USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 662 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 57 GLN : amide:sc= 1.06 K(o=1.8,f=-0.55) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.755 K(o=1.8,f=-1.2!) USER MOD Set 2.1: A 44 MET CE :methyl -160:sc= -0.195 (180deg=-0.934) USER MOD Set 2.2: A 55 MET CE :methyl 180:sc= -0.0413 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.62 K(o=2.1,f=-1.1) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.439 K(o=2.1,f=-0.3!) USER MOD Single : A 17 HIS : no HD1:sc=-0.00306 X(o=-0.0031,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 129:sc= 1.28 (180deg=0.827) USER MOD Single : A 25 GLN : amide:sc= 1.11 K(o=1.1,f=-0.79) USER MOD Single : A 28 SER OG : rot -92:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.707 USER MOD Single : A 41 SER OG : rot -108:sc= 0.968 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -45:sc= -2.08 USER MOD Single : A 51 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.64) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 65 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.2) USER MOD Single : A 68 ASN : amide:sc= 0.469 K(o=0.47,f=-5.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 78 MET CE :methyl -141:sc= -0.0945 (180deg=-1.67) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.8) USER MOD Single : A 90 GLN : amide:sc= 0.104 K(o=0.1,f=-2.6!) USER MOD Single : B 358 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.44) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 -6.508 12.383 11.886 1.00 10.00 N ATOM 14 CA HIS A 17 -6.286 11.034 11.379 1.00 10.00 C ATOM 15 C HIS A 17 -7.200 10.734 10.197 1.00 10.00 C ATOM 16 O HIS A 17 -8.338 11.201 10.149 1.00 10.00 O ATOM 17 CB HIS A 17 -6.526 10.004 12.484 1.00 10.00 C ATOM 18 CG HIS A 17 -5.380 9.845 13.436 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.509 10.158 14.768 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.125 9.388 13.208 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.340 9.881 15.319 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.471 9.415 14.413 1.00 10.00 N ATOM 0 HA HIS A 17 -5.251 10.971 11.044 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.414 10.292 13.047 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.739 9.039 12.025 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.719 9.065 12.261 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.114 10.014 16.367 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.506 9.134 14.586 1.00 10.00 H new ATOM 30 N ILE A 18 -6.698 9.952 9.253 1.00 10.00 N ATOM 31 CA ILE A 18 -7.468 9.573 8.079 1.00 10.00 C ATOM 32 C ILE A 18 -7.644 8.054 8.049 1.00 10.00 C ATOM 33 O ILE A 18 -6.712 7.308 8.352 1.00 10.00 O ATOM 34 CB ILE A 18 -6.799 10.075 6.772 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.694 9.790 5.565 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.423 9.447 6.583 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.248 10.495 4.303 1.00 10.00 C ATOM 0 H ILE A 18 -5.754 9.566 9.278 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.448 10.047 8.142 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.666 11.154 6.855 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.714 8.715 5.384 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.714 10.093 5.800 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.978 9.817 5.659 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.784 9.711 7.425 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.522 8.363 6.529 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.928 10.247 3.488 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.255 11.573 4.467 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.239 10.174 4.044 1.00 10.00 H new ATOM 49 N ASN A 19 -8.845 7.600 7.721 1.00 10.00 N ATOM 50 CA ASN A 19 -9.133 6.172 7.677 1.00 10.00 C ATOM 51 C ASN A 19 -9.021 5.637 6.259 1.00 10.00 C ATOM 52 O ASN A 19 -9.957 5.746 5.464 1.00 10.00 O ATOM 53 CB ASN A 19 -10.533 5.884 8.232 1.00 10.00 C ATOM 54 CG ASN A 19 -10.707 6.349 9.666 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.497 5.586 10.613 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.092 7.604 9.836 1.00 10.00 N ATOM 0 H ASN A 19 -9.636 8.198 7.482 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.395 5.666 8.299 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.276 6.375 7.603 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.727 4.813 8.177 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.226 7.973 10.777 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.255 8.202 9.026 1.00 10.00 H new ATOM 63 N LEU A 20 -7.864 5.078 5.941 1.00 10.00 N ATOM 64 CA LEU A 20 -7.629 4.509 4.624 1.00 10.00 C ATOM 65 C LEU A 20 -7.907 3.011 4.656 1.00 10.00 C ATOM 66 O LEU A 20 -7.353 2.291 5.480 1.00 10.00 O ATOM 67 CB LEU A 20 -6.189 4.779 4.175 1.00 10.00 C ATOM 68 CG LEU A 20 -5.818 6.259 4.051 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.340 6.413 3.731 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.669 6.935 2.987 1.00 10.00 C ATOM 0 H LEU A 20 -7.071 5.006 6.579 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.303 4.979 3.907 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.509 4.307 4.884 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.029 4.297 3.210 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.015 6.744 5.007 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.094 7.472 3.646 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.747 5.965 4.528 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.118 5.913 2.788 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.391 7.986 2.913 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.505 6.448 2.026 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.722 6.856 3.259 1.00 10.00 H new ATOM 82 N LYS A 21 -8.763 2.542 3.765 1.00 10.00 N ATOM 83 CA LYS A 21 -9.118 1.131 3.733 1.00 10.00 C ATOM 84 C LYS A 21 -8.342 0.388 2.656 1.00 10.00 C ATOM 85 O LYS A 21 -8.367 0.763 1.484 1.00 10.00 O ATOM 86 CB LYS A 21 -10.621 0.972 3.505 1.00 10.00 C ATOM 87 CG LYS A 21 -11.457 1.277 4.738 1.00 10.00 C ATOM 88 CD LYS A 21 -12.942 1.141 4.450 1.00 10.00 C ATOM 89 CE LYS A 21 -13.764 1.195 5.727 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.222 1.204 5.441 1.00 10.00 N ATOM 0 H LYS A 21 -9.224 3.113 3.057 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.853 0.696 4.697 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -10.929 1.632 2.694 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.825 -0.048 3.180 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.178 0.599 5.545 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.243 2.289 5.083 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.258 1.939 3.779 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.129 0.199 3.935 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -13.521 0.336 6.353 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.499 2.088 6.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.691 0.467 6.005 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.618 2.133 5.688 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.379 1.018 4.430 1.00 10.00 H new ATOM 104 N VAL A 22 -7.648 -0.662 3.065 1.00 10.00 N ATOM 105 CA VAL A 22 -6.870 -1.478 2.147 1.00 10.00 C ATOM 106 C VAL A 22 -7.510 -2.855 2.035 1.00 10.00 C ATOM 107 O VAL A 22 -7.516 -3.625 2.997 1.00 10.00 O ATOM 108 CB VAL A 22 -5.405 -1.623 2.617 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.626 -2.551 1.697 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.731 -0.261 2.698 1.00 10.00 C ATOM 0 H VAL A 22 -7.608 -0.971 4.036 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.862 -0.985 1.175 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.413 -2.064 3.614 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.598 -2.635 2.051 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.091 -3.537 1.696 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.629 -2.147 0.685 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.700 -0.384 3.031 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.741 0.209 1.715 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.268 0.369 3.407 1.00 10.00 H new ATOM 120 N ALA A 23 -8.054 -3.157 0.868 1.00 10.00 N ATOM 121 CA ALA A 23 -8.717 -4.432 0.654 1.00 10.00 C ATOM 122 C ALA A 23 -7.910 -5.333 -0.267 1.00 10.00 C ATOM 123 O ALA A 23 -7.327 -4.875 -1.251 1.00 10.00 O ATOM 124 CB ALA A 23 -10.110 -4.206 0.087 1.00 10.00 C ATOM 0 H ALA A 23 -8.050 -2.539 0.057 1.00 10.00 H new ATOM 0 HA ALA A 23 -8.800 -4.935 1.618 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.599 -5.167 -0.070 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.696 -3.611 0.788 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.035 -3.678 -0.863 1.00 10.00 H new ATOM 130 N GLY A 24 -7.875 -6.615 0.067 1.00 10.00 N ATOM 131 CA GLY A 24 -7.156 -7.575 -0.744 1.00 10.00 C ATOM 132 C GLY A 24 -8.052 -8.178 -1.809 1.00 10.00 C ATOM 133 O GLY A 24 -9.172 -7.708 -2.023 1.00 10.00 O ATOM 0 H GLY A 24 -8.334 -7.008 0.889 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.303 -7.088 -1.217 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.760 -8.367 -0.108 1.00 10.00 H new ATOM 137 N GLN A 25 -7.580 -9.228 -2.466 1.00 10.00 N ATOM 138 CA GLN A 25 -8.361 -9.882 -3.512 1.00 10.00 C ATOM 139 C GLN A 25 -9.169 -11.035 -2.930 1.00 10.00 C ATOM 140 O GLN A 25 -9.857 -11.759 -3.652 1.00 10.00 O ATOM 141 CB GLN A 25 -7.446 -10.386 -4.637 1.00 10.00 C ATOM 142 CG GLN A 25 -6.581 -9.297 -5.255 1.00 10.00 C ATOM 143 CD GLN A 25 -7.395 -8.126 -5.765 1.00 10.00 C ATOM 144 OE1 GLN A 25 -8.522 -8.291 -6.225 1.00 10.00 O ATOM 145 NE2 GLN A 25 -6.833 -6.936 -5.673 1.00 10.00 N ATOM 0 H GLN A 25 -6.665 -9.645 -2.296 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.051 -9.150 -3.932 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.800 -11.171 -4.244 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.059 -10.838 -5.417 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.866 -8.942 -4.513 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.004 -9.719 -6.078 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -5.894 -6.844 -5.284 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.337 -6.108 -5.991 1.00 10.00 H new ATOM 154 N ASP A 26 -9.084 -11.192 -1.615 1.00 10.00 N ATOM 155 CA ASP A 26 -9.801 -12.249 -0.917 1.00 10.00 C ATOM 156 C ASP A 26 -11.007 -11.683 -0.163 1.00 10.00 C ATOM 157 O ASP A 26 -12.130 -11.734 -0.663 1.00 10.00 O ATOM 158 CB ASP A 26 -8.859 -13.003 0.037 1.00 10.00 C ATOM 159 CG ASP A 26 -7.924 -12.087 0.805 1.00 10.00 C ATOM 160 OD1 ASP A 26 -6.813 -11.816 0.310 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.309 -11.629 1.902 1.00 10.00 O ATOM 0 H ASP A 26 -8.521 -10.596 -1.008 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.172 -12.957 -1.658 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.455 -13.579 0.745 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.267 -13.717 -0.536 1.00 10.00 H new ATOM 166 N GLY A 27 -10.774 -11.147 1.029 1.00 10.00 N ATOM 167 CA GLY A 27 -11.853 -10.576 1.812 1.00 10.00 C ATOM 168 C GLY A 27 -11.348 -9.849 3.044 1.00 10.00 C ATOM 169 O GLY A 27 -12.092 -9.632 3.999 1.00 10.00 O ATOM 0 H GLY A 27 -9.855 -11.098 1.468 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.422 -9.883 1.192 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.537 -11.368 2.115 1.00 10.00 H new ATOM 173 N SER A 28 -10.078 -9.481 3.025 1.00 10.00 N ATOM 174 CA SER A 28 -9.476 -8.769 4.135 1.00 10.00 C ATOM 175 C SER A 28 -9.484 -7.271 3.848 1.00 10.00 C ATOM 176 O SER A 28 -9.045 -6.842 2.777 1.00 10.00 O ATOM 177 CB SER A 28 -8.044 -9.267 4.349 1.00 10.00 C ATOM 178 OG SER A 28 -7.390 -9.474 3.107 1.00 10.00 O ATOM 0 H SER A 28 -9.443 -9.666 2.248 1.00 10.00 H new ATOM 0 HA SER A 28 -10.050 -8.954 5.043 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.487 -8.541 4.942 1.00 10.00 H new ATOM 0 HB3 SER A 28 -8.059 -10.198 4.916 1.00 10.00 H new ATOM 0 HG SER A 28 -7.510 -10.405 2.825 1.00 10.00 H new ATOM 184 N VAL A 29 -10.001 -6.475 4.777 1.00 10.00 N ATOM 185 CA VAL A 29 -10.047 -5.030 4.575 1.00 10.00 C ATOM 186 C VAL A 29 -9.500 -4.309 5.795 1.00 10.00 C ATOM 187 O VAL A 29 -10.254 -3.926 6.680 1.00 10.00 O ATOM 188 CB VAL A 29 -11.480 -4.515 4.290 1.00 10.00 C ATOM 189 CG1 VAL A 29 -11.436 -3.077 3.787 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.200 -5.412 3.290 1.00 10.00 C ATOM 0 H VAL A 29 -10.388 -6.798 5.664 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.431 -4.819 3.701 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.041 -4.541 5.224 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -12.450 -2.729 3.591 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.974 -2.441 4.542 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -10.853 -3.031 2.867 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.203 -5.025 3.110 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -11.645 -5.430 2.352 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.268 -6.423 3.691 1.00 10.00 H new ATOM 200 N VAL A 30 -8.189 -4.130 5.841 1.00 10.00 N ATOM 201 CA VAL A 30 -7.557 -3.461 6.970 1.00 10.00 C ATOM 202 C VAL A 30 -7.763 -1.953 6.888 1.00 10.00 C ATOM 203 O VAL A 30 -7.936 -1.395 5.801 1.00 10.00 O ATOM 204 CB VAL A 30 -6.051 -3.785 7.064 1.00 10.00 C ATOM 205 CG1 VAL A 30 -5.847 -5.262 7.362 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.328 -3.390 5.786 1.00 10.00 C ATOM 0 H VAL A 30 -7.543 -4.437 5.113 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.036 -3.838 7.874 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.626 -3.203 7.882 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.780 -5.476 7.426 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.324 -5.511 8.310 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.290 -5.859 6.565 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.269 -3.629 5.879 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -5.751 -3.938 4.944 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.445 -2.319 5.618 1.00 10.00 H new ATOM 216 N GLN A 31 -7.740 -1.298 8.036 1.00 10.00 N ATOM 217 CA GLN A 31 -7.955 0.134 8.102 1.00 10.00 C ATOM 218 C GLN A 31 -6.695 0.848 8.578 1.00 10.00 C ATOM 219 O GLN A 31 -6.261 0.684 9.715 1.00 10.00 O ATOM 220 CB GLN A 31 -9.125 0.434 9.039 1.00 10.00 C ATOM 221 CG GLN A 31 -9.689 1.838 8.913 1.00 10.00 C ATOM 222 CD GLN A 31 -11.157 1.900 9.289 1.00 10.00 C ATOM 223 OE1 GLN A 31 -11.914 0.964 9.034 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.570 2.997 9.901 1.00 10.00 N ATOM 0 H GLN A 31 -7.573 -1.740 8.940 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.193 0.501 7.104 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -9.923 -0.283 8.845 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -8.800 0.278 10.067 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.123 2.514 9.553 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -9.563 2.188 7.889 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.912 3.751 10.095 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.547 3.089 10.179 1.00 10.00 H new ATOM 233 N PHE A 32 -6.103 1.628 7.700 1.00 10.00 N ATOM 234 CA PHE A 32 -4.904 2.367 8.035 1.00 10.00 C ATOM 235 C PHE A 32 -5.270 3.747 8.550 1.00 10.00 C ATOM 236 O PHE A 32 -5.565 4.655 7.776 1.00 10.00 O ATOM 237 CB PHE A 32 -3.985 2.473 6.822 1.00 10.00 C ATOM 238 CG PHE A 32 -3.056 1.306 6.679 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.418 0.203 5.924 1.00 10.00 C ATOM 240 CD2 PHE A 32 -1.824 1.310 7.308 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.561 -0.872 5.793 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.965 0.240 7.180 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.334 -0.855 6.425 1.00 10.00 C ATOM 0 H PHE A 32 -6.433 1.768 6.745 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.370 1.832 8.820 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.592 2.558 5.921 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.398 3.388 6.898 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.380 0.183 5.433 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.532 2.161 7.906 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.850 -1.725 5.197 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.003 0.258 7.670 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.664 -1.697 6.329 1.00 10.00 H new ATOM 253 N LYS A 33 -5.263 3.890 9.864 1.00 10.00 N ATOM 254 CA LYS A 33 -5.598 5.152 10.496 1.00 10.00 C ATOM 255 C LYS A 33 -4.323 5.954 10.721 1.00 10.00 C ATOM 256 O LYS A 33 -3.814 6.046 11.835 1.00 10.00 O ATOM 257 CB LYS A 33 -6.331 4.894 11.816 1.00 10.00 C ATOM 258 CG LYS A 33 -6.847 6.148 12.499 1.00 10.00 C ATOM 259 CD LYS A 33 -7.348 5.835 13.898 1.00 10.00 C ATOM 260 CE LYS A 33 -7.794 7.088 14.628 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.219 6.799 16.023 1.00 10.00 N ATOM 0 H LYS A 33 -5.027 3.142 10.516 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.261 5.728 9.850 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.171 4.225 11.627 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.657 4.375 12.497 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.052 6.892 12.551 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.653 6.583 11.908 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.180 5.133 13.838 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.558 5.345 14.466 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.978 7.810 14.640 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.620 7.549 14.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -8.516 7.682 16.485 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.015 6.130 16.012 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -7.424 6.383 16.549 1.00 10.00 H new ATOM 275 N ILE A 34 -3.794 6.509 9.647 1.00 10.00 N ATOM 276 CA ILE A 34 -2.567 7.285 9.713 1.00 10.00 C ATOM 277 C ILE A 34 -2.853 8.775 9.572 1.00 10.00 C ATOM 278 O ILE A 34 -4.009 9.201 9.586 1.00 10.00 O ATOM 279 CB ILE A 34 -1.570 6.852 8.613 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.201 7.001 7.221 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.119 5.414 8.842 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.196 6.954 6.090 1.00 10.00 C ATOM 0 H ILE A 34 -4.197 6.437 8.713 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.122 7.096 10.690 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.697 7.503 8.665 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -2.934 6.207 7.077 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.742 7.946 7.176 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.418 5.124 8.060 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.631 5.336 9.814 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.985 4.753 8.816 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.714 7.066 5.138 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.477 7.764 6.209 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.672 5.998 6.108 1.00 10.00 H new ATOM 294 N LYS A 35 -1.797 9.564 9.451 1.00 10.00 N ATOM 295 CA LYS A 35 -1.933 11.002 9.289 1.00 10.00 C ATOM 296 C LYS A 35 -1.778 11.361 7.816 1.00 10.00 C ATOM 297 O LYS A 35 -1.183 10.606 7.047 1.00 10.00 O ATOM 298 CB LYS A 35 -0.900 11.738 10.145 1.00 10.00 C ATOM 299 CG LYS A 35 -1.129 11.577 11.643 1.00 10.00 C ATOM 300 CD LYS A 35 -0.018 12.218 12.460 1.00 10.00 C ATOM 301 CE LYS A 35 -0.325 12.165 13.950 1.00 10.00 C ATOM 302 NZ LYS A 35 0.722 12.837 14.766 1.00 10.00 N ATOM 0 H LYS A 35 -0.833 9.231 9.462 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.922 11.312 9.625 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.095 11.370 9.896 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.920 12.798 9.894 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.084 12.026 11.914 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.194 10.517 11.888 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.924 11.706 12.262 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.112 13.255 12.150 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.289 12.639 14.137 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.415 11.125 14.263 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.470 12.775 15.773 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.638 12.370 14.609 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.791 13.836 14.487 1.00 10.00 H new ATOM 316 N ARG A 36 -2.302 12.513 7.423 1.00 10.00 N ATOM 317 CA ARG A 36 -2.237 12.945 6.029 1.00 10.00 C ATOM 318 C ARG A 36 -0.804 13.211 5.580 1.00 10.00 C ATOM 319 O ARG A 36 -0.511 13.185 4.384 1.00 10.00 O ATOM 320 CB ARG A 36 -3.088 14.196 5.818 1.00 10.00 C ATOM 321 CG ARG A 36 -4.556 13.998 6.151 1.00 10.00 C ATOM 322 CD ARG A 36 -5.400 15.159 5.652 1.00 10.00 C ATOM 323 NE ARG A 36 -6.217 14.784 4.499 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.515 14.486 4.571 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.154 14.556 5.733 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.177 14.125 3.478 1.00 10.00 N ATOM 0 H ARG A 36 -2.777 13.166 8.046 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.631 12.131 5.420 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.691 15.003 6.433 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.000 14.514 4.779 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.910 13.070 5.703 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.675 13.897 7.230 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.047 15.510 6.456 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.749 15.990 5.381 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.767 14.748 3.584 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.652 14.839 6.575 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.147 14.327 5.784 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -7.693 14.075 2.582 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.170 13.897 3.535 1.00 10.00 H new ATOM 340 N HIS A 37 0.085 13.449 6.535 1.00 10.00 N ATOM 341 CA HIS A 37 1.485 13.731 6.226 1.00 10.00 C ATOM 342 C HIS A 37 2.340 12.470 6.324 1.00 10.00 C ATOM 343 O HIS A 37 3.561 12.536 6.195 1.00 10.00 O ATOM 344 CB HIS A 37 2.063 14.809 7.158 1.00 10.00 C ATOM 345 CG HIS A 37 1.128 15.285 8.226 1.00 10.00 C ATOM 346 ND1 HIS A 37 0.855 14.522 9.334 1.00 10.00 N ATOM 347 CD2 HIS A 37 0.431 16.442 8.303 1.00 10.00 C ATOM 348 CE1 HIS A 37 0.004 15.230 10.058 1.00 10.00 C ATOM 349 NE2 HIS A 37 -0.282 16.397 9.471 1.00 10.00 N ATOM 0 H HIS A 37 -0.136 13.453 7.531 1.00 10.00 H new ATOM 0 HA HIS A 37 1.511 14.101 5.201 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.962 14.415 7.632 1.00 10.00 H new ATOM 0 HB3 HIS A 37 2.369 15.664 6.555 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.436 17.246 7.582 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -0.407 14.907 11.003 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -0.912 17.117 9.826 1.00 10.00 H new ATOM 357 N THR A 38 1.705 11.326 6.554 1.00 10.00 N ATOM 358 CA THR A 38 2.431 10.070 6.664 1.00 10.00 C ATOM 359 C THR A 38 2.604 9.435 5.284 1.00 10.00 C ATOM 360 O THR A 38 1.622 9.089 4.627 1.00 10.00 O ATOM 361 CB THR A 38 1.706 9.093 7.607 1.00 10.00 C ATOM 362 OG1 THR A 38 1.326 9.783 8.805 1.00 10.00 O ATOM 363 CG2 THR A 38 2.596 7.907 7.957 1.00 10.00 C ATOM 0 H THR A 38 0.695 11.244 6.667 1.00 10.00 H new ATOM 0 HA THR A 38 3.414 10.284 7.083 1.00 10.00 H new ATOM 0 HB THR A 38 0.819 8.714 7.099 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.161 9.132 9.519 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.059 7.233 8.624 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.868 7.375 7.046 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.499 8.264 8.452 1.00 10.00 H new ATOM 371 N PRO A 39 3.859 9.308 4.817 1.00 10.00 N ATOM 372 CA PRO A 39 4.175 8.723 3.506 1.00 10.00 C ATOM 373 C PRO A 39 3.546 7.348 3.305 1.00 10.00 C ATOM 374 O PRO A 39 3.645 6.471 4.167 1.00 10.00 O ATOM 375 CB PRO A 39 5.702 8.618 3.524 1.00 10.00 C ATOM 376 CG PRO A 39 6.140 9.670 4.477 1.00 10.00 C ATOM 377 CD PRO A 39 5.075 9.737 5.533 1.00 10.00 C ATOM 0 HA PRO A 39 3.783 9.329 2.689 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.027 7.629 3.848 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.122 8.782 2.532 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.108 9.423 4.913 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.253 10.630 3.974 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.300 9.080 6.373 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.970 10.745 5.935 1.00 10.00 H new ATOM 385 N LEU A 40 2.919 7.162 2.147 1.00 10.00 N ATOM 386 CA LEU A 40 2.260 5.904 1.816 1.00 10.00 C ATOM 387 C LEU A 40 3.278 4.780 1.639 1.00 10.00 C ATOM 388 O LEU A 40 2.918 3.604 1.622 1.00 10.00 O ATOM 389 CB LEU A 40 1.417 6.059 0.546 1.00 10.00 C ATOM 390 CG LEU A 40 0.198 6.972 0.686 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.478 7.169 -0.658 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.788 6.404 1.695 1.00 10.00 C ATOM 0 H LEU A 40 2.854 7.872 1.418 1.00 10.00 H new ATOM 0 HA LEU A 40 1.603 5.641 2.645 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.053 6.447 -0.249 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.079 5.072 0.230 1.00 10.00 H new ATOM 0 HG LEU A 40 0.540 7.941 1.048 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.343 7.821 -0.538 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.225 7.623 -1.356 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.803 6.204 -1.047 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.647 7.070 1.779 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.122 5.421 1.364 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.303 6.314 2.667 1.00 10.00 H new ATOM 404 N SER A 41 4.547 5.151 1.525 1.00 10.00 N ATOM 405 CA SER A 41 5.623 4.185 1.369 1.00 10.00 C ATOM 406 C SER A 41 5.677 3.252 2.575 1.00 10.00 C ATOM 407 O SER A 41 5.788 2.032 2.431 1.00 10.00 O ATOM 408 CB SER A 41 6.949 4.927 1.215 1.00 10.00 C ATOM 409 OG SER A 41 6.816 6.268 1.658 1.00 10.00 O ATOM 0 H SER A 41 4.856 6.123 1.538 1.00 10.00 H new ATOM 0 HA SER A 41 5.440 3.583 0.479 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.725 4.422 1.790 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.264 4.911 0.172 1.00 10.00 H new ATOM 0 HG SER A 41 6.830 6.871 0.885 1.00 10.00 H new ATOM 415 N LYS A 42 5.572 3.831 3.766 1.00 10.00 N ATOM 416 CA LYS A 42 5.597 3.053 4.996 1.00 10.00 C ATOM 417 C LYS A 42 4.275 2.318 5.175 1.00 10.00 C ATOM 418 O LYS A 42 4.228 1.230 5.746 1.00 10.00 O ATOM 419 CB LYS A 42 5.892 3.956 6.196 1.00 10.00 C ATOM 420 CG LYS A 42 7.361 4.328 6.308 1.00 10.00 C ATOM 421 CD LYS A 42 7.603 5.400 7.358 1.00 10.00 C ATOM 422 CE LYS A 42 9.088 5.715 7.479 1.00 10.00 C ATOM 423 NZ LYS A 42 9.356 6.838 8.414 1.00 10.00 N ATOM 0 H LYS A 42 5.469 4.836 3.904 1.00 10.00 H new ATOM 0 HA LYS A 42 6.395 2.313 4.931 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.297 4.866 6.115 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.579 3.451 7.110 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.941 3.440 6.558 1.00 10.00 H new ATOM 0 HG3 LYS A 42 7.719 4.681 5.341 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.055 6.305 7.093 1.00 10.00 H new ATOM 0 HD3 LYS A 42 7.218 5.065 8.321 1.00 10.00 H new ATOM 0 HE2 LYS A 42 9.618 4.826 7.822 1.00 10.00 H new ATOM 0 HE3 LYS A 42 9.485 5.963 6.495 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 10.380 7.013 8.462 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.873 7.695 8.075 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.002 6.593 9.361 1.00 10.00 H new ATOM 437 N LEU A 43 3.207 2.916 4.658 1.00 10.00 N ATOM 438 CA LEU A 43 1.879 2.315 4.726 1.00 10.00 C ATOM 439 C LEU A 43 1.873 1.008 3.944 1.00 10.00 C ATOM 440 O LEU A 43 1.359 -0.012 4.405 1.00 10.00 O ATOM 441 CB LEU A 43 0.829 3.285 4.160 1.00 10.00 C ATOM 442 CG LEU A 43 -0.594 2.728 4.022 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.614 3.787 4.402 1.00 10.00 C ATOM 444 CD2 LEU A 43 -0.848 2.240 2.601 1.00 10.00 C ATOM 0 H LEU A 43 3.235 3.820 4.186 1.00 10.00 H new ATOM 0 HA LEU A 43 1.629 2.108 5.767 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.793 4.165 4.802 1.00 10.00 H new ATOM 0 HB3 LEU A 43 1.164 3.620 3.178 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.696 1.881 4.700 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.619 3.378 4.299 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.451 4.095 5.435 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.505 4.650 3.745 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -1.863 1.849 2.526 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -0.726 3.069 1.904 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.137 1.452 2.354 1.00 10.00 H new ATOM 456 N MET A 44 2.463 1.052 2.755 1.00 10.00 N ATOM 457 CA MET A 44 2.548 -0.117 1.894 1.00 10.00 C ATOM 458 C MET A 44 3.403 -1.195 2.545 1.00 10.00 C ATOM 459 O MET A 44 3.081 -2.382 2.478 1.00 10.00 O ATOM 460 CB MET A 44 3.130 0.261 0.528 1.00 10.00 C ATOM 461 CG MET A 44 2.195 1.104 -0.321 1.00 10.00 C ATOM 462 SD MET A 44 2.821 1.381 -1.991 1.00 10.00 S ATOM 463 CE MET A 44 3.926 2.763 -1.722 1.00 10.00 C ATOM 0 H MET A 44 2.892 1.892 2.365 1.00 10.00 H new ATOM 0 HA MET A 44 1.541 -0.507 1.748 1.00 10.00 H new ATOM 0 HB2 MET A 44 4.062 0.807 0.678 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.378 -0.650 -0.016 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.223 0.613 -0.379 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.037 2.066 0.167 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.110 3.271 -2.669 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.472 3.460 -1.018 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.870 2.400 -1.315 1.00 10.00 H new ATOM 473 N LYS A 45 4.491 -0.774 3.185 1.00 10.00 N ATOM 474 CA LYS A 45 5.392 -1.703 3.855 1.00 10.00 C ATOM 475 C LYS A 45 4.703 -2.374 5.037 1.00 10.00 C ATOM 476 O LYS A 45 4.891 -3.563 5.271 1.00 10.00 O ATOM 477 CB LYS A 45 6.664 -0.991 4.320 1.00 10.00 C ATOM 478 CG LYS A 45 7.591 -0.609 3.178 1.00 10.00 C ATOM 479 CD LYS A 45 8.977 -0.231 3.677 1.00 10.00 C ATOM 480 CE LYS A 45 8.953 1.039 4.515 1.00 10.00 C ATOM 481 NZ LYS A 45 10.316 1.429 4.966 1.00 10.00 N ATOM 0 H LYS A 45 4.769 0.205 3.253 1.00 10.00 H new ATOM 0 HA LYS A 45 5.670 -2.473 3.135 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.388 -0.092 4.871 1.00 10.00 H new ATOM 0 HB3 LYS A 45 7.201 -1.638 5.014 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.671 -1.443 2.480 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.163 0.228 2.627 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.385 -1.049 4.270 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.643 -0.092 2.826 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.517 1.851 3.933 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.312 0.889 5.384 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.258 2.298 5.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.723 0.665 5.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.921 1.597 4.137 1.00 10.00 H new ATOM 495 N ALA A 46 3.900 -1.610 5.773 1.00 10.00 N ATOM 496 CA ALA A 46 3.178 -2.143 6.924 1.00 10.00 C ATOM 497 C ALA A 46 2.294 -3.315 6.507 1.00 10.00 C ATOM 498 O ALA A 46 2.294 -4.368 7.150 1.00 10.00 O ATOM 499 CB ALA A 46 2.346 -1.053 7.578 1.00 10.00 C ATOM 0 H ALA A 46 3.733 -0.620 5.593 1.00 10.00 H new ATOM 0 HA ALA A 46 3.905 -2.505 7.650 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.814 -1.466 8.435 1.00 10.00 H new ATOM 0 HB2 ALA A 46 3.000 -0.247 7.911 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.627 -0.663 6.858 1.00 10.00 H new ATOM 505 N TYR A 47 1.548 -3.130 5.422 1.00 10.00 N ATOM 506 CA TYR A 47 0.677 -4.180 4.908 1.00 10.00 C ATOM 507 C TYR A 47 1.519 -5.342 4.390 1.00 10.00 C ATOM 508 O TYR A 47 1.149 -6.509 4.527 1.00 10.00 O ATOM 509 CB TYR A 47 -0.215 -3.633 3.790 1.00 10.00 C ATOM 510 CG TYR A 47 -1.265 -4.611 3.307 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.166 -5.205 2.054 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.353 -4.945 4.105 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.120 -6.099 1.610 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.313 -5.840 3.666 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.191 -6.413 2.419 1.00 10.00 C ATOM 516 OH TYR A 47 -4.141 -7.304 1.978 1.00 10.00 O ATOM 0 H TYR A 47 1.530 -2.264 4.883 1.00 10.00 H new ATOM 0 HA TYR A 47 0.038 -4.536 5.716 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.710 -2.729 4.144 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.413 -3.344 2.947 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.328 -4.963 1.417 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.451 -4.499 5.084 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.027 -6.550 0.633 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.153 -6.088 4.298 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.828 -7.417 2.667 1.00 10.00 H new ATOM 526 N CYS A 48 2.662 -5.000 3.808 1.00 10.00 N ATOM 527 CA CYS A 48 3.589 -5.982 3.269 1.00 10.00 C ATOM 528 C CYS A 48 4.098 -6.912 4.369 1.00 10.00 C ATOM 529 O CYS A 48 4.137 -8.131 4.196 1.00 10.00 O ATOM 530 CB CYS A 48 4.763 -5.267 2.599 1.00 10.00 C ATOM 531 SG CYS A 48 5.990 -6.368 1.866 1.00 10.00 S ATOM 0 H CYS A 48 2.970 -4.034 3.697 1.00 10.00 H new ATOM 0 HA CYS A 48 3.064 -6.587 2.530 1.00 10.00 H new ATOM 0 HB2 CYS A 48 4.375 -4.608 1.823 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.256 -4.634 3.337 1.00 10.00 H new ATOM 0 HG CYS A 48 6.261 -7.330 2.697 1.00 10.00 H new ATOM 537 N GLU A 49 4.479 -6.331 5.503 1.00 10.00 N ATOM 538 CA GLU A 49 4.982 -7.106 6.633 1.00 10.00 C ATOM 539 C GLU A 49 3.876 -7.990 7.201 1.00 10.00 C ATOM 540 O GLU A 49 4.123 -9.114 7.632 1.00 10.00 O ATOM 541 CB GLU A 49 5.518 -6.179 7.726 1.00 10.00 C ATOM 542 CG GLU A 49 6.539 -5.168 7.225 1.00 10.00 C ATOM 543 CD GLU A 49 7.875 -5.787 6.861 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.911 -5.282 7.340 1.00 10.00 O ATOM 545 OE2 GLU A 49 7.902 -6.770 6.093 1.00 10.00 O ATOM 0 H GLU A 49 4.449 -5.324 5.664 1.00 10.00 H new ATOM 0 HA GLU A 49 5.797 -7.737 6.279 1.00 10.00 H new ATOM 0 HB2 GLU A 49 4.683 -5.645 8.179 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.973 -6.783 8.511 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.134 -4.657 6.351 1.00 10.00 H new ATOM 0 HG3 GLU A 49 6.696 -4.411 7.993 1.00 10.00 H new ATOM 552 N ARG A 50 2.652 -7.469 7.187 1.00 10.00 N ATOM 553 CA ARG A 50 1.493 -8.203 7.688 1.00 10.00 C ATOM 554 C ARG A 50 1.231 -9.437 6.833 1.00 10.00 C ATOM 555 O ARG A 50 0.895 -10.504 7.345 1.00 10.00 O ATOM 556 CB ARG A 50 0.249 -7.308 7.690 1.00 10.00 C ATOM 557 CG ARG A 50 0.218 -6.291 8.820 1.00 10.00 C ATOM 558 CD ARG A 50 -0.184 -6.930 10.140 1.00 10.00 C ATOM 559 NE ARG A 50 -0.572 -5.931 11.134 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.819 -5.483 11.287 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.787 -5.932 10.498 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.101 -4.580 12.218 1.00 10.00 N ATOM 0 H ARG A 50 2.436 -6.537 6.833 1.00 10.00 H new ATOM 0 HA ARG A 50 1.708 -8.516 8.710 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.193 -6.780 6.738 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -0.638 -7.937 7.758 1.00 10.00 H new ATOM 0 HG2 ARG A 50 1.201 -5.831 8.923 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -0.483 -5.494 8.573 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.014 -7.617 9.973 1.00 10.00 H new ATOM 0 HD3 ARG A 50 0.647 -7.521 10.525 1.00 10.00 H new ATOM 0 HE ARG A 50 0.152 -5.555 11.746 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.577 -6.620 9.775 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.741 -5.589 10.615 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.361 -4.223 12.823 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.057 -4.243 12.328 1.00 10.00 H new ATOM 576 N GLN A 51 1.402 -9.283 5.528 1.00 10.00 N ATOM 577 CA GLN A 51 1.176 -10.374 4.594 1.00 10.00 C ATOM 578 C GLN A 51 2.358 -11.334 4.576 1.00 10.00 C ATOM 579 O GLN A 51 2.239 -12.463 4.100 1.00 10.00 O ATOM 580 CB GLN A 51 0.912 -9.829 3.191 1.00 10.00 C ATOM 581 CG GLN A 51 -0.487 -9.264 3.022 1.00 10.00 C ATOM 582 CD GLN A 51 -1.553 -10.339 3.079 1.00 10.00 C ATOM 583 OE1 GLN A 51 -2.020 -10.712 4.158 1.00 10.00 O ATOM 584 NE2 GLN A 51 -1.942 -10.848 1.920 1.00 10.00 N ATOM 0 H GLN A 51 1.698 -8.410 5.092 1.00 10.00 H new ATOM 0 HA GLN A 51 0.297 -10.926 4.927 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.641 -9.050 2.968 1.00 10.00 H new ATOM 0 HB3 GLN A 51 1.065 -10.626 2.464 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -0.675 -8.527 3.803 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.552 -8.741 2.068 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.529 -10.510 1.050 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.654 -11.578 1.897 1.00 10.00 H new ATOM 593 N GLY A 52 3.490 -10.877 5.093 1.00 10.00 N ATOM 594 CA GLY A 52 4.678 -11.705 5.145 1.00 10.00 C ATOM 595 C GLY A 52 5.285 -11.949 3.779 1.00 10.00 C ATOM 596 O GLY A 52 5.354 -13.091 3.317 1.00 10.00 O ATOM 0 H GLY A 52 3.607 -9.941 5.480 1.00 10.00 H new ATOM 0 HA2 GLY A 52 5.419 -11.229 5.787 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.428 -12.662 5.603 1.00 10.00 H new ATOM 600 N LEU A 53 5.718 -10.880 3.131 1.00 10.00 N ATOM 601 CA LEU A 53 6.327 -10.978 1.814 1.00 10.00 C ATOM 602 C LEU A 53 7.160 -9.738 1.516 1.00 10.00 C ATOM 603 O LEU A 53 7.441 -8.941 2.416 1.00 10.00 O ATOM 604 CB LEU A 53 5.261 -11.193 0.729 1.00 10.00 C ATOM 605 CG LEU A 53 3.919 -10.492 0.959 1.00 10.00 C ATOM 606 CD1 LEU A 53 3.982 -9.037 0.529 1.00 10.00 C ATOM 607 CD2 LEU A 53 2.813 -11.217 0.211 1.00 10.00 C ATOM 0 H LEU A 53 5.659 -9.930 3.497 1.00 10.00 H new ATOM 0 HA LEU A 53 6.988 -11.845 1.810 1.00 10.00 H new ATOM 0 HB2 LEU A 53 5.667 -10.854 -0.224 1.00 10.00 H new ATOM 0 HB3 LEU A 53 5.078 -12.263 0.634 1.00 10.00 H new ATOM 0 HG LEU A 53 3.700 -10.519 2.026 1.00 10.00 H new ATOM 0 HD11 LEU A 53 3.016 -8.564 0.703 1.00 10.00 H new ATOM 0 HD12 LEU A 53 4.749 -8.520 1.106 1.00 10.00 H new ATOM 0 HD13 LEU A 53 4.227 -8.981 -0.532 1.00 10.00 H new ATOM 0 HD21 LEU A 53 1.864 -10.709 0.383 1.00 10.00 H new ATOM 0 HD22 LEU A 53 3.036 -11.219 -0.856 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.744 -12.244 0.569 1.00 10.00 H new ATOM 619 N SER A 54 7.554 -9.580 0.260 1.00 10.00 N ATOM 620 CA SER A 54 8.357 -8.441 -0.153 1.00 10.00 C ATOM 621 C SER A 54 7.497 -7.402 -0.869 1.00 10.00 C ATOM 622 O SER A 54 6.563 -7.751 -1.595 1.00 10.00 O ATOM 623 CB SER A 54 9.495 -8.905 -1.068 1.00 10.00 C ATOM 624 OG SER A 54 10.248 -7.807 -1.560 1.00 10.00 O ATOM 0 H SER A 54 7.328 -10.230 -0.493 1.00 10.00 H new ATOM 0 HA SER A 54 8.782 -7.978 0.738 1.00 10.00 H new ATOM 0 HB2 SER A 54 10.151 -9.581 -0.520 1.00 10.00 H new ATOM 0 HB3 SER A 54 9.083 -9.469 -1.905 1.00 10.00 H new ATOM 0 HG SER A 54 10.967 -8.136 -2.139 1.00 10.00 H new ATOM 630 N MET A 55 7.830 -6.128 -0.675 1.00 10.00 N ATOM 631 CA MET A 55 7.097 -5.028 -1.299 1.00 10.00 C ATOM 632 C MET A 55 7.249 -5.088 -2.813 1.00 10.00 C ATOM 633 O MET A 55 6.405 -4.599 -3.562 1.00 10.00 O ATOM 634 CB MET A 55 7.608 -3.683 -0.772 1.00 10.00 C ATOM 635 CG MET A 55 6.901 -2.474 -1.367 1.00 10.00 C ATOM 636 SD MET A 55 7.627 -0.913 -0.830 1.00 10.00 S ATOM 637 CE MET A 55 6.631 0.255 -1.753 1.00 10.00 C ATOM 0 H MET A 55 8.608 -5.830 -0.087 1.00 10.00 H new ATOM 0 HA MET A 55 6.041 -5.125 -1.047 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.492 -3.662 0.312 1.00 10.00 H new ATOM 0 HB3 MET A 55 8.675 -3.605 -0.980 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.940 -2.534 -2.455 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.849 -2.497 -1.084 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.959 1.270 -1.528 1.00 10.00 H new ATOM 0 HE2 MET A 55 6.744 0.065 -2.820 1.00 10.00 H new ATOM 0 HE3 MET A 55 5.584 0.141 -1.473 1.00 10.00 H new ATOM 647 N ARG A 56 8.327 -5.718 -3.254 1.00 10.00 N ATOM 648 CA ARG A 56 8.615 -5.863 -4.672 1.00 10.00 C ATOM 649 C ARG A 56 7.698 -6.910 -5.306 1.00 10.00 C ATOM 650 O ARG A 56 7.579 -6.987 -6.529 1.00 10.00 O ATOM 651 CB ARG A 56 10.086 -6.257 -4.853 1.00 10.00 C ATOM 652 CG ARG A 56 10.578 -6.196 -6.290 1.00 10.00 C ATOM 653 CD ARG A 56 12.092 -6.092 -6.343 1.00 10.00 C ATOM 654 NE ARG A 56 12.605 -6.102 -7.712 1.00 10.00 N ATOM 655 CZ ARG A 56 13.813 -5.659 -8.057 1.00 10.00 C ATOM 656 NH1 ARG A 56 14.623 -5.138 -7.141 1.00 10.00 N ATOM 657 NH2 ARG A 56 14.209 -5.729 -9.319 1.00 10.00 N ATOM 0 H ARG A 56 9.024 -6.142 -2.642 1.00 10.00 H new ATOM 0 HA ARG A 56 8.432 -4.912 -5.172 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.704 -5.599 -4.242 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.228 -7.270 -4.475 1.00 10.00 H new ATOM 0 HG2 ARG A 56 10.252 -7.086 -6.828 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.133 -5.338 -6.794 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.408 -5.174 -5.847 1.00 10.00 H new ATOM 0 HD3 ARG A 56 12.530 -6.922 -5.788 1.00 10.00 H new ATOM 0 HE ARG A 56 12.002 -6.470 -8.447 1.00 10.00 H new ATOM 0 HH11 ARG A 56 14.321 -5.076 -6.169 1.00 10.00 H new ATOM 0 HH12 ARG A 56 15.547 -4.800 -7.410 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.589 -6.122 -10.027 1.00 10.00 H new ATOM 0 HH22 ARG A 56 15.134 -5.390 -9.583 1.00 10.00 H new ATOM 671 N GLN A 57 7.030 -7.690 -4.464 1.00 10.00 N ATOM 672 CA GLN A 57 6.134 -8.744 -4.928 1.00 10.00 C ATOM 673 C GLN A 57 4.699 -8.236 -5.107 1.00 10.00 C ATOM 674 O GLN A 57 3.955 -8.745 -5.946 1.00 10.00 O ATOM 675 CB GLN A 57 6.158 -9.907 -3.931 1.00 10.00 C ATOM 676 CG GLN A 57 5.309 -11.097 -4.342 1.00 10.00 C ATOM 677 CD GLN A 57 5.167 -12.120 -3.231 1.00 10.00 C ATOM 678 OE1 GLN A 57 6.061 -12.281 -2.400 1.00 10.00 O ATOM 679 NE2 GLN A 57 4.038 -12.810 -3.202 1.00 10.00 N ATOM 0 H GLN A 57 7.093 -7.612 -3.449 1.00 10.00 H new ATOM 0 HA GLN A 57 6.485 -9.081 -5.903 1.00 10.00 H new ATOM 0 HB2 GLN A 57 7.188 -10.238 -3.801 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.814 -9.547 -2.962 1.00 10.00 H new ATOM 0 HG2 GLN A 57 4.320 -10.748 -4.639 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.755 -11.573 -5.215 1.00 10.00 H new ATOM 0 HE21 GLN A 57 3.322 -12.646 -3.910 1.00 10.00 H new ATOM 0 HE22 GLN A 57 3.884 -13.506 -2.472 1.00 10.00 H new ATOM 688 N ILE A 58 4.309 -7.235 -4.328 1.00 10.00 N ATOM 689 CA ILE A 58 2.954 -6.698 -4.410 1.00 10.00 C ATOM 690 C ILE A 58 2.921 -5.341 -5.106 1.00 10.00 C ATOM 691 O ILE A 58 3.953 -4.694 -5.285 1.00 10.00 O ATOM 692 CB ILE A 58 2.305 -6.570 -3.016 1.00 10.00 C ATOM 693 CG1 ILE A 58 3.227 -5.810 -2.053 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.960 -7.949 -2.467 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.640 -5.622 -0.670 1.00 10.00 C ATOM 0 H ILE A 58 4.906 -6.780 -3.637 1.00 10.00 H new ATOM 0 HA ILE A 58 2.381 -7.411 -5.003 1.00 10.00 H new ATOM 0 HB ILE A 58 1.382 -5.998 -3.114 1.00 10.00 H new ATOM 0 HG12 ILE A 58 4.171 -6.348 -1.967 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.455 -4.832 -2.478 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.503 -7.845 -1.483 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.261 -8.445 -3.141 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.869 -8.545 -2.384 1.00 10.00 H new ATOM 0 HD11 ILE A 58 3.348 -5.077 -0.045 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.711 -5.057 -0.743 1.00 10.00 H new ATOM 0 HD13 ILE A 58 2.438 -6.596 -0.225 1.00 10.00 H new ATOM 707 N ARG A 59 1.728 -4.925 -5.514 1.00 10.00 N ATOM 708 CA ARG A 59 1.540 -3.648 -6.189 1.00 10.00 C ATOM 709 C ARG A 59 0.314 -2.933 -5.631 1.00 10.00 C ATOM 710 O ARG A 59 -0.760 -3.520 -5.524 1.00 10.00 O ATOM 711 CB ARG A 59 1.380 -3.850 -7.703 1.00 10.00 C ATOM 712 CG ARG A 59 2.648 -4.302 -8.411 1.00 10.00 C ATOM 713 CD ARG A 59 3.775 -3.301 -8.220 1.00 10.00 C ATOM 714 NE ARG A 59 4.973 -3.676 -8.965 1.00 10.00 N ATOM 715 CZ ARG A 59 5.977 -4.393 -8.463 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.942 -4.821 -7.205 1.00 10.00 N ATOM 717 NH2 ARG A 59 7.022 -4.682 -9.224 1.00 10.00 N ATOM 0 H ARG A 59 0.869 -5.460 -5.387 1.00 10.00 H new ATOM 0 HA ARG A 59 2.424 -3.036 -6.011 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.597 -4.588 -7.879 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.042 -2.914 -8.149 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.954 -5.275 -8.027 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.447 -4.428 -9.475 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.442 -2.314 -8.542 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.017 -3.225 -7.160 1.00 10.00 H new ATOM 0 HE ARG A 59 5.046 -3.368 -9.935 1.00 10.00 H new ATOM 0 HH11 ARG A 59 5.141 -4.601 -6.614 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.717 -5.369 -6.831 1.00 10.00 H new ATOM 0 HH21 ARG A 59 7.055 -4.356 -10.190 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.793 -5.231 -8.844 1.00 10.00 H new ATOM 731 N PHE A 60 0.482 -1.666 -5.278 1.00 10.00 N ATOM 732 CA PHE A 60 -0.610 -0.874 -4.727 1.00 10.00 C ATOM 733 C PHE A 60 -1.183 0.069 -5.777 1.00 10.00 C ATOM 734 O PHE A 60 -0.440 0.665 -6.564 1.00 10.00 O ATOM 735 CB PHE A 60 -0.124 -0.064 -3.527 1.00 10.00 C ATOM 736 CG PHE A 60 -0.181 -0.808 -2.222 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.676 -1.867 -1.969 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.086 -0.437 -1.241 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.627 -2.543 -0.764 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.139 -1.110 -0.036 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.282 -2.163 0.204 1.00 10.00 C ATOM 0 H PHE A 60 1.366 -1.163 -5.363 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.394 -1.561 -4.408 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.903 0.253 -3.708 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.727 0.840 -3.444 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.390 -2.168 -2.721 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.758 0.389 -1.421 1.00 10.00 H new ATOM 0 HE1 PHE A 60 1.299 -3.368 -0.580 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.852 -0.811 0.718 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.321 -2.689 1.146 1.00 10.00 H new ATOM 751 N ARG A 61 -2.503 0.205 -5.786 1.00 10.00 N ATOM 752 CA ARG A 61 -3.178 1.081 -6.734 1.00 10.00 C ATOM 753 C ARG A 61 -4.152 2.017 -6.027 1.00 10.00 C ATOM 754 O ARG A 61 -4.797 1.647 -5.044 1.00 10.00 O ATOM 755 CB ARG A 61 -3.927 0.266 -7.791 1.00 10.00 C ATOM 756 CG ARG A 61 -3.024 -0.337 -8.852 1.00 10.00 C ATOM 757 CD ARG A 61 -3.832 -0.914 -10.002 1.00 10.00 C ATOM 758 NE ARG A 61 -2.981 -1.590 -10.978 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.442 -0.994 -12.040 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.708 0.279 -12.305 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.654 -1.683 -12.852 1.00 10.00 N ATOM 0 H ARG A 61 -3.129 -0.282 -5.145 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.411 1.681 -7.223 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.477 -0.535 -7.297 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.664 0.906 -8.275 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.343 0.426 -9.230 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.410 -1.120 -8.407 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.568 -1.618 -9.612 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.385 -0.114 -10.494 1.00 10.00 H new ATOM 0 HE ARG A 61 -2.787 -2.581 -10.837 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.329 0.808 -11.693 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.291 0.728 -13.120 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.462 -2.667 -12.663 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.239 -1.230 -13.666 1.00 10.00 H new ATOM 775 N PHE A 62 -4.253 3.227 -6.552 1.00 10.00 N ATOM 776 CA PHE A 62 -5.140 4.248 -6.016 1.00 10.00 C ATOM 777 C PHE A 62 -5.963 4.848 -7.150 1.00 10.00 C ATOM 778 O PHE A 62 -5.409 5.452 -8.072 1.00 10.00 O ATOM 779 CB PHE A 62 -4.331 5.343 -5.305 1.00 10.00 C ATOM 780 CG PHE A 62 -5.104 6.610 -5.066 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.024 6.694 -4.036 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.907 7.718 -5.873 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.738 7.856 -3.820 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.617 8.880 -5.661 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.531 8.951 -4.632 1.00 10.00 C ATOM 0 H PHE A 62 -3.719 3.531 -7.366 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.810 3.793 -5.286 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.978 4.958 -4.348 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.448 5.574 -5.901 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.186 5.841 -3.394 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.189 7.671 -6.678 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.458 7.907 -3.016 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.457 9.735 -6.301 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.084 9.863 -4.462 1.00 10.00 H new ATOM 795 N ASP A 63 -7.280 4.650 -7.091 1.00 10.00 N ATOM 796 CA ASP A 63 -8.202 5.172 -8.109 1.00 10.00 C ATOM 797 C ASP A 63 -7.805 4.697 -9.513 1.00 10.00 C ATOM 798 O ASP A 63 -8.107 5.340 -10.516 1.00 10.00 O ATOM 799 CB ASP A 63 -8.247 6.706 -8.049 1.00 10.00 C ATOM 800 CG ASP A 63 -9.482 7.283 -8.715 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.609 6.936 -8.300 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.334 8.103 -9.648 1.00 10.00 O ATOM 0 H ASP A 63 -7.738 4.128 -6.344 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.198 4.784 -7.896 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.218 7.026 -7.007 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.357 7.110 -8.531 1.00 10.00 H new ATOM 807 N GLY A 64 -7.127 3.555 -9.573 1.00 10.00 N ATOM 808 CA GLY A 64 -6.701 3.005 -10.845 1.00 10.00 C ATOM 809 C GLY A 64 -5.205 3.128 -11.066 1.00 10.00 C ATOM 810 O GLY A 64 -4.550 2.173 -11.492 1.00 10.00 O ATOM 0 H GLY A 64 -6.865 2.999 -8.759 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.986 1.954 -10.895 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -7.226 3.517 -11.651 1.00 10.00 H new ATOM 814 N GLN A 65 -4.663 4.297 -10.754 1.00 10.00 N ATOM 815 CA GLN A 65 -3.240 4.566 -10.934 1.00 10.00 C ATOM 816 C GLN A 65 -2.406 3.869 -9.859 1.00 10.00 C ATOM 817 O GLN A 65 -2.908 3.581 -8.777 1.00 10.00 O ATOM 818 CB GLN A 65 -2.983 6.074 -10.887 1.00 10.00 C ATOM 819 CG GLN A 65 -3.646 6.845 -12.018 1.00 10.00 C ATOM 820 CD GLN A 65 -3.261 6.320 -13.385 1.00 10.00 C ATOM 821 OE1 GLN A 65 -3.965 5.494 -13.967 1.00 10.00 O ATOM 822 NE2 GLN A 65 -2.137 6.783 -13.903 1.00 10.00 N ATOM 0 H GLN A 65 -5.191 5.081 -10.372 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.943 4.174 -11.907 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.341 6.465 -9.935 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.908 6.251 -10.920 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.729 6.791 -11.904 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -3.370 7.897 -11.946 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.582 7.467 -13.389 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -1.824 6.456 -14.817 1.00 10.00 H new ATOM 831 N PRO A 66 -1.126 3.571 -10.143 1.00 10.00 N ATOM 832 CA PRO A 66 -0.233 2.928 -9.183 1.00 10.00 C ATOM 833 C PRO A 66 0.343 3.935 -8.187 1.00 10.00 C ATOM 834 O PRO A 66 0.664 5.068 -8.555 1.00 10.00 O ATOM 835 CB PRO A 66 0.889 2.339 -10.059 1.00 10.00 C ATOM 836 CG PRO A 66 0.544 2.688 -11.475 1.00 10.00 C ATOM 837 CD PRO A 66 -0.439 3.821 -11.414 1.00 10.00 C ATOM 0 HA PRO A 66 -0.749 2.179 -8.582 1.00 10.00 H new ATOM 0 HB2 PRO A 66 1.858 2.754 -9.781 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.956 1.259 -9.930 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.436 2.979 -12.030 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.114 1.830 -11.991 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.058 4.791 -11.424 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -1.128 3.807 -12.258 1.00 10.00 H new ATOM 845 N ILE A 67 0.469 3.523 -6.936 1.00 10.00 N ATOM 846 CA ILE A 67 1.003 4.395 -5.896 1.00 10.00 C ATOM 847 C ILE A 67 2.529 4.350 -5.885 1.00 10.00 C ATOM 848 O ILE A 67 3.129 3.284 -6.050 1.00 10.00 O ATOM 849 CB ILE A 67 0.471 3.999 -4.500 1.00 10.00 C ATOM 850 CG1 ILE A 67 -1.060 3.955 -4.509 1.00 10.00 C ATOM 851 CG2 ILE A 67 0.968 4.972 -3.441 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.673 3.624 -3.163 1.00 10.00 C ATOM 0 H ILE A 67 0.210 2.591 -6.614 1.00 10.00 H new ATOM 0 HA ILE A 67 0.671 5.408 -6.122 1.00 10.00 H new ATOM 0 HB ILE A 67 0.848 3.006 -4.256 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.439 4.921 -4.842 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.388 3.215 -5.239 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.583 4.676 -2.465 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.058 4.961 -3.419 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.620 5.977 -3.679 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.759 3.612 -3.251 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.324 2.645 -2.835 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.377 4.377 -2.433 1.00 10.00 H new ATOM 864 N ASN A 68 3.153 5.507 -5.703 1.00 10.00 N ATOM 865 CA ASN A 68 4.604 5.594 -5.668 1.00 10.00 C ATOM 866 C ASN A 68 5.090 5.670 -4.224 1.00 10.00 C ATOM 867 O ASN A 68 4.295 5.809 -3.294 1.00 10.00 O ATOM 868 CB ASN A 68 5.084 6.821 -6.453 1.00 10.00 C ATOM 869 CG ASN A 68 6.442 6.613 -7.101 1.00 10.00 C ATOM 870 OD1 ASN A 68 7.454 6.456 -6.418 1.00 10.00 O ATOM 871 ND2 ASN A 68 6.472 6.617 -8.424 1.00 10.00 N ATOM 0 H ASN A 68 2.674 6.399 -5.577 1.00 10.00 H new ATOM 0 HA ASN A 68 5.019 4.700 -6.133 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.352 7.062 -7.224 1.00 10.00 H new ATOM 0 HB3 ASN A 68 5.135 7.679 -5.782 1.00 10.00 H new ATOM 0 HD21 ASN A 68 7.357 6.487 -8.914 1.00 10.00 H new ATOM 0 HD22 ASN A 68 5.610 6.750 -8.953 1.00 10.00 H new ATOM 878 N GLU A 69 6.399 5.590 -4.041 1.00 10.00 N ATOM 879 CA GLU A 69 6.999 5.646 -2.716 1.00 10.00 C ATOM 880 C GLU A 69 6.982 7.074 -2.179 1.00 10.00 C ATOM 881 O GLU A 69 6.936 7.296 -0.971 1.00 10.00 O ATOM 882 CB GLU A 69 8.432 5.119 -2.769 1.00 10.00 C ATOM 883 CG GLU A 69 8.533 3.706 -3.321 1.00 10.00 C ATOM 884 CD GLU A 69 9.951 3.316 -3.679 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.513 2.420 -3.014 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.507 3.898 -4.635 1.00 10.00 O ATOM 0 H GLU A 69 7.072 5.485 -4.801 1.00 10.00 H new ATOM 0 HA GLU A 69 6.415 5.019 -2.043 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.035 5.786 -3.385 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.857 5.141 -1.766 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.143 3.004 -2.584 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.903 3.621 -4.206 1.00 10.00 H new ATOM 893 N THR A 70 7.009 8.036 -3.090 1.00 10.00 N ATOM 894 CA THR A 70 6.994 9.442 -2.723 1.00 10.00 C ATOM 895 C THR A 70 5.578 10.004 -2.783 1.00 10.00 C ATOM 896 O THR A 70 5.357 11.110 -3.280 1.00 10.00 O ATOM 897 CB THR A 70 7.904 10.252 -3.659 1.00 10.00 C ATOM 898 OG1 THR A 70 7.891 9.669 -4.972 1.00 10.00 O ATOM 899 CG2 THR A 70 9.327 10.296 -3.127 1.00 10.00 C ATOM 0 H THR A 70 7.042 7.865 -4.095 1.00 10.00 H new ATOM 0 HA THR A 70 7.364 9.523 -1.701 1.00 10.00 H new ATOM 0 HB THR A 70 7.526 11.273 -3.710 1.00 10.00 H new ATOM 0 HG1 THR A 70 8.471 10.189 -5.567 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.952 10.875 -3.807 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.333 10.763 -2.142 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.718 9.282 -3.050 1.00 10.00 H new ATOM 907 N ASP A 71 4.622 9.231 -2.285 1.00 10.00 N ATOM 908 CA ASP A 71 3.227 9.649 -2.285 1.00 10.00 C ATOM 909 C ASP A 71 2.697 9.761 -0.865 1.00 10.00 C ATOM 910 O ASP A 71 3.136 9.041 0.038 1.00 10.00 O ATOM 911 CB ASP A 71 2.361 8.669 -3.082 1.00 10.00 C ATOM 912 CG ASP A 71 2.250 9.042 -4.546 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.145 10.250 -4.852 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.270 8.130 -5.398 1.00 10.00 O ATOM 0 H ASP A 71 4.787 8.311 -1.876 1.00 10.00 H new ATOM 0 HA ASP A 71 3.177 10.629 -2.760 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.782 7.667 -2.998 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.364 8.633 -2.644 1.00 10.00 H new ATOM 919 N THR A 72 1.760 10.671 -0.672 1.00 10.00 N ATOM 920 CA THR A 72 1.149 10.888 0.626 1.00 10.00 C ATOM 921 C THR A 72 -0.358 11.056 0.465 1.00 10.00 C ATOM 922 O THR A 72 -0.822 11.449 -0.608 1.00 10.00 O ATOM 923 CB THR A 72 1.731 12.136 1.320 1.00 10.00 C ATOM 924 OG1 THR A 72 2.201 13.070 0.340 1.00 10.00 O ATOM 925 CG2 THR A 72 2.868 11.760 2.254 1.00 10.00 C ATOM 0 H THR A 72 1.402 11.279 -1.409 1.00 10.00 H new ATOM 0 HA THR A 72 1.363 10.018 1.247 1.00 10.00 H new ATOM 0 HB THR A 72 0.937 12.596 1.909 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.567 13.860 0.790 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.260 12.659 2.730 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.500 11.076 3.018 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.661 11.275 1.685 1.00 10.00 H new ATOM 933 N PRO A 73 -1.145 10.759 1.515 1.00 10.00 N ATOM 934 CA PRO A 73 -2.604 10.896 1.465 1.00 10.00 C ATOM 935 C PRO A 73 -3.028 12.300 1.050 1.00 10.00 C ATOM 936 O PRO A 73 -3.985 12.479 0.296 1.00 10.00 O ATOM 937 CB PRO A 73 -3.046 10.606 2.902 1.00 10.00 C ATOM 938 CG PRO A 73 -1.948 9.784 3.483 1.00 10.00 C ATOM 939 CD PRO A 73 -0.681 10.252 2.821 1.00 10.00 C ATOM 0 HA PRO A 73 -3.053 10.227 0.731 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.189 11.528 3.465 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.995 10.069 2.923 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.894 9.914 4.564 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.116 8.723 3.298 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.188 11.031 3.402 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.036 9.439 2.705 1.00 10.00 H new ATOM 947 N ALA A 74 -2.292 13.294 1.528 1.00 10.00 N ATOM 948 CA ALA A 74 -2.590 14.682 1.212 1.00 10.00 C ATOM 949 C ALA A 74 -2.231 15.019 -0.234 1.00 10.00 C ATOM 950 O ALA A 74 -2.899 15.835 -0.868 1.00 10.00 O ATOM 951 CB ALA A 74 -1.858 15.612 2.163 1.00 10.00 C ATOM 0 H ALA A 74 -1.484 13.164 2.136 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.664 14.823 1.332 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.092 16.647 1.912 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.172 15.407 3.186 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.784 15.451 2.074 1.00 10.00 H new ATOM 957 N GLN A 75 -1.183 14.383 -0.746 1.00 10.00 N ATOM 958 CA GLN A 75 -0.728 14.625 -2.112 1.00 10.00 C ATOM 959 C GLN A 75 -1.716 14.070 -3.133 1.00 10.00 C ATOM 960 O GLN A 75 -2.070 14.748 -4.095 1.00 10.00 O ATOM 961 CB GLN A 75 0.656 14.003 -2.330 1.00 10.00 C ATOM 962 CG GLN A 75 1.150 14.096 -3.765 1.00 10.00 C ATOM 963 CD GLN A 75 1.314 15.529 -4.237 1.00 10.00 C ATOM 964 OE1 GLN A 75 1.687 16.412 -3.466 1.00 10.00 O ATOM 965 NE2 GLN A 75 1.021 15.769 -5.505 1.00 10.00 N ATOM 0 H GLN A 75 -0.631 13.694 -0.235 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.663 15.704 -2.255 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.374 14.498 -1.675 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.624 12.955 -2.034 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.105 13.578 -3.850 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.448 13.580 -4.420 1.00 10.00 H new ATOM 0 HE21 GLN A 75 0.715 15.007 -6.111 1.00 10.00 H new ATOM 0 HE22 GLN A 75 1.101 16.716 -5.877 1.00 10.00 H new ATOM 974 N LEU A 76 -2.167 12.843 -2.912 1.00 10.00 N ATOM 975 CA LEU A 76 -3.105 12.197 -3.823 1.00 10.00 C ATOM 976 C LEU A 76 -4.544 12.636 -3.558 1.00 10.00 C ATOM 977 O LEU A 76 -5.475 12.101 -4.161 1.00 10.00 O ATOM 978 CB LEU A 76 -2.998 10.674 -3.702 1.00 10.00 C ATOM 979 CG LEU A 76 -1.741 10.053 -4.317 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.652 8.577 -3.964 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.736 10.240 -5.828 1.00 10.00 C ATOM 0 H LEU A 76 -1.899 12.274 -2.109 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.841 12.502 -4.836 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -3.035 10.407 -2.646 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.872 10.227 -4.175 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.869 10.561 -3.905 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.753 8.150 -4.409 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.610 8.464 -2.881 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.529 8.057 -4.349 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.835 9.792 -6.247 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.614 9.758 -6.257 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.755 11.304 -6.063 1.00 10.00 H new ATOM 993 N GLU A 77 -4.715 13.612 -2.666 1.00 10.00 N ATOM 994 CA GLU A 77 -6.038 14.131 -2.314 1.00 10.00 C ATOM 995 C GLU A 77 -6.954 13.011 -1.829 1.00 10.00 C ATOM 996 O GLU A 77 -8.144 12.972 -2.158 1.00 10.00 O ATOM 997 CB GLU A 77 -6.679 14.846 -3.504 1.00 10.00 C ATOM 998 CG GLU A 77 -6.005 16.154 -3.875 1.00 10.00 C ATOM 999 CD GLU A 77 -6.840 16.970 -4.837 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -6.777 16.706 -6.057 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -7.572 17.874 -4.381 1.00 10.00 O ATOM 0 H GLU A 77 -3.946 14.063 -2.170 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.904 14.848 -1.504 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.659 14.181 -4.368 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.727 15.041 -3.276 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -5.821 16.736 -2.972 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -5.034 15.947 -4.324 1.00 10.00 H new ATOM 1008 N MET A 78 -6.393 12.110 -1.038 1.00 10.00 N ATOM 1009 CA MET A 78 -7.147 10.990 -0.504 1.00 10.00 C ATOM 1010 C MET A 78 -8.059 11.472 0.609 1.00 10.00 C ATOM 1011 O MET A 78 -7.742 12.440 1.304 1.00 10.00 O ATOM 1012 CB MET A 78 -6.205 9.903 0.018 1.00 10.00 C ATOM 1013 CG MET A 78 -5.185 9.439 -1.009 1.00 10.00 C ATOM 1014 SD MET A 78 -4.021 8.231 -0.348 1.00 10.00 S ATOM 1015 CE MET A 78 -5.017 6.745 -0.396 1.00 10.00 C ATOM 0 H MET A 78 -5.414 12.134 -0.752 1.00 10.00 H new ATOM 0 HA MET A 78 -7.751 10.562 -1.304 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.679 10.280 0.896 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.796 9.047 0.344 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.707 9.004 -1.861 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.633 10.302 -1.381 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.822 6.148 0.495 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.072 7.015 -0.428 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.764 6.166 -1.284 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.186 10.804 0.775 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.145 11.178 1.801 1.00 10.00 C ATOM 1027 C GLU A 79 -10.480 9.983 2.680 1.00 10.00 C ATOM 1028 O GLU A 79 -9.960 8.885 2.476 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.422 11.741 1.164 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.770 13.149 1.628 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.763 13.281 3.136 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.660 12.710 3.792 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.847 13.937 3.675 1.00 10.00 O ATOM 0 H GLU A 79 -9.461 9.999 0.212 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.695 11.952 2.423 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.306 11.744 0.080 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.255 11.076 1.393 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -11.058 13.855 1.201 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.755 13.421 1.247 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.344 10.204 3.657 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.753 9.149 4.568 1.00 10.00 C ATOM 1042 C ASP A 80 -12.528 8.083 3.807 1.00 10.00 C ATOM 1043 O ASP A 80 -13.312 8.408 2.910 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.617 9.732 5.689 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.377 9.069 7.031 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.363 8.785 7.744 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.206 8.840 7.386 1.00 10.00 O ATOM 0 H ASP A 80 -11.777 11.109 3.840 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.867 8.694 5.010 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -12.416 10.800 5.777 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.668 9.627 5.421 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.268 6.822 4.148 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.926 5.667 3.526 1.00 10.00 C ATOM 1054 C GLU A 81 -12.357 5.363 2.142 1.00 10.00 C ATOM 1055 O GLU A 81 -12.944 4.590 1.382 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.444 5.861 3.429 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.137 5.929 4.775 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.086 4.612 5.517 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -15.937 3.738 5.243 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -14.201 4.441 6.375 1.00 10.00 O ATOM 0 H GLU A 81 -11.591 6.568 4.868 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.725 4.816 4.176 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.650 6.779 2.878 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.870 5.040 2.852 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.669 6.704 5.383 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -16.177 6.222 4.631 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.214 5.959 1.812 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.587 5.720 0.514 1.00 10.00 C ATOM 1069 C ASP A 82 -10.128 4.268 0.426 1.00 10.00 C ATOM 1070 O ASP A 82 -9.402 3.788 1.298 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.399 6.659 0.297 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.335 7.200 -1.118 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.282 6.389 -2.069 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.345 8.440 -1.283 1.00 10.00 O ATOM 0 H ASP A 82 -10.707 6.604 2.418 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.322 5.918 -0.266 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.466 7.491 0.998 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.474 6.127 0.521 1.00 10.00 H new ATOM 1079 N THR A 83 -10.555 3.573 -0.618 1.00 10.00 N ATOM 1080 CA THR A 83 -10.204 2.171 -0.793 1.00 10.00 C ATOM 1081 C THR A 83 -8.977 1.996 -1.682 1.00 10.00 C ATOM 1082 O THR A 83 -8.991 2.344 -2.863 1.00 10.00 O ATOM 1083 CB THR A 83 -11.380 1.381 -1.398 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.602 1.731 -0.729 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.146 -0.118 -1.278 1.00 10.00 C ATOM 0 H THR A 83 -11.145 3.957 -1.357 1.00 10.00 H new ATOM 0 HA THR A 83 -9.972 1.782 0.199 1.00 10.00 H new ATOM 0 HB THR A 83 -11.455 1.639 -2.454 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.345 1.226 -1.120 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.990 -0.654 -1.712 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.233 -0.387 -1.809 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.047 -0.388 -0.227 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.921 1.456 -1.100 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.685 1.208 -1.822 1.00 10.00 C ATOM 1095 C ILE A 84 -6.672 -0.230 -2.343 1.00 10.00 C ATOM 1096 O ILE A 84 -6.985 -1.165 -1.605 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.457 1.446 -0.916 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.563 2.811 -0.223 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.168 1.354 -1.721 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.502 3.048 0.834 1.00 10.00 C ATOM 0 H ILE A 84 -7.895 1.178 -0.119 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.632 1.902 -2.660 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.437 0.669 -0.152 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.493 3.596 -0.976 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.547 2.898 0.238 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.316 1.525 -1.064 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.088 0.363 -2.168 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.176 2.108 -2.508 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.644 4.034 1.277 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.584 2.286 1.609 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.514 2.995 0.376 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.315 -0.398 -3.610 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.282 -1.719 -4.226 1.00 10.00 C ATOM 1114 C ASP A 85 -4.889 -2.320 -4.127 1.00 10.00 C ATOM 1115 O ASP A 85 -3.891 -1.618 -4.286 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.690 -1.638 -5.698 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.100 -1.127 -5.899 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.058 -1.829 -5.520 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.257 -0.022 -6.460 1.00 10.00 O ATOM 0 H ASP A 85 -6.044 0.364 -4.232 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.988 -2.354 -3.691 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -5.995 -0.985 -6.225 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.601 -2.627 -6.148 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.826 -3.618 -3.864 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.550 -4.313 -3.755 1.00 10.00 C ATOM 1126 C VAL A 86 -3.526 -5.531 -4.670 1.00 10.00 C ATOM 1127 O VAL A 86 -4.380 -6.411 -4.569 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.260 -4.769 -2.307 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -1.853 -5.344 -2.196 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.448 -3.616 -1.335 1.00 10.00 C ATOM 0 H VAL A 86 -5.643 -4.211 -3.722 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.778 -3.604 -4.055 1.00 10.00 H new ATOM 0 HB VAL A 86 -3.970 -5.554 -2.047 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -1.669 -5.659 -1.169 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -1.757 -6.202 -2.862 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.126 -4.583 -2.478 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.239 -3.957 -0.321 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -2.765 -2.807 -1.594 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.475 -3.256 -1.392 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.554 -5.570 -5.568 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.405 -6.681 -6.500 1.00 10.00 C ATOM 1142 C PHE A 87 -1.030 -7.315 -6.331 1.00 10.00 C ATOM 1143 O PHE A 87 -0.220 -6.839 -5.534 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.594 -6.201 -7.943 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.993 -5.748 -8.256 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -4.938 -6.650 -8.718 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.362 -4.422 -8.091 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.223 -6.238 -9.013 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.645 -4.004 -8.384 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.578 -4.915 -8.844 1.00 10.00 C ATOM 0 H PHE A 87 -1.850 -4.839 -5.673 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.170 -7.426 -6.284 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.905 -5.379 -8.135 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -2.324 -7.009 -8.623 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.667 -7.687 -8.849 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.638 -3.708 -7.729 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -6.949 -6.950 -9.376 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.919 -2.968 -8.254 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.583 -4.592 -9.071 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.766 -8.384 -7.069 1.00 10.00 N ATOM 1161 CA GLN A 88 0.520 -9.067 -6.986 1.00 10.00 C ATOM 1162 C GLN A 88 1.233 -9.036 -8.331 1.00 10.00 C ATOM 1163 O GLN A 88 0.597 -8.931 -9.378 1.00 10.00 O ATOM 1164 CB GLN A 88 0.337 -10.514 -6.523 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.119 -10.635 -5.078 1.00 10.00 C ATOM 1166 CD GLN A 88 0.576 -11.760 -4.337 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.727 -12.092 -4.620 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -0.119 -12.352 -3.381 1.00 10.00 N ATOM 0 H GLN A 88 -1.423 -8.797 -7.731 1.00 10.00 H new ATOM 0 HA GLN A 88 1.133 -8.542 -6.253 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.392 -11.004 -7.168 1.00 10.00 H new ATOM 0 HB3 GLN A 88 1.280 -11.048 -6.644 1.00 10.00 H new ATOM 0 HG2 GLN A 88 0.070 -9.694 -4.562 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.196 -10.801 -5.054 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -1.071 -12.046 -3.178 1.00 10.00 H new ATOM 0 HE22 GLN A 88 0.296 -13.115 -2.846 1.00 10.00 H new ATOM 1177 N GLN A 89 2.552 -9.117 -8.293 1.00 10.00 N ATOM 1178 CA GLN A 89 3.361 -9.094 -9.503 1.00 10.00 C ATOM 1179 C GLN A 89 3.271 -10.429 -10.243 1.00 10.00 C ATOM 1180 O GLN A 89 3.049 -11.477 -9.631 1.00 10.00 O ATOM 1181 CB GLN A 89 4.819 -8.782 -9.143 1.00 10.00 C ATOM 1182 CG GLN A 89 5.720 -8.543 -10.346 1.00 10.00 C ATOM 1183 CD GLN A 89 5.235 -7.407 -11.225 1.00 10.00 C ATOM 1184 OE1 GLN A 89 4.611 -6.459 -10.751 1.00 10.00 O ATOM 1185 NE2 GLN A 89 5.524 -7.490 -12.513 1.00 10.00 N ATOM 0 H GLN A 89 3.090 -9.200 -7.431 1.00 10.00 H new ATOM 0 HA GLN A 89 2.980 -8.316 -10.164 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.843 -7.899 -8.504 1.00 10.00 H new ATOM 0 HB3 GLN A 89 5.223 -9.609 -8.559 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.730 -8.323 -10.000 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.778 -9.456 -10.939 1.00 10.00 H new ATOM 0 HE21 GLN A 89 6.044 -8.293 -12.868 1.00 10.00 H new ATOM 0 HE22 GLN A 89 5.227 -6.751 -13.151 1.00 10.00 H new ATOM 1194 N GLN A 90 3.421 -10.378 -11.564 1.00 10.00 N ATOM 1195 CA GLN A 90 3.372 -11.574 -12.397 1.00 10.00 C ATOM 1196 C GLN A 90 4.484 -12.546 -12.011 1.00 10.00 C ATOM 1197 O GLN A 90 5.649 -12.158 -11.892 1.00 10.00 O ATOM 1198 CB GLN A 90 3.495 -11.200 -13.878 1.00 10.00 C ATOM 1199 CG GLN A 90 2.192 -10.720 -14.506 1.00 10.00 C ATOM 1200 CD GLN A 90 1.705 -9.396 -13.943 1.00 10.00 C ATOM 1201 OE1 GLN A 90 2.498 -8.536 -13.558 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.394 -9.227 -13.889 1.00 10.00 N ATOM 0 H GLN A 90 3.579 -9.514 -12.083 1.00 10.00 H new ATOM 0 HA GLN A 90 2.411 -12.062 -12.235 1.00 10.00 H new ATOM 0 HB2 GLN A 90 4.247 -10.418 -13.984 1.00 10.00 H new ATOM 0 HB3 GLN A 90 3.856 -12.066 -14.432 1.00 10.00 H new ATOM 0 HG2 GLN A 90 2.331 -10.620 -15.582 1.00 10.00 H new ATOM 0 HG3 GLN A 90 1.423 -11.477 -14.353 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -0.229 -9.964 -14.218 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.006 -8.359 -13.518 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.200 -8.918 7.732 1.00 10.00 N ATOM 1248 CA ASN B 358 -11.492 -8.490 8.921 1.00 10.00 C ATOM 1249 C ASN B 358 -10.857 -7.127 8.732 1.00 10.00 C ATOM 1250 O ASN B 358 -10.110 -6.904 7.775 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.436 -9.529 9.327 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.416 -9.791 8.234 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -9.684 -10.529 7.287 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -8.245 -9.189 8.351 1.00 10.00 N ATOM 0 HA ASN B 358 -12.222 -8.404 9.726 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -9.920 -9.185 10.223 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -10.933 -10.464 9.585 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -7.526 -9.329 7.641 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -8.060 -8.584 9.151 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.180 -6.205 9.634 1.00 10.00 N ATOM 1262 CA ARG B 359 -10.607 -4.876 9.587 1.00 10.00 C ATOM 1263 C ARG B 359 -9.958 -4.530 10.925 1.00 10.00 C ATOM 1264 O ARG B 359 -10.587 -4.622 11.982 1.00 10.00 O ATOM 1265 CB ARG B 359 -11.653 -3.817 9.195 1.00 10.00 C ATOM 1266 CG ARG B 359 -12.791 -3.617 10.174 1.00 10.00 C ATOM 1267 CD ARG B 359 -13.719 -2.523 9.669 1.00 10.00 C ATOM 1268 NE ARG B 359 -14.683 -2.087 10.671 1.00 10.00 N ATOM 1269 CZ ARG B 359 -15.961 -2.468 10.693 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.417 -3.356 9.812 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.791 -1.959 11.595 1.00 10.00 N ATOM 0 H ARG B 359 -11.834 -6.359 10.402 1.00 10.00 H new ATOM 0 HA ARG B 359 -9.839 -4.872 8.814 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -11.143 -2.863 9.061 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -12.075 -4.092 8.228 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -13.345 -4.548 10.297 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -12.397 -3.348 11.154 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -13.123 -1.668 9.349 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -14.254 -2.885 8.791 1.00 10.00 H new ATOM 0 HE ARG B 359 -14.361 -1.451 11.401 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -15.787 -3.751 9.113 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.396 -3.642 9.836 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.452 -1.276 12.272 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.768 -2.251 11.611 1.00 10.00 H new ATOM 1285 N ASP B 360 -8.694 -4.176 10.864 1.00 10.00 N ATOM 1286 CA ASP B 360 -7.932 -3.765 12.031 1.00 10.00 C ATOM 1287 C ASP B 360 -7.313 -2.418 11.720 1.00 10.00 C ATOM 1288 O ASP B 360 -6.863 -2.207 10.595 1.00 10.00 O ATOM 1289 CB ASP B 360 -6.888 -4.811 12.465 1.00 10.00 C ATOM 1290 CG ASP B 360 -5.486 -4.553 11.945 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -5.196 -4.970 10.807 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -4.656 -3.980 12.691 1.00 10.00 O ATOM 0 H ASP B 360 -8.157 -4.164 9.997 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.597 -3.679 12.891 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -6.857 -4.845 13.554 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.213 -5.794 12.124 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.293 -1.469 12.655 1.00 10.00 N ATOM 1298 CA PRO B 361 -6.744 -0.163 12.375 1.00 10.00 C ATOM 1299 C PRO B 361 -5.353 0.019 12.957 1.00 10.00 C ATOM 1300 O PRO B 361 -5.096 -0.218 14.142 1.00 10.00 O ATOM 1301 CB PRO B 361 -7.737 0.757 13.090 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.339 -0.074 14.191 1.00 10.00 C ATOM 1303 CD PRO B 361 -7.912 -1.510 13.976 1.00 10.00 C ATOM 0 HA PRO B 361 -6.629 0.025 11.308 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.236 1.637 13.493 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -8.505 1.114 12.404 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.003 0.282 15.165 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.426 0.007 14.179 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.210 -1.842 14.741 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.761 -2.193 14.004 1.00 10.00 H new ATOM 1311 N ILE B 362 -4.466 0.454 12.073 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.063 0.657 12.381 1.00 10.00 C ATOM 1313 C ILE B 362 -2.708 2.120 12.223 1.00 10.00 C ATOM 1314 O ILE B 362 -3.081 2.751 11.233 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.154 -0.162 11.436 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -2.766 -1.531 11.129 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -0.764 -0.321 12.037 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -2.319 -2.094 9.798 1.00 10.00 C ATOM 0 H ILE B 362 -4.708 0.678 11.108 1.00 10.00 H new ATOM 0 HA ILE B 362 -2.903 0.329 13.408 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.067 0.385 10.497 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.496 -2.229 11.921 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -3.853 -1.446 11.135 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.138 -0.900 11.358 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.319 0.662 12.191 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -0.838 -0.839 12.993 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -2.787 -3.065 9.638 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -2.612 -1.414 8.998 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -1.235 -2.209 9.797 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.005 2.656 13.200 1.00 10.00 N ATOM 1331 CA VAL B 363 -1.607 4.048 13.164 1.00 10.00 C ATOM 1332 C VAL B 363 -0.092 4.150 13.097 1.00 10.00 C ATOM 1333 O VAL B 363 0.623 3.556 13.899 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.104 4.811 14.410 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -1.916 6.311 14.234 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.560 4.482 14.702 1.00 10.00 C ATOM 0 H VAL B 363 -1.697 2.148 14.029 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.056 4.497 12.278 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.507 4.490 15.263 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.273 6.829 15.124 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -0.859 6.530 14.086 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.482 6.649 13.366 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -3.887 5.032 15.584 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.175 4.766 13.848 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -3.662 3.412 14.883 1.00 10.00 H new ATOM 1346 N ILE B 364 0.378 4.907 12.125 1.00 10.00 N ATOM 1347 CA ILE B 364 1.803 5.102 11.907 1.00 10.00 C ATOM 1348 C ILE B 364 2.140 6.582 12.006 1.00 10.00 C ATOM 1349 O ILE B 364 1.452 7.419 11.424 1.00 10.00 O ATOM 1350 CB ILE B 364 2.244 4.563 10.525 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.801 3.107 10.358 1.00 10.00 C ATOM 1352 CG2 ILE B 364 3.755 4.681 10.356 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.880 2.605 8.931 1.00 10.00 C ATOM 0 H ILE B 364 -0.216 5.406 11.462 1.00 10.00 H new ATOM 0 HA ILE B 364 2.339 4.546 12.676 1.00 10.00 H new ATOM 0 HB ILE B 364 1.766 5.166 9.753 1.00 10.00 H new ATOM 0 HG12 ILE B 364 2.421 2.473 10.991 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.775 3.006 10.713 1.00 10.00 H new ATOM 0 HG21 ILE B 364 4.043 4.296 9.378 1.00 10.00 H new ATOM 0 HG22 ILE B 364 4.049 5.727 10.435 1.00 10.00 H new ATOM 0 HG23 ILE B 364 4.254 4.104 11.134 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.551 1.567 8.892 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.237 3.214 8.295 1.00 10.00 H new ATOM 0 HD13 ILE B 364 2.909 2.673 8.578 1.00 10.00 H new ATOM 1365 N SER B 365 3.179 6.910 12.756 1.00 10.00 N ATOM 1366 CA SER B 365 3.579 8.298 12.909 1.00 10.00 C ATOM 1367 C SER B 365 4.984 8.505 12.358 1.00 10.00 C ATOM 1368 O SER B 365 5.914 7.768 12.696 1.00 10.00 O ATOM 1369 CB SER B 365 3.537 8.704 14.387 1.00 10.00 C ATOM 1370 OG SER B 365 2.278 8.403 14.967 1.00 10.00 O ATOM 0 H SER B 365 3.756 6.240 13.264 1.00 10.00 H new ATOM 0 HA SER B 365 2.882 8.922 12.350 1.00 10.00 H new ATOM 0 HB2 SER B 365 4.325 8.184 14.932 1.00 10.00 H new ATOM 0 HB3 SER B 365 3.737 9.772 14.479 1.00 10.00 H new ATOM 0 HG SER B 365 2.280 8.671 15.910 1.00 10.00 H new