USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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: B 1 PHE N :NH3+ -175:sc= 0.751 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.654 K(o=1.4,f=-0.57) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.519 K(o=1.2,f=-1.3) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.67 K(o=1.2,f=-0.54) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0.206 USER MOD Set 3.2: B 3 ASN : amide:sc= 0.59 X(o=0.8,f=0.43) USER MOD Set 4.1: A 8 THR OG1 : rot -73:sc= 0.0904 USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.871 K(o=0.87,f=-0.27) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : B 9 SER OG : rot 92:sc= 1.92 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 60:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.104) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -9.778 -21.661 4.562 1.00 0.00 N ATOM 11 CA ILE A 2 -8.811 -20.911 3.723 1.00 0.00 C ATOM 12 C ILE A 2 -8.350 -19.584 4.343 1.00 0.00 C ATOM 13 O ILE A 2 -7.156 -19.295 4.361 1.00 0.00 O ATOM 14 CB ILE A 2 -9.377 -20.741 2.290 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.309 -20.417 1.219 1.00 0.00 C ATOM 16 CG2 ILE A 2 -10.581 -19.787 2.186 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.733 -18.994 1.135 1.00 0.00 C ATOM 0 HA ILE A 2 -7.900 -21.507 3.666 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.756 -21.737 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.473 -21.100 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.739 -20.654 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.911 -19.729 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.396 -20.161 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.290 -18.795 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.999 -18.945 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.538 -18.287 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.253 -18.740 2.080 1.00 0.00 H new ATOM 29 N VAL A 3 -9.257 -18.802 4.936 1.00 0.00 N ATOM 30 CA VAL A 3 -8.913 -17.467 5.459 1.00 0.00 C ATOM 31 C VAL A 3 -7.953 -17.526 6.668 1.00 0.00 C ATOM 32 O VAL A 3 -7.248 -16.555 6.924 1.00 0.00 O ATOM 33 CB VAL A 3 -10.168 -16.605 5.727 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.811 -15.120 5.804 1.00 0.00 C ATOM 35 CG2 VAL A 3 -11.260 -16.758 4.657 1.00 0.00 C ATOM 0 H VAL A 3 -10.234 -19.065 5.068 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.357 -16.960 4.670 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.556 -16.969 6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.713 -14.538 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.099 -14.959 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.366 -14.803 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.110 -16.124 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.863 -16.461 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.583 -17.798 4.613 1.00 0.00 H new ATOM 45 N GLU A 4 -7.816 -18.667 7.364 1.00 0.00 N ATOM 46 CA GLU A 4 -6.754 -18.855 8.377 1.00 0.00 C ATOM 47 C GLU A 4 -5.348 -18.823 7.751 1.00 0.00 C ATOM 48 O GLU A 4 -4.445 -18.220 8.331 1.00 0.00 O ATOM 49 CB GLU A 4 -6.947 -20.162 9.176 1.00 0.00 C ATOM 50 CG GLU A 4 -7.880 -19.993 10.394 1.00 0.00 C ATOM 51 CD GLU A 4 -8.948 -21.091 10.597 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.832 -20.891 11.465 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.942 -22.149 9.926 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.426 -19.476 7.246 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.839 -18.015 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.355 -20.928 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.975 -20.520 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.264 -19.945 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.389 -19.033 10.304 1.00 0.00 H new ATOM 60 N GLN A 5 -5.167 -19.384 6.547 1.00 0.00 N ATOM 61 CA GLN A 5 -3.901 -19.313 5.802 1.00 0.00 C ATOM 62 C GLN A 5 -3.555 -17.862 5.430 1.00 0.00 C ATOM 63 O GLN A 5 -2.405 -17.452 5.566 1.00 0.00 O ATOM 64 CB GLN A 5 -3.988 -20.220 4.557 1.00 0.00 C ATOM 65 CG GLN A 5 -2.730 -20.230 3.673 1.00 0.00 C ATOM 66 CD GLN A 5 -1.494 -20.852 4.325 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.558 -21.686 5.220 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.313 -20.495 3.871 1.00 0.00 N ATOM 0 H GLN A 5 -5.898 -19.902 6.060 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.091 -19.673 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.194 -21.240 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.837 -19.901 3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.952 -20.774 2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.496 -19.205 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.241 -19.802 3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.531 -20.911 4.264 1.00 0.00 H new ATOM 77 N CYS A 6 -4.550 -17.065 5.023 1.00 0.00 N ATOM 78 CA CYS A 6 -4.406 -15.619 4.812 1.00 0.00 C ATOM 79 C CYS A 6 -4.095 -14.862 6.119 1.00 0.00 C ATOM 80 O CYS A 6 -3.265 -13.956 6.116 1.00 0.00 O ATOM 81 CB CYS A 6 -5.685 -15.083 4.150 1.00 0.00 C ATOM 82 SG CYS A 6 -5.662 -14.938 2.338 1.00 0.00 S ATOM 0 H CYS A 6 -5.490 -17.410 4.828 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.553 -15.449 4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.513 -15.735 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.899 -14.099 4.568 1.00 0.00 H new ATOM 87 N CYS A 7 -4.705 -15.239 7.248 1.00 0.00 N ATOM 88 CA CYS A 7 -4.426 -14.640 8.558 1.00 0.00 C ATOM 89 C CYS A 7 -2.949 -14.820 8.984 1.00 0.00 C ATOM 90 O CYS A 7 -2.354 -13.886 9.527 1.00 0.00 O ATOM 91 CB CYS A 7 -5.365 -15.261 9.609 1.00 0.00 C ATOM 92 SG CYS A 7 -6.505 -14.129 10.455 1.00 0.00 S ATOM 0 H CYS A 7 -5.412 -15.974 7.279 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.605 -13.567 8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.955 -16.037 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.752 -15.754 10.364 1.00 0.00 H new ATOM 97 N THR A 8 -2.350 -15.996 8.752 1.00 0.00 N ATOM 98 CA THR A 8 -0.996 -16.341 9.237 1.00 0.00 C ATOM 99 C THR A 8 0.139 -16.102 8.230 1.00 0.00 C ATOM 100 O THR A 8 1.236 -15.712 8.640 1.00 0.00 O ATOM 101 CB THR A 8 -0.937 -17.808 9.698 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.289 -18.687 8.649 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.868 -18.085 10.882 1.00 0.00 C ATOM 0 H THR A 8 -2.791 -16.745 8.218 1.00 0.00 H new ATOM 0 HA THR A 8 -0.828 -15.655 10.068 1.00 0.00 H new ATOM 0 HB THR A 8 0.094 -17.981 10.007 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.256 -18.642 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.789 -19.134 11.169 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.582 -17.456 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.896 -17.863 10.596 1.00 0.00 H new ATOM 111 N SER A 9 -0.095 -16.321 6.931 1.00 0.00 N ATOM 112 CA SER A 9 0.955 -16.585 5.928 1.00 0.00 C ATOM 113 C SER A 9 0.577 -16.103 4.513 1.00 0.00 C ATOM 114 O SER A 9 -0.468 -15.481 4.303 1.00 0.00 O ATOM 115 CB SER A 9 1.230 -18.103 5.908 1.00 0.00 C ATOM 116 OG SER A 9 1.837 -18.536 7.116 1.00 0.00 O ATOM 0 H SER A 9 -1.035 -16.321 6.535 1.00 0.00 H new ATOM 0 HA SER A 9 1.844 -16.023 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.295 -18.642 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.878 -18.346 5.066 1.00 0.00 H new ATOM 0 HG SER A 9 1.997 -19.502 7.074 1.00 0.00 H new ATOM 122 N ILE A 10 1.433 -16.381 3.518 1.00 0.00 N ATOM 123 CA ILE A 10 1.097 -16.208 2.094 1.00 0.00 C ATOM 124 C ILE A 10 -0.103 -17.080 1.678 1.00 0.00 C ATOM 125 O ILE A 10 -0.356 -18.146 2.242 1.00 0.00 O ATOM 126 CB ILE A 10 2.326 -16.382 1.165 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.256 -17.588 1.438 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.175 -15.102 1.232 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.602 -18.966 1.298 1.00 0.00 C ATOM 0 H ILE A 10 2.378 -16.732 3.676 1.00 0.00 H new ATOM 0 HA ILE A 10 0.782 -15.172 1.967 1.00 0.00 H new ATOM 0 HB ILE A 10 1.894 -16.580 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.102 -17.535 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.656 -17.495 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.045 -15.208 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.578 -14.252 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.505 -14.938 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.338 -19.741 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.774 -19.049 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.227 -19.089 0.282 1.00 0.00 H new ATOM 141 N CYS A 11 -0.891 -16.581 0.726 1.00 0.00 N ATOM 142 CA CYS A 11 -2.268 -17.018 0.475 1.00 0.00 C ATOM 143 C CYS A 11 -2.683 -16.629 -0.957 1.00 0.00 C ATOM 144 O CYS A 11 -2.565 -15.458 -1.332 1.00 0.00 O ATOM 145 CB CYS A 11 -3.132 -16.337 1.548 1.00 0.00 C ATOM 146 SG CYS A 11 -4.910 -16.675 1.564 1.00 0.00 S ATOM 0 H CYS A 11 -0.584 -15.844 0.092 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.385 -18.100 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.732 -16.617 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.000 -15.260 1.446 1.00 0.00 H new ATOM 151 N SER A 12 -3.114 -17.601 -1.767 1.00 0.00 N ATOM 152 CA SER A 12 -3.172 -17.494 -3.240 1.00 0.00 C ATOM 153 C SER A 12 -4.431 -18.143 -3.828 1.00 0.00 C ATOM 154 O SER A 12 -5.103 -18.930 -3.160 1.00 0.00 O ATOM 155 CB SER A 12 -1.923 -18.144 -3.861 1.00 0.00 C ATOM 156 OG SER A 12 -0.725 -17.552 -3.382 1.00 0.00 O ATOM 0 H SER A 12 -3.439 -18.502 -1.418 1.00 0.00 H new ATOM 0 HA SER A 12 -3.207 -16.432 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.917 -19.210 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.966 -18.050 -4.946 1.00 0.00 H new ATOM 0 HG SER A 12 0.046 -17.992 -3.797 1.00 0.00 H new ATOM 162 N LEU A 13 -4.754 -17.858 -5.098 1.00 0.00 N ATOM 163 CA LEU A 13 -5.977 -18.356 -5.753 1.00 0.00 C ATOM 164 C LEU A 13 -6.029 -19.894 -5.835 1.00 0.00 C ATOM 165 O LEU A 13 -7.111 -20.475 -5.785 1.00 0.00 O ATOM 166 CB LEU A 13 -6.141 -17.732 -7.156 1.00 0.00 C ATOM 167 CG LEU A 13 -6.517 -16.234 -7.170 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.294 -15.310 -7.128 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.299 -15.894 -8.439 1.00 0.00 C ATOM 0 H LEU A 13 -4.175 -17.275 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.813 -18.046 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.208 -17.861 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.908 -18.288 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.115 -16.070 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.623 -14.271 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.725 -15.500 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.663 -15.501 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.557 -14.835 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.687 -16.115 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.211 -16.489 -8.475 1.00 0.00 H new ATOM 181 N TYR A 14 -4.876 -20.570 -5.871 1.00 0.00 N ATOM 182 CA TYR A 14 -4.803 -22.035 -5.811 1.00 0.00 C ATOM 183 C TYR A 14 -5.294 -22.611 -4.463 1.00 0.00 C ATOM 184 O TYR A 14 -5.804 -23.730 -4.418 1.00 0.00 O ATOM 185 CB TYR A 14 -3.366 -22.473 -6.129 1.00 0.00 C ATOM 186 CG TYR A 14 -3.235 -23.949 -6.459 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.714 -24.854 -5.513 1.00 0.00 C ATOM 188 CD2 TYR A 14 -3.640 -24.414 -7.727 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.598 -26.222 -5.834 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.527 -25.779 -8.050 1.00 0.00 C ATOM 191 CZ TYR A 14 -3.004 -26.688 -7.104 1.00 0.00 C ATOM 192 OH TYR A 14 -2.894 -28.007 -7.427 1.00 0.00 O ATOM 0 H TYR A 14 -3.965 -20.117 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.484 -22.442 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.995 -21.888 -6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.728 -22.243 -5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.403 -24.500 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.038 -23.720 -8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.198 -26.914 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.840 -26.132 -9.022 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.221 -28.149 -8.340 1.00 0.00 H new ATOM 202 N GLN A 15 -5.212 -21.839 -3.368 1.00 0.00 N ATOM 203 CA GLN A 15 -5.827 -22.194 -2.081 1.00 0.00 C ATOM 204 C GLN A 15 -7.335 -21.895 -2.037 1.00 0.00 C ATOM 205 O GLN A 15 -8.062 -22.610 -1.351 1.00 0.00 O ATOM 206 CB GLN A 15 -5.092 -21.517 -0.910 1.00 0.00 C ATOM 207 CG GLN A 15 -3.657 -22.034 -0.701 1.00 0.00 C ATOM 208 CD GLN A 15 -3.563 -23.482 -0.202 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.541 -24.184 0.031 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.366 -23.992 -0.009 1.00 0.00 N ATOM 0 H GLN A 15 -4.715 -20.948 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.723 -23.274 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.060 -20.442 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.663 -21.674 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.115 -21.953 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.152 -21.384 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.536 -23.429 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.268 -24.950 0.327 1.00 0.00 H new ATOM 219 N LEU A 16 -7.844 -20.923 -2.808 1.00 0.00 N ATOM 220 CA LEU A 16 -9.295 -20.785 -3.027 1.00 0.00 C ATOM 221 C LEU A 16 -9.837 -22.007 -3.791 1.00 0.00 C ATOM 222 O LEU A 16 -10.803 -22.628 -3.354 1.00 0.00 O ATOM 223 CB LEU A 16 -9.642 -19.469 -3.756 1.00 0.00 C ATOM 224 CG LEU A 16 -9.153 -18.172 -3.083 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.533 -16.972 -3.952 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.766 -17.953 -1.700 1.00 0.00 C ATOM 0 H LEU A 16 -7.278 -20.224 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.780 -20.743 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.223 -19.513 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.725 -19.412 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.073 -18.268 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.187 -16.054 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.067 -17.070 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.616 -16.935 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.384 -17.024 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.851 -17.893 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.501 -18.786 -1.048 1.00 0.00 H new ATOM 238 N GLU A 17 -9.160 -22.423 -4.866 1.00 0.00 N ATOM 239 CA GLU A 17 -9.455 -23.645 -5.643 1.00 0.00 C ATOM 240 C GLU A 17 -9.360 -24.952 -4.821 1.00 0.00 C ATOM 241 O GLU A 17 -9.925 -25.975 -5.213 1.00 0.00 O ATOM 242 CB GLU A 17 -8.490 -23.726 -6.841 1.00 0.00 C ATOM 243 CG GLU A 17 -8.777 -22.704 -7.954 1.00 0.00 C ATOM 244 CD GLU A 17 -9.976 -23.073 -8.854 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.653 -22.157 -9.374 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.244 -24.273 -9.100 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.363 -21.905 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.492 -23.563 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.471 -23.579 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.538 -24.729 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.963 -21.731 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.888 -22.601 -8.576 1.00 0.00 H new ATOM 253 N ASN A 18 -8.686 -24.938 -3.664 1.00 0.00 N ATOM 254 CA ASN A 18 -8.609 -26.074 -2.735 1.00 0.00 C ATOM 255 C ASN A 18 -9.963 -26.369 -2.038 1.00 0.00 C ATOM 256 O ASN A 18 -10.177 -27.479 -1.547 1.00 0.00 O ATOM 257 CB ASN A 18 -7.479 -25.775 -1.728 1.00 0.00 C ATOM 258 CG ASN A 18 -6.878 -26.988 -1.033 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.217 -28.139 -1.269 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.915 -26.762 -0.168 1.00 0.00 N ATOM 0 H ASN A 18 -8.168 -24.121 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.382 -26.986 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.682 -25.246 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.865 -25.097 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.457 -27.543 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.626 -25.805 0.035 1.00 0.00 H new ATOM 267 N TYR A 19 -10.893 -25.400 -2.027 1.00 0.00 N ATOM 268 CA TYR A 19 -12.223 -25.507 -1.398 1.00 0.00 C ATOM 269 C TYR A 19 -13.373 -25.156 -2.356 1.00 0.00 C ATOM 270 O TYR A 19 -14.411 -25.823 -2.349 1.00 0.00 O ATOM 271 CB TYR A 19 -12.243 -24.638 -0.134 1.00 0.00 C ATOM 272 CG TYR A 19 -11.151 -25.004 0.856 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.248 -26.193 1.606 1.00 0.00 C ATOM 274 CD2 TYR A 19 -10.000 -24.202 0.962 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.196 -26.574 2.462 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.956 -24.568 1.833 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.051 -25.756 2.586 1.00 0.00 C ATOM 278 OH TYR A 19 -8.034 -26.111 3.419 1.00 0.00 O ATOM 0 H TYR A 19 -10.737 -24.494 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.392 -26.549 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.132 -23.591 -0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.214 -24.736 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.129 -26.812 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.917 -23.301 0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.265 -27.493 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.083 -23.939 1.924 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.327 -25.434 3.379 1.00 0.00 H new ATOM 288 N CYS A 20 -13.167 -24.179 -3.243 1.00 0.00 N ATOM 289 CA CYS A 20 -13.898 -24.008 -4.499 1.00 0.00 C ATOM 290 C CYS A 20 -13.439 -25.088 -5.508 1.00 0.00 C ATOM 291 O CYS A 20 -12.714 -24.801 -6.460 1.00 0.00 O ATOM 292 CB CYS A 20 -13.663 -22.569 -4.992 1.00 0.00 C ATOM 293 SG CYS A 20 -14.479 -22.116 -6.546 1.00 0.00 S ATOM 0 H CYS A 20 -12.459 -23.459 -3.100 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.972 -24.144 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.998 -21.881 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.590 -22.418 -5.111 1.00 0.00 H new ATOM 298 N GLY A 21 -13.786 -26.355 -5.232 1.00 0.00 N ATOM 299 CA GLY A 21 -13.330 -27.548 -5.969 1.00 0.00 C ATOM 300 C GLY A 21 -14.098 -27.803 -7.264 1.00 0.00 C ATOM 301 O GLY A 21 -13.545 -27.524 -8.351 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.245 -28.295 -7.178 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.414 -26.587 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.271 -27.437 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.425 -28.421 -5.323 1.00 0.00 H new ATOM 307 N PHE B 1 -6.962 -9.159 -2.419 1.00 0.00 N ATOM 308 CA PHE B 1 -6.816 -10.568 -1.963 1.00 0.00 C ATOM 309 C PHE B 1 -5.357 -11.040 -1.888 1.00 0.00 C ATOM 310 O PHE B 1 -4.866 -11.293 -0.790 1.00 0.00 O ATOM 311 CB PHE B 1 -7.683 -11.550 -2.783 1.00 0.00 C ATOM 312 CG PHE B 1 -7.316 -13.016 -2.591 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.871 -13.787 -3.684 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.339 -13.592 -1.305 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.452 -15.114 -3.486 1.00 0.00 C ATOM 316 CE2 PHE B 1 -6.935 -14.926 -1.118 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.487 -15.687 -2.206 1.00 0.00 C ATOM 0 H1 PHE B 1 -7.962 -8.879 -2.366 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.395 -8.536 -1.809 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.631 -9.076 -3.401 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.194 -10.573 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.729 -11.410 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.594 -11.300 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.852 -13.358 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -7.668 -13.006 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.101 -15.696 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -6.970 -15.366 -0.132 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.170 -16.709 -2.060 1.00 0.00 H new ATOM 329 N VAL B 2 -4.675 -11.244 -3.025 1.00 0.00 N ATOM 330 CA VAL B 2 -3.499 -12.138 -3.100 1.00 0.00 C ATOM 331 C VAL B 2 -2.334 -11.733 -2.179 1.00 0.00 C ATOM 332 O VAL B 2 -1.879 -10.588 -2.171 1.00 0.00 O ATOM 333 CB VAL B 2 -3.066 -12.347 -4.568 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.536 -11.080 -5.252 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.008 -13.446 -4.702 1.00 0.00 C ATOM 0 H VAL B 2 -4.916 -10.802 -3.912 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.818 -13.102 -2.703 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.985 -12.643 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.254 -11.312 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.313 -10.315 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.665 -10.712 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.732 -13.560 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.126 -13.174 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.412 -14.387 -4.329 1.00 0.00 H new ATOM 345 N ASN B 3 -1.849 -12.703 -1.396 1.00 0.00 N ATOM 346 CA ASN B 3 -0.656 -12.644 -0.533 1.00 0.00 C ATOM 347 C ASN B 3 -0.654 -11.534 0.554 1.00 0.00 C ATOM 348 O ASN B 3 0.392 -11.278 1.155 1.00 0.00 O ATOM 349 CB ASN B 3 0.634 -12.673 -1.396 1.00 0.00 C ATOM 350 CG ASN B 3 0.968 -13.977 -2.120 1.00 0.00 C ATOM 351 OD1 ASN B 3 2.082 -14.164 -2.586 1.00 0.00 O ATOM 352 ND2 ASN B 3 0.075 -14.935 -2.224 1.00 0.00 N ATOM 0 H ASN B 3 -2.308 -13.612 -1.342 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.687 -13.548 0.076 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.557 -11.883 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.476 -12.421 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN B 3 0.318 -15.811 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.862 -14.803 -1.843 1.00 0.00 H new ATOM 359 N GLN B 4 -1.800 -10.906 0.853 1.00 0.00 N ATOM 360 CA GLN B 4 -1.955 -9.953 1.967 1.00 0.00 C ATOM 361 C GLN B 4 -2.784 -10.550 3.120 1.00 0.00 C ATOM 362 O GLN B 4 -3.621 -11.431 2.913 1.00 0.00 O ATOM 363 CB GLN B 4 -2.506 -8.609 1.455 1.00 0.00 C ATOM 364 CG GLN B 4 -3.987 -8.640 1.017 1.00 0.00 C ATOM 365 CD GLN B 4 -4.279 -8.079 -0.378 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.319 -7.481 -0.618 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.445 -8.269 -1.379 1.00 0.00 N ATOM 0 H GLN B 4 -2.659 -11.046 0.321 1.00 0.00 H new ATOM 0 HA GLN B 4 -0.971 -9.752 2.390 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -2.390 -7.862 2.240 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -1.899 -8.281 0.611 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.336 -9.672 1.054 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.574 -8.079 1.744 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.566 -8.763 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.678 -7.922 -2.310 1.00 0.00 H new ATOM 376 N HIS B 5 -2.566 -10.061 4.344 1.00 0.00 N ATOM 377 CA HIS B 5 -3.107 -10.651 5.582 1.00 0.00 C ATOM 378 C HIS B 5 -4.550 -10.237 5.938 1.00 0.00 C ATOM 379 O HIS B 5 -4.949 -10.295 7.104 1.00 0.00 O ATOM 380 CB HIS B 5 -2.111 -10.450 6.738 1.00 0.00 C ATOM 381 CG HIS B 5 -0.736 -11.009 6.452 1.00 0.00 C ATOM 382 ND1 HIS B 5 0.276 -10.365 5.732 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.298 -12.251 6.811 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.303 -11.233 5.683 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.986 -12.371 6.326 1.00 0.00 N ATOM 0 H HIS B 5 -1.999 -9.229 4.510 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.212 -11.719 5.392 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.024 -9.385 6.952 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.508 -10.924 7.636 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.850 -12.994 7.367 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.248 -11.043 5.196 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.592 -13.184 6.436 1.00 0.00 H new ATOM 393 N LEU B 6 -5.350 -9.821 4.949 1.00 0.00 N ATOM 394 CA LEU B 6 -6.779 -9.523 5.113 1.00 0.00 C ATOM 395 C LEU B 6 -7.535 -10.804 5.518 1.00 0.00 C ATOM 396 O LEU B 6 -7.408 -11.840 4.861 1.00 0.00 O ATOM 397 CB LEU B 6 -7.295 -8.875 3.808 1.00 0.00 C ATOM 398 CG LEU B 6 -8.710 -8.255 3.803 1.00 0.00 C ATOM 399 CD1 LEU B 6 -9.851 -9.273 3.834 1.00 0.00 C ATOM 400 CD2 LEU B 6 -8.912 -7.249 4.938 1.00 0.00 C ATOM 0 H LEU B 6 -5.017 -9.679 3.995 1.00 0.00 H new ATOM 0 HA LEU B 6 -6.952 -8.809 5.918 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -6.590 -8.094 3.524 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.262 -9.633 3.026 1.00 0.00 H new ATOM 0 HG LEU B 6 -8.758 -7.741 2.843 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -10.807 -8.749 3.828 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -9.786 -9.919 2.958 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -9.774 -9.878 4.738 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -9.922 -6.843 4.889 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.768 -7.748 5.896 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.190 -6.438 4.838 1.00 0.00 H new ATOM 412 N CYS B 7 -8.288 -10.746 6.622 1.00 0.00 N ATOM 413 CA CYS B 7 -8.840 -11.922 7.302 1.00 0.00 C ATOM 414 C CYS B 7 -10.238 -11.661 7.917 1.00 0.00 C ATOM 415 O CYS B 7 -10.641 -10.509 8.102 1.00 0.00 O ATOM 416 CB CYS B 7 -7.785 -12.386 8.324 1.00 0.00 C ATOM 417 SG CYS B 7 -8.110 -13.933 9.212 1.00 0.00 S ATOM 0 H CYS B 7 -8.535 -9.866 7.075 1.00 0.00 H new ATOM 0 HA CYS B 7 -9.030 -12.723 6.588 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.833 -12.490 7.803 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.659 -11.594 9.062 1.00 0.00 H new ATOM 422 N GLY B 8 -10.982 -12.733 8.223 1.00 0.00 N ATOM 423 CA GLY B 8 -12.389 -12.708 8.668 1.00 0.00 C ATOM 424 C GLY B 8 -13.397 -12.988 7.541 1.00 0.00 C ATOM 425 O GLY B 8 -13.012 -13.166 6.381 1.00 0.00 O ATOM 0 H GLY B 8 -10.609 -13.680 8.166 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.525 -13.447 9.457 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.606 -11.733 9.104 1.00 0.00 H new ATOM 429 N SER B 9 -14.696 -13.033 7.867 1.00 0.00 N ATOM 430 CA SER B 9 -15.756 -13.466 6.929 1.00 0.00 C ATOM 431 C SER B 9 -15.894 -12.629 5.654 1.00 0.00 C ATOM 432 O SER B 9 -16.463 -13.117 4.680 1.00 0.00 O ATOM 433 CB SER B 9 -17.128 -13.546 7.608 1.00 0.00 C ATOM 434 OG SER B 9 -17.674 -12.260 7.869 1.00 0.00 O ATOM 0 H SER B 9 -15.048 -12.771 8.788 1.00 0.00 H new ATOM 0 HA SER B 9 -15.418 -14.456 6.622 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.813 -14.108 6.973 1.00 0.00 H new ATOM 0 HB3 SER B 9 -17.037 -14.097 8.544 1.00 0.00 H new ATOM 0 HG SER B 9 -18.230 -11.981 7.112 1.00 0.00 H new ATOM 440 N HIS B 10 -15.330 -11.419 5.581 1.00 0.00 N ATOM 441 CA HIS B 10 -15.288 -10.656 4.325 1.00 0.00 C ATOM 442 C HIS B 10 -14.530 -11.387 3.207 1.00 0.00 C ATOM 443 O HIS B 10 -14.907 -11.231 2.049 1.00 0.00 O ATOM 444 CB HIS B 10 -14.754 -9.237 4.572 1.00 0.00 C ATOM 445 CG HIS B 10 -15.869 -8.269 4.896 1.00 0.00 C ATOM 446 ND1 HIS B 10 -16.299 -7.229 4.064 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.715 -8.352 5.965 1.00 0.00 C ATOM 448 CE1 HIS B 10 -17.387 -6.706 4.656 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.657 -7.360 5.798 1.00 0.00 N ATOM 0 H HIS B 10 -14.897 -10.946 6.374 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.312 -10.566 3.963 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -14.038 -9.255 5.394 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.217 -8.891 3.689 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -16.657 -9.057 6.781 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -17.962 -5.878 4.269 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.428 -7.157 6.434 1.00 0.00 H new ATOM 457 N LEU B 11 -13.556 -12.256 3.518 1.00 0.00 N ATOM 458 CA LEU B 11 -12.927 -13.156 2.535 1.00 0.00 C ATOM 459 C LEU B 11 -13.605 -14.546 2.427 1.00 0.00 C ATOM 460 O LEU B 11 -13.111 -15.429 1.732 1.00 0.00 O ATOM 461 CB LEU B 11 -11.408 -13.235 2.779 1.00 0.00 C ATOM 462 CG LEU B 11 -10.634 -13.550 1.480 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.337 -12.277 0.684 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.325 -14.270 1.785 1.00 0.00 C ATOM 0 H LEU B 11 -13.180 -12.356 4.461 1.00 0.00 H new ATOM 0 HA LEU B 11 -13.086 -12.717 1.550 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -11.056 -12.289 3.191 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.199 -14.004 3.522 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.270 -14.200 0.879 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.792 -12.535 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.274 -11.787 0.418 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.734 -11.601 1.290 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.800 -14.480 0.853 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.702 -13.639 2.419 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.537 -15.206 2.301 1.00 0.00 H new ATOM 476 N VAL B 12 -14.757 -14.746 3.071 1.00 0.00 N ATOM 477 CA VAL B 12 -15.735 -15.793 2.709 1.00 0.00 C ATOM 478 C VAL B 12 -16.781 -15.196 1.761 1.00 0.00 C ATOM 479 O VAL B 12 -17.028 -15.719 0.677 1.00 0.00 O ATOM 480 CB VAL B 12 -16.396 -16.407 3.962 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.447 -17.462 3.600 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.347 -17.065 4.863 1.00 0.00 C ATOM 0 H VAL B 12 -15.047 -14.182 3.870 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.215 -16.605 2.201 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.884 -15.585 4.486 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.886 -17.867 4.512 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.229 -17.004 2.994 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.975 -18.267 3.036 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.836 -17.491 5.739 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.838 -17.855 4.312 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.620 -16.318 5.180 1.00 0.00 H new ATOM 492 N GLU B 13 -17.333 -14.040 2.129 1.00 0.00 N ATOM 493 CA GLU B 13 -18.337 -13.292 1.364 1.00 0.00 C ATOM 494 C GLU B 13 -17.802 -12.839 -0.008 1.00 0.00 C ATOM 495 O GLU B 13 -18.484 -13.012 -1.020 1.00 0.00 O ATOM 496 CB GLU B 13 -18.809 -12.090 2.204 1.00 0.00 C ATOM 497 CG GLU B 13 -19.543 -12.507 3.494 1.00 0.00 C ATOM 498 CD GLU B 13 -19.620 -11.358 4.521 1.00 0.00 C ATOM 499 OE1 GLU B 13 -20.112 -10.257 4.170 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.221 -11.561 5.696 1.00 0.00 O1- ATOM 0 H GLU B 13 -17.084 -13.578 3.004 1.00 0.00 H new ATOM 0 HA GLU B 13 -19.182 -13.950 1.159 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.947 -11.476 2.465 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.471 -11.470 1.600 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.552 -12.837 3.245 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.030 -13.358 3.942 1.00 0.00 H new ATOM 507 N ALA B 14 -16.564 -12.331 -0.074 1.00 0.00 N ATOM 508 CA ALA B 14 -15.893 -12.004 -1.336 1.00 0.00 C ATOM 509 C ALA B 14 -15.415 -13.246 -2.111 1.00 0.00 C ATOM 510 O ALA B 14 -15.352 -13.202 -3.335 1.00 0.00 O ATOM 511 CB ALA B 14 -14.724 -11.052 -1.057 1.00 0.00 C ATOM 0 H ALA B 14 -15.998 -12.135 0.752 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.626 -11.517 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.223 -10.807 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.101 -10.138 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -14.016 -11.533 -0.382 1.00 0.00 H new ATOM 517 N LEU B 15 -15.121 -14.372 -1.453 1.00 0.00 N ATOM 518 CA LEU B 15 -14.733 -15.632 -2.114 1.00 0.00 C ATOM 519 C LEU B 15 -15.889 -16.196 -2.969 1.00 0.00 C ATOM 520 O LEU B 15 -15.662 -16.607 -4.110 1.00 0.00 O ATOM 521 CB LEU B 15 -14.133 -16.551 -1.025 1.00 0.00 C ATOM 522 CG LEU B 15 -13.924 -18.065 -1.228 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.132 -18.857 -0.733 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.542 -18.505 -2.641 1.00 0.00 C ATOM 0 H LEU B 15 -15.145 -14.440 -0.436 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.953 -15.500 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.158 -16.135 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.765 -16.441 -0.144 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.048 -18.292 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.958 -19.922 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.282 -18.665 0.329 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.020 -18.550 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.421 -19.588 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.327 -18.212 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.605 -18.029 -2.929 1.00 0.00 H new ATOM 536 N TYR B 16 -17.142 -16.059 -2.518 1.00 0.00 N ATOM 537 CA TYR B 16 -18.340 -16.303 -3.343 1.00 0.00 C ATOM 538 C TYR B 16 -18.511 -15.349 -4.547 1.00 0.00 C ATOM 539 O TYR B 16 -19.320 -15.640 -5.429 1.00 0.00 O ATOM 540 CB TYR B 16 -19.597 -16.311 -2.457 1.00 0.00 C ATOM 541 CG TYR B 16 -19.701 -17.504 -1.520 1.00 0.00 C ATOM 542 CD1 TYR B 16 -19.874 -18.797 -2.055 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.656 -17.327 -0.124 1.00 0.00 C ATOM 544 CE1 TYR B 16 -19.972 -19.913 -1.201 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.760 -18.440 0.734 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.910 -19.737 0.199 1.00 0.00 C ATOM 547 OH TYR B 16 -20.006 -20.807 1.036 1.00 0.00 O ATOM 0 H TYR B 16 -17.359 -15.774 -1.563 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.194 -17.285 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.614 -15.397 -1.864 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.478 -16.291 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -19.932 -18.932 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.542 -16.336 0.290 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.094 -20.902 -1.616 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.725 -18.300 1.804 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.942 -20.502 1.965 1.00 0.00 H new ATOM 557 N LEU B 17 -17.745 -14.254 -4.638 1.00 0.00 N ATOM 558 CA LEU B 17 -17.660 -13.388 -5.827 1.00 0.00 C ATOM 559 C LEU B 17 -16.412 -13.689 -6.685 1.00 0.00 C ATOM 560 O LEU B 17 -16.499 -13.707 -7.913 1.00 0.00 O ATOM 561 CB LEU B 17 -17.687 -11.905 -5.399 1.00 0.00 C ATOM 562 CG LEU B 17 -18.886 -11.486 -4.525 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.743 -10.017 -4.125 1.00 0.00 C ATOM 564 CD2 LEU B 17 -20.223 -11.659 -5.248 1.00 0.00 C ATOM 0 H LEU B 17 -17.153 -13.936 -3.871 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.527 -13.599 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.769 -11.686 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.680 -11.286 -6.296 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.883 -12.134 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.592 -9.724 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.820 -9.882 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.715 -9.397 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -21.035 -11.350 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -20.232 -11.045 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.356 -12.706 -5.522 1.00 0.00 H new ATOM 576 N VAL B 18 -15.262 -13.943 -6.048 1.00 0.00 N ATOM 577 CA VAL B 18 -13.958 -14.187 -6.696 1.00 0.00 C ATOM 578 C VAL B 18 -13.924 -15.531 -7.429 1.00 0.00 C ATOM 579 O VAL B 18 -13.567 -15.563 -8.609 1.00 0.00 O ATOM 580 CB VAL B 18 -12.809 -14.072 -5.668 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.453 -14.563 -6.195 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.616 -12.611 -5.236 1.00 0.00 C ATOM 0 H VAL B 18 -15.207 -13.987 -5.030 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.815 -13.415 -7.452 1.00 0.00 H new ATOM 0 HB VAL B 18 -13.113 -14.709 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.698 -14.451 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.531 -15.613 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.167 -13.974 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.803 -12.550 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.373 -12.003 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.535 -12.242 -4.781 1.00 0.00 H new ATOM 592 N CYS B 19 -14.308 -16.634 -6.771 1.00 0.00 N ATOM 593 CA CYS B 19 -14.383 -17.948 -7.426 1.00 0.00 C ATOM 594 C CYS B 19 -15.734 -18.155 -8.145 1.00 0.00 C ATOM 595 O CYS B 19 -15.782 -18.702 -9.246 1.00 0.00 O ATOM 596 CB CYS B 19 -14.050 -19.058 -6.419 1.00 0.00 C ATOM 597 SG CYS B 19 -13.381 -20.542 -7.223 1.00 0.00 S ATOM 0 H CYS B 19 -14.572 -16.642 -5.786 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.631 -17.994 -8.214 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.327 -18.683 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.950 -19.323 -5.863 1.00 0.00 H new ATOM 602 N GLY B 20 -16.825 -17.634 -7.568 1.00 0.00 N ATOM 603 CA GLY B 20 -18.127 -17.432 -8.221 1.00 0.00 C ATOM 604 C GLY B 20 -19.001 -18.674 -8.465 1.00 0.00 C ATOM 605 O GLY B 20 -20.128 -18.745 -7.974 1.00 0.00 O ATOM 0 H GLY B 20 -16.826 -17.329 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.701 -16.731 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.949 -16.952 -9.183 1.00 0.00 H new ATOM 609 N GLU B 21 -18.534 -19.614 -9.288 1.00 0.00 N ATOM 610 CA GLU B 21 -19.406 -20.505 -10.080 1.00 0.00 C ATOM 611 C GLU B 21 -19.930 -21.766 -9.358 1.00 0.00 C ATOM 612 O GLU B 21 -21.142 -21.996 -9.308 1.00 0.00 O ATOM 613 CB GLU B 21 -18.771 -20.878 -11.447 1.00 0.00 C ATOM 614 CG GLU B 21 -17.317 -20.455 -11.745 1.00 0.00 C ATOM 615 CD GLU B 21 -16.242 -21.248 -10.971 1.00 0.00 C ATOM 616 OE1 GLU B 21 -15.067 -21.272 -11.407 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.552 -21.887 -9.941 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.539 -19.785 -9.430 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.294 -19.895 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.824 -21.962 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.402 -20.454 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -17.132 -20.567 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.206 -19.396 -11.512 1.00 0.00 H new ATOM 624 N ARG B 22 -19.027 -22.617 -8.857 1.00 0.00 N ATOM 625 CA ARG B 22 -19.291 -24.039 -8.547 1.00 0.00 C ATOM 626 C ARG B 22 -20.264 -24.325 -7.393 1.00 0.00 C ATOM 627 O ARG B 22 -20.954 -25.345 -7.440 1.00 0.00 O ATOM 628 CB ARG B 22 -17.936 -24.729 -8.296 1.00 0.00 C ATOM 629 CG ARG B 22 -17.318 -25.240 -9.609 1.00 0.00 C ATOM 630 CD ARG B 22 -15.809 -25.477 -9.478 1.00 0.00 C ATOM 631 NE ARG B 22 -15.065 -24.225 -9.665 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.760 -24.050 -9.670 1.00 0.00 C ATOM 633 NH1 ARG B 22 -12.911 -25.000 -9.417 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.286 -22.879 -9.958 1.00 0.00 N ATOM 0 H ARG B 22 -18.069 -22.336 -8.649 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.814 -24.442 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.252 -24.028 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.072 -25.562 -7.607 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.807 -26.169 -9.903 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.504 -24.517 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.586 -25.894 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.486 -26.211 -10.217 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.629 -23.387 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.246 -25.939 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.910 -24.807 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.921 -22.111 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.278 -22.725 -9.967 1.00 0.00 H new ATOM 648 N GLY B 23 -20.316 -23.471 -6.369 1.00 0.00 N ATOM 649 CA GLY B 23 -20.935 -23.790 -5.072 1.00 0.00 C ATOM 650 C GLY B 23 -20.030 -24.731 -4.262 1.00 0.00 C ATOM 651 O GLY B 23 -19.877 -25.911 -4.587 1.00 0.00 O ATOM 0 H GLY B 23 -19.927 -22.529 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.111 -22.872 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -21.907 -24.258 -5.231 1.00 0.00 H new ATOM 655 N PHE B 24 -19.344 -24.176 -3.264 1.00 0.00 N ATOM 656 CA PHE B 24 -18.058 -24.704 -2.786 1.00 0.00 C ATOM 657 C PHE B 24 -18.188 -25.767 -1.682 1.00 0.00 C ATOM 658 O PHE B 24 -19.192 -25.825 -0.966 1.00 0.00 O ATOM 659 CB PHE B 24 -17.171 -23.524 -2.358 1.00 0.00 C ATOM 660 CG PHE B 24 -17.168 -22.330 -3.307 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.066 -21.039 -2.765 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.329 -22.482 -4.703 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.153 -19.914 -3.599 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.464 -21.352 -5.529 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.384 -20.067 -4.973 1.00 0.00 C ATOM 0 H PHE B 24 -19.661 -23.347 -2.761 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.588 -25.240 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.497 -23.184 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.147 -23.882 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -16.920 -20.911 -1.703 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.348 -23.471 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -17.041 -18.925 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.629 -21.473 -6.589 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.500 -19.197 -5.602 1.00 0.00 H new ATOM 675 N PHE B 25 -17.159 -26.609 -1.540 1.00 0.00 N ATOM 676 CA PHE B 25 -17.127 -27.707 -0.569 1.00 0.00 C ATOM 677 C PHE B 25 -16.836 -27.197 0.854 1.00 0.00 C ATOM 678 O PHE B 25 -17.673 -27.346 1.745 1.00 0.00 O ATOM 679 CB PHE B 25 -16.115 -28.760 -1.047 1.00 0.00 C ATOM 680 CG PHE B 25 -16.003 -29.986 -0.160 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.112 -30.840 0.002 1.00 0.00 C ATOM 682 CD2 PHE B 25 -14.784 -30.299 0.474 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.006 -31.994 0.798 1.00 0.00 C ATOM 684 CE2 PHE B 25 -14.676 -31.462 1.258 1.00 0.00 C ATOM 685 CZ PHE B 25 -15.788 -32.307 1.425 1.00 0.00 C ATOM 0 H PHE B 25 -16.312 -26.546 -2.105 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.109 -28.177 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.392 -29.080 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.133 -28.292 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.046 -30.607 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -13.932 -29.645 0.358 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.861 -32.640 0.928 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.737 -31.707 1.733 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.706 -33.195 2.034 1.00 0.00 H new ATOM 695 N TYR B 26 -15.673 -26.554 1.039 1.00 0.00 N ATOM 696 CA TYR B 26 -15.291 -25.731 2.202 1.00 0.00 C ATOM 697 C TYR B 26 -15.680 -26.333 3.579 1.00 0.00 C ATOM 698 O TYR B 26 -16.245 -25.658 4.443 1.00 0.00 O ATOM 699 CB TYR B 26 -15.770 -24.281 1.960 1.00 0.00 C ATOM 700 CG TYR B 26 -15.079 -23.151 2.720 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.184 -23.390 3.786 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.349 -21.818 2.339 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.608 -22.316 4.485 1.00 0.00 C ATOM 704 CE2 TYR B 26 -14.758 -20.740 3.029 1.00 0.00 C ATOM 705 CZ TYR B 26 -13.899 -20.989 4.119 1.00 0.00 C ATOM 706 OH TYR B 26 -13.355 -19.964 4.827 1.00 0.00 O ATOM 0 H TYR B 26 -14.929 -26.595 0.342 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.204 -25.721 2.279 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -15.672 -24.073 0.895 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -16.833 -24.239 2.197 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -13.941 -24.404 4.066 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.015 -21.623 1.511 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.937 -22.510 5.309 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -14.963 -19.725 2.723 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.378 -20.018 4.782 1.00 0.00 H new ATOM 716 N THR B 27 -15.395 -27.625 3.787 1.00 0.00 N ATOM 717 CA THR B 27 -15.799 -28.359 5.004 1.00 0.00 C ATOM 718 C THR B 27 -15.008 -28.045 6.300 1.00 0.00 C ATOM 719 O THR B 27 -15.639 -28.042 7.365 1.00 0.00 O ATOM 720 CB THR B 27 -15.898 -29.872 4.719 1.00 0.00 C ATOM 721 OG1 THR B 27 -16.599 -30.519 5.759 1.00 0.00 O ATOM 722 CG2 THR B 27 -14.560 -30.597 4.571 1.00 0.00 C ATOM 0 H THR B 27 -14.878 -28.196 3.118 1.00 0.00 H new ATOM 0 HA THR B 27 -16.790 -27.972 5.242 1.00 0.00 H new ATOM 0 HB THR B 27 -16.413 -29.928 3.760 1.00 0.00 H new ATOM 0 HG1 THR B 27 -16.657 -31.478 5.567 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.739 -31.654 4.373 1.00 0.00 H new ATOM 0 HG22 THR B 27 -14.000 -30.162 3.743 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.986 -30.493 5.492 1.00 0.00 H new ATOM 730 N PRO B 28 -13.683 -27.746 6.307 1.00 0.00 N ATOM 731 CA PRO B 28 -12.920 -27.591 7.552 1.00 0.00 C ATOM 732 C PRO B 28 -13.061 -26.175 8.147 1.00 0.00 C ATOM 733 O PRO B 28 -12.139 -25.358 8.059 1.00 0.00 O ATOM 734 CB PRO B 28 -11.483 -27.969 7.181 1.00 0.00 C ATOM 735 CG PRO B 28 -11.358 -27.454 5.752 1.00 0.00 C ATOM 736 CD PRO B 28 -12.760 -27.662 5.174 1.00 0.00 C ATOM 0 HA PRO B 28 -13.291 -28.233 8.351 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.757 -27.500 7.845 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -11.320 -29.045 7.239 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.065 -26.404 5.728 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.606 -28.008 5.190 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.032 -26.837 4.516 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.799 -28.573 4.576 1.00 0.00 H new ATOM 744 N LYS B 29 -14.220 -25.917 8.773 1.00 0.00 N ATOM 745 CA LYS B 29 -14.698 -24.639 9.354 1.00 0.00 C ATOM 746 C LYS B 29 -14.920 -23.516 8.328 1.00 0.00 C ATOM 747 O LYS B 29 -14.044 -23.215 7.518 1.00 0.00 O ATOM 748 CB LYS B 29 -13.758 -24.135 10.465 1.00 0.00 C ATOM 749 CG LYS B 29 -13.519 -25.091 11.650 1.00 0.00 C ATOM 750 CD LYS B 29 -12.095 -24.940 12.216 1.00 0.00 C ATOM 751 CE LYS B 29 -11.740 -23.483 12.551 1.00 0.00 C ATOM 752 NZ LYS B 29 -10.282 -23.302 12.758 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.911 -26.657 8.900 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.675 -24.882 9.773 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.793 -23.901 10.015 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.162 -23.201 10.856 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.247 -24.889 12.435 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.676 -26.120 11.327 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.000 -25.549 13.115 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.378 -25.327 11.492 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.075 -22.833 11.743 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.275 -23.176 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.015 -22.327 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.047 -23.485 13.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.760 -23.967 12.152 1.00 0.00 H new ATOM 766 N THR B 30 -16.051 -22.818 8.437 1.00 0.00 N ATOM 767 CA THR B 30 -16.304 -21.546 7.728 1.00 0.00 C ATOM 768 C THR B 30 -15.813 -20.372 8.584 1.00 0.00 C ATOM 769 O THR B 30 -16.091 -20.316 9.785 1.00 0.00 O ATOM 770 CB THR B 30 -17.792 -21.381 7.374 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.248 -22.520 6.672 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.037 -20.169 6.473 1.00 0.00 C ATOM 0 H THR B 30 -16.830 -23.116 9.024 1.00 0.00 H new ATOM 0 HA THR B 30 -15.751 -21.560 6.789 1.00 0.00 H new ATOM 0 HB THR B 30 -18.325 -21.248 8.315 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.196 -22.410 6.451 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.101 -20.092 6.249 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.707 -19.264 6.983 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.478 -20.287 5.545 1.00 0.00 H new ATOM 780 N ARG B 31 -15.053 -19.442 7.993 1.00 0.00 N ATOM 781 CA ARG B 31 -14.327 -18.387 8.728 1.00 0.00 C ATOM 782 C ARG B 31 -15.215 -17.200 9.142 1.00 0.00 C ATOM 783 O ARG B 31 -15.744 -16.485 8.291 1.00 0.00 O ATOM 784 CB ARG B 31 -13.120 -17.941 7.884 1.00 0.00 C ATOM 785 CG ARG B 31 -11.964 -18.959 7.952 1.00 0.00 C ATOM 786 CD ARG B 31 -10.862 -18.605 8.963 1.00 0.00 C ATOM 787 NE ARG B 31 -11.283 -18.728 10.373 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.785 -17.789 11.153 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.931 -16.560 10.760 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.187 -18.068 12.355 1.00 0.00 N ATOM 0 H ARG B 31 -14.920 -19.396 6.983 1.00 0.00 H new ATOM 0 HA ARG B 31 -13.982 -18.808 9.672 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.430 -17.812 6.847 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.770 -16.970 8.235 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.372 -19.937 8.206 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.516 -19.048 6.962 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.003 -19.254 8.792 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.530 -17.583 8.781 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.173 -19.650 10.795 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.653 -16.290 9.816 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.323 -15.865 11.395 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.117 -19.023 12.707 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.573 -17.333 12.947 1.00 0.00 H new ATOM 804 N ARG B 32 -15.316 -16.975 10.458 1.00 0.00 N ATOM 805 CA ARG B 32 -15.872 -15.778 11.127 1.00 0.00 C ATOM 806 C ARG B 32 -14.783 -14.729 11.368 1.00 0.00 C ATOM 807 O ARG B 32 -14.934 -13.610 10.831 1.00 0.00 O ATOM 808 CB ARG B 32 -16.622 -16.232 12.401 1.00 0.00 C ATOM 809 CG ARG B 32 -16.814 -15.235 13.565 1.00 0.00 C ATOM 810 CD ARG B 32 -17.286 -13.810 13.241 1.00 0.00 C ATOM 811 NE ARG B 32 -18.439 -13.762 12.322 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.496 -13.107 11.178 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.467 -12.515 10.656 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.604 -13.039 10.501 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.791 -15.047 12.061 1.00 0.00 O1- ATOM 0 H ARG B 32 -14.992 -17.666 11.134 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.598 -15.275 10.489 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.612 -16.571 12.094 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -16.096 -17.100 12.798 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.531 -15.671 14.260 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.864 -15.157 14.094 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.551 -13.305 14.170 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.458 -13.254 12.801 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.271 -14.285 12.597 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.566 -12.544 11.133 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.559 -12.020 9.769 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.445 -13.496 10.853 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.632 -12.529 9.618 1.00 0.00 H new