USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 28 SER OG : rot -121:sc= 0.983 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.13 K(o=1.1,f=-0.023) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.688) USER MOD Single : A 25 GLN : amide:sc= 2.07 K(o=2.1,f=-1) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.12) USER MOD Single : A 37 HIS : no HD1:sc= 0.924 K(o=0.92,f=-5.8!) USER MOD Single : A 38 THR OG1 : rot -62:sc= -0.46! USER MOD Single : A 41 SER OG : rot -82:sc= 1.38 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 1.65 (180deg=1.28) USER MOD Single : A 44 MET CE :methyl 171:sc= -0.422 (180deg=-0.68) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -40:sc= -0.277 USER MOD Single : A 51 GLN : amide:sc= -0.0435 X(o=-0.044,f=-0.055) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.02 (180deg=-0.309) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0458 F(o=-1.1,f=-0.046) USER MOD Single : A 68 ASN : amide:sc= 1.2 K(o=1.2,f=-0.031) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.77 USER MOD Single : A 75 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.65) USER MOD Single : A 78 MET CE :methyl 127:sc= -0.0116 (180deg=-0.254) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 89 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.95) USER MOD Single : A 90 GLN : amide:sc= -0.834 K(o=-0.83,f=-2.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.154 USER MOD Single : B 357 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.29) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.163 23.446 5.601 1.00 10.00 N ATOM 2 CA ASP A 16 -6.108 22.428 6.108 1.00 10.00 C ATOM 3 C ASP A 16 -5.724 21.051 5.599 1.00 10.00 C ATOM 4 O ASP A 16 -4.855 20.916 4.736 1.00 10.00 O ATOM 5 CB ASP A 16 -7.540 22.750 5.669 1.00 10.00 C ATOM 6 CG ASP A 16 -8.280 23.618 6.663 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.955 23.063 7.559 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.199 24.859 6.544 1.00 10.00 O ATOM 0 HA ASP A 16 -6.060 22.438 7.197 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.514 23.254 4.703 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.089 21.819 5.528 1.00 10.00 H new ATOM 13 N HIS A 17 -6.369 20.033 6.144 1.00 10.00 N ATOM 14 CA HIS A 17 -6.114 18.657 5.748 1.00 10.00 C ATOM 15 C HIS A 17 -7.060 18.248 4.628 1.00 10.00 C ATOM 16 O HIS A 17 -8.113 18.861 4.447 1.00 10.00 O ATOM 17 CB HIS A 17 -6.288 17.716 6.941 1.00 10.00 C ATOM 18 CG HIS A 17 -5.089 17.647 7.835 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.902 18.540 8.861 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.049 16.786 7.803 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.760 18.199 9.429 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.207 17.140 8.823 1.00 10.00 N ATOM 0 H HIS A 17 -7.080 20.135 6.869 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.087 18.587 5.391 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.148 18.041 7.526 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.513 16.715 6.573 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.908 15.973 7.106 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.326 18.710 10.276 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.329 16.685 9.073 1.00 10.00 H new ATOM 30 N ILE A 18 -6.688 17.224 3.882 1.00 10.00 N ATOM 31 CA ILE A 18 -7.512 16.741 2.787 1.00 10.00 C ATOM 32 C ILE A 18 -7.961 15.308 3.060 1.00 10.00 C ATOM 33 O ILE A 18 -7.168 14.462 3.479 1.00 10.00 O ATOM 34 CB ILE A 18 -6.769 16.833 1.430 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.690 16.436 0.277 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.510 15.976 1.430 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.077 16.654 -1.091 1.00 10.00 C ATOM 0 H ILE A 18 -5.818 16.709 4.014 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.392 17.381 2.720 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.468 17.871 1.287 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.958 15.385 0.383 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.614 17.009 0.347 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.011 16.062 0.465 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.838 16.317 2.217 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.779 14.935 1.608 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.787 16.351 -1.860 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.834 17.709 -1.217 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.168 16.059 -1.181 1.00 10.00 H new ATOM 49 N ASN A 19 -9.240 15.047 2.851 1.00 10.00 N ATOM 50 CA ASN A 19 -9.788 13.720 3.086 1.00 10.00 C ATOM 51 C ASN A 19 -9.536 12.818 1.891 1.00 10.00 C ATOM 52 O ASN A 19 -10.246 12.892 0.895 1.00 10.00 O ATOM 53 CB ASN A 19 -11.295 13.793 3.357 1.00 10.00 C ATOM 54 CG ASN A 19 -11.650 14.672 4.541 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.602 14.234 5.690 1.00 10.00 O ATOM 56 ND2 ASN A 19 -12.028 15.914 4.266 1.00 10.00 N ATOM 0 H ASN A 19 -9.918 15.734 2.520 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.288 13.305 3.961 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.799 14.172 2.468 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.674 12.787 3.534 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.293 16.546 5.022 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -12.054 16.237 3.299 1.00 10.00 H new ATOM 63 N LEU A 20 -8.516 11.986 1.974 1.00 10.00 N ATOM 64 CA LEU A 20 -8.216 11.071 0.886 1.00 10.00 C ATOM 65 C LEU A 20 -8.753 9.690 1.218 1.00 10.00 C ATOM 66 O LEU A 20 -8.463 9.139 2.282 1.00 10.00 O ATOM 67 CB LEU A 20 -6.711 11.020 0.601 1.00 10.00 C ATOM 68 CG LEU A 20 -6.138 12.261 -0.093 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.707 12.009 -0.544 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.001 12.667 -1.279 1.00 10.00 C ATOM 0 H LEU A 20 -7.886 11.923 2.774 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.704 11.433 -0.019 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.183 10.874 1.543 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.504 10.148 -0.019 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.138 13.079 0.627 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.318 12.901 -1.034 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.089 11.772 0.322 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.688 11.173 -1.243 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.574 13.550 -1.755 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.038 11.849 -1.999 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.010 12.893 -0.934 1.00 10.00 H new ATOM 82 N LYS A 21 -9.556 9.148 0.319 1.00 10.00 N ATOM 83 CA LYS A 21 -10.156 7.840 0.518 1.00 10.00 C ATOM 84 C LYS A 21 -9.430 6.778 -0.293 1.00 10.00 C ATOM 85 O LYS A 21 -9.251 6.917 -1.501 1.00 10.00 O ATOM 86 CB LYS A 21 -11.636 7.866 0.117 1.00 10.00 C ATOM 87 CG LYS A 21 -12.451 8.927 0.838 1.00 10.00 C ATOM 88 CD LYS A 21 -13.819 9.109 0.196 1.00 10.00 C ATOM 89 CE LYS A 21 -14.622 10.192 0.897 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.925 10.449 0.226 1.00 10.00 N ATOM 0 H LYS A 21 -9.809 9.597 -0.561 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.071 7.591 1.576 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.708 8.034 -0.958 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.074 6.888 0.317 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.573 8.646 1.884 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.912 9.874 0.823 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.697 9.368 -0.856 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.367 8.167 0.231 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.800 9.898 1.931 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.041 11.114 0.923 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.280 11.386 0.505 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.796 10.421 -0.806 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.611 9.720 0.509 1.00 10.00 H new ATOM 104 N VAL A 22 -8.994 5.727 0.374 1.00 10.00 N ATOM 105 CA VAL A 22 -8.315 4.633 -0.295 1.00 10.00 C ATOM 106 C VAL A 22 -9.238 3.426 -0.324 1.00 10.00 C ATOM 107 O VAL A 22 -9.791 3.036 0.708 1.00 10.00 O ATOM 108 CB VAL A 22 -6.980 4.274 0.396 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.393 2.991 -0.173 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.991 5.418 0.250 1.00 10.00 C ATOM 0 H VAL A 22 -9.098 5.607 1.382 1.00 10.00 H new ATOM 0 HA VAL A 22 -8.073 4.945 -1.311 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.180 4.110 1.455 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.454 2.765 0.333 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.095 2.171 -0.020 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.209 3.117 -1.240 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.054 5.154 0.741 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.806 5.606 -0.808 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.402 6.316 0.712 1.00 10.00 H new ATOM 120 N ALA A 23 -9.427 2.856 -1.503 1.00 10.00 N ATOM 121 CA ALA A 23 -10.306 1.713 -1.653 1.00 10.00 C ATOM 122 C ALA A 23 -9.524 0.447 -1.973 1.00 10.00 C ATOM 123 O ALA A 23 -8.879 0.347 -3.017 1.00 10.00 O ATOM 124 CB ALA A 23 -11.341 1.980 -2.735 1.00 10.00 C ATOM 0 H ALA A 23 -8.983 3.167 -2.367 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.817 1.559 -0.702 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.994 1.113 -2.836 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.936 2.852 -2.463 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.836 2.167 -3.683 1.00 10.00 H new ATOM 130 N GLY A 24 -9.570 -0.507 -1.056 1.00 10.00 N ATOM 131 CA GLY A 24 -8.888 -1.764 -1.267 1.00 10.00 C ATOM 132 C GLY A 24 -9.718 -2.688 -2.136 1.00 10.00 C ATOM 133 O GLY A 24 -10.930 -2.496 -2.261 1.00 10.00 O ATOM 0 H GLY A 24 -10.068 -0.432 -0.169 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.922 -1.584 -1.739 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.690 -2.241 -0.307 1.00 10.00 H new ATOM 137 N GLN A 25 -9.087 -3.697 -2.717 1.00 10.00 N ATOM 138 CA GLN A 25 -9.792 -4.638 -3.586 1.00 10.00 C ATOM 139 C GLN A 25 -10.816 -5.444 -2.793 1.00 10.00 C ATOM 140 O GLN A 25 -11.780 -5.969 -3.352 1.00 10.00 O ATOM 141 CB GLN A 25 -8.802 -5.580 -4.278 1.00 10.00 C ATOM 142 CG GLN A 25 -7.714 -4.860 -5.064 1.00 10.00 C ATOM 143 CD GLN A 25 -8.267 -3.816 -6.019 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.337 -3.986 -6.601 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.541 -2.723 -6.172 1.00 10.00 N ATOM 0 H GLN A 25 -8.091 -3.888 -2.606 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.318 -4.063 -4.348 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -8.334 -6.216 -3.526 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.351 -6.236 -4.953 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.027 -4.380 -4.367 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.136 -5.592 -5.629 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.659 -2.622 -5.670 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.863 -1.980 -6.792 1.00 10.00 H new ATOM 154 N ASP A 26 -10.603 -5.529 -1.487 1.00 10.00 N ATOM 155 CA ASP A 26 -11.503 -6.264 -0.606 1.00 10.00 C ATOM 156 C ASP A 26 -12.685 -5.398 -0.178 1.00 10.00 C ATOM 157 O ASP A 26 -13.627 -5.886 0.443 1.00 10.00 O ATOM 158 CB ASP A 26 -10.752 -6.774 0.629 1.00 10.00 C ATOM 159 CG ASP A 26 -10.285 -5.659 1.544 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.222 -5.066 1.272 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.967 -5.380 2.549 1.00 10.00 O ATOM 0 H ASP A 26 -9.811 -5.096 -1.012 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.888 -7.118 -1.163 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -11.401 -7.448 1.189 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.889 -7.357 0.307 1.00 10.00 H new ATOM 166 N GLY A 27 -12.640 -4.118 -0.519 1.00 10.00 N ATOM 167 CA GLY A 27 -13.721 -3.220 -0.161 1.00 10.00 C ATOM 168 C GLY A 27 -13.435 -2.443 1.109 1.00 10.00 C ATOM 169 O GLY A 27 -14.357 -1.946 1.760 1.00 10.00 O ATOM 0 H GLY A 27 -11.875 -3.685 -1.037 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.894 -2.521 -0.979 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.638 -3.794 -0.033 1.00 10.00 H new ATOM 173 N SER A 28 -12.164 -2.334 1.460 1.00 10.00 N ATOM 174 CA SER A 28 -11.758 -1.610 2.653 1.00 10.00 C ATOM 175 C SER A 28 -11.752 -0.107 2.402 1.00 10.00 C ATOM 176 O SER A 28 -11.058 0.375 1.503 1.00 10.00 O ATOM 177 CB SER A 28 -10.360 -2.062 3.082 1.00 10.00 C ATOM 178 OG SER A 28 -9.615 -2.521 1.962 1.00 10.00 O ATOM 0 H SER A 28 -11.392 -2.740 0.932 1.00 10.00 H new ATOM 0 HA SER A 28 -12.475 -1.827 3.445 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.835 -1.235 3.560 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.441 -2.858 3.822 1.00 10.00 H new ATOM 0 HG SER A 28 -9.341 -3.450 2.110 1.00 10.00 H new ATOM 184 N VAL A 29 -12.539 0.628 3.172 1.00 10.00 N ATOM 185 CA VAL A 29 -12.580 2.072 3.039 1.00 10.00 C ATOM 186 C VAL A 29 -11.631 2.689 4.065 1.00 10.00 C ATOM 187 O VAL A 29 -11.909 2.724 5.267 1.00 10.00 O ATOM 188 CB VAL A 29 -14.020 2.641 3.175 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.700 2.176 4.454 1.00 10.00 C ATOM 190 CG2 VAL A 29 -14.008 4.160 3.090 1.00 10.00 C ATOM 0 H VAL A 29 -13.154 0.249 3.892 1.00 10.00 H new ATOM 0 HA VAL A 29 -12.253 2.338 2.034 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.603 2.250 2.341 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.704 2.598 4.507 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.763 1.088 4.458 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -14.121 2.509 5.316 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -15.026 4.538 3.187 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -13.392 4.565 3.893 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -13.597 4.467 2.128 1.00 10.00 H new ATOM 200 N VAL A 30 -10.480 3.123 3.586 1.00 10.00 N ATOM 201 CA VAL A 30 -9.466 3.700 4.450 1.00 10.00 C ATOM 202 C VAL A 30 -9.559 5.223 4.485 1.00 10.00 C ATOM 203 O VAL A 30 -9.571 5.878 3.440 1.00 10.00 O ATOM 204 CB VAL A 30 -8.049 3.297 3.995 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.081 3.318 5.164 1.00 10.00 C ATOM 206 CG2 VAL A 30 -8.056 1.926 3.330 1.00 10.00 C ATOM 0 H VAL A 30 -10.223 3.087 2.600 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.650 3.309 5.451 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.714 4.028 3.259 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.088 3.030 4.819 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.042 4.322 5.586 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.417 2.617 5.927 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -7.044 1.667 3.019 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.420 1.181 4.037 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -8.709 1.948 2.458 1.00 10.00 H new ATOM 216 N GLN A 31 -9.635 5.773 5.690 1.00 10.00 N ATOM 217 CA GLN A 31 -9.706 7.216 5.875 1.00 10.00 C ATOM 218 C GLN A 31 -8.302 7.764 6.104 1.00 10.00 C ATOM 219 O GLN A 31 -7.702 7.538 7.157 1.00 10.00 O ATOM 220 CB GLN A 31 -10.607 7.569 7.060 1.00 10.00 C ATOM 221 CG GLN A 31 -10.853 9.064 7.212 1.00 10.00 C ATOM 222 CD GLN A 31 -11.725 9.403 8.408 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.564 8.605 8.824 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.535 10.587 8.969 1.00 10.00 N ATOM 0 H GLN A 31 -9.649 5.238 6.558 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.134 7.666 4.979 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.564 7.061 6.942 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.155 7.188 7.976 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.896 9.576 7.310 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.325 9.443 6.306 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.829 11.221 8.595 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.094 10.865 9.775 1.00 10.00 H new ATOM 233 N PHE A 32 -7.781 8.465 5.112 1.00 10.00 N ATOM 234 CA PHE A 32 -6.441 9.026 5.188 1.00 10.00 C ATOM 235 C PHE A 32 -6.464 10.500 5.571 1.00 10.00 C ATOM 236 O PHE A 32 -6.921 11.345 4.798 1.00 10.00 O ATOM 237 CB PHE A 32 -5.727 8.874 3.844 1.00 10.00 C ATOM 238 CG PHE A 32 -4.806 7.697 3.765 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.297 6.431 3.497 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.445 7.862 3.941 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.442 5.348 3.407 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.588 6.787 3.855 1.00 10.00 C ATOM 243 CZ PHE A 32 -3.086 5.527 3.586 1.00 10.00 C ATOM 0 H PHE A 32 -8.269 8.661 4.238 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.906 8.476 5.962 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.475 8.788 3.056 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.156 9.781 3.644 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.358 6.288 3.357 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.049 8.845 4.148 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.835 4.364 3.197 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.527 6.929 3.998 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.415 4.684 3.516 1.00 10.00 H new ATOM 253 N LYS A 33 -5.991 10.805 6.770 1.00 10.00 N ATOM 254 CA LYS A 33 -5.909 12.185 7.219 1.00 10.00 C ATOM 255 C LYS A 33 -4.537 12.721 6.838 1.00 10.00 C ATOM 256 O LYS A 33 -3.576 12.602 7.602 1.00 10.00 O ATOM 257 CB LYS A 33 -6.126 12.293 8.727 1.00 10.00 C ATOM 258 CG LYS A 33 -6.131 13.729 9.234 1.00 10.00 C ATOM 259 CD LYS A 33 -6.334 13.792 10.739 1.00 10.00 C ATOM 260 CE LYS A 33 -6.291 15.226 11.247 1.00 10.00 C ATOM 261 NZ LYS A 33 -6.576 15.310 12.702 1.00 10.00 N ATOM 0 H LYS A 33 -5.659 10.118 7.447 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.693 12.772 6.742 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.074 11.821 8.985 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.342 11.736 9.241 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.188 14.210 8.973 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -6.923 14.288 8.736 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.292 13.342 10.997 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -5.562 13.205 11.236 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.309 15.653 11.045 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.018 15.826 10.700 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -6.537 16.304 13.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.524 14.927 12.893 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -5.867 14.759 13.227 1.00 10.00 H new ATOM 275 N ILE A 34 -4.453 13.281 5.643 1.00 10.00 N ATOM 276 CA ILE A 34 -3.197 13.793 5.119 1.00 10.00 C ATOM 277 C ILE A 34 -3.370 15.236 4.619 1.00 10.00 C ATOM 278 O ILE A 34 -4.497 15.706 4.460 1.00 10.00 O ATOM 279 CB ILE A 34 -2.713 12.874 3.961 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.395 13.357 3.342 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.788 12.773 2.890 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.873 12.458 2.238 1.00 10.00 C ATOM 0 H ILE A 34 -5.247 13.393 5.012 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.451 13.798 5.914 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.526 11.888 4.388 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.538 14.361 2.943 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.641 13.430 4.126 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.439 12.127 2.084 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.696 12.353 3.324 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.001 13.766 2.493 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.061 12.864 1.849 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.697 11.458 2.635 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.608 12.405 1.434 1.00 10.00 H new ATOM 294 N LYS A 35 -2.268 15.950 4.401 1.00 10.00 N ATOM 295 CA LYS A 35 -2.339 17.310 3.889 1.00 10.00 C ATOM 296 C LYS A 35 -2.242 17.289 2.365 1.00 10.00 C ATOM 297 O LYS A 35 -2.086 16.228 1.764 1.00 10.00 O ATOM 298 CB LYS A 35 -1.233 18.191 4.475 1.00 10.00 C ATOM 299 CG LYS A 35 -1.422 18.515 5.948 1.00 10.00 C ATOM 300 CD LYS A 35 -0.626 19.747 6.352 1.00 10.00 C ATOM 301 CE LYS A 35 -0.610 19.927 7.861 1.00 10.00 C ATOM 302 NZ LYS A 35 0.705 20.425 8.346 1.00 10.00 N ATOM 0 H LYS A 35 -1.322 15.609 4.571 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.295 17.737 4.190 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.274 17.690 4.343 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.186 19.122 3.911 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.480 18.680 6.153 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.109 17.664 6.552 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.396 19.658 5.984 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -1.058 20.631 5.883 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.393 20.627 8.151 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.838 18.976 8.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.838 20.145 9.339 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.466 20.017 7.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.732 21.462 8.273 1.00 10.00 H new ATOM 316 N ARG A 36 -2.311 18.454 1.740 1.00 10.00 N ATOM 317 CA ARG A 36 -2.257 18.526 0.284 1.00 10.00 C ATOM 318 C ARG A 36 -0.821 18.620 -0.227 1.00 10.00 C ATOM 319 O ARG A 36 -0.556 18.350 -1.397 1.00 10.00 O ATOM 320 CB ARG A 36 -3.078 19.715 -0.223 1.00 10.00 C ATOM 321 CG ARG A 36 -4.516 19.717 0.271 1.00 10.00 C ATOM 322 CD ARG A 36 -5.371 20.722 -0.486 1.00 10.00 C ATOM 323 NE ARG A 36 -5.884 20.173 -1.742 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.060 20.506 -2.278 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.847 21.386 -1.672 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.455 19.963 -3.421 1.00 10.00 N ATOM 0 H ARG A 36 -2.404 19.355 2.210 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.687 17.603 -0.105 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.594 20.640 0.090 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.077 19.708 -1.313 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.941 18.720 0.158 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.535 19.952 1.335 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.207 21.032 0.142 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.781 21.614 -0.695 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.307 19.494 -2.238 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.554 21.811 -0.792 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.745 21.637 -2.086 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -6.859 19.286 -3.897 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -8.355 20.222 -3.825 1.00 10.00 H new ATOM 340 N HIS A 37 0.105 18.993 0.646 1.00 10.00 N ATOM 341 CA HIS A 37 1.504 19.121 0.247 1.00 10.00 C ATOM 342 C HIS A 37 2.320 17.891 0.654 1.00 10.00 C ATOM 343 O HIS A 37 3.464 17.731 0.228 1.00 10.00 O ATOM 344 CB HIS A 37 2.121 20.407 0.827 1.00 10.00 C ATOM 345 CG HIS A 37 2.571 20.309 2.257 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.848 20.655 2.623 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.888 19.919 3.358 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.917 20.465 3.927 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.753 20.020 4.419 1.00 10.00 N ATOM 0 H HIS A 37 -0.082 19.211 1.625 1.00 10.00 H new ATOM 0 HA HIS A 37 1.533 19.187 -0.841 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.975 20.691 0.212 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.389 21.211 0.747 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.860 19.591 3.395 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.800 20.645 4.522 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.549 19.799 5.394 1.00 10.00 H new ATOM 357 N THR A 38 1.724 17.026 1.468 1.00 10.00 N ATOM 358 CA THR A 38 2.391 15.816 1.927 1.00 10.00 C ATOM 359 C THR A 38 2.557 14.821 0.772 1.00 10.00 C ATOM 360 O THR A 38 1.588 14.484 0.093 1.00 10.00 O ATOM 361 CB THR A 38 1.598 15.154 3.075 1.00 10.00 C ATOM 362 OG1 THR A 38 1.145 16.155 4.001 1.00 10.00 O ATOM 363 CG2 THR A 38 2.446 14.127 3.810 1.00 10.00 C ATOM 0 H THR A 38 0.775 17.143 1.824 1.00 10.00 H new ATOM 0 HA THR A 38 3.377 16.097 2.298 1.00 10.00 H new ATOM 0 HB THR A 38 0.740 14.643 2.639 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.918 16.607 4.399 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.860 13.678 4.612 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.762 13.350 3.113 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.325 14.615 4.232 1.00 10.00 H new ATOM 371 N PRO A 39 3.795 14.358 0.524 1.00 10.00 N ATOM 372 CA PRO A 39 4.093 13.403 -0.554 1.00 10.00 C ATOM 373 C PRO A 39 3.255 12.128 -0.469 1.00 10.00 C ATOM 374 O PRO A 39 3.111 11.531 0.603 1.00 10.00 O ATOM 375 CB PRO A 39 5.574 13.080 -0.348 1.00 10.00 C ATOM 376 CG PRO A 39 6.123 14.248 0.393 1.00 10.00 C ATOM 377 CD PRO A 39 5.008 14.740 1.271 1.00 10.00 C ATOM 0 HA PRO A 39 3.863 13.823 -1.533 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.702 12.158 0.218 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.084 12.942 -1.301 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.990 13.961 0.987 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.452 15.027 -0.295 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.037 14.275 2.256 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.063 15.818 1.425 1.00 10.00 H new ATOM 385 N LEU A 40 2.727 11.701 -1.612 1.00 10.00 N ATOM 386 CA LEU A 40 1.896 10.502 -1.681 1.00 10.00 C ATOM 387 C LEU A 40 2.719 9.245 -1.419 1.00 10.00 C ATOM 388 O LEU A 40 2.166 8.173 -1.165 1.00 10.00 O ATOM 389 CB LEU A 40 1.198 10.413 -3.038 1.00 10.00 C ATOM 390 CG LEU A 40 0.040 11.398 -3.231 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.501 11.313 -4.648 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.068 11.128 -2.220 1.00 10.00 C ATOM 0 H LEU A 40 2.860 12.170 -2.508 1.00 10.00 H new ATOM 0 HA LEU A 40 1.137 10.574 -0.902 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.936 10.583 -3.822 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.820 9.399 -3.171 1.00 10.00 H new ATOM 0 HG LEU A 40 0.417 12.407 -3.066 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.323 12.019 -4.767 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.292 11.556 -5.355 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.861 10.302 -4.840 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.881 11.838 -2.373 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.442 10.113 -2.353 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.674 11.240 -1.210 1.00 10.00 H new ATOM 404 N SER A 41 4.037 9.382 -1.473 1.00 10.00 N ATOM 405 CA SER A 41 4.932 8.267 -1.210 1.00 10.00 C ATOM 406 C SER A 41 4.761 7.819 0.238 1.00 10.00 C ATOM 407 O SER A 41 4.828 6.631 0.555 1.00 10.00 O ATOM 408 CB SER A 41 6.372 8.698 -1.473 1.00 10.00 C ATOM 409 OG SER A 41 6.457 10.113 -1.563 1.00 10.00 O ATOM 0 H SER A 41 4.510 10.258 -1.697 1.00 10.00 H new ATOM 0 HA SER A 41 4.693 7.432 -1.869 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.018 8.339 -0.672 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.730 8.246 -2.398 1.00 10.00 H new ATOM 0 HG SER A 41 6.205 10.399 -2.466 1.00 10.00 H new ATOM 415 N LYS A 42 4.508 8.794 1.105 1.00 10.00 N ATOM 416 CA LYS A 42 4.293 8.534 2.517 1.00 10.00 C ATOM 417 C LYS A 42 2.952 7.834 2.695 1.00 10.00 C ATOM 418 O LYS A 42 2.794 6.971 3.555 1.00 10.00 O ATOM 419 CB LYS A 42 4.320 9.851 3.296 1.00 10.00 C ATOM 420 CG LYS A 42 4.611 9.688 4.776 1.00 10.00 C ATOM 421 CD LYS A 42 4.714 11.038 5.472 1.00 10.00 C ATOM 422 CE LYS A 42 5.611 10.971 6.696 1.00 10.00 C ATOM 423 NZ LYS A 42 5.857 12.316 7.272 1.00 10.00 N ATOM 0 H LYS A 42 4.447 9.779 0.847 1.00 10.00 H new ATOM 0 HA LYS A 42 5.085 7.891 2.901 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.074 10.505 2.858 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.358 10.350 3.178 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.822 9.096 5.241 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.542 9.137 4.907 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.105 11.778 4.774 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.719 11.372 5.767 1.00 10.00 H new ATOM 0 HE2 LYS A 42 5.151 10.331 7.449 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.562 10.512 6.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.786 12.329 7.740 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 5.842 13.027 6.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.116 12.537 7.967 1.00 10.00 H new ATOM 437 N LEU A 43 2.001 8.205 1.843 1.00 10.00 N ATOM 438 CA LEU A 43 0.668 7.626 1.862 1.00 10.00 C ATOM 439 C LEU A 43 0.739 6.148 1.498 1.00 10.00 C ATOM 440 O LEU A 43 0.097 5.305 2.127 1.00 10.00 O ATOM 441 CB LEU A 43 -0.241 8.378 0.880 1.00 10.00 C ATOM 442 CG LEU A 43 -1.712 7.953 0.873 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.611 9.169 0.732 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.984 6.963 -0.253 1.00 10.00 C ATOM 0 H LEU A 43 2.135 8.914 1.122 1.00 10.00 H new ATOM 0 HA LEU A 43 0.250 7.718 2.865 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.191 9.442 1.111 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.159 8.251 -0.126 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.930 7.462 1.821 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.654 8.852 0.728 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.440 9.847 1.569 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.385 9.682 -0.203 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.035 6.675 -0.238 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.748 7.427 -1.211 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.363 6.077 -0.117 1.00 10.00 H new ATOM 456 N MET A 44 1.540 5.844 0.479 1.00 10.00 N ATOM 457 CA MET A 44 1.720 4.469 0.027 1.00 10.00 C ATOM 458 C MET A 44 2.313 3.618 1.141 1.00 10.00 C ATOM 459 O MET A 44 1.842 2.513 1.413 1.00 10.00 O ATOM 460 CB MET A 44 2.629 4.414 -1.206 1.00 10.00 C ATOM 461 CG MET A 44 2.040 5.088 -2.436 1.00 10.00 C ATOM 462 SD MET A 44 2.853 4.591 -3.969 1.00 10.00 S ATOM 463 CE MET A 44 4.499 5.251 -3.714 1.00 10.00 C ATOM 0 H MET A 44 2.075 6.534 -0.049 1.00 10.00 H new ATOM 0 HA MET A 44 0.741 4.073 -0.243 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.581 4.887 -0.965 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.842 3.371 -1.442 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.978 4.850 -2.501 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.118 6.169 -2.324 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.162 4.889 -4.500 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.463 6.340 -3.743 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.875 4.926 -2.744 1.00 10.00 H new ATOM 473 N LYS A 45 3.340 4.152 1.791 1.00 10.00 N ATOM 474 CA LYS A 45 4.006 3.455 2.883 1.00 10.00 C ATOM 475 C LYS A 45 3.069 3.280 4.072 1.00 10.00 C ATOM 476 O LYS A 45 3.086 2.246 4.731 1.00 10.00 O ATOM 477 CB LYS A 45 5.264 4.211 3.317 1.00 10.00 C ATOM 478 CG LYS A 45 6.367 4.208 2.273 1.00 10.00 C ATOM 479 CD LYS A 45 7.650 4.823 2.807 1.00 10.00 C ATOM 480 CE LYS A 45 7.518 6.326 3.009 1.00 10.00 C ATOM 481 NZ LYS A 45 8.841 6.980 3.198 1.00 10.00 N ATOM 0 H LYS A 45 3.731 5.070 1.579 1.00 10.00 H new ATOM 0 HA LYS A 45 4.294 2.468 2.521 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.996 5.242 3.547 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.645 3.767 4.237 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.561 3.185 1.952 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.037 4.761 1.394 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.912 4.351 3.754 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.466 4.620 2.113 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.016 6.765 2.147 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.889 6.521 3.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.707 8.003 3.332 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.310 6.579 4.036 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.433 6.816 2.359 1.00 10.00 H new ATOM 495 N ALA A 46 2.246 4.290 4.332 1.00 10.00 N ATOM 496 CA ALA A 46 1.300 4.247 5.444 1.00 10.00 C ATOM 497 C ALA A 46 0.365 3.046 5.330 1.00 10.00 C ATOM 498 O ALA A 46 0.202 2.283 6.285 1.00 10.00 O ATOM 499 CB ALA A 46 0.500 5.538 5.505 1.00 10.00 C ATOM 0 H ALA A 46 2.214 5.151 3.787 1.00 10.00 H new ATOM 0 HA ALA A 46 1.870 4.140 6.367 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.201 5.492 6.338 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.178 6.380 5.647 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.051 5.669 4.574 1.00 10.00 H new ATOM 505 N TYR A 47 -0.240 2.872 4.160 1.00 10.00 N ATOM 506 CA TYR A 47 -1.151 1.753 3.939 1.00 10.00 C ATOM 507 C TYR A 47 -0.372 0.444 3.899 1.00 10.00 C ATOM 508 O TYR A 47 -0.851 -0.597 4.353 1.00 10.00 O ATOM 509 CB TYR A 47 -1.936 1.939 2.637 1.00 10.00 C ATOM 510 CG TYR A 47 -3.021 0.906 2.431 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.951 -0.001 1.379 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.111 0.831 3.290 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.938 -0.949 1.191 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.102 -0.115 3.104 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.009 -1.003 2.054 1.00 10.00 C ATOM 516 OH TYR A 47 -5.990 -1.951 1.870 1.00 10.00 O ATOM 0 H TYR A 47 -0.118 3.486 3.355 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.861 1.720 4.765 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.386 2.932 2.632 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.244 1.899 1.796 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.113 0.036 0.699 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.185 1.523 4.116 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.870 -1.646 0.369 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.945 -0.158 3.778 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.673 -1.854 2.566 1.00 10.00 H new ATOM 526 N CYS A 48 0.840 0.512 3.365 1.00 10.00 N ATOM 527 CA CYS A 48 1.706 -0.654 3.259 1.00 10.00 C ATOM 528 C CYS A 48 2.040 -1.211 4.645 1.00 10.00 C ATOM 529 O CYS A 48 1.998 -2.424 4.862 1.00 10.00 O ATOM 530 CB CYS A 48 2.989 -0.280 2.514 1.00 10.00 C ATOM 531 SG CYS A 48 4.036 -1.687 2.091 1.00 10.00 S ATOM 0 H CYS A 48 1.248 1.371 2.996 1.00 10.00 H new ATOM 0 HA CYS A 48 1.181 -1.429 2.700 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.723 0.249 1.599 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.563 0.414 3.128 1.00 10.00 H new ATOM 0 HG CYS A 48 4.049 -2.531 3.080 1.00 10.00 H new ATOM 537 N GLU A 49 2.365 -0.320 5.576 1.00 10.00 N ATOM 538 CA GLU A 49 2.698 -0.717 6.938 1.00 10.00 C ATOM 539 C GLU A 49 1.447 -1.169 7.687 1.00 10.00 C ATOM 540 O GLU A 49 1.517 -2.020 8.576 1.00 10.00 O ATOM 541 CB GLU A 49 3.367 0.442 7.677 1.00 10.00 C ATOM 542 CG GLU A 49 4.707 0.842 7.082 1.00 10.00 C ATOM 543 CD GLU A 49 5.815 -0.132 7.423 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.707 0.237 8.213 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.804 -1.266 6.901 1.00 10.00 O ATOM 0 H GLU A 49 2.405 0.686 5.410 1.00 10.00 H new ATOM 0 HA GLU A 49 3.394 -1.555 6.893 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.700 1.304 7.665 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.510 0.164 8.721 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.612 0.912 5.998 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.978 1.834 7.443 1.00 10.00 H new ATOM 552 N ARG A 50 0.306 -0.593 7.317 1.00 10.00 N ATOM 553 CA ARG A 50 -0.974 -0.933 7.930 1.00 10.00 C ATOM 554 C ARG A 50 -1.306 -2.397 7.666 1.00 10.00 C ATOM 555 O ARG A 50 -1.625 -3.151 8.585 1.00 10.00 O ATOM 556 CB ARG A 50 -2.081 -0.036 7.361 1.00 10.00 C ATOM 557 CG ARG A 50 -3.432 -0.174 8.053 1.00 10.00 C ATOM 558 CD ARG A 50 -3.537 0.725 9.275 1.00 10.00 C ATOM 559 NE ARG A 50 -3.173 0.029 10.506 1.00 10.00 N ATOM 560 CZ ARG A 50 -4.044 -0.621 11.274 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.338 -0.652 10.951 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.617 -1.231 12.373 1.00 10.00 N ATOM 0 H ARG A 50 0.243 0.118 6.588 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.905 -0.774 9.006 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.758 1.003 7.428 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.206 -0.263 6.302 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.227 0.074 7.350 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.583 -1.211 8.351 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.888 1.591 9.144 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.556 1.101 9.360 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.195 0.042 10.794 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.665 -0.176 10.111 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -6.000 -1.152 11.544 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.629 -1.199 12.623 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.277 -1.732 12.968 1.00 10.00 H new ATOM 576 N GLN A 51 -1.198 -2.796 6.404 1.00 10.00 N ATOM 577 CA GLN A 51 -1.493 -4.165 6.006 1.00 10.00 C ATOM 578 C GLN A 51 -0.303 -5.084 6.270 1.00 10.00 C ATOM 579 O GLN A 51 -0.432 -6.304 6.206 1.00 10.00 O ATOM 580 CB GLN A 51 -1.867 -4.212 4.524 1.00 10.00 C ATOM 581 CG GLN A 51 -3.024 -3.291 4.156 1.00 10.00 C ATOM 582 CD GLN A 51 -4.314 -3.662 4.861 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.585 -3.202 5.968 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.123 -4.485 4.215 1.00 10.00 N ATOM 0 H GLN A 51 -0.907 -2.188 5.638 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.335 -4.516 6.603 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.995 -3.941 3.929 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.129 -5.236 4.257 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.760 -2.264 4.408 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.181 -3.325 3.078 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -4.859 -4.844 3.297 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.011 -4.761 4.634 1.00 10.00 H new ATOM 593 N GLY A 52 0.851 -4.494 6.554 1.00 10.00 N ATOM 594 CA GLY A 52 2.045 -5.275 6.826 1.00 10.00 C ATOM 595 C GLY A 52 2.529 -6.034 5.606 1.00 10.00 C ATOM 596 O GLY A 52 2.713 -7.254 5.652 1.00 10.00 O ATOM 0 H GLY A 52 0.983 -3.484 6.601 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.837 -4.613 7.177 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.839 -5.980 7.631 1.00 10.00 H new ATOM 600 N LEU A 53 2.738 -5.316 4.513 1.00 10.00 N ATOM 601 CA LEU A 53 3.192 -5.927 3.273 1.00 10.00 C ATOM 602 C LEU A 53 4.368 -5.157 2.684 1.00 10.00 C ATOM 603 O LEU A 53 4.906 -4.247 3.319 1.00 10.00 O ATOM 604 CB LEU A 53 2.045 -5.981 2.259 1.00 10.00 C ATOM 605 CG LEU A 53 0.927 -6.968 2.592 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.266 -6.748 1.675 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.430 -8.402 2.485 1.00 10.00 C ATOM 0 H LEU A 53 2.600 -4.307 4.460 1.00 10.00 H new ATOM 0 HA LEU A 53 3.522 -6.942 3.497 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.613 -4.984 2.170 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.456 -6.239 1.283 1.00 10.00 H new ATOM 0 HG LEU A 53 0.607 -6.794 3.619 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.053 -7.459 1.925 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.640 -5.732 1.802 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.039 -6.895 0.639 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.620 -9.091 2.726 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.777 -8.591 1.469 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.253 -8.552 3.184 1.00 10.00 H new ATOM 619 N SER A 54 4.758 -5.529 1.471 1.00 10.00 N ATOM 620 CA SER A 54 5.861 -4.882 0.778 1.00 10.00 C ATOM 621 C SER A 54 5.327 -3.840 -0.199 1.00 10.00 C ATOM 622 O SER A 54 4.393 -4.113 -0.954 1.00 10.00 O ATOM 623 CB SER A 54 6.694 -5.931 0.037 1.00 10.00 C ATOM 624 OG SER A 54 7.747 -5.334 -0.705 1.00 10.00 O ATOM 0 H SER A 54 4.320 -6.284 0.944 1.00 10.00 H new ATOM 0 HA SER A 54 6.496 -4.379 1.507 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.109 -6.639 0.754 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.051 -6.499 -0.635 1.00 10.00 H new ATOM 0 HG SER A 54 8.260 -6.031 -1.164 1.00 10.00 H new ATOM 630 N MET A 55 5.929 -2.653 -0.190 1.00 10.00 N ATOM 631 CA MET A 55 5.498 -1.570 -1.070 1.00 10.00 C ATOM 632 C MET A 55 5.831 -1.889 -2.522 1.00 10.00 C ATOM 633 O MET A 55 5.213 -1.360 -3.443 1.00 10.00 O ATOM 634 CB MET A 55 6.158 -0.251 -0.661 1.00 10.00 C ATOM 635 CG MET A 55 5.502 0.974 -1.284 1.00 10.00 C ATOM 636 SD MET A 55 6.324 2.517 -0.838 1.00 10.00 S ATOM 637 CE MET A 55 7.867 2.356 -1.730 1.00 10.00 C ATOM 0 H MET A 55 6.715 -2.417 0.416 1.00 10.00 H new ATOM 0 HA MET A 55 4.417 -1.468 -0.975 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.125 -0.159 0.425 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.209 -0.276 -0.947 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.504 0.868 -2.369 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.459 1.020 -0.970 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.364 3.325 -1.775 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.511 1.641 -1.217 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.667 2.003 -2.742 1.00 10.00 H new ATOM 647 N ARG A 56 6.799 -2.771 -2.721 1.00 10.00 N ATOM 648 CA ARG A 56 7.208 -3.161 -4.060 1.00 10.00 C ATOM 649 C ARG A 56 6.300 -4.273 -4.587 1.00 10.00 C ATOM 650 O ARG A 56 6.368 -4.655 -5.755 1.00 10.00 O ATOM 651 CB ARG A 56 8.675 -3.607 -4.053 1.00 10.00 C ATOM 652 CG ARG A 56 9.262 -3.799 -5.439 1.00 10.00 C ATOM 653 CD ARG A 56 10.755 -4.080 -5.379 1.00 10.00 C ATOM 654 NE ARG A 56 11.271 -4.578 -6.653 1.00 10.00 N ATOM 655 CZ ARG A 56 12.317 -4.059 -7.294 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.943 -2.988 -6.813 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.730 -4.605 -8.429 1.00 10.00 N ATOM 0 H ARG A 56 7.316 -3.230 -1.971 1.00 10.00 H new ATOM 0 HA ARG A 56 7.115 -2.303 -4.725 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.268 -2.866 -3.517 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.758 -4.543 -3.500 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.755 -4.625 -5.938 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.083 -2.906 -6.038 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.285 -3.168 -5.105 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.955 -4.812 -4.596 1.00 10.00 H new ATOM 0 HE ARG A 56 10.799 -5.375 -7.079 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.623 -2.557 -5.946 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.743 -2.598 -7.311 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.247 -5.419 -8.808 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.531 -4.211 -8.923 1.00 10.00 H new ATOM 671 N GLN A 57 5.424 -4.766 -3.723 1.00 10.00 N ATOM 672 CA GLN A 57 4.501 -5.832 -4.087 1.00 10.00 C ATOM 673 C GLN A 57 3.142 -5.257 -4.488 1.00 10.00 C ATOM 674 O GLN A 57 2.351 -5.915 -5.165 1.00 10.00 O ATOM 675 CB GLN A 57 4.332 -6.806 -2.918 1.00 10.00 C ATOM 676 CG GLN A 57 3.658 -8.115 -3.298 1.00 10.00 C ATOM 677 CD GLN A 57 3.003 -8.794 -2.114 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.444 -8.648 -0.971 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.947 -9.550 -2.375 1.00 10.00 N ATOM 0 H GLN A 57 5.333 -4.443 -2.760 1.00 10.00 H new ATOM 0 HA GLN A 57 4.916 -6.368 -4.941 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.313 -7.023 -2.495 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.747 -6.321 -2.136 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.907 -7.924 -4.065 1.00 10.00 H new ATOM 0 HG3 GLN A 57 4.397 -8.787 -3.735 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.613 -9.646 -3.334 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.468 -10.037 -1.617 1.00 10.00 H new ATOM 688 N ILE A 58 2.879 -4.026 -4.072 1.00 10.00 N ATOM 689 CA ILE A 58 1.612 -3.369 -4.379 1.00 10.00 C ATOM 690 C ILE A 58 1.818 -2.186 -5.323 1.00 10.00 C ATOM 691 O ILE A 58 2.942 -1.721 -5.513 1.00 10.00 O ATOM 692 CB ILE A 58 0.895 -2.889 -3.099 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.877 -2.158 -2.175 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.252 -4.068 -2.382 1.00 10.00 C ATOM 695 CD1 ILE A 58 1.259 -1.670 -0.881 1.00 10.00 C ATOM 0 H ILE A 58 3.525 -3.461 -3.521 1.00 10.00 H new ATOM 0 HA ILE A 58 0.983 -4.111 -4.871 1.00 10.00 H new ATOM 0 HB ILE A 58 0.109 -2.188 -3.380 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.705 -2.827 -1.941 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.297 -1.306 -2.709 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.250 -3.716 -1.481 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.475 -4.542 -3.041 1.00 10.00 H new ATOM 0 HG23 ILE A 58 1.021 -4.791 -2.110 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.018 -1.164 -0.284 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.450 -0.975 -1.104 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.865 -2.519 -0.323 1.00 10.00 H new ATOM 707 N ARG A 59 0.732 -1.718 -5.927 1.00 10.00 N ATOM 708 CA ARG A 59 0.781 -0.594 -6.859 1.00 10.00 C ATOM 709 C ARG A 59 -0.393 0.348 -6.620 1.00 10.00 C ATOM 710 O ARG A 59 -1.536 -0.090 -6.526 1.00 10.00 O ATOM 711 CB ARG A 59 0.747 -1.089 -8.313 1.00 10.00 C ATOM 712 CG ARG A 59 1.955 -1.918 -8.721 1.00 10.00 C ATOM 713 CD ARG A 59 3.250 -1.118 -8.634 1.00 10.00 C ATOM 714 NE ARG A 59 4.390 -1.881 -9.140 1.00 10.00 N ATOM 715 CZ ARG A 59 5.080 -2.764 -8.419 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.778 -2.975 -7.145 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.085 -3.430 -8.973 1.00 10.00 N ATOM 0 H ARG A 59 -0.202 -2.103 -5.787 1.00 10.00 H new ATOM 0 HA ARG A 59 1.715 -0.059 -6.688 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.154 -1.684 -8.461 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.672 -0.227 -8.976 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.027 -2.796 -8.078 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.820 -2.280 -9.740 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.147 -0.195 -9.205 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.433 -0.833 -7.598 1.00 10.00 H new ATOM 0 HE ARG A 59 4.675 -1.727 -10.107 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.013 -2.460 -6.710 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.311 -3.653 -6.600 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.329 -3.266 -9.950 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.614 -4.106 -8.422 1.00 10.00 H new ATOM 731 N PHE A 60 -0.109 1.637 -6.524 1.00 10.00 N ATOM 732 CA PHE A 60 -1.150 2.634 -6.300 1.00 10.00 C ATOM 733 C PHE A 60 -1.497 3.345 -7.603 1.00 10.00 C ATOM 734 O PHE A 60 -0.608 3.711 -8.375 1.00 10.00 O ATOM 735 CB PHE A 60 -0.697 3.653 -5.251 1.00 10.00 C ATOM 736 CG PHE A 60 -0.696 3.124 -3.841 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.194 2.133 -3.453 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.586 3.625 -2.901 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.195 1.654 -2.159 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.587 3.146 -1.605 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.697 2.160 -1.234 1.00 10.00 C ATOM 0 H PHE A 60 0.833 2.020 -6.597 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.040 2.123 -5.932 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.308 3.993 -5.501 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.350 4.524 -5.300 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.894 1.732 -4.172 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.285 4.397 -3.186 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.894 0.883 -1.869 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.285 3.544 -0.883 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.698 1.784 -0.222 1.00 10.00 H new ATOM 751 N ARG A 61 -2.787 3.536 -7.854 1.00 10.00 N ATOM 752 CA ARG A 61 -3.232 4.198 -9.075 1.00 10.00 C ATOM 753 C ARG A 61 -4.204 5.332 -8.784 1.00 10.00 C ATOM 754 O ARG A 61 -5.010 5.261 -7.851 1.00 10.00 O ATOM 755 CB ARG A 61 -3.892 3.198 -10.026 1.00 10.00 C ATOM 756 CG ARG A 61 -2.910 2.280 -10.732 1.00 10.00 C ATOM 757 CD ARG A 61 -3.568 1.569 -11.903 1.00 10.00 C ATOM 758 NE ARG A 61 -2.778 0.425 -12.357 1.00 10.00 N ATOM 759 CZ ARG A 61 -3.301 -0.710 -12.820 1.00 10.00 C ATOM 760 NH1 ARG A 61 -4.614 -0.835 -12.968 1.00 10.00 N ATOM 761 NH2 ARG A 61 -2.505 -1.714 -13.160 1.00 10.00 N ATOM 0 H ARG A 61 -3.540 3.243 -7.232 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.344 4.619 -9.547 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.602 2.591 -9.464 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.464 3.746 -10.774 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.057 2.859 -11.087 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.524 1.544 -10.027 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.562 1.231 -11.611 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.699 2.270 -12.727 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.762 0.501 -12.317 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -5.231 -0.059 -12.727 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -5.006 -1.707 -13.323 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.494 -1.617 -13.067 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.904 -2.583 -13.515 1.00 10.00 H new ATOM 775 N PHE A 62 -4.107 6.376 -9.593 1.00 10.00 N ATOM 776 CA PHE A 62 -4.966 7.541 -9.485 1.00 10.00 C ATOM 777 C PHE A 62 -5.475 7.919 -10.874 1.00 10.00 C ATOM 778 O PHE A 62 -4.688 8.288 -11.747 1.00 10.00 O ATOM 779 CB PHE A 62 -4.212 8.721 -8.858 1.00 10.00 C ATOM 780 CG PHE A 62 -4.942 10.034 -8.972 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.083 10.276 -8.219 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.490 11.021 -9.836 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.757 11.478 -8.325 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.161 12.225 -9.944 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.294 12.453 -9.189 1.00 10.00 C ATOM 0 H PHE A 62 -3.424 6.437 -10.348 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.809 7.300 -8.838 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.030 8.506 -7.805 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.237 8.814 -9.337 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.448 9.517 -7.543 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.605 10.847 -10.430 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.643 11.655 -7.734 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.799 12.987 -10.619 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.819 13.393 -9.273 1.00 10.00 H new ATOM 795 N ASP A 63 -6.782 7.789 -11.070 1.00 10.00 N ATOM 796 CA ASP A 63 -7.426 8.111 -12.345 1.00 10.00 C ATOM 797 C ASP A 63 -6.829 7.284 -13.484 1.00 10.00 C ATOM 798 O ASP A 63 -6.668 7.762 -14.608 1.00 10.00 O ATOM 799 CB ASP A 63 -7.308 9.610 -12.650 1.00 10.00 C ATOM 800 CG ASP A 63 -8.337 10.075 -13.664 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.288 9.315 -13.944 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.205 11.207 -14.176 1.00 10.00 O ATOM 0 H ASP A 63 -7.427 7.458 -10.353 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.483 7.859 -12.260 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.429 10.177 -11.727 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.308 9.824 -13.027 1.00 10.00 H new ATOM 807 N GLY A 64 -6.499 6.035 -13.179 1.00 10.00 N ATOM 808 CA GLY A 64 -5.926 5.152 -14.177 1.00 10.00 C ATOM 809 C GLY A 64 -4.430 5.340 -14.352 1.00 10.00 C ATOM 810 O GLY A 64 -3.777 4.552 -15.033 1.00 10.00 O ATOM 0 H GLY A 64 -6.618 5.617 -12.256 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.125 4.118 -13.896 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.422 5.324 -15.132 1.00 10.00 H new ATOM 814 N GLN A 65 -3.886 6.380 -13.741 1.00 10.00 N ATOM 815 CA GLN A 65 -2.463 6.664 -13.835 1.00 10.00 C ATOM 816 C GLN A 65 -1.737 6.177 -12.588 1.00 10.00 C ATOM 817 O GLN A 65 -2.188 6.422 -11.470 1.00 10.00 O ATOM 818 CB GLN A 65 -2.226 8.168 -14.008 1.00 10.00 C ATOM 819 CG GLN A 65 -2.753 8.730 -15.318 1.00 10.00 C ATOM 820 CD GLN A 65 -1.988 8.227 -16.530 1.00 10.00 C ATOM 821 OE1 GLN A 65 -0.705 7.955 -16.362 1.00 10.00 O flip ATOM 822 NE2 GLN A 65 -2.548 8.099 -17.615 1.00 10.00 N flip ATOM 0 H GLN A 65 -4.411 7.044 -13.172 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.071 6.137 -14.705 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.699 8.697 -13.181 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.156 8.367 -13.943 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.805 8.465 -15.424 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.700 9.818 -15.288 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -3.540 8.319 -17.706 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -2.021 7.773 -18.425 1.00 10.00 H new ATOM 831 N PRO A 66 -0.621 5.461 -12.757 1.00 10.00 N ATOM 832 CA PRO A 66 0.163 4.965 -11.626 1.00 10.00 C ATOM 833 C PRO A 66 0.845 6.106 -10.877 1.00 10.00 C ATOM 834 O PRO A 66 1.564 6.911 -11.472 1.00 10.00 O ATOM 835 CB PRO A 66 1.198 4.043 -12.278 1.00 10.00 C ATOM 836 CG PRO A 66 1.311 4.521 -13.684 1.00 10.00 C ATOM 837 CD PRO A 66 -0.036 5.075 -14.055 1.00 10.00 C ATOM 0 HA PRO A 66 -0.452 4.456 -10.884 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.157 4.101 -11.764 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.878 3.002 -12.240 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.083 5.285 -13.773 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.592 3.705 -14.350 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.053 5.930 -14.725 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.648 4.332 -14.566 1.00 10.00 H new ATOM 845 N ILE A 67 0.609 6.172 -9.574 1.00 10.00 N ATOM 846 CA ILE A 67 1.182 7.224 -8.743 1.00 10.00 C ATOM 847 C ILE A 67 2.701 7.080 -8.647 1.00 10.00 C ATOM 848 O ILE A 67 3.230 5.965 -8.624 1.00 10.00 O ATOM 849 CB ILE A 67 0.561 7.213 -7.325 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.963 7.351 -7.421 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.143 8.331 -6.467 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.656 7.421 -6.076 1.00 10.00 C ATOM 0 H ILE A 67 0.023 5.508 -9.068 1.00 10.00 H new ATOM 0 HA ILE A 67 0.951 8.178 -9.217 1.00 10.00 H new ATOM 0 HB ILE A 67 0.803 6.263 -6.849 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.202 8.250 -7.990 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.361 6.504 -7.981 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.691 8.302 -5.476 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.221 8.198 -6.378 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.934 9.294 -6.933 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.731 7.518 -6.225 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.449 6.512 -5.512 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.287 8.284 -5.521 1.00 10.00 H new ATOM 864 N ASN A 68 3.397 8.211 -8.628 1.00 10.00 N ATOM 865 CA ASN A 68 4.849 8.220 -8.532 1.00 10.00 C ATOM 866 C ASN A 68 5.277 8.491 -7.099 1.00 10.00 C ATOM 867 O ASN A 68 4.450 8.819 -6.247 1.00 10.00 O ATOM 868 CB ASN A 68 5.449 9.288 -9.450 1.00 10.00 C ATOM 869 CG ASN A 68 5.074 9.090 -10.902 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.650 8.250 -11.595 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.116 9.868 -11.375 1.00 10.00 N ATOM 0 H ASN A 68 2.974 9.138 -8.678 1.00 10.00 H new ATOM 0 HA ASN A 68 5.214 7.241 -8.844 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.113 10.272 -9.123 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.535 9.274 -9.355 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.827 9.786 -12.350 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.666 10.551 -10.765 1.00 10.00 H new ATOM 878 N GLU A 69 6.568 8.362 -6.836 1.00 10.00 N ATOM 879 CA GLU A 69 7.095 8.604 -5.503 1.00 10.00 C ATOM 880 C GLU A 69 7.103 10.097 -5.201 1.00 10.00 C ATOM 881 O GLU A 69 6.618 10.532 -4.160 1.00 10.00 O ATOM 882 CB GLU A 69 8.507 8.037 -5.368 1.00 10.00 C ATOM 883 CG GLU A 69 8.585 6.530 -5.556 1.00 10.00 C ATOM 884 CD GLU A 69 9.955 5.977 -5.225 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.102 5.338 -4.157 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.895 6.192 -6.023 1.00 10.00 O ATOM 0 H GLU A 69 7.268 8.092 -7.526 1.00 10.00 H new ATOM 0 HA GLU A 69 6.449 8.100 -4.785 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.153 8.519 -6.101 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.898 8.291 -4.383 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.839 6.049 -4.923 1.00 10.00 H new ATOM 0 HG3 GLU A 69 8.336 6.282 -6.588 1.00 10.00 H new ATOM 893 N THR A 70 7.637 10.880 -6.126 1.00 10.00 N ATOM 894 CA THR A 70 7.715 12.326 -5.955 1.00 10.00 C ATOM 895 C THR A 70 6.431 13.025 -6.417 1.00 10.00 C ATOM 896 O THR A 70 6.481 14.024 -7.133 1.00 10.00 O ATOM 897 CB THR A 70 8.916 12.902 -6.728 1.00 10.00 C ATOM 898 OG1 THR A 70 9.852 11.857 -7.018 1.00 10.00 O ATOM 899 CG2 THR A 70 9.606 13.993 -5.924 1.00 10.00 C ATOM 0 H THR A 70 8.024 10.539 -7.006 1.00 10.00 H new ATOM 0 HA THR A 70 7.844 12.513 -4.889 1.00 10.00 H new ATOM 0 HB THR A 70 8.549 13.336 -7.658 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.613 12.227 -7.511 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.451 14.384 -6.491 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.900 14.799 -5.723 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.963 13.579 -4.981 1.00 10.00 H new ATOM 907 N ASP A 71 5.290 12.497 -6.000 1.00 10.00 N ATOM 908 CA ASP A 71 4.005 13.080 -6.360 1.00 10.00 C ATOM 909 C ASP A 71 3.228 13.446 -5.104 1.00 10.00 C ATOM 910 O ASP A 71 3.357 12.785 -4.069 1.00 10.00 O ATOM 911 CB ASP A 71 3.185 12.112 -7.219 1.00 10.00 C ATOM 912 CG ASP A 71 3.043 12.582 -8.658 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.684 13.760 -8.878 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.289 11.770 -9.575 1.00 10.00 O ATOM 0 H ASP A 71 5.227 11.666 -5.412 1.00 10.00 H new ATOM 0 HA ASP A 71 4.191 13.982 -6.943 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.659 11.131 -7.207 1.00 10.00 H new ATOM 0 HB3 ASP A 71 2.194 11.993 -6.780 1.00 10.00 H new ATOM 919 N THR A 72 2.441 14.505 -5.186 1.00 10.00 N ATOM 920 CA THR A 72 1.647 14.963 -4.057 1.00 10.00 C ATOM 921 C THR A 72 0.197 15.156 -4.491 1.00 10.00 C ATOM 922 O THR A 72 -0.080 15.230 -5.690 1.00 10.00 O ATOM 923 CB THR A 72 2.184 16.299 -3.495 1.00 10.00 C ATOM 924 OG1 THR A 72 2.176 17.304 -4.516 1.00 10.00 O ATOM 925 CG2 THR A 72 3.593 16.140 -2.945 1.00 10.00 C ATOM 0 H THR A 72 2.334 15.068 -6.030 1.00 10.00 H new ATOM 0 HA THR A 72 1.711 14.206 -3.276 1.00 10.00 H new ATOM 0 HB THR A 72 1.529 16.604 -2.679 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.516 18.146 -4.149 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.942 17.097 -2.557 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.589 15.403 -2.142 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.259 15.806 -3.741 1.00 10.00 H new ATOM 933 N PRO A 73 -0.753 15.236 -3.539 1.00 10.00 N ATOM 934 CA PRO A 73 -2.166 15.448 -3.867 1.00 10.00 C ATOM 935 C PRO A 73 -2.360 16.723 -4.681 1.00 10.00 C ATOM 936 O PRO A 73 -3.209 16.792 -5.567 1.00 10.00 O ATOM 937 CB PRO A 73 -2.844 15.576 -2.500 1.00 10.00 C ATOM 938 CG PRO A 73 -1.923 14.901 -1.545 1.00 10.00 C ATOM 939 CD PRO A 73 -0.536 15.109 -2.086 1.00 10.00 C ATOM 0 HA PRO A 73 -2.576 14.641 -4.474 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.994 16.622 -2.231 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.826 15.103 -2.501 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -2.019 15.325 -0.545 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.155 13.839 -1.465 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.072 16.003 -1.669 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.118 14.270 -1.849 1.00 10.00 H new ATOM 947 N ALA A 74 -1.547 17.730 -4.380 1.00 10.00 N ATOM 948 CA ALA A 74 -1.613 19.001 -5.081 1.00 10.00 C ATOM 949 C ALA A 74 -0.988 18.894 -6.467 1.00 10.00 C ATOM 950 O ALA A 74 -1.460 19.515 -7.417 1.00 10.00 O ATOM 951 CB ALA A 74 -0.920 20.085 -4.272 1.00 10.00 C ATOM 0 H ALA A 74 -0.833 17.687 -3.652 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.663 19.268 -5.202 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.977 21.032 -4.809 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.411 20.186 -3.304 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.125 19.815 -4.122 1.00 10.00 H new ATOM 957 N GLN A 75 0.072 18.097 -6.582 1.00 10.00 N ATOM 958 CA GLN A 75 0.759 17.918 -7.859 1.00 10.00 C ATOM 959 C GLN A 75 -0.091 17.107 -8.834 1.00 10.00 C ATOM 960 O GLN A 75 0.019 17.269 -10.048 1.00 10.00 O ATOM 961 CB GLN A 75 2.114 17.235 -7.654 1.00 10.00 C ATOM 962 CG GLN A 75 3.104 17.505 -8.780 1.00 10.00 C ATOM 963 CD GLN A 75 3.435 18.976 -8.918 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.501 19.706 -7.929 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.637 19.426 -10.145 1.00 10.00 N ATOM 0 H GLN A 75 0.473 17.566 -5.809 1.00 10.00 H new ATOM 0 HA GLN A 75 0.923 18.907 -8.286 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.545 17.575 -6.712 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.961 16.160 -7.565 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.021 16.945 -8.596 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.690 17.139 -9.720 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.573 18.789 -10.939 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.857 20.410 -10.298 1.00 10.00 H new ATOM 974 N LEU A 76 -0.927 16.224 -8.304 1.00 10.00 N ATOM 975 CA LEU A 76 -1.793 15.406 -9.144 1.00 10.00 C ATOM 976 C LEU A 76 -3.150 16.075 -9.352 1.00 10.00 C ATOM 977 O LEU A 76 -4.031 15.505 -9.996 1.00 10.00 O ATOM 978 CB LEU A 76 -1.984 14.015 -8.533 1.00 10.00 C ATOM 979 CG LEU A 76 -0.850 13.020 -8.797 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.094 11.725 -8.043 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.720 12.740 -10.288 1.00 10.00 C ATOM 0 H LEU A 76 -1.024 16.056 -7.303 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.308 15.301 -10.115 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.105 14.124 -7.455 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.912 13.592 -8.917 1.00 10.00 H new ATOM 0 HG LEU A 76 0.081 13.462 -8.443 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.279 11.029 -8.242 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.143 11.930 -6.974 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.035 11.284 -8.372 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.091 12.031 -10.456 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.653 12.319 -10.662 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.504 13.669 -10.815 1.00 10.00 H new ATOM 993 N GLU A 77 -3.298 17.294 -8.819 1.00 10.00 N ATOM 994 CA GLU A 77 -4.543 18.061 -8.938 1.00 10.00 C ATOM 995 C GLU A 77 -5.715 17.305 -8.309 1.00 10.00 C ATOM 996 O GLU A 77 -6.810 17.252 -8.867 1.00 10.00 O ATOM 997 CB GLU A 77 -4.845 18.375 -10.409 1.00 10.00 C ATOM 998 CG GLU A 77 -3.809 19.269 -11.074 1.00 10.00 C ATOM 999 CD GLU A 77 -4.155 20.741 -10.969 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.563 21.440 -10.119 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -5.024 21.208 -11.736 1.00 10.00 O ATOM 0 H GLU A 77 -2.564 17.773 -8.297 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.411 18.999 -8.399 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.913 17.439 -10.964 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.821 18.856 -10.475 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.836 19.095 -10.615 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.719 18.995 -12.125 1.00 10.00 H new ATOM 1008 N MET A 78 -5.473 16.725 -7.143 1.00 10.00 N ATOM 1009 CA MET A 78 -6.497 15.966 -6.435 1.00 10.00 C ATOM 1010 C MET A 78 -7.316 16.878 -5.532 1.00 10.00 C ATOM 1011 O MET A 78 -6.764 17.740 -4.841 1.00 10.00 O ATOM 1012 CB MET A 78 -5.857 14.859 -5.592 1.00 10.00 C ATOM 1013 CG MET A 78 -4.937 13.943 -6.380 1.00 10.00 C ATOM 1014 SD MET A 78 -4.010 12.807 -5.333 1.00 10.00 S ATOM 1015 CE MET A 78 -5.320 11.727 -4.755 1.00 10.00 C ATOM 0 H MET A 78 -4.573 16.765 -6.664 1.00 10.00 H new ATOM 0 HA MET A 78 -7.155 15.517 -7.179 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.291 15.315 -4.779 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.646 14.261 -5.135 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.528 13.370 -7.094 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.238 14.548 -6.958 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.051 10.690 -4.954 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.460 11.866 -3.683 1.00 10.00 H new ATOM 0 HE3 MET A 78 -6.247 11.968 -5.276 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.628 16.692 -5.541 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.508 17.497 -4.711 1.00 10.00 C ATOM 1027 C GLU A 79 -9.865 16.745 -3.435 1.00 10.00 C ATOM 1028 O GLU A 79 -9.395 15.627 -3.208 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.778 17.889 -5.471 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.953 19.392 -5.629 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.678 20.154 -4.346 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.397 19.932 -3.351 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.731 20.972 -4.321 1.00 10.00 O ATOM 0 H GLU A 79 -9.104 15.993 -6.112 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.978 18.412 -4.445 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.757 17.428 -6.459 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.644 17.484 -4.948 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.283 19.751 -6.410 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.970 19.602 -5.960 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.695 17.360 -2.608 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.100 16.757 -1.346 1.00 10.00 C ATOM 1042 C ASP A 80 -11.995 15.544 -1.570 1.00 10.00 C ATOM 1043 O ASP A 80 -12.856 15.547 -2.454 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.830 17.780 -0.472 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.543 17.601 1.006 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -10.834 18.457 1.583 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -12.028 16.617 1.604 1.00 10.00 O ATOM 0 H ASP A 80 -11.103 18.278 -2.787 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.195 16.427 -0.836 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.537 18.785 -0.775 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.903 17.696 -0.642 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.764 14.513 -0.766 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.522 13.269 -0.812 1.00 10.00 C ATOM 1054 C GLU A 81 -12.329 12.511 -2.121 1.00 10.00 C ATOM 1055 O GLU A 81 -13.294 12.027 -2.716 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.004 13.528 -0.550 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.321 13.794 0.910 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.806 13.900 1.166 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.209 14.780 1.954 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.572 13.106 0.575 1.00 10.00 O ATOM 0 H GLU A 81 -11.034 14.518 -0.053 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.130 12.632 -0.019 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.327 14.382 -1.145 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.581 12.667 -0.888 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -13.906 12.993 1.521 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -13.834 14.718 1.222 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.080 12.399 -2.563 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.774 11.661 -3.782 1.00 10.00 C ATOM 1069 C ASP A 82 -10.548 10.194 -3.427 1.00 10.00 C ATOM 1070 O ASP A 82 -10.362 9.864 -2.254 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.549 12.239 -4.495 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.646 12.088 -6.003 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.805 10.949 -6.485 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.579 13.112 -6.716 1.00 10.00 O ATOM 0 H ASP A 82 -10.269 12.807 -2.098 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.615 11.749 -4.469 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.446 13.294 -4.242 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.650 11.737 -4.137 1.00 10.00 H new ATOM 1079 N THR A 83 -10.552 9.320 -4.421 1.00 10.00 N ATOM 1080 CA THR A 83 -10.386 7.895 -4.171 1.00 10.00 C ATOM 1081 C THR A 83 -9.142 7.330 -4.861 1.00 10.00 C ATOM 1082 O THR A 83 -8.932 7.523 -6.057 1.00 10.00 O ATOM 1083 CB THR A 83 -11.630 7.102 -4.629 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.809 7.657 -4.029 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.510 5.631 -4.248 1.00 10.00 C ATOM 0 H THR A 83 -10.668 9.569 -5.403 1.00 10.00 H new ATOM 0 HA THR A 83 -10.261 7.782 -3.094 1.00 10.00 H new ATOM 0 HB THR A 83 -11.700 7.175 -5.714 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.595 7.152 -4.324 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.399 5.095 -4.582 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.628 5.203 -4.724 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.418 5.542 -3.166 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.321 6.633 -4.086 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.103 6.017 -4.593 1.00 10.00 C ATOM 1095 C ILE A 84 -7.263 4.500 -4.617 1.00 10.00 C ATOM 1096 O ILE A 84 -7.790 3.913 -3.668 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.886 6.392 -3.720 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.816 7.907 -3.536 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.594 5.871 -4.337 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -5.025 8.334 -2.321 1.00 10.00 C ATOM 0 H ILE A 84 -8.481 6.479 -3.090 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.931 6.387 -5.604 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.007 5.924 -2.743 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.369 8.352 -4.425 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.829 8.302 -3.457 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.751 6.148 -3.704 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.643 4.785 -4.422 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.462 6.307 -5.327 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -5.019 9.422 -2.255 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.484 7.919 -1.424 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -4.001 7.970 -2.407 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.816 3.867 -5.694 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.929 2.416 -5.833 1.00 10.00 C ATOM 1114 C ASP A 85 -5.579 1.744 -5.595 1.00 10.00 C ATOM 1115 O ASP A 85 -4.538 2.269 -6.000 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.451 2.057 -7.228 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.453 0.920 -7.201 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.038 -0.246 -7.073 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.672 1.192 -7.308 1.00 10.00 O ATOM 0 H ASP A 85 -6.372 4.333 -6.485 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.634 2.055 -5.084 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.916 2.936 -7.675 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.611 1.781 -7.866 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.600 0.590 -4.935 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.376 -0.150 -4.637 1.00 10.00 C ATOM 1126 C VAL A 86 -4.418 -1.549 -5.243 1.00 10.00 C ATOM 1127 O VAL A 86 -5.236 -2.381 -4.852 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.146 -0.283 -3.117 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.755 -0.827 -2.829 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.352 1.052 -2.417 1.00 10.00 C ATOM 0 H VAL A 86 -6.453 0.145 -4.595 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.556 0.419 -5.076 1.00 10.00 H new ATOM 0 HB VAL A 86 -4.879 -0.988 -2.726 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.614 -0.913 -1.752 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.646 -1.809 -3.289 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.007 -0.149 -3.240 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.184 0.931 -1.347 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.649 1.784 -2.815 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.371 1.399 -2.587 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.527 -1.806 -6.187 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.458 -3.101 -6.849 1.00 10.00 C ATOM 1142 C PHE A 87 -2.243 -3.888 -6.372 1.00 10.00 C ATOM 1143 O PHE A 87 -1.434 -3.384 -5.595 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.396 -2.918 -8.366 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.660 -2.368 -8.958 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.700 -3.213 -9.303 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.807 -1.006 -9.172 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.865 -2.714 -9.852 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.971 -0.501 -9.721 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.001 -1.356 -10.062 1.00 10.00 C ATOM 0 H PHE A 87 -2.837 -1.130 -6.515 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.357 -3.662 -6.594 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.570 -2.249 -8.609 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.176 -3.879 -8.831 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.600 -4.276 -9.141 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.005 -0.333 -8.907 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.669 -3.385 -10.117 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.075 0.562 -9.883 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.911 -0.963 -10.492 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.121 -5.120 -6.843 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.004 -5.980 -6.478 1.00 10.00 C ATOM 1162 C GLN A 88 -0.229 -6.388 -7.722 1.00 10.00 C ATOM 1163 O GLN A 88 -0.802 -6.514 -8.805 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.500 -7.229 -5.743 1.00 10.00 C ATOM 1165 CG GLN A 88 -1.811 -7.001 -4.273 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.184 -8.284 -3.557 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.750 -9.373 -3.938 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.994 -8.169 -2.519 1.00 10.00 N ATOM 0 H GLN A 88 -2.788 -5.550 -7.484 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.346 -5.422 -5.812 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.397 -7.598 -6.240 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.745 -8.011 -5.827 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -0.944 -6.555 -3.786 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -2.630 -6.287 -4.184 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.332 -7.249 -2.235 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -3.281 -9.000 -2.002 1.00 10.00 H new ATOM 1177 N GLN A 89 1.070 -6.574 -7.566 1.00 10.00 N ATOM 1178 CA GLN A 89 1.921 -6.980 -8.673 1.00 10.00 C ATOM 1179 C GLN A 89 1.941 -8.501 -8.777 1.00 10.00 C ATOM 1180 O GLN A 89 2.248 -9.195 -7.806 1.00 10.00 O ATOM 1181 CB GLN A 89 3.340 -6.443 -8.482 1.00 10.00 C ATOM 1182 CG GLN A 89 4.189 -6.490 -9.744 1.00 10.00 C ATOM 1183 CD GLN A 89 3.690 -5.548 -10.827 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.077 -4.519 -10.543 1.00 10.00 O ATOM 1185 NE2 GLN A 89 3.960 -5.889 -12.079 1.00 10.00 N ATOM 0 H GLN A 89 1.561 -6.450 -6.680 1.00 10.00 H new ATOM 0 HA GLN A 89 1.519 -6.565 -9.597 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.284 -5.413 -8.131 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.835 -7.020 -7.701 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.218 -6.234 -9.493 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.199 -7.509 -10.132 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.471 -6.750 -12.274 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.657 -5.290 -12.847 1.00 10.00 H new ATOM 1194 N GLN A 90 1.598 -9.010 -9.951 1.00 10.00 N ATOM 1195 CA GLN A 90 1.566 -10.448 -10.185 1.00 10.00 C ATOM 1196 C GLN A 90 2.973 -11.034 -10.132 1.00 10.00 C ATOM 1197 O GLN A 90 3.858 -10.617 -10.881 1.00 10.00 O ATOM 1198 CB GLN A 90 0.918 -10.765 -11.538 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.561 -10.411 -11.603 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.800 -8.926 -11.804 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -0.043 -8.250 -12.501 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.840 -8.409 -11.174 1.00 10.00 N ATOM 0 H GLN A 90 1.337 -8.447 -10.760 1.00 10.00 H new ATOM 0 HA GLN A 90 0.967 -10.902 -9.396 1.00 10.00 H new ATOM 0 HB2 GLN A 90 1.448 -10.222 -12.321 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.038 -11.828 -11.749 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -1.027 -10.963 -12.419 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -1.048 -10.732 -10.682 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.441 -9.006 -10.607 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -2.042 -7.412 -11.255 1.00 10.00 H new ATOM 1211 N THR A 91 3.165 -11.996 -9.243 1.00 10.00 N ATOM 1212 CA THR A 91 4.452 -12.654 -9.081 1.00 10.00 C ATOM 1213 C THR A 91 4.815 -13.446 -10.334 1.00 10.00 C ATOM 1214 O THR A 91 5.981 -13.520 -10.724 1.00 10.00 O ATOM 1215 CB THR A 91 4.416 -13.599 -7.872 1.00 10.00 C ATOM 1216 OG1 THR A 91 3.074 -13.668 -7.360 1.00 10.00 O ATOM 1217 CG2 THR A 91 5.359 -13.121 -6.777 1.00 10.00 C ATOM 0 H THR A 91 2.438 -12.341 -8.617 1.00 10.00 H new ATOM 0 HA THR A 91 5.207 -11.885 -8.918 1.00 10.00 H new ATOM 0 HB THR A 91 4.742 -14.588 -8.195 1.00 10.00 H new ATOM 0 HG1 THR A 91 3.049 -14.272 -6.589 1.00 10.00 H new ATOM 0 HG21 THR A 91 5.314 -13.808 -5.932 1.00 10.00 H new ATOM 0 HG22 THR A 91 6.378 -13.087 -7.163 1.00 10.00 H new ATOM 0 HG23 THR A 91 5.062 -12.125 -6.450 1.00 10.00 H new ATOM 1225 N GLY A 92 3.802 -14.027 -10.963 1.00 10.00 N ATOM 1226 CA GLY A 92 4.007 -14.804 -12.162 1.00 10.00 C ATOM 1227 C GLY A 92 2.735 -15.500 -12.587 1.00 10.00 C ATOM 1228 O GLY A 92 1.902 -15.796 -11.704 1.00 10.00 O ATOM 0 H GLY A 92 2.831 -13.970 -10.656 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.354 -14.154 -12.965 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.789 -15.543 -11.990 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -18.854 -3.410 5.443 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.653 -2.153 6.203 1.00 10.00 C ATOM 1235 C ASN B 357 -17.404 -2.236 7.068 1.00 10.00 C ATOM 1236 O ASN B 357 -17.483 -2.383 8.290 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.868 -1.856 7.090 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.765 -0.511 7.794 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -19.334 0.480 7.207 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -20.151 -0.469 9.061 1.00 10.00 N ATOM 0 HA ASN B 357 -18.531 -1.346 5.481 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.771 -1.874 6.480 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.970 -2.645 7.835 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -20.096 0.406 9.582 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.503 -1.312 9.515 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.247 -2.160 6.433 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.985 -2.202 7.151 1.00 10.00 C ATOM 1249 C ASN B 358 -14.237 -0.910 6.894 1.00 10.00 C ATOM 1250 O ASN B 358 -14.003 -0.540 5.744 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.143 -3.396 6.697 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.796 -3.463 7.400 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.669 -3.082 8.565 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.780 -3.942 6.694 1.00 10.00 N ATOM 0 H ASN B 358 -16.155 -2.069 5.421 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.180 -2.315 8.218 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.694 -4.317 6.887 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.984 -3.335 5.620 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.852 -4.005 7.113 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.927 -4.247 5.732 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.857 -0.235 7.958 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.160 1.028 7.836 1.00 10.00 C ATOM 1263 C ARG B 359 -11.808 0.971 8.523 1.00 10.00 C ATOM 1264 O ARG B 359 -11.685 0.487 9.651 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.008 2.175 8.388 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.312 2.064 9.868 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.052 3.288 10.371 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.379 3.176 11.786 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.559 3.497 12.306 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.510 4.027 11.544 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.777 3.310 13.598 1.00 10.00 N ATOM 0 H ARG B 359 -14.019 -0.540 8.918 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.989 1.217 6.776 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.490 3.116 8.204 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -14.948 2.215 7.837 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -14.911 1.173 10.053 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.382 1.944 10.425 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.441 4.175 10.208 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -15.968 3.422 9.795 1.00 10.00 H new ATOM 0 HE ARG B 359 -14.657 2.829 12.417 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.337 4.190 10.552 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.413 4.271 11.951 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.041 2.922 14.188 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.681 3.554 14.003 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.804 1.447 7.827 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.455 1.468 8.352 1.00 10.00 C ATOM 1287 C ASP B 360 -9.006 2.917 8.438 1.00 10.00 C ATOM 1288 O ASP B 360 -9.213 3.680 7.498 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.517 0.645 7.459 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.411 -0.030 8.251 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.566 0.672 8.838 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.389 -1.281 8.297 1.00 10.00 O ATOM 0 H ASP B 360 -10.895 1.829 6.886 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.427 1.018 9.344 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.095 -0.112 6.929 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.075 1.295 6.704 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.417 3.347 9.558 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.011 4.721 9.721 1.00 10.00 C ATOM 1299 C PRO B 361 -6.502 4.919 9.689 1.00 10.00 C ATOM 1300 O PRO B 361 -5.737 4.266 10.402 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.531 5.004 11.131 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.452 3.680 11.853 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.215 2.604 10.803 1.00 10.00 C ATOM 0 HA PRO B 361 -8.384 5.365 8.925 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.926 5.761 11.629 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.554 5.379 11.106 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.643 3.689 12.583 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.374 3.486 12.401 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.212 2.183 10.869 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.916 1.775 10.902 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.089 5.853 8.855 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.694 6.170 8.697 1.00 10.00 C ATOM 1313 C ILE B 362 -4.437 7.608 9.086 1.00 10.00 C ATOM 1314 O ILE B 362 -5.158 8.521 8.676 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.207 5.967 7.256 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.491 4.544 6.783 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.718 6.279 7.155 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.608 3.496 7.413 1.00 10.00 C ATOM 0 H ILE B 362 -6.714 6.409 8.272 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.146 5.489 9.348 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.752 6.653 6.608 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -5.532 4.303 6.997 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.370 4.502 5.701 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.384 6.131 6.128 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.542 7.314 7.448 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.161 5.615 7.816 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -3.875 2.514 7.023 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -2.565 3.709 7.177 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.745 3.507 8.494 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.410 7.795 9.867 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.020 9.104 10.315 1.00 10.00 C ATOM 1332 C VAL B 363 -1.652 9.375 9.744 1.00 10.00 C ATOM 1333 O VAL B 363 -0.753 8.533 9.795 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.011 9.227 11.858 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.586 10.625 12.290 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.386 8.898 12.426 1.00 10.00 C ATOM 0 H VAL B 363 -2.817 7.041 10.213 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.746 9.840 9.969 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.288 8.512 12.249 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.588 10.686 13.378 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.583 10.832 11.917 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.283 11.359 11.885 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.362 8.989 13.512 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.123 9.591 12.020 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.658 7.878 12.153 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.508 10.544 9.192 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.286 10.938 8.543 1.00 10.00 C ATOM 1348 C ILE B 364 0.360 12.032 9.345 1.00 10.00 C ATOM 1349 O ILE B 364 -0.319 12.867 9.944 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.513 11.394 7.072 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.433 10.647 6.129 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.323 12.898 6.903 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.061 9.198 5.920 1.00 10.00 C ATOM 0 H ILE B 364 -2.237 11.257 9.178 1.00 10.00 H new ATOM 0 HA ILE B 364 0.371 10.070 8.497 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.546 11.156 6.819 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.444 11.153 5.164 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.446 10.699 6.528 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.491 13.171 5.861 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.034 13.428 7.536 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.692 13.171 7.190 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.776 8.733 5.241 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.078 8.676 6.877 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.939 9.137 5.491 1.00 10.00 H new HETATM 1365 N SEP B 365 1.660 11.981 9.429 1.00 10.00 N HETATM 1366 CA SEP B 365 2.386 12.955 10.173 1.00 10.00 C HETATM 1367 CB SEP B 365 3.427 12.251 11.049 1.00 10.00 C HETATM 1368 OG SEP B 365 3.155 10.851 11.114 1.00 10.00 O HETATM 1369 C SEP B 365 3.043 13.864 9.170 1.00 10.00 C HETATM 1370 O SEP B 365 3.701 13.422 8.232 1.00 10.00 O HETATM 1371 P SEP B 365 3.953 9.819 10.179 1.00 10.00 P HETATM 1372 O1P SEP B 365 3.746 8.413 10.550 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.367 10.173 9.949 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.263 9.938 8.744 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.425 12.416 10.643 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.416 12.677 12.052 1.00 10.00 H new HETATM 0 HA SEP B 365 1.737 13.531 10.833 1.00 10.00 H new HETATM 0 H SEP B 365 1.878 10.990 9.536 1.00 10.00 H new ATOM 1379 N ASP B 366 2.814 15.144 9.354 1.00 10.00 N ATOM 1380 CA ASP B 366 3.324 16.141 8.447 1.00 10.00 C ATOM 1381 C ASP B 366 4.280 17.034 9.193 1.00 10.00 C ATOM 1382 O ASP B 366 3.947 17.572 10.252 1.00 10.00 O ATOM 1383 CB ASP B 366 2.156 16.965 7.875 1.00 10.00 C ATOM 1384 CG ASP B 366 2.552 17.863 6.723 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.510 19.102 6.888 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.869 17.339 5.639 1.00 10.00 O ATOM 0 H ASP B 366 2.272 15.520 10.132 1.00 10.00 H new ATOM 0 HA ASP B 366 3.848 15.662 7.620 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.372 16.285 7.541 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.730 17.576 8.671 1.00 10.00 H new HETATM 1391 N SEP B 367 5.469 17.154 8.655 1.00 10.00 N HETATM 1392 CA SEP B 367 6.501 17.972 9.244 1.00 10.00 C HETATM 1393 CB SEP B 367 7.842 17.615 8.597 1.00 10.00 C HETATM 1394 OG SEP B 367 8.201 16.259 8.875 1.00 10.00 O HETATM 1395 C SEP B 367 6.160 19.449 9.065 1.00 10.00 C HETATM 1396 O SEP B 367 6.190 19.971 7.948 1.00 10.00 O HETATM 1397 P SEP B 367 7.858 15.079 7.841 1.00 10.00 P HETATM 1398 O1P SEP B 367 6.563 15.223 7.163 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.967 14.722 6.935 1.00 10.00 O HETATM 1400 O3P SEP B 367 7.668 13.777 8.752 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.781 17.765 7.519 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.618 18.284 8.968 1.00 10.00 H new HETATM 0 HA SEP B 367 6.572 17.783 10.315 1.00 10.00 H new HETATM 0 H SEP B 367 5.707 16.477 7.930 1.00 10.00 H new ATOM 1405 N PRO B 368 5.830 20.145 10.168 1.00 10.00 N ATOM 1406 CA PRO B 368 5.457 21.557 10.115 1.00 10.00 C ATOM 1407 C PRO B 368 6.602 22.444 9.651 1.00 10.00 C ATOM 1408 O PRO B 368 6.356 23.352 8.838 1.00 10.00 O ATOM 1409 CB PRO B 368 5.062 21.892 11.554 1.00 10.00 C ATOM 1410 CG PRO B 368 5.715 20.852 12.397 1.00 10.00 C ATOM 1411 CD PRO B 368 5.815 19.617 11.548 1.00 10.00 C ATOM 0 HA PRO B 368 4.656 21.732 9.397 1.00 10.00 H new ATOM 0 HB2 PRO B 368 5.399 22.891 11.831 1.00 10.00 H new ATOM 0 HB3 PRO B 368 3.979 21.875 11.678 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.702 21.180 12.723 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.131 20.658 13.296 1.00 10.00 H new ATOM 0 HD2 PRO B 368 6.719 19.050 11.770 1.00 10.00 H new ATOM 0 HD3 PRO B 368 4.970 18.948 11.712 1.00 10.00 H new TER 1419 PRO B 368