USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 76 GLN : amide:sc= -3.86! C(o=-3.7!,f=-5.6!) USER MOD Set 1.2: A 77 THR OG1 : rot -33:sc= 0.132 USER MOD Set 2.1: A 56 GLN : amide:sc= -6.31! C(o=-9!,f=-9.3!) USER MOD Set 2.2: A 62 SER OG : rot -171:sc= -2.71! USER MOD Set 3.1: A 27 LYS NZ :NH3+ -161:sc= 0.581 (180deg=-0.00454) USER MOD Set 3.2: A 29 SER OG : rot 150:sc= 0.144 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.52! K(o=-3.5!,f=-5.2) USER MOD Single : A 25 ASN : amide:sc= 0.128 K(o=0.13,f=-3.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -110:sc= -0.675 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 47:sc= -0.86! USER MOD Single : A 43 THR OG1 : rot -160:sc= -0.272 USER MOD Single : A 49 MET CE :methyl -143:sc= -0.365 (180deg=-1.57!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.065 (180deg=-0.653) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1) USER MOD Single : A 83 MET CE :methyl -148:sc= -3.51! (180deg=-6.72!) USER MOD Single : A 86 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.654 -1.678 -0.541 1.00 0.00 N ATOM 18 CA THR A 22 4.379 -2.935 -0.615 1.00 0.00 C ATOM 19 C THR A 22 4.905 -3.329 0.766 1.00 0.00 C ATOM 20 O THR A 22 5.293 -2.469 1.555 1.00 0.00 O ATOM 21 CB THR A 22 5.481 -2.785 -1.666 1.00 0.00 C ATOM 22 OG1 THR A 22 5.693 -4.112 -2.138 1.00 0.00 O ATOM 23 CG2 THR A 22 6.825 -2.389 -1.051 1.00 0.00 C ATOM 0 HA THR A 22 3.725 -3.751 -0.924 1.00 0.00 H new ATOM 0 HB THR A 22 5.183 -2.037 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.392 -4.107 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.572 -2.296 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.722 -1.435 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.140 -3.154 -0.341 1.00 0.00 H new ATOM 31 N HIS A 23 4.902 -4.630 1.016 1.00 0.00 N ATOM 32 CA HIS A 23 5.375 -5.149 2.288 1.00 0.00 C ATOM 33 C HIS A 23 6.903 -5.230 2.274 1.00 0.00 C ATOM 34 O HIS A 23 7.480 -6.002 1.509 1.00 0.00 O ATOM 35 CB HIS A 23 4.713 -6.491 2.608 1.00 0.00 C ATOM 36 CG HIS A 23 4.976 -6.987 4.009 1.00 0.00 C ATOM 37 ND1 HIS A 23 5.815 -6.330 4.892 1.00 0.00 N ATOM 38 CD2 HIS A 23 4.502 -8.082 4.671 1.00 0.00 C ATOM 39 CE1 HIS A 23 5.838 -7.008 6.031 1.00 0.00 C ATOM 40 NE2 HIS A 23 5.024 -8.093 5.891 1.00 0.00 N ATOM 0 H HIS A 23 4.579 -5.340 0.359 1.00 0.00 H new ATOM 0 HA HIS A 23 5.089 -4.469 3.090 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.637 -6.397 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.067 -7.238 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.818 -8.815 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.402 -6.747 6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.846 -8.798 6.607 1.00 0.00 H new ATOM 48 N ILE A 24 7.514 -4.424 3.129 1.00 0.00 N ATOM 49 CA ILE A 24 8.964 -4.395 3.224 1.00 0.00 C ATOM 50 C ILE A 24 9.370 -3.964 4.634 1.00 0.00 C ATOM 51 O ILE A 24 8.514 -3.717 5.483 1.00 0.00 O ATOM 52 CB ILE A 24 9.556 -3.519 2.118 1.00 0.00 C ATOM 53 CG1 ILE A 24 9.376 -2.034 2.440 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.968 -3.885 0.754 1.00 0.00 C ATOM 55 CD1 ILE A 24 10.290 -1.169 1.570 1.00 0.00 C ATOM 0 H ILE A 24 7.032 -3.786 3.762 1.00 0.00 H new ATOM 0 HA ILE A 24 9.376 -5.391 3.064 1.00 0.00 H new ATOM 0 HB ILE A 24 10.628 -3.710 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.337 -1.747 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.596 -1.857 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.406 -3.247 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.191 -4.928 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.888 -3.741 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.142 -0.118 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.330 -1.442 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.051 -1.330 0.519 1.00 0.00 H new ATOM 67 N ASN A 25 10.676 -3.885 4.842 1.00 0.00 N ATOM 68 CA ASN A 25 11.206 -3.488 6.135 1.00 0.00 C ATOM 69 C ASN A 25 11.808 -2.085 6.026 1.00 0.00 C ATOM 70 O ASN A 25 12.097 -1.614 4.927 1.00 0.00 O ATOM 71 CB ASN A 25 12.310 -4.442 6.595 1.00 0.00 C ATOM 72 CG ASN A 25 13.573 -4.266 5.750 1.00 0.00 C ATOM 73 OD1 ASN A 25 13.529 -4.161 4.535 1.00 0.00 O ATOM 74 ND2 ASN A 25 14.699 -4.242 6.458 1.00 0.00 N ATOM 0 H ASN A 25 11.383 -4.089 4.136 1.00 0.00 H new ATOM 0 HA ASN A 25 10.388 -3.510 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.541 -4.258 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.960 -5.472 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.596 -4.130 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.665 -4.335 7.473 1.00 0.00 H new ATOM 81 N LEU A 26 11.978 -1.458 7.180 1.00 0.00 N ATOM 82 CA LEU A 26 12.541 -0.119 7.228 1.00 0.00 C ATOM 83 C LEU A 26 13.672 -0.082 8.257 1.00 0.00 C ATOM 84 O LEU A 26 13.595 -0.739 9.294 1.00 0.00 O ATOM 85 CB LEU A 26 11.442 0.915 7.484 1.00 0.00 C ATOM 86 CG LEU A 26 11.845 2.127 8.327 1.00 0.00 C ATOM 87 CD1 LEU A 26 11.336 3.426 7.698 1.00 0.00 C ATOM 88 CD2 LEU A 26 11.376 1.969 9.775 1.00 0.00 C ATOM 0 H LEU A 26 11.736 -1.852 8.089 1.00 0.00 H new ATOM 0 HA LEU A 26 12.978 0.145 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.075 1.272 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.608 0.415 7.977 1.00 0.00 H new ATOM 0 HG LEU A 26 12.933 2.183 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.636 4.272 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.760 3.538 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.249 3.395 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.675 2.844 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.290 1.874 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.828 1.077 10.208 1.00 0.00 H new ATOM 100 N LYS A 27 14.697 0.694 7.935 1.00 0.00 N ATOM 101 CA LYS A 27 15.843 0.825 8.818 1.00 0.00 C ATOM 102 C LYS A 27 16.165 2.308 9.011 1.00 0.00 C ATOM 103 O LYS A 27 16.561 2.989 8.066 1.00 0.00 O ATOM 104 CB LYS A 27 17.022 0.003 8.293 1.00 0.00 C ATOM 105 CG LYS A 27 18.128 -0.104 9.344 1.00 0.00 C ATOM 106 CD LYS A 27 18.635 1.282 9.749 1.00 0.00 C ATOM 107 CE LYS A 27 20.095 1.220 10.204 1.00 0.00 C ATOM 108 NZ LYS A 27 21.001 1.170 9.034 1.00 0.00 N ATOM 0 H LYS A 27 14.757 1.238 7.075 1.00 0.00 H new ATOM 0 HA LYS A 27 15.614 0.417 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.680 -0.995 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.418 0.465 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.751 -0.628 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.954 -0.696 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.541 1.968 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.016 1.679 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.329 2.092 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.250 0.341 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.931 0.811 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.600 0.539 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.109 2.125 8.637 1.00 0.00 H new ATOM 121 N VAL A 28 15.985 2.765 10.242 1.00 0.00 N ATOM 122 CA VAL A 28 16.252 4.155 10.571 1.00 0.00 C ATOM 123 C VAL A 28 17.645 4.268 11.194 1.00 0.00 C ATOM 124 O VAL A 28 17.930 3.631 12.206 1.00 0.00 O ATOM 125 CB VAL A 28 15.146 4.699 11.477 1.00 0.00 C ATOM 126 CG1 VAL A 28 13.797 4.061 11.140 1.00 0.00 C ATOM 127 CG2 VAL A 28 15.495 4.495 12.953 1.00 0.00 C ATOM 0 H VAL A 28 15.657 2.197 11.023 1.00 0.00 H new ATOM 0 HA VAL A 28 16.248 4.769 9.670 1.00 0.00 H new ATOM 0 HB VAL A 28 15.064 5.771 11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.029 4.465 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.539 4.281 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.861 2.981 11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.692 4.891 13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.619 3.431 13.154 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.423 5.018 13.183 1.00 0.00 H new ATOM 137 N SER A 29 18.475 5.085 10.562 1.00 0.00 N ATOM 138 CA SER A 29 19.831 5.291 11.041 1.00 0.00 C ATOM 139 C SER A 29 20.013 6.742 11.492 1.00 0.00 C ATOM 140 O SER A 29 19.563 7.666 10.816 1.00 0.00 O ATOM 141 CB SER A 29 20.856 4.939 9.962 1.00 0.00 C ATOM 142 OG SER A 29 20.385 3.911 9.094 1.00 0.00 O ATOM 0 H SER A 29 18.234 5.612 9.722 1.00 0.00 H new ATOM 0 HA SER A 29 19.997 4.629 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.088 5.829 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.784 4.618 10.435 1.00 0.00 H new ATOM 0 HG SER A 29 20.777 4.030 8.204 1.00 0.00 H new ATOM 148 N ASP A 30 20.672 6.896 12.631 1.00 0.00 N ATOM 149 CA ASP A 30 20.918 8.219 13.180 1.00 0.00 C ATOM 150 C ASP A 30 22.204 8.191 14.008 1.00 0.00 C ATOM 151 O ASP A 30 22.627 7.132 14.470 1.00 0.00 O ATOM 152 CB ASP A 30 19.774 8.656 14.097 1.00 0.00 C ATOM 153 CG ASP A 30 18.376 8.255 13.624 1.00 0.00 C ATOM 154 OD1 ASP A 30 18.020 8.443 12.451 1.00 0.00 O ATOM 155 OD2 ASP A 30 17.626 7.722 14.528 1.00 0.00 O ATOM 0 H ASP A 30 21.043 6.127 13.189 1.00 0.00 H new ATOM 0 HA ASP A 30 21.001 8.919 12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.941 8.233 15.088 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.808 9.740 14.203 1.00 0.00 H new ATOM 161 N GLY A 31 22.791 9.368 14.170 1.00 0.00 N ATOM 162 CA GLY A 31 24.020 9.492 14.935 1.00 0.00 C ATOM 163 C GLY A 31 24.205 8.299 15.874 1.00 0.00 C ATOM 164 O GLY A 31 25.057 7.444 15.638 1.00 0.00 O ATOM 0 H GLY A 31 22.438 10.244 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 31 24.870 9.560 14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.000 10.415 15.514 1.00 0.00 H new ATOM 168 N SER A 32 23.392 8.279 16.921 1.00 0.00 N ATOM 169 CA SER A 32 23.455 7.205 17.897 1.00 0.00 C ATOM 170 C SER A 32 22.102 6.495 17.982 1.00 0.00 C ATOM 171 O SER A 32 21.961 5.505 18.697 1.00 0.00 O ATOM 172 CB SER A 32 23.863 7.735 19.273 1.00 0.00 C ATOM 173 OG SER A 32 24.454 6.721 20.082 1.00 0.00 O ATOM 0 H SER A 32 22.686 8.990 17.114 1.00 0.00 H new ATOM 0 HA SER A 32 24.213 6.492 17.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.568 8.558 19.150 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.987 8.139 19.780 1.00 0.00 H new ATOM 0 HG SER A 32 24.702 7.099 20.951 1.00 0.00 H new ATOM 179 N SER A 33 21.142 7.030 17.241 1.00 0.00 N ATOM 180 CA SER A 33 19.806 6.460 17.224 1.00 0.00 C ATOM 181 C SER A 33 19.618 5.604 15.969 1.00 0.00 C ATOM 182 O SER A 33 19.403 6.133 14.880 1.00 0.00 O ATOM 183 CB SER A 33 18.739 7.555 17.284 1.00 0.00 C ATOM 184 OG SER A 33 18.275 7.775 18.613 1.00 0.00 O ATOM 0 H SER A 33 21.263 7.851 16.649 1.00 0.00 H new ATOM 0 HA SER A 33 19.692 5.830 18.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.149 8.483 16.885 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.899 7.278 16.648 1.00 0.00 H new ATOM 0 HG SER A 33 17.353 7.454 18.695 1.00 0.00 H new ATOM 190 N GLU A 34 19.707 4.297 16.164 1.00 0.00 N ATOM 191 CA GLU A 34 19.550 3.363 15.062 1.00 0.00 C ATOM 192 C GLU A 34 18.582 2.243 15.449 1.00 0.00 C ATOM 193 O GLU A 34 18.805 1.537 16.432 1.00 0.00 O ATOM 194 CB GLU A 34 20.902 2.794 14.629 1.00 0.00 C ATOM 195 CG GLU A 34 21.857 3.912 14.205 1.00 0.00 C ATOM 196 CD GLU A 34 23.283 3.625 14.682 1.00 0.00 C ATOM 197 OE1 GLU A 34 24.059 2.980 13.961 1.00 0.00 O ATOM 198 OE2 GLU A 34 23.574 4.098 15.846 1.00 0.00 O ATOM 0 H GLU A 34 19.886 3.862 17.069 1.00 0.00 H new ATOM 0 HA GLU A 34 19.131 3.901 14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.342 2.227 15.450 1.00 0.00 H new ATOM 0 HB3 GLU A 34 20.760 2.099 13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.846 4.013 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.516 4.862 14.617 1.00 0.00 H new ATOM 206 N ILE A 35 17.528 2.115 14.657 1.00 0.00 N ATOM 207 CA ILE A 35 16.525 1.093 14.905 1.00 0.00 C ATOM 208 C ILE A 35 16.101 0.468 13.574 1.00 0.00 C ATOM 209 O ILE A 35 16.363 1.026 12.510 1.00 0.00 O ATOM 210 CB ILE A 35 15.360 1.670 15.712 1.00 0.00 C ATOM 211 CG1 ILE A 35 15.360 1.123 17.141 1.00 0.00 C ATOM 212 CG2 ILE A 35 14.027 1.422 15.003 1.00 0.00 C ATOM 213 CD1 ILE A 35 14.561 -0.178 17.230 1.00 0.00 C ATOM 0 H ILE A 35 17.346 2.702 13.843 1.00 0.00 H new ATOM 0 HA ILE A 35 16.940 0.292 15.517 1.00 0.00 H new ATOM 0 HB ILE A 35 15.492 2.750 15.780 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.385 0.947 17.467 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.933 1.863 17.818 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.215 1.842 15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.042 1.898 14.022 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.872 0.350 14.884 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.577 -0.545 18.256 1.00 0.00 H new ATOM 0 HD12 ILE A 35 13.530 0.006 16.927 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.005 -0.924 16.571 1.00 0.00 H new ATOM 225 N PHE A 36 15.454 -0.684 13.678 1.00 0.00 N ATOM 226 CA PHE A 36 14.992 -1.391 12.496 1.00 0.00 C ATOM 227 C PHE A 36 13.727 -2.197 12.799 1.00 0.00 C ATOM 228 O PHE A 36 13.620 -2.818 13.855 1.00 0.00 O ATOM 229 CB PHE A 36 16.108 -2.353 12.085 1.00 0.00 C ATOM 230 CG PHE A 36 16.769 -3.078 13.260 1.00 0.00 C ATOM 231 CD1 PHE A 36 17.720 -2.448 14.000 1.00 0.00 C ATOM 232 CD2 PHE A 36 16.405 -4.353 13.563 1.00 0.00 C ATOM 233 CE1 PHE A 36 18.333 -3.120 15.090 1.00 0.00 C ATOM 234 CE2 PHE A 36 17.018 -5.026 14.653 1.00 0.00 C ATOM 235 CZ PHE A 36 17.969 -4.395 15.394 1.00 0.00 C ATOM 0 H PHE A 36 15.239 -1.145 14.562 1.00 0.00 H new ATOM 0 HA PHE A 36 14.757 -0.679 11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.700 -3.094 11.397 1.00 0.00 H new ATOM 0 HB3 PHE A 36 16.870 -1.797 11.539 1.00 0.00 H new ATOM 0 HD1 PHE A 36 18.009 -1.436 13.758 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.650 -4.853 12.975 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.088 -2.619 15.678 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.729 -6.038 14.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.435 -4.906 16.223 1.00 0.00 H new ATOM 245 N PHE A 37 12.800 -2.160 11.853 1.00 0.00 N ATOM 246 CA PHE A 37 11.546 -2.879 12.006 1.00 0.00 C ATOM 247 C PHE A 37 10.905 -3.158 10.645 1.00 0.00 C ATOM 248 O PHE A 37 11.239 -2.512 9.653 1.00 0.00 O ATOM 249 CB PHE A 37 10.613 -1.982 12.822 1.00 0.00 C ATOM 250 CG PHE A 37 10.783 -2.121 14.336 1.00 0.00 C ATOM 251 CD1 PHE A 37 10.806 -3.355 14.908 1.00 0.00 C ATOM 252 CD2 PHE A 37 10.911 -1.011 15.110 1.00 0.00 C ATOM 253 CE1 PHE A 37 10.964 -3.484 16.313 1.00 0.00 C ATOM 254 CE2 PHE A 37 11.069 -1.139 16.516 1.00 0.00 C ATOM 255 CZ PHE A 37 11.092 -2.373 17.087 1.00 0.00 C ATOM 0 H PHE A 37 12.892 -1.644 10.978 1.00 0.00 H new ATOM 0 HA PHE A 37 11.723 -3.836 12.497 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.787 -0.943 12.541 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.581 -2.215 12.560 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.704 -4.237 14.293 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.893 -0.031 14.656 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.983 -4.464 16.767 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.171 -0.257 17.131 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.212 -2.471 18.156 1.00 0.00 H new ATOM 265 N LYS A 38 9.995 -4.121 10.642 1.00 0.00 N ATOM 266 CA LYS A 38 9.304 -4.494 9.419 1.00 0.00 C ATOM 267 C LYS A 38 7.890 -3.910 9.439 1.00 0.00 C ATOM 268 O LYS A 38 7.231 -3.907 10.478 1.00 0.00 O ATOM 269 CB LYS A 38 9.341 -6.011 9.224 1.00 0.00 C ATOM 270 CG LYS A 38 10.685 -6.458 8.646 1.00 0.00 C ATOM 271 CD LYS A 38 10.489 -7.252 7.353 1.00 0.00 C ATOM 272 CE LYS A 38 11.757 -8.027 6.988 1.00 0.00 C ATOM 273 NZ LYS A 38 11.594 -8.700 5.680 1.00 0.00 N ATOM 0 H LYS A 38 9.720 -4.654 11.467 1.00 0.00 H new ATOM 0 HA LYS A 38 9.811 -4.072 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.169 -6.508 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.535 -6.315 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.309 -5.586 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.213 -7.071 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.656 -7.945 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.227 -6.573 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.608 -7.347 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.974 -8.766 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.463 -9.221 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.795 -9.364 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.409 -7.989 4.944 1.00 0.00 H new ATOM 286 N ILE A 39 7.466 -3.430 8.279 1.00 0.00 N ATOM 287 CA ILE A 39 6.142 -2.845 8.151 1.00 0.00 C ATOM 288 C ILE A 39 5.539 -3.251 6.805 1.00 0.00 C ATOM 289 O ILE A 39 6.263 -3.447 5.830 1.00 0.00 O ATOM 290 CB ILE A 39 6.202 -1.332 8.367 1.00 0.00 C ATOM 291 CG1 ILE A 39 7.154 -0.979 9.512 1.00 0.00 C ATOM 292 CG2 ILE A 39 4.803 -0.754 8.587 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.598 -0.883 9.014 1.00 0.00 C ATOM 0 H ILE A 39 8.016 -3.434 7.420 1.00 0.00 H new ATOM 0 HA ILE A 39 5.479 -3.228 8.927 1.00 0.00 H new ATOM 0 HB ILE A 39 6.602 -0.873 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.856 -0.031 9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.085 -1.735 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.874 0.323 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.184 -0.958 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.353 -1.215 9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.254 -0.631 9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.901 -1.840 8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.669 -0.109 8.250 1.00 0.00 H new ATOM 305 N LYS A 40 4.219 -3.363 6.794 1.00 0.00 N ATOM 306 CA LYS A 40 3.510 -3.742 5.583 1.00 0.00 C ATOM 307 C LYS A 40 3.328 -2.508 4.697 1.00 0.00 C ATOM 308 O LYS A 40 2.203 -2.137 4.366 1.00 0.00 O ATOM 309 CB LYS A 40 2.198 -4.449 5.930 1.00 0.00 C ATOM 310 CG LYS A 40 1.444 -4.858 4.662 1.00 0.00 C ATOM 311 CD LYS A 40 1.713 -6.324 4.314 1.00 0.00 C ATOM 312 CE LYS A 40 0.583 -7.223 4.820 1.00 0.00 C ATOM 313 NZ LYS A 40 0.848 -7.657 6.210 1.00 0.00 N ATOM 0 H LYS A 40 3.622 -3.198 7.604 1.00 0.00 H new ATOM 0 HA LYS A 40 4.092 -4.463 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.405 -5.332 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.573 -3.789 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.374 -4.705 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.749 -4.221 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.813 -6.433 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.659 -6.639 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.365 -6.686 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.487 -8.095 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.097 -8.307 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.766 -8.143 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.867 -6.826 6.835 1.00 0.00 H new ATOM 326 N LYS A 41 4.452 -1.906 4.338 1.00 0.00 N ATOM 327 CA LYS A 41 4.431 -0.721 3.497 1.00 0.00 C ATOM 328 C LYS A 41 5.864 -0.236 3.271 1.00 0.00 C ATOM 329 O LYS A 41 6.695 -0.299 4.177 1.00 0.00 O ATOM 330 CB LYS A 41 3.508 0.343 4.093 1.00 0.00 C ATOM 331 CG LYS A 41 2.373 0.688 3.127 1.00 0.00 C ATOM 332 CD LYS A 41 1.469 1.776 3.709 1.00 0.00 C ATOM 333 CE LYS A 41 0.272 1.163 4.438 1.00 0.00 C ATOM 334 NZ LYS A 41 0.084 1.804 5.759 1.00 0.00 N ATOM 0 H LYS A 41 5.384 -2.217 4.614 1.00 0.00 H new ATOM 0 HA LYS A 41 4.016 -0.957 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.092 -0.017 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.082 1.241 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.789 1.025 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.784 -0.205 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.040 2.397 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.117 2.428 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.629 1.285 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.427 0.092 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.733 1.376 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.938 1.665 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.085 2.822 5.630 1.00 0.00 H new ATOM 347 N THR A 42 6.111 0.238 2.059 1.00 0.00 N ATOM 348 CA THR A 42 7.429 0.734 1.703 1.00 0.00 C ATOM 349 C THR A 42 7.540 2.227 2.019 1.00 0.00 C ATOM 350 O THR A 42 8.554 2.680 2.548 1.00 0.00 O ATOM 351 CB THR A 42 7.676 0.405 0.230 1.00 0.00 C ATOM 352 OG1 THR A 42 8.681 1.333 -0.170 1.00 0.00 O ATOM 353 CG2 THR A 42 6.477 0.748 -0.657 1.00 0.00 C ATOM 0 H THR A 42 5.420 0.289 1.311 1.00 0.00 H new ATOM 0 HA THR A 42 8.207 0.250 2.294 1.00 0.00 H new ATOM 0 HB THR A 42 7.909 -0.655 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.394 1.353 0.502 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.706 0.495 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.607 0.180 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.263 1.814 -0.583 1.00 0.00 H new ATOM 361 N THR A 43 6.483 2.951 1.680 1.00 0.00 N ATOM 362 CA THR A 43 6.450 4.384 1.921 1.00 0.00 C ATOM 363 C THR A 43 7.306 4.741 3.138 1.00 0.00 C ATOM 364 O THR A 43 6.816 4.750 4.266 1.00 0.00 O ATOM 365 CB THR A 43 4.986 4.805 2.064 1.00 0.00 C ATOM 366 OG1 THR A 43 5.045 6.025 2.798 1.00 0.00 O ATOM 367 CG2 THR A 43 4.192 3.863 2.971 1.00 0.00 C ATOM 0 H THR A 43 5.644 2.573 1.241 1.00 0.00 H new ATOM 0 HA THR A 43 6.883 4.935 1.086 1.00 0.00 H new ATOM 0 HB THR A 43 4.521 4.839 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.173 6.203 3.207 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.160 4.207 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.212 2.855 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.637 3.855 3.966 1.00 0.00 H new ATOM 375 N PRO A 44 8.605 5.033 2.860 1.00 0.00 N ATOM 376 CA PRO A 44 9.534 5.390 3.918 1.00 0.00 C ATOM 377 C PRO A 44 9.282 6.816 4.412 1.00 0.00 C ATOM 378 O PRO A 44 9.229 7.059 5.617 1.00 0.00 O ATOM 379 CB PRO A 44 10.914 5.208 3.308 1.00 0.00 C ATOM 380 CG PRO A 44 10.707 5.207 1.802 1.00 0.00 C ATOM 381 CD PRO A 44 9.221 5.033 1.536 1.00 0.00 C ATOM 0 HA PRO A 44 9.420 4.767 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.584 6.013 3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.368 4.275 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.066 6.140 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.275 4.400 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.832 5.842 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.020 4.102 1.006 1.00 0.00 H new ATOM 389 N LEU A 45 9.135 7.722 3.456 1.00 0.00 N ATOM 390 CA LEU A 45 8.889 9.117 3.779 1.00 0.00 C ATOM 391 C LEU A 45 7.937 9.200 4.973 1.00 0.00 C ATOM 392 O LEU A 45 8.088 10.067 5.833 1.00 0.00 O ATOM 393 CB LEU A 45 8.395 9.873 2.544 1.00 0.00 C ATOM 394 CG LEU A 45 7.052 9.416 1.971 1.00 0.00 C ATOM 395 CD1 LEU A 45 6.592 10.344 0.845 1.00 0.00 C ATOM 396 CD2 LEU A 45 7.116 7.956 1.520 1.00 0.00 C ATOM 0 H LEU A 45 9.182 7.517 2.458 1.00 0.00 H new ATOM 0 HA LEU A 45 9.815 9.609 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.319 10.931 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.150 9.785 1.763 1.00 0.00 H new ATOM 0 HG LEU A 45 6.305 9.476 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.635 9.997 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.480 11.357 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.332 10.340 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.148 7.657 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.880 7.846 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.366 7.323 2.371 1.00 0.00 H new ATOM 408 N ARG A 46 6.977 8.287 4.989 1.00 0.00 N ATOM 409 CA ARG A 46 6.001 8.246 6.064 1.00 0.00 C ATOM 410 C ARG A 46 6.422 7.228 7.125 1.00 0.00 C ATOM 411 O ARG A 46 6.047 7.350 8.291 1.00 0.00 O ATOM 412 CB ARG A 46 4.614 7.876 5.534 1.00 0.00 C ATOM 413 CG ARG A 46 4.233 8.749 4.337 1.00 0.00 C ATOM 414 CD ARG A 46 2.714 8.859 4.199 1.00 0.00 C ATOM 415 NE ARG A 46 2.302 10.280 4.248 1.00 0.00 N ATOM 416 CZ ARG A 46 2.603 11.188 3.296 1.00 0.00 C ATOM 417 NH1 ARG A 46 3.322 10.831 2.210 1.00 0.00 N ATOM 418 NH2 ARG A 46 2.184 12.432 3.442 1.00 0.00 N ATOM 0 H ARG A 46 6.854 7.570 4.274 1.00 0.00 H new ATOM 0 HA ARG A 46 5.955 9.240 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.601 6.826 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.875 7.996 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.664 9.743 4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.655 8.326 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.393 8.411 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.227 8.303 5.000 1.00 0.00 H new ATOM 0 HE ARG A 46 1.757 10.592 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.642 9.868 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.545 11.524 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.642 12.694 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.403 13.131 2.732 1.00 0.00 H new ATOM 431 N ARG A 47 7.195 6.247 6.684 1.00 0.00 N ATOM 432 CA ARG A 47 7.671 5.208 7.582 1.00 0.00 C ATOM 433 C ARG A 47 8.611 5.804 8.632 1.00 0.00 C ATOM 434 O ARG A 47 8.293 5.813 9.820 1.00 0.00 O ATOM 435 CB ARG A 47 8.408 4.110 6.812 1.00 0.00 C ATOM 436 CG ARG A 47 8.381 2.788 7.582 1.00 0.00 C ATOM 437 CD ARG A 47 7.153 1.958 7.203 1.00 0.00 C ATOM 438 NE ARG A 47 5.930 2.785 7.311 1.00 0.00 N ATOM 439 CZ ARG A 47 5.257 2.995 8.462 1.00 0.00 C ATOM 440 NH1 ARG A 47 5.684 2.439 9.616 1.00 0.00 N ATOM 441 NH2 ARG A 47 4.176 3.752 8.443 1.00 0.00 N ATOM 0 H ARG A 47 7.504 6.149 5.717 1.00 0.00 H new ATOM 0 HA ARG A 47 6.802 4.771 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.947 3.975 5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.441 4.413 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.287 2.221 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.373 2.987 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.258 1.581 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.074 1.090 7.858 1.00 0.00 H new ATOM 0 HE ARG A 47 5.573 3.224 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.521 1.856 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.170 2.602 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.860 4.169 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.656 3.920 9.304 1.00 0.00 H new ATOM 454 N LEU A 48 9.749 6.286 8.156 1.00 0.00 N ATOM 455 CA LEU A 48 10.737 6.882 9.038 1.00 0.00 C ATOM 456 C LEU A 48 10.079 7.994 9.857 1.00 0.00 C ATOM 457 O LEU A 48 10.350 8.137 11.048 1.00 0.00 O ATOM 458 CB LEU A 48 11.958 7.345 8.241 1.00 0.00 C ATOM 459 CG LEU A 48 13.318 6.873 8.761 1.00 0.00 C ATOM 460 CD1 LEU A 48 13.915 5.805 7.843 1.00 0.00 C ATOM 461 CD2 LEU A 48 14.269 8.055 8.960 1.00 0.00 C ATOM 0 H LEU A 48 10.009 6.276 7.170 1.00 0.00 H new ATOM 0 HA LEU A 48 11.110 6.142 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.846 7.003 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.959 8.435 8.216 1.00 0.00 H new ATOM 0 HG LEU A 48 13.169 6.412 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.881 5.487 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.243 4.948 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.047 6.218 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.228 7.692 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.417 8.567 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.840 8.749 9.683 1.00 0.00 H new ATOM 473 N MET A 49 9.225 8.753 9.185 1.00 0.00 N ATOM 474 CA MET A 49 8.526 9.848 9.836 1.00 0.00 C ATOM 475 C MET A 49 8.063 9.447 11.238 1.00 0.00 C ATOM 476 O MET A 49 8.153 10.239 12.175 1.00 0.00 O ATOM 477 CB MET A 49 7.314 10.251 8.994 1.00 0.00 C ATOM 478 CG MET A 49 6.901 11.696 9.284 1.00 0.00 C ATOM 479 SD MET A 49 5.632 11.728 10.539 1.00 0.00 S ATOM 480 CE MET A 49 4.321 10.877 9.676 1.00 0.00 C ATOM 0 H MET A 49 9.002 8.631 8.197 1.00 0.00 H new ATOM 0 HA MET A 49 9.213 10.690 9.928 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.550 10.142 7.935 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.481 9.581 9.206 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.766 12.271 9.615 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.535 12.168 8.372 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.363 11.327 9.935 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.481 10.957 8.601 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.318 9.826 9.965 1.00 0.00 H new ATOM 490 N GLU A 50 7.578 8.218 11.337 1.00 0.00 N ATOM 491 CA GLU A 50 7.101 7.703 12.609 1.00 0.00 C ATOM 492 C GLU A 50 8.159 6.799 13.246 1.00 0.00 C ATOM 493 O GLU A 50 8.478 6.946 14.425 1.00 0.00 O ATOM 494 CB GLU A 50 5.775 6.958 12.437 1.00 0.00 C ATOM 495 CG GLU A 50 4.749 7.417 13.475 1.00 0.00 C ATOM 496 CD GLU A 50 3.322 7.161 12.986 1.00 0.00 C ATOM 497 OE1 GLU A 50 2.632 6.282 13.521 1.00 0.00 O ATOM 498 OE2 GLU A 50 2.936 7.916 12.013 1.00 0.00 O ATOM 0 H GLU A 50 7.505 7.564 10.557 1.00 0.00 H new ATOM 0 HA GLU A 50 6.922 8.546 13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.385 7.130 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.941 5.885 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.916 6.889 14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.882 8.480 13.678 1.00 0.00 H new ATOM 506 N ALA A 51 8.673 5.884 12.438 1.00 0.00 N ATOM 507 CA ALA A 51 9.688 4.956 12.908 1.00 0.00 C ATOM 508 C ALA A 51 10.793 5.736 13.623 1.00 0.00 C ATOM 509 O ALA A 51 10.971 5.601 14.833 1.00 0.00 O ATOM 510 CB ALA A 51 10.220 4.140 11.728 1.00 0.00 C ATOM 0 H ALA A 51 8.406 5.765 11.461 1.00 0.00 H new ATOM 0 HA ALA A 51 9.263 4.253 13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.981 3.444 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.401 3.582 11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.657 4.811 10.989 1.00 0.00 H new ATOM 516 N PHE A 52 11.508 6.535 12.845 1.00 0.00 N ATOM 517 CA PHE A 52 12.591 7.336 13.388 1.00 0.00 C ATOM 518 C PHE A 52 12.098 8.219 14.537 1.00 0.00 C ATOM 519 O PHE A 52 12.892 8.679 15.356 1.00 0.00 O ATOM 520 CB PHE A 52 13.098 8.231 12.255 1.00 0.00 C ATOM 521 CG PHE A 52 13.180 9.714 12.623 1.00 0.00 C ATOM 522 CD1 PHE A 52 14.294 10.204 13.229 1.00 0.00 C ATOM 523 CD2 PHE A 52 12.138 10.542 12.343 1.00 0.00 C ATOM 524 CE1 PHE A 52 14.370 11.581 13.570 1.00 0.00 C ATOM 525 CE2 PHE A 52 12.214 11.919 12.684 1.00 0.00 C ATOM 526 CZ PHE A 52 13.328 12.409 13.290 1.00 0.00 C ATOM 0 H PHE A 52 11.358 6.645 11.842 1.00 0.00 H new ATOM 0 HA PHE A 52 13.376 6.686 13.775 1.00 0.00 H new ATOM 0 HB2 PHE A 52 14.086 7.888 11.949 1.00 0.00 H new ATOM 0 HB3 PHE A 52 12.440 8.117 11.393 1.00 0.00 H new ATOM 0 HD1 PHE A 52 15.121 9.546 13.451 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.253 10.153 11.862 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.255 11.970 14.051 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.387 12.577 12.462 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.386 13.456 13.549 1.00 0.00 H new ATOM 536 N ALA A 53 10.790 8.427 14.560 1.00 0.00 N ATOM 537 CA ALA A 53 10.181 9.246 15.595 1.00 0.00 C ATOM 538 C ALA A 53 9.725 8.348 16.747 1.00 0.00 C ATOM 539 O ALA A 53 9.310 8.840 17.796 1.00 0.00 O ATOM 540 CB ALA A 53 9.028 10.053 14.995 1.00 0.00 C ATOM 0 H ALA A 53 10.135 8.043 13.879 1.00 0.00 H new ATOM 0 HA ALA A 53 10.903 9.957 15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.571 10.667 15.771 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.408 10.695 14.201 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.282 9.372 14.585 1.00 0.00 H new ATOM 546 N LYS A 54 9.819 7.047 16.514 1.00 0.00 N ATOM 547 CA LYS A 54 9.421 6.076 17.520 1.00 0.00 C ATOM 548 C LYS A 54 10.643 5.681 18.352 1.00 0.00 C ATOM 549 O LYS A 54 10.515 5.337 19.526 1.00 0.00 O ATOM 550 CB LYS A 54 8.712 4.889 16.867 1.00 0.00 C ATOM 551 CG LYS A 54 7.535 4.415 17.724 1.00 0.00 C ATOM 552 CD LYS A 54 6.363 5.394 17.634 1.00 0.00 C ATOM 553 CE LYS A 54 5.029 4.670 17.828 1.00 0.00 C ATOM 554 NZ LYS A 54 4.483 4.942 19.177 1.00 0.00 N ATOM 0 H LYS A 54 10.165 6.643 15.644 1.00 0.00 H new ATOM 0 HA LYS A 54 8.695 6.513 18.206 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.355 5.174 15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.418 4.070 16.728 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.214 3.427 17.394 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.853 4.317 18.762 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.473 6.170 18.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.373 5.891 16.664 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.318 4.996 17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.168 3.597 17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.578 4.443 19.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.156 4.609 19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.332 5.965 19.291 1.00 0.00 H new ATOM 567 N ARG A 55 11.801 5.744 17.711 1.00 0.00 N ATOM 568 CA ARG A 55 13.045 5.397 18.377 1.00 0.00 C ATOM 569 C ARG A 55 13.788 6.664 18.807 1.00 0.00 C ATOM 570 O ARG A 55 14.090 6.840 19.986 1.00 0.00 O ATOM 571 CB ARG A 55 13.949 4.571 17.460 1.00 0.00 C ATOM 572 CG ARG A 55 15.341 4.400 18.072 1.00 0.00 C ATOM 573 CD ARG A 55 15.249 3.871 19.504 1.00 0.00 C ATOM 574 NE ARG A 55 15.673 4.920 20.459 1.00 0.00 N ATOM 575 CZ ARG A 55 16.951 5.325 20.620 1.00 0.00 C ATOM 576 NH1 ARG A 55 17.942 4.772 19.889 1.00 0.00 N ATOM 577 NH2 ARG A 55 17.216 6.271 21.502 1.00 0.00 N ATOM 0 H ARG A 55 11.904 6.030 16.737 1.00 0.00 H new ATOM 0 HA ARG A 55 12.796 4.801 19.255 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.501 3.592 17.287 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.032 5.060 16.489 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.928 3.712 17.463 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.864 5.356 18.067 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.227 3.561 19.721 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.880 2.989 19.616 1.00 0.00 H new ATOM 0 HE ARG A 55 14.955 5.364 21.031 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.728 4.043 19.209 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.905 5.084 20.017 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.461 6.684 22.049 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.176 6.589 21.636 1.00 0.00 H new ATOM 590 N GLN A 56 14.061 7.513 17.827 1.00 0.00 N ATOM 591 CA GLN A 56 14.763 8.758 18.090 1.00 0.00 C ATOM 592 C GLN A 56 13.784 9.825 18.583 1.00 0.00 C ATOM 593 O GLN A 56 14.079 10.552 19.531 1.00 0.00 O ATOM 594 CB GLN A 56 15.514 9.237 16.846 1.00 0.00 C ATOM 595 CG GLN A 56 16.628 10.216 17.221 1.00 0.00 C ATOM 596 CD GLN A 56 16.081 11.375 18.056 1.00 0.00 C ATOM 597 OE1 GLN A 56 16.489 11.610 19.181 1.00 0.00 O ATOM 598 NE2 GLN A 56 15.138 12.085 17.443 1.00 0.00 N ATOM 0 H GLN A 56 13.809 7.363 16.850 1.00 0.00 H new ATOM 0 HA GLN A 56 15.500 8.579 18.873 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.939 8.381 16.321 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.818 9.719 16.159 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.403 9.693 17.782 1.00 0.00 H new ATOM 0 HG3 GLN A 56 17.096 10.604 16.316 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.843 11.834 16.500 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.710 12.881 17.916 1.00 0.00 H new ATOM 607 N GLY A 57 12.639 9.886 17.919 1.00 0.00 N ATOM 608 CA GLY A 57 11.615 10.852 18.279 1.00 0.00 C ATOM 609 C GLY A 57 11.449 10.935 19.797 1.00 0.00 C ATOM 610 O GLY A 57 11.020 11.961 20.323 1.00 0.00 O ATOM 0 H GLY A 57 12.398 9.282 17.133 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.881 11.833 17.885 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.667 10.570 17.821 1.00 0.00 H new ATOM 614 N LYS A 58 11.797 9.841 20.459 1.00 0.00 N ATOM 615 CA LYS A 58 11.691 9.778 21.907 1.00 0.00 C ATOM 616 C LYS A 58 12.451 10.955 22.522 1.00 0.00 C ATOM 617 O LYS A 58 11.974 11.579 23.469 1.00 0.00 O ATOM 618 CB LYS A 58 12.156 8.412 22.419 1.00 0.00 C ATOM 619 CG LYS A 58 11.075 7.753 23.278 1.00 0.00 C ATOM 620 CD LYS A 58 11.535 6.382 23.779 1.00 0.00 C ATOM 621 CE LYS A 58 11.650 6.366 25.305 1.00 0.00 C ATOM 622 NZ LYS A 58 11.371 5.012 25.832 1.00 0.00 N ATOM 0 H LYS A 58 12.152 8.992 20.020 1.00 0.00 H new ATOM 0 HA LYS A 58 10.650 9.873 22.217 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.399 7.766 21.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.069 8.530 23.003 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.839 8.394 24.127 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.159 7.644 22.697 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.829 5.617 23.456 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.499 6.133 23.335 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.650 6.680 25.603 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.950 7.082 25.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.453 5.019 26.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.408 4.727 25.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.056 4.337 25.435 1.00 0.00 H new ATOM 635 N GLU A 59 13.619 11.224 21.958 1.00 0.00 N ATOM 636 CA GLU A 59 14.449 12.316 22.438 1.00 0.00 C ATOM 637 C GLU A 59 14.111 13.608 21.692 1.00 0.00 C ATOM 638 O GLU A 59 14.535 14.690 22.094 1.00 0.00 O ATOM 639 CB GLU A 59 15.934 11.976 22.303 1.00 0.00 C ATOM 640 CG GLU A 59 16.532 11.581 23.654 1.00 0.00 C ATOM 641 CD GLU A 59 17.614 10.512 23.484 1.00 0.00 C ATOM 642 OE1 GLU A 59 17.634 9.808 22.464 1.00 0.00 O ATOM 643 OE2 GLU A 59 18.453 10.426 24.460 1.00 0.00 O ATOM 0 H GLU A 59 14.011 10.704 21.173 1.00 0.00 H new ATOM 0 HA GLU A 59 14.240 12.467 23.497 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.060 11.159 21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.472 12.834 21.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.957 12.460 24.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.745 11.206 24.308 1.00 0.00 H new ATOM 651 N MET A 60 13.351 13.451 20.617 1.00 0.00 N ATOM 652 CA MET A 60 12.952 14.592 19.811 1.00 0.00 C ATOM 653 C MET A 60 14.073 15.631 19.737 1.00 0.00 C ATOM 654 O MET A 60 13.808 16.829 19.647 1.00 0.00 O ATOM 655 CB MET A 60 11.701 15.232 20.416 1.00 0.00 C ATOM 656 CG MET A 60 12.020 15.901 21.754 1.00 0.00 C ATOM 657 SD MET A 60 10.546 16.649 22.429 1.00 0.00 S ATOM 658 CE MET A 60 9.628 15.182 22.869 1.00 0.00 C ATOM 0 H MET A 60 13.002 12.552 20.286 1.00 0.00 H new ATOM 0 HA MET A 60 12.740 14.243 18.801 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.295 15.970 19.724 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.933 14.472 20.559 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.417 15.165 22.453 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.792 16.658 21.617 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.902 15.426 23.645 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.106 14.802 21.991 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.314 14.421 23.240 1.00 0.00 H new ATOM 668 N ASP A 61 15.300 15.134 19.780 1.00 0.00 N ATOM 669 CA ASP A 61 16.462 16.004 19.719 1.00 0.00 C ATOM 670 C ASP A 61 17.005 16.025 18.289 1.00 0.00 C ATOM 671 O ASP A 61 17.832 16.868 17.947 1.00 0.00 O ATOM 672 CB ASP A 61 17.575 15.502 20.640 1.00 0.00 C ATOM 673 CG ASP A 61 17.494 16.000 22.084 1.00 0.00 C ATOM 674 OD1 ASP A 61 17.043 17.124 22.348 1.00 0.00 O ATOM 675 OD2 ASP A 61 17.925 15.169 22.972 1.00 0.00 O ATOM 0 H ASP A 61 15.515 14.140 19.856 1.00 0.00 H new ATOM 0 HA ASP A 61 16.153 17.000 20.036 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.557 14.412 20.646 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.535 15.803 20.221 1.00 0.00 H new ATOM 681 N SER A 62 16.517 15.086 17.491 1.00 0.00 N ATOM 682 CA SER A 62 16.942 14.985 16.106 1.00 0.00 C ATOM 683 C SER A 62 15.735 15.126 15.176 1.00 0.00 C ATOM 684 O SER A 62 14.751 14.402 15.318 1.00 0.00 O ATOM 685 CB SER A 62 17.662 13.660 15.845 1.00 0.00 C ATOM 686 OG SER A 62 17.982 12.980 17.056 1.00 0.00 O ATOM 0 H SER A 62 15.831 14.388 17.778 1.00 0.00 H new ATOM 0 HA SER A 62 17.644 15.794 15.904 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.033 13.021 15.226 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.576 13.849 15.282 1.00 0.00 H new ATOM 0 HG SER A 62 18.562 12.215 16.858 1.00 0.00 H new ATOM 692 N LEU A 63 15.851 16.062 14.245 1.00 0.00 N ATOM 693 CA LEU A 63 14.782 16.306 13.293 1.00 0.00 C ATOM 694 C LEU A 63 15.387 16.663 11.933 1.00 0.00 C ATOM 695 O LEU A 63 14.869 17.526 11.226 1.00 0.00 O ATOM 696 CB LEU A 63 13.815 17.363 13.832 1.00 0.00 C ATOM 697 CG LEU A 63 14.311 18.177 15.028 1.00 0.00 C ATOM 698 CD1 LEU A 63 13.664 19.563 15.053 1.00 0.00 C ATOM 699 CD2 LEU A 63 14.090 17.418 16.338 1.00 0.00 C ATOM 0 H LEU A 63 16.669 16.660 14.130 1.00 0.00 H new ATOM 0 HA LEU A 63 14.186 15.405 13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.574 18.053 13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.887 16.867 14.115 1.00 0.00 H new ATOM 0 HG LEU A 63 15.385 18.324 14.919 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.033 20.122 15.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.915 20.098 14.137 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.582 19.458 15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.451 18.019 17.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.026 17.219 16.468 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.635 16.474 16.308 1.00 0.00 H new ATOM 711 N ARG A 64 16.475 15.981 11.609 1.00 0.00 N ATOM 712 CA ARG A 64 17.157 16.215 10.347 1.00 0.00 C ATOM 713 C ARG A 64 16.996 15.005 9.425 1.00 0.00 C ATOM 714 O ARG A 64 17.696 14.004 9.579 1.00 0.00 O ATOM 715 CB ARG A 64 18.646 16.485 10.567 1.00 0.00 C ATOM 716 CG ARG A 64 19.267 17.165 9.345 1.00 0.00 C ATOM 717 CD ARG A 64 20.679 17.666 9.654 1.00 0.00 C ATOM 718 NE ARG A 64 20.971 18.880 8.858 1.00 0.00 N ATOM 719 CZ ARG A 64 22.202 19.415 8.720 1.00 0.00 C ATOM 720 NH1 ARG A 64 23.268 18.848 9.323 1.00 0.00 N ATOM 721 NH2 ARG A 64 22.349 20.502 7.985 1.00 0.00 N ATOM 0 H ARG A 64 16.902 15.266 12.198 1.00 0.00 H new ATOM 0 HA ARG A 64 16.705 17.092 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.779 17.116 11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.163 15.547 10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.301 16.463 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.641 18.001 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.771 17.888 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 64 21.408 16.888 9.427 1.00 0.00 H new ATOM 0 HE ARG A 64 20.193 19.340 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.147 18.008 9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.195 19.260 9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.539 20.925 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 64 23.273 20.919 7.870 1.00 0.00 H new ATOM 734 N PHE A 65 16.071 15.135 8.485 1.00 0.00 N ATOM 735 CA PHE A 65 15.810 14.065 7.538 1.00 0.00 C ATOM 736 C PHE A 65 16.770 14.138 6.349 1.00 0.00 C ATOM 737 O PHE A 65 16.585 14.952 5.446 1.00 0.00 O ATOM 738 CB PHE A 65 14.378 14.253 7.034 1.00 0.00 C ATOM 739 CG PHE A 65 14.106 15.633 6.432 1.00 0.00 C ATOM 740 CD1 PHE A 65 13.707 16.658 7.232 1.00 0.00 C ATOM 741 CD2 PHE A 65 14.265 15.836 5.096 1.00 0.00 C ATOM 742 CE1 PHE A 65 13.455 17.938 6.674 1.00 0.00 C ATOM 743 CE2 PHE A 65 14.013 17.117 4.538 1.00 0.00 C ATOM 744 CZ PHE A 65 13.613 18.141 5.338 1.00 0.00 C ATOM 0 H PHE A 65 15.493 15.966 8.359 1.00 0.00 H new ATOM 0 HA PHE A 65 15.947 13.098 8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.165 13.492 6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.688 14.086 7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.582 16.498 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.583 15.023 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.138 18.751 7.310 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.139 17.278 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.421 19.115 4.913 1.00 0.00 H new ATOM 754 N LEU A 66 17.776 13.277 6.388 1.00 0.00 N ATOM 755 CA LEU A 66 18.766 13.234 5.325 1.00 0.00 C ATOM 756 C LEU A 66 19.052 11.776 4.959 1.00 0.00 C ATOM 757 O LEU A 66 18.920 10.885 5.797 1.00 0.00 O ATOM 758 CB LEU A 66 20.014 14.024 5.722 1.00 0.00 C ATOM 759 CG LEU A 66 21.256 13.796 4.859 1.00 0.00 C ATOM 760 CD1 LEU A 66 22.220 14.980 4.961 1.00 0.00 C ATOM 761 CD2 LEU A 66 21.935 12.472 5.214 1.00 0.00 C ATOM 0 H LEU A 66 17.927 12.604 7.139 1.00 0.00 H new ATOM 0 HA LEU A 66 18.382 13.719 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 66 19.770 15.086 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.263 13.777 6.754 1.00 0.00 H new ATOM 0 HG LEU A 66 20.940 13.727 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 66 23.094 14.792 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 66 21.720 15.887 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 66 22.533 15.106 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 66 22.815 12.335 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 66 22.236 12.487 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.239 11.650 5.048 1.00 0.00 H new ATOM 773 N TYR A 67 19.438 11.578 3.707 1.00 0.00 N ATOM 774 CA TYR A 67 19.745 10.244 3.220 1.00 0.00 C ATOM 775 C TYR A 67 21.213 10.135 2.804 1.00 0.00 C ATOM 776 O TYR A 67 21.858 9.117 3.049 1.00 0.00 O ATOM 777 CB TYR A 67 18.861 10.031 1.990 1.00 0.00 C ATOM 778 CG TYR A 67 19.145 8.729 1.237 1.00 0.00 C ATOM 779 CD1 TYR A 67 19.562 7.610 1.928 1.00 0.00 C ATOM 780 CD2 TYR A 67 18.984 8.675 -0.132 1.00 0.00 C ATOM 781 CE1 TYR A 67 19.830 6.385 1.220 1.00 0.00 C ATOM 782 CE2 TYR A 67 19.251 7.450 -0.840 1.00 0.00 C ATOM 783 CZ TYR A 67 19.661 6.365 -0.129 1.00 0.00 C ATOM 784 OH TYR A 67 19.913 5.208 -0.798 1.00 0.00 O ATOM 0 H TYR A 67 19.545 12.320 3.015 1.00 0.00 H new ATOM 0 HA TYR A 67 19.566 9.501 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.816 10.039 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 67 18.997 10.870 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 67 19.687 7.653 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.658 9.551 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 67 20.158 5.502 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.129 7.394 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 67 19.749 5.341 -1.755 1.00 0.00 H new ATOM 794 N ASP A 68 21.698 11.199 2.182 1.00 0.00 N ATOM 795 CA ASP A 68 23.078 11.237 1.729 1.00 0.00 C ATOM 796 C ASP A 68 23.779 12.451 2.341 1.00 0.00 C ATOM 797 O ASP A 68 24.632 12.305 3.215 1.00 0.00 O ATOM 798 CB ASP A 68 23.155 11.365 0.206 1.00 0.00 C ATOM 799 CG ASP A 68 23.683 10.126 -0.521 1.00 0.00 C ATOM 800 OD1 ASP A 68 24.869 10.052 -0.878 1.00 0.00 O ATOM 801 OD2 ASP A 68 22.810 9.198 -0.721 1.00 0.00 O ATOM 0 H ASP A 68 21.160 12.042 1.981 1.00 0.00 H new ATOM 0 HA ASP A 68 23.559 10.309 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 22.160 11.595 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 68 23.794 12.213 -0.041 1.00 0.00 H new ATOM 807 N GLY A 69 23.392 13.623 1.859 1.00 0.00 N ATOM 808 CA GLY A 69 23.972 14.862 2.348 1.00 0.00 C ATOM 809 C GLY A 69 23.234 16.075 1.778 1.00 0.00 C ATOM 810 O GLY A 69 23.861 17.038 1.340 1.00 0.00 O ATOM 0 H GLY A 69 22.684 13.741 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 69 23.928 14.884 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 69 25.025 14.909 2.071 1.00 0.00 H new ATOM 814 N ILE A 70 21.912 15.989 1.804 1.00 0.00 N ATOM 815 CA ILE A 70 21.082 17.068 1.296 1.00 0.00 C ATOM 816 C ILE A 70 19.642 16.865 1.770 1.00 0.00 C ATOM 817 O ILE A 70 18.700 17.028 0.996 1.00 0.00 O ATOM 818 CB ILE A 70 21.219 17.179 -0.224 1.00 0.00 C ATOM 819 CG1 ILE A 70 21.598 15.831 -0.840 1.00 0.00 C ATOM 820 CG2 ILE A 70 22.207 18.282 -0.607 1.00 0.00 C ATOM 821 CD1 ILE A 70 20.681 15.488 -2.016 1.00 0.00 C ATOM 0 H ILE A 70 21.395 15.189 2.169 1.00 0.00 H new ATOM 0 HA ILE A 70 21.417 18.026 1.694 1.00 0.00 H new ATOM 0 HB ILE A 70 20.249 17.460 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 70 22.634 15.860 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.532 15.050 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 70 22.285 18.339 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.855 19.237 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 70 23.186 18.057 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.972 14.525 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 70 19.649 15.436 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.768 16.259 -2.782 1.00 0.00 H new ATOM 833 N ARG A 71 19.516 16.511 3.041 1.00 0.00 N ATOM 834 CA ARG A 71 18.206 16.283 3.628 1.00 0.00 C ATOM 835 C ARG A 71 17.303 15.543 2.640 1.00 0.00 C ATOM 836 O ARG A 71 16.176 15.966 2.386 1.00 0.00 O ATOM 837 CB ARG A 71 17.543 17.604 4.024 1.00 0.00 C ATOM 838 CG ARG A 71 18.291 18.268 5.182 1.00 0.00 C ATOM 839 CD ARG A 71 18.697 19.699 4.824 1.00 0.00 C ATOM 840 NE ARG A 71 19.991 19.692 4.104 1.00 0.00 N ATOM 841 CZ ARG A 71 20.640 20.807 3.705 1.00 0.00 C ATOM 842 NH1 ARG A 71 20.121 22.028 3.952 1.00 0.00 N ATOM 843 NH2 ARG A 71 21.790 20.684 3.069 1.00 0.00 N ATOM 0 H ARG A 71 20.299 16.377 3.680 1.00 0.00 H new ATOM 0 HA ARG A 71 18.344 15.676 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.523 18.276 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.507 17.423 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.659 18.277 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.179 17.685 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.928 20.160 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.778 20.300 5.729 1.00 0.00 H new ATOM 0 HE ARG A 71 20.418 18.789 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.232 22.114 4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.618 22.865 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.175 19.757 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.294 21.516 2.760 1.00 0.00 H new ATOM 856 N ILE A 72 17.831 14.450 2.109 1.00 0.00 N ATOM 857 CA ILE A 72 17.087 13.646 1.155 1.00 0.00 C ATOM 858 C ILE A 72 16.667 12.333 1.818 1.00 0.00 C ATOM 859 O ILE A 72 17.113 12.020 2.921 1.00 0.00 O ATOM 860 CB ILE A 72 17.895 13.456 -0.131 1.00 0.00 C ATOM 861 CG1 ILE A 72 19.397 13.492 0.156 1.00 0.00 C ATOM 862 CG2 ILE A 72 17.488 14.481 -1.191 1.00 0.00 C ATOM 863 CD1 ILE A 72 20.194 12.930 -1.023 1.00 0.00 C ATOM 0 H ILE A 72 18.766 14.102 2.322 1.00 0.00 H new ATOM 0 HA ILE A 72 16.173 14.158 0.856 1.00 0.00 H new ATOM 0 HB ILE A 72 17.668 12.469 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 72 19.709 14.518 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 72 19.613 12.914 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 72 18.077 14.324 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 72 16.430 14.364 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 72 17.667 15.487 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 72 21.259 12.967 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 72 19.897 11.897 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 72 19.994 13.525 -1.914 1.00 0.00 H new ATOM 875 N GLN A 73 15.815 11.599 1.117 1.00 0.00 N ATOM 876 CA GLN A 73 15.330 10.327 1.624 1.00 0.00 C ATOM 877 C GLN A 73 15.616 9.211 0.617 1.00 0.00 C ATOM 878 O GLN A 73 16.109 9.470 -0.479 1.00 0.00 O ATOM 879 CB GLN A 73 13.838 10.400 1.953 1.00 0.00 C ATOM 880 CG GLN A 73 13.608 11.056 3.316 1.00 0.00 C ATOM 881 CD GLN A 73 12.975 12.440 3.158 1.00 0.00 C ATOM 882 OE1 GLN A 73 13.440 13.282 2.407 1.00 0.00 O ATOM 883 NE2 GLN A 73 11.892 12.628 3.907 1.00 0.00 N ATOM 0 H GLN A 73 15.448 11.861 0.202 1.00 0.00 H new ATOM 0 HA GLN A 73 15.861 10.101 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.319 10.967 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.412 9.397 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.961 10.423 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.556 11.144 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.556 11.881 4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.398 13.520 3.874 1.00 0.00 H new ATOM 892 N ALA A 74 15.293 7.992 1.025 1.00 0.00 N ATOM 893 CA ALA A 74 15.508 6.836 0.172 1.00 0.00 C ATOM 894 C ALA A 74 14.355 6.722 -0.827 1.00 0.00 C ATOM 895 O ALA A 74 14.340 7.415 -1.844 1.00 0.00 O ATOM 896 CB ALA A 74 15.655 5.583 1.038 1.00 0.00 C ATOM 0 H ALA A 74 14.884 7.780 1.935 1.00 0.00 H new ATOM 0 HA ALA A 74 16.429 6.948 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.816 4.715 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.506 5.702 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.748 5.438 1.625 1.00 0.00 H new ATOM 902 N ASP A 75 13.418 5.844 -0.503 1.00 0.00 N ATOM 903 CA ASP A 75 12.264 5.631 -1.360 1.00 0.00 C ATOM 904 C ASP A 75 11.150 6.599 -0.957 1.00 0.00 C ATOM 905 O ASP A 75 9.983 6.215 -0.886 1.00 0.00 O ATOM 906 CB ASP A 75 11.726 4.206 -1.216 1.00 0.00 C ATOM 907 CG ASP A 75 12.712 3.200 -0.617 1.00 0.00 C ATOM 908 OD1 ASP A 75 12.954 2.127 -1.188 1.00 0.00 O ATOM 909 OD2 ASP A 75 13.250 3.562 0.498 1.00 0.00 O ATOM 0 H ASP A 75 13.434 5.272 0.341 1.00 0.00 H new ATOM 0 HA ASP A 75 12.575 5.797 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.833 4.232 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.418 3.849 -2.199 1.00 0.00 H new ATOM 915 N GLN A 76 11.548 7.837 -0.704 1.00 0.00 N ATOM 916 CA GLN A 76 10.598 8.864 -0.310 1.00 0.00 C ATOM 917 C GLN A 76 9.658 9.191 -1.472 1.00 0.00 C ATOM 918 O GLN A 76 8.699 9.944 -1.307 1.00 0.00 O ATOM 919 CB GLN A 76 11.320 10.120 0.181 1.00 0.00 C ATOM 920 CG GLN A 76 10.428 11.355 0.039 1.00 0.00 C ATOM 921 CD GLN A 76 10.436 11.874 -1.400 1.00 0.00 C ATOM 922 OE1 GLN A 76 11.353 11.636 -2.169 1.00 0.00 O ATOM 923 NE2 GLN A 76 9.365 12.595 -1.721 1.00 0.00 N ATOM 0 H GLN A 76 12.516 8.152 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 76 10.001 8.481 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.609 9.993 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.238 10.262 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.408 11.108 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.774 12.138 0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.633 12.757 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.276 12.986 -2.659 1.00 0.00 H new ATOM 932 N THR A 77 9.965 8.608 -2.622 1.00 0.00 N ATOM 933 CA THR A 77 9.160 8.828 -3.811 1.00 0.00 C ATOM 934 C THR A 77 8.162 7.683 -3.999 1.00 0.00 C ATOM 935 O THR A 77 8.475 6.529 -3.710 1.00 0.00 O ATOM 936 CB THR A 77 10.108 9.009 -4.998 1.00 0.00 C ATOM 937 OG1 THR A 77 11.179 9.787 -4.471 1.00 0.00 O ATOM 938 CG2 THR A 77 9.511 9.891 -6.095 1.00 0.00 C ATOM 0 H THR A 77 10.760 7.983 -2.755 1.00 0.00 H new ATOM 0 HA THR A 77 8.557 9.731 -3.718 1.00 0.00 H new ATOM 0 HB THR A 77 10.359 8.033 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.835 10.394 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.225 9.987 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.592 9.438 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.291 10.878 -5.689 1.00 0.00 H new ATOM 946 N PRO A 78 6.951 8.052 -4.495 1.00 0.00 N ATOM 947 CA PRO A 78 5.906 7.069 -4.725 1.00 0.00 C ATOM 948 C PRO A 78 6.202 6.235 -5.973 1.00 0.00 C ATOM 949 O PRO A 78 5.614 5.173 -6.169 1.00 0.00 O ATOM 950 CB PRO A 78 4.624 7.877 -4.841 1.00 0.00 C ATOM 951 CG PRO A 78 5.057 9.304 -5.136 1.00 0.00 C ATOM 952 CD PRO A 78 6.545 9.409 -4.849 1.00 0.00 C ATOM 0 HA PRO A 78 5.830 6.340 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.988 7.489 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.046 7.827 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.850 9.558 -6.176 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.499 10.008 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.092 9.771 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.743 10.107 -4.035 1.00 0.00 H new ATOM 960 N GLU A 79 7.114 6.749 -6.786 1.00 0.00 N ATOM 961 CA GLU A 79 7.496 6.065 -8.010 1.00 0.00 C ATOM 962 C GLU A 79 8.644 5.091 -7.738 1.00 0.00 C ATOM 963 O GLU A 79 8.974 4.264 -8.586 1.00 0.00 O ATOM 964 CB GLU A 79 7.873 7.067 -9.103 1.00 0.00 C ATOM 965 CG GLU A 79 6.626 7.720 -9.703 1.00 0.00 C ATOM 966 CD GLU A 79 6.589 7.539 -11.221 1.00 0.00 C ATOM 967 OE1 GLU A 79 6.147 6.489 -11.710 1.00 0.00 O ATOM 968 OE2 GLU A 79 7.041 8.539 -11.901 1.00 0.00 O ATOM 0 H GLU A 79 7.599 7.631 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 79 6.639 5.494 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.526 7.835 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.436 6.560 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.732 7.282 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.615 8.782 -9.459 1.00 0.00 H new ATOM 976 N ASP A 80 9.221 5.223 -6.553 1.00 0.00 N ATOM 977 CA ASP A 80 10.326 4.365 -6.159 1.00 0.00 C ATOM 978 C ASP A 80 9.803 3.255 -5.245 1.00 0.00 C ATOM 979 O ASP A 80 9.970 2.073 -5.541 1.00 0.00 O ATOM 980 CB ASP A 80 11.387 5.152 -5.387 1.00 0.00 C ATOM 981 CG ASP A 80 12.811 4.609 -5.509 1.00 0.00 C ATOM 982 OD1 ASP A 80 13.048 3.576 -6.153 1.00 0.00 O ATOM 983 OD2 ASP A 80 13.713 5.302 -4.901 1.00 0.00 O ATOM 0 H ASP A 80 8.944 5.911 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 80 10.771 3.952 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.377 6.185 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.110 5.169 -4.333 1.00 0.00 H new ATOM 989 N LEU A 81 9.181 3.675 -4.154 1.00 0.00 N ATOM 990 CA LEU A 81 8.632 2.731 -3.195 1.00 0.00 C ATOM 991 C LEU A 81 7.756 1.715 -3.930 1.00 0.00 C ATOM 992 O LEU A 81 7.778 0.526 -3.614 1.00 0.00 O ATOM 993 CB LEU A 81 7.905 3.471 -2.070 1.00 0.00 C ATOM 994 CG LEU A 81 6.685 4.294 -2.488 1.00 0.00 C ATOM 995 CD1 LEU A 81 5.410 3.452 -2.432 1.00 0.00 C ATOM 996 CD2 LEU A 81 6.569 5.567 -1.647 1.00 0.00 C ATOM 0 H LEU A 81 9.045 4.657 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 81 9.432 2.171 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.588 2.740 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.616 4.136 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 81 6.820 4.604 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.558 4.061 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.506 2.602 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.256 3.092 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.694 6.134 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.467 5.300 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.464 6.175 -1.782 1.00 0.00 H new ATOM 1008 N ASP A 82 7.004 2.220 -4.897 1.00 0.00 N ATOM 1009 CA ASP A 82 6.121 1.372 -5.680 1.00 0.00 C ATOM 1010 C ASP A 82 6.959 0.368 -6.475 1.00 0.00 C ATOM 1011 O ASP A 82 6.481 -0.714 -6.814 1.00 0.00 O ATOM 1012 CB ASP A 82 5.303 2.197 -6.674 1.00 0.00 C ATOM 1013 CG ASP A 82 4.146 1.448 -7.339 1.00 0.00 C ATOM 1014 OD1 ASP A 82 4.105 0.209 -7.340 1.00 0.00 O ATOM 1015 OD2 ASP A 82 3.249 2.201 -7.880 1.00 0.00 O ATOM 0 H ASP A 82 6.988 3.206 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 82 5.445 0.863 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.902 3.068 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.971 2.568 -7.452 1.00 0.00 H new ATOM 1021 N MET A 83 8.194 0.762 -6.749 1.00 0.00 N ATOM 1022 CA MET A 83 9.102 -0.089 -7.498 1.00 0.00 C ATOM 1023 C MET A 83 10.078 -0.806 -6.563 1.00 0.00 C ATOM 1024 O MET A 83 9.908 -1.989 -6.271 1.00 0.00 O ATOM 1025 CB MET A 83 9.886 0.758 -8.502 1.00 0.00 C ATOM 1026 CG MET A 83 9.637 0.281 -9.934 1.00 0.00 C ATOM 1027 SD MET A 83 10.499 1.337 -11.088 1.00 0.00 S ATOM 1028 CE MET A 83 9.760 2.910 -10.681 1.00 0.00 C ATOM 0 H MET A 83 8.587 1.660 -6.465 1.00 0.00 H new ATOM 0 HA MET A 83 8.514 -0.840 -8.025 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.594 1.804 -8.407 1.00 0.00 H new ATOM 0 HB3 MET A 83 10.951 0.703 -8.276 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.976 -0.749 -10.047 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.568 0.290 -10.148 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.711 3.531 -11.575 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.754 2.750 -10.294 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.364 3.411 -9.924 1.00 0.00 H new ATOM 1038 N GLU A 84 11.078 -0.060 -6.119 1.00 0.00 N ATOM 1039 CA GLU A 84 12.082 -0.609 -5.222 1.00 0.00 C ATOM 1040 C GLU A 84 11.422 -1.132 -3.944 1.00 0.00 C ATOM 1041 O GLU A 84 10.262 -0.829 -3.672 1.00 0.00 O ATOM 1042 CB GLU A 84 13.156 0.431 -4.899 1.00 0.00 C ATOM 1043 CG GLU A 84 14.520 -0.234 -4.702 1.00 0.00 C ATOM 1044 CD GLU A 84 15.474 0.121 -5.844 1.00 0.00 C ATOM 1045 OE1 GLU A 84 15.024 0.556 -6.915 1.00 0.00 O ATOM 1046 OE2 GLU A 84 16.724 -0.068 -5.590 1.00 0.00 O ATOM 0 H GLU A 84 11.215 0.921 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 84 12.572 -1.444 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.216 1.160 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.880 0.977 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.950 0.084 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.397 -1.316 -4.649 1.00 0.00 H new ATOM 1054 N ASP A 85 12.191 -1.908 -3.195 1.00 0.00 N ATOM 1055 CA ASP A 85 11.697 -2.475 -1.952 1.00 0.00 C ATOM 1056 C ASP A 85 12.821 -2.477 -0.914 1.00 0.00 C ATOM 1057 O ASP A 85 13.496 -3.488 -0.727 1.00 0.00 O ATOM 1058 CB ASP A 85 11.235 -3.920 -2.152 1.00 0.00 C ATOM 1059 CG ASP A 85 10.177 -4.117 -3.239 1.00 0.00 C ATOM 1060 OD1 ASP A 85 10.398 -4.838 -4.223 1.00 0.00 O ATOM 1061 OD2 ASP A 85 9.070 -3.484 -3.043 1.00 0.00 O ATOM 0 H ASP A 85 13.153 -2.158 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 85 10.855 -1.870 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.103 -4.532 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.838 -4.292 -1.208 1.00 0.00 H new ATOM 1067 N ASN A 86 12.987 -1.333 -0.267 1.00 0.00 N ATOM 1068 CA ASN A 86 14.017 -1.190 0.747 1.00 0.00 C ATOM 1069 C ASN A 86 13.915 0.199 1.380 1.00 0.00 C ATOM 1070 O ASN A 86 14.425 1.175 0.831 1.00 0.00 O ATOM 1071 CB ASN A 86 15.413 -1.330 0.138 1.00 0.00 C ATOM 1072 CG ASN A 86 16.249 -2.352 0.910 1.00 0.00 C ATOM 1073 OD1 ASN A 86 16.474 -3.468 0.471 1.00 0.00 O ATOM 1074 ND2 ASN A 86 16.696 -1.910 2.082 1.00 0.00 N ATOM 0 H ASN A 86 12.425 -0.496 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 86 13.868 -1.973 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.329 -1.637 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.916 -0.363 0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.264 -2.517 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.471 -0.964 2.390 1.00 0.00 H new ATOM 1081 N ASP A 87 13.252 0.245 2.526 1.00 0.00 N ATOM 1082 CA ASP A 87 13.075 1.498 3.240 1.00 0.00 C ATOM 1083 C ASP A 87 14.266 1.720 4.175 1.00 0.00 C ATOM 1084 O ASP A 87 14.498 0.929 5.088 1.00 0.00 O ATOM 1085 CB ASP A 87 11.804 1.474 4.091 1.00 0.00 C ATOM 1086 CG ASP A 87 10.503 1.302 3.304 1.00 0.00 C ATOM 1087 OD1 ASP A 87 10.483 1.418 2.070 1.00 0.00 O ATOM 1088 OD2 ASP A 87 9.464 1.034 4.021 1.00 0.00 O ATOM 0 H ASP A 87 12.830 -0.566 2.978 1.00 0.00 H new ATOM 0 HA ASP A 87 12.999 2.297 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.884 0.662 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.747 2.402 4.659 1.00 0.00 H new ATOM 1094 N ILE A 88 14.989 2.799 3.915 1.00 0.00 N ATOM 1095 CA ILE A 88 16.150 3.134 4.722 1.00 0.00 C ATOM 1096 C ILE A 88 16.469 4.621 4.556 1.00 0.00 C ATOM 1097 O ILE A 88 16.575 5.115 3.435 1.00 0.00 O ATOM 1098 CB ILE A 88 17.323 2.212 4.383 1.00 0.00 C ATOM 1099 CG1 ILE A 88 18.509 3.011 3.839 1.00 0.00 C ATOM 1100 CG2 ILE A 88 16.888 1.104 3.422 1.00 0.00 C ATOM 1101 CD1 ILE A 88 18.254 3.458 2.399 1.00 0.00 C ATOM 0 H ILE A 88 14.793 3.453 3.157 1.00 0.00 H new ATOM 0 HA ILE A 88 15.940 2.968 5.779 1.00 0.00 H new ATOM 0 HB ILE A 88 17.656 1.729 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 88 18.684 3.883 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.412 2.402 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 88 17.740 0.462 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.099 0.511 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.515 1.548 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.112 4.024 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 88 18.104 2.582 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 88 17.364 4.087 2.365 1.00 0.00 H new ATOM 1113 N ILE A 89 16.614 5.293 5.689 1.00 0.00 N ATOM 1114 CA ILE A 89 16.919 6.714 5.683 1.00 0.00 C ATOM 1115 C ILE A 89 17.721 7.064 6.937 1.00 0.00 C ATOM 1116 O ILE A 89 17.833 6.252 7.854 1.00 0.00 O ATOM 1117 CB ILE A 89 15.638 7.536 5.523 1.00 0.00 C ATOM 1118 CG1 ILE A 89 14.548 6.722 4.822 1.00 0.00 C ATOM 1119 CG2 ILE A 89 15.921 8.856 4.802 1.00 0.00 C ATOM 1120 CD1 ILE A 89 13.230 7.497 4.776 1.00 0.00 C ATOM 0 H ILE A 89 16.526 4.880 6.617 1.00 0.00 H new ATOM 0 HA ILE A 89 17.542 6.966 4.825 1.00 0.00 H new ATOM 0 HB ILE A 89 15.265 7.785 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.866 6.478 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.401 5.778 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.995 9.421 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.640 9.438 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 89 16.330 8.650 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.472 6.896 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.902 7.718 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.375 8.429 4.231 1.00 0.00 H new ATOM 1132 N GLU A 90 18.260 8.274 6.937 1.00 0.00 N ATOM 1133 CA GLU A 90 19.049 8.742 8.064 1.00 0.00 C ATOM 1134 C GLU A 90 18.381 9.956 8.713 1.00 0.00 C ATOM 1135 O GLU A 90 17.961 10.881 8.021 1.00 0.00 O ATOM 1136 CB GLU A 90 20.480 9.069 7.633 1.00 0.00 C ATOM 1137 CG GLU A 90 21.219 9.843 8.727 1.00 0.00 C ATOM 1138 CD GLU A 90 22.553 9.175 9.066 1.00 0.00 C ATOM 1139 OE1 GLU A 90 22.620 7.940 9.164 1.00 0.00 O ATOM 1140 OE2 GLU A 90 23.543 9.985 9.229 1.00 0.00 O ATOM 0 H GLU A 90 18.166 8.945 6.174 1.00 0.00 H new ATOM 0 HA GLU A 90 19.101 7.942 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.016 8.147 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.462 9.657 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.394 10.867 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.598 9.898 9.621 1.00 0.00 H new ATOM 1148 N ALA A 91 18.303 9.912 10.035 1.00 0.00 N ATOM 1149 CA ALA A 91 17.693 10.997 10.785 1.00 0.00 C ATOM 1150 C ALA A 91 18.764 11.694 11.627 1.00 0.00 C ATOM 1151 O ALA A 91 19.068 11.258 12.736 1.00 0.00 O ATOM 1152 CB ALA A 91 16.548 10.447 11.638 1.00 0.00 C ATOM 0 H ALA A 91 18.652 9.142 10.606 1.00 0.00 H new ATOM 0 HA ALA A 91 17.269 11.740 10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 91 16.090 11.261 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.801 9.988 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.936 9.700 12.331 1.00 0.00 H new ATOM 1158 N HIS A 92 19.305 12.766 11.067 1.00 0.00 N ATOM 1159 CA HIS A 92 20.335 13.529 11.752 1.00 0.00 C ATOM 1160 C HIS A 92 19.688 14.443 12.795 1.00 0.00 C ATOM 1161 O HIS A 92 18.470 14.435 12.963 1.00 0.00 O ATOM 1162 CB HIS A 92 21.202 14.293 10.750 1.00 0.00 C ATOM 1163 CG HIS A 92 22.545 13.654 10.486 1.00 0.00 C ATOM 1164 ND1 HIS A 92 23.088 13.547 9.218 1.00 0.00 N ATOM 1165 CD2 HIS A 92 23.447 13.092 11.341 1.00 0.00 C ATOM 1166 CE1 HIS A 92 24.264 12.945 9.317 1.00 0.00 C ATOM 1167 NE2 HIS A 92 24.484 12.663 10.633 1.00 0.00 N ATOM 0 H HIS A 92 19.050 13.124 10.147 1.00 0.00 H new ATOM 0 HA HIS A 92 21.005 12.850 12.280 1.00 0.00 H new ATOM 0 HB2 HIS A 92 20.661 14.379 9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 92 21.360 15.306 11.120 1.00 0.00 H new ATOM 0 HD2 HIS A 92 23.336 13.010 12.412 1.00 0.00 H new ATOM 0 HE1 HIS A 92 24.931 12.717 8.499 1.00 0.00 H new ATOM 0 HE2 HIS A 92 25.310 12.199 11.011 1.00 0.00 H new ATOM 1175 N ARG A 93 20.534 15.209 13.468 1.00 0.00 N ATOM 1176 CA ARG A 93 20.060 16.127 14.490 1.00 0.00 C ATOM 1177 C ARG A 93 19.855 17.522 13.897 1.00 0.00 C ATOM 1178 O ARG A 93 20.647 17.971 13.069 1.00 0.00 O ATOM 1179 CB ARG A 93 21.051 16.215 15.653 1.00 0.00 C ATOM 1180 CG ARG A 93 21.646 14.842 15.972 1.00 0.00 C ATOM 1181 CD ARG A 93 20.622 13.951 16.677 1.00 0.00 C ATOM 1182 NE ARG A 93 21.206 13.391 17.916 1.00 0.00 N ATOM 1183 CZ ARG A 93 21.290 14.063 19.084 1.00 0.00 C ATOM 1184 NH1 ARG A 93 20.827 15.328 19.181 1.00 0.00 N ATOM 1185 NH2 ARG A 93 21.831 13.466 20.129 1.00 0.00 N ATOM 0 H ARG A 93 21.544 15.213 13.326 1.00 0.00 H new ATOM 0 HA ARG A 93 19.110 15.745 14.864 1.00 0.00 H new ATOM 0 HB2 ARG A 93 21.850 16.912 15.402 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.548 16.611 16.535 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.978 14.363 15.051 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.526 14.961 16.604 1.00 0.00 H new ATOM 0 HD2 ARG A 93 19.728 14.528 16.915 1.00 0.00 H new ATOM 0 HD3 ARG A 93 20.313 13.143 16.014 1.00 0.00 H new ATOM 0 HE ARG A 93 21.568 12.438 17.886 1.00 0.00 H new ATOM 0 HH11 ARG A 93 20.410 15.782 18.368 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.894 15.829 20.067 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.178 12.510 20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 93 21.902 13.960 21.019 1.00 0.00 H new ATOM 1198 N GLU A 94 18.789 18.170 14.344 1.00 0.00 N ATOM 1199 CA GLU A 94 18.471 19.505 13.868 1.00 0.00 C ATOM 1200 C GLU A 94 17.542 20.213 14.856 1.00 0.00 C ATOM 1201 O GLU A 94 16.334 20.283 14.637 1.00 0.00 O ATOM 1202 CB GLU A 94 17.848 19.455 12.471 1.00 0.00 C ATOM 1203 CG GLU A 94 18.845 19.925 11.409 1.00 0.00 C ATOM 1204 CD GLU A 94 18.271 21.086 10.595 1.00 0.00 C ATOM 1205 OE1 GLU A 94 17.054 21.135 10.357 1.00 0.00 O ATOM 1206 OE2 GLU A 94 19.136 21.959 10.204 1.00 0.00 O ATOM 0 H GLU A 94 18.135 17.795 15.031 1.00 0.00 H new ATOM 0 HA GLU A 94 19.398 20.075 13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.527 18.438 12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.958 20.084 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.773 20.236 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.092 19.097 10.744 1.00 0.00 H new