USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 619 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 Single : A 1 ALA N :NH3+ -120:sc= 0.118 (180deg=0) USER MOD Single : A 9 TYR OH : rot 15:sc= -4.16! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.252 X(o=-0.25,f=-0.48) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.05! C(o=-2.7!,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -150:sc= -2.07! USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.292 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.206 8.639 -3.927 1.00 0.00 N ATOM 2 CA ALA A 1 16.757 8.989 -3.916 1.00 0.00 C ATOM 3 C ALA A 1 15.946 7.782 -3.443 1.00 0.00 C ATOM 4 O ALA A 1 16.461 6.690 -3.306 1.00 0.00 O ATOM 5 CB ALA A 1 16.316 9.379 -5.328 1.00 0.00 C ATOM 0 H1 ALA A 1 18.722 9.275 -3.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.328 7.656 -3.611 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.581 8.741 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 1 16.590 9.827 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.257 9.635 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.895 10.239 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.482 8.541 -6.005 1.00 0.00 H new ATOM 13 N GLU A 2 14.679 7.967 -3.192 1.00 0.00 N ATOM 14 CA GLU A 2 13.838 6.828 -2.727 1.00 0.00 C ATOM 15 C GLU A 2 14.397 6.288 -1.412 1.00 0.00 C ATOM 16 O GLU A 2 15.024 7.002 -0.654 1.00 0.00 O ATOM 17 CB GLU A 2 13.847 5.720 -3.781 1.00 0.00 C ATOM 18 CG GLU A 2 12.422 5.203 -3.991 1.00 0.00 C ATOM 19 CD GLU A 2 12.473 3.819 -4.640 1.00 0.00 C ATOM 20 OE1 GLU A 2 13.387 3.583 -5.413 1.00 0.00 O ATOM 21 OE2 GLU A 2 11.599 3.018 -4.352 1.00 0.00 O ATOM 0 H GLU A 2 14.190 8.857 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 2 12.815 7.171 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.249 6.100 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.497 4.905 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.898 5.150 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.863 5.893 -4.623 1.00 0.00 H new ATOM 28 N ILE A 3 14.168 5.036 -1.126 1.00 0.00 N ATOM 29 CA ILE A 3 14.678 4.461 0.147 1.00 0.00 C ATOM 30 C ILE A 3 15.348 3.115 -0.130 1.00 0.00 C ATOM 31 O ILE A 3 15.694 2.798 -1.252 1.00 0.00 O ATOM 32 CB ILE A 3 13.518 4.235 1.124 1.00 0.00 C ATOM 33 CG1 ILE A 3 12.180 4.652 0.484 1.00 0.00 C ATOM 34 CG2 ILE A 3 13.755 5.056 2.393 1.00 0.00 C ATOM 35 CD1 ILE A 3 12.024 6.173 0.532 1.00 0.00 C ATOM 0 H ILE A 3 13.650 4.388 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 3 15.396 5.157 0.581 1.00 0.00 H new ATOM 0 HB ILE A 3 13.470 3.175 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 3 12.139 4.307 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 3 11.353 4.177 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.931 4.897 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.689 4.744 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.814 6.114 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 3 11.075 6.456 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.043 6.508 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.842 6.640 -0.016 1.00 0.00 H new ATOM 47 N GLU A 4 15.520 2.314 0.888 1.00 0.00 N ATOM 48 CA GLU A 4 16.153 0.978 0.697 1.00 0.00 C ATOM 49 C GLU A 4 15.069 -0.098 0.768 1.00 0.00 C ATOM 50 O GLU A 4 14.255 -0.111 1.669 1.00 0.00 O ATOM 51 CB GLU A 4 17.184 0.737 1.800 1.00 0.00 C ATOM 52 CG GLU A 4 17.876 -0.607 1.565 1.00 0.00 C ATOM 53 CD GLU A 4 19.378 -0.383 1.384 1.00 0.00 C ATOM 54 OE1 GLU A 4 20.008 0.067 2.328 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.873 -0.663 0.305 1.00 0.00 O ATOM 0 H GLU A 4 15.248 2.529 1.847 1.00 0.00 H new ATOM 0 HA GLU A 4 16.650 0.940 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.920 1.541 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.697 0.742 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.696 -1.273 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.461 -1.092 0.682 1.00 0.00 H new ATOM 62 N VAL A 5 15.044 -0.994 -0.178 1.00 0.00 N ATOM 63 CA VAL A 5 14.003 -2.059 -0.164 1.00 0.00 C ATOM 64 C VAL A 5 14.400 -3.159 0.822 1.00 0.00 C ATOM 65 O VAL A 5 15.527 -3.232 1.270 1.00 0.00 O ATOM 66 CB VAL A 5 13.855 -2.641 -1.574 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.172 -4.010 -1.513 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.002 -1.690 -2.412 1.00 0.00 C ATOM 0 H VAL A 5 15.698 -1.035 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 5 13.050 -1.635 0.151 1.00 0.00 H new ATOM 0 HB VAL A 5 14.842 -2.759 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.073 -4.412 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.773 -4.690 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.184 -3.904 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.889 -2.093 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.020 -1.582 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.488 -0.716 -2.464 1.00 0.00 H new ATOM 78 N GLY A 6 13.474 -4.013 1.166 1.00 0.00 N ATOM 79 CA GLY A 6 13.782 -5.108 2.125 1.00 0.00 C ATOM 80 C GLY A 6 13.358 -4.684 3.533 1.00 0.00 C ATOM 81 O GLY A 6 13.513 -5.424 4.486 1.00 0.00 O ATOM 0 H GLY A 6 12.514 -3.998 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.259 -6.019 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.848 -5.333 2.107 1.00 0.00 H new ATOM 85 N ARG A 7 12.833 -3.496 3.678 1.00 0.00 N ATOM 86 CA ARG A 7 12.412 -3.028 5.027 1.00 0.00 C ATOM 87 C ARG A 7 10.885 -2.951 5.090 1.00 0.00 C ATOM 88 O ARG A 7 10.209 -2.954 4.081 1.00 0.00 O ATOM 89 CB ARG A 7 12.990 -1.633 5.310 1.00 0.00 C ATOM 90 CG ARG A 7 13.840 -1.145 4.129 1.00 0.00 C ATOM 91 CD ARG A 7 14.817 -0.060 4.600 1.00 0.00 C ATOM 92 NE ARG A 7 14.303 0.588 5.843 1.00 0.00 N ATOM 93 CZ ARG A 7 15.142 1.086 6.712 1.00 0.00 C ATOM 94 NH1 ARG A 7 16.056 1.933 6.324 1.00 0.00 N ATOM 95 NH2 ARG A 7 15.065 0.738 7.968 1.00 0.00 N ATOM 0 H ARG A 7 12.678 -2.831 2.920 1.00 0.00 H new ATOM 0 HA ARG A 7 12.783 -3.732 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.179 -0.929 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.598 -1.663 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.391 -1.980 3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.195 -0.750 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.797 -0.499 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.947 0.688 3.818 1.00 0.00 H new ATOM 0 HE ARG A 7 13.299 0.642 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.115 2.206 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.711 2.322 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.350 0.077 8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.720 1.127 8.646 1.00 0.00 H new ATOM 109 N VAL A 8 10.339 -2.869 6.273 1.00 0.00 N ATOM 110 CA VAL A 8 8.858 -2.777 6.409 1.00 0.00 C ATOM 111 C VAL A 8 8.454 -1.303 6.397 1.00 0.00 C ATOM 112 O VAL A 8 9.074 -0.480 7.042 1.00 0.00 O ATOM 113 CB VAL A 8 8.431 -3.414 7.733 1.00 0.00 C ATOM 114 CG1 VAL A 8 6.922 -3.249 7.918 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.782 -4.903 7.717 1.00 0.00 C ATOM 0 H VAL A 8 10.856 -2.862 7.152 1.00 0.00 H new ATOM 0 HA VAL A 8 8.373 -3.300 5.585 1.00 0.00 H new ATOM 0 HB VAL A 8 8.952 -2.925 8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.619 -3.703 8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.671 -2.188 7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.399 -3.738 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.478 -5.359 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.260 -5.391 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.858 -5.022 7.586 1.00 0.00 H new ATOM 125 N TYR A 9 7.427 -0.950 5.671 1.00 0.00 N ATOM 126 CA TYR A 9 7.018 0.482 5.637 1.00 0.00 C ATOM 127 C TYR A 9 5.594 0.644 6.159 1.00 0.00 C ATOM 128 O TYR A 9 4.666 0.026 5.681 1.00 0.00 O ATOM 129 CB TYR A 9 7.080 1.018 4.206 1.00 0.00 C ATOM 130 CG TYR A 9 8.487 1.462 3.895 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.554 0.572 4.059 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.724 2.767 3.450 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.859 0.987 3.776 1.00 0.00 C ATOM 134 CE2 TYR A 9 10.029 3.185 3.169 1.00 0.00 C ATOM 135 CZ TYR A 9 11.098 2.294 3.331 1.00 0.00 C ATOM 136 OH TYR A 9 12.386 2.706 3.060 1.00 0.00 O ATOM 0 H TYR A 9 6.860 -1.583 5.107 1.00 0.00 H new ATOM 0 HA TYR A 9 7.705 1.043 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.768 0.246 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.390 1.853 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.370 -0.435 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.899 3.452 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.683 0.300 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.212 4.193 2.828 1.00 0.00 H new ATOM 0 HH TYR A 9 12.973 1.924 2.996 1.00 0.00 H new ATOM 146 N THR A 10 5.418 1.504 7.116 1.00 0.00 N ATOM 147 CA THR A 10 4.059 1.754 7.661 1.00 0.00 C ATOM 148 C THR A 10 3.489 2.968 6.939 1.00 0.00 C ATOM 149 O THR A 10 4.120 4.004 6.867 1.00 0.00 O ATOM 150 CB THR A 10 4.151 2.051 9.157 1.00 0.00 C ATOM 151 OG1 THR A 10 5.401 1.595 9.655 1.00 0.00 O ATOM 152 CG2 THR A 10 3.015 1.340 9.893 1.00 0.00 C ATOM 0 H THR A 10 6.163 2.050 7.549 1.00 0.00 H new ATOM 0 HA THR A 10 3.422 0.882 7.515 1.00 0.00 H new ATOM 0 HB THR A 10 4.067 3.126 9.318 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.461 1.787 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.083 1.553 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.057 1.694 9.512 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.094 0.265 9.732 1.00 0.00 H new ATOM 160 N GLY A 11 2.319 2.862 6.382 1.00 0.00 N ATOM 161 CA GLY A 11 1.765 4.031 5.650 1.00 0.00 C ATOM 162 C GLY A 11 0.360 4.368 6.143 1.00 0.00 C ATOM 163 O GLY A 11 -0.396 3.510 6.561 1.00 0.00 O ATOM 0 H GLY A 11 1.729 2.030 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.419 4.893 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.738 3.816 4.582 1.00 0.00 H new ATOM 167 N LYS A 12 0.007 5.623 6.069 1.00 0.00 N ATOM 168 CA LYS A 12 -1.347 6.053 6.493 1.00 0.00 C ATOM 169 C LYS A 12 -2.262 5.964 5.275 1.00 0.00 C ATOM 170 O LYS A 12 -1.804 5.901 4.151 1.00 0.00 O ATOM 171 CB LYS A 12 -1.306 7.505 6.991 1.00 0.00 C ATOM 172 CG LYS A 12 0.100 7.844 7.498 1.00 0.00 C ATOM 173 CD LYS A 12 0.043 9.116 8.348 1.00 0.00 C ATOM 174 CE LYS A 12 0.308 8.766 9.814 1.00 0.00 C ATOM 175 NZ LYS A 12 1.229 9.775 10.408 1.00 0.00 N ATOM 0 H LYS A 12 0.609 6.373 5.729 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.709 5.418 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.584 8.183 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.034 7.645 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.495 7.017 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.777 7.987 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.783 9.834 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.934 9.589 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.630 8.743 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.746 7.771 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.409 9.537 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.128 9.776 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.794 10.718 10.351 1.00 0.00 H new ATOM 189 N VAL A 13 -3.544 5.970 5.475 1.00 0.00 N ATOM 190 CA VAL A 13 -4.462 5.889 4.312 1.00 0.00 C ATOM 191 C VAL A 13 -4.737 7.304 3.815 1.00 0.00 C ATOM 192 O VAL A 13 -5.421 8.075 4.455 1.00 0.00 O ATOM 193 CB VAL A 13 -5.774 5.242 4.746 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.779 5.306 3.595 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.523 3.782 5.128 1.00 0.00 C ATOM 0 H VAL A 13 -3.995 6.027 6.388 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.012 5.292 3.519 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.175 5.776 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.716 4.844 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.959 6.347 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.379 4.773 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.461 3.321 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.121 3.245 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.808 3.739 5.950 1.00 0.00 H new ATOM 205 N THR A 14 -4.191 7.658 2.688 1.00 0.00 N ATOM 206 CA THR A 14 -4.406 9.034 2.170 1.00 0.00 C ATOM 207 C THR A 14 -5.122 8.983 0.817 1.00 0.00 C ATOM 208 O THR A 14 -5.409 10.003 0.224 1.00 0.00 O ATOM 209 CB THR A 14 -3.050 9.730 2.021 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.520 9.463 0.731 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.085 9.212 3.091 1.00 0.00 C ATOM 0 H THR A 14 -3.608 7.057 2.106 1.00 0.00 H new ATOM 0 HA THR A 14 -5.028 9.592 2.869 1.00 0.00 H new ATOM 0 HB THR A 14 -3.179 10.805 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.738 10.032 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.121 9.709 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.492 9.421 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.954 8.136 2.973 1.00 0.00 H new ATOM 219 N ARG A 15 -5.421 7.809 0.322 1.00 0.00 N ATOM 220 CA ARG A 15 -6.125 7.715 -0.993 1.00 0.00 C ATOM 221 C ARG A 15 -6.628 6.284 -1.217 1.00 0.00 C ATOM 222 O ARG A 15 -6.019 5.327 -0.785 1.00 0.00 O ATOM 223 CB ARG A 15 -5.154 8.096 -2.117 1.00 0.00 C ATOM 224 CG ARG A 15 -5.239 9.602 -2.381 1.00 0.00 C ATOM 225 CD ARG A 15 -3.901 10.259 -2.035 1.00 0.00 C ATOM 226 NE ARG A 15 -3.520 11.211 -3.115 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.887 12.313 -2.821 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.598 12.290 -2.615 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.542 13.439 -2.731 1.00 0.00 N ATOM 0 H ARG A 15 -5.210 6.916 0.768 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.976 8.397 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.136 7.822 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.397 7.543 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.486 9.785 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.037 10.042 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.977 10.784 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.130 9.498 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.754 11.001 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.086 11.410 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.103 13.152 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.549 13.457 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.046 14.300 -2.501 1.00 0.00 H new ATOM 243 N ILE A 16 -7.734 6.138 -1.902 1.00 0.00 N ATOM 244 CA ILE A 16 -8.285 4.777 -2.181 1.00 0.00 C ATOM 245 C ILE A 16 -8.826 4.754 -3.612 1.00 0.00 C ATOM 246 O ILE A 16 -9.135 5.784 -4.178 1.00 0.00 O ATOM 247 CB ILE A 16 -9.414 4.451 -1.200 1.00 0.00 C ATOM 248 CG1 ILE A 16 -8.874 4.518 0.232 1.00 0.00 C ATOM 249 CG2 ILE A 16 -9.942 3.039 -1.484 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.950 4.043 1.210 1.00 0.00 C ATOM 0 H ILE A 16 -8.283 6.909 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.497 4.033 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.223 5.171 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.984 3.896 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.576 5.539 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.746 2.804 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.321 2.991 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.134 2.317 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.563 4.092 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.828 4.683 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.227 3.015 0.976 1.00 0.00 H new ATOM 262 N VAL A 17 -8.935 3.599 -4.213 1.00 0.00 N ATOM 263 CA VAL A 17 -9.445 3.550 -5.613 1.00 0.00 C ATOM 264 C VAL A 17 -10.474 2.415 -5.752 1.00 0.00 C ATOM 265 O VAL A 17 -10.431 1.433 -5.041 1.00 0.00 O ATOM 266 CB VAL A 17 -8.261 3.338 -6.584 1.00 0.00 C ATOM 267 CG1 VAL A 17 -6.954 3.782 -5.932 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.124 1.867 -6.941 1.00 0.00 C ATOM 0 H VAL A 17 -8.696 2.697 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.936 4.491 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.458 3.927 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.129 3.627 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.017 4.839 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.781 3.198 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.286 1.735 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.947 1.288 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.041 1.522 -7.419 1.00 0.00 H new ATOM 278 N ASP A 18 -11.391 2.531 -6.667 1.00 0.00 N ATOM 279 CA ASP A 18 -12.399 1.445 -6.840 1.00 0.00 C ATOM 280 C ASP A 18 -11.679 0.141 -7.197 1.00 0.00 C ATOM 281 O ASP A 18 -12.044 -0.926 -6.747 1.00 0.00 O ATOM 282 CB ASP A 18 -13.366 1.818 -7.965 1.00 0.00 C ATOM 283 CG ASP A 18 -14.550 2.591 -7.384 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.398 3.148 -6.309 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.589 2.611 -8.022 1.00 0.00 O ATOM 0 H ASP A 18 -11.489 3.324 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.957 1.314 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.854 2.424 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.718 0.918 -8.470 1.00 0.00 H new ATOM 290 N PHE A 19 -10.662 0.226 -8.009 1.00 0.00 N ATOM 291 CA PHE A 19 -9.910 -0.999 -8.413 1.00 0.00 C ATOM 292 C PHE A 19 -8.735 -1.233 -7.459 1.00 0.00 C ATOM 293 O PHE A 19 -7.751 -1.845 -7.823 1.00 0.00 O ATOM 294 CB PHE A 19 -9.353 -0.795 -9.823 1.00 0.00 C ATOM 295 CG PHE A 19 -8.690 0.557 -9.883 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.386 0.720 -9.395 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.385 1.655 -10.405 1.00 0.00 C ATOM 298 CE1 PHE A 19 -6.779 1.981 -9.430 1.00 0.00 C ATOM 299 CE2 PHE A 19 -8.777 2.916 -10.436 1.00 0.00 C ATOM 300 CZ PHE A 19 -7.475 3.077 -9.947 1.00 0.00 C ATOM 0 H PHE A 19 -10.316 1.096 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.582 -1.857 -8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.636 -1.580 -10.064 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.154 -0.857 -10.560 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.850 -0.127 -8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.389 1.529 -10.783 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.773 2.107 -9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.312 3.764 -10.837 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.008 4.050 -9.969 1.00 0.00 H new ATOM 310 N GLY A 20 -8.807 -0.746 -6.250 1.00 0.00 N ATOM 311 CA GLY A 20 -7.662 -0.951 -5.317 1.00 0.00 C ATOM 312 C GLY A 20 -7.644 0.130 -4.227 1.00 0.00 C ATOM 313 O GLY A 20 -8.656 0.692 -3.869 1.00 0.00 O ATOM 0 H GLY A 20 -9.596 -0.223 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.735 -1.936 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.725 -0.928 -5.874 1.00 0.00 H new ATOM 317 N ALA A 21 -6.490 0.429 -3.698 1.00 0.00 N ATOM 318 CA ALA A 21 -6.397 1.472 -2.643 1.00 0.00 C ATOM 319 C ALA A 21 -5.015 2.107 -2.700 1.00 0.00 C ATOM 320 O ALA A 21 -4.039 1.457 -2.999 1.00 0.00 O ATOM 321 CB ALA A 21 -6.595 0.842 -1.264 1.00 0.00 C ATOM 0 H ALA A 21 -5.604 -0.007 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.169 2.223 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.525 1.614 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.577 0.372 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.824 0.091 -1.093 1.00 0.00 H new ATOM 327 N PHE A 22 -4.925 3.369 -2.417 1.00 0.00 N ATOM 328 CA PHE A 22 -3.610 4.055 -2.437 1.00 0.00 C ATOM 329 C PHE A 22 -3.198 4.330 -0.989 1.00 0.00 C ATOM 330 O PHE A 22 -4.019 4.318 -0.094 1.00 0.00 O ATOM 331 CB PHE A 22 -3.737 5.372 -3.205 1.00 0.00 C ATOM 332 CG PHE A 22 -3.823 5.100 -4.693 1.00 0.00 C ATOM 333 CD1 PHE A 22 -3.900 3.785 -5.176 1.00 0.00 C ATOM 334 CD2 PHE A 22 -3.821 6.173 -5.592 1.00 0.00 C ATOM 335 CE1 PHE A 22 -3.973 3.545 -6.552 1.00 0.00 C ATOM 336 CE2 PHE A 22 -3.893 5.932 -6.970 1.00 0.00 C ATOM 337 CZ PHE A 22 -3.969 4.617 -7.448 1.00 0.00 C ATOM 0 H PHE A 22 -5.716 3.963 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.859 3.435 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.625 5.911 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.879 6.010 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.903 2.956 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.764 7.186 -5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.032 2.532 -6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.890 6.760 -7.664 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.025 4.432 -8.511 1.00 0.00 H new ATOM 347 N VAL A 23 -1.942 4.561 -0.743 1.00 0.00 N ATOM 348 CA VAL A 23 -1.506 4.815 0.658 1.00 0.00 C ATOM 349 C VAL A 23 -0.290 5.743 0.655 1.00 0.00 C ATOM 350 O VAL A 23 0.317 5.984 -0.369 1.00 0.00 O ATOM 351 CB VAL A 23 -1.148 3.476 1.313 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.281 3.711 2.551 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.435 2.757 1.719 1.00 0.00 C ATOM 0 H VAL A 23 -1.202 4.585 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.309 5.292 1.220 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.591 2.865 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.033 2.753 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.636 4.223 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.828 4.324 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.187 1.804 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.989 3.374 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.047 2.580 0.835 1.00 0.00 H new ATOM 363 N ALA A 24 0.073 6.267 1.794 1.00 0.00 N ATOM 364 CA ALA A 24 1.251 7.176 1.845 1.00 0.00 C ATOM 365 C ALA A 24 2.172 6.747 2.993 1.00 0.00 C ATOM 366 O ALA A 24 1.715 6.257 4.002 1.00 0.00 O ATOM 367 CB ALA A 24 0.775 8.614 2.070 1.00 0.00 C ATOM 0 H ALA A 24 -0.393 6.106 2.687 1.00 0.00 H new ATOM 0 HA ALA A 24 1.799 7.123 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.636 9.281 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.120 8.913 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.229 8.673 3.011 1.00 0.00 H new ATOM 373 N ILE A 25 3.466 6.917 2.861 1.00 0.00 N ATOM 374 CA ILE A 25 4.371 6.502 3.974 1.00 0.00 C ATOM 375 C ILE A 25 4.960 7.741 4.653 1.00 0.00 C ATOM 376 O ILE A 25 5.502 7.663 5.737 1.00 0.00 O ATOM 377 CB ILE A 25 5.505 5.617 3.442 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.805 5.969 1.983 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.081 4.151 3.533 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.778 4.944 1.398 1.00 0.00 C ATOM 0 H ILE A 25 3.927 7.318 2.044 1.00 0.00 H new ATOM 0 HA ILE A 25 3.791 5.931 4.700 1.00 0.00 H new ATOM 0 HB ILE A 25 6.402 5.783 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.882 5.981 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.233 6.969 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.883 3.516 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.874 3.896 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.183 3.994 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.991 5.196 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.705 4.954 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.332 3.950 1.447 1.00 0.00 H new ATOM 392 N GLY A 26 4.848 8.884 4.031 1.00 0.00 N ATOM 393 CA GLY A 26 5.396 10.127 4.648 1.00 0.00 C ATOM 394 C GLY A 26 6.901 9.969 4.880 1.00 0.00 C ATOM 395 O GLY A 26 7.353 9.010 5.473 1.00 0.00 O ATOM 0 H GLY A 26 4.401 9.011 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.206 10.981 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.892 10.328 5.593 1.00 0.00 H new ATOM 399 N GLY A 27 7.684 10.904 4.417 1.00 0.00 N ATOM 400 CA GLY A 27 9.158 10.801 4.614 1.00 0.00 C ATOM 401 C GLY A 27 9.725 9.724 3.688 1.00 0.00 C ATOM 402 O GLY A 27 10.906 9.439 3.702 1.00 0.00 O ATOM 0 H GLY A 27 7.369 11.732 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.631 11.761 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.380 10.556 5.653 1.00 0.00 H new ATOM 406 N GLY A 28 8.893 9.122 2.882 1.00 0.00 N ATOM 407 CA GLY A 28 9.384 8.063 1.956 1.00 0.00 C ATOM 408 C GLY A 28 8.419 7.938 0.775 1.00 0.00 C ATOM 409 O GLY A 28 8.218 6.867 0.238 1.00 0.00 O ATOM 0 H GLY A 28 7.894 9.318 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.384 8.311 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.460 7.111 2.481 1.00 0.00 H new ATOM 413 N LYS A 29 7.825 9.027 0.367 1.00 0.00 N ATOM 414 CA LYS A 29 6.875 8.976 -0.781 1.00 0.00 C ATOM 415 C LYS A 29 5.554 8.341 -0.334 1.00 0.00 C ATOM 416 O LYS A 29 5.203 8.361 0.834 1.00 0.00 O ATOM 417 CB LYS A 29 7.493 8.152 -1.913 1.00 0.00 C ATOM 418 CG LYS A 29 7.622 9.022 -3.166 1.00 0.00 C ATOM 419 CD LYS A 29 8.864 9.909 -3.048 1.00 0.00 C ATOM 420 CE LYS A 29 8.452 11.308 -2.587 1.00 0.00 C ATOM 421 NZ LYS A 29 9.289 12.327 -3.283 1.00 0.00 N ATOM 0 H LYS A 29 7.957 9.950 0.780 1.00 0.00 H new ATOM 0 HA LYS A 29 6.678 9.988 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.473 7.780 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.872 7.281 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.695 8.392 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.732 9.639 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.568 9.474 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.375 9.967 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.397 11.478 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.574 11.397 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.009 13.279 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.291 12.168 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.151 12.246 -4.311 1.00 0.00 H new ATOM 435 N GLU A 30 4.806 7.786 -1.247 1.00 0.00 N ATOM 436 CA GLU A 30 3.514 7.175 -0.844 1.00 0.00 C ATOM 437 C GLU A 30 3.486 5.685 -1.190 1.00 0.00 C ATOM 438 O GLU A 30 4.132 5.232 -2.114 1.00 0.00 O ATOM 439 CB GLU A 30 2.368 7.883 -1.568 1.00 0.00 C ATOM 440 CG GLU A 30 2.572 9.396 -1.492 1.00 0.00 C ATOM 441 CD GLU A 30 1.213 10.092 -1.407 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.213 9.393 -1.372 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.194 11.311 -1.377 1.00 0.00 O ATOM 0 H GLU A 30 5.031 7.730 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 30 3.400 7.286 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.329 7.563 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.415 7.611 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.177 9.649 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.116 9.744 -2.370 1.00 0.00 H new ATOM 450 N GLY A 31 2.717 4.929 -0.456 1.00 0.00 N ATOM 451 CA GLY A 31 2.602 3.468 -0.723 1.00 0.00 C ATOM 452 C GLY A 31 1.324 3.219 -1.525 1.00 0.00 C ATOM 453 O GLY A 31 0.663 4.148 -1.946 1.00 0.00 O ATOM 0 H GLY A 31 2.157 5.266 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.472 3.115 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.575 2.913 0.215 1.00 0.00 H new ATOM 457 N LEU A 32 0.958 1.984 -1.743 1.00 0.00 N ATOM 458 CA LEU A 32 -0.288 1.721 -2.514 1.00 0.00 C ATOM 459 C LEU A 32 -0.931 0.404 -2.086 1.00 0.00 C ATOM 460 O LEU A 32 -0.354 -0.656 -2.227 1.00 0.00 O ATOM 461 CB LEU A 32 0.018 1.633 -4.004 1.00 0.00 C ATOM 462 CG LEU A 32 -1.277 1.892 -4.765 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.174 3.225 -5.482 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.526 0.779 -5.783 1.00 0.00 C ATOM 0 H LEU A 32 1.462 1.156 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.972 2.546 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.776 2.365 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.417 0.650 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.109 1.913 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.097 3.416 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.013 4.019 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.338 3.199 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.454 0.977 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.699 0.742 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.603 -0.177 -5.265 1.00 0.00 H new ATOM 476 N VAL A 33 -2.142 0.456 -1.610 1.00 0.00 N ATOM 477 CA VAL A 33 -2.845 -0.794 -1.233 1.00 0.00 C ATOM 478 C VAL A 33 -3.702 -1.219 -2.426 1.00 0.00 C ATOM 479 O VAL A 33 -4.914 -1.268 -2.355 1.00 0.00 O ATOM 480 CB VAL A 33 -3.741 -0.540 -0.019 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.413 -1.846 0.408 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.895 -0.003 1.136 1.00 0.00 C ATOM 0 H VAL A 33 -2.675 1.314 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.128 -1.574 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.506 0.191 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.050 -1.661 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.018 -2.229 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.650 -2.579 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.533 0.178 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.129 -0.734 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.419 0.930 0.835 1.00 0.00 H new ATOM 492 N HIS A 34 -3.087 -1.499 -3.541 1.00 0.00 N ATOM 493 CA HIS A 34 -3.884 -1.897 -4.729 1.00 0.00 C ATOM 494 C HIS A 34 -4.882 -2.983 -4.316 1.00 0.00 C ATOM 495 O HIS A 34 -4.695 -3.671 -3.332 1.00 0.00 O ATOM 496 CB HIS A 34 -2.965 -2.436 -5.825 1.00 0.00 C ATOM 497 CG HIS A 34 -3.649 -2.293 -7.158 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.600 -3.285 -8.124 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.409 -1.282 -7.698 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.311 -2.856 -9.183 1.00 0.00 C ATOM 501 NE2 HIS A 34 -4.826 -1.642 -8.976 1.00 0.00 N ATOM 0 H HIS A 34 -2.077 -1.469 -3.679 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.417 -1.028 -5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.022 -1.890 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.727 -3.483 -5.635 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.113 -4.178 -8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.646 -0.351 -7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.448 -3.425 -10.091 1.00 0.00 H new ATOM 509 N ILE A 35 -5.941 -3.134 -5.054 1.00 0.00 N ATOM 510 CA ILE A 35 -6.965 -4.162 -4.715 1.00 0.00 C ATOM 511 C ILE A 35 -6.295 -5.515 -4.468 1.00 0.00 C ATOM 512 O ILE A 35 -6.590 -6.197 -3.507 1.00 0.00 O ATOM 513 CB ILE A 35 -7.944 -4.292 -5.880 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.835 -5.515 -5.662 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.164 -4.462 -7.186 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.301 -5.097 -5.745 1.00 0.00 C ATOM 0 H ILE A 35 -6.146 -2.584 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.493 -3.857 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.561 -3.395 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.619 -6.274 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.627 -5.961 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.863 -4.555 -8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.525 -3.593 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.548 -5.359 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.937 -5.968 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.511 -4.353 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.503 -4.671 -6.728 1.00 0.00 H new ATOM 528 N SER A 36 -5.409 -5.916 -5.335 1.00 0.00 N ATOM 529 CA SER A 36 -4.735 -7.236 -5.159 1.00 0.00 C ATOM 530 C SER A 36 -3.589 -7.137 -4.139 1.00 0.00 C ATOM 531 O SER A 36 -2.594 -7.822 -4.256 1.00 0.00 O ATOM 532 CB SER A 36 -4.175 -7.692 -6.508 1.00 0.00 C ATOM 533 OG SER A 36 -4.941 -8.789 -6.989 1.00 0.00 O ATOM 0 H SER A 36 -5.121 -5.388 -6.159 1.00 0.00 H new ATOM 0 HA SER A 36 -5.465 -7.956 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.206 -6.871 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.130 -7.983 -6.401 1.00 0.00 H new ATOM 0 HG SER A 36 -4.585 -9.082 -7.854 1.00 0.00 H new ATOM 539 N GLN A 37 -3.717 -6.305 -3.135 1.00 0.00 N ATOM 540 CA GLN A 37 -2.626 -6.188 -2.121 1.00 0.00 C ATOM 541 C GLN A 37 -3.226 -5.852 -0.752 1.00 0.00 C ATOM 542 O GLN A 37 -2.891 -4.851 -0.151 1.00 0.00 O ATOM 543 CB GLN A 37 -1.658 -5.071 -2.527 1.00 0.00 C ATOM 544 CG GLN A 37 -1.328 -5.188 -4.016 1.00 0.00 C ATOM 545 CD GLN A 37 -0.457 -6.424 -4.248 1.00 0.00 C ATOM 546 OE1 GLN A 37 0.171 -6.919 -3.334 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.396 -6.948 -5.441 1.00 0.00 N ATOM 0 H GLN A 37 -4.526 -5.705 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.091 -7.136 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.103 -4.098 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.744 -5.136 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.246 -5.262 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.807 -4.293 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.924 -6.532 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.179 -7.774 -5.606 1.00 0.00 H new ATOM 556 N ILE A 38 -4.109 -6.674 -0.249 1.00 0.00 N ATOM 557 CA ILE A 38 -4.716 -6.377 1.082 1.00 0.00 C ATOM 558 C ILE A 38 -4.345 -7.471 2.084 1.00 0.00 C ATOM 559 O ILE A 38 -3.270 -7.471 2.649 1.00 0.00 O ATOM 560 CB ILE A 38 -6.239 -6.291 0.960 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.627 -5.020 0.196 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.849 -6.239 2.364 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.983 -5.029 -1.192 1.00 0.00 C ATOM 0 H ILE A 38 -4.434 -7.531 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.330 -5.420 1.434 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.611 -7.163 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.711 -4.958 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.304 -4.139 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.935 -6.178 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.575 -7.139 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.473 -5.363 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.263 -4.123 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.899 -5.070 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.328 -5.901 -1.747 1.00 0.00 H new ATOM 575 N ALA A 39 -5.233 -8.396 2.319 1.00 0.00 N ATOM 576 CA ALA A 39 -4.940 -9.479 3.293 1.00 0.00 C ATOM 577 C ALA A 39 -4.942 -10.828 2.577 1.00 0.00 C ATOM 578 O ALA A 39 -5.492 -11.796 3.067 1.00 0.00 O ATOM 579 CB ALA A 39 -6.014 -9.478 4.384 1.00 0.00 C ATOM 0 H ALA A 39 -6.151 -8.447 1.877 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.961 -9.312 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.804 -10.271 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.012 -8.516 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.992 -9.647 3.932 1.00 0.00 H new ATOM 585 N ASP A 40 -4.339 -10.901 1.420 1.00 0.00 N ATOM 586 CA ASP A 40 -4.317 -12.189 0.670 1.00 0.00 C ATOM 587 C ASP A 40 -5.701 -12.836 0.747 1.00 0.00 C ATOM 588 O ASP A 40 -5.842 -14.041 0.678 1.00 0.00 O ATOM 589 CB ASP A 40 -3.270 -13.126 1.281 1.00 0.00 C ATOM 590 CG ASP A 40 -3.757 -13.633 2.638 1.00 0.00 C ATOM 591 OD1 ASP A 40 -4.645 -14.469 2.652 1.00 0.00 O ATOM 592 OD2 ASP A 40 -3.233 -13.179 3.641 1.00 0.00 O ATOM 0 H ASP A 40 -3.861 -10.124 0.963 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.059 -12.002 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.088 -13.967 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.322 -12.600 1.398 1.00 0.00 H new ATOM 597 N LYS A 41 -6.723 -12.035 0.895 1.00 0.00 N ATOM 598 CA LYS A 41 -8.106 -12.583 0.981 1.00 0.00 C ATOM 599 C LYS A 41 -8.969 -11.926 -0.097 1.00 0.00 C ATOM 600 O LYS A 41 -8.495 -11.119 -0.872 1.00 0.00 O ATOM 601 CB LYS A 41 -8.687 -12.275 2.365 1.00 0.00 C ATOM 602 CG LYS A 41 -9.870 -13.202 2.645 1.00 0.00 C ATOM 603 CD LYS A 41 -9.928 -13.524 4.140 1.00 0.00 C ATOM 604 CE LYS A 41 -9.565 -14.994 4.356 1.00 0.00 C ATOM 605 NZ LYS A 41 -10.200 -15.485 5.611 1.00 0.00 N ATOM 0 H LYS A 41 -6.657 -11.019 0.960 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.089 -13.662 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.921 -12.406 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.009 -11.235 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.799 -12.728 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.769 -14.121 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.238 -12.883 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.927 -13.323 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.902 -15.591 3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.483 -15.107 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.953 -16.485 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.858 -14.922 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.233 -15.391 5.537 1.00 0.00 H new ATOM 619 N ARG A 42 -10.227 -12.264 -0.159 1.00 0.00 N ATOM 620 CA ARG A 42 -11.108 -11.652 -1.190 1.00 0.00 C ATOM 621 C ARG A 42 -11.492 -10.232 -0.762 1.00 0.00 C ATOM 622 O ARG A 42 -12.591 -9.990 -0.305 1.00 0.00 O ATOM 623 CB ARG A 42 -12.375 -12.496 -1.346 1.00 0.00 C ATOM 624 CG ARG A 42 -12.000 -13.978 -1.420 1.00 0.00 C ATOM 625 CD ARG A 42 -12.901 -14.782 -0.483 1.00 0.00 C ATOM 626 NE ARG A 42 -14.318 -14.356 -0.668 1.00 0.00 N ATOM 627 CZ ARG A 42 -15.006 -13.921 0.351 1.00 0.00 C ATOM 628 NH1 ARG A 42 -14.421 -13.213 1.278 1.00 0.00 N ATOM 629 NH2 ARG A 42 -16.281 -14.191 0.443 1.00 0.00 N ATOM 0 H ARG A 42 -10.682 -12.936 0.459 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.577 -11.613 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.046 -12.322 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.912 -12.201 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.107 -14.340 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.955 -14.114 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.801 -15.847 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.596 -14.628 0.552 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.749 -14.405 -1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.426 -13.000 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.959 -12.873 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.739 -14.742 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.818 -13.850 1.240 1.00 0.00 H new ATOM 643 N VAL A 43 -10.602 -9.287 -0.917 1.00 0.00 N ATOM 644 CA VAL A 43 -10.930 -7.890 -0.533 1.00 0.00 C ATOM 645 C VAL A 43 -11.588 -7.204 -1.731 1.00 0.00 C ATOM 646 O VAL A 43 -11.214 -6.116 -2.124 1.00 0.00 O ATOM 647 CB VAL A 43 -9.653 -7.139 -0.135 1.00 0.00 C ATOM 648 CG1 VAL A 43 -9.975 -5.657 0.062 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.105 -7.713 1.177 1.00 0.00 C ATOM 0 H VAL A 43 -9.664 -9.426 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.609 -7.887 0.320 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.908 -7.253 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.068 -5.122 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.366 -5.243 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.721 -5.548 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.198 -7.178 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.851 -7.600 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.876 -8.770 1.044 1.00 0.00 H new ATOM 659 N GLU A 44 -12.573 -7.837 -2.315 1.00 0.00 N ATOM 660 CA GLU A 44 -13.263 -7.226 -3.486 1.00 0.00 C ATOM 661 C GLU A 44 -13.530 -5.752 -3.193 1.00 0.00 C ATOM 662 O GLU A 44 -13.655 -4.941 -4.090 1.00 0.00 O ATOM 663 CB GLU A 44 -14.592 -7.943 -3.730 1.00 0.00 C ATOM 664 CG GLU A 44 -14.325 -9.363 -4.230 1.00 0.00 C ATOM 665 CD GLU A 44 -15.524 -10.254 -3.900 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.628 -9.886 -4.268 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.320 -11.286 -3.284 1.00 0.00 O ATOM 0 H GLU A 44 -12.928 -8.750 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.635 -7.320 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.174 -7.974 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.184 -7.394 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.150 -9.354 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.424 -9.761 -3.764 1.00 0.00 H new ATOM 674 N LYS A 45 -13.616 -5.400 -1.941 1.00 0.00 N ATOM 675 CA LYS A 45 -13.871 -3.979 -1.581 1.00 0.00 C ATOM 676 C LYS A 45 -12.617 -3.393 -0.937 1.00 0.00 C ATOM 677 O LYS A 45 -12.309 -3.664 0.207 1.00 0.00 O ATOM 678 CB LYS A 45 -15.040 -3.902 -0.596 1.00 0.00 C ATOM 679 CG LYS A 45 -16.256 -4.610 -1.195 1.00 0.00 C ATOM 680 CD LYS A 45 -17.331 -4.779 -0.120 1.00 0.00 C ATOM 681 CE LYS A 45 -18.307 -5.879 -0.543 1.00 0.00 C ATOM 682 NZ LYS A 45 -19.147 -6.274 0.623 1.00 0.00 N ATOM 0 H LYS A 45 -13.520 -6.037 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.120 -3.412 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.764 -4.367 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.281 -2.861 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.651 -4.033 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.965 -5.584 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.870 -5.035 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.865 -3.840 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.940 -5.525 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.758 -6.743 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.810 -7.022 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.536 -6.628 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.681 -5.448 0.961 1.00 0.00 H new ATOM 696 N VAL A 46 -11.890 -2.588 -1.659 1.00 0.00 N ATOM 697 CA VAL A 46 -10.653 -1.984 -1.075 1.00 0.00 C ATOM 698 C VAL A 46 -11.063 -0.932 -0.055 1.00 0.00 C ATOM 699 O VAL A 46 -10.324 -0.604 0.848 1.00 0.00 O ATOM 700 CB VAL A 46 -9.772 -1.334 -2.152 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.397 -2.009 -2.137 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.400 -1.491 -3.540 1.00 0.00 C ATOM 0 H VAL A 46 -12.094 -2.321 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.070 -2.776 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.677 -0.270 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.761 -1.556 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.939 -1.879 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.512 -3.073 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.757 -1.022 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.511 -2.550 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.379 -1.012 -3.553 1.00 0.00 H new ATOM 712 N THR A 47 -12.247 -0.411 -0.188 1.00 0.00 N ATOM 713 CA THR A 47 -12.720 0.612 0.786 1.00 0.00 C ATOM 714 C THR A 47 -13.159 -0.085 2.080 1.00 0.00 C ATOM 715 O THR A 47 -13.644 0.544 2.999 1.00 0.00 O ATOM 716 CB THR A 47 -13.902 1.380 0.190 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.862 0.460 -0.308 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.408 2.273 -0.950 1.00 0.00 C ATOM 0 H THR A 47 -12.909 -0.647 -0.927 1.00 0.00 H new ATOM 0 HA THR A 47 -11.911 1.310 1.004 1.00 0.00 H new ATOM 0 HB THR A 47 -14.360 1.999 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.620 0.952 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.250 2.820 -1.375 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.672 2.980 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.949 1.656 -1.723 1.00 0.00 H new ATOM 726 N ASP A 48 -12.985 -1.380 2.163 1.00 0.00 N ATOM 727 CA ASP A 48 -13.384 -2.110 3.399 1.00 0.00 C ATOM 728 C ASP A 48 -12.131 -2.411 4.220 1.00 0.00 C ATOM 729 O ASP A 48 -12.155 -2.412 5.435 1.00 0.00 O ATOM 730 CB ASP A 48 -14.078 -3.422 3.023 1.00 0.00 C ATOM 731 CG ASP A 48 -15.382 -3.114 2.286 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.410 -2.136 1.557 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.331 -3.860 2.462 1.00 0.00 O ATOM 0 H ASP A 48 -12.584 -1.961 1.427 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.072 -1.498 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.424 -4.024 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.283 -4.007 3.919 1.00 0.00 H new ATOM 738 N TYR A 49 -11.035 -2.655 3.560 1.00 0.00 N ATOM 739 CA TYR A 49 -9.769 -2.945 4.286 1.00 0.00 C ATOM 740 C TYR A 49 -8.995 -1.642 4.472 1.00 0.00 C ATOM 741 O TYR A 49 -8.306 -1.445 5.452 1.00 0.00 O ATOM 742 CB TYR A 49 -8.931 -3.916 3.468 1.00 0.00 C ATOM 743 CG TYR A 49 -9.614 -5.258 3.449 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.812 -5.422 2.745 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.047 -6.337 4.134 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.445 -6.667 2.726 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.679 -7.582 4.115 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.879 -7.749 3.413 1.00 0.00 C ATOM 749 OH TYR A 49 -11.503 -8.981 3.395 1.00 0.00 O ATOM 0 H TYR A 49 -10.961 -2.666 2.543 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.991 -3.386 5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.807 -3.542 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.934 -4.007 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.247 -4.587 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.122 -6.208 4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.369 -6.795 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.242 -8.417 4.642 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.978 -9.621 3.920 1.00 0.00 H new ATOM 759 N LEU A 50 -9.112 -0.753 3.526 1.00 0.00 N ATOM 760 CA LEU A 50 -8.394 0.549 3.621 1.00 0.00 C ATOM 761 C LEU A 50 -9.381 1.632 4.050 1.00 0.00 C ATOM 762 O LEU A 50 -10.504 1.683 3.588 1.00 0.00 O ATOM 763 CB LEU A 50 -7.801 0.905 2.247 1.00 0.00 C ATOM 764 CG LEU A 50 -6.265 0.767 2.234 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.632 2.118 2.565 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.795 -0.280 3.253 1.00 0.00 C ATOM 0 H LEU A 50 -9.678 -0.873 2.686 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.590 0.477 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.231 0.254 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.077 1.927 1.986 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.957 0.441 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.546 2.023 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.938 2.855 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.960 2.441 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.708 -0.356 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.109 0.019 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.233 -1.248 3.009 1.00 0.00 H new ATOM 778 N GLN A 51 -8.969 2.496 4.932 1.00 0.00 N ATOM 779 CA GLN A 51 -9.882 3.578 5.400 1.00 0.00 C ATOM 780 C GLN A 51 -9.083 4.867 5.598 1.00 0.00 C ATOM 781 O GLN A 51 -7.954 4.843 6.036 1.00 0.00 O ATOM 782 CB GLN A 51 -10.527 3.165 6.724 1.00 0.00 C ATOM 783 CG GLN A 51 -11.747 2.284 6.443 1.00 0.00 C ATOM 784 CD GLN A 51 -13.013 3.005 6.910 1.00 0.00 C ATOM 785 OE1 GLN A 51 -13.825 3.413 6.104 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.215 3.181 8.187 1.00 0.00 N ATOM 0 H GLN A 51 -8.039 2.502 5.351 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.661 3.745 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.808 2.624 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.825 4.049 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.813 2.064 5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.647 1.330 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.533 2.838 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.055 3.661 8.509 1.00 0.00 H new ATOM 795 N MET A 52 -9.660 5.991 5.268 1.00 0.00 N ATOM 796 CA MET A 52 -8.936 7.288 5.421 1.00 0.00 C ATOM 797 C MET A 52 -8.536 7.515 6.883 1.00 0.00 C ATOM 798 O MET A 52 -9.340 7.390 7.784 1.00 0.00 O ATOM 799 CB MET A 52 -9.848 8.430 4.972 1.00 0.00 C ATOM 800 CG MET A 52 -9.640 8.698 3.480 1.00 0.00 C ATOM 801 SD MET A 52 -9.274 10.453 3.232 1.00 0.00 S ATOM 802 CE MET A 52 -9.059 10.392 1.436 1.00 0.00 C ATOM 0 H MET A 52 -10.607 6.068 4.897 1.00 0.00 H new ATOM 0 HA MET A 52 -8.035 7.259 4.808 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.890 8.173 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.630 9.330 5.547 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.821 8.087 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.533 8.418 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.822 11.389 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.245 9.710 1.190 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.980 10.041 0.971 1.00 0.00 H new ATOM 812 N GLY A 53 -7.299 7.870 7.116 1.00 0.00 N ATOM 813 CA GLY A 53 -6.842 8.132 8.514 1.00 0.00 C ATOM 814 C GLY A 53 -6.299 6.848 9.145 1.00 0.00 C ATOM 815 O GLY A 53 -5.612 6.884 10.147 1.00 0.00 O ATOM 0 H GLY A 53 -6.585 7.990 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.069 8.900 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.671 8.515 9.109 1.00 0.00 H new ATOM 819 N GLN A 54 -6.602 5.717 8.576 1.00 0.00 N ATOM 820 CA GLN A 54 -6.104 4.438 9.157 1.00 0.00 C ATOM 821 C GLN A 54 -4.593 4.323 8.944 1.00 0.00 C ATOM 822 O GLN A 54 -3.997 5.086 8.214 1.00 0.00 O ATOM 823 CB GLN A 54 -6.804 3.265 8.468 1.00 0.00 C ATOM 824 CG GLN A 54 -8.151 3.010 9.145 1.00 0.00 C ATOM 825 CD GLN A 54 -8.534 1.538 8.983 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.043 0.855 7.985 1.00 0.00 O flip ATOM 827 NE2 GLN A 54 -9.288 1.004 9.771 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.172 5.621 7.735 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.318 4.420 10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.952 3.485 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.182 2.372 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.093 3.267 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.918 3.647 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.672 1.537 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.537 0.022 9.653 1.00 0.00 H new ATOM 836 N GLU A 55 -3.970 3.368 9.576 1.00 0.00 N ATOM 837 CA GLU A 55 -2.500 3.190 9.409 1.00 0.00 C ATOM 838 C GLU A 55 -2.198 1.696 9.325 1.00 0.00 C ATOM 839 O GLU A 55 -2.690 0.914 10.114 1.00 0.00 O ATOM 840 CB GLU A 55 -1.766 3.798 10.607 1.00 0.00 C ATOM 841 CG GLU A 55 -2.064 5.295 10.679 1.00 0.00 C ATOM 842 CD GLU A 55 -0.770 6.061 10.959 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.207 5.803 10.276 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.778 6.892 11.852 1.00 0.00 O ATOM 0 H GLU A 55 -4.417 2.700 10.204 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.165 3.690 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.082 3.308 11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.693 3.634 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.504 5.634 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.794 5.494 11.464 1.00 0.00 H new ATOM 851 N VAL A 56 -1.406 1.281 8.376 1.00 0.00 N ATOM 852 CA VAL A 56 -1.109 -0.175 8.268 1.00 0.00 C ATOM 853 C VAL A 56 0.360 -0.394 7.892 1.00 0.00 C ATOM 854 O VAL A 56 0.881 0.275 7.021 1.00 0.00 O ATOM 855 CB VAL A 56 -1.999 -0.790 7.186 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.451 -0.806 7.666 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.896 0.047 5.910 1.00 0.00 C ATOM 0 H VAL A 56 -0.957 1.876 7.680 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.303 -0.648 9.231 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.673 -1.810 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.084 -1.244 6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.526 -1.399 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.779 0.214 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.529 -0.389 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.224 1.066 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.862 0.061 5.567 1.00 0.00 H new ATOM 867 N PRO A 57 0.980 -1.347 8.549 1.00 0.00 N ATOM 868 CA PRO A 57 2.384 -1.702 8.290 1.00 0.00 C ATOM 869 C PRO A 57 2.453 -2.597 7.049 1.00 0.00 C ATOM 870 O PRO A 57 1.576 -3.403 6.810 1.00 0.00 O ATOM 871 CB PRO A 57 2.799 -2.476 9.544 1.00 0.00 C ATOM 872 CG PRO A 57 1.492 -3.011 10.177 1.00 0.00 C ATOM 873 CD PRO A 57 0.345 -2.151 9.615 1.00 0.00 C ATOM 0 HA PRO A 57 3.029 -0.844 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.472 -3.295 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.332 -1.830 10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.344 -4.062 9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.531 -2.941 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.460 -2.771 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.091 -1.516 10.386 1.00 0.00 H new ATOM 881 N VAL A 58 3.474 -2.464 6.253 1.00 0.00 N ATOM 882 CA VAL A 58 3.563 -3.315 5.034 1.00 0.00 C ATOM 883 C VAL A 58 5.021 -3.690 4.761 1.00 0.00 C ATOM 884 O VAL A 58 5.911 -3.386 5.532 1.00 0.00 O ATOM 885 CB VAL A 58 2.985 -2.549 3.836 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.771 -1.738 4.288 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.043 -1.600 3.261 1.00 0.00 C ATOM 0 H VAL A 58 4.245 -1.810 6.390 1.00 0.00 H new ATOM 0 HA VAL A 58 2.991 -4.229 5.190 1.00 0.00 H new ATOM 0 HB VAL A 58 2.687 -3.262 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.360 -1.194 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.013 -2.411 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.073 -1.030 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.625 -1.060 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.349 -0.888 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.909 -2.176 2.934 1.00 0.00 H new ATOM 897 N LYS A 59 5.266 -4.349 3.663 1.00 0.00 N ATOM 898 CA LYS A 59 6.657 -4.749 3.323 1.00 0.00 C ATOM 899 C LYS A 59 7.038 -4.155 1.966 1.00 0.00 C ATOM 900 O LYS A 59 6.274 -4.203 1.022 1.00 0.00 O ATOM 901 CB LYS A 59 6.737 -6.274 3.244 1.00 0.00 C ATOM 902 CG LYS A 59 6.845 -6.858 4.654 1.00 0.00 C ATOM 903 CD LYS A 59 7.630 -8.172 4.605 1.00 0.00 C ATOM 904 CE LYS A 59 6.969 -9.201 5.525 1.00 0.00 C ATOM 905 NZ LYS A 59 8.016 -9.907 6.318 1.00 0.00 N ATOM 0 H LYS A 59 4.558 -4.628 2.984 1.00 0.00 H new ATOM 0 HA LYS A 59 7.341 -4.383 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.853 -6.669 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.600 -6.572 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.343 -6.149 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.850 -7.032 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.662 -8.550 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.661 -8.003 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.264 -8.707 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.399 -9.919 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.566 -10.606 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.672 -10.391 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.541 -9.217 6.892 1.00 0.00 H new ATOM 919 N VAL A 60 8.212 -3.598 1.859 1.00 0.00 N ATOM 920 CA VAL A 60 8.640 -3.008 0.560 1.00 0.00 C ATOM 921 C VAL A 60 8.753 -4.125 -0.482 1.00 0.00 C ATOM 922 O VAL A 60 9.727 -4.852 -0.522 1.00 0.00 O ATOM 923 CB VAL A 60 9.998 -2.325 0.736 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.434 -1.699 -0.589 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.880 -1.232 1.802 1.00 0.00 C ATOM 0 H VAL A 60 8.893 -3.526 2.615 1.00 0.00 H new ATOM 0 HA VAL A 60 7.909 -2.271 0.227 1.00 0.00 H new ATOM 0 HB VAL A 60 10.738 -3.062 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.401 -1.213 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.516 -2.476 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.696 -0.961 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.846 -0.743 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.140 -0.496 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.571 -1.678 2.747 1.00 0.00 H new ATOM 935 N LEU A 61 7.762 -4.273 -1.322 1.00 0.00 N ATOM 936 CA LEU A 61 7.810 -5.344 -2.347 1.00 0.00 C ATOM 937 C LEU A 61 8.776 -4.947 -3.463 1.00 0.00 C ATOM 938 O LEU A 61 9.167 -5.768 -4.266 1.00 0.00 O ATOM 939 CB LEU A 61 6.416 -5.536 -2.933 1.00 0.00 C ATOM 940 CG LEU A 61 6.279 -6.960 -3.476 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.784 -7.885 -2.362 1.00 0.00 C ATOM 942 CD2 LEU A 61 5.273 -6.972 -4.631 1.00 0.00 C ATOM 0 H LEU A 61 6.922 -3.695 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 61 8.151 -6.272 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.661 -5.353 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.243 -4.814 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 61 7.249 -7.306 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.686 -8.900 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.498 -7.877 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.815 -7.538 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.175 -7.986 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.304 -6.625 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.623 -6.313 -5.425 1.00 0.00 H new ATOM 954 N GLU A 62 9.131 -3.685 -3.506 1.00 0.00 N ATOM 955 CA GLU A 62 10.062 -3.132 -4.550 1.00 0.00 C ATOM 956 C GLU A 62 9.242 -2.317 -5.545 1.00 0.00 C ATOM 957 O GLU A 62 8.047 -2.178 -5.401 1.00 0.00 O ATOM 958 CB GLU A 62 10.817 -4.238 -5.300 1.00 0.00 C ATOM 959 CG GLU A 62 11.624 -5.080 -4.308 1.00 0.00 C ATOM 960 CD GLU A 62 11.575 -6.551 -4.728 1.00 0.00 C ATOM 961 OE1 GLU A 62 11.600 -6.807 -5.921 1.00 0.00 O ATOM 962 OE2 GLU A 62 11.512 -7.395 -3.850 1.00 0.00 O ATOM 0 H GLU A 62 8.803 -2.988 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 62 10.806 -2.512 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.112 -4.871 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.482 -3.798 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.657 -4.734 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.219 -4.964 -3.303 1.00 0.00 H new ATOM 969 N VAL A 63 9.867 -1.766 -6.548 1.00 0.00 N ATOM 970 CA VAL A 63 9.106 -0.952 -7.539 1.00 0.00 C ATOM 971 C VAL A 63 9.064 -1.683 -8.882 1.00 0.00 C ATOM 972 O VAL A 63 9.746 -2.669 -9.085 1.00 0.00 O ATOM 973 CB VAL A 63 9.784 0.409 -7.723 1.00 0.00 C ATOM 974 CG1 VAL A 63 8.721 1.479 -7.971 1.00 0.00 C ATOM 975 CG2 VAL A 63 10.579 0.768 -6.463 1.00 0.00 C ATOM 0 H VAL A 63 10.869 -1.843 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 63 8.090 -0.804 -7.173 1.00 0.00 H new ATOM 0 HB VAL A 63 10.461 0.359 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.203 2.448 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.157 1.230 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.044 1.523 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.059 1.737 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.904 0.815 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.340 0.008 -6.284 1.00 0.00 H new ATOM 985 N ASP A 64 8.268 -1.209 -9.803 1.00 0.00 N ATOM 986 CA ASP A 64 8.183 -1.878 -11.131 1.00 0.00 C ATOM 987 C ASP A 64 9.258 -1.311 -12.060 1.00 0.00 C ATOM 988 O ASP A 64 10.159 -0.615 -11.633 1.00 0.00 O ATOM 989 CB ASP A 64 6.801 -1.632 -11.742 1.00 0.00 C ATOM 990 CG ASP A 64 6.450 -0.146 -11.638 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.367 0.655 -11.564 1.00 0.00 O ATOM 992 OD2 ASP A 64 5.271 0.165 -11.635 1.00 0.00 O ATOM 0 H ASP A 64 7.674 -0.388 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 64 8.339 -2.949 -11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.793 -1.946 -12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.052 -2.230 -11.224 1.00 0.00 H new ATOM 997 N ARG A 65 9.172 -1.607 -13.329 1.00 0.00 N ATOM 998 CA ARG A 65 10.188 -1.091 -14.289 1.00 0.00 C ATOM 999 C ARG A 65 10.040 0.426 -14.435 1.00 0.00 C ATOM 1000 O ARG A 65 10.879 1.087 -15.014 1.00 0.00 O ATOM 1001 CB ARG A 65 9.978 -1.755 -15.652 1.00 0.00 C ATOM 1002 CG ARG A 65 11.228 -1.564 -16.513 1.00 0.00 C ATOM 1003 CD ARG A 65 11.796 -2.931 -16.898 1.00 0.00 C ATOM 1004 NE ARG A 65 13.224 -2.781 -17.294 1.00 0.00 N ATOM 1005 CZ ARG A 65 13.539 -2.615 -18.549 1.00 0.00 C ATOM 1006 NH1 ARG A 65 13.046 -1.609 -19.217 1.00 0.00 N ATOM 1007 NH2 ARG A 65 14.347 -3.455 -19.136 1.00 0.00 N ATOM 0 H ARG A 65 8.440 -2.185 -13.742 1.00 0.00 H new ATOM 0 HA ARG A 65 11.186 -1.321 -13.917 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.772 -2.817 -15.522 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.111 -1.321 -16.150 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.982 -0.995 -17.410 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.975 -0.989 -15.966 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.711 -3.622 -16.059 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.222 -3.357 -17.721 1.00 0.00 H new ATOM 0 HE ARG A 65 13.956 -2.808 -16.584 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.414 -0.953 -18.758 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.292 -1.479 -20.198 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.732 -4.242 -18.614 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.593 -3.325 -20.117 1.00 0.00 H new ATOM 1021 N GLN A 66 8.979 0.984 -13.915 1.00 0.00 N ATOM 1022 CA GLN A 66 8.787 2.458 -14.030 1.00 0.00 C ATOM 1023 C GLN A 66 9.120 3.124 -12.692 1.00 0.00 C ATOM 1024 O GLN A 66 10.265 3.413 -12.402 1.00 0.00 O ATOM 1025 CB GLN A 66 7.335 2.755 -14.409 1.00 0.00 C ATOM 1026 CG GLN A 66 7.180 2.683 -15.929 1.00 0.00 C ATOM 1027 CD GLN A 66 5.695 2.704 -16.295 1.00 0.00 C ATOM 1028 OE1 GLN A 66 5.142 1.699 -16.697 1.00 0.00 O ATOM 1029 NE2 GLN A 66 5.021 3.815 -16.173 1.00 0.00 N ATOM 0 H GLN A 66 8.241 0.485 -13.418 1.00 0.00 H new ATOM 0 HA GLN A 66 9.448 2.852 -14.801 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.669 2.037 -13.930 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.049 3.744 -14.050 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.692 3.524 -16.397 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.646 1.774 -16.310 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.485 4.658 -15.836 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.030 3.840 -16.415 1.00 0.00 H new ATOM 1038 N GLY A 67 8.134 3.371 -11.870 1.00 0.00 N ATOM 1039 CA GLY A 67 8.409 4.018 -10.556 1.00 0.00 C ATOM 1040 C GLY A 67 7.159 3.952 -9.676 1.00 0.00 C ATOM 1041 O GLY A 67 6.735 4.939 -9.109 1.00 0.00 O ATOM 0 H GLY A 67 7.154 3.153 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.241 3.517 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.705 5.056 -10.706 1.00 0.00 H new ATOM 1045 N ARG A 68 6.567 2.796 -9.553 1.00 0.00 N ATOM 1046 CA ARG A 68 5.346 2.670 -8.705 1.00 0.00 C ATOM 1047 C ARG A 68 5.697 1.912 -7.422 1.00 0.00 C ATOM 1048 O ARG A 68 5.689 0.697 -7.387 1.00 0.00 O ATOM 1049 CB ARG A 68 4.266 1.906 -9.474 1.00 0.00 C ATOM 1050 CG ARG A 68 3.874 2.694 -10.725 1.00 0.00 C ATOM 1051 CD ARG A 68 2.457 3.244 -10.560 1.00 0.00 C ATOM 1052 NE ARG A 68 2.096 4.054 -11.759 1.00 0.00 N ATOM 1053 CZ ARG A 68 2.845 5.061 -12.116 1.00 0.00 C ATOM 1054 NH1 ARG A 68 3.921 4.856 -12.825 1.00 0.00 N ATOM 1055 NH2 ARG A 68 2.518 6.273 -11.761 1.00 0.00 N ATOM 0 H ARG A 68 6.875 1.933 -10.002 1.00 0.00 H new ATOM 0 HA ARG A 68 4.973 3.662 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.634 0.919 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.393 1.753 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.576 3.512 -10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.926 2.051 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.749 2.424 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.396 3.858 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 68 1.263 3.821 -12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.177 3.908 -13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.506 5.644 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.678 6.432 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.103 7.061 -12.039 1.00 0.00 H new ATOM 1069 N ILE A 69 6.008 2.620 -6.370 1.00 0.00 N ATOM 1070 CA ILE A 69 6.363 1.942 -5.088 1.00 0.00 C ATOM 1071 C ILE A 69 5.397 0.782 -4.835 1.00 0.00 C ATOM 1072 O ILE A 69 4.241 0.985 -4.522 1.00 0.00 O ATOM 1073 CB ILE A 69 6.268 2.937 -3.929 1.00 0.00 C ATOM 1074 CG1 ILE A 69 6.859 4.286 -4.355 1.00 0.00 C ATOM 1075 CG2 ILE A 69 7.048 2.391 -2.731 1.00 0.00 C ATOM 1076 CD1 ILE A 69 7.098 5.157 -3.119 1.00 0.00 C ATOM 0 H ILE A 69 6.032 3.639 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 69 7.382 1.563 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 69 5.223 3.076 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.796 4.131 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.180 4.791 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.983 3.096 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.624 1.434 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.093 2.253 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.518 6.115 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.152 5.323 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.794 4.653 -2.448 1.00 0.00 H new ATOM 1088 N ARG A 70 5.859 -0.430 -4.971 1.00 0.00 N ATOM 1089 CA ARG A 70 4.963 -1.599 -4.737 1.00 0.00 C ATOM 1090 C ARG A 70 5.050 -2.035 -3.270 1.00 0.00 C ATOM 1091 O ARG A 70 5.927 -2.785 -2.875 1.00 0.00 O ATOM 1092 CB ARG A 70 5.379 -2.759 -5.647 1.00 0.00 C ATOM 1093 CG ARG A 70 4.196 -3.172 -6.525 1.00 0.00 C ATOM 1094 CD ARG A 70 3.083 -3.752 -5.652 1.00 0.00 C ATOM 1095 NE ARG A 70 2.097 -4.466 -6.513 1.00 0.00 N ATOM 1096 CZ ARG A 70 1.472 -3.824 -7.463 1.00 0.00 C ATOM 1097 NH1 ARG A 70 0.355 -3.199 -7.206 1.00 0.00 N ATOM 1098 NH2 ARG A 70 1.961 -3.811 -8.674 1.00 0.00 N ATOM 0 H ARG A 70 6.817 -0.662 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 70 3.936 -1.314 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.221 -2.461 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.711 -3.605 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.824 -2.310 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.517 -3.910 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.503 -4.438 -4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.588 -2.955 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 70 1.910 -5.457 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.031 -3.212 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.132 -2.698 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.831 -4.302 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.473 -3.309 -9.416 1.00 0.00 H new ATOM 1112 N LEU A 71 4.138 -1.574 -2.458 1.00 0.00 N ATOM 1113 CA LEU A 71 4.152 -1.961 -1.021 1.00 0.00 C ATOM 1114 C LEU A 71 3.249 -3.178 -0.827 1.00 0.00 C ATOM 1115 O LEU A 71 2.322 -3.400 -1.580 1.00 0.00 O ATOM 1116 CB LEU A 71 3.632 -0.799 -0.173 1.00 0.00 C ATOM 1117 CG LEU A 71 4.748 0.226 0.026 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.238 1.365 0.908 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.944 -0.447 0.703 1.00 0.00 C ATOM 0 H LEU A 71 3.383 -0.945 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 71 5.169 -2.202 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.777 -0.332 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.285 -1.166 0.793 1.00 0.00 H new ATOM 0 HG LEU A 71 5.055 0.623 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.032 2.098 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.385 1.844 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.932 0.967 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.740 0.284 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.638 -0.844 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.307 -1.261 0.076 1.00 0.00 H new ATOM 1131 N SER A 72 3.511 -3.972 0.171 1.00 0.00 N ATOM 1132 CA SER A 72 2.665 -5.175 0.396 1.00 0.00 C ATOM 1133 C SER A 72 2.035 -5.121 1.789 1.00 0.00 C ATOM 1134 O SER A 72 2.672 -5.415 2.782 1.00 0.00 O ATOM 1135 CB SER A 72 3.529 -6.424 0.273 1.00 0.00 C ATOM 1136 OG SER A 72 3.122 -7.167 -0.869 1.00 0.00 O ATOM 0 H SER A 72 4.271 -3.841 0.838 1.00 0.00 H new ATOM 0 HA SER A 72 1.870 -5.202 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.579 -6.146 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.435 -7.035 1.171 1.00 0.00 H new ATOM 0 HG SER A 72 3.289 -8.120 -0.716 1.00 0.00 H new ATOM 1142 N ILE A 73 0.785 -4.750 1.872 1.00 0.00 N ATOM 1143 CA ILE A 73 0.114 -4.681 3.200 1.00 0.00 C ATOM 1144 C ILE A 73 0.454 -5.948 3.997 1.00 0.00 C ATOM 1145 O ILE A 73 0.463 -7.041 3.468 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.411 -4.531 2.990 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.812 -3.086 3.313 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.202 -5.494 3.893 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.330 -2.987 3.498 1.00 0.00 C ATOM 0 H ILE A 73 0.201 -4.492 1.077 1.00 0.00 H new ATOM 0 HA ILE A 73 0.464 -3.818 3.766 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.645 -4.775 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.305 -2.754 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.492 -2.424 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.270 -5.361 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.922 -6.522 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.975 -5.282 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.602 -1.957 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.829 -3.299 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.640 -3.635 4.318 1.00 0.00 H new ATOM 1161 N LYS A 74 0.735 -5.803 5.263 1.00 0.00 N ATOM 1162 CA LYS A 74 1.079 -6.994 6.091 1.00 0.00 C ATOM 1163 C LYS A 74 0.040 -8.097 5.873 1.00 0.00 C ATOM 1164 O LYS A 74 -1.108 -7.835 5.575 1.00 0.00 O ATOM 1165 CB LYS A 74 1.097 -6.597 7.570 1.00 0.00 C ATOM 1166 CG LYS A 74 2.543 -6.554 8.067 1.00 0.00 C ATOM 1167 CD LYS A 74 2.915 -7.905 8.679 1.00 0.00 C ATOM 1168 CE LYS A 74 4.282 -7.797 9.359 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.286 -8.580 8.583 1.00 0.00 N ATOM 0 H LYS A 74 0.741 -4.912 5.760 1.00 0.00 H new ATOM 0 HA LYS A 74 2.062 -7.364 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.626 -5.623 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.520 -7.312 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.215 -6.320 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.660 -5.763 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.159 -8.209 9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.941 -8.672 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.588 -6.753 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.223 -8.173 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.763 -9.255 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.807 -9.099 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.989 -7.933 8.173 1.00 0.00 H new ATOM 1183 N GLU A 75 0.436 -9.331 6.023 1.00 0.00 N ATOM 1184 CA GLU A 75 -0.525 -10.453 5.831 1.00 0.00 C ATOM 1185 C GLU A 75 -1.130 -10.376 4.429 1.00 0.00 C ATOM 1186 O GLU A 75 -2.306 -10.611 4.237 1.00 0.00 O ATOM 1187 CB GLU A 75 -1.639 -10.349 6.874 1.00 0.00 C ATOM 1188 CG GLU A 75 -2.066 -11.753 7.305 1.00 0.00 C ATOM 1189 CD GLU A 75 -1.576 -12.019 8.730 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -1.483 -11.069 9.490 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -1.301 -13.168 9.035 1.00 0.00 O ATOM 0 H GLU A 75 1.385 -9.611 6.271 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.003 -11.403 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.292 -9.782 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.491 -9.809 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.151 -11.845 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.654 -12.496 6.622 1.00 0.00 H new ATOM 1198 N ALA A 76 -0.336 -10.050 3.446 1.00 0.00 N ATOM 1199 CA ALA A 76 -0.869 -9.963 2.057 1.00 0.00 C ATOM 1200 C ALA A 76 -0.326 -11.129 1.229 1.00 0.00 C ATOM 1201 O ALA A 76 0.645 -11.732 1.656 1.00 0.00 O ATOM 1202 CB ALA A 76 -0.433 -8.640 1.421 1.00 0.00 C ATOM 1203 OXT ALA A 76 -0.892 -11.400 0.183 1.00 0.00 O ATOM 0 H ALA A 76 0.657 -9.840 3.544 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.958 -10.010 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.824 -8.578 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.820 -7.808 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.656 -8.590 1.395 1.00 0.00 H new TER 1209 ALA A 76