USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-0.88) USER MOD Single : A 35 ASN : amide:sc= 0.24 K(o=0.24,f=-4.7!) USER MOD Single : A 37 THR OG1 : rot 172:sc= 0.265 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.623 K(o=-0.62,f=-0.11) USER MOD Single : A 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.016) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0.619 (180deg=0.233) USER MOD Single : A 52 SER OG : rot -33:sc= 0.00439 USER MOD Single : A 53 GLN : amide:sc=-0.00704 X(o=-0.007,f=-0.072) USER MOD Single : A 54 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 0.192 (180deg=0.0428) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.0356) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 1.16 (180deg=-0.0553) USER MOD Single : A 62 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.2!) USER MOD Single : A 63 CYS SG : rot 47:sc= -2.75! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 80:sc= 0.614 USER MOD Single : A 76 MET CE :methyl -134:sc= -1.81! (180deg=-5.76!) USER MOD Single : A 77 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-1.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 89 ASN : amide:sc= -0.42 K(o=-0.42,f=-7.9!) USER MOD Single : A 91 TYR OH : rot 52:sc= 0.174 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 0.607 (180deg=0.315) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 161:sc= -1.54 (180deg=-2.33) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.766 13.280 -6.593 1.00 0.00 N ATOM 21 CA LEU A 2 -4.997 12.004 -6.533 1.00 0.00 C ATOM 22 C LEU A 2 -5.786 10.778 -7.039 1.00 0.00 C ATOM 23 O LEU A 2 -5.265 9.670 -6.977 1.00 0.00 O ATOM 24 CB LEU A 2 -4.449 11.723 -5.097 1.00 0.00 C ATOM 25 CG LEU A 2 -5.384 10.968 -4.088 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.599 10.507 -2.857 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.590 11.819 -3.674 1.00 0.00 C ATOM 0 HA LEU A 2 -4.160 12.151 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.530 11.146 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.178 12.679 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.769 10.088 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.269 9.986 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.800 9.833 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.168 11.373 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.209 11.257 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.242 12.734 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.177 12.072 -4.557 1.00 0.00 H new ATOM 39 N GLU A 3 -7.033 10.956 -7.510 1.00 0.00 N ATOM 40 CA GLU A 3 -7.856 9.816 -8.007 1.00 0.00 C ATOM 41 C GLU A 3 -7.251 9.186 -9.293 1.00 0.00 C ATOM 42 O GLU A 3 -7.604 8.066 -9.670 1.00 0.00 O ATOM 43 CB GLU A 3 -9.350 10.202 -8.227 1.00 0.00 C ATOM 44 CG GLU A 3 -9.626 11.339 -9.248 1.00 0.00 C ATOM 45 CD GLU A 3 -9.317 12.762 -8.746 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.313 12.996 -7.516 1.00 0.00 O ATOM 47 OE2 GLU A 3 -9.102 13.665 -9.575 1.00 0.00 O ATOM 0 H GLU A 3 -7.497 11.863 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.834 9.063 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.888 9.312 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.772 10.496 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.035 11.151 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.675 11.295 -9.542 1.00 0.00 H new ATOM 54 N ASP A 4 -6.334 9.923 -9.951 1.00 0.00 N ATOM 55 CA ASP A 4 -5.524 9.408 -11.084 1.00 0.00 C ATOM 56 C ASP A 4 -4.452 8.397 -10.605 1.00 0.00 C ATOM 57 O ASP A 4 -3.884 7.652 -11.406 1.00 0.00 O ATOM 58 CB ASP A 4 -4.845 10.583 -11.828 1.00 0.00 C ATOM 59 CG ASP A 4 -5.857 11.560 -12.440 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.312 12.482 -11.729 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.212 11.407 -13.631 1.00 0.00 O ATOM 0 H ASP A 4 -6.130 10.894 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.197 8.886 -11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.199 11.122 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.206 10.187 -12.617 1.00 0.00 H new ATOM 66 N TYR A 5 -4.173 8.408 -9.293 1.00 0.00 N ATOM 67 CA TYR A 5 -3.221 7.492 -8.628 1.00 0.00 C ATOM 68 C TYR A 5 -3.942 6.232 -8.087 1.00 0.00 C ATOM 69 O TYR A 5 -3.297 5.349 -7.494 1.00 0.00 O ATOM 70 CB TYR A 5 -2.495 8.239 -7.467 1.00 0.00 C ATOM 71 CG TYR A 5 -1.571 9.392 -7.912 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.095 10.573 -8.453 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.180 9.299 -7.799 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.274 11.604 -8.858 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.644 10.331 -8.203 1.00 0.00 C ATOM 76 CZ TYR A 5 0.091 11.481 -8.732 1.00 0.00 C ATOM 77 OH TYR A 5 0.904 12.519 -9.121 1.00 0.00 O ATOM 0 H TYR A 5 -4.610 9.066 -8.647 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.486 7.166 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.246 8.638 -6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.904 7.517 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.165 10.678 -8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.259 8.402 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.701 12.505 -9.273 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.716 10.239 -8.106 1.00 0.00 H new ATOM 0 HH TYR A 5 1.841 12.276 -8.967 1.00 0.00 H new ATOM 87 N ALA A 6 -5.287 6.175 -8.268 1.00 0.00 N ATOM 88 CA ALA A 6 -6.118 5.023 -7.859 1.00 0.00 C ATOM 89 C ALA A 6 -5.875 3.831 -8.787 1.00 0.00 C ATOM 90 O ALA A 6 -6.418 3.770 -9.893 1.00 0.00 O ATOM 91 CB ALA A 6 -7.615 5.401 -7.833 1.00 0.00 C ATOM 0 H ALA A 6 -5.821 6.928 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.828 4.737 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.204 4.535 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.773 6.214 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.927 5.721 -8.827 1.00 0.00 H new ATOM 97 N ILE A 7 -5.016 2.912 -8.346 1.00 0.00 N ATOM 98 CA ILE A 7 -4.721 1.670 -9.070 1.00 0.00 C ATOM 99 C ILE A 7 -5.552 0.536 -8.451 1.00 0.00 C ATOM 100 O ILE A 7 -5.611 0.413 -7.223 1.00 0.00 O ATOM 101 CB ILE A 7 -3.179 1.328 -9.029 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.337 2.579 -9.468 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.861 0.096 -9.920 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.835 2.364 -9.553 1.00 0.00 C ATOM 0 H ILE A 7 -4.501 3.007 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.987 1.793 -10.120 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.905 1.072 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.694 2.911 -10.443 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.531 3.389 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.793 -0.120 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.421 -0.767 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.145 0.309 -10.950 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.352 3.290 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.454 2.067 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.620 1.581 -10.280 1.00 0.00 H new ATOM 116 N SER A 8 -6.228 -0.252 -9.294 1.00 0.00 N ATOM 117 CA SER A 8 -7.047 -1.399 -8.851 1.00 0.00 C ATOM 118 C SER A 8 -6.255 -2.712 -8.980 1.00 0.00 C ATOM 119 O SER A 8 -5.284 -2.780 -9.735 1.00 0.00 O ATOM 120 CB SER A 8 -8.332 -1.461 -9.691 1.00 0.00 C ATOM 121 OG SER A 8 -9.022 -0.233 -9.659 1.00 0.00 O ATOM 0 H SER A 8 -6.226 -0.117 -10.305 1.00 0.00 H new ATOM 0 HA SER A 8 -7.310 -1.267 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.084 -1.715 -10.722 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.978 -2.254 -9.314 1.00 0.00 H new ATOM 0 HG SER A 8 -9.834 -0.300 -10.203 1.00 0.00 H new ATOM 127 N LEU A 9 -6.675 -3.749 -8.227 1.00 0.00 N ATOM 128 CA LEU A 9 -6.043 -5.092 -8.256 1.00 0.00 C ATOM 129 C LEU A 9 -6.155 -5.749 -9.661 1.00 0.00 C ATOM 130 O LEU A 9 -5.288 -6.537 -10.063 1.00 0.00 O ATOM 131 CB LEU A 9 -6.673 -5.997 -7.156 1.00 0.00 C ATOM 132 CG LEU A 9 -6.136 -7.464 -7.046 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.605 -7.496 -6.856 1.00 0.00 C ATOM 134 CD2 LEU A 9 -6.853 -8.238 -5.909 1.00 0.00 C ATOM 0 H LEU A 9 -7.461 -3.683 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.980 -4.975 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.526 -5.510 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.748 -6.042 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.360 -7.964 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.269 -8.530 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.123 -7.016 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.341 -6.964 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.460 -9.253 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.680 -7.732 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.923 -8.273 -6.112 1.00 0.00 H new ATOM 146 N GLU A 10 -7.210 -5.369 -10.402 1.00 0.00 N ATOM 147 CA GLU A 10 -7.487 -5.869 -11.770 1.00 0.00 C ATOM 148 C GLU A 10 -6.474 -5.339 -12.822 1.00 0.00 C ATOM 149 O GLU A 10 -6.422 -5.856 -13.941 1.00 0.00 O ATOM 150 CB GLU A 10 -8.931 -5.468 -12.177 1.00 0.00 C ATOM 151 CG GLU A 10 -9.169 -3.945 -12.208 1.00 0.00 C ATOM 152 CD GLU A 10 -10.615 -3.551 -12.526 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.454 -3.543 -11.604 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.920 -3.252 -13.696 1.00 0.00 O ATOM 0 H GLU A 10 -7.904 -4.700 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.382 -6.954 -11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.148 -5.880 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.634 -5.922 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.892 -3.524 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.509 -3.499 -12.952 1.00 0.00 H new ATOM 161 N GLU A 11 -5.677 -4.320 -12.452 1.00 0.00 N ATOM 162 CA GLU A 11 -4.764 -3.611 -13.389 1.00 0.00 C ATOM 163 C GLU A 11 -3.362 -3.378 -12.777 1.00 0.00 C ATOM 164 O GLU A 11 -2.495 -2.779 -13.425 1.00 0.00 O ATOM 165 CB GLU A 11 -5.410 -2.252 -13.783 1.00 0.00 C ATOM 166 CG GLU A 11 -5.798 -1.376 -12.569 1.00 0.00 C ATOM 167 CD GLU A 11 -6.463 -0.038 -12.914 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.475 -0.036 -13.648 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.012 1.013 -12.407 1.00 0.00 O ATOM 0 H GLU A 11 -5.642 -3.960 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.624 -4.237 -14.271 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.714 -1.698 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.300 -2.443 -14.382 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.474 -1.946 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.900 -1.177 -11.984 1.00 0.00 H new ATOM 176 N VAL A 12 -3.142 -3.853 -11.537 1.00 0.00 N ATOM 177 CA VAL A 12 -1.898 -3.577 -10.784 1.00 0.00 C ATOM 178 C VAL A 12 -0.759 -4.547 -11.169 1.00 0.00 C ATOM 179 O VAL A 12 -1.004 -5.681 -11.602 1.00 0.00 O ATOM 180 CB VAL A 12 -2.144 -3.652 -9.230 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.386 -5.097 -8.734 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.003 -2.969 -8.438 1.00 0.00 C ATOM 0 H VAL A 12 -3.811 -4.433 -11.031 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.594 -2.565 -11.052 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.062 -3.097 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.550 -5.089 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.263 -5.510 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.516 -5.711 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.208 -3.041 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.058 -3.465 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.938 -1.920 -8.725 1.00 0.00 H new ATOM 192 N ASN A 13 0.481 -4.070 -11.010 1.00 0.00 N ATOM 193 CA ASN A 13 1.699 -4.883 -11.110 1.00 0.00 C ATOM 194 C ASN A 13 2.566 -4.544 -9.895 1.00 0.00 C ATOM 195 O ASN A 13 3.307 -3.569 -9.932 1.00 0.00 O ATOM 196 CB ASN A 13 2.458 -4.588 -12.440 1.00 0.00 C ATOM 197 CG ASN A 13 1.638 -4.909 -13.696 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.712 -6.010 -14.240 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.840 -3.954 -14.158 1.00 0.00 N ATOM 0 H ASN A 13 0.670 -3.089 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 13 1.453 -5.945 -11.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.743 -3.536 -12.461 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.380 -5.169 -12.459 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.267 -4.124 -14.985 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.799 -3.051 -13.686 1.00 0.00 H new ATOM 206 N PHE A 14 2.430 -5.319 -8.797 1.00 0.00 N ATOM 207 CA PHE A 14 3.122 -5.024 -7.517 1.00 0.00 C ATOM 208 C PHE A 14 4.650 -4.980 -7.700 1.00 0.00 C ATOM 209 O PHE A 14 5.319 -4.105 -7.153 1.00 0.00 O ATOM 210 CB PHE A 14 2.740 -6.052 -6.415 1.00 0.00 C ATOM 211 CG PHE A 14 1.269 -6.010 -6.003 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.712 -4.835 -5.517 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.450 -7.134 -6.096 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.611 -4.782 -5.133 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.877 -7.081 -5.711 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.408 -5.903 -5.232 1.00 0.00 C ATOM 0 H PHE A 14 1.847 -6.156 -8.769 1.00 0.00 H new ATOM 0 HA PHE A 14 2.789 -4.038 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.978 -7.055 -6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.358 -5.871 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.324 -3.949 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.858 -8.060 -6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.025 -3.859 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.497 -7.962 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.445 -5.858 -4.935 1.00 0.00 H new ATOM 226 N ASN A 15 5.166 -5.907 -8.522 1.00 0.00 N ATOM 227 CA ASN A 15 6.606 -5.997 -8.862 1.00 0.00 C ATOM 228 C ASN A 15 7.133 -4.696 -9.518 1.00 0.00 C ATOM 229 O ASN A 15 8.331 -4.407 -9.441 1.00 0.00 O ATOM 230 CB ASN A 15 6.869 -7.205 -9.807 1.00 0.00 C ATOM 231 CG ASN A 15 6.606 -8.577 -9.168 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.764 -8.728 -8.281 1.00 0.00 O ATOM 233 ND2 ASN A 15 7.309 -9.597 -9.640 1.00 0.00 N ATOM 0 H ASN A 15 4.597 -6.622 -8.975 1.00 0.00 H new ATOM 0 HA ASN A 15 7.146 -6.142 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.240 -7.103 -10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.904 -7.168 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.159 -10.535 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.000 -9.444 -10.375 1.00 0.00 H new ATOM 240 N ASP A 16 6.224 -3.929 -10.147 1.00 0.00 N ATOM 241 CA ASP A 16 6.557 -2.678 -10.860 1.00 0.00 C ATOM 242 C ASP A 16 6.841 -1.521 -9.876 1.00 0.00 C ATOM 243 O ASP A 16 7.710 -0.686 -10.137 1.00 0.00 O ATOM 244 CB ASP A 16 5.405 -2.279 -11.835 1.00 0.00 C ATOM 245 CG ASP A 16 5.765 -1.120 -12.783 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.774 -1.239 -13.509 1.00 0.00 O ATOM 247 OD2 ASP A 16 5.041 -0.101 -12.820 1.00 0.00 O ATOM 0 H ASP A 16 5.231 -4.160 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 16 7.464 -2.862 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.127 -3.149 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.528 -1.999 -11.251 1.00 0.00 H new ATOM 252 N PHE A 17 6.113 -1.481 -8.741 1.00 0.00 N ATOM 253 CA PHE A 17 6.204 -0.363 -7.762 1.00 0.00 C ATOM 254 C PHE A 17 6.902 -0.833 -6.472 1.00 0.00 C ATOM 255 O PHE A 17 6.954 -2.035 -6.185 1.00 0.00 O ATOM 256 CB PHE A 17 4.784 0.189 -7.399 1.00 0.00 C ATOM 257 CG PHE A 17 3.767 0.174 -8.547 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.800 1.136 -9.544 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.793 -0.820 -8.636 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.903 1.116 -10.589 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.894 -0.845 -9.683 1.00 0.00 C ATOM 262 CZ PHE A 17 1.949 0.121 -10.663 1.00 0.00 C ATOM 0 H PHE A 17 5.452 -2.210 -8.474 1.00 0.00 H new ATOM 0 HA PHE A 17 6.786 0.433 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.384 -0.398 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.890 1.213 -7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.544 1.917 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.741 -1.583 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.946 1.880 -11.351 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.147 -1.623 -9.734 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.249 0.100 -11.485 1.00 0.00 H new ATOM 272 N ILE A 18 7.445 0.124 -5.702 1.00 0.00 N ATOM 273 CA ILE A 18 7.851 -0.099 -4.304 1.00 0.00 C ATOM 274 C ILE A 18 6.573 -0.078 -3.458 1.00 0.00 C ATOM 275 O ILE A 18 6.015 0.994 -3.212 1.00 0.00 O ATOM 276 CB ILE A 18 8.847 1.008 -3.779 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.088 1.156 -4.720 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.284 0.711 -2.321 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.077 2.238 -4.307 1.00 0.00 C ATOM 0 H ILE A 18 7.615 1.074 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 18 8.377 -1.051 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 18 8.317 1.960 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.612 0.201 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.737 1.370 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.970 1.487 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.407 0.694 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.783 -0.257 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.903 2.266 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.574 3.205 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.462 2.018 -3.311 1.00 0.00 H new ATOM 291 N VAL A 19 6.092 -1.248 -3.036 1.00 0.00 N ATOM 292 CA VAL A 19 4.774 -1.357 -2.395 1.00 0.00 C ATOM 293 C VAL A 19 4.931 -1.124 -0.883 1.00 0.00 C ATOM 294 O VAL A 19 6.014 -1.329 -0.322 1.00 0.00 O ATOM 295 CB VAL A 19 4.108 -2.752 -2.721 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.665 -2.856 -2.185 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.129 -3.024 -4.243 1.00 0.00 C ATOM 0 H VAL A 19 6.591 -2.133 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 19 4.104 -0.594 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 19 4.701 -3.511 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.253 -3.834 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.669 -2.731 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.052 -2.077 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.666 -3.989 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.576 -2.240 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.160 -3.035 -4.597 1.00 0.00 H new ATOM 307 N VAL A 20 3.865 -0.631 -0.246 1.00 0.00 N ATOM 308 CA VAL A 20 3.803 -0.404 1.206 1.00 0.00 C ATOM 309 C VAL A 20 2.496 -0.985 1.739 1.00 0.00 C ATOM 310 O VAL A 20 1.421 -0.697 1.202 1.00 0.00 O ATOM 311 CB VAL A 20 3.898 1.130 1.573 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.650 1.399 3.079 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.258 1.721 1.140 1.00 0.00 C ATOM 0 H VAL A 20 3.005 -0.373 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 20 4.658 -0.898 1.666 1.00 0.00 H new ATOM 0 HB VAL A 20 3.103 1.630 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.727 2.468 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.654 1.051 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.395 0.867 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.296 2.778 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.063 1.190 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.375 1.612 0.062 1.00 0.00 H new ATOM 323 N ASP A 21 2.600 -1.828 2.771 1.00 0.00 N ATOM 324 CA ASP A 21 1.439 -2.318 3.511 1.00 0.00 C ATOM 325 C ASP A 21 1.005 -1.199 4.466 1.00 0.00 C ATOM 326 O ASP A 21 1.663 -0.991 5.479 1.00 0.00 O ATOM 327 CB ASP A 21 1.835 -3.613 4.295 1.00 0.00 C ATOM 328 CG ASP A 21 0.625 -4.388 4.855 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.097 -4.032 5.923 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.192 -5.364 4.198 1.00 0.00 O ATOM 0 H ASP A 21 3.491 -2.188 3.114 1.00 0.00 H new ATOM 0 HA ASP A 21 0.615 -2.574 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.402 -4.269 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.495 -3.342 5.119 1.00 0.00 H new ATOM 335 N VAL A 22 -0.067 -0.449 4.111 1.00 0.00 N ATOM 336 CA VAL A 22 -0.606 0.637 4.967 1.00 0.00 C ATOM 337 C VAL A 22 -1.783 0.106 5.783 1.00 0.00 C ATOM 338 O VAL A 22 -2.955 0.297 5.433 1.00 0.00 O ATOM 339 CB VAL A 22 -1.017 1.928 4.150 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.235 2.714 3.701 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.905 1.572 2.925 1.00 0.00 C ATOM 0 H VAL A 22 -0.576 -0.577 3.236 1.00 0.00 H new ATOM 0 HA VAL A 22 0.194 0.953 5.637 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.606 2.561 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.072 3.598 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.806 3.020 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.855 2.080 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.167 2.484 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.357 0.905 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.814 1.078 3.266 1.00 0.00 H new ATOM 351 N ARG A 23 -1.466 -0.588 6.880 1.00 0.00 N ATOM 352 CA ARG A 23 -2.479 -1.216 7.745 1.00 0.00 C ATOM 353 C ARG A 23 -1.985 -1.206 9.206 1.00 0.00 C ATOM 354 O ARG A 23 -2.047 -0.152 9.844 1.00 0.00 O ATOM 355 CB ARG A 23 -2.847 -2.654 7.250 1.00 0.00 C ATOM 356 CG ARG A 23 -3.507 -2.741 5.851 1.00 0.00 C ATOM 357 CD ARG A 23 -3.921 -4.163 5.465 1.00 0.00 C ATOM 358 NE ARG A 23 -2.792 -5.095 5.356 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.870 -6.429 5.518 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.971 -7.003 6.007 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.811 -7.167 5.268 1.00 0.00 N ATOM 0 H ARG A 23 -0.507 -0.732 7.195 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.401 -0.636 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.939 -3.257 7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.522 -3.106 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.385 -2.096 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.812 -2.357 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.624 -4.542 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.449 -4.133 4.512 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.876 -4.701 5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.773 -6.429 6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.010 -8.016 6.122 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.945 -6.727 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.855 -8.179 5.386 1.00 0.00 H new ATOM 375 N GLU A 24 -1.458 -2.352 9.710 1.00 0.00 N ATOM 376 CA GLU A 24 -0.999 -2.526 11.118 1.00 0.00 C ATOM 377 C GLU A 24 0.008 -3.690 11.188 1.00 0.00 C ATOM 378 O GLU A 24 0.237 -4.380 10.184 1.00 0.00 O ATOM 379 CB GLU A 24 -2.194 -2.814 12.095 1.00 0.00 C ATOM 380 CG GLU A 24 -3.139 -1.623 12.360 1.00 0.00 C ATOM 381 CD GLU A 24 -4.339 -1.978 13.252 1.00 0.00 C ATOM 382 OE1 GLU A 24 -5.122 -2.873 12.866 1.00 0.00 O ATOM 383 OE2 GLU A 24 -4.520 -1.350 14.317 1.00 0.00 O ATOM 0 H GLU A 24 -1.337 -3.193 9.145 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.528 -1.594 11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.781 -3.638 11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.787 -3.152 13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.573 -0.818 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.505 -1.241 11.407 1.00 0.00 H new ATOM 390 N LEU A 25 0.588 -3.915 12.386 1.00 0.00 N ATOM 391 CA LEU A 25 1.528 -5.026 12.630 1.00 0.00 C ATOM 392 C LEU A 25 0.815 -6.389 12.493 1.00 0.00 C ATOM 393 O LEU A 25 1.319 -7.271 11.807 1.00 0.00 O ATOM 394 CB LEU A 25 2.184 -4.881 14.029 1.00 0.00 C ATOM 395 CG LEU A 25 3.142 -6.037 14.486 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.302 -6.255 13.491 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.676 -5.783 15.918 1.00 0.00 C ATOM 0 H LEU A 25 0.418 -3.334 13.207 1.00 0.00 H new ATOM 0 HA LEU A 25 2.315 -4.984 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.747 -3.948 14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.389 -4.787 14.769 1.00 0.00 H new ATOM 0 HG LEU A 25 2.555 -6.955 14.500 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.940 -7.064 13.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.898 -6.515 12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.888 -5.340 13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.337 -6.599 16.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.228 -4.843 15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.839 -5.728 16.614 1.00 0.00 H new ATOM 409 N ASP A 26 -0.367 -6.525 13.128 1.00 0.00 N ATOM 410 CA ASP A 26 -1.198 -7.760 13.071 1.00 0.00 C ATOM 411 C ASP A 26 -1.534 -8.133 11.617 1.00 0.00 C ATOM 412 O ASP A 26 -1.510 -9.307 11.237 1.00 0.00 O ATOM 413 CB ASP A 26 -2.502 -7.558 13.890 1.00 0.00 C ATOM 414 CG ASP A 26 -3.447 -8.779 13.877 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.258 -9.698 14.701 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.386 -8.826 13.059 1.00 0.00 O ATOM 0 H ASP A 26 -0.778 -5.785 13.697 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.626 -8.580 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.239 -7.326 14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.036 -6.694 13.496 1.00 0.00 H new ATOM 421 N GLU A 27 -1.809 -7.091 10.834 1.00 0.00 N ATOM 422 CA GLU A 27 -2.152 -7.186 9.410 1.00 0.00 C ATOM 423 C GLU A 27 -0.960 -7.721 8.570 1.00 0.00 C ATOM 424 O GLU A 27 -1.140 -8.460 7.597 1.00 0.00 O ATOM 425 CB GLU A 27 -2.573 -5.781 8.946 1.00 0.00 C ATOM 426 CG GLU A 27 -3.816 -5.207 9.662 1.00 0.00 C ATOM 427 CD GLU A 27 -5.118 -5.916 9.266 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.612 -5.657 8.148 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.662 -6.698 10.066 1.00 0.00 O ATOM 0 H GLU A 27 -1.800 -6.131 11.178 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.967 -7.896 9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.737 -5.098 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.770 -5.812 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.678 -5.289 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.903 -4.145 9.432 1.00 0.00 H new ATOM 436 N TYR A 28 0.253 -7.322 8.968 1.00 0.00 N ATOM 437 CA TYR A 28 1.519 -7.798 8.370 1.00 0.00 C ATOM 438 C TYR A 28 1.747 -9.296 8.678 1.00 0.00 C ATOM 439 O TYR A 28 2.194 -10.064 7.809 1.00 0.00 O ATOM 440 CB TYR A 28 2.669 -6.922 8.937 1.00 0.00 C ATOM 441 CG TYR A 28 4.112 -7.310 8.553 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.711 -6.817 7.394 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.882 -8.141 9.377 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.017 -7.134 7.075 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.185 -8.452 9.058 1.00 0.00 C ATOM 446 CZ TYR A 28 6.746 -7.950 7.906 1.00 0.00 C ATOM 447 OH TYR A 28 8.051 -8.261 7.585 1.00 0.00 O ATOM 0 H TYR A 28 0.392 -6.651 9.724 1.00 0.00 H new ATOM 0 HA TYR A 28 1.483 -7.705 7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.500 -5.894 8.616 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.595 -6.932 10.024 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.144 -6.176 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.446 -8.545 10.279 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.464 -6.741 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.765 -9.088 9.710 1.00 0.00 H new ATOM 0 HH TYR A 28 8.427 -8.847 8.275 1.00 0.00 H new ATOM 457 N GLU A 29 1.408 -9.687 9.918 1.00 0.00 N ATOM 458 CA GLU A 29 1.687 -11.032 10.464 1.00 0.00 C ATOM 459 C GLU A 29 0.799 -12.118 9.831 1.00 0.00 C ATOM 460 O GLU A 29 1.287 -13.220 9.538 1.00 0.00 O ATOM 461 CB GLU A 29 1.517 -11.024 12.008 1.00 0.00 C ATOM 462 CG GLU A 29 2.432 -10.031 12.754 1.00 0.00 C ATOM 463 CD GLU A 29 2.184 -10.005 14.266 1.00 0.00 C ATOM 464 OE1 GLU A 29 2.659 -10.923 14.969 1.00 0.00 O ATOM 465 OE2 GLU A 29 1.488 -9.092 14.758 1.00 0.00 O ATOM 0 H GLU A 29 0.928 -9.075 10.578 1.00 0.00 H new ATOM 0 HA GLU A 29 2.718 -11.279 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.479 -10.788 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.709 -12.028 12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.473 -10.294 12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.279 -9.031 12.349 1.00 0.00 H new ATOM 472 N GLU A 30 -0.500 -11.799 9.633 1.00 0.00 N ATOM 473 CA GLU A 30 -1.462 -12.733 9.014 1.00 0.00 C ATOM 474 C GLU A 30 -1.028 -13.071 7.565 1.00 0.00 C ATOM 475 O GLU A 30 -0.863 -14.243 7.220 1.00 0.00 O ATOM 476 CB GLU A 30 -2.921 -12.157 9.056 1.00 0.00 C ATOM 477 CG GLU A 30 -3.055 -10.692 8.593 1.00 0.00 C ATOM 478 CD GLU A 30 -4.495 -10.217 8.311 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.393 -10.503 9.124 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.734 -9.576 7.253 1.00 0.00 O ATOM 0 H GLU A 30 -0.905 -10.900 9.894 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.464 -13.657 9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.560 -12.780 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.298 -12.236 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.620 -10.046 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.463 -10.559 7.688 1.00 0.00 H new ATOM 487 N LEU A 31 -0.791 -12.016 6.754 1.00 0.00 N ATOM 488 CA LEU A 31 -0.347 -12.120 5.349 1.00 0.00 C ATOM 489 C LEU A 31 -0.191 -10.719 4.752 1.00 0.00 C ATOM 490 O LEU A 31 -0.957 -9.809 5.074 1.00 0.00 O ATOM 491 CB LEU A 31 -1.255 -13.039 4.432 1.00 0.00 C ATOM 492 CG LEU A 31 -2.779 -12.699 4.144 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.574 -12.411 5.414 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.984 -11.587 3.102 1.00 0.00 C ATOM 0 H LEU A 31 -0.906 -11.051 7.065 1.00 0.00 H new ATOM 0 HA LEU A 31 0.618 -12.627 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.759 -13.104 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.233 -14.038 4.869 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.179 -13.613 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.608 -12.185 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.547 -13.284 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.136 -11.558 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.051 -11.413 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.510 -10.670 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.537 -11.889 2.155 1.00 0.00 H new ATOM 506 N HIS A 32 0.791 -10.572 3.863 1.00 0.00 N ATOM 507 CA HIS A 32 1.121 -9.291 3.218 1.00 0.00 C ATOM 508 C HIS A 32 1.949 -9.580 1.954 1.00 0.00 C ATOM 509 O HIS A 32 2.348 -10.723 1.721 1.00 0.00 O ATOM 510 CB HIS A 32 1.912 -8.380 4.203 1.00 0.00 C ATOM 511 CG HIS A 32 3.294 -8.893 4.524 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.526 -10.080 5.178 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.514 -8.405 4.212 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.819 -10.296 5.235 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.438 -9.298 4.663 1.00 0.00 N ATOM 0 H HIS A 32 1.388 -11.343 3.564 1.00 0.00 H new ATOM 0 HA HIS A 32 0.207 -8.765 2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.995 -7.381 3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.346 -8.283 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.719 -7.477 3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.293 -11.157 5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.449 -9.203 4.569 1.00 0.00 H new ATOM 524 N LEU A 33 2.204 -8.545 1.149 1.00 0.00 N ATOM 525 CA LEU A 33 3.065 -8.655 -0.047 1.00 0.00 C ATOM 526 C LEU A 33 4.558 -8.627 0.350 1.00 0.00 C ATOM 527 O LEU A 33 4.918 -7.933 1.300 1.00 0.00 O ATOM 528 CB LEU A 33 2.742 -7.506 -1.024 1.00 0.00 C ATOM 529 CG LEU A 33 1.323 -7.554 -1.649 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.960 -6.205 -2.278 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.192 -8.707 -2.682 1.00 0.00 C ATOM 0 H LEU A 33 1.825 -7.610 1.300 1.00 0.00 H new ATOM 0 HA LEU A 33 2.867 -9.607 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.859 -6.559 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.477 -7.516 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 33 0.614 -7.756 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.039 -6.262 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.981 -5.429 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.680 -5.962 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.185 -8.709 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.916 -8.561 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.383 -9.660 -2.189 1.00 0.00 H new ATOM 543 N PRO A 34 5.447 -9.352 -0.397 1.00 0.00 N ATOM 544 CA PRO A 34 6.889 -9.458 -0.062 1.00 0.00 C ATOM 545 C PRO A 34 7.579 -8.082 -0.094 1.00 0.00 C ATOM 546 O PRO A 34 8.289 -7.690 0.831 1.00 0.00 O ATOM 547 CB PRO A 34 7.465 -10.391 -1.176 1.00 0.00 C ATOM 548 CG PRO A 34 6.274 -11.044 -1.807 1.00 0.00 C ATOM 549 CD PRO A 34 5.123 -10.088 -1.645 1.00 0.00 C ATOM 0 HA PRO A 34 7.052 -9.844 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.034 -9.821 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.142 -11.134 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.459 -11.252 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.056 -11.998 -1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.040 -9.413 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.173 -10.616 -1.563 1.00 0.00 H new ATOM 557 N ASN A 35 7.289 -7.352 -1.174 1.00 0.00 N ATOM 558 CA ASN A 35 7.852 -6.026 -1.474 1.00 0.00 C ATOM 559 C ASN A 35 6.991 -4.892 -0.868 1.00 0.00 C ATOM 560 O ASN A 35 7.145 -3.718 -1.253 1.00 0.00 O ATOM 561 CB ASN A 35 7.963 -5.878 -3.017 1.00 0.00 C ATOM 562 CG ASN A 35 6.615 -5.985 -3.757 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.675 -6.662 -3.318 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.511 -5.329 -4.887 1.00 0.00 N ATOM 0 H ASN A 35 6.636 -7.674 -1.888 1.00 0.00 H new ATOM 0 HA ASN A 35 8.840 -5.943 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.416 -4.914 -3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.636 -6.646 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.644 -5.370 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.297 -4.777 -5.231 1.00 0.00 H new ATOM 571 N ALA A 36 6.074 -5.254 0.060 1.00 0.00 N ATOM 572 CA ALA A 36 5.290 -4.285 0.841 1.00 0.00 C ATOM 573 C ALA A 36 6.016 -3.943 2.147 1.00 0.00 C ATOM 574 O ALA A 36 6.294 -4.833 2.957 1.00 0.00 O ATOM 575 CB ALA A 36 3.882 -4.813 1.140 1.00 0.00 C ATOM 0 H ALA A 36 5.862 -6.226 0.283 1.00 0.00 H new ATOM 0 HA ALA A 36 5.188 -3.380 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.331 -4.072 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.359 -5.005 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.954 -5.738 1.711 1.00 0.00 H new ATOM 581 N THR A 37 6.312 -2.653 2.336 1.00 0.00 N ATOM 582 CA THR A 37 6.936 -2.134 3.552 1.00 0.00 C ATOM 583 C THR A 37 5.870 -1.965 4.647 1.00 0.00 C ATOM 584 O THR A 37 4.852 -1.308 4.413 1.00 0.00 O ATOM 585 CB THR A 37 7.625 -0.764 3.254 1.00 0.00 C ATOM 586 OG1 THR A 37 8.579 -0.930 2.188 1.00 0.00 O ATOM 587 CG2 THR A 37 8.330 -0.171 4.493 1.00 0.00 C ATOM 0 H THR A 37 6.122 -1.933 1.639 1.00 0.00 H new ATOM 0 HA THR A 37 7.693 -2.838 3.898 1.00 0.00 H new ATOM 0 HB THR A 37 6.843 -0.063 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.919 -0.053 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.791 0.780 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.599 -0.012 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.098 -0.862 4.840 1.00 0.00 H new ATOM 595 N LEU A 38 6.088 -2.588 5.821 1.00 0.00 N ATOM 596 CA LEU A 38 5.185 -2.450 6.970 1.00 0.00 C ATOM 597 C LEU A 38 5.193 -1.009 7.481 1.00 0.00 C ATOM 598 O LEU A 38 6.198 -0.532 8.024 1.00 0.00 O ATOM 599 CB LEU A 38 5.564 -3.414 8.122 1.00 0.00 C ATOM 600 CG LEU A 38 4.779 -3.223 9.474 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.244 -3.254 9.261 1.00 0.00 C ATOM 602 CD2 LEU A 38 5.216 -4.262 10.530 1.00 0.00 C ATOM 0 H LEU A 38 6.889 -3.195 5.995 1.00 0.00 H new ATOM 0 HA LEU A 38 4.184 -2.712 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.410 -4.437 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.629 -3.303 8.325 1.00 0.00 H new ATOM 0 HG LEU A 38 5.033 -2.233 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.741 -3.119 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.955 -2.452 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.956 -4.214 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.655 -4.103 11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.020 -5.266 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.282 -4.151 10.730 1.00 0.00 H new ATOM 614 N ILE A 39 4.074 -0.320 7.258 1.00 0.00 N ATOM 615 CA ILE A 39 3.785 0.987 7.845 1.00 0.00 C ATOM 616 C ILE A 39 2.319 1.001 8.256 1.00 0.00 C ATOM 617 O ILE A 39 1.435 0.668 7.465 1.00 0.00 O ATOM 618 CB ILE A 39 4.080 2.181 6.856 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.595 2.222 6.473 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.620 3.539 7.459 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.982 3.277 5.460 1.00 0.00 C ATOM 0 H ILE A 39 3.328 -0.662 6.652 1.00 0.00 H new ATOM 0 HA ILE A 39 4.440 1.133 8.704 1.00 0.00 H new ATOM 0 HB ILE A 39 3.504 2.012 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.177 2.383 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.879 1.245 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.837 4.342 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.548 3.506 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.153 3.722 8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.053 3.219 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.435 3.109 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.737 4.264 5.851 1.00 0.00 H new ATOM 633 N SER A 40 2.058 1.384 9.494 1.00 0.00 N ATOM 634 CA SER A 40 0.690 1.553 9.967 1.00 0.00 C ATOM 635 C SER A 40 0.150 2.877 9.398 1.00 0.00 C ATOM 636 O SER A 40 0.781 3.921 9.576 1.00 0.00 O ATOM 637 CB SER A 40 0.636 1.519 11.504 1.00 0.00 C ATOM 638 OG SER A 40 1.169 0.302 12.014 1.00 0.00 O ATOM 0 H SER A 40 2.774 1.585 10.192 1.00 0.00 H new ATOM 0 HA SER A 40 0.062 0.732 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.197 2.362 11.908 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.396 1.634 11.836 1.00 0.00 H new ATOM 0 HG SER A 40 1.123 0.310 12.993 1.00 0.00 H new ATOM 644 N VAL A 41 -0.969 2.800 8.639 1.00 0.00 N ATOM 645 CA VAL A 41 -1.656 3.959 8.011 1.00 0.00 C ATOM 646 C VAL A 41 -1.867 5.160 8.980 1.00 0.00 C ATOM 647 O VAL A 41 -1.851 6.314 8.539 1.00 0.00 O ATOM 648 CB VAL A 41 -3.031 3.486 7.393 1.00 0.00 C ATOM 649 CG1 VAL A 41 -3.897 2.764 8.448 1.00 0.00 C ATOM 650 CG2 VAL A 41 -3.811 4.649 6.715 1.00 0.00 C ATOM 0 H VAL A 41 -1.431 1.912 8.441 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.001 4.330 7.223 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.794 2.771 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.837 2.450 7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.363 1.889 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.103 3.442 9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.748 4.270 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.023 5.423 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.209 5.070 5.910 1.00 0.00 H new ATOM 660 N ASN A 42 -2.033 4.883 10.297 1.00 0.00 N ATOM 661 CA ASN A 42 -2.238 5.941 11.321 1.00 0.00 C ATOM 662 C ASN A 42 -0.958 6.790 11.531 1.00 0.00 C ATOM 663 O ASN A 42 -1.041 7.965 11.906 1.00 0.00 O ATOM 664 CB ASN A 42 -2.723 5.336 12.673 1.00 0.00 C ATOM 665 CG ASN A 42 -1.618 4.665 13.500 1.00 0.00 C ATOM 666 OD1 ASN A 42 -0.999 5.287 14.368 1.00 0.00 O ATOM 667 ND2 ASN A 42 -1.367 3.399 13.249 1.00 0.00 N ATOM 0 H ASN A 42 -2.029 3.936 10.676 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.019 6.602 10.945 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.176 6.128 13.269 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.504 4.603 12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.646 2.908 13.777 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.893 2.908 12.526 1.00 0.00 H new ATOM 674 N ASP A 43 0.218 6.168 11.296 1.00 0.00 N ATOM 675 CA ASP A 43 1.527 6.829 11.404 1.00 0.00 C ATOM 676 C ASP A 43 1.782 7.678 10.163 1.00 0.00 C ATOM 677 O ASP A 43 2.322 7.194 9.156 1.00 0.00 O ATOM 678 CB ASP A 43 2.683 5.806 11.605 1.00 0.00 C ATOM 679 CG ASP A 43 2.647 5.111 12.972 1.00 0.00 C ATOM 680 OD1 ASP A 43 1.922 4.106 13.115 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.337 5.569 13.909 1.00 0.00 O ATOM 0 H ASP A 43 0.281 5.187 11.025 1.00 0.00 H new ATOM 0 HA ASP A 43 1.504 7.469 12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.632 5.051 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.638 6.320 11.491 1.00 0.00 H new ATOM 686 N GLN A 44 1.347 8.944 10.230 1.00 0.00 N ATOM 687 CA GLN A 44 1.666 9.942 9.210 1.00 0.00 C ATOM 688 C GLN A 44 3.180 10.230 9.197 1.00 0.00 C ATOM 689 O GLN A 44 3.740 10.507 8.144 1.00 0.00 O ATOM 690 CB GLN A 44 0.840 11.259 9.401 1.00 0.00 C ATOM 691 CG GLN A 44 -0.574 11.248 8.759 1.00 0.00 C ATOM 692 CD GLN A 44 -1.551 10.248 9.385 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.280 10.574 10.324 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.586 9.036 8.864 1.00 0.00 N ATOM 0 H GLN A 44 0.767 9.300 10.990 1.00 0.00 H new ATOM 0 HA GLN A 44 1.383 9.530 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.736 11.453 10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.407 12.089 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.001 12.248 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.475 11.023 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.970 8.797 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.229 8.338 9.238 1.00 0.00 H new ATOM 703 N GLU A 45 3.828 10.137 10.371 1.00 0.00 N ATOM 704 CA GLU A 45 5.275 10.381 10.504 1.00 0.00 C ATOM 705 C GLU A 45 6.119 9.295 9.793 1.00 0.00 C ATOM 706 O GLU A 45 7.026 9.624 9.034 1.00 0.00 O ATOM 707 CB GLU A 45 5.681 10.512 11.996 1.00 0.00 C ATOM 708 CG GLU A 45 5.317 9.312 12.895 1.00 0.00 C ATOM 709 CD GLU A 45 5.876 9.447 14.316 1.00 0.00 C ATOM 710 OE1 GLU A 45 5.276 10.170 15.134 1.00 0.00 O ATOM 711 OE2 GLU A 45 6.936 8.852 14.614 1.00 0.00 O ATOM 0 H GLU A 45 3.368 9.893 11.248 1.00 0.00 H new ATOM 0 HA GLU A 45 5.487 11.327 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.758 10.668 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.209 11.405 12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.232 9.215 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.699 8.396 12.444 1.00 0.00 H new ATOM 718 N LYS A 46 5.790 8.004 10.029 1.00 0.00 N ATOM 719 CA LYS A 46 6.551 6.857 9.474 1.00 0.00 C ATOM 720 C LYS A 46 6.345 6.753 7.957 1.00 0.00 C ATOM 721 O LYS A 46 7.300 6.517 7.203 1.00 0.00 O ATOM 722 CB LYS A 46 6.128 5.529 10.167 1.00 0.00 C ATOM 723 CG LYS A 46 6.793 4.210 9.650 1.00 0.00 C ATOM 724 CD LYS A 46 8.319 4.068 9.950 1.00 0.00 C ATOM 725 CE LYS A 46 9.239 4.696 8.884 1.00 0.00 C ATOM 726 NZ LYS A 46 10.680 4.599 9.246 1.00 0.00 N ATOM 0 H LYS A 46 4.995 7.728 10.605 1.00 0.00 H new ATOM 0 HA LYS A 46 7.610 7.028 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.342 5.620 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.048 5.425 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.272 3.362 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.644 4.146 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.532 4.530 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.561 3.009 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.074 4.199 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.971 5.744 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.201 5.387 8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.782 4.645 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.065 3.697 8.900 1.00 0.00 H new ATOM 740 N LEU A 47 5.097 6.932 7.522 1.00 0.00 N ATOM 741 CA LEU A 47 4.727 6.830 6.105 1.00 0.00 C ATOM 742 C LEU A 47 5.422 7.922 5.278 1.00 0.00 C ATOM 743 O LEU A 47 6.020 7.650 4.232 1.00 0.00 O ATOM 744 CB LEU A 47 3.198 6.920 5.966 1.00 0.00 C ATOM 745 CG LEU A 47 2.614 6.677 4.545 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.044 5.304 3.976 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.082 6.811 4.569 1.00 0.00 C ATOM 0 H LEU A 47 4.314 7.151 8.138 1.00 0.00 H new ATOM 0 HA LEU A 47 5.060 5.867 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.750 6.196 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.883 7.909 6.300 1.00 0.00 H new ATOM 0 HG LEU A 47 3.020 7.440 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.616 5.172 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.131 5.261 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.688 4.510 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.686 6.639 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.663 6.076 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.810 7.813 4.899 1.00 0.00 H new ATOM 759 N ALA A 48 5.357 9.152 5.803 1.00 0.00 N ATOM 760 CA ALA A 48 5.955 10.333 5.174 1.00 0.00 C ATOM 761 C ALA A 48 7.491 10.297 5.249 1.00 0.00 C ATOM 762 O ALA A 48 8.149 10.863 4.384 1.00 0.00 O ATOM 763 CB ALA A 48 5.404 11.595 5.827 1.00 0.00 C ATOM 0 H ALA A 48 4.884 9.356 6.683 1.00 0.00 H new ATOM 0 HA ALA A 48 5.688 10.334 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.850 12.472 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.322 11.627 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.646 11.590 6.890 1.00 0.00 H new ATOM 769 N ASP A 49 8.038 9.638 6.293 1.00 0.00 N ATOM 770 CA ASP A 49 9.496 9.408 6.442 1.00 0.00 C ATOM 771 C ASP A 49 10.007 8.535 5.286 1.00 0.00 C ATOM 772 O ASP A 49 10.973 8.901 4.607 1.00 0.00 O ATOM 773 CB ASP A 49 9.807 8.727 7.806 1.00 0.00 C ATOM 774 CG ASP A 49 11.268 8.249 7.955 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.161 9.086 8.210 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.534 7.034 7.789 1.00 0.00 O ATOM 0 H ASP A 49 7.484 9.250 7.057 1.00 0.00 H new ATOM 0 HA ASP A 49 10.006 10.371 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.582 9.428 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.142 7.873 7.933 1.00 0.00 H new ATOM 781 N PHE A 50 9.317 7.399 5.065 1.00 0.00 N ATOM 782 CA PHE A 50 9.612 6.459 3.963 1.00 0.00 C ATOM 783 C PHE A 50 9.578 7.182 2.609 1.00 0.00 C ATOM 784 O PHE A 50 10.404 6.931 1.722 1.00 0.00 O ATOM 785 CB PHE A 50 8.583 5.298 3.971 1.00 0.00 C ATOM 786 CG PHE A 50 8.817 4.232 2.889 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.732 3.201 3.093 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.134 4.273 1.669 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.954 2.246 2.124 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.364 3.317 0.698 1.00 0.00 C ATOM 791 CZ PHE A 50 9.272 2.302 0.927 1.00 0.00 C ATOM 0 H PHE A 50 8.534 7.105 5.649 1.00 0.00 H new ATOM 0 HA PHE A 50 10.613 6.054 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.605 4.816 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.584 5.714 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.276 3.149 4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.419 5.061 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.664 1.452 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.833 3.364 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.448 1.553 0.169 1.00 0.00 H new ATOM 801 N LEU A 51 8.604 8.085 2.470 1.00 0.00 N ATOM 802 CA LEU A 51 8.422 8.880 1.259 1.00 0.00 C ATOM 803 C LEU A 51 9.460 10.013 1.162 1.00 0.00 C ATOM 804 O LEU A 51 9.814 10.409 0.064 1.00 0.00 O ATOM 805 CB LEU A 51 6.977 9.420 1.186 1.00 0.00 C ATOM 806 CG LEU A 51 5.864 8.330 1.080 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.465 8.964 1.050 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.078 7.407 -0.143 1.00 0.00 C ATOM 0 H LEU A 51 7.918 8.284 3.199 1.00 0.00 H new ATOM 0 HA LEU A 51 8.586 8.232 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.787 10.025 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.897 10.083 0.324 1.00 0.00 H new ATOM 0 HG LEU A 51 5.936 7.711 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.712 8.180 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.305 9.536 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.384 9.627 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.283 6.663 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.061 8.003 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.041 6.904 -0.055 1.00 0.00 H new ATOM 820 N SER A 52 9.971 10.489 2.310 1.00 0.00 N ATOM 821 CA SER A 52 10.974 11.575 2.365 1.00 0.00 C ATOM 822 C SER A 52 12.389 11.056 2.032 1.00 0.00 C ATOM 823 O SER A 52 13.281 11.855 1.733 1.00 0.00 O ATOM 824 CB SER A 52 10.959 12.250 3.757 1.00 0.00 C ATOM 825 OG SER A 52 11.825 13.380 3.808 1.00 0.00 O ATOM 0 H SER A 52 9.703 10.134 3.228 1.00 0.00 H new ATOM 0 HA SER A 52 10.707 12.315 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.943 12.560 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.261 11.527 4.515 1.00 0.00 H new ATOM 0 HG SER A 52 12.602 13.223 3.231 1.00 0.00 H new ATOM 831 N GLN A 53 12.576 9.714 2.075 1.00 0.00 N ATOM 832 CA GLN A 53 13.877 9.055 1.765 1.00 0.00 C ATOM 833 C GLN A 53 14.389 9.384 0.339 1.00 0.00 C ATOM 834 O GLN A 53 15.597 9.294 0.083 1.00 0.00 O ATOM 835 CB GLN A 53 13.769 7.514 1.954 1.00 0.00 C ATOM 836 CG GLN A 53 13.308 7.070 3.361 1.00 0.00 C ATOM 837 CD GLN A 53 14.184 7.579 4.518 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.396 7.732 4.388 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.574 7.864 5.651 1.00 0.00 N ATOM 0 H GLN A 53 11.836 9.058 2.324 1.00 0.00 H new ATOM 0 HA GLN A 53 14.606 9.456 2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.072 7.118 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.741 7.066 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.286 7.415 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.285 5.981 3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.567 7.729 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.109 8.220 6.443 1.00 0.00 H new ATOM 848 N HIS A 54 13.458 9.752 -0.569 1.00 0.00 N ATOM 849 CA HIS A 54 13.779 10.197 -1.953 1.00 0.00 C ATOM 850 C HIS A 54 12.725 11.182 -2.478 1.00 0.00 C ATOM 851 O HIS A 54 13.075 12.162 -3.143 1.00 0.00 O ATOM 852 CB HIS A 54 13.923 8.980 -2.935 1.00 0.00 C ATOM 853 CG HIS A 54 15.295 8.347 -2.938 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.526 7.002 -2.743 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.514 8.903 -3.126 1.00 0.00 C ATOM 856 CE1 HIS A 54 16.817 6.764 -2.806 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.441 7.898 -3.045 1.00 0.00 N ATOM 0 H HIS A 54 12.458 9.750 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 54 14.740 10.709 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.186 8.223 -2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.686 9.313 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.719 9.948 -3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.287 5.800 -2.682 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.449 8.010 -3.152 1.00 0.00 H new ATOM 866 N LYS A 55 11.444 10.896 -2.161 1.00 0.00 N ATOM 867 CA LYS A 55 10.231 11.541 -2.735 1.00 0.00 C ATOM 868 C LYS A 55 9.995 11.083 -4.183 1.00 0.00 C ATOM 869 O LYS A 55 8.916 10.567 -4.514 1.00 0.00 O ATOM 870 CB LYS A 55 10.212 13.096 -2.612 1.00 0.00 C ATOM 871 CG LYS A 55 10.001 13.630 -1.179 1.00 0.00 C ATOM 872 CD LYS A 55 9.665 15.145 -1.140 1.00 0.00 C ATOM 873 CE LYS A 55 8.363 15.497 -1.892 1.00 0.00 C ATOM 874 NZ LYS A 55 8.029 16.943 -1.792 1.00 0.00 N ATOM 0 H LYS A 55 11.211 10.182 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 55 9.397 11.200 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.154 13.488 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.420 13.487 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.194 13.072 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.902 13.448 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.575 15.464 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.492 15.706 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.466 15.222 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.541 14.907 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.007 17.074 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.297 17.297 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.550 17.471 -2.521 1.00 0.00 H new ATOM 888 N ASP A 56 11.010 11.261 -5.039 1.00 0.00 N ATOM 889 CA ASP A 56 10.969 10.807 -6.426 1.00 0.00 C ATOM 890 C ASP A 56 11.320 9.310 -6.497 1.00 0.00 C ATOM 891 O ASP A 56 12.469 8.925 -6.744 1.00 0.00 O ATOM 892 CB ASP A 56 11.916 11.659 -7.313 1.00 0.00 C ATOM 893 CG ASP A 56 11.825 11.303 -8.811 1.00 0.00 C ATOM 894 OD1 ASP A 56 10.733 11.443 -9.395 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.838 10.900 -9.411 1.00 0.00 O ATOM 0 H ASP A 56 11.882 11.725 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 56 9.959 10.938 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.676 12.714 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.943 11.521 -6.975 1.00 0.00 H new ATOM 900 N LYS A 57 10.326 8.494 -6.155 1.00 0.00 N ATOM 901 CA LYS A 57 10.324 7.045 -6.373 1.00 0.00 C ATOM 902 C LYS A 57 8.856 6.579 -6.439 1.00 0.00 C ATOM 903 O LYS A 57 7.969 7.208 -5.831 1.00 0.00 O ATOM 904 CB LYS A 57 11.120 6.259 -5.282 1.00 0.00 C ATOM 905 CG LYS A 57 10.452 6.139 -3.893 1.00 0.00 C ATOM 906 CD LYS A 57 10.405 7.467 -3.105 1.00 0.00 C ATOM 907 CE LYS A 57 9.665 7.327 -1.769 1.00 0.00 C ATOM 908 NZ LYS A 57 10.188 6.210 -0.927 1.00 0.00 N ATOM 0 H LYS A 57 9.474 8.830 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 57 10.838 6.831 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.311 5.253 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.089 6.740 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.435 5.767 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.991 5.397 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.422 7.813 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.915 8.229 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.747 8.262 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.605 7.163 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.152 6.485 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.605 5.361 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.172 6.005 -1.194 1.00 0.00 H new ATOM 922 N LYS A 58 8.611 5.491 -7.165 1.00 0.00 N ATOM 923 CA LYS A 58 7.260 5.006 -7.461 1.00 0.00 C ATOM 924 C LYS A 58 6.777 4.087 -6.329 1.00 0.00 C ATOM 925 O LYS A 58 7.204 2.938 -6.244 1.00 0.00 O ATOM 926 CB LYS A 58 7.265 4.279 -8.819 1.00 0.00 C ATOM 927 CG LYS A 58 5.878 4.168 -9.470 1.00 0.00 C ATOM 928 CD LYS A 58 5.970 3.776 -10.952 1.00 0.00 C ATOM 929 CE LYS A 58 6.733 2.453 -11.173 1.00 0.00 C ATOM 930 NZ LYS A 58 6.810 2.078 -12.610 1.00 0.00 N ATOM 0 H LYS A 58 9.349 4.914 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 58 6.567 5.845 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.934 4.806 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.673 3.277 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.284 3.427 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.357 5.121 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.964 3.683 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.467 4.574 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.741 2.546 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.240 1.655 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.753 1.693 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.088 1.359 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.642 2.919 -13.198 1.00 0.00 H new ATOM 944 N VAL A 59 5.931 4.622 -5.433 1.00 0.00 N ATOM 945 CA VAL A 59 5.423 3.888 -4.263 1.00 0.00 C ATOM 946 C VAL A 59 3.918 3.642 -4.391 1.00 0.00 C ATOM 947 O VAL A 59 3.165 4.536 -4.784 1.00 0.00 O ATOM 948 CB VAL A 59 5.748 4.643 -2.921 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.098 3.962 -1.694 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.272 4.752 -2.721 1.00 0.00 C ATOM 0 H VAL A 59 5.580 5.577 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 59 5.932 2.924 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 59 5.322 5.643 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.351 4.519 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.015 3.945 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.469 2.941 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.480 5.277 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.706 3.753 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.710 5.304 -3.553 1.00 0.00 H new ATOM 960 N LEU A 60 3.507 2.414 -4.037 1.00 0.00 N ATOM 961 CA LEU A 60 2.116 1.965 -4.083 1.00 0.00 C ATOM 962 C LEU A 60 1.643 1.582 -2.667 1.00 0.00 C ATOM 963 O LEU A 60 2.071 0.559 -2.129 1.00 0.00 O ATOM 964 CB LEU A 60 2.008 0.736 -5.011 1.00 0.00 C ATOM 965 CG LEU A 60 0.576 0.156 -5.198 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.293 1.081 -6.073 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.627 -1.278 -5.755 1.00 0.00 C ATOM 0 H LEU A 60 4.149 1.695 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 60 1.489 2.771 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.401 1.008 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.651 -0.051 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 60 0.104 0.106 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.287 0.648 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.375 2.059 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.167 1.191 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.388 -1.658 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.131 -1.275 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.174 -1.918 -5.063 1.00 0.00 H new ATOM 979 N LEU A 61 0.761 2.392 -2.071 1.00 0.00 N ATOM 980 CA LEU A 61 0.208 2.120 -0.733 1.00 0.00 C ATOM 981 C LEU A 61 -0.974 1.137 -0.862 1.00 0.00 C ATOM 982 O LEU A 61 -2.076 1.544 -1.207 1.00 0.00 O ATOM 983 CB LEU A 61 -0.243 3.455 -0.064 1.00 0.00 C ATOM 984 CG LEU A 61 0.798 4.626 -0.078 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.264 5.864 0.669 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.160 4.188 0.495 1.00 0.00 C ATOM 0 H LEU A 61 0.410 3.250 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 61 0.972 1.667 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.150 3.798 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.508 3.246 0.972 1.00 0.00 H new ATOM 0 HG LEU A 61 0.951 4.901 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.011 6.657 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.652 6.211 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.054 5.601 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.854 5.028 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.032 3.857 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.559 3.368 -0.102 1.00 0.00 H new ATOM 998 N HIS A 62 -0.735 -0.167 -0.622 1.00 0.00 N ATOM 999 CA HIS A 62 -1.783 -1.204 -0.779 1.00 0.00 C ATOM 1000 C HIS A 62 -2.553 -1.396 0.542 1.00 0.00 C ATOM 1001 O HIS A 62 -1.964 -1.339 1.633 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.183 -2.557 -1.288 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.759 -3.529 -0.207 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.631 -4.432 0.365 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.426 -3.738 0.400 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.999 -5.139 1.271 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.254 -4.742 1.317 1.00 0.00 N ATOM 0 H HIS A 62 0.169 -0.530 -0.320 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.486 -0.859 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.922 -3.046 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.319 -2.338 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.346 -3.209 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.435 -5.918 1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.976 -5.118 1.932 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.861 -1.667 0.428 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.767 -1.839 1.588 1.00 0.00 C ATOM 1018 C CYS A 63 -5.534 -3.166 1.535 1.00 0.00 C ATOM 1019 O CYS A 63 -5.585 -3.827 0.496 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.744 -0.665 1.685 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.996 -0.832 2.972 1.00 0.00 S ATOM 0 H CYS A 63 -4.329 -1.775 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.143 -1.860 2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.177 0.248 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.244 -0.546 0.724 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.431 -1.209 4.080 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.034 -3.572 2.722 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.904 -4.751 2.921 1.00 0.00 C ATOM 1029 C ARG A 64 -8.159 -4.742 2.022 1.00 0.00 C ATOM 1030 O ARG A 64 -8.659 -5.811 1.654 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.288 -4.846 4.422 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.206 -6.024 4.832 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.176 -6.250 6.350 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.212 -7.163 6.849 1.00 0.00 N ATOM 1035 CZ ARG A 64 -9.275 -7.628 8.117 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.294 -7.387 8.986 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -10.305 -8.365 8.500 1.00 0.00 N ATOM 0 H ARG A 64 -5.838 -3.075 3.591 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.341 -5.636 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.369 -4.912 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.780 -3.916 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.228 -5.820 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.887 -6.932 4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.198 -6.644 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.285 -5.288 6.850 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.933 -7.467 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.480 -6.844 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.357 -7.745 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.051 -8.582 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.353 -8.716 9.456 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.663 -3.543 1.682 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.800 -3.393 0.747 1.00 0.00 C ATOM 1053 C ALA A 65 -9.620 -2.155 -0.156 1.00 0.00 C ATOM 1054 O ALA A 65 -9.887 -2.220 -1.366 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.130 -3.350 1.517 1.00 0.00 C ATOM 0 H ALA A 65 -8.302 -2.659 2.040 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.824 -4.264 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.955 -3.239 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.255 -4.275 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.125 -2.505 2.205 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.163 -1.024 0.426 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.855 0.180 -0.366 1.00 0.00 C ATOM 1063 C GLY A 66 -8.947 1.484 0.412 1.00 0.00 C ATOM 1064 O GLY A 66 -8.371 2.496 -0.017 1.00 0.00 O ATOM 0 H GLY A 66 -9.002 -0.923 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.849 0.084 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.539 0.228 -1.213 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.674 1.473 1.549 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.922 2.685 2.359 1.00 0.00 C ATOM 1070 C ARG A 67 -8.591 3.213 2.926 1.00 0.00 C ATOM 1071 O ARG A 67 -8.267 4.383 2.741 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.964 2.396 3.495 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.937 3.562 3.877 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.316 4.725 4.698 1.00 0.00 C ATOM 1075 NE ARG A 67 -10.468 5.637 3.897 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.897 6.705 3.197 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.187 6.997 3.114 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.013 7.473 2.567 1.00 0.00 N ATOM 0 H ARG A 67 -10.103 0.630 1.930 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.352 3.458 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.565 1.538 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.417 2.104 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.356 3.975 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.767 3.144 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.119 5.301 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.719 4.307 5.508 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.468 5.438 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.874 6.409 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.492 7.810 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.019 7.252 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.329 8.284 2.035 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.816 2.324 3.575 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.525 2.698 4.203 1.00 0.00 C ATOM 1094 C ARG A 68 -5.522 3.214 3.145 1.00 0.00 C ATOM 1095 O ARG A 68 -4.707 4.079 3.438 1.00 0.00 O ATOM 1096 CB ARG A 68 -5.894 1.502 4.963 1.00 0.00 C ATOM 1097 CG ARG A 68 -6.780 0.840 6.036 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.264 1.819 7.117 1.00 0.00 C ATOM 1099 NE ARG A 68 -7.757 1.117 8.319 1.00 0.00 N ATOM 1100 CZ ARG A 68 -7.609 1.545 9.591 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -7.077 2.732 9.855 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -8.027 0.789 10.595 1.00 0.00 N ATOM 0 H ARG A 68 -8.058 1.339 3.681 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.739 3.494 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.612 0.742 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.975 1.844 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.646 0.387 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.221 0.033 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.447 2.484 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.059 2.444 6.710 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.250 0.236 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.773 3.336 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.972 3.040 10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.460 -0.115 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.916 1.111 11.556 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.608 2.646 1.925 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.757 3.028 0.780 1.00 0.00 C ATOM 1118 C ALA A 69 -4.997 4.487 0.399 1.00 0.00 C ATOM 1119 O ALA A 69 -4.058 5.290 0.332 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.046 2.112 -0.419 1.00 0.00 C ATOM 0 H ALA A 69 -6.274 1.905 1.705 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.712 2.914 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.414 2.401 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.836 1.078 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.094 2.206 -0.704 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.283 4.796 0.173 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.749 6.136 -0.176 1.00 0.00 C ATOM 1128 C LEU A 70 -6.382 7.135 0.931 1.00 0.00 C ATOM 1129 O LEU A 70 -5.706 8.116 0.667 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.282 6.108 -0.423 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.958 7.478 -0.749 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.364 8.131 -2.020 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.489 7.326 -0.867 1.00 0.00 C ATOM 0 H LEU A 70 -7.035 4.109 0.230 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.258 6.462 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.483 5.423 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.763 5.692 0.462 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.746 8.148 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.864 9.081 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.298 8.304 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.512 7.468 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.934 8.295 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.724 6.622 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.891 6.954 0.075 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.791 6.813 2.178 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.607 7.680 3.373 1.00 0.00 C ATOM 1147 C ASP A 71 -5.134 8.092 3.555 1.00 0.00 C ATOM 1148 O ASP A 71 -4.823 9.281 3.724 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.120 6.931 4.636 1.00 0.00 C ATOM 1150 CG ASP A 71 -6.970 7.733 5.948 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -7.847 8.569 6.248 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -5.982 7.521 6.682 1.00 0.00 O ATOM 0 H ASP A 71 -7.264 5.935 2.390 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.183 8.594 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.171 6.679 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.577 5.991 4.733 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.255 7.081 3.505 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.798 7.245 3.597 1.00 0.00 C ATOM 1159 C ALA A 72 -2.264 8.191 2.504 1.00 0.00 C ATOM 1160 O ALA A 72 -1.556 9.164 2.794 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.143 5.860 3.478 1.00 0.00 C ATOM 0 H ALA A 72 -4.543 6.108 3.397 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.550 7.696 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.060 5.963 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.497 5.220 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.407 5.414 2.519 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.653 7.911 1.250 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.171 8.649 0.082 1.00 0.00 C ATOM 1169 C ALA A 73 -2.665 10.104 0.083 1.00 0.00 C ATOM 1170 O ALA A 73 -1.898 10.994 -0.287 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.569 7.925 -1.208 1.00 0.00 C ATOM 0 H ALA A 73 -3.311 7.166 1.022 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.083 8.685 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.203 8.486 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.132 6.926 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.655 7.847 -1.261 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.935 10.339 0.519 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.531 11.697 0.544 1.00 0.00 C ATOM 1179 C LYS A 74 -3.712 12.587 1.462 1.00 0.00 C ATOM 1180 O LYS A 74 -3.210 13.615 1.017 1.00 0.00 O ATOM 1181 CB LYS A 74 -6.030 11.707 0.977 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.970 10.856 0.089 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.461 11.289 0.141 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.753 12.528 -0.727 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.194 12.893 -0.727 1.00 0.00 N ATOM 0 H LYS A 74 -4.559 9.606 0.855 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.508 12.078 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.099 11.347 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.387 12.737 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.624 10.910 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.895 9.813 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.087 10.461 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.737 11.501 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.167 13.371 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.430 12.336 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.340 13.732 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.753 12.100 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.499 13.103 0.245 1.00 0.00 H new ATOM 1199 N SER A 75 -3.513 12.109 2.709 1.00 0.00 N ATOM 1200 CA SER A 75 -2.740 12.810 3.751 1.00 0.00 C ATOM 1201 C SER A 75 -1.352 13.238 3.226 1.00 0.00 C ATOM 1202 O SER A 75 -0.937 14.372 3.421 1.00 0.00 O ATOM 1203 CB SER A 75 -2.586 11.892 4.992 1.00 0.00 C ATOM 1204 OG SER A 75 -3.849 11.446 5.465 1.00 0.00 O ATOM 0 H SER A 75 -3.890 11.214 3.022 1.00 0.00 H new ATOM 0 HA SER A 75 -3.282 13.713 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.967 11.032 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.069 12.433 5.785 1.00 0.00 H new ATOM 0 HG SER A 75 -4.164 10.705 4.907 1.00 0.00 H new ATOM 1210 N MET A 76 -0.679 12.322 2.504 1.00 0.00 N ATOM 1211 CA MET A 76 0.690 12.543 1.986 1.00 0.00 C ATOM 1212 C MET A 76 0.719 13.491 0.780 1.00 0.00 C ATOM 1213 O MET A 76 1.674 14.252 0.635 1.00 0.00 O ATOM 1214 CB MET A 76 1.371 11.191 1.678 1.00 0.00 C ATOM 1215 CG MET A 76 1.874 10.493 2.940 1.00 0.00 C ATOM 1216 SD MET A 76 0.603 10.379 4.210 1.00 0.00 S ATOM 1217 CE MET A 76 1.590 10.291 5.685 1.00 0.00 C ATOM 0 H MET A 76 -1.065 11.409 2.262 1.00 0.00 H new ATOM 0 HA MET A 76 1.262 13.043 2.768 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.664 10.540 1.163 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.207 11.355 0.998 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.221 9.492 2.685 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.732 11.036 3.336 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.212 9.497 6.329 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.625 10.080 5.418 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.539 11.242 6.214 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.318 13.456 -0.069 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.475 14.438 -1.166 1.00 0.00 C ATOM 1229 C HIS A 77 -0.708 15.860 -0.596 1.00 0.00 C ATOM 1230 O HIS A 77 -0.328 16.855 -1.224 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.621 14.021 -2.132 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.245 12.999 -3.187 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.075 13.323 -4.519 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.072 11.655 -3.124 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.823 12.237 -5.212 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.815 11.210 -4.388 1.00 0.00 N ATOM 0 H HIS A 77 -1.063 12.761 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 77 0.449 14.454 -1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.444 13.621 -1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.994 14.914 -2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.128 11.047 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.651 12.193 -6.277 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.644 10.240 -4.652 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.329 15.924 0.599 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.532 17.180 1.350 1.00 0.00 C ATOM 1247 C GLU A 78 -0.210 17.652 1.997 1.00 0.00 C ATOM 1248 O GLU A 78 -0.010 18.850 2.213 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.614 16.970 2.445 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.962 16.432 1.922 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.740 17.438 1.069 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.353 18.362 1.644 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.743 17.317 -0.179 1.00 0.00 O ATOM 0 H GLU A 78 -1.705 15.103 1.072 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.867 17.949 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.226 16.277 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.789 17.919 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.780 15.534 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.578 16.136 2.771 1.00 0.00 H new ATOM 1260 N LEU A 79 0.674 16.683 2.333 1.00 0.00 N ATOM 1261 CA LEU A 79 2.009 16.971 2.909 1.00 0.00 C ATOM 1262 C LEU A 79 2.995 17.454 1.830 1.00 0.00 C ATOM 1263 O LEU A 79 3.979 18.131 2.144 1.00 0.00 O ATOM 1264 CB LEU A 79 2.601 15.726 3.622 1.00 0.00 C ATOM 1265 CG LEU A 79 1.771 15.136 4.804 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.508 13.968 5.493 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.359 16.222 5.825 1.00 0.00 C ATOM 0 H LEU A 79 0.484 15.688 2.214 1.00 0.00 H new ATOM 0 HA LEU A 79 1.868 17.765 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.739 14.941 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.590 15.987 3.998 1.00 0.00 H new ATOM 0 HG LEU A 79 0.853 14.736 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.898 13.584 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.686 13.173 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.461 14.321 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.783 15.765 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.252 16.690 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.751 16.977 5.327 1.00 0.00 H new ATOM 1279 N GLY A 80 2.739 17.075 0.564 1.00 0.00 N ATOM 1280 CA GLY A 80 3.573 17.495 -0.578 1.00 0.00 C ATOM 1281 C GLY A 80 4.187 16.332 -1.351 1.00 0.00 C ATOM 1282 O GLY A 80 4.941 16.552 -2.308 1.00 0.00 O ATOM 0 H GLY A 80 1.956 16.475 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.966 18.092 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.373 18.140 -0.214 1.00 0.00 H new ATOM 1286 N TYR A 81 3.891 15.095 -0.920 1.00 0.00 N ATOM 1287 CA TYR A 81 4.308 13.865 -1.630 1.00 0.00 C ATOM 1288 C TYR A 81 3.286 13.516 -2.725 1.00 0.00 C ATOM 1289 O TYR A 81 2.231 14.149 -2.826 1.00 0.00 O ATOM 1290 CB TYR A 81 4.432 12.687 -0.631 1.00 0.00 C ATOM 1291 CG TYR A 81 5.325 12.984 0.577 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.713 12.937 0.477 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.777 13.334 1.813 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.519 13.210 1.566 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.579 13.609 2.898 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.950 13.550 2.771 1.00 0.00 C ATOM 1297 OH TYR A 81 7.756 13.820 3.854 1.00 0.00 O ATOM 0 H TYR A 81 3.356 14.915 -0.070 1.00 0.00 H new ATOM 0 HA TYR A 81 5.279 14.040 -2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.437 12.419 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.828 11.818 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.168 12.683 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.704 13.390 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.593 13.156 1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.134 13.870 3.847 1.00 0.00 H new ATOM 0 HH TYR A 81 7.199 14.045 4.628 1.00 0.00 H new ATOM 1307 N THR A 82 3.602 12.491 -3.532 1.00 0.00 N ATOM 1308 CA THR A 82 2.684 11.950 -4.557 1.00 0.00 C ATOM 1309 C THR A 82 2.781 10.402 -4.627 1.00 0.00 C ATOM 1310 O THR A 82 3.236 9.857 -5.640 1.00 0.00 O ATOM 1311 CB THR A 82 2.952 12.574 -5.982 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.368 12.596 -6.245 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.375 13.987 -6.135 1.00 0.00 C ATOM 0 H THR A 82 4.501 12.011 -3.495 1.00 0.00 H new ATOM 0 HA THR A 82 1.674 12.229 -4.256 1.00 0.00 H new ATOM 0 HB THR A 82 2.441 11.941 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.530 12.982 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.591 14.362 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.296 13.958 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.827 14.647 -5.394 1.00 0.00 H new ATOM 1321 N PRO A 83 2.390 9.654 -3.541 1.00 0.00 N ATOM 1322 CA PRO A 83 2.289 8.178 -3.604 1.00 0.00 C ATOM 1323 C PRO A 83 1.023 7.710 -4.359 1.00 0.00 C ATOM 1324 O PRO A 83 -0.033 8.360 -4.298 1.00 0.00 O ATOM 1325 CB PRO A 83 2.237 7.766 -2.111 1.00 0.00 C ATOM 1326 CG PRO A 83 1.575 8.929 -1.438 1.00 0.00 C ATOM 1327 CD PRO A 83 2.070 10.155 -2.170 1.00 0.00 C ATOM 0 HA PRO A 83 3.117 7.726 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.669 6.847 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.235 7.588 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.489 8.850 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.836 8.971 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.311 10.937 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.949 10.581 -1.686 1.00 0.00 H new ATOM 1335 N TYR A 84 1.166 6.595 -5.088 1.00 0.00 N ATOM 1336 CA TYR A 84 0.035 5.838 -5.652 1.00 0.00 C ATOM 1337 C TYR A 84 -0.614 5.022 -4.525 1.00 0.00 C ATOM 1338 O TYR A 84 -0.048 4.914 -3.426 1.00 0.00 O ATOM 1339 CB TYR A 84 0.520 4.891 -6.785 1.00 0.00 C ATOM 1340 CG TYR A 84 1.212 5.608 -7.959 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.579 5.915 -7.917 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.503 5.980 -9.105 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.201 6.561 -8.968 1.00 0.00 C ATOM 1344 CE2 TYR A 84 1.127 6.624 -10.157 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.473 6.913 -10.083 1.00 0.00 C ATOM 1346 OH TYR A 84 3.098 7.553 -11.135 1.00 0.00 O ATOM 0 H TYR A 84 2.076 6.188 -5.306 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.690 6.530 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.211 4.162 -6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.335 4.334 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.157 5.641 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.552 5.760 -9.170 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.255 6.789 -8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.562 6.900 -11.035 1.00 0.00 H new ATOM 0 HH TYR A 84 2.445 7.731 -11.844 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.784 4.436 -4.790 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.485 3.619 -3.794 1.00 0.00 C ATOM 1358 C TYR A 85 -3.298 2.520 -4.478 1.00 0.00 C ATOM 1359 O TYR A 85 -3.915 2.744 -5.527 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.362 4.500 -2.865 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.452 5.340 -3.557 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.149 6.573 -4.142 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.783 4.916 -3.602 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.122 7.339 -4.739 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.759 5.686 -4.198 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.423 6.899 -4.766 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.393 7.678 -5.359 1.00 0.00 O ATOM 0 H TYR A 85 -2.267 4.511 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.743 3.132 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.842 3.852 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.707 5.175 -2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.130 6.931 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.052 3.967 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.863 8.287 -5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.782 5.342 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.260 7.225 -5.296 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.255 1.321 -3.879 1.00 0.00 N ATOM 1378 CA LEU A 86 -3.913 0.124 -4.393 1.00 0.00 C ATOM 1379 C LEU A 86 -5.198 -0.137 -3.607 1.00 0.00 C ATOM 1380 O LEU A 86 -5.168 -0.463 -2.397 1.00 0.00 O ATOM 1381 CB LEU A 86 -2.938 -1.094 -4.325 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.386 -2.444 -5.000 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.359 -3.272 -4.136 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -3.972 -2.199 -6.397 1.00 0.00 C ATOM 0 H LEU A 86 -2.751 1.159 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.183 0.274 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.995 -0.791 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.734 -1.299 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.480 -3.042 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.625 -4.188 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.881 -3.524 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.260 -2.690 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.272 -3.150 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.841 -1.545 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.220 -1.727 -7.029 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.315 0.001 -4.324 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.636 -0.402 -3.863 1.00 0.00 C ATOM 1398 C GLU A 87 -7.899 -1.827 -4.386 1.00 0.00 C ATOM 1399 O GLU A 87 -8.029 -2.046 -5.603 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.707 0.607 -4.354 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.437 2.069 -3.921 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.580 3.042 -4.259 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.981 3.113 -5.442 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -10.087 3.736 -3.347 1.00 0.00 O ATOM 0 H GLU A 87 -6.322 0.405 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.688 -0.405 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.760 0.565 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.682 0.300 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.260 2.092 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.523 2.417 -4.402 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.905 -2.784 -3.459 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.101 -4.198 -3.763 1.00 0.00 C ATOM 1413 C GLY A 88 -7.953 -5.032 -2.502 1.00 0.00 C ATOM 1414 O GLY A 88 -7.267 -4.607 -1.559 1.00 0.00 O ATOM 0 H GLY A 88 -7.772 -2.596 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.090 -4.351 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.375 -4.521 -4.509 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.581 -6.217 -2.479 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.616 -7.069 -1.276 1.00 0.00 C ATOM 1420 C ASN A 89 -7.254 -7.763 -1.063 1.00 0.00 C ATOM 1421 O ASN A 89 -6.782 -8.469 -1.957 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.737 -8.135 -1.387 1.00 0.00 C ATOM 1423 CG ASN A 89 -10.030 -8.881 -0.074 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -9.197 -8.969 0.826 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.213 -9.452 0.030 1.00 0.00 N ATOM 0 H ASN A 89 -9.073 -6.610 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.826 -6.429 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.652 -7.650 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.458 -8.862 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.453 -9.980 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.889 -9.366 -0.729 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.658 -7.580 0.147 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.324 -8.122 0.497 1.00 0.00 C ATOM 1434 C VAL A 90 -5.295 -9.659 0.395 1.00 0.00 C ATOM 1435 O VAL A 90 -4.314 -10.243 -0.063 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.844 -7.654 1.933 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.726 -8.225 3.071 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.351 -7.973 2.179 1.00 0.00 C ATOM 0 H VAL A 90 -7.092 -7.052 0.904 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.624 -7.715 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.960 -6.570 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.352 -7.873 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.755 -7.891 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.692 -9.314 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.066 -7.635 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.191 -9.048 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.742 -7.461 1.434 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.413 -10.284 0.784 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.568 -11.747 0.792 1.00 0.00 C ATOM 1450 C TYR A 91 -6.678 -12.287 -0.646 1.00 0.00 C ATOM 1451 O TYR A 91 -6.277 -13.424 -0.931 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.820 -12.134 1.624 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.816 -11.556 3.055 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.974 -12.069 4.035 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.654 -10.494 3.419 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.971 -11.548 5.315 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.645 -9.974 4.695 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.803 -10.508 5.639 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.792 -9.997 6.909 1.00 0.00 O ATOM 0 H TYR A 91 -7.243 -9.786 1.105 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.688 -12.196 1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.713 -11.787 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.886 -13.221 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.312 -12.887 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.322 -10.073 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.311 -11.962 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.296 -9.151 4.951 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.872 -9.776 7.165 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.197 -11.433 -1.551 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.457 -11.808 -2.953 1.00 0.00 C ATOM 1471 C ASP A 92 -6.232 -11.640 -3.857 1.00 0.00 C ATOM 1472 O ASP A 92 -6.244 -12.149 -4.972 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.687 -11.053 -3.530 1.00 0.00 C ATOM 1474 CG ASP A 92 -10.029 -11.661 -3.072 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.321 -11.645 -1.857 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.784 -12.185 -3.923 1.00 0.00 O ATOM 0 H ASP A 92 -7.446 -10.469 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.689 -12.873 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.643 -10.008 -3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.639 -11.068 -4.619 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.179 -10.946 -3.387 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.906 -10.834 -4.152 1.00 0.00 C ATOM 1483 C PHE A 93 -3.372 -12.237 -4.514 1.00 0.00 C ATOM 1484 O PHE A 93 -3.119 -12.544 -5.684 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.804 -10.074 -3.352 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.129 -8.643 -2.912 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.182 -7.926 -3.460 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.365 -8.017 -1.936 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.461 -6.639 -3.057 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.639 -6.731 -1.534 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.688 -6.041 -2.085 1.00 0.00 C ATOM 0 H PHE A 93 -5.175 -10.457 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.132 -10.268 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.568 -10.657 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.901 -10.044 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.797 -8.387 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.541 -8.550 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.284 -6.099 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.025 -6.262 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.907 -5.035 -1.759 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.270 -13.080 -3.474 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.667 -14.415 -3.556 1.00 0.00 C ATOM 1503 C GLU A 94 -3.432 -15.318 -4.550 1.00 0.00 C ATOM 1504 O GLU A 94 -2.825 -15.899 -5.453 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.608 -15.027 -2.127 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.589 -16.176 -1.929 1.00 0.00 C ATOM 1507 CD GLU A 94 -2.037 -17.526 -2.523 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.960 -18.151 -1.962 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -1.474 -17.974 -3.540 1.00 0.00 O ATOM 0 H GLU A 94 -3.610 -12.848 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.651 -14.336 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.372 -14.231 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.600 -15.398 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.641 -15.888 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.405 -16.304 -0.862 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.765 -15.396 -4.386 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.637 -16.255 -5.230 1.00 0.00 C ATOM 1518 C LYS A 95 -5.757 -15.729 -6.681 1.00 0.00 C ATOM 1519 O LYS A 95 -6.026 -16.511 -7.596 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.037 -16.420 -4.570 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.746 -15.095 -4.245 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.033 -15.262 -3.393 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.214 -15.830 -4.185 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.669 -14.884 -5.235 1.00 0.00 N ATOM 0 H LYS A 95 -5.272 -14.872 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.165 -17.235 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.672 -17.004 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.926 -16.994 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.052 -14.444 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.002 -14.593 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.820 -15.920 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.314 -14.294 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.924 -16.775 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.039 -16.046 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.607 -15.172 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.725 -13.925 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.994 -14.892 -6.026 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.553 -14.405 -6.887 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.481 -13.802 -8.244 1.00 0.00 C ATOM 1540 C TYR A 96 -4.151 -14.189 -8.931 1.00 0.00 C ATOM 1541 O TYR A 96 -4.053 -14.160 -10.159 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.665 -12.250 -8.194 1.00 0.00 C ATOM 1543 CG TYR A 96 -7.129 -11.747 -8.090 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -8.090 -12.418 -7.316 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.543 -10.586 -8.755 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -9.387 -11.951 -7.213 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.844 -10.121 -8.654 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.760 -10.806 -7.881 1.00 0.00 C ATOM 1549 OH TYR A 96 -11.056 -10.337 -7.773 1.00 0.00 O ATOM 0 H TYR A 96 -5.435 -13.732 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.304 -14.201 -8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.107 -11.864 -7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.216 -11.821 -9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.809 -13.318 -6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.833 -10.042 -9.360 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -10.107 -12.484 -6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.141 -9.225 -9.179 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.153 -9.520 -8.305 1.00 0.00 H new ATOM 1559 N GLY A 97 -3.131 -14.538 -8.120 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.864 -15.102 -8.626 1.00 0.00 C ATOM 1561 C GLY A 97 -0.639 -14.316 -8.192 1.00 0.00 C ATOM 1562 O GLY A 97 0.483 -14.643 -8.598 1.00 0.00 O ATOM 0 H GLY A 97 -3.162 -14.438 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.768 -16.131 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.899 -15.135 -9.715 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.846 -13.266 -7.382 1.00 0.00 N ATOM 1567 CA PHE A 98 0.235 -12.405 -6.880 1.00 0.00 C ATOM 1568 C PHE A 98 0.914 -13.064 -5.667 1.00 0.00 C ATOM 1569 O PHE A 98 0.230 -13.507 -4.741 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.313 -11.004 -6.516 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.930 -10.262 -7.706 1.00 0.00 C ATOM 1572 CD1 PHE A 98 -0.137 -9.481 -8.547 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -2.295 -10.351 -7.987 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.685 -8.808 -9.620 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.842 -9.680 -9.064 1.00 0.00 C ATOM 1576 CZ PHE A 98 -2.038 -8.908 -9.878 1.00 0.00 C ATOM 0 H PHE A 98 -1.772 -12.990 -7.056 1.00 0.00 H new ATOM 0 HA PHE A 98 0.981 -12.280 -7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.065 -11.108 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.496 -10.402 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.923 -9.402 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.931 -10.952 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.056 -8.204 -10.257 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.899 -9.760 -9.269 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.467 -8.382 -10.718 1.00 0.00 H new ATOM 1586 N ARG A 99 2.258 -13.150 -5.717 1.00 0.00 N ATOM 1587 CA ARG A 99 3.102 -13.693 -4.629 1.00 0.00 C ATOM 1588 C ARG A 99 2.903 -12.888 -3.335 1.00 0.00 C ATOM 1589 O ARG A 99 2.931 -11.652 -3.350 1.00 0.00 O ATOM 1590 CB ARG A 99 4.593 -13.682 -5.091 1.00 0.00 C ATOM 1591 CG ARG A 99 5.685 -13.765 -3.989 1.00 0.00 C ATOM 1592 CD ARG A 99 5.698 -15.066 -3.169 1.00 0.00 C ATOM 1593 NE ARG A 99 6.887 -15.120 -2.291 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.931 -15.627 -1.049 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.851 -16.140 -0.467 1.00 0.00 N ATOM 1596 NH2 ARG A 99 8.074 -15.604 -0.384 1.00 0.00 N ATOM 0 H ARG A 99 2.798 -12.840 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 99 2.810 -14.720 -4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.740 -14.519 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.761 -12.770 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.661 -13.642 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.552 -12.926 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.792 -15.131 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.696 -15.925 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 99 7.755 -14.736 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.961 -16.155 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.912 -16.519 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.907 -15.205 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.122 -15.986 0.561 1.00 0.00 H new ATOM 1610 N MET A 100 2.682 -13.620 -2.228 1.00 0.00 N ATOM 1611 CA MET A 100 2.458 -13.050 -0.885 1.00 0.00 C ATOM 1612 C MET A 100 3.191 -13.881 0.182 1.00 0.00 C ATOM 1613 O MET A 100 3.292 -15.108 0.068 1.00 0.00 O ATOM 1614 CB MET A 100 0.943 -12.990 -0.523 1.00 0.00 C ATOM 1615 CG MET A 100 0.050 -12.250 -1.530 1.00 0.00 C ATOM 1616 SD MET A 100 -1.579 -11.878 -0.859 1.00 0.00 S ATOM 1617 CE MET A 100 -1.170 -10.598 0.317 1.00 0.00 C ATOM 0 H MET A 100 2.653 -14.640 -2.241 1.00 0.00 H new ATOM 0 HA MET A 100 2.851 -12.034 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.572 -14.010 -0.416 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.839 -12.510 0.450 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.537 -11.322 -1.830 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.060 -12.857 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.068 -10.033 0.567 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.763 -11.051 1.221 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.429 -9.927 -0.118 1.00 0.00 H new ATOM 1627 N VAL A 101 3.689 -13.191 1.222 1.00 0.00 N ATOM 1628 CA VAL A 101 4.370 -13.801 2.377 1.00 0.00 C ATOM 1629 C VAL A 101 3.392 -13.921 3.566 1.00 0.00 C ATOM 1630 O VAL A 101 2.868 -12.909 4.064 1.00 0.00 O ATOM 1631 CB VAL A 101 5.633 -12.958 2.792 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.369 -13.550 4.022 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.588 -12.818 1.592 1.00 0.00 C ATOM 0 H VAL A 101 3.628 -12.175 1.285 1.00 0.00 H new ATOM 0 HA VAL A 101 4.705 -14.798 2.092 1.00 0.00 H new ATOM 0 HB VAL A 101 5.283 -11.970 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.231 -12.929 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.690 -13.576 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.703 -14.562 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.460 -12.233 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.908 -13.807 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.073 -12.314 0.774 1.00 0.00 H new ATOM 1643 N TYR A 102 3.136 -15.172 3.969 1.00 0.00 N ATOM 1644 CA TYR A 102 2.315 -15.527 5.147 1.00 0.00 C ATOM 1645 C TYR A 102 3.237 -15.874 6.334 1.00 0.00 C ATOM 1646 O TYR A 102 4.463 -15.951 6.168 1.00 0.00 O ATOM 1647 CB TYR A 102 1.409 -16.753 4.812 1.00 0.00 C ATOM 1648 CG TYR A 102 0.238 -16.476 3.847 1.00 0.00 C ATOM 1649 CD1 TYR A 102 0.441 -15.919 2.579 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.083 -16.764 4.218 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -0.617 -15.662 1.726 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.141 -16.509 3.367 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.903 -15.958 2.126 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.962 -15.695 1.283 1.00 0.00 O ATOM 0 H TYR A 102 3.500 -15.989 3.478 1.00 0.00 H new ATOM 0 HA TYR A 102 1.685 -14.678 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.033 -17.536 4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.002 -17.146 5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.446 -15.685 2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.278 -17.194 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.437 -15.232 0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.151 -16.740 3.673 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.799 -15.963 1.716 1.00 0.00 H new