USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 TYR OH : rot 155:sc= 0.822 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -111:sc= 0.0152 (180deg=-2.17!) USER MOD Set 2.2: A 12 ASN : amide:sc= 0.0158 K(o=-0.74,f=-2.8) USER MOD Set 2.3: A 43 ASN : amide:sc= -0.774 K(o=-0.74,f=-2.8!) USER MOD Set 3.1: A 13 SER OG : rot 56:sc= 0.59 USER MOD Set 3.2: A 17 GLN : amide:sc= 0.521 K(o=1.1,f=-0.1) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 10 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-0.72) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0057 X(o=-0.0057,f=-0.24) USER MOD Single : A 26 CYS SG : rot 169:sc= -0.0504 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.351 USER MOD Single : A 29 GLN : amide:sc= 0.849 K(o=0.85,f=-0.074) USER MOD Single : A 32 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.32 F(o=-1.2,f=-0.32) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 37 ASN : amide:sc= -0.0239 X(o=-0.024,f=-0.18) USER MOD Single : A 42 SER OG : rot 135:sc= 2.17 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 170:sc= -0.892 (180deg=-0.942) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 0.0403 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.042) USER MOD Single : A 59 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 60 MET CE :methyl 170:sc= -0.983 (180deg=-1.13) USER MOD Single : A 61 CYS SG : rot 74:sc= 0.508 USER MOD Single : A 62 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.278 F(o=-0.86,f=-0.28) USER MOD Single : A 68 THR OG1 : rot -26:sc= 0.841 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.084) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 14.270 9.998 -12.299 1.00 0.00 N ATOM 31 CA GLN A 3 15.219 10.110 -11.181 1.00 0.00 C ATOM 32 C GLN A 3 14.525 10.306 -9.816 1.00 0.00 C ATOM 33 O GLN A 3 15.103 9.927 -8.795 1.00 0.00 O ATOM 34 CB GLN A 3 16.272 11.193 -11.513 1.00 0.00 C ATOM 35 CG GLN A 3 17.395 11.321 -10.462 1.00 0.00 C ATOM 36 CD GLN A 3 18.601 12.147 -10.930 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.119 12.003 -12.031 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.127 13.036 -10.115 1.00 0.00 N ATOM 0 HA GLN A 3 15.742 9.161 -11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.719 10.966 -12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.770 12.155 -11.612 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.984 11.776 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 3 17.736 10.323 -10.188 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.722 13.183 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.940 13.578 -10.408 1.00 0.00 H new ATOM 47 N PHE A 4 13.276 10.796 -9.769 1.00 0.00 N ATOM 48 CA PHE A 4 12.463 10.814 -8.541 1.00 0.00 C ATOM 49 C PHE A 4 11.507 9.602 -8.437 1.00 0.00 C ATOM 50 O PHE A 4 11.385 9.012 -7.362 1.00 0.00 O ATOM 51 CB PHE A 4 11.787 12.189 -8.358 1.00 0.00 C ATOM 52 CG PHE A 4 10.280 12.207 -8.517 1.00 0.00 C ATOM 53 CD1 PHE A 4 9.465 11.803 -7.444 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.695 12.579 -9.741 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.080 11.666 -7.627 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.302 12.504 -9.906 1.00 0.00 C ATOM 57 CZ PHE A 4 7.499 12.022 -8.859 1.00 0.00 C ATOM 0 H PHE A 4 12.801 11.191 -10.581 1.00 0.00 H new ATOM 0 HA PHE A 4 13.128 10.688 -7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.034 12.565 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.218 12.884 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.905 11.598 -6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.317 12.922 -10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.462 11.289 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.849 12.816 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.433 11.924 -9.000 1.00 0.00 H new ATOM 67 N GLU A 5 10.891 9.158 -9.539 1.00 0.00 N ATOM 68 CA GLU A 5 9.985 7.988 -9.575 1.00 0.00 C ATOM 69 C GLU A 5 10.681 6.646 -9.280 1.00 0.00 C ATOM 70 O GLU A 5 9.994 5.686 -8.915 1.00 0.00 O ATOM 71 CB GLU A 5 9.271 7.922 -10.937 1.00 0.00 C ATOM 72 CG GLU A 5 8.325 9.098 -11.242 1.00 0.00 C ATOM 73 CD GLU A 5 6.929 9.003 -10.610 1.00 0.00 C ATOM 74 OE1 GLU A 5 6.697 8.248 -9.639 1.00 0.00 O ATOM 75 OE2 GLU A 5 5.993 9.679 -11.110 1.00 0.00 O ATOM 0 H GLU A 5 11.005 9.604 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 5 9.264 8.137 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.025 7.871 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.699 6.995 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.797 10.019 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.211 9.179 -12.323 1.00 0.00 H new ATOM 83 N LYS A 6 12.019 6.584 -9.348 1.00 0.00 N ATOM 84 CA LYS A 6 12.819 5.465 -8.815 1.00 0.00 C ATOM 85 C LYS A 6 13.137 5.602 -7.321 1.00 0.00 C ATOM 86 O LYS A 6 13.197 4.600 -6.611 1.00 0.00 O ATOM 87 CB LYS A 6 14.062 5.247 -9.703 1.00 0.00 C ATOM 88 CG LYS A 6 15.282 6.167 -9.465 1.00 0.00 C ATOM 89 CD LYS A 6 16.220 5.824 -8.287 1.00 0.00 C ATOM 90 CE LYS A 6 16.455 4.320 -8.075 1.00 0.00 C ATOM 91 NZ LYS A 6 17.509 4.068 -7.067 1.00 0.00 N ATOM 0 H LYS A 6 12.584 7.316 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 6 12.215 4.559 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.389 4.215 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.755 5.358 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.879 6.176 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.913 7.182 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.182 6.309 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.803 6.246 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.526 3.848 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.738 3.859 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.640 3.043 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.402 4.497 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.227 4.486 -6.158 1.00 0.00 H new ATOM 105 N GLN A 7 13.317 6.828 -6.812 1.00 0.00 N ATOM 106 CA GLN A 7 13.775 7.066 -5.435 1.00 0.00 C ATOM 107 C GLN A 7 12.705 6.701 -4.397 1.00 0.00 C ATOM 108 O GLN A 7 13.027 6.148 -3.345 1.00 0.00 O ATOM 109 CB GLN A 7 14.302 8.510 -5.285 1.00 0.00 C ATOM 110 CG GLN A 7 13.354 9.510 -4.600 1.00 0.00 C ATOM 111 CD GLN A 7 13.946 10.907 -4.519 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.811 11.724 -5.422 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.609 11.254 -3.443 1.00 0.00 N ATOM 0 H GLN A 7 13.150 7.683 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 7 14.610 6.396 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.233 8.478 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.544 8.891 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.413 9.548 -5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.123 9.157 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.731 10.586 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.003 12.192 -3.367 1.00 0.00 H new ATOM 122 N LYS A 8 11.431 6.959 -4.721 1.00 0.00 N ATOM 123 CA LYS A 8 10.267 6.552 -3.914 1.00 0.00 C ATOM 124 C LYS A 8 10.207 5.040 -3.687 1.00 0.00 C ATOM 125 O LYS A 8 9.935 4.598 -2.578 1.00 0.00 O ATOM 126 CB LYS A 8 8.968 7.039 -4.577 1.00 0.00 C ATOM 127 CG LYS A 8 8.906 6.750 -6.087 1.00 0.00 C ATOM 128 CD LYS A 8 7.499 6.455 -6.593 1.00 0.00 C ATOM 129 CE LYS A 8 6.654 7.723 -6.596 1.00 0.00 C ATOM 130 NZ LYS A 8 5.293 7.407 -7.050 1.00 0.00 N ATOM 0 H LYS A 8 11.173 7.466 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 8 10.378 7.018 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.119 6.562 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.867 8.112 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.306 7.607 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.550 5.900 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.548 6.042 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.030 5.700 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.624 8.154 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.103 8.470 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.131 7.834 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.180 6.375 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.603 7.788 -6.371 1.00 0.00 H new ATOM 144 N GLU A 9 10.509 4.244 -4.711 1.00 0.00 N ATOM 145 CA GLU A 9 10.475 2.776 -4.623 1.00 0.00 C ATOM 146 C GLU A 9 11.601 2.227 -3.732 1.00 0.00 C ATOM 147 O GLU A 9 11.386 1.281 -2.966 1.00 0.00 O ATOM 148 CB GLU A 9 10.543 2.159 -6.026 1.00 0.00 C ATOM 149 CG GLU A 9 9.471 2.743 -6.951 1.00 0.00 C ATOM 150 CD GLU A 9 9.414 2.024 -8.296 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.477 1.795 -8.921 1.00 0.00 O ATOM 152 OE2 GLU A 9 8.284 1.761 -8.771 1.00 0.00 O ATOM 0 H GLU A 9 10.785 4.594 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 9 9.531 2.494 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.530 2.336 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.415 1.079 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.498 2.676 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.673 3.801 -7.115 1.00 0.00 H new ATOM 160 N GLN A 10 12.764 2.890 -3.758 1.00 0.00 N ATOM 161 CA GLN A 10 13.866 2.659 -2.821 1.00 0.00 C ATOM 162 C GLN A 10 13.474 3.044 -1.380 1.00 0.00 C ATOM 163 O GLN A 10 13.846 2.334 -0.447 1.00 0.00 O ATOM 164 CB GLN A 10 15.108 3.405 -3.337 1.00 0.00 C ATOM 165 CG GLN A 10 16.419 2.945 -2.676 1.00 0.00 C ATOM 166 CD GLN A 10 16.921 3.775 -1.493 1.00 0.00 C ATOM 167 OE1 GLN A 10 16.358 4.782 -1.071 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.066 3.405 -0.961 1.00 0.00 N ATOM 0 H GLN A 10 12.967 3.616 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 10 14.103 1.596 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.185 3.264 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.978 4.473 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.287 1.917 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.198 2.933 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.542 2.570 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.478 3.953 -0.206 1.00 0.00 H new ATOM 177 N GLY A 11 12.648 4.083 -1.200 1.00 0.00 N ATOM 178 CA GLY A 11 12.027 4.463 0.077 1.00 0.00 C ATOM 179 C GLY A 11 11.013 3.439 0.606 1.00 0.00 C ATOM 180 O GLY A 11 11.132 2.998 1.747 1.00 0.00 O ATOM 0 H GLY A 11 12.384 4.704 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.810 4.603 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.528 5.424 -0.045 1.00 0.00 H new ATOM 184 N ASN A 12 10.068 2.983 -0.226 1.00 0.00 N ATOM 185 CA ASN A 12 9.146 1.880 0.101 1.00 0.00 C ATOM 186 C ASN A 12 9.928 0.608 0.512 1.00 0.00 C ATOM 187 O ASN A 12 9.505 -0.114 1.419 1.00 0.00 O ATOM 188 CB ASN A 12 8.236 1.582 -1.114 1.00 0.00 C ATOM 189 CG ASN A 12 7.270 2.684 -1.545 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.125 3.738 -0.942 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.566 2.437 -2.624 1.00 0.00 N ATOM 0 H ASN A 12 9.918 3.372 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 12 8.528 2.183 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.874 1.340 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.653 0.689 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.894 3.125 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.690 1.556 -3.124 1.00 0.00 H new ATOM 198 N SER A 13 11.097 0.375 -0.102 1.00 0.00 N ATOM 199 CA SER A 13 12.037 -0.689 0.276 1.00 0.00 C ATOM 200 C SER A 13 12.747 -0.432 1.615 1.00 0.00 C ATOM 201 O SER A 13 12.833 -1.352 2.425 1.00 0.00 O ATOM 202 CB SER A 13 13.042 -0.925 -0.853 1.00 0.00 C ATOM 203 OG SER A 13 14.024 -1.847 -0.440 1.00 0.00 O ATOM 0 H SER A 13 11.422 0.933 -0.892 1.00 0.00 H new ATOM 0 HA SER A 13 11.449 -1.594 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.527 -1.302 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.512 0.017 -1.135 1.00 0.00 H new ATOM 0 HG SER A 13 13.591 -2.675 -0.145 1.00 0.00 H new ATOM 209 N LEU A 14 13.176 0.800 1.926 1.00 0.00 N ATOM 210 CA LEU A 14 13.761 1.126 3.238 1.00 0.00 C ATOM 211 C LEU A 14 12.788 0.792 4.383 1.00 0.00 C ATOM 212 O LEU A 14 13.205 0.176 5.365 1.00 0.00 O ATOM 213 CB LEU A 14 14.201 2.606 3.298 1.00 0.00 C ATOM 214 CG LEU A 14 15.480 2.979 2.529 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.661 4.495 2.531 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.730 2.374 3.168 1.00 0.00 C ATOM 0 H LEU A 14 13.129 1.591 1.284 1.00 0.00 H new ATOM 0 HA LEU A 14 14.649 0.507 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.384 3.219 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.342 2.877 4.344 1.00 0.00 H new ATOM 0 HG LEU A 14 15.365 2.589 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.568 4.754 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.802 4.965 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.742 4.850 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.609 2.663 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.829 2.739 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.644 1.287 3.178 1.00 0.00 H new ATOM 228 N PHE A 15 11.482 1.076 4.236 1.00 0.00 N ATOM 229 CA PHE A 15 10.482 0.591 5.202 1.00 0.00 C ATOM 230 C PHE A 15 10.491 -0.944 5.308 1.00 0.00 C ATOM 231 O PHE A 15 10.419 -1.485 6.407 1.00 0.00 O ATOM 232 CB PHE A 15 9.056 1.061 4.859 1.00 0.00 C ATOM 233 CG PHE A 15 8.786 2.546 5.029 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.544 3.082 6.309 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.758 3.397 3.910 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.392 4.469 6.479 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.600 4.786 4.076 1.00 0.00 C ATOM 238 CZ PHE A 15 8.462 5.323 5.367 1.00 0.00 C ATOM 0 H PHE A 15 11.099 1.630 3.470 1.00 0.00 H new ATOM 0 HA PHE A 15 10.768 1.021 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.844 0.789 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.353 0.510 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.475 2.425 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.858 2.983 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.222 4.877 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.585 5.437 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.410 6.393 5.504 1.00 0.00 H new ATOM 248 N LYS A 16 10.642 -1.656 4.185 1.00 0.00 N ATOM 249 CA LYS A 16 10.633 -3.126 4.117 1.00 0.00 C ATOM 250 C LYS A 16 11.799 -3.796 4.864 1.00 0.00 C ATOM 251 O LYS A 16 11.589 -4.868 5.433 1.00 0.00 O ATOM 252 CB LYS A 16 10.552 -3.561 2.637 1.00 0.00 C ATOM 253 CG LYS A 16 9.483 -4.627 2.351 1.00 0.00 C ATOM 254 CD LYS A 16 8.042 -4.203 2.694 1.00 0.00 C ATOM 255 CE LYS A 16 7.559 -2.894 2.051 1.00 0.00 C ATOM 256 NZ LYS A 16 7.241 -3.062 0.618 1.00 0.00 N ATOM 0 H LYS A 16 10.777 -1.217 3.274 1.00 0.00 H new ATOM 0 HA LYS A 16 9.748 -3.477 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.348 -2.684 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.524 -3.946 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.527 -4.892 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.727 -5.527 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.367 -5.004 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.960 -4.106 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.675 -2.536 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.328 -2.130 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.919 -2.154 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.091 -3.378 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.489 -3.772 0.510 1.00 0.00 H new ATOM 270 N GLN A 17 12.976 -3.162 4.944 1.00 0.00 N ATOM 271 CA GLN A 17 14.117 -3.600 5.786 1.00 0.00 C ATOM 272 C GLN A 17 13.987 -3.193 7.272 1.00 0.00 C ATOM 273 O GLN A 17 14.795 -3.604 8.112 1.00 0.00 O ATOM 274 CB GLN A 17 15.452 -3.069 5.220 1.00 0.00 C ATOM 275 CG GLN A 17 16.001 -3.875 4.032 1.00 0.00 C ATOM 276 CD GLN A 17 15.201 -3.650 2.762 1.00 0.00 C ATOM 277 OE1 GLN A 17 14.331 -4.435 2.399 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.440 -2.565 2.070 1.00 0.00 N ATOM 0 H GLN A 17 13.174 -2.311 4.417 1.00 0.00 H new ATOM 0 HA GLN A 17 14.103 -4.689 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.315 -2.033 4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.196 -3.067 6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.041 -3.598 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.992 -4.936 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.164 -1.915 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.902 -2.370 1.226 1.00 0.00 H new ATOM 287 N GLY A 18 12.991 -2.376 7.619 1.00 0.00 N ATOM 288 CA GLY A 18 12.828 -1.807 8.961 1.00 0.00 C ATOM 289 C GLY A 18 13.507 -0.447 9.160 1.00 0.00 C ATOM 290 O GLY A 18 13.551 0.069 10.280 1.00 0.00 O ATOM 0 H GLY A 18 12.263 -2.086 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.764 -1.702 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.229 -2.510 9.691 1.00 0.00 H new ATOM 294 N LEU A 19 14.060 0.149 8.101 1.00 0.00 N ATOM 295 CA LEU A 19 14.789 1.426 8.124 1.00 0.00 C ATOM 296 C LEU A 19 13.810 2.609 8.066 1.00 0.00 C ATOM 297 O LEU A 19 14.005 3.556 7.308 1.00 0.00 O ATOM 298 CB LEU A 19 15.873 1.408 7.022 1.00 0.00 C ATOM 299 CG LEU A 19 16.869 0.228 7.112 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.725 0.156 5.849 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.810 0.342 8.311 1.00 0.00 C ATOM 0 H LEU A 19 14.012 -0.258 7.167 1.00 0.00 H new ATOM 0 HA LEU A 19 15.320 1.561 9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.382 1.377 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.433 2.342 7.067 1.00 0.00 H new ATOM 0 HG LEU A 19 16.264 -0.671 7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.421 -0.679 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.082 0.012 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.285 1.084 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.487 -0.512 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.389 1.262 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.226 0.357 9.231 1.00 0.00 H new ATOM 313 N TYR A 20 12.726 2.543 8.853 1.00 0.00 N ATOM 314 CA TYR A 20 11.575 3.443 8.757 1.00 0.00 C ATOM 315 C TYR A 20 11.961 4.930 8.875 1.00 0.00 C ATOM 316 O TYR A 20 11.370 5.748 8.183 1.00 0.00 O ATOM 317 CB TYR A 20 10.490 3.108 9.804 1.00 0.00 C ATOM 318 CG TYR A 20 10.211 1.642 10.130 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.872 0.719 9.123 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.240 1.207 11.471 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.611 -0.627 9.447 1.00 0.00 C ATOM 322 CE2 TYR A 20 10.032 -0.147 11.795 1.00 0.00 C ATOM 323 CZ TYR A 20 9.739 -1.076 10.779 1.00 0.00 C ATOM 324 OH TYR A 20 9.638 -2.399 11.078 1.00 0.00 O ATOM 0 H TYR A 20 12.626 1.845 9.590 1.00 0.00 H new ATOM 0 HA TYR A 20 11.168 3.280 7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.763 3.607 10.734 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.555 3.555 9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.812 1.045 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.424 1.922 12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.312 -1.318 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.097 -0.473 12.823 1.00 0.00 H new ATOM 0 HH TYR A 20 9.753 -2.526 12.043 1.00 0.00 H new ATOM 334 N ARG A 21 12.965 5.312 9.682 1.00 0.00 N ATOM 335 CA ARG A 21 13.359 6.731 9.841 1.00 0.00 C ATOM 336 C ARG A 21 14.173 7.241 8.647 1.00 0.00 C ATOM 337 O ARG A 21 13.969 8.376 8.207 1.00 0.00 O ATOM 338 CB ARG A 21 14.097 6.970 11.175 1.00 0.00 C ATOM 339 CG ARG A 21 13.179 7.071 12.409 1.00 0.00 C ATOM 340 CD ARG A 21 12.565 5.732 12.831 1.00 0.00 C ATOM 341 NE ARG A 21 11.636 5.862 13.967 1.00 0.00 N ATOM 342 CZ ARG A 21 10.950 4.867 14.500 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.138 3.633 14.132 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.048 5.086 15.409 1.00 0.00 N ATOM 0 H ARG A 21 13.521 4.661 10.236 1.00 0.00 H new ATOM 0 HA ARG A 21 12.438 7.314 9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.807 6.158 11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.677 7.889 11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.750 7.478 13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.377 7.778 12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.036 5.297 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.363 5.040 13.098 1.00 0.00 H new ATOM 0 HE ARG A 21 11.513 6.790 14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.830 3.414 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.594 2.884 14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.860 6.038 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.528 4.306 15.810 1.00 0.00 H new ATOM 358 N GLU A 22 15.014 6.391 8.057 1.00 0.00 N ATOM 359 CA GLU A 22 15.671 6.670 6.769 1.00 0.00 C ATOM 360 C GLU A 22 14.686 6.618 5.589 1.00 0.00 C ATOM 361 O GLU A 22 14.913 7.257 4.559 1.00 0.00 O ATOM 362 CB GLU A 22 16.796 5.654 6.533 1.00 0.00 C ATOM 363 CG GLU A 22 18.028 5.949 7.391 1.00 0.00 C ATOM 364 CD GLU A 22 19.169 5.004 7.018 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.267 3.881 7.570 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.995 5.386 6.152 1.00 0.00 O ATOM 0 H GLU A 22 15.263 5.486 8.456 1.00 0.00 H new ATOM 0 HA GLU A 22 16.074 7.681 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.431 4.651 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.077 5.664 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.341 6.983 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.781 5.834 8.446 1.00 0.00 H new ATOM 374 N ALA A 23 13.583 5.885 5.737 1.00 0.00 N ATOM 375 CA ALA A 23 12.506 5.827 4.756 1.00 0.00 C ATOM 376 C ALA A 23 11.550 7.040 4.832 1.00 0.00 C ATOM 377 O ALA A 23 11.116 7.557 3.803 1.00 0.00 O ATOM 378 CB ALA A 23 11.775 4.502 4.958 1.00 0.00 C ATOM 0 H ALA A 23 13.412 5.305 6.558 1.00 0.00 H new ATOM 0 HA ALA A 23 12.927 5.878 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.960 4.423 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.471 3.676 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.372 4.459 5.970 1.00 0.00 H new ATOM 384 N VAL A 24 11.283 7.566 6.034 1.00 0.00 N ATOM 385 CA VAL A 24 10.600 8.858 6.242 1.00 0.00 C ATOM 386 C VAL A 24 11.448 10.008 5.681 1.00 0.00 C ATOM 387 O VAL A 24 10.916 10.869 4.983 1.00 0.00 O ATOM 388 CB VAL A 24 10.254 9.060 7.734 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.763 10.477 8.049 1.00 0.00 C ATOM 390 CG2 VAL A 24 9.146 8.101 8.190 1.00 0.00 C ATOM 0 H VAL A 24 11.538 7.102 6.906 1.00 0.00 H new ATOM 0 HA VAL A 24 9.657 8.852 5.695 1.00 0.00 H new ATOM 0 HB VAL A 24 11.188 8.867 8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.536 10.556 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.539 11.197 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.864 10.688 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.929 8.271 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.246 8.278 7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.475 7.071 8.049 1.00 0.00 H new ATOM 400 N HIS A 25 12.775 9.968 5.869 1.00 0.00 N ATOM 401 CA HIS A 25 13.709 10.886 5.201 1.00 0.00 C ATOM 402 C HIS A 25 13.551 10.857 3.668 1.00 0.00 C ATOM 403 O HIS A 25 13.643 11.904 3.029 1.00 0.00 O ATOM 404 CB HIS A 25 15.148 10.535 5.623 1.00 0.00 C ATOM 405 CG HIS A 25 16.225 11.427 5.043 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.730 11.389 3.760 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.926 12.386 5.721 1.00 0.00 C ATOM 408 CE1 HIS A 25 17.682 12.332 3.657 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.849 12.964 4.835 1.00 0.00 N ATOM 0 H HIS A 25 13.231 9.298 6.489 1.00 0.00 H new ATOM 0 HA HIS A 25 13.479 11.905 5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.211 10.576 6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.355 9.506 5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.792 12.653 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 25 18.236 12.552 2.756 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.512 13.711 5.041 1.00 0.00 H new ATOM 418 N CYS A 26 13.260 9.692 3.074 1.00 0.00 N ATOM 419 CA CYS A 26 12.997 9.563 1.640 1.00 0.00 C ATOM 420 C CYS A 26 11.693 10.244 1.214 1.00 0.00 C ATOM 421 O CYS A 26 11.731 11.067 0.297 1.00 0.00 O ATOM 422 CB CYS A 26 13.025 8.083 1.242 1.00 0.00 C ATOM 423 SG CYS A 26 12.877 7.943 -0.558 1.00 0.00 S ATOM 0 H CYS A 26 13.201 8.809 3.581 1.00 0.00 H new ATOM 0 HA CYS A 26 13.789 10.087 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.953 7.622 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.209 7.549 1.728 1.00 0.00 H new ATOM 0 HG CYS A 26 13.136 6.722 -0.921 1.00 0.00 H new ATOM 429 N TYR A 27 10.559 9.976 1.879 1.00 0.00 N ATOM 430 CA TYR A 27 9.303 10.657 1.506 1.00 0.00 C ATOM 431 C TYR A 27 9.413 12.181 1.679 1.00 0.00 C ATOM 432 O TYR A 27 8.900 12.932 0.846 1.00 0.00 O ATOM 433 CB TYR A 27 8.036 10.030 2.131 1.00 0.00 C ATOM 434 CG TYR A 27 7.541 10.534 3.481 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.124 11.873 3.648 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.378 9.632 4.551 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.670 12.332 4.895 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.858 10.074 5.783 1.00 0.00 C ATOM 439 CZ TYR A 27 6.552 11.437 5.976 1.00 0.00 C ATOM 440 OH TYR A 27 6.113 11.886 7.181 1.00 0.00 O ATOM 0 H TYR A 27 10.481 9.316 2.653 1.00 0.00 H new ATOM 0 HA TYR A 27 9.161 10.485 0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.222 10.155 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.214 8.959 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.155 12.551 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.653 8.595 4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.411 13.372 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.693 9.367 6.582 1.00 0.00 H new ATOM 0 HH TYR A 27 6.088 11.142 7.818 1.00 0.00 H new ATOM 450 N ASP A 28 10.150 12.646 2.693 1.00 0.00 N ATOM 451 CA ASP A 28 10.426 14.067 2.909 1.00 0.00 C ATOM 452 C ASP A 28 11.216 14.701 1.750 1.00 0.00 C ATOM 453 O ASP A 28 10.981 15.868 1.439 1.00 0.00 O ATOM 454 CB ASP A 28 11.134 14.244 4.262 1.00 0.00 C ATOM 455 CG ASP A 28 11.365 15.710 4.646 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.540 16.121 4.799 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.379 16.463 4.832 1.00 0.00 O ATOM 0 H ASP A 28 10.575 12.039 3.393 1.00 0.00 H new ATOM 0 HA ASP A 28 9.477 14.603 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.540 13.763 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.094 13.730 4.230 1.00 0.00 H new ATOM 463 N GLN A 29 12.068 13.957 1.025 1.00 0.00 N ATOM 464 CA GLN A 29 12.691 14.477 -0.206 1.00 0.00 C ATOM 465 C GLN A 29 11.654 14.720 -1.307 1.00 0.00 C ATOM 466 O GLN A 29 11.700 15.757 -1.969 1.00 0.00 O ATOM 467 CB GLN A 29 13.795 13.554 -0.756 1.00 0.00 C ATOM 468 CG GLN A 29 14.926 13.198 0.218 1.00 0.00 C ATOM 469 CD GLN A 29 15.348 14.359 1.114 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.842 15.384 0.659 1.00 0.00 O ATOM 471 NE2 GLN A 29 15.146 14.256 2.407 1.00 0.00 N ATOM 0 H GLN A 29 12.340 13.004 1.266 1.00 0.00 H new ATOM 0 HA GLN A 29 13.148 15.424 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.330 12.628 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.235 14.030 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.607 12.365 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.790 12.856 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.735 13.406 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.400 15.026 3.026 1.00 0.00 H new ATOM 480 N LEU A 30 10.667 13.830 -1.457 1.00 0.00 N ATOM 481 CA LEU A 30 9.636 13.948 -2.503 1.00 0.00 C ATOM 482 C LEU A 30 8.776 15.206 -2.274 1.00 0.00 C ATOM 483 O LEU A 30 8.409 15.894 -3.226 1.00 0.00 O ATOM 484 CB LEU A 30 8.731 12.703 -2.564 1.00 0.00 C ATOM 485 CG LEU A 30 9.424 11.350 -2.354 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.404 10.216 -2.374 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.493 11.035 -3.396 1.00 0.00 C ATOM 0 H LEU A 30 10.557 13.009 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 30 10.156 14.032 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.951 12.809 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.235 12.687 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 30 9.913 11.430 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.914 9.265 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.676 10.367 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.892 10.205 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.937 10.063 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.040 11.015 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.267 11.802 -3.366 1.00 0.00 H new ATOM 499 N ILE A 31 8.490 15.514 -1.004 1.00 0.00 N ATOM 500 CA ILE A 31 7.733 16.699 -0.561 1.00 0.00 C ATOM 501 C ILE A 31 8.626 17.964 -0.527 1.00 0.00 C ATOM 502 O ILE A 31 8.129 19.083 -0.638 1.00 0.00 O ATOM 503 CB ILE A 31 7.022 16.379 0.787 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.101 15.130 0.644 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.209 17.587 1.292 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.332 14.726 1.906 1.00 0.00 C ATOM 0 H ILE A 31 8.788 14.926 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 31 6.953 16.936 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 31 7.796 16.159 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.382 15.321 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.712 14.285 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.725 17.331 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.875 18.436 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.451 17.849 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.723 13.847 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.038 14.496 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.687 15.548 2.218 1.00 0.00 H new ATOM 518 N THR A 32 9.955 17.822 -0.464 1.00 0.00 N ATOM 519 CA THR A 32 10.908 18.947 -0.593 1.00 0.00 C ATOM 520 C THR A 32 11.100 19.360 -2.061 1.00 0.00 C ATOM 521 O THR A 32 11.079 20.548 -2.382 1.00 0.00 O ATOM 522 CB THR A 32 12.268 18.606 0.047 1.00 0.00 C ATOM 523 OG1 THR A 32 12.096 18.189 1.386 1.00 0.00 O ATOM 524 CG2 THR A 32 13.222 19.800 0.100 1.00 0.00 C ATOM 0 H THR A 32 10.409 16.920 -0.321 1.00 0.00 H new ATOM 0 HA THR A 32 10.477 19.792 -0.056 1.00 0.00 H new ATOM 0 HB THR A 32 12.690 17.822 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.978 17.217 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.161 19.495 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.414 20.158 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.772 20.600 0.688 1.00 0.00 H new ATOM 532 N ALA A 33 11.261 18.393 -2.970 1.00 0.00 N ATOM 533 CA ALA A 33 11.573 18.631 -4.383 1.00 0.00 C ATOM 534 C ALA A 33 10.336 18.745 -5.298 1.00 0.00 C ATOM 535 O ALA A 33 10.427 19.355 -6.367 1.00 0.00 O ATOM 536 CB ALA A 33 12.534 17.530 -4.837 1.00 0.00 C ATOM 0 H ALA A 33 11.176 17.403 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 33 12.042 19.611 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.787 17.678 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.442 17.569 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.058 16.557 -4.712 1.00 0.00 H new ATOM 542 N GLN A 34 9.171 18.227 -4.886 1.00 0.00 N ATOM 543 CA GLN A 34 7.887 18.377 -5.592 1.00 0.00 C ATOM 544 C GLN A 34 6.725 18.762 -4.625 1.00 0.00 C ATOM 545 O GLN A 34 5.773 17.992 -4.477 1.00 0.00 O ATOM 546 CB GLN A 34 7.583 17.105 -6.413 1.00 0.00 C ATOM 547 CG GLN A 34 8.651 16.608 -7.412 1.00 0.00 C ATOM 548 CD GLN A 34 9.843 15.861 -6.807 1.00 0.00 C ATOM 549 OE1 GLN A 34 9.657 15.096 -5.756 1.00 0.00 O flip ATOM 550 NE2 GLN A 34 10.968 15.952 -7.280 1.00 0.00 N flip ATOM 0 H GLN A 34 9.091 17.677 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 34 7.973 19.211 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.382 16.296 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.662 17.280 -6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.166 15.952 -8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.030 17.467 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.132 16.541 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.742 15.438 -6.858 1.00 0.00 H new ATOM 559 N PRO A 35 6.768 19.929 -3.939 1.00 0.00 N ATOM 560 CA PRO A 35 5.919 20.231 -2.772 1.00 0.00 C ATOM 561 C PRO A 35 4.399 20.163 -2.932 1.00 0.00 C ATOM 562 O PRO A 35 3.697 19.938 -1.940 1.00 0.00 O ATOM 563 CB PRO A 35 6.295 21.653 -2.361 1.00 0.00 C ATOM 564 CG PRO A 35 7.752 21.773 -2.786 1.00 0.00 C ATOM 565 CD PRO A 35 7.758 20.990 -4.094 1.00 0.00 C ATOM 0 HA PRO A 35 6.117 19.442 -2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.669 22.393 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.176 21.805 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.053 22.811 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.430 21.343 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.507 21.636 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.746 20.574 -4.294 1.00 0.00 H new ATOM 573 N GLN A 36 3.870 20.388 -4.136 1.00 0.00 N ATOM 574 CA GLN A 36 2.427 20.322 -4.412 1.00 0.00 C ATOM 575 C GLN A 36 2.055 19.197 -5.386 1.00 0.00 C ATOM 576 O GLN A 36 0.920 19.141 -5.867 1.00 0.00 O ATOM 577 CB GLN A 36 1.874 21.686 -4.852 1.00 0.00 C ATOM 578 CG GLN A 36 2.079 22.729 -3.748 1.00 0.00 C ATOM 579 CD GLN A 36 1.296 24.022 -3.951 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.325 24.112 -4.702 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.666 25.067 -3.250 1.00 0.00 N ATOM 0 H GLN A 36 4.431 20.623 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 36 1.941 20.066 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.374 22.011 -5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.813 21.597 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.791 22.290 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.141 22.968 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.469 25.003 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.150 25.943 -3.330 1.00 0.00 H new ATOM 590 N ASN A 37 2.981 18.281 -5.673 1.00 0.00 N ATOM 591 CA ASN A 37 2.656 17.079 -6.422 1.00 0.00 C ATOM 592 C ASN A 37 1.914 16.070 -5.526 1.00 0.00 C ATOM 593 O ASN A 37 2.392 15.772 -4.430 1.00 0.00 O ATOM 594 CB ASN A 37 3.927 16.457 -7.010 1.00 0.00 C ATOM 595 CG ASN A 37 4.238 17.006 -8.381 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.780 18.090 -8.546 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.850 16.273 -9.394 1.00 0.00 N ATOM 0 H ASN A 37 3.960 18.354 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 37 1.996 17.349 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.767 16.648 -6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.808 15.375 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.997 16.602 -10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.400 15.372 -9.229 1.00 0.00 H new ATOM 604 N PRO A 38 0.819 15.450 -6.005 1.00 0.00 N ATOM 605 CA PRO A 38 0.097 14.400 -5.279 1.00 0.00 C ATOM 606 C PRO A 38 0.979 13.209 -4.863 1.00 0.00 C ATOM 607 O PRO A 38 0.685 12.516 -3.888 1.00 0.00 O ATOM 608 CB PRO A 38 -0.983 13.921 -6.251 1.00 0.00 C ATOM 609 CG PRO A 38 -0.417 14.276 -7.623 1.00 0.00 C ATOM 610 CD PRO A 38 0.246 15.610 -7.331 1.00 0.00 C ATOM 0 HA PRO A 38 -0.293 14.803 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.161 12.850 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.935 14.420 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.295 13.532 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.196 14.361 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.013 15.842 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.476 16.426 -7.355 1.00 0.00 H new ATOM 618 N VAL A 39 2.072 12.975 -5.594 1.00 0.00 N ATOM 619 CA VAL A 39 2.985 11.843 -5.415 1.00 0.00 C ATOM 620 C VAL A 39 3.543 11.721 -3.993 1.00 0.00 C ATOM 621 O VAL A 39 3.528 10.632 -3.425 1.00 0.00 O ATOM 622 CB VAL A 39 4.119 11.927 -6.456 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.185 12.996 -6.166 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.776 10.555 -6.555 1.00 0.00 C ATOM 0 H VAL A 39 2.356 13.592 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 39 2.405 10.934 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 39 3.661 12.232 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.940 12.979 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.715 13.979 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.657 12.788 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.583 10.590 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.180 10.274 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.035 9.819 -6.866 1.00 0.00 H new ATOM 634 N GLY A 40 3.979 12.831 -3.383 1.00 0.00 N ATOM 635 CA GLY A 40 4.586 12.808 -2.051 1.00 0.00 C ATOM 636 C GLY A 40 3.573 12.416 -0.977 1.00 0.00 C ATOM 637 O GLY A 40 3.892 11.629 -0.092 1.00 0.00 O ATOM 0 H GLY A 40 3.921 13.761 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.418 12.103 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.998 13.791 -1.822 1.00 0.00 H new ATOM 641 N TYR A 41 2.323 12.857 -1.121 1.00 0.00 N ATOM 642 CA TYR A 41 1.214 12.483 -0.242 1.00 0.00 C ATOM 643 C TYR A 41 0.821 11.006 -0.420 1.00 0.00 C ATOM 644 O TYR A 41 0.552 10.322 0.565 1.00 0.00 O ATOM 645 CB TYR A 41 0.027 13.428 -0.497 1.00 0.00 C ATOM 646 CG TYR A 41 0.397 14.898 -0.399 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.400 15.560 0.847 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.827 15.582 -1.552 1.00 0.00 C ATOM 649 CE1 TYR A 41 0.854 16.893 0.932 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.308 16.901 -1.467 1.00 0.00 C ATOM 651 CZ TYR A 41 1.330 17.558 -0.219 1.00 0.00 C ATOM 652 OH TYR A 41 1.847 18.811 -0.123 1.00 0.00 O ATOM 0 H TYR A 41 2.047 13.497 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 41 1.531 12.589 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.381 13.228 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.763 13.211 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.056 15.048 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.787 15.089 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.837 17.407 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.659 17.409 -2.353 1.00 0.00 H new ATOM 0 HH TYR A 41 2.464 18.968 -0.868 1.00 0.00 H new ATOM 662 N SER A 42 0.872 10.471 -1.648 1.00 0.00 N ATOM 663 CA SER A 42 0.673 9.033 -1.904 1.00 0.00 C ATOM 664 C SER A 42 1.771 8.171 -1.266 1.00 0.00 C ATOM 665 O SER A 42 1.472 7.161 -0.626 1.00 0.00 O ATOM 666 CB SER A 42 0.576 8.769 -3.414 1.00 0.00 C ATOM 667 OG SER A 42 0.232 7.411 -3.645 1.00 0.00 O ATOM 0 H SER A 42 1.051 11.018 -2.490 1.00 0.00 H new ATOM 0 HA SER A 42 -0.267 8.744 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.173 9.424 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.527 8.999 -3.894 1.00 0.00 H new ATOM 0 HG SER A 42 -0.472 7.363 -4.325 1.00 0.00 H new ATOM 673 N ASN A 43 3.040 8.585 -1.364 1.00 0.00 N ATOM 674 CA ASN A 43 4.150 7.875 -0.725 1.00 0.00 C ATOM 675 C ASN A 43 4.227 8.098 0.801 1.00 0.00 C ATOM 676 O ASN A 43 4.690 7.211 1.513 1.00 0.00 O ATOM 677 CB ASN A 43 5.457 8.174 -1.477 1.00 0.00 C ATOM 678 CG ASN A 43 5.526 7.336 -2.742 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.240 7.801 -3.832 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.847 6.066 -2.630 1.00 0.00 N ATOM 0 H ASN A 43 3.323 9.415 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 43 3.965 6.804 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.508 9.233 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.313 7.956 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.857 5.468 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.086 5.679 -1.717 1.00 0.00 H new ATOM 687 N LYS A 44 3.687 9.202 1.329 1.00 0.00 N ATOM 688 CA LYS A 44 3.486 9.417 2.773 1.00 0.00 C ATOM 689 C LYS A 44 2.338 8.560 3.331 1.00 0.00 C ATOM 690 O LYS A 44 2.483 7.972 4.400 1.00 0.00 O ATOM 691 CB LYS A 44 3.321 10.923 3.028 1.00 0.00 C ATOM 692 CG LYS A 44 3.218 11.268 4.520 1.00 0.00 C ATOM 693 CD LYS A 44 3.106 12.786 4.700 1.00 0.00 C ATOM 694 CE LYS A 44 3.081 13.163 6.182 1.00 0.00 C ATOM 695 NZ LYS A 44 2.991 14.630 6.339 1.00 0.00 N ATOM 0 H LYS A 44 3.371 9.986 0.759 1.00 0.00 H new ATOM 0 HA LYS A 44 4.363 9.078 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.168 11.455 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.427 11.277 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.348 10.777 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.094 10.894 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.947 13.277 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.200 13.147 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.232 12.686 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.981 12.793 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.975 14.871 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.815 15.078 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.120 14.975 5.887 1.00 0.00 H new ATOM 709 N ALA A 45 1.250 8.366 2.579 1.00 0.00 N ATOM 710 CA ALA A 45 0.216 7.383 2.924 1.00 0.00 C ATOM 711 C ALA A 45 0.765 5.938 2.898 1.00 0.00 C ATOM 712 O ALA A 45 0.447 5.140 3.780 1.00 0.00 O ATOM 713 CB ALA A 45 -0.980 7.569 1.981 1.00 0.00 C ATOM 0 H ALA A 45 1.061 8.882 1.719 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.115 7.553 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.755 6.843 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.378 8.577 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.658 7.419 0.951 1.00 0.00 H new ATOM 719 N MET A 46 1.648 5.620 1.941 1.00 0.00 N ATOM 720 CA MET A 46 2.396 4.356 1.900 1.00 0.00 C ATOM 721 C MET A 46 3.319 4.187 3.124 1.00 0.00 C ATOM 722 O MET A 46 3.280 3.143 3.776 1.00 0.00 O ATOM 723 CB MET A 46 3.138 4.252 0.555 1.00 0.00 C ATOM 724 CG MET A 46 4.040 3.024 0.397 1.00 0.00 C ATOM 725 SD MET A 46 3.328 1.444 0.910 1.00 0.00 S ATOM 726 CE MET A 46 2.302 1.054 -0.514 1.00 0.00 C ATOM 0 H MET A 46 1.866 6.242 1.163 1.00 0.00 H new ATOM 0 HA MET A 46 1.698 3.521 1.964 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.401 4.246 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.745 5.148 0.424 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.332 2.945 -0.650 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.952 3.192 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.937 0.030 -0.430 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.455 1.739 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.891 1.155 -1.426 1.00 0.00 H new ATOM 736 N ALA A 47 4.072 5.224 3.509 1.00 0.00 N ATOM 737 CA ALA A 47 4.874 5.231 4.738 1.00 0.00 C ATOM 738 C ALA A 47 4.026 4.947 5.991 1.00 0.00 C ATOM 739 O ALA A 47 4.416 4.139 6.831 1.00 0.00 O ATOM 740 CB ALA A 47 5.577 6.593 4.858 1.00 0.00 C ATOM 0 H ALA A 47 4.142 6.088 2.972 1.00 0.00 H new ATOM 0 HA ALA A 47 5.610 4.430 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.178 6.614 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.223 6.747 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.830 7.386 4.898 1.00 0.00 H new ATOM 746 N LEU A 48 2.842 5.558 6.094 1.00 0.00 N ATOM 747 CA LEU A 48 1.935 5.386 7.231 1.00 0.00 C ATOM 748 C LEU A 48 1.380 3.955 7.336 1.00 0.00 C ATOM 749 O LEU A 48 1.379 3.406 8.436 1.00 0.00 O ATOM 750 CB LEU A 48 0.832 6.460 7.168 1.00 0.00 C ATOM 751 CG LEU A 48 1.341 7.855 7.587 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.361 8.937 7.143 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.511 7.982 9.103 1.00 0.00 C ATOM 0 H LEU A 48 2.483 6.193 5.381 1.00 0.00 H new ATOM 0 HA LEU A 48 2.498 5.528 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.436 6.511 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.007 6.168 7.818 1.00 0.00 H new ATOM 0 HG LEU A 48 2.311 7.981 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.736 9.914 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.256 8.910 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.610 8.761 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.871 8.982 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.552 7.813 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.232 7.242 9.452 1.00 0.00 H new ATOM 765 N ILE A 49 1.001 3.290 6.232 1.00 0.00 N ATOM 766 CA ILE A 49 0.616 1.863 6.308 1.00 0.00 C ATOM 767 C ILE A 49 1.811 0.954 6.622 1.00 0.00 C ATOM 768 O ILE A 49 1.669 0.022 7.416 1.00 0.00 O ATOM 769 CB ILE A 49 -0.172 1.356 5.081 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.614 1.362 3.756 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.461 2.172 4.940 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.120 0.655 2.610 1.00 0.00 C ATOM 0 H ILE A 49 0.952 3.699 5.299 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.076 1.806 7.148 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.390 0.305 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.816 2.393 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.579 0.880 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.022 1.819 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.067 2.054 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.212 3.225 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.489 0.696 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.299 -0.386 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.073 1.151 2.427 1.00 0.00 H new ATOM 784 N LYS A 50 3.007 1.274 6.106 1.00 0.00 N ATOM 785 CA LYS A 50 4.262 0.573 6.435 1.00 0.00 C ATOM 786 C LYS A 50 4.808 0.906 7.843 1.00 0.00 C ATOM 787 O LYS A 50 5.858 0.396 8.226 1.00 0.00 O ATOM 788 CB LYS A 50 5.282 0.734 5.283 1.00 0.00 C ATOM 789 CG LYS A 50 5.825 -0.636 4.829 1.00 0.00 C ATOM 790 CD LYS A 50 4.799 -1.506 4.077 1.00 0.00 C ATOM 791 CE LYS A 50 4.514 -0.907 2.696 1.00 0.00 C ATOM 792 NZ LYS A 50 3.722 -1.808 1.825 1.00 0.00 N ATOM 0 H LYS A 50 3.134 2.036 5.440 1.00 0.00 H new ATOM 0 HA LYS A 50 4.046 -0.493 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.808 1.238 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.108 1.366 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.690 -0.476 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.176 -1.183 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.180 -2.522 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.875 -1.571 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.978 0.034 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.459 -0.675 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.209 -1.244 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.360 -2.473 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.041 -2.340 2.404 1.00 0.00 H new ATOM 806 N LEU A 51 4.058 1.692 8.630 1.00 0.00 N ATOM 807 CA LEU A 51 4.212 1.952 10.065 1.00 0.00 C ATOM 808 C LEU A 51 2.953 1.587 10.897 1.00 0.00 C ATOM 809 O LEU A 51 2.930 1.807 12.111 1.00 0.00 O ATOM 810 CB LEU A 51 4.590 3.437 10.225 1.00 0.00 C ATOM 811 CG LEU A 51 6.095 3.728 10.062 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.323 5.239 9.975 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.899 3.197 11.255 1.00 0.00 C ATOM 0 H LEU A 51 3.264 2.203 8.245 1.00 0.00 H new ATOM 0 HA LEU A 51 4.996 1.307 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.037 4.022 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.270 3.777 11.210 1.00 0.00 H new ATOM 0 HG LEU A 51 6.429 3.230 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.388 5.440 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.783 5.640 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.960 5.715 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.956 3.418 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.551 3.676 12.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.762 2.119 11.335 1.00 0.00 H new ATOM 825 N GLY A 52 1.908 1.022 10.277 1.00 0.00 N ATOM 826 CA GLY A 52 0.691 0.538 10.951 1.00 0.00 C ATOM 827 C GLY A 52 -0.375 1.597 11.277 1.00 0.00 C ATOM 828 O GLY A 52 -1.288 1.326 12.059 1.00 0.00 O ATOM 0 H GLY A 52 1.883 0.884 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.233 -0.226 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.986 0.052 11.881 1.00 0.00 H new ATOM 832 N GLU A 53 -0.274 2.793 10.689 1.00 0.00 N ATOM 833 CA GLU A 53 -1.185 3.937 10.878 1.00 0.00 C ATOM 834 C GLU A 53 -2.254 4.009 9.769 1.00 0.00 C ATOM 835 O GLU A 53 -2.490 5.055 9.152 1.00 0.00 O ATOM 836 CB GLU A 53 -0.390 5.251 10.999 1.00 0.00 C ATOM 837 CG GLU A 53 0.659 5.280 12.117 1.00 0.00 C ATOM 838 CD GLU A 53 -0.028 5.425 13.471 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.384 4.395 14.094 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.249 6.577 13.913 1.00 0.00 O ATOM 0 H GLU A 53 0.480 3.005 10.036 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.722 3.786 11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.109 5.443 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.093 6.068 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.251 4.365 12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.349 6.109 11.959 1.00 0.00 H new ATOM 848 N TYR A 54 -2.892 2.872 9.467 1.00 0.00 N ATOM 849 CA TYR A 54 -3.796 2.739 8.317 1.00 0.00 C ATOM 850 C TYR A 54 -4.991 3.705 8.382 1.00 0.00 C ATOM 851 O TYR A 54 -5.388 4.259 7.356 1.00 0.00 O ATOM 852 CB TYR A 54 -4.284 1.286 8.162 1.00 0.00 C ATOM 853 CG TYR A 54 -3.297 0.190 8.545 1.00 0.00 C ATOM 854 CD1 TYR A 54 -3.273 -0.298 9.868 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.457 -0.389 7.576 1.00 0.00 C ATOM 856 CE1 TYR A 54 -2.431 -1.375 10.214 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.596 -1.448 7.925 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.596 -1.963 9.239 1.00 0.00 C ATOM 859 OH TYR A 54 -0.796 -3.016 9.555 1.00 0.00 O ATOM 0 H TYR A 54 -2.796 2.016 10.014 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.215 3.012 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.182 1.162 8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.576 1.134 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.902 0.155 10.620 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.472 -0.020 6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.425 -1.751 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.933 -1.868 7.183 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.291 -3.293 8.762 1.00 0.00 H new ATOM 869 N THR A 55 -5.501 3.984 9.587 1.00 0.00 N ATOM 870 CA THR A 55 -6.615 4.923 9.830 1.00 0.00 C ATOM 871 C THR A 55 -6.258 6.369 9.456 1.00 0.00 C ATOM 872 O THR A 55 -7.145 7.135 9.075 1.00 0.00 O ATOM 873 CB THR A 55 -7.074 4.850 11.299 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.191 3.498 11.705 1.00 0.00 O ATOM 875 CG2 THR A 55 -8.444 5.478 11.539 1.00 0.00 C ATOM 0 H THR A 55 -5.147 3.557 10.443 1.00 0.00 H new ATOM 0 HA THR A 55 -7.435 4.615 9.181 1.00 0.00 H new ATOM 0 HB THR A 55 -6.319 5.398 11.863 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.481 3.461 12.640 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.704 5.391 12.594 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.416 6.531 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.192 4.961 10.937 1.00 0.00 H new ATOM 883 N GLN A 56 -4.967 6.734 9.476 1.00 0.00 N ATOM 884 CA GLN A 56 -4.495 8.016 8.930 1.00 0.00 C ATOM 885 C GLN A 56 -4.330 7.939 7.409 1.00 0.00 C ATOM 886 O GLN A 56 -4.698 8.868 6.694 1.00 0.00 O ATOM 887 CB GLN A 56 -3.159 8.462 9.544 1.00 0.00 C ATOM 888 CG GLN A 56 -3.005 8.184 11.037 1.00 0.00 C ATOM 889 CD GLN A 56 -4.175 8.597 11.910 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.678 9.714 11.870 1.00 0.00 O ATOM 891 NE2 GLN A 56 -4.629 7.688 12.734 1.00 0.00 N ATOM 0 H GLN A 56 -4.225 6.154 9.868 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.258 8.750 9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.349 7.963 9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.039 9.532 9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.834 7.116 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.112 8.697 11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.202 6.762 12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.410 7.905 13.353 1.00 0.00 H new ATOM 900 N ALA A 57 -3.794 6.825 6.899 1.00 0.00 N ATOM 901 CA ALA A 57 -3.486 6.660 5.482 1.00 0.00 C ATOM 902 C ALA A 57 -4.737 6.711 4.587 1.00 0.00 C ATOM 903 O ALA A 57 -4.693 7.321 3.519 1.00 0.00 O ATOM 904 CB ALA A 57 -2.719 5.348 5.301 1.00 0.00 C ATOM 0 H ALA A 57 -3.562 6.009 7.465 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.869 7.499 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.480 5.208 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.796 5.383 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.333 4.517 5.647 1.00 0.00 H new ATOM 910 N ILE A 58 -5.868 6.148 5.028 1.00 0.00 N ATOM 911 CA ILE A 58 -7.152 6.239 4.306 1.00 0.00 C ATOM 912 C ILE A 58 -7.682 7.681 4.227 1.00 0.00 C ATOM 913 O ILE A 58 -8.212 8.083 3.190 1.00 0.00 O ATOM 914 CB ILE A 58 -8.201 5.268 4.902 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.552 5.594 6.372 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.714 3.815 4.737 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.578 4.642 6.996 1.00 0.00 C ATOM 0 H ILE A 58 -5.924 5.615 5.896 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.962 5.928 3.279 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.130 5.395 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.639 5.568 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.938 6.612 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.454 3.133 5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.578 3.595 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.766 3.688 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.770 4.939 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.507 4.685 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.188 3.624 6.978 1.00 0.00 H new ATOM 929 N GLN A 59 -7.468 8.498 5.264 1.00 0.00 N ATOM 930 CA GLN A 59 -7.798 9.927 5.258 1.00 0.00 C ATOM 931 C GLN A 59 -6.828 10.713 4.365 1.00 0.00 C ATOM 932 O GLN A 59 -7.251 11.502 3.522 1.00 0.00 O ATOM 933 CB GLN A 59 -7.844 10.437 6.702 1.00 0.00 C ATOM 934 CG GLN A 59 -8.320 11.892 6.831 1.00 0.00 C ATOM 935 CD GLN A 59 -7.202 12.928 6.696 1.00 0.00 C ATOM 936 OE1 GLN A 59 -6.235 12.935 7.451 1.00 0.00 O ATOM 937 NE2 GLN A 59 -7.293 13.836 5.749 1.00 0.00 N ATOM 0 H GLN A 59 -7.056 8.181 6.142 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.785 10.081 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.506 9.795 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.850 10.350 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.074 12.085 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.805 12.020 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.094 13.836 5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.562 14.540 5.646 1.00 0.00 H new ATOM 946 N MET A 60 -5.527 10.427 4.468 1.00 0.00 N ATOM 947 CA MET A 60 -4.490 11.036 3.636 1.00 0.00 C ATOM 948 C MET A 60 -4.660 10.713 2.143 1.00 0.00 C ATOM 949 O MET A 60 -4.351 11.555 1.307 1.00 0.00 O ATOM 950 CB MET A 60 -3.116 10.615 4.161 1.00 0.00 C ATOM 951 CG MET A 60 -1.987 11.379 3.461 1.00 0.00 C ATOM 952 SD MET A 60 -0.346 11.098 4.168 1.00 0.00 S ATOM 953 CE MET A 60 -0.512 12.003 5.731 1.00 0.00 C ATOM 0 H MET A 60 -5.161 9.755 5.143 1.00 0.00 H new ATOM 0 HA MET A 60 -4.584 12.120 3.707 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.066 10.794 5.235 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.980 9.544 4.009 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.970 11.094 2.409 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.208 12.446 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.344 11.786 6.370 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.552 13.073 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.428 11.694 6.235 1.00 0.00 H new ATOM 963 N CYS A 61 -5.224 9.555 1.779 1.00 0.00 N ATOM 964 CA CYS A 61 -5.584 9.267 0.389 1.00 0.00 C ATOM 965 C CYS A 61 -6.706 10.189 -0.122 1.00 0.00 C ATOM 966 O CYS A 61 -6.622 10.676 -1.247 1.00 0.00 O ATOM 967 CB CYS A 61 -5.937 7.780 0.218 1.00 0.00 C ATOM 968 SG CYS A 61 -4.461 6.745 0.432 1.00 0.00 S ATOM 0 H CYS A 61 -5.441 8.801 2.431 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.712 9.477 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.697 7.495 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.365 7.613 -0.771 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.149 6.690 1.693 1.00 0.00 H new ATOM 974 N GLN A 62 -7.710 10.502 0.705 1.00 0.00 N ATOM 975 CA GLN A 62 -8.796 11.437 0.361 1.00 0.00 C ATOM 976 C GLN A 62 -8.306 12.891 0.293 1.00 0.00 C ATOM 977 O GLN A 62 -8.652 13.609 -0.647 1.00 0.00 O ATOM 978 CB GLN A 62 -9.940 11.289 1.377 1.00 0.00 C ATOM 979 CG GLN A 62 -10.619 9.909 1.357 1.00 0.00 C ATOM 980 CD GLN A 62 -11.437 9.704 2.626 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.543 10.214 2.771 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.902 9.025 3.613 1.00 0.00 N ATOM 0 H GLN A 62 -7.795 10.111 1.643 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.161 11.184 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.550 11.476 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.690 12.055 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.265 9.826 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.865 9.126 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.983 8.598 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.406 8.924 4.494 1.00 0.00 H new ATOM 991 N GLN A 63 -7.426 13.306 1.209 1.00 0.00 N ATOM 992 CA GLN A 63 -6.677 14.562 1.097 1.00 0.00 C ATOM 993 C GLN A 63 -5.785 14.578 -0.158 1.00 0.00 C ATOM 994 O GLN A 63 -5.634 15.613 -0.799 1.00 0.00 O ATOM 995 CB GLN A 63 -5.897 14.768 2.409 1.00 0.00 C ATOM 996 CG GLN A 63 -4.829 15.877 2.394 1.00 0.00 C ATOM 997 CD GLN A 63 -3.433 15.336 2.091 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.020 15.264 0.844 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.699 14.936 2.982 1.00 0.00 N flip ATOM 0 H GLN A 63 -7.212 12.777 2.054 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.357 15.404 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.611 14.990 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.412 13.828 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.096 16.625 1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.819 16.381 3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.004 14.985 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.781 14.553 2.754 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.205 13.444 -0.555 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.416 13.313 -1.783 1.00 0.00 C ATOM 1010 C GLY A 64 -5.244 13.489 -3.054 1.00 0.00 C ATOM 1011 O GLY A 64 -4.744 14.068 -4.014 1.00 0.00 O ATOM 0 H GLY A 64 -5.271 12.576 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.616 14.053 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.942 12.332 -1.799 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.526 13.116 -3.049 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.427 13.379 -4.178 1.00 0.00 C ATOM 1017 C LEU A 65 -7.643 14.880 -4.431 1.00 0.00 C ATOM 1018 O LEU A 65 -7.769 15.283 -5.589 1.00 0.00 O ATOM 1019 CB LEU A 65 -8.760 12.635 -3.993 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.625 11.106 -4.080 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.950 10.462 -3.687 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.251 10.640 -5.486 1.00 0.00 C ATOM 0 H LEU A 65 -6.968 12.627 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.941 12.992 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.184 12.900 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.465 12.974 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.827 10.807 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.859 9.377 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.206 10.749 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.734 10.799 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.167 9.553 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.022 10.953 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.297 11.081 -5.774 1.00 0.00 H new ATOM 1034 N ARG A 66 -7.559 15.728 -3.392 1.00 0.00 N ATOM 1035 CA ARG A 66 -7.539 17.204 -3.541 1.00 0.00 C ATOM 1036 C ARG A 66 -6.282 17.755 -4.247 1.00 0.00 C ATOM 1037 O ARG A 66 -6.250 18.936 -4.595 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.741 17.914 -2.190 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.013 17.507 -1.431 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.193 18.430 -0.219 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.364 18.072 0.603 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.573 18.601 0.542 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -11.951 19.420 -0.399 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.453 18.300 1.447 1.00 0.00 N ATOM 0 H ARG A 66 -7.503 15.415 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.382 17.426 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.877 17.712 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.766 18.990 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.880 17.575 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.941 16.469 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.296 18.391 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.298 19.459 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.225 17.335 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.300 19.683 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.898 19.798 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.210 17.658 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.388 18.706 1.404 1.00 0.00 H new ATOM 1058 N TYR A 67 -5.276 16.914 -4.506 1.00 0.00 N ATOM 1059 CA TYR A 67 -4.117 17.190 -5.372 1.00 0.00 C ATOM 1060 C TYR A 67 -4.237 16.514 -6.761 1.00 0.00 C ATOM 1061 O TYR A 67 -3.264 16.465 -7.512 1.00 0.00 O ATOM 1062 CB TYR A 67 -2.816 16.821 -4.632 1.00 0.00 C ATOM 1063 CG TYR A 67 -2.507 17.685 -3.422 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -1.773 18.880 -3.582 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.945 17.297 -2.141 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -1.476 19.685 -2.465 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.661 18.111 -1.024 1.00 0.00 C ATOM 1068 CZ TYR A 67 -1.919 19.301 -1.181 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.631 20.076 -0.099 1.00 0.00 O ATOM 0 H TYR A 67 -5.242 15.978 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.092 18.259 -5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.879 15.781 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.984 16.890 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.438 19.178 -4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.497 16.378 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.909 20.596 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.013 17.822 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.011 19.667 0.707 1.00 0.00 H new ATOM 1079 N THR A 68 -5.419 15.983 -7.114 1.00 0.00 N ATOM 1080 CA THR A 68 -5.700 15.272 -8.384 1.00 0.00 C ATOM 1081 C THR A 68 -6.912 15.824 -9.153 1.00 0.00 C ATOM 1082 O THR A 68 -7.474 15.167 -10.031 1.00 0.00 O ATOM 1083 CB THR A 68 -5.793 13.748 -8.195 1.00 0.00 C ATOM 1084 OG1 THR A 68 -6.944 13.370 -7.478 1.00 0.00 O ATOM 1085 CG2 THR A 68 -4.581 13.163 -7.468 1.00 0.00 C ATOM 0 H THR A 68 -6.237 16.036 -6.506 1.00 0.00 H new ATOM 0 HA THR A 68 -4.834 15.472 -9.014 1.00 0.00 H new ATOM 0 HB THR A 68 -5.834 13.349 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.224 14.107 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.704 12.085 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.677 13.372 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.496 13.615 -6.480 1.00 0.00 H new ATOM 1093 N SER A 69 -7.325 17.057 -8.855 1.00 0.00 N ATOM 1094 CA SER A 69 -8.510 17.712 -9.435 1.00 0.00 C ATOM 1095 C SER A 69 -8.257 18.337 -10.821 1.00 0.00 C ATOM 1096 O SER A 69 -9.136 19.005 -11.372 1.00 0.00 O ATOM 1097 CB SER A 69 -9.036 18.775 -8.459 1.00 0.00 C ATOM 1098 OG SER A 69 -9.199 18.239 -7.153 1.00 0.00 O ATOM 0 H SER A 69 -6.834 17.649 -8.185 1.00 0.00 H new ATOM 0 HA SER A 69 -9.257 16.933 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.344 19.616 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.990 19.161 -8.818 1.00 0.00 H new ATOM 0 HG SER A 69 -9.533 18.937 -6.552 1.00 0.00 H new ATOM 1104 N THR A 70 -7.059 18.167 -11.386 1.00 0.00 N ATOM 1105 CA THR A 70 -6.537 18.905 -12.552 1.00 0.00 C ATOM 1106 C THR A 70 -5.692 17.994 -13.458 1.00 0.00 C ATOM 1107 O THR A 70 -5.104 17.019 -12.982 1.00 0.00 O ATOM 1108 CB THR A 70 -5.767 20.142 -12.051 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.373 20.986 -13.105 1.00 0.00 O ATOM 1110 CG2 THR A 70 -4.520 19.812 -11.226 1.00 0.00 C ATOM 0 H THR A 70 -6.392 17.482 -11.031 1.00 0.00 H new ATOM 0 HA THR A 70 -7.362 19.249 -13.176 1.00 0.00 H new ATOM 0 HB THR A 70 -6.485 20.647 -11.404 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.890 21.758 -12.743 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.036 20.737 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.808 19.236 -10.346 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.827 19.228 -11.832 1.00 0.00 H new ATOM 1118 N ALA A 71 -5.658 18.279 -14.766 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.243 17.342 -15.824 1.00 0.00 C ATOM 1120 C ALA A 71 -3.848 16.698 -15.680 1.00 0.00 C ATOM 1121 O ALA A 71 -3.637 15.595 -16.190 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.332 18.073 -17.167 1.00 0.00 C ATOM 0 H ALA A 71 -5.926 19.193 -15.130 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.927 16.497 -15.745 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.029 17.399 -17.969 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.358 18.400 -17.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.672 18.941 -17.153 1.00 0.00 H new ATOM 1128 N GLU A 72 -2.895 17.330 -14.992 1.00 0.00 N ATOM 1129 CA GLU A 72 -1.540 16.785 -14.801 1.00 0.00 C ATOM 1130 C GLU A 72 -1.467 15.629 -13.780 1.00 0.00 C ATOM 1131 O GLU A 72 -0.412 15.022 -13.585 1.00 0.00 O ATOM 1132 CB GLU A 72 -0.603 17.959 -14.460 1.00 0.00 C ATOM 1133 CG GLU A 72 0.903 17.677 -14.559 1.00 0.00 C ATOM 1134 CD GLU A 72 1.361 17.145 -15.927 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.619 17.245 -16.936 1.00 0.00 O ATOM 1136 OE2 GLU A 72 2.501 16.625 -15.999 1.00 0.00 O ATOM 0 H GLU A 72 -3.037 18.237 -14.548 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.215 16.313 -15.728 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.840 18.790 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.823 18.289 -13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.447 18.595 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.176 16.953 -13.791 1.00 0.00 H new ATOM 1144 N HIS A 73 -2.592 15.326 -13.125 1.00 0.00 N ATOM 1145 CA HIS A 73 -2.669 14.439 -11.967 1.00 0.00 C ATOM 1146 C HIS A 73 -3.843 13.430 -12.026 1.00 0.00 C ATOM 1147 O HIS A 73 -4.143 12.778 -11.024 1.00 0.00 O ATOM 1148 CB HIS A 73 -2.730 15.337 -10.721 1.00 0.00 C ATOM 1149 CG HIS A 73 -1.555 16.278 -10.536 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -0.218 15.985 -10.685 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -1.625 17.603 -10.201 1.00 0.00 C ATOM 1152 CE1 HIS A 73 0.489 17.098 -10.448 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -0.324 18.120 -10.124 1.00 0.00 N ATOM 0 H HIS A 73 -3.500 15.704 -13.396 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.787 13.799 -11.943 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.644 15.929 -10.766 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.806 14.701 -9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.534 18.159 -10.025 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.565 17.166 -10.509 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.051 19.071 -9.875 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.525 13.267 -13.169 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.722 12.401 -13.294 1.00 0.00 C ATOM 1164 C VAL A 74 -5.424 10.912 -13.490 1.00 0.00 C ATOM 1165 O VAL A 74 -6.334 10.096 -13.344 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.723 12.913 -14.352 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -7.252 14.302 -13.983 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -6.156 12.958 -15.774 1.00 0.00 C ATOM 0 H VAL A 74 -4.266 13.731 -14.040 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.196 12.477 -12.316 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.534 12.185 -14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.955 14.638 -14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.758 14.254 -13.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.420 15.004 -13.922 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.919 13.328 -16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.292 13.622 -15.800 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.853 11.956 -16.077 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.169 10.520 -13.723 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.722 9.148 -13.460 1.00 0.00 C ATOM 1180 C ALA A 75 -3.343 8.980 -11.975 1.00 0.00 C ATOM 1181 O ALA A 75 -3.675 7.962 -11.360 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.593 8.780 -14.431 1.00 0.00 C ATOM 0 H ALA A 75 -3.443 11.133 -14.094 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.534 8.444 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.262 7.760 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.957 8.852 -15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.757 9.466 -14.294 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.756 10.010 -11.339 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.471 9.982 -9.893 1.00 0.00 C ATOM 1190 C ILE A 76 -3.756 9.865 -9.053 1.00 0.00 C ATOM 1191 O ILE A 76 -3.737 9.252 -7.989 1.00 0.00 O ATOM 1192 CB ILE A 76 -1.630 11.181 -9.404 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.362 11.488 -10.231 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -1.263 10.924 -7.929 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.886 10.696 -9.839 1.00 0.00 C ATOM 0 H ILE A 76 -2.470 10.872 -11.804 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.869 9.086 -9.745 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.245 12.072 -9.529 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.579 11.295 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.139 12.551 -10.142 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.667 11.755 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.174 10.834 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.688 10.001 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.718 10.987 -10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.138 10.906 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.692 9.630 -9.957 1.00 0.00 H new ATOM 1207 N ARG A 77 -4.900 10.352 -9.550 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.238 10.102 -8.980 1.00 0.00 C ATOM 1209 C ARG A 77 -6.482 8.613 -8.687 1.00 0.00 C ATOM 1210 O ARG A 77 -7.014 8.263 -7.631 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.266 10.657 -9.974 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.707 10.630 -9.450 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.644 11.315 -10.443 1.00 0.00 C ATOM 1214 NE ARG A 77 -9.651 10.611 -11.735 1.00 0.00 N ATOM 1215 CZ ARG A 77 -9.862 11.109 -12.933 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -10.162 12.354 -13.164 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -9.753 10.317 -13.956 1.00 0.00 N ATOM 0 H ARG A 77 -4.926 10.945 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.327 10.602 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.999 11.684 -10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.214 10.080 -10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.024 9.599 -9.291 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.760 11.132 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.654 11.343 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.331 12.349 -10.590 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.469 9.608 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.246 13.011 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.313 12.673 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.509 9.336 -13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.911 10.676 -14.898 1.00 0.00 H new ATOM 1231 N SER A 78 -6.010 7.731 -9.568 1.00 0.00 N ATOM 1232 CA SER A 78 -5.981 6.281 -9.349 1.00 0.00 C ATOM 1233 C SER A 78 -4.812 5.818 -8.455 1.00 0.00 C ATOM 1234 O SER A 78 -5.023 4.963 -7.596 1.00 0.00 O ATOM 1235 CB SER A 78 -5.971 5.561 -10.697 1.00 0.00 C ATOM 1236 OG SER A 78 -7.210 5.723 -11.375 1.00 0.00 O ATOM 0 H SER A 78 -5.629 8.008 -10.473 1.00 0.00 H new ATOM 0 HA SER A 78 -6.885 6.017 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.162 5.951 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.773 4.500 -10.544 1.00 0.00 H new ATOM 0 HG SER A 78 -7.176 5.254 -12.235 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.622 6.440 -8.525 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.495 6.216 -7.577 1.00 0.00 C ATOM 1244 C LYS A 79 -2.694 6.846 -6.169 1.00 0.00 C ATOM 1245 O LYS A 79 -1.787 6.795 -5.335 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.142 6.504 -8.283 1.00 0.00 C ATOM 1247 CG LYS A 79 0.128 6.084 -7.508 1.00 0.00 C ATOM 1248 CD LYS A 79 1.288 5.537 -8.369 1.00 0.00 C ATOM 1249 CE LYS A 79 1.868 6.550 -9.367 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.931 5.964 -10.229 1.00 0.00 N ATOM 0 H LYS A 79 -3.404 7.124 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.476 5.159 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.141 5.994 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.082 7.573 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.491 6.946 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.149 5.323 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.086 5.198 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.936 4.664 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.065 6.933 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.277 7.399 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.287 6.690 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.712 5.622 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.538 5.170 -10.774 1.00 0.00 H new ATOM 1264 N LEU A 80 -3.895 7.351 -5.846 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.429 7.439 -4.470 1.00 0.00 C ATOM 1266 C LEU A 80 -5.583 6.444 -4.209 1.00 0.00 C ATOM 1267 O LEU A 80 -5.695 5.937 -3.094 1.00 0.00 O ATOM 1268 CB LEU A 80 -4.834 8.890 -4.077 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.738 9.837 -3.542 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.853 9.188 -2.480 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -2.849 10.390 -4.651 1.00 0.00 C ATOM 0 H LEU A 80 -4.539 7.719 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.605 7.147 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.280 9.360 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.615 8.823 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.288 10.658 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.103 9.904 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.467 8.881 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.357 8.315 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.096 11.049 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.356 9.566 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.458 10.950 -5.360 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.419 6.099 -5.195 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.576 5.214 -4.971 1.00 0.00 C ATOM 1285 C GLN A 81 -7.256 3.705 -4.963 1.00 0.00 C ATOM 1286 O GLN A 81 -7.849 2.996 -4.145 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.736 5.606 -5.903 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.485 6.797 -5.284 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.436 7.504 -6.240 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.652 7.410 -6.135 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -9.930 8.281 -7.167 1.00 0.00 N ATOM 0 H GLN A 81 -6.319 6.418 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.902 5.382 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.355 5.871 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.413 4.763 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.050 6.447 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.756 7.518 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.918 8.367 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.548 8.799 -7.791 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.262 3.204 -5.712 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.732 1.853 -5.446 1.00 0.00 C ATOM 1302 C TYR A 82 -5.048 1.813 -4.071 1.00 0.00 C ATOM 1303 O TYR A 82 -5.163 0.816 -3.356 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.805 1.327 -6.570 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.302 1.449 -6.328 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -2.659 0.643 -5.359 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.540 2.373 -7.065 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.303 0.837 -5.037 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.168 2.533 -6.785 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.555 1.794 -5.752 1.00 0.00 C ATOM 1311 OH TYR A 82 0.754 2.005 -5.474 1.00 0.00 O ATOM 0 H TYR A 82 -5.817 3.696 -6.487 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.582 1.170 -5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.039 0.276 -6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.047 1.861 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.218 -0.134 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.005 2.959 -7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.840 0.259 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.581 3.228 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 82 1.107 2.700 -6.068 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.370 2.907 -3.678 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.660 3.032 -2.395 1.00 0.00 C ATOM 1323 C ARG A 83 -4.630 2.952 -1.206 1.00 0.00 C ATOM 1324 O ARG A 83 -4.304 2.316 -0.210 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.823 4.332 -2.387 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.691 4.319 -1.345 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.405 3.638 -1.849 1.00 0.00 C ATOM 1328 NE ARG A 83 0.424 4.572 -2.632 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.669 4.409 -3.048 1.00 0.00 C ATOM 1330 NH1 ARG A 83 2.327 3.286 -3.024 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.302 5.445 -3.507 1.00 0.00 N ATOM 0 H ARG A 83 -4.300 3.744 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.976 2.191 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.394 4.486 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.481 5.178 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.461 5.345 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.038 3.805 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.168 3.264 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.664 2.776 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.018 5.456 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.882 2.442 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.287 3.250 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.838 6.353 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.263 5.351 -3.835 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.843 3.492 -1.345 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.946 3.346 -0.385 1.00 0.00 C ATOM 1347 C LEU A 84 -7.426 1.886 -0.252 1.00 0.00 C ATOM 1348 O LEU A 84 -7.591 1.381 0.860 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.069 4.305 -0.826 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.353 4.316 0.026 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.090 4.456 1.520 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.217 5.508 -0.383 1.00 0.00 C ATOM 0 H LEU A 84 -6.095 4.061 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.606 3.610 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.664 5.317 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.344 4.056 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.841 3.358 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.038 4.456 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.479 3.620 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.564 5.392 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.127 5.521 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.662 6.432 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.479 5.423 -1.438 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.605 1.173 -1.365 1.00 0.00 N ATOM 1365 CA GLU A 85 -7.919 -0.261 -1.384 1.00 0.00 C ATOM 1366 C GLU A 85 -6.798 -1.132 -0.787 1.00 0.00 C ATOM 1367 O GLU A 85 -7.079 -2.138 -0.137 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.226 -0.648 -2.839 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.011 -1.958 -2.945 1.00 0.00 C ATOM 1370 CD GLU A 85 -8.181 -3.255 -2.993 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -7.048 -3.240 -3.535 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -8.720 -4.326 -2.616 1.00 0.00 O ATOM 0 H GLU A 85 -7.535 1.581 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.784 -0.447 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.796 0.152 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.291 -0.743 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.690 -2.019 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.628 -1.914 -3.843 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.541 -0.707 -0.948 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.343 -1.379 -0.437 1.00 0.00 C ATOM 1382 C LEU A 86 -4.072 -1.055 1.045 1.00 0.00 C ATOM 1383 O LEU A 86 -3.588 -1.914 1.773 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.179 -1.021 -1.383 1.00 0.00 C ATOM 1385 CG LEU A 86 -1.855 -1.796 -1.255 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -0.930 -1.231 -0.177 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -2.014 -3.295 -1.036 1.00 0.00 C ATOM 0 H LEU A 86 -5.322 0.149 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.479 -2.460 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.535 -1.143 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.957 0.037 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.396 -1.654 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.015 -1.821 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.684 -0.196 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.431 -1.272 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.030 -3.758 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.572 -3.471 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.554 -3.730 -1.877 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.466 0.120 1.549 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.459 0.405 2.987 1.00 0.00 C ATOM 1401 C ALA A 87 -5.513 -0.440 3.727 1.00 0.00 C ATOM 1402 O ALA A 87 -5.189 -1.087 4.724 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.693 1.905 3.211 1.00 0.00 C ATOM 0 H ALA A 87 -4.797 0.895 0.975 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.486 0.134 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.688 2.118 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.901 2.474 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.657 2.190 2.789 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.735 -0.529 3.175 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.748 -1.524 3.579 1.00 0.00 C ATOM 1411 C GLN A 88 -7.221 -2.969 3.426 1.00 0.00 C ATOM 1412 O GLN A 88 -7.618 -3.859 4.181 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.027 -1.330 2.743 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.816 -0.051 3.085 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.898 0.231 2.043 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.072 -0.088 2.207 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.516 0.793 0.916 1.00 0.00 N ATOM 0 H GLN A 88 -7.052 0.091 2.430 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.975 -1.369 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.758 -1.306 1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.676 -2.194 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.274 -0.156 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.132 0.796 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.540 1.057 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.196 0.965 0.176 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.279 -3.164 2.496 1.00 0.00 N ATOM 1427 CA GLY A 89 -5.492 -4.367 2.224 1.00 0.00 C ATOM 1428 C GLY A 89 -4.607 -4.785 3.395 1.00 0.00 C ATOM 1429 O GLY A 89 -4.776 -5.855 3.980 1.00 0.00 O ATOM 0 H GLY A 89 -6.027 -2.411 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.167 -5.186 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.867 -4.194 1.348 1.00 0.00 H new ATOM 1433 N ALA A 90 -3.674 -3.910 3.769 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.655 -4.159 4.787 1.00 0.00 C ATOM 1435 C ALA A 90 -3.227 -4.231 6.216 1.00 0.00 C ATOM 1436 O ALA A 90 -2.717 -5.009 7.032 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.579 -3.077 4.639 1.00 0.00 C ATOM 0 H ALA A 90 -3.605 -2.979 3.358 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.219 -5.145 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.801 -3.233 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.142 -3.133 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.029 -2.095 4.784 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.308 -3.490 6.511 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.051 -3.648 7.783 1.00 0.00 C ATOM 1445 C VAL A 91 -5.919 -4.914 7.781 1.00 0.00 C ATOM 1446 O VAL A 91 -6.107 -5.540 8.822 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.867 -2.383 8.127 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.153 -2.235 7.311 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.228 -2.327 9.615 1.00 0.00 C ATOM 0 H VAL A 91 -4.690 -2.776 5.891 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.314 -3.774 8.576 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.207 -1.556 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.671 -1.323 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.907 -2.182 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.799 -3.094 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.802 -1.422 9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.824 -3.201 9.878 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.315 -2.318 10.211 1.00 0.00 H new