00 H new ATOM 0 HA ILE A 28 -13.026 -1.238 7.117 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.703 0.669 8.032 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.919 1.318 5.619 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.072 1.781 7.082 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.715 -0.652 8.647 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -11.223 -1.592 8.754 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -10.121 -1.832 7.378 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.504 1.045 5.357 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.459 -0.064 6.749 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.319 -0.534 5.263 1.00 1.00 H new ATOM 430 N THR A 29 -13.476 0.698 4.643 1.00 1.00 N ATOM 431 CA THR A 29 -14.476 1.560 3.987 1.00 1.00 C ATOM 432 C THR A 29 -14.993 0.791 2.779 1.00 1.00 C ATOM 433 O THR A 29 -14.193 0.291 1.990 1.00 1.00 O ATOM 434 CB THR A 29 -13.891 2.919 3.558 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.343 3.608 4.663 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.926 3.838 2.911 1.00 1.00 C ATOM 0 H THR A 29 -12.855 0.237 3.978 1.00 1.00 H new ATOM 0 HA THR A 29 -15.278 1.792 4.687 1.00 1.00 H new ATOM 0 HB THR A 29 -13.121 2.681 2.825 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.977 4.467 4.364 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.453 4.779 2.631 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.333 3.358 2.021 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.732 4.034 3.619 1.00 1.00 H new ATOM 444 N ALA A 30 -16.315 0.655 2.667 1.00 1.00 N ATOM 445 CA ALA A 30 -16.977 -0.226 1.708 1.00 1.00 C ATOM 446 C ALA A 30 -16.571 0.017 0.243 1.00 1.00 C ATOM 447 O ALA A 30 -16.423 1.156 -0.203 1.00 1.00 O ATOM 448 CB ALA A 30 -18.493 -0.092 1.890 1.00 1.00 C ATOM 0 H ALA A 30 -16.970 1.168 3.256 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.650 -1.244 1.920 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -19.004 -0.744 1.181 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.764 -0.378 2.906 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.791 0.941 1.712 1.00 1.00 H new ATOM 454 N VAL A 31 -16.461 -1.077 -0.510 1.00 1.00 N ATOM 455 CA VAL A 31 -16.029 -1.127 -1.913 1.00 1.00 C ATOM 456 C VAL A 31 -17.140 -1.804 -2.731 1.00 1.00 C ATOM 457 O VAL A 31 -17.186 -3.034 -2.780 1.00 1.00 O ATOM 458 CB VAL A 31 -14.692 -1.891 -2.061 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.159 -1.763 -3.488 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.578 -1.420 -1.118 1.00 1.00 C ATOM 0 H VAL A 31 -16.682 -2.002 -0.142 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.857 -0.115 -2.281 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.937 -2.921 -1.801 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.218 -2.306 -3.575 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.885 -2.180 -4.186 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.994 -0.711 -3.722 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.679 -2.012 -1.293 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.362 -0.368 -1.306 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.900 -1.545 -0.084 1.00 1.00 H new ATOM 470 N PRO A 32 -18.095 -1.060 -3.319 1.00 1.00 N ATOM 471 CA PRO A 32 -19.182 -1.662 -4.090 1.00 1.00 C ATOM 472 C PRO A 32 -18.702 -2.185 -5.453 1.00 1.00 C ATOM 473 O PRO A 32 -17.560 -1.954 -5.852 1.00 1.00 O ATOM 474 CB PRO A 32 -20.248 -0.570 -4.200 1.00 1.00 C ATOM 475 CG PRO A 32 -19.416 0.701 -4.223 1.00 1.00 C ATOM 476 CD PRO A 32 -18.239 0.388 -3.291 1.00 1.00 C ATOM 0 HA PRO A 32 -19.587 -2.549 -3.603 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.848 -0.678 -5.103 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.937 -0.589 -3.355 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -19.075 0.937 -5.231 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.988 1.559 -3.870 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.328 0.880 -3.631 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.434 0.743 -2.279 1.00 1.00 H new ATOM 484 N VAL A 33 -19.589 -2.875 -6.182 1.00 1.00 N ATOM 485 CA VAL A 33 -19.285 -3.640 -7.417 1.00 1.00 C ATOM 486 C VAL A 33 -18.632 -2.844 -8.559 1.00 1.00 C ATOM 487 O VAL A 33 -18.142 -3.437 -9.517 1.00 1.00 O ATOM 488 CB VAL A 33 -20.548 -4.340 -7.971 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.301 -5.145 -6.903 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.535 -3.365 -8.628 1.00 1.00 C ATOM 0 H VAL A 33 -20.575 -2.923 -5.926 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.542 -4.363 -7.082 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.164 -5.022 -8.729 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.178 -5.613 -7.351 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.645 -5.916 -6.498 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.616 -4.479 -6.100 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.400 -3.916 -8.997 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.861 -2.627 -7.894 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.046 -2.858 -9.460 1.00 1.00 H new ATOM 500 N ASP A 34 -18.660 -1.513 -8.493 1.00 1.00 N ATOM 501 CA ASP A 34 -18.132 -0.578 -9.494 1.00 1.00 C ATOM 502 C ASP A 34 -17.553 0.707 -8.851 1.00 1.00 C ATOM 503 O ASP A 34 -17.511 1.762 -9.490 1.00 1.00 O ATOM 504 CB ASP A 34 -19.236 -0.266 -10.527 1.00 1.00 C ATOM 505 CG ASP A 34 -20.342 0.674 -10.014 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.765 0.528 -8.841 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.788 1.536 -10.810 1.00 1.00 O ATOM 0 H ASP A 34 -19.074 -1.029 -7.697 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.293 -1.050 -10.006 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.776 0.182 -11.408 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.692 -1.203 -10.847 1.00 1.00 H new ATOM 512 N GLY A 35 -17.153 0.638 -7.574 1.00 1.00 N ATOM 513 CA GLY A 35 -16.782 1.798 -6.748 1.00 1.00 C ATOM 514 C GLY A 35 -15.468 1.648 -5.974 1.00 1.00 C ATOM 515 O GLY A 35 -14.683 0.725 -6.206 1.00 1.00 O ATOM 0 H GLY A 35 -17.076 -0.247 -7.073 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.709 2.675 -7.391 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.585 1.990 -6.037 1.00 1.00 H new ATOM 519 N PHE A 36 -15.245 2.577 -5.039 1.00 1.00 N ATOM 520 CA PHE A 36 -14.000 2.736 -4.280 1.00 1.00 C ATOM 521 C PHE A 36 -14.264 2.799 -2.767 1.00 1.00 C ATOM 522 O PHE A 36 -15.257 3.379 -2.319 1.00 1.00 O ATOM 523 CB PHE A 36 -13.253 4.017 -4.700 1.00 1.00 C ATOM 524 CG PHE A 36 -12.989 4.217 -6.183 1.00 1.00 C ATOM 525 CD1 PHE A 36 -14.022 4.654 -7.037 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.696 4.025 -6.705 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.776 4.849 -8.407 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.446 4.230 -8.075 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.488 4.634 -8.928 1.00 1.00 C ATOM 0 H PHE A 36 -15.953 3.264 -4.780 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.387 1.862 -4.502 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.824 4.873 -4.341 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.294 4.033 -4.182 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.008 4.840 -6.636 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.892 3.719 -6.052 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.577 5.164 -9.060 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.453 4.077 -8.471 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.299 4.779 -9.981 1.00 1.00 H new ATOM 539 N GLY A 37 -13.335 2.248 -1.988 1.00 1.00 N ATOM 540 CA GLY A 37 -13.293 2.293 -0.523 1.00 1.00 C ATOM 541 C GLY A 37 -11.849 2.209 -0.020 1.00 1.00 C ATOM 542 O GLY A 37 -10.942 2.731 -0.667 1.00 1.00 O ATOM 0 H GLY A 37 -12.549 1.730 -2.380 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.753 3.215 -0.169 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.875 1.468 -0.112 1.00 1.00 H new ATOM 546 N GLU A 38 -11.610 1.563 1.122 1.00 1.00 N ATOM 547 CA GLU A 38 -10.292 1.505 1.782 1.00 1.00 C ATOM 548 C GLU A 38 -9.994 0.127 2.381 1.00 1.00 C ATOM 549 O GLU A 38 -10.887 -0.570 2.867 1.00 1.00 O ATOM 550 CB GLU A 38 -10.197 2.523 2.931 1.00 1.00 C ATOM 551 CG GLU A 38 -10.214 4.005 2.545 1.00 1.00 C ATOM 552 CD GLU A 38 -8.940 4.492 1.846 1.00 1.00 C ATOM 553 OE1 GLU A 38 -7.837 4.272 2.401 1.00 1.00 O ATOM 554 OE2 GLU A 38 -9.066 5.133 0.775 1.00 1.00 O ATOM 0 H GLU A 38 -12.335 1.055 1.628 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.569 1.730 0.998 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -11.026 2.341 3.615 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.278 2.327 3.484 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -11.066 4.187 1.890 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.371 4.600 3.444 1.00 1.00 H new ATOM 561 N VAL A 39 -8.707 -0.216 2.412 1.00 1.00 N ATOM 562 CA VAL A 39 -8.157 -1.511 2.851 1.00 1.00 C ATOM 563 C VAL A 39 -6.820 -1.328 3.585 1.00 1.00 C ATOM 564 O VAL A 39 -6.113 -0.346 3.370 1.00 1.00 O ATOM 565 CB VAL A 39 -8.006 -2.437 1.620 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.822 -2.066 0.716 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.884 -3.917 1.987 1.00 1.00 C ATOM 0 H VAL A 39 -7.976 0.432 2.117 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.843 -1.972 3.561 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.934 -2.280 1.070 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.777 -2.757 -0.126 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.952 -1.049 0.345 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.895 -2.128 1.286 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.781 -4.510 1.078 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -7.007 -4.064 2.618 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.777 -4.233 2.527 1.00 1.00 H new ATOM 577 N VAL A 40 -6.452 -2.303 4.416 1.00 1.00 N ATOM 578 CA VAL A 40 -5.126 -2.461 5.062 1.00 1.00 C ATOM 579 C VAL A 40 -4.639 -3.884 4.802 1.00 1.00 C ATOM 580 O VAL A 40 -5.462 -4.792 4.743 1.00 1.00 O ATOM 581 CB VAL A 40 -5.139 -2.265 6.599 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.789 -1.723 7.079 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.228 -1.327 7.107 1.00 1.00 C ATOM 0 H VAL A 40 -7.096 -3.049 4.678 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.483 -1.690 4.636 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.345 -3.255 7.005 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.814 -1.591 8.161 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.000 -2.428 6.818 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.591 -0.764 6.601 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.163 -1.248 8.192 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.095 -0.341 6.663 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.206 -1.721 6.830 1.00 1.00 H new ATOM 593 N ILE A 41 -3.334 -4.122 4.668 1.00 1.00 N ATOM 594 CA ILE A 41 -2.791 -5.494 4.633 1.00 1.00 C ATOM 595 C ILE A 41 -2.924 -6.142 6.024 1.00 1.00 C ATOM 596 O ILE A 41 -2.949 -5.454 7.044 1.00 1.00 O ATOM 597 CB ILE A 41 -1.335 -5.456 4.120 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.274 -4.967 2.658 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.572 -6.789 4.240 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.033 -5.804 1.620 1.00 1.00 C ATOM 0 H ILE A 41 -2.629 -3.390 4.582 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.360 -6.115 3.941 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.833 -4.751 4.782 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.661 -3.949 2.623 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.227 -4.920 2.358 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.440 -6.665 3.855 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.528 -7.090 5.287 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.088 -7.557 3.663 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.912 -5.357 0.633 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.635 -6.819 1.610 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.091 -5.832 1.879 1.00 1.00 H new ATOM 612 N GLU A 42 -3.034 -7.473 6.075 1.00 1.00 N ATOM 613 CA GLU A 42 -3.302 -8.239 7.313 1.00 1.00 C ATOM 614 C GLU A 42 -2.248 -8.072 8.430 1.00 1.00 C ATOM 615 O GLU A 42 -2.532 -8.374 9.590 1.00 1.00 O ATOM 616 CB GLU A 42 -3.514 -9.728 6.977 1.00 1.00 C ATOM 617 CG GLU A 42 -4.947 -10.046 6.525 1.00 1.00 C ATOM 618 CD GLU A 42 -5.934 -10.059 7.702 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.473 -8.978 8.033 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.144 -11.152 8.280 1.00 1.00 O ATOM 0 H GLU A 42 -2.939 -8.065 5.249 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.214 -7.811 7.729 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.818 -10.019 6.190 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.274 -10.330 7.854 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.268 -9.306 5.791 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.963 -11.016 6.028 1.00 1.00 H new ATOM 627 N GLY A 43 -1.062 -7.537 8.120 1.00 1.00 N ATOM 628 CA GLY A 43 -0.037 -7.111 9.085 1.00 1.00 C ATOM 629 C GLY A 43 -0.392 -5.798 9.796 1.00 1.00 C ATOM 630 O GLY A 43 0.438 -4.892 9.860 1.00 1.00 O ATOM 0 H GLY A 43 -0.777 -7.382 7.153 1.00 1.00 H new ATOM 0 HA2 GLY A 43 0.101 -7.895 9.829 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.915 -6.992 8.567 1.00 1.00 H new ATOM 634 N ILE A 44 -1.634 -5.654 10.274 1.00 1.00 N ATOM 635 CA ILE A 44 -2.237 -4.411 10.794 1.00 1.00 C ATOM 636 C ILE A 44 -1.412 -3.635 11.844 1.00 1.00 C ATOM 637 O ILE A 44 -1.553 -2.416 11.950 1.00 1.00 O ATOM 638 CB ILE A 44 -3.710 -4.624 11.229 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.009 -5.864 12.102 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.601 -4.716 9.977 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.250 -5.931 13.430 1.00 1.00 C ATOM 0 H ILE A 44 -2.283 -6.440 10.312 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.227 -3.738 9.936 1.00 1.00 H new ATOM 0 HB ILE A 44 -3.922 -3.760 11.859 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.078 -5.890 12.312 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.776 -6.759 11.524 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.638 -4.866 10.278 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.520 -3.792 9.404 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.277 -5.555 9.361 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -3.532 -6.838 13.965 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -2.177 -5.942 13.236 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.500 -5.060 14.036 1.00 1.00 H new ATOM 653 N GLY A 45 -0.535 -4.305 12.600 1.00 1.00 N ATOM 654 CA GLY A 45 0.368 -3.688 13.584 1.00 1.00 C ATOM 655 C GLY A 45 1.624 -3.020 12.995 1.00 1.00 C ATOM 656 O GLY A 45 2.378 -2.390 13.740 1.00 1.00 O ATOM 0 H GLY A 45 -0.429 -5.318 12.545 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.191 -2.941 14.147 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.682 -4.453 14.294 1.00 1.00 H new ATOM 660 N GLY A 46 1.864 -3.143 11.682 1.00 1.00 N ATOM 661 CA GLY A 46 3.063 -2.642 10.994 1.00 1.00 C ATOM 662 C GLY A 46 2.858 -2.299 9.509 1.00 1.00 C ATOM 663 O GLY A 46 3.804 -2.386 8.723 1.00 1.00 O ATOM 0 H GLY A 46 1.211 -3.607 11.051 1.00 1.00 H new ATOM 0 HA2 GLY A 46 3.417 -1.751 11.513 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.851 -3.391 11.074 1.00 1.00 H new ATOM 667 N THR A 47 1.638 -1.920 9.117 1.00 1.00 N ATOM 668 CA THR A 47 1.230 -1.580 7.737 1.00 1.00 C ATOM 669 C THR A 47 0.355 -0.313 7.702 1.00 1.00 C ATOM 670 O THR A 47 0.014 0.251 8.746 1.00 1.00 O ATOM 671 CB THR A 47 0.487 -2.757 7.079 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.578 -3.187 7.886 1.00 1.00 O ATOM 673 CG2 THR A 47 1.387 -3.964 6.801 1.00 1.00 C ATOM 0 H THR A 47 0.867 -1.836 9.779 1.00 1.00 H new ATOM 0 HA THR A 47 2.139 -1.378 7.170 1.00 1.00 H new ATOM 0 HB THR A 47 0.125 -2.373 6.125 1.00 1.00 H new ATOM 0 HG1 THR A 47 -0.225 -3.654 8.672 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.800 -4.757 6.337 1.00 1.00 H new ATOM 0 HG22 THR A 47 2.193 -3.670 6.129 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.809 -4.326 7.738 1.00 1.00 H new ATOM 681 N ILE A 48 0.015 0.167 6.498 1.00 1.00 N ATOM 682 CA ILE A 48 -0.653 1.459 6.246 1.00 1.00 C ATOM 683 C ILE A 48 -1.862 1.239 5.319 1.00 1.00 C ATOM 684 O ILE A 48 -1.782 0.467 4.360 1.00 1.00 O ATOM 685 CB ILE A 48 0.372 2.463 5.649 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.501 2.764 6.668 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.309 3.770 5.200 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.626 3.665 6.143 1.00 1.00 C ATOM 0 H ILE A 48 0.203 -0.350 5.639 1.00 1.00 H new ATOM 0 HA ILE A 48 -1.026 1.884 7.178 1.00 1.00 H new ATOM 0 HB ILE A 48 0.811 1.997 4.767 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.060 3.234 7.547 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.935 1.819 6.995 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.439 4.447 4.788 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -1.056 3.548 4.438 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.793 4.241 6.056 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.367 3.817 6.928 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.100 3.191 5.283 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.212 4.628 5.844 1.00 1.00 H new ATOM 700 N SER A 49 -2.986 1.904 5.605 1.00 1.00 N ATOM 701 CA SER A 49 -4.212 1.841 4.795 1.00 1.00 C ATOM 702 C SER A 49 -4.063 2.521 3.423 1.00 1.00 C ATOM 703 O SER A 49 -3.327 3.499 3.269 1.00 1.00 O ATOM 704 CB SER A 49 -5.398 2.460 5.552 1.00 1.00 C ATOM 705 OG SER A 49 -5.081 3.755 6.044 1.00 1.00 O ATOM 0 H SER A 49 -3.073 2.512 6.419 1.00 1.00 H new ATOM 0 HA SER A 49 -4.401 0.783 4.614 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.262 2.522 4.890 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.679 1.813 6.383 1.00 1.00 H new ATOM 0 HG SER A 49 -5.855 4.123 6.519 1.00 1.00 H new ATOM 711 N LYS A 50 -4.791 2.013 2.420 1.00 1.00 N ATOM 712 CA LYS A 50 -4.786 2.475 1.018 1.00 1.00 C ATOM 713 C LYS A 50 -6.199 2.423 0.428 1.00 1.00 C ATOM 714 O LYS A 50 -7.047 1.663 0.908 1.00 1.00 O ATOM 715 CB LYS A 50 -3.856 1.579 0.171 1.00 1.00 C ATOM 716 CG LYS A 50 -2.397 1.461 0.650 1.00 1.00 C ATOM 717 CD LYS A 50 -1.596 2.764 0.497 1.00 1.00 C ATOM 718 CE LYS A 50 -0.229 2.675 1.187 1.00 1.00 C ATOM 719 NZ LYS A 50 0.631 1.638 0.579 1.00 1.00 N ATOM 0 H LYS A 50 -5.431 1.232 2.567 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.427 3.504 1.000 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.286 0.578 0.135 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.851 1.961 -0.850 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.390 1.160 1.698 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.901 0.670 0.088 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.456 2.982 -0.562 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.164 3.592 0.921 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.271 3.642 1.127 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.370 2.454 2.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.628 1.844 0.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.378 0.707 0.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.493 1.633 -0.452 1.00 1.00 H new ATOM 733 N SER A 51 -6.451 3.184 -0.637 1.00 1.00 N ATOM 734 CA SER A 51 -7.703 3.084 -1.401 1.00 1.00 C ATOM 735 C SER A 51 -7.821 1.727 -2.098 1.00 1.00 C ATOM 736 O SER A 51 -6.814 1.113 -2.464 1.00 1.00 O ATOM 737 CB SER A 51 -7.833 4.218 -2.426 1.00 1.00 C ATOM 738 OG SER A 51 -7.670 5.486 -1.810 1.00 1.00 O ATOM 0 H SER A 51 -5.801 3.883 -0.996 1.00 1.00 H new ATOM 0 HA SER A 51 -8.520 3.178 -0.686 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.085 4.092 -3.209 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.810 4.167 -2.907 1.00 1.00 H new ATOM 0 HG SER A 51 -8.104 5.481 -0.931 1.00 1.00 H new ATOM 744 N ALA A 52 -9.055 1.263 -2.296 1.00 1.00 N ATOM 745 CA ALA A 52 -9.343 -0.074 -2.812 1.00 1.00 C ATOM 746 C ALA A 52 -10.516 -0.097 -3.807 1.00 1.00 C ATOM 747 O ALA A 52 -11.489 0.639 -3.631 1.00 1.00 O ATOM 748 CB ALA A 52 -9.619 -1.000 -1.623 1.00 1.00 C ATOM 0 H ALA A 52 -9.892 1.812 -2.100 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.475 -0.418 -3.374 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.837 -2.004 -1.987 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.743 -1.031 -0.975 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.474 -0.625 -1.060 1.00 1.00 H new ATOM 754 N VAL A 53 -10.441 -0.985 -4.807 1.00 1.00 N ATOM 755 CA VAL A 53 -11.492 -1.256 -5.812 1.00 1.00 C ATOM 756 C VAL A 53 -11.802 -2.754 -5.933 1.00 1.00 C ATOM 757 O VAL A 53 -10.957 -3.603 -5.645 1.00 1.00 O ATOM 758 CB VAL A 53 -11.145 -0.676 -7.200 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.019 0.847 -7.144 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.867 -1.252 -7.821 1.00 1.00 C ATOM 0 H VAL A 53 -9.612 -1.562 -4.949 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.385 -0.748 -5.448 1.00 1.00 H new ATOM 0 HB VAL A 53 -11.977 -0.971 -7.839 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.774 1.229 -8.135 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.964 1.278 -6.812 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.229 1.121 -6.444 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.696 -0.792 -8.794 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.020 -1.045 -7.168 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -9.976 -2.330 -7.943 1.00 1.00 H new ATOM 770 N SER A 54 -13.019 -3.086 -6.364 1.00 1.00 N ATOM 771 CA SER A 54 -13.556 -4.450 -6.465 1.00 1.00 C ATOM 772 C SER A 54 -13.156 -5.141 -7.781 1.00 1.00 C ATOM 773 O SER A 54 -13.833 -5.028 -8.805 1.00 1.00 O ATOM 774 CB SER A 54 -15.081 -4.400 -6.282 1.00 1.00 C ATOM 775 OG SER A 54 -15.659 -3.392 -7.094 1.00 1.00 O ATOM 0 H SER A 54 -13.691 -2.381 -6.667 1.00 1.00 H new ATOM 0 HA SER A 54 -13.120 -5.058 -5.672 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.513 -5.368 -6.536 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.319 -4.209 -5.235 1.00 1.00 H new ATOM 0 HG SER A 54 -16.415 -2.985 -6.622 1.00 1.00 H new ATOM 781 N PHE A 55 -12.039 -5.877 -7.767 1.00 1.00 N ATOM 782 CA PHE A 55 -11.479 -6.539 -8.959 1.00 1.00 C ATOM 783 C PHE A 55 -12.458 -7.507 -9.650 1.00 1.00 C ATOM 784 O PHE A 55 -12.500 -7.595 -10.877 1.00 1.00 O ATOM 785 CB PHE A 55 -10.208 -7.292 -8.556 1.00 1.00 C ATOM 786 CG PHE A 55 -9.465 -7.928 -9.721 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.547 -7.171 -10.477 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.683 -9.282 -10.048 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.842 -7.767 -11.539 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.976 -9.877 -11.109 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.054 -9.121 -11.852 1.00 1.00 C ATOM 0 H PHE A 55 -11.490 -6.034 -6.922 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.263 -5.756 -9.686 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.537 -6.602 -8.045 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.472 -8.070 -7.839 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.384 -6.130 -10.240 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.395 -9.864 -9.482 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.138 -7.184 -12.114 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.142 -10.916 -11.352 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.508 -9.580 -12.663 1.00 1.00 H new ATOM 801 N ASP A 56 -13.272 -8.212 -8.856 1.00 1.00 N ATOM 802 CA ASP A 56 -14.214 -9.242 -9.314 1.00 1.00 C ATOM 803 C ASP A 56 -15.670 -8.723 -9.399 1.00 1.00 C ATOM 804 O ASP A 56 -16.616 -9.513 -9.399 1.00 1.00 O ATOM 805 CB ASP A 56 -14.047 -10.464 -8.391 1.00 1.00 C ATOM 806 CG ASP A 56 -14.794 -11.712 -8.885 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.546 -12.124 -10.044 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.590 -12.272 -8.095 1.00 1.00 O ATOM 0 H ASP A 56 -13.295 -8.078 -7.845 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.985 -9.533 -10.339 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -12.986 -10.698 -8.299 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.404 -10.208 -7.394 1.00 1.00 H new ATOM 813 N ASN A 57 -15.863 -7.395 -9.438 1.00 1.00 N ATOM 814 CA ASN A 57 -17.165 -6.711 -9.407 1.00 1.00 C ATOM 815 C ASN A 57 -18.090 -7.209 -8.273 1.00 1.00 C ATOM 816 O ASN A 57 -19.270 -7.497 -8.483 1.00 1.00 O ATOM 817 CB ASN A 57 -17.818 -6.739 -10.805 1.00 1.00 C ATOM 818 CG ASN A 57 -17.028 -5.972 -11.850 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.359 -6.536 -12.706 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.093 -4.660 -11.826 1.00 1.00 N ATOM 0 H ASN A 57 -15.082 -6.741 -9.494 1.00 1.00 H new ATOM 0 HA ASN A 57 -16.988 -5.665 -9.156 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -17.925 -7.775 -11.128 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.822 -6.320 -10.738 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.586 -4.111 -12.521 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.650 -4.190 -11.113 1.00 1.00 H new ATOM 827 N GLN A 58 -17.541 -7.321 -7.058 1.00 1.00 N ATOM 828 CA GLN A 58 -18.264 -7.721 -5.843 1.00 1.00 C ATOM 829 C GLN A 58 -18.448 -6.526 -4.897 1.00 1.00 C ATOM 830 O GLN A 58 -17.637 -5.602 -4.894 1.00 1.00 O ATOM 831 CB GLN A 58 -17.498 -8.839 -5.114 1.00 1.00 C ATOM 832 CG GLN A 58 -17.260 -10.101 -5.957 1.00 1.00 C ATOM 833 CD GLN A 58 -18.545 -10.708 -6.520 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.449 -11.106 -5.796 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.689 -10.790 -7.826 1.00 1.00 N ATOM 0 H GLN A 58 -16.554 -7.131 -6.887 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.247 -8.087 -6.140 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.534 -8.449 -4.787 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.051 -9.116 -4.216 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.591 -9.857 -6.782 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.753 -10.847 -5.345 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -17.945 -10.463 -8.443 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.544 -11.181 -8.221 1.00 1.00 H new ATOM 844 N GLN A 59 -19.500 -6.553 -4.076 1.00 1.00 N ATOM 845 CA GLN A 59 -19.703 -5.580 -2.998 1.00 1.00 C ATOM 846 C GLN A 59 -18.943 -6.067 -1.750 1.00 1.00 C ATOM 847 O GLN A 59 -19.150 -7.194 -1.293 1.00 1.00 O ATOM 848 CB GLN A 59 -21.218 -5.410 -2.754 1.00 1.00 C ATOM 849 CG GLN A 59 -21.629 -4.072 -2.109 1.00 1.00 C ATOM 850 CD GLN A 59 -21.012 -3.831 -0.733 1.00 1.00 C ATOM 851 OE1 GLN A 59 -20.120 -3.012 -0.559 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.443 -4.551 0.280 1.00 1.00 N ATOM 0 H GLN A 59 -20.239 -7.253 -4.140 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.309 -4.598 -3.261 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.738 -5.511 -3.707 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.561 -6.224 -2.116 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.341 -3.257 -2.773 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.715 -4.042 -2.019 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.187 -5.235 0.140 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -21.034 -4.425 1.206 1.00 1.00 H new ATOM 861 N ILE A 60 -18.053 -5.232 -1.211 1.00 1.00 N ATOM 862 CA ILE A 60 -17.103 -5.576 -0.143 1.00 1.00 C ATOM 863 C ILE A 60 -17.265 -4.588 1.019 1.00 1.00 C ATOM 864 O ILE A 60 -16.680 -3.504 1.026 1.00 1.00 O ATOM 865 CB ILE A 60 -15.636 -5.656 -0.651 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.488 -6.121 -2.122 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.885 -6.596 0.299 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.047 -6.161 -2.648 1.00 1.00 C ATOM 0 H ILE A 60 -17.968 -4.262 -1.515 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.336 -6.579 0.216 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.218 -4.650 -0.648 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.921 -7.116 -2.218 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.073 -5.456 -2.758 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.846 -6.683 -0.020 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.921 -6.195 1.312 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.353 -7.580 0.282 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.047 -6.498 -3.685 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.611 -5.164 -2.591 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.458 -6.850 -2.043 1.00 1.00 H new ATOM 880 N SER A 61 -18.116 -4.942 1.981 1.00 1.00 N ATOM 881 CA SER A 61 -18.376 -4.154 3.196 1.00 1.00 C ATOM 882 C SER A 61 -17.178 -4.108 4.163 1.00 1.00 C ATOM 883 O SER A 61 -16.213 -4.869 4.037 1.00 1.00 O ATOM 884 CB SER A 61 -19.586 -4.742 3.936 1.00 1.00 C ATOM 885 OG SER A 61 -20.728 -4.740 3.094 1.00 1.00 O ATOM 0 H SER A 61 -18.659 -5.804 1.941 1.00 1.00 H new ATOM 0 HA SER A 61 -18.567 -3.132 2.869 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.365 -5.760 4.257 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.788 -4.161 4.836 1.00 1.00 H new ATOM 0 HG SER A 61 -21.492 -5.119 3.577 1.00 1.00 H new ATOM 891 N TYR A 62 -17.268 -3.235 5.173 1.00 1.00 N ATOM 892 CA TYR A 62 -16.353 -3.178 6.322 1.00 1.00 C ATOM 893 C TYR A 62 -16.171 -4.555 6.993 1.00 1.00 C ATOM 894 O TYR A 62 -17.132 -5.315 7.148 1.00 1.00 O ATOM 895 CB TYR A 62 -16.925 -2.163 7.335 1.00 1.00 C ATOM 896 CG TYR A 62 -16.279 -2.170 8.713 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.737 -3.061 9.707 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.225 -1.286 9.008 1.00 1.00 C ATOM 899 CE1 TYR A 62 -16.123 -3.090 10.974 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.607 -1.309 10.273 1.00 1.00 C ATOM 901 CZ TYR A 62 -15.051 -2.215 11.260 1.00 1.00 C ATOM 902 OH TYR A 62 -14.449 -2.233 12.481 1.00 1.00 O ATOM 0 H TYR A 62 -18.001 -2.527 5.216 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.367 -2.869 5.973 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.827 -1.163 6.913 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.991 -2.357 7.453 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.563 -3.724 9.495 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.888 -0.585 8.259 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -16.472 -3.781 11.727 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.793 -0.633 10.488 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.731 -1.566 12.502 1.00 1.00 H new ATOM 912 N GLY A 63 -14.949 -4.855 7.445 1.00 1.00 N ATOM 913 CA GLY A 63 -14.664 -6.011 8.298 1.00 1.00 C ATOM 914 C GLY A 63 -14.659 -7.376 7.600 1.00 1.00 C ATOM 915 O GLY A 63 -15.088 -8.359 8.208 1.00 1.00 O ATOM 0 H GLY A 63 -14.124 -4.297 7.227 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.691 -5.861 8.766 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.403 -6.037 9.099 1.00 1.00 H new ATOM 919 N THR A 64 -14.170 -7.465 6.356 1.00 1.00 N ATOM 920 CA THR A 64 -13.969 -8.750 5.654 1.00 1.00 C ATOM 921 C THR A 64 -12.547 -8.880 5.112 1.00 1.00 C ATOM 922 O THR A 64 -11.873 -7.877 4.857 1.00 1.00 O ATOM 923 CB THR A 64 -15.015 -8.963 4.548 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.101 -10.336 4.243 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.701 -8.238 3.246 1.00 1.00 C ATOM 0 H THR A 64 -13.901 -6.651 5.804 1.00 1.00 H new ATOM 0 HA THR A 64 -14.110 -9.542 6.389 1.00 1.00 H new ATOM 0 HB THR A 64 -15.946 -8.557 4.945 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.769 -10.474 3.539 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.487 -8.440 2.518 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.645 -7.165 3.431 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.746 -8.589 2.855 1.00 1.00 H new ATOM 933 N THR A 65 -12.082 -10.119 4.952 1.00 1.00 N ATOM 934 CA THR A 65 -10.711 -10.437 4.529 1.00 1.00 C ATOM 935 C THR A 65 -10.673 -10.635 3.017 1.00 1.00 C ATOM 936 O THR A 65 -11.435 -11.421 2.447 1.00 1.00 O ATOM 937 CB THR A 65 -10.150 -11.668 5.256 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.272 -11.503 6.653 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.664 -11.888 4.964 1.00 1.00 C ATOM 0 H THR A 65 -12.655 -10.947 5.115 1.00 1.00 H new ATOM 0 HA THR A 65 -10.073 -9.596 4.800 1.00 1.00 H new ATOM 0 HB THR A 65 -10.723 -12.523 4.897 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.913 -12.293 7.108 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.314 -12.770 5.501 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.521 -12.035 3.893 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.096 -11.016 5.290 1.00 1.00 H new ATOM 947 N VAL A 66 -9.756 -9.929 2.365 1.00 1.00 N ATOM 948 CA VAL A 66 -9.669 -9.787 0.906 1.00 1.00 C ATOM 949 C VAL A 66 -8.276 -10.142 0.398 1.00 1.00 C ATOM 950 O VAL A 66 -7.290 -9.878 1.073 1.00 1.00 O ATOM 951 CB VAL A 66 -10.034 -8.349 0.480 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.502 -8.014 0.751 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.201 -7.255 1.168 1.00 1.00 C ATOM 0 H VAL A 66 -9.021 -9.417 2.853 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.382 -10.482 0.462 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.819 -8.348 -0.589 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.706 -6.992 0.433 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.140 -8.701 0.196 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.706 -8.110 1.817 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.522 -6.276 0.812 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.344 -7.314 2.247 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.146 -7.399 0.933 1.00 1.00 H new ATOM 963 N LEU A 67 -8.171 -10.734 -0.788 1.00 1.00 N ATOM 964 CA LEU A 67 -6.887 -10.920 -1.470 1.00 1.00 C ATOM 965 C LEU A 67 -6.654 -9.730 -2.411 1.00 1.00 C ATOM 966 O LEU A 67 -7.526 -9.391 -3.216 1.00 1.00 O ATOM 967 CB LEU A 67 -6.901 -12.272 -2.206 1.00 1.00 C ATOM 968 CG LEU A 67 -5.641 -12.557 -3.054 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.367 -12.646 -2.209 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.808 -13.883 -3.795 1.00 1.00 C ATOM 0 H LEU A 67 -8.970 -11.099 -1.306 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.058 -10.947 -0.763 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.016 -13.069 -1.472 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.776 -12.308 -2.856 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.537 -11.722 -3.747 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.514 -12.848 -2.857 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.211 -11.702 -1.686 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.468 -13.451 -1.482 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.918 -14.081 -4.392 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.947 -14.688 -3.073 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.678 -13.827 -4.449 1.00 1.00 H new ATOM 982 N VAL A 68 -5.487 -9.090 -2.302 1.00 1.00 N ATOM 983 CA VAL A 68 -5.084 -7.947 -3.142 1.00 1.00 C ATOM 984 C VAL A 68 -4.581 -8.439 -4.509 1.00 1.00 C ATOM 985 O VAL A 68 -3.385 -8.541 -4.765 1.00 1.00 O ATOM 986 CB VAL A 68 -4.054 -7.049 -2.422 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.836 -5.760 -3.216 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.535 -6.653 -1.017 1.00 1.00 C ATOM 0 H VAL A 68 -4.779 -9.353 -1.616 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.960 -7.323 -3.320 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.130 -7.622 -2.344 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.108 -5.134 -2.700 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.464 -6.004 -4.211 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.780 -5.222 -3.303 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.785 -6.022 -0.540 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.474 -6.105 -1.095 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.687 -7.551 -0.418 1.00 1.00 H new ATOM 998 N VAL A 69 -5.519 -8.834 -5.369 1.00 1.00 N ATOM 999 CA VAL A 69 -5.282 -9.528 -6.649 1.00 1.00 C ATOM 1000 C VAL A 69 -4.597 -8.684 -7.735 1.00 1.00 C ATOM 1001 O VAL A 69 -3.941 -9.247 -8.613 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.592 -10.123 -7.200 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.953 -11.415 -6.457 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.787 -9.170 -7.096 1.00 1.00 C ATOM 0 H VAL A 69 -6.511 -8.675 -5.191 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.575 -10.320 -6.403 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.400 -10.315 -8.256 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.881 -11.820 -6.861 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -6.153 -12.144 -6.585 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -7.082 -11.201 -5.396 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.675 -9.654 -7.502 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.959 -8.915 -6.050 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.578 -8.262 -7.661 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.685 -7.354 -7.676 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.908 -6.435 -8.525 1.00 1.00 C ATOM 1016 C ASP A 70 -3.611 -5.136 -7.751 1.00 1.00 C ATOM 1017 O ASP A 70 -4.217 -4.887 -6.709 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.663 -6.163 -9.845 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.735 -5.978 -11.048 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.940 -5.011 -11.029 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.820 -6.797 -11.993 1.00 1.00 O ATOM 0 H ASP A 70 -5.308 -6.872 -7.027 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.954 -6.893 -8.785 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.343 -6.992 -10.044 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.276 -5.269 -9.727 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.677 -4.307 -8.222 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.230 -3.089 -7.525 1.00 1.00 C ATOM 1028 C ILE A 71 -1.891 -1.980 -8.531 1.00 1.00 C ATOM 1029 O ILE A 71 -1.242 -2.208 -9.554 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.022 -3.404 -6.592 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.484 -4.345 -5.453 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.391 -2.129 -6.000 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.532 -4.550 -4.273 1.00 1.00 C ATOM 0 H ILE A 71 -2.200 -4.461 -9.111 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.047 -2.727 -6.900 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.255 -3.891 -7.194 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.426 -3.961 -5.062 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.694 -5.322 -5.889 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.446 -2.402 -5.357 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.035 -1.490 -6.808 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.137 -1.592 -5.415 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.986 -5.232 -3.554 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.406 -4.973 -4.632 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.337 -3.592 -3.792 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.293 -0.759 -8.182 1.00 1.00 N ATOM 1046 CA ASN A 72 -1.937 0.506 -8.822 1.00 1.00 C ATOM 1047 C ASN A 72 -1.584 1.528 -7.715 1.00 1.00 C ATOM 1048 O ASN A 72 -1.932 1.311 -6.553 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.129 0.931 -9.702 1.00 1.00 C ATOM 1050 CG ASN A 72 -2.867 2.208 -10.480 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.293 3.291 -10.109 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.125 2.131 -11.562 1.00 1.00 N ATOM 0 H ASN A 72 -2.920 -0.618 -7.390 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.062 0.428 -9.468 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.362 0.128 -10.401 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.007 1.070 -9.072 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -1.905 2.975 -12.091 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.769 1.227 -11.873 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.878 2.614 -8.049 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.321 3.592 -7.099 1.00 1.00 C ATOM 1061 C ASN A 73 -1.342 4.117 -6.058 1.00 1.00 C ATOM 1062 O ASN A 73 -2.146 5.005 -6.352 1.00 1.00 O ATOM 1063 CB ASN A 73 0.327 4.734 -7.907 1.00 1.00 C ATOM 1064 CG ASN A 73 1.008 5.774 -7.028 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.440 5.511 -5.913 1.00 1.00 O ATOM 1066 ND2 ASN A 73 1.131 6.994 -7.500 1.00 1.00 N ATOM 0 H ASN A 73 -0.670 2.847 -9.020 1.00 1.00 H new ATOM 0 HA ASN A 73 0.430 3.086 -6.493 1.00 1.00 H new ATOM 0 HB2 ASN A 73 1.059 4.314 -8.596 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.437 5.222 -8.512 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.584 7.715 -6.938 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.773 7.220 -8.428 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.315 3.558 -4.844 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.247 3.857 -3.746 1.00 1.00 C ATOM 1075 C GLY A 74 -3.701 3.408 -3.965 1.00 1.00 C ATOM 1076 O GLY A 74 -4.572 3.788 -3.183 1.00 1.00 O ATOM 0 H GLY A 74 -0.619 2.859 -4.587 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.873 3.384 -2.838 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.241 4.933 -3.571 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.966 2.601 -4.999 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.291 2.108 -5.420 1.00 1.00 C ATOM 1082 C VAL A 75 -5.184 0.606 -5.697 1.00 1.00 C ATOM 1083 O VAL A 75 -4.903 0.155 -6.809 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.857 2.882 -6.632 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.301 2.444 -6.924 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.883 4.399 -6.398 1.00 1.00 C ATOM 0 H VAL A 75 -3.221 2.252 -5.602 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.004 2.281 -4.614 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.196 2.655 -7.468 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.684 2.999 -7.780 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.320 1.377 -7.146 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.925 2.645 -6.053 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.289 4.896 -7.279 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.509 4.623 -5.534 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.870 4.756 -6.215 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.331 -0.178 -4.635 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.263 -1.638 -4.647 1.00 1.00 C ATOM 1098 C LEU A 76 -6.546 -2.226 -5.270 1.00 1.00 C ATOM 1099 O LEU A 76 -7.639 -1.701 -5.068 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.082 -2.098 -3.186 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.631 -2.047 -2.658 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.949 -0.678 -2.763 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.611 -2.464 -1.187 1.00 1.00 C ATOM 0 H LEU A 76 -5.508 0.199 -3.704 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.428 -1.989 -5.253 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.707 -1.476 -2.545 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.450 -3.120 -3.095 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.072 -2.729 -3.299 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.936 -0.745 -2.367 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.911 -0.370 -3.808 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.515 0.055 -2.189 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.588 -2.429 -0.813 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.233 -1.782 -0.607 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.998 -3.479 -1.091 1.00 1.00 H new ATOM 1115 N SER A 77 -6.441 -3.355 -5.968 1.00 1.00 N ATOM 1116 CA SER A 77 -7.584 -4.090 -6.525 1.00 1.00 C ATOM 1117 C SER A 77 -7.750 -5.379 -5.734 1.00 1.00 C ATOM 1118 O SER A 77 -6.834 -6.201 -5.673 1.00 1.00 O ATOM 1119 CB SER A 77 -7.389 -4.406 -8.008 1.00 1.00 C ATOM 1120 OG SER A 77 -7.058 -3.241 -8.749 1.00 1.00 O ATOM 0 H SER A 77 -5.543 -3.796 -6.168 1.00 1.00 H new ATOM 0 HA SER A 77 -8.477 -3.470 -6.446 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.599 -5.148 -8.122 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.301 -4.847 -8.410 1.00 1.00 H new ATOM 0 HG SER A 77 -6.938 -3.477 -9.693 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.915 -5.558 -5.114 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.145 -6.626 -4.131 1.00 1.00 C ATOM 1128 C VAL A 78 -10.436 -7.408 -4.395 1.00 1.00 C ATOM 1129 O VAL A 78 -11.322 -6.957 -5.123 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.088 -6.062 -2.689 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.927 -5.084 -2.453 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.365 -5.334 -2.261 1.00 1.00 C ATOM 0 H VAL A 78 -9.731 -4.967 -5.277 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.337 -7.349 -4.242 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.949 -6.962 -2.090 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.952 -4.731 -1.422 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.980 -5.591 -2.640 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.024 -4.235 -3.129 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.250 -4.967 -1.241 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.546 -4.493 -2.931 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.209 -6.022 -2.306 1.00 1.00 H new ATOM 1142 N THR A 79 -10.545 -8.587 -3.784 1.00 1.00 N ATOM 1143 CA THR A 79 -11.732 -9.461 -3.828 1.00 1.00 C ATOM 1144 C THR A 79 -11.820 -10.282 -2.528 1.00 1.00 C ATOM 1145 O THR A 79 -10.769 -10.655 -1.994 1.00 1.00 O ATOM 1146 CB THR A 79 -11.671 -10.364 -5.077 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.826 -11.166 -5.147 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.464 -11.305 -5.126 1.00 1.00 C ATOM 0 H THR A 79 -9.788 -8.979 -3.224 1.00 1.00 H new ATOM 0 HA THR A 79 -12.636 -8.857 -3.902 1.00 1.00 H new ATOM 0 HB THR A 79 -11.588 -9.674 -5.916 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.781 -11.735 -5.943 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.504 -11.901 -6.038 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.545 -10.719 -5.115 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.483 -11.966 -4.260 1.00 1.00 H new ATOM 1156 N PRO A 80 -13.013 -10.535 -1.947 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.150 -11.217 -0.657 1.00 1.00 C ATOM 1158 C PRO A 80 -12.791 -12.710 -0.726 1.00 1.00 C ATOM 1159 O PRO A 80 -13.620 -13.563 -1.052 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.582 -10.947 -0.193 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.350 -10.766 -1.501 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.323 -10.095 -2.413 1.00 1.00 C ATOM 0 HA PRO A 80 -12.436 -10.831 0.071 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.977 -11.776 0.394 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.640 -10.057 0.434 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.687 -11.720 -1.906 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.236 -10.146 -1.366 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.482 -10.380 -3.453 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.409 -9.010 -2.363 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.535 -13.028 -0.394 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.050 -14.402 -0.237 1.00 1.00 C ATOM 1172 C HIS A 81 -11.682 -15.083 0.998 1.00 1.00 C ATOM 1173 O HIS A 81 -11.967 -16.281 0.957 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.512 -14.373 -0.152 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.817 -15.721 -0.173 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.362 -16.951 0.129 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.504 -15.950 -0.493 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.412 -17.890 -0.006 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.253 -17.325 -0.384 1.00 1.00 N ATOM 0 H HIS A 81 -10.815 -12.325 -0.224 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.348 -14.998 -1.100 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.134 -13.779 -0.984 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.229 -13.855 0.764 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.328 -17.120 0.409 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.784 -15.198 -0.781 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.558 -18.946 0.165 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.904 -14.325 2.082 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.372 -14.782 3.405 1.00 1.00 C ATOM 1189 C GLU A 82 -11.842 -16.182 3.833 1.00 1.00 C ATOM 1190 O GLU A 82 -12.631 -17.111 4.052 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.907 -14.619 3.482 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.502 -14.656 4.904 1.00 1.00 C ATOM 1193 CD GLU A 82 -14.364 -13.337 5.687 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -13.267 -12.729 5.657 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -15.352 -12.954 6.360 1.00 1.00 O ATOM 0 H GLU A 82 -11.754 -13.316 2.060 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.926 -14.139 4.164 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.179 -13.672 3.016 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.370 -15.409 2.891 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -15.559 -14.915 4.836 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.015 -15.452 5.468 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.506 -16.377 3.916 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.901 -17.660 4.285 1.00 1.00 C ATOM 1204 C PRO A 83 -10.148 -18.035 5.759 1.00 1.00 C ATOM 1205 O PRO A 83 -10.461 -17.187 6.600 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.405 -17.496 3.989 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.163 -16.005 4.205 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.466 -15.375 3.718 1.00 1.00 C ATOM 0 HA PRO A 83 -10.346 -18.478 3.718 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.794 -18.103 4.657 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.161 -17.799 2.971 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -7.969 -15.775 5.253 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.304 -15.648 3.636 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.691 -14.466 4.276 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.393 -15.094 2.668 1.00 1.00 H new ATOM 1216 N ILE A 84 -9.969 -19.321 6.078 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.059 -19.874 7.443 1.00 1.00 C ATOM 1218 C ILE A 84 -9.092 -19.204 8.438 1.00 1.00 C ATOM 1219 O ILE A 84 -7.935 -18.901 8.117 1.00 1.00 O ATOM 1220 CB ILE A 84 -9.921 -21.417 7.463 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -8.520 -22.000 7.149 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -11.004 -22.072 6.584 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -7.924 -21.708 5.763 1.00 1.00 C ATOM 0 H ILE A 84 -9.751 -20.030 5.378 1.00 1.00 H new ATOM 0 HA ILE A 84 -11.065 -19.633 7.788 1.00 1.00 H new ATOM 0 HB ILE A 84 -10.071 -21.677 8.511 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -7.824 -21.626 7.900 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -8.571 -23.082 7.272 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -10.889 -23.156 6.612 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.991 -21.802 6.960 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -10.899 -21.723 5.557 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -6.943 -22.176 5.683 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -8.582 -22.109 4.992 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -7.824 -20.631 5.630 1.00 1.00 H new TER 1235 ILE A 84