USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 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 99 ASN : amide:sc= -6.99! C(o=-7!,f=-7.9!) USER MOD Set 1.2: A 102 MET CE :methyl -145:sc= 0 (180deg=-1.28) USER MOD Set 2.1: A 51 THR OG1 : rot -67:sc= 0.804 USER MOD Set 2.2: A 55 SER OG : rot -85:sc= -0.209 USER MOD Set 2.3: A 59 MET CE :methyl 158:sc= -7.48! (180deg=-6.8!) USER MOD Set 2.4: B 478 MET CE :methyl 152:sc= -6.05! (180deg=-7.9!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -2.5! USER MOD Set 3.2: A 39 THR OG1 : rot -174:sc= -4.8! USER MOD Set 4.1: A 13 SER OG : rot 42:sc= 0.00543 USER MOD Set 4.2: A 32 THR OG1 : rot 75:sc= -0.224 USER MOD Single : A 2 SER OG : rot -42:sc= 0.00747 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.448 (180deg=-1.61!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -170:sc= -1.66 USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= -0.116 (180deg=-0.653) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 174:sc= -0.439 (180deg=-0.517) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 88 MET CE :methyl -121:sc= -4.87! (180deg=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.38) USER MOD Single : A 93 ASN : amide:sc= -1.76 K(o=-1.8,f=-4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 156:sc= -0.119 (180deg=-0.522) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.768 K(o=-0.77,f=-1.8) USER MOD Single : A 109 SER OG : rot 94:sc= 0.825 USER MOD Single : A 111 TYR OH : rot 35:sc= -1.93 USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0.817 (180deg=0.534) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : B 480 THR OG1 : rot 92:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.651 14.969 10.699 1.00 0.00 N ATOM 2 CA PRO A 1 -9.432 13.572 10.233 1.00 0.00 C ATOM 3 C PRO A 1 -7.974 13.324 9.849 1.00 0.00 C ATOM 4 O PRO A 1 -7.592 13.480 8.689 1.00 0.00 O ATOM 5 CB PRO A 1 -10.347 13.338 9.034 1.00 0.00 C ATOM 6 CG PRO A 1 -10.931 14.680 8.748 1.00 0.00 C ATOM 7 CD PRO A 1 -10.877 15.453 10.044 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.855 15.559 10.457 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.748 15.000 11.714 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.664 12.877 11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.791 12.956 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.123 12.607 9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.367 15.191 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.957 14.589 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.836 16.528 9.866 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.758 15.265 10.658 1.00 0.00 H new ATOM 17 N SER A 2 -7.166 12.938 10.831 1.00 0.00 N ATOM 18 CA SER A 2 -5.751 12.669 10.596 1.00 0.00 C ATOM 19 C SER A 2 -5.490 11.173 10.412 1.00 0.00 C ATOM 20 O SER A 2 -4.357 10.761 10.166 1.00 0.00 O ATOM 21 CB SER A 2 -4.912 13.202 11.758 1.00 0.00 C ATOM 22 OG SER A 2 -3.584 13.476 11.346 1.00 0.00 O ATOM 0 H SER A 2 -7.466 12.804 11.797 1.00 0.00 H new ATOM 0 HA SER A 2 -5.464 13.180 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.368 14.110 12.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.901 12.472 12.568 1.00 0.00 H new ATOM 0 HG SER A 2 -3.270 12.759 10.757 1.00 0.00 H new ATOM 28 N HIS A 3 -6.540 10.364 10.533 1.00 0.00 N ATOM 29 CA HIS A 3 -6.413 8.918 10.380 1.00 0.00 C ATOM 30 C HIS A 3 -7.492 8.361 9.464 1.00 0.00 C ATOM 31 O HIS A 3 -7.800 7.171 9.489 1.00 0.00 O ATOM 32 CB HIS A 3 -6.452 8.224 11.740 1.00 0.00 C ATOM 33 CG HIS A 3 -7.775 8.329 12.432 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.194 9.469 13.087 1.00 0.00 N ATOM 35 CD2 HIS A 3 -8.778 7.429 12.570 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.396 9.264 13.598 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.772 8.035 13.297 1.00 0.00 N ATOM 0 H HIS A 3 -7.487 10.685 10.736 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.446 8.718 9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.204 7.171 11.608 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.682 8.655 12.380 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.793 6.422 12.180 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.972 9.980 14.165 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.658 7.605 13.562 1.00 0.00 H new ATOM 46 N SER A 4 -8.054 9.234 8.655 1.00 0.00 N ATOM 47 CA SER A 4 -9.095 8.853 7.711 1.00 0.00 C ATOM 48 C SER A 4 -8.950 9.649 6.424 1.00 0.00 C ATOM 49 O SER A 4 -8.506 10.798 6.443 1.00 0.00 O ATOM 50 CB SER A 4 -10.481 9.080 8.316 1.00 0.00 C ATOM 51 OG SER A 4 -10.488 10.209 9.172 1.00 0.00 O ATOM 0 H SER A 4 -7.807 10.223 8.629 1.00 0.00 H new ATOM 0 HA SER A 4 -8.986 7.792 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.210 9.221 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.786 8.195 8.874 1.00 0.00 H new ATOM 0 HG SER A 4 -11.386 10.332 9.544 1.00 0.00 H new ATOM 57 N GLY A 5 -9.314 9.037 5.305 1.00 0.00 N ATOM 58 CA GLY A 5 -9.199 9.716 4.034 1.00 0.00 C ATOM 59 C GLY A 5 -9.868 8.956 2.915 1.00 0.00 C ATOM 60 O GLY A 5 -10.331 7.836 3.109 1.00 0.00 O ATOM 0 H GLY A 5 -9.685 8.088 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.644 10.708 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.145 9.858 3.794 1.00 0.00 H new ATOM 64 N ALA A 6 -9.918 9.568 1.743 1.00 0.00 N ATOM 65 CA ALA A 6 -10.535 8.943 0.585 1.00 0.00 C ATOM 66 C ALA A 6 -9.491 8.591 -0.468 1.00 0.00 C ATOM 67 O ALA A 6 -8.735 9.450 -0.921 1.00 0.00 O ATOM 68 CB ALA A 6 -11.597 9.860 -0.004 1.00 0.00 C ATOM 0 H ALA A 6 -9.538 10.498 1.569 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.010 8.017 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.052 9.380 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.364 10.057 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.137 10.800 -0.309 1.00 0.00 H new ATOM 74 N ALA A 7 -9.458 7.320 -0.852 1.00 0.00 N ATOM 75 CA ALA A 7 -8.511 6.846 -1.851 1.00 0.00 C ATOM 76 C ALA A 7 -9.130 5.741 -2.696 1.00 0.00 C ATOM 77 O ALA A 7 -9.998 5.003 -2.229 1.00 0.00 O ATOM 78 CB ALA A 7 -7.240 6.349 -1.178 1.00 0.00 C ATOM 0 H ALA A 7 -10.078 6.599 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.257 7.678 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.540 5.997 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.785 7.163 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.483 5.530 -0.501 1.00 0.00 H new ATOM 84 N ILE A 8 -8.680 5.627 -3.939 1.00 0.00 N ATOM 85 CA ILE A 8 -9.193 4.606 -4.839 1.00 0.00 C ATOM 86 C ILE A 8 -8.431 3.296 -4.651 1.00 0.00 C ATOM 87 O ILE A 8 -7.208 3.255 -4.770 1.00 0.00 O ATOM 88 CB ILE A 8 -9.114 5.064 -6.319 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.395 4.674 -7.064 1.00 0.00 C ATOM 90 CG2 ILE A 8 -7.888 4.483 -7.013 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.165 3.787 -8.272 1.00 0.00 C ATOM 0 H ILE A 8 -7.963 6.228 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.242 4.444 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.018 6.150 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.063 4.161 -6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.906 5.582 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.861 4.822 -8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.987 4.816 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.938 3.394 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.121 3.557 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.524 4.304 -8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.684 2.861 -7.957 1.00 0.00 H new ATOM 103 N PHE A 9 -9.162 2.232 -4.355 1.00 0.00 N ATOM 104 CA PHE A 9 -8.556 0.922 -4.146 1.00 0.00 C ATOM 105 C PHE A 9 -9.041 -0.074 -5.190 1.00 0.00 C ATOM 106 O PHE A 9 -10.216 -0.080 -5.560 1.00 0.00 O ATOM 107 CB PHE A 9 -8.875 0.405 -2.742 1.00 0.00 C ATOM 108 CG PHE A 9 -7.884 -0.603 -2.233 1.00 0.00 C ATOM 109 CD1 PHE A 9 -8.036 -1.949 -2.522 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.802 -0.203 -1.465 1.00 0.00 C ATOM 111 CE1 PHE A 9 -7.126 -2.879 -2.054 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.889 -1.128 -0.995 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.052 -2.468 -1.290 1.00 0.00 C ATOM 0 H PHE A 9 -10.177 2.248 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.476 1.030 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.910 1.248 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.868 -0.044 -2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.874 -2.276 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.671 0.843 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.255 -3.926 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.049 -0.804 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.340 -3.193 -0.923 1.00 0.00 H new ATOM 123 N GLU A 10 -8.128 -0.913 -5.669 1.00 0.00 N ATOM 124 CA GLU A 10 -8.463 -1.909 -6.677 1.00 0.00 C ATOM 125 C GLU A 10 -9.047 -1.242 -7.918 1.00 0.00 C ATOM 126 O GLU A 10 -9.803 -1.858 -8.669 1.00 0.00 O ATOM 127 CB GLU A 10 -9.459 -2.924 -6.112 1.00 0.00 C ATOM 128 CG GLU A 10 -8.798 -4.089 -5.393 1.00 0.00 C ATOM 129 CD GLU A 10 -9.754 -5.238 -5.143 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.581 -5.527 -6.033 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.677 -5.849 -4.056 1.00 0.00 O ATOM 0 H GLU A 10 -7.151 -0.922 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.548 -2.430 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.131 -2.415 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.072 -3.311 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.955 -4.445 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.396 -3.742 -4.441 1.00 0.00 H new ATOM 138 N LYS A 11 -8.691 0.024 -8.126 1.00 0.00 N ATOM 139 CA LYS A 11 -9.177 0.776 -9.268 1.00 0.00 C ATOM 140 C LYS A 11 -10.685 0.948 -9.194 1.00 0.00 C ATOM 141 O LYS A 11 -11.393 0.830 -10.194 1.00 0.00 O ATOM 142 CB LYS A 11 -8.764 0.086 -10.566 1.00 0.00 C ATOM 143 CG LYS A 11 -7.340 -0.451 -10.529 1.00 0.00 C ATOM 144 CD LYS A 11 -6.323 0.665 -10.327 1.00 0.00 C ATOM 145 CE LYS A 11 -6.431 1.724 -11.413 1.00 0.00 C ATOM 146 NZ LYS A 11 -7.240 2.893 -10.970 1.00 0.00 N ATOM 0 H LYS A 11 -8.065 0.547 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.728 1.769 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.451 -0.736 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.859 0.791 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.246 -1.179 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.125 -0.976 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.477 1.126 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.317 0.245 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.433 2.059 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.883 1.286 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.892 3.754 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.237 2.741 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.157 3.002 -9.939 1.00 0.00 H new ATOM 160 N VAL A 12 -11.162 1.238 -7.989 1.00 0.00 N ATOM 161 CA VAL A 12 -12.577 1.443 -7.746 1.00 0.00 C ATOM 162 C VAL A 12 -12.775 2.500 -6.660 1.00 0.00 C ATOM 163 O VAL A 12 -12.507 2.251 -5.485 1.00 0.00 O ATOM 164 CB VAL A 12 -13.252 0.119 -7.335 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.535 0.362 -6.549 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.529 -0.736 -8.562 1.00 0.00 C ATOM 0 H VAL A 12 -10.578 1.336 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.042 1.794 -8.667 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.564 -0.416 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.982 -0.594 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.306 0.926 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.236 0.928 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.006 -1.667 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.190 -0.196 -9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.591 -0.958 -9.070 1.00 0.00 H new ATOM 176 N SER A 13 -13.230 3.685 -7.072 1.00 0.00 N ATOM 177 CA SER A 13 -13.455 4.808 -6.155 1.00 0.00 C ATOM 178 C SER A 13 -13.949 4.344 -4.788 1.00 0.00 C ATOM 179 O SER A 13 -14.948 3.633 -4.683 1.00 0.00 O ATOM 180 CB SER A 13 -14.460 5.788 -6.761 1.00 0.00 C ATOM 181 OG SER A 13 -15.560 5.102 -7.334 1.00 0.00 O ATOM 0 H SER A 13 -13.452 3.894 -8.045 1.00 0.00 H new ATOM 0 HA SER A 13 -12.496 5.305 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.816 6.472 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.968 6.393 -7.522 1.00 0.00 H new ATOM 0 HG SER A 13 -15.834 4.371 -6.742 1.00 0.00 H new ATOM 187 N GLY A 14 -13.238 4.756 -3.742 1.00 0.00 N ATOM 188 CA GLY A 14 -13.616 4.379 -2.394 1.00 0.00 C ATOM 189 C GLY A 14 -13.039 5.303 -1.341 1.00 0.00 C ATOM 190 O GLY A 14 -12.565 6.395 -1.653 1.00 0.00 O ATOM 0 H GLY A 14 -12.407 5.344 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.703 4.378 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.281 3.360 -2.199 1.00 0.00 H new ATOM 194 N ILE A 15 -13.090 4.861 -0.090 1.00 0.00 N ATOM 195 CA ILE A 15 -12.582 5.642 1.028 1.00 0.00 C ATOM 196 C ILE A 15 -11.747 4.785 1.973 1.00 0.00 C ATOM 197 O ILE A 15 -11.978 3.582 2.097 1.00 0.00 O ATOM 198 CB ILE A 15 -13.726 6.290 1.822 1.00 0.00 C ATOM 199 CG1 ILE A 15 -14.716 6.985 0.882 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.161 7.274 2.829 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.076 7.999 -0.040 1.00 0.00 C ATOM 0 H ILE A 15 -13.482 3.958 0.175 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.952 6.423 0.603 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.266 5.509 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.222 6.230 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.481 7.482 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.977 7.730 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.497 6.750 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.602 8.050 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.841 8.448 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.594 8.776 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.332 7.504 -0.664 1.00 0.00 H new ATOM 213 N ILE A 16 -10.779 5.407 2.642 1.00 0.00 N ATOM 214 CA ILE A 16 -9.915 4.689 3.570 1.00 0.00 C ATOM 215 C ILE A 16 -10.180 5.101 5.015 1.00 0.00 C ATOM 216 O ILE A 16 -10.528 6.248 5.296 1.00 0.00 O ATOM 217 CB ILE A 16 -8.411 4.915 3.276 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.178 5.399 1.839 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.624 3.640 3.542 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.473 6.735 1.766 1.00 0.00 C ATOM 0 H ILE A 16 -10.575 6.403 2.558 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.152 3.634 3.430 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.057 5.698 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.589 4.655 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.138 5.474 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.569 3.813 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.743 3.350 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.996 2.842 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.339 7.019 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.072 7.491 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.499 6.659 2.249 1.00 0.00 H new ATOM 232 N ALA A 17 -9.990 4.155 5.925 1.00 0.00 N ATOM 233 CA ALA A 17 -10.178 4.394 7.350 1.00 0.00 C ATOM 234 C ALA A 17 -9.122 3.633 8.141 1.00 0.00 C ATOM 235 O ALA A 17 -8.947 2.431 7.951 1.00 0.00 O ATOM 236 CB ALA A 17 -11.577 3.978 7.781 1.00 0.00 C ATOM 0 H ALA A 17 -9.702 3.203 5.697 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.068 5.460 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.699 4.164 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.316 4.555 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.719 2.916 7.579 1.00 0.00 H new ATOM 242 N ILE A 18 -8.405 4.332 9.013 1.00 0.00 N ATOM 243 CA ILE A 18 -7.358 3.702 9.800 1.00 0.00 C ATOM 244 C ILE A 18 -7.882 3.246 11.160 1.00 0.00 C ATOM 245 O ILE A 18 -8.437 4.036 11.924 1.00 0.00 O ATOM 246 CB ILE A 18 -6.155 4.662 9.989 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.940 4.165 9.205 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.804 4.831 11.458 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.747 4.877 7.883 1.00 0.00 C ATOM 0 H ILE A 18 -8.530 5.329 9.191 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.022 2.822 9.251 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.448 5.637 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.045 4.296 9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.047 3.096 9.021 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.957 5.510 11.554 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.661 5.242 11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.542 3.862 11.883 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.868 4.476 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.626 4.725 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.608 5.943 8.061 1.00 0.00 H new ATOM 261 N ASN A 19 -7.683 1.968 11.456 1.00 0.00 N ATOM 262 CA ASN A 19 -8.109 1.400 12.720 1.00 0.00 C ATOM 263 C ASN A 19 -6.906 1.231 13.640 1.00 0.00 C ATOM 264 O ASN A 19 -6.610 0.129 14.103 1.00 0.00 O ATOM 265 CB ASN A 19 -8.801 0.054 12.498 1.00 0.00 C ATOM 266 CG ASN A 19 -9.667 -0.352 13.674 1.00 0.00 C ATOM 267 OD1 ASN A 19 -9.174 -0.892 14.665 1.00 0.00 O ATOM 268 ND2 ASN A 19 -10.965 -0.094 13.571 1.00 0.00 N ATOM 0 H ASN A 19 -7.226 1.305 10.830 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.823 2.078 13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.416 0.108 11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.048 -0.714 12.323 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.597 -0.345 14.332 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.331 0.355 12.731 1.00 0.00 H new ATOM 275 N GLU A 20 -6.205 2.334 13.885 1.00 0.00 N ATOM 276 CA GLU A 20 -5.020 2.316 14.733 1.00 0.00 C ATOM 277 C GLU A 20 -5.378 2.460 16.214 1.00 0.00 C ATOM 278 O GLU A 20 -4.503 2.670 17.053 1.00 0.00 O ATOM 279 CB GLU A 20 -4.036 3.408 14.283 1.00 0.00 C ATOM 280 CG GLU A 20 -3.968 4.613 15.202 1.00 0.00 C ATOM 281 CD GLU A 20 -3.127 5.738 14.630 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.909 5.531 14.442 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.685 6.824 14.370 1.00 0.00 O ATOM 0 H GLU A 20 -6.438 3.252 13.507 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.536 1.345 14.622 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.040 2.971 14.203 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.318 3.744 13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.977 4.979 15.390 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.555 4.309 16.164 1.00 0.00 H new ATOM 290 N ASP A 21 -6.660 2.313 16.540 1.00 0.00 N ATOM 291 CA ASP A 21 -7.100 2.399 17.923 1.00 0.00 C ATOM 292 C ASP A 21 -6.578 1.197 18.696 1.00 0.00 C ATOM 293 O ASP A 21 -6.463 1.228 19.921 1.00 0.00 O ATOM 294 CB ASP A 21 -8.627 2.452 17.998 1.00 0.00 C ATOM 295 CG ASP A 21 -9.155 3.873 18.032 1.00 0.00 C ATOM 296 OD1 ASP A 21 -8.457 4.753 18.579 1.00 0.00 O ATOM 297 OD2 ASP A 21 -10.267 4.106 17.513 1.00 0.00 O ATOM 0 H ASP A 21 -7.406 2.135 15.867 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.704 3.313 18.365 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.049 1.931 17.138 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.963 1.921 18.889 1.00 0.00 H new ATOM 302 N VAL A 22 -6.252 0.138 17.958 1.00 0.00 N ATOM 303 CA VAL A 22 -5.729 -1.077 18.551 1.00 0.00 C ATOM 304 C VAL A 22 -4.201 -1.062 18.534 1.00 0.00 C ATOM 305 O VAL A 22 -3.592 -0.470 17.643 1.00 0.00 O ATOM 306 CB VAL A 22 -6.252 -2.325 17.807 1.00 0.00 C ATOM 307 CG1 VAL A 22 -5.705 -2.377 16.387 1.00 0.00 C ATOM 308 CG2 VAL A 22 -5.910 -3.598 18.569 1.00 0.00 C ATOM 0 H VAL A 22 -6.344 0.104 16.943 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.073 -1.123 19.584 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.338 -2.252 17.749 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.087 -3.264 15.882 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.020 -1.486 15.843 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.616 -2.417 16.418 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.290 -4.462 18.023 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.828 -3.681 18.672 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.367 -3.564 19.558 1.00 0.00 H new ATOM 318 N SER A 23 -3.587 -1.699 19.531 1.00 0.00 N ATOM 319 CA SER A 23 -2.127 -1.746 19.642 1.00 0.00 C ATOM 320 C SER A 23 -1.450 -1.931 18.280 1.00 0.00 C ATOM 321 O SER A 23 -0.719 -1.053 17.821 1.00 0.00 O ATOM 322 CB SER A 23 -1.706 -2.871 20.591 1.00 0.00 C ATOM 323 OG SER A 23 -1.643 -2.412 21.930 1.00 0.00 O ATOM 0 H SER A 23 -4.079 -2.192 20.276 1.00 0.00 H new ATOM 0 HA SER A 23 -1.801 -0.787 20.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.415 -3.696 20.519 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.733 -3.260 20.290 1.00 0.00 H new ATOM 0 HG SER A 23 -1.374 -3.150 22.516 1.00 0.00 H new ATOM 329 N PRO A 24 -1.676 -3.079 17.616 1.00 0.00 N ATOM 330 CA PRO A 24 -1.074 -3.366 16.307 1.00 0.00 C ATOM 331 C PRO A 24 -1.498 -2.371 15.229 1.00 0.00 C ATOM 332 O PRO A 24 -0.767 -2.134 14.271 1.00 0.00 O ATOM 333 CB PRO A 24 -1.586 -4.772 15.969 1.00 0.00 C ATOM 334 CG PRO A 24 -2.784 -4.970 16.832 1.00 0.00 C ATOM 335 CD PRO A 24 -2.525 -4.186 18.085 1.00 0.00 C ATOM 0 HA PRO A 24 0.013 -3.292 16.345 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.844 -4.854 14.913 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.826 -5.527 16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.687 -4.620 16.332 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.933 -6.026 17.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.450 -3.823 18.532 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.021 -4.788 18.841 1.00 0.00 H new ATOM 343 N ALA A 25 -2.676 -1.784 15.392 1.00 0.00 N ATOM 344 CA ALA A 25 -3.184 -0.814 14.432 1.00 0.00 C ATOM 345 C ALA A 25 -3.325 -1.431 13.042 1.00 0.00 C ATOM 346 O ALA A 25 -2.572 -2.332 12.673 1.00 0.00 O ATOM 347 CB ALA A 25 -2.263 0.391 14.389 1.00 0.00 C ATOM 0 H ALA A 25 -3.298 -1.963 16.180 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.176 -0.497 14.753 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.645 1.116 13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.217 0.850 15.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.264 0.075 14.089 1.00 0.00 H new ATOM 353 N GLU A 26 -4.296 -0.945 12.273 1.00 0.00 N ATOM 354 CA GLU A 26 -4.530 -1.456 10.930 1.00 0.00 C ATOM 355 C GLU A 26 -5.175 -0.403 10.032 1.00 0.00 C ATOM 356 O GLU A 26 -5.685 0.611 10.508 1.00 0.00 O ATOM 357 CB GLU A 26 -5.414 -2.705 10.980 1.00 0.00 C ATOM 358 CG GLU A 26 -5.039 -3.678 12.086 1.00 0.00 C ATOM 359 CD GLU A 26 -5.943 -4.895 12.122 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.161 -4.724 12.337 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.432 -6.019 11.935 1.00 0.00 O ATOM 0 H GLU A 26 -4.931 -0.200 12.558 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.560 -1.716 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.452 -2.399 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.355 -3.219 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.007 -4.000 11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.086 -3.166 13.047 1.00 0.00 H new ATOM 368 N LEU A 27 -5.157 -0.666 8.728 1.00 0.00 N ATOM 369 CA LEU A 27 -5.746 0.230 7.747 1.00 0.00 C ATOM 370 C LEU A 27 -6.935 -0.452 7.074 1.00 0.00 C ATOM 371 O LEU A 27 -6.792 -1.523 6.483 1.00 0.00 O ATOM 372 CB LEU A 27 -4.707 0.628 6.697 1.00 0.00 C ATOM 373 CG LEU A 27 -5.223 1.551 5.592 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.085 2.372 5.007 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.914 0.743 4.504 1.00 0.00 C ATOM 0 H LEU A 27 -4.735 -1.503 8.327 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.089 1.131 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.874 1.119 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.312 -0.278 6.237 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.951 2.236 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.472 3.023 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.633 2.979 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.333 1.704 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.275 1.415 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.207 0.035 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.756 0.200 4.933 1.00 0.00 H new ATOM 387 N THR A 28 -8.110 0.159 7.181 1.00 0.00 N ATOM 388 CA THR A 28 -9.321 -0.409 6.596 1.00 0.00 C ATOM 389 C THR A 28 -9.889 0.488 5.502 1.00 0.00 C ATOM 390 O THR A 28 -10.187 1.657 5.739 1.00 0.00 O ATOM 391 CB THR A 28 -10.377 -0.625 7.683 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.893 -1.496 8.688 1.00 0.00 O ATOM 393 CG2 THR A 28 -11.673 -1.205 7.157 1.00 0.00 C ATOM 0 H THR A 28 -8.250 1.045 7.666 1.00 0.00 H new ATOM 0 HA THR A 28 -9.055 -1.366 6.146 1.00 0.00 H new ATOM 0 HB THR A 28 -10.581 0.367 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.582 -1.620 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.376 -1.332 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.100 -0.529 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.477 -2.173 6.695 1.00 0.00 H new ATOM 401 N TRP A 29 -10.052 -0.072 4.307 1.00 0.00 N ATOM 402 CA TRP A 29 -10.602 0.683 3.181 1.00 0.00 C ATOM 403 C TRP A 29 -11.769 -0.050 2.535 1.00 0.00 C ATOM 404 O TRP A 29 -11.744 -1.269 2.387 1.00 0.00 O ATOM 405 CB TRP A 29 -9.542 0.966 2.107 1.00 0.00 C ATOM 406 CG TRP A 29 -10.143 1.518 0.839 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.101 2.812 0.403 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.901 0.791 -0.141 1.00 0.00 C ATOM 409 NE1 TRP A 29 -10.795 2.937 -0.778 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.285 1.707 -1.138 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.291 -0.547 -0.273 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.038 1.328 -2.248 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.040 -0.919 -1.372 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.406 0.015 -2.347 1.00 0.00 C ATOM 0 H TRP A 29 -9.813 -1.040 4.092 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.951 1.630 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.812 1.674 2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.003 0.046 1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.596 3.620 0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.924 3.803 -1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.011 -1.276 0.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.321 2.046 -3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.348 -1.948 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.991 -0.308 -3.195 1.00 0.00 H new ATOM 425 N ARG A 30 -12.771 0.714 2.115 1.00 0.00 N ATOM 426 CA ARG A 30 -13.933 0.149 1.433 1.00 0.00 C ATOM 427 C ARG A 30 -14.375 1.061 0.298 1.00 0.00 C ATOM 428 O ARG A 30 -14.040 2.246 0.272 1.00 0.00 O ATOM 429 CB ARG A 30 -15.102 -0.079 2.393 1.00 0.00 C ATOM 430 CG ARG A 30 -15.709 1.198 2.925 1.00 0.00 C ATOM 431 CD ARG A 30 -17.108 0.967 3.473 1.00 0.00 C ATOM 432 NE ARG A 30 -18.142 1.349 2.515 1.00 0.00 N ATOM 433 CZ ARG A 30 -19.411 1.574 2.844 1.00 0.00 C ATOM 434 NH1 ARG A 30 -19.808 1.457 4.106 1.00 0.00 N ATOM 435 NH2 ARG A 30 -20.287 1.918 1.910 1.00 0.00 N ATOM 0 H ARG A 30 -12.804 1.727 2.234 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.633 -0.818 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.875 -0.652 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.759 -0.685 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.072 1.604 3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.748 1.942 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.226 -0.085 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.236 1.539 4.392 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.875 1.449 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -19.138 1.193 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.782 1.631 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.988 2.010 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.260 2.091 2.162 1.00 0.00 H new ATOM 449 N SER A 31 -15.135 0.505 -0.633 1.00 0.00 N ATOM 450 CA SER A 31 -15.630 1.273 -1.768 1.00 0.00 C ATOM 451 C SER A 31 -16.484 2.443 -1.289 1.00 0.00 C ATOM 452 O SER A 31 -16.868 2.502 -0.121 1.00 0.00 O ATOM 453 CB SER A 31 -16.447 0.378 -2.703 1.00 0.00 C ATOM 454 OG SER A 31 -15.603 -0.460 -3.472 1.00 0.00 O ATOM 0 H SER A 31 -15.423 -0.474 -0.626 1.00 0.00 H new ATOM 0 HA SER A 31 -14.773 1.665 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.135 -0.232 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.053 0.996 -3.366 1.00 0.00 H new ATOM 0 HG SER A 31 -16.130 -0.905 -4.168 1.00 0.00 H new ATOM 460 N THR A 32 -16.785 3.367 -2.194 1.00 0.00 N ATOM 461 CA THR A 32 -17.600 4.523 -1.852 1.00 0.00 C ATOM 462 C THR A 32 -19.015 4.091 -1.513 1.00 0.00 C ATOM 463 O THR A 32 -19.707 4.734 -0.724 1.00 0.00 O ATOM 464 CB THR A 32 -17.623 5.525 -2.998 1.00 0.00 C ATOM 465 OG1 THR A 32 -16.467 5.398 -3.807 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.709 6.961 -2.531 1.00 0.00 C ATOM 0 H THR A 32 -16.478 3.337 -3.166 1.00 0.00 H new ATOM 0 HA THR A 32 -17.158 5.004 -0.979 1.00 0.00 H new ATOM 0 HB THR A 32 -18.522 5.291 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.541 4.592 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.722 7.625 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.622 7.101 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.845 7.193 -1.908 1.00 0.00 H new ATOM 474 N ASP A 33 -19.432 2.988 -2.114 1.00 0.00 N ATOM 475 CA ASP A 33 -20.758 2.445 -1.884 1.00 0.00 C ATOM 476 C ASP A 33 -20.934 1.138 -2.648 1.00 0.00 C ATOM 477 O ASP A 33 -21.949 0.926 -3.312 1.00 0.00 O ATOM 478 CB ASP A 33 -21.830 3.452 -2.305 1.00 0.00 C ATOM 479 CG ASP A 33 -23.023 3.451 -1.369 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.242 2.428 -0.688 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.739 4.473 -1.319 1.00 0.00 O ATOM 0 H ASP A 33 -18.865 2.449 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.869 2.246 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.395 4.451 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.165 3.221 -3.316 1.00 0.00 H new ATOM 486 N GLY A 34 -19.935 0.264 -2.553 1.00 0.00 N ATOM 487 CA GLY A 34 -20.001 -1.009 -3.247 1.00 0.00 C ATOM 488 C GLY A 34 -20.093 -2.186 -2.298 1.00 0.00 C ATOM 489 O GLY A 34 -19.800 -3.320 -2.678 1.00 0.00 O ATOM 0 H GLY A 34 -19.085 0.414 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.866 -1.013 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.118 -1.122 -3.876 1.00 0.00 H new ATOM 493 N ASP A 35 -20.499 -1.918 -1.060 1.00 0.00 N ATOM 494 CA ASP A 35 -20.626 -2.961 -0.047 1.00 0.00 C ATOM 495 C ASP A 35 -19.407 -3.874 -0.045 1.00 0.00 C ATOM 496 O ASP A 35 -19.503 -5.062 0.260 1.00 0.00 O ATOM 497 CB ASP A 35 -21.898 -3.778 -0.279 1.00 0.00 C ATOM 498 CG ASP A 35 -23.069 -3.270 0.540 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.030 -2.097 0.967 1.00 0.00 O ATOM 500 OD2 ASP A 35 -24.025 -4.045 0.754 1.00 0.00 O ATOM 0 H ASP A 35 -20.746 -0.984 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.690 -2.477 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.158 -3.748 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.707 -4.821 -0.027 1.00 0.00 H new ATOM 505 N LYS A 36 -18.262 -3.300 -0.385 1.00 0.00 N ATOM 506 CA LYS A 36 -17.019 -4.036 -0.426 1.00 0.00 C ATOM 507 C LYS A 36 -15.950 -3.317 0.385 1.00 0.00 C ATOM 508 O LYS A 36 -15.823 -2.096 0.318 1.00 0.00 O ATOM 509 CB LYS A 36 -16.577 -4.231 -1.872 1.00 0.00 C ATOM 510 CG LYS A 36 -15.954 -2.998 -2.491 1.00 0.00 C ATOM 511 CD LYS A 36 -14.481 -2.897 -2.144 1.00 0.00 C ATOM 512 CE LYS A 36 -13.600 -3.141 -3.358 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.339 -3.846 -2.997 1.00 0.00 N ATOM 0 H LYS A 36 -18.174 -2.316 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.171 -5.019 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.859 -5.050 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.439 -4.530 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.074 -3.031 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.475 -2.108 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.271 -1.909 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.239 -3.622 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.149 -3.731 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.361 -2.188 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.528 -3.338 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.243 -3.877 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.364 -4.816 -3.372 1.00 0.00 H new ATOM 527 N VAL A 37 -15.193 -4.082 1.159 1.00 0.00 N ATOM 528 CA VAL A 37 -14.148 -3.523 1.996 1.00 0.00 C ATOM 529 C VAL A 37 -12.903 -4.399 1.988 1.00 0.00 C ATOM 530 O VAL A 37 -12.956 -5.580 1.646 1.00 0.00 O ATOM 531 CB VAL A 37 -14.619 -3.350 3.458 1.00 0.00 C ATOM 532 CG1 VAL A 37 -13.614 -2.538 4.263 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.001 -2.707 3.516 1.00 0.00 C ATOM 0 H VAL A 37 -15.286 -5.096 1.223 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.909 -2.545 1.577 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.688 -4.342 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.970 -2.431 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.651 -3.049 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.500 -1.551 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.308 -2.597 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.966 -1.726 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.718 -3.338 2.991 1.00 0.00 H new ATOM 543 N HIS A 38 -11.787 -3.805 2.383 1.00 0.00 N ATOM 544 CA HIS A 38 -10.516 -4.508 2.446 1.00 0.00 C ATOM 545 C HIS A 38 -9.625 -3.873 3.506 1.00 0.00 C ATOM 546 O HIS A 38 -9.230 -2.713 3.386 1.00 0.00 O ATOM 547 CB HIS A 38 -9.818 -4.476 1.084 1.00 0.00 C ATOM 548 CG HIS A 38 -9.092 -5.743 0.754 1.00 0.00 C ATOM 549 ND1 HIS A 38 -7.926 -6.128 1.382 1.00 0.00 N ATOM 550 CD2 HIS A 38 -9.372 -6.717 -0.144 1.00 0.00 C ATOM 551 CE1 HIS A 38 -7.520 -7.282 0.884 1.00 0.00 C ATOM 552 NE2 HIS A 38 -8.381 -7.661 -0.043 1.00 0.00 N ATOM 0 H HIS A 38 -11.737 -2.827 2.668 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.704 -5.548 2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.559 -4.279 0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.111 -3.647 1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -10.218 -6.746 -0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.635 -7.823 1.184 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.319 -8.517 -0.595 1.00 0.00 H new ATOM 561 N THR A 39 -9.321 -4.635 4.548 1.00 0.00 N ATOM 562 CA THR A 39 -8.490 -4.147 5.632 1.00 0.00 C ATOM 563 C THR A 39 -7.170 -4.907 5.689 1.00 0.00 C ATOM 564 O THR A 39 -7.138 -6.124 5.510 1.00 0.00 O ATOM 565 CB THR A 39 -9.223 -4.286 6.966 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.472 -3.619 6.925 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.443 -3.732 8.138 1.00 0.00 C ATOM 0 H THR A 39 -9.641 -5.597 4.662 1.00 0.00 H new ATOM 0 HA THR A 39 -8.278 -3.094 5.447 1.00 0.00 H new ATOM 0 HB THR A 39 -9.354 -5.358 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.883 -3.639 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.020 -3.863 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.495 -4.263 8.228 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.251 -2.671 7.978 1.00 0.00 H new ATOM 575 N VAL A 40 -6.082 -4.188 5.945 1.00 0.00 N ATOM 576 CA VAL A 40 -4.766 -4.810 6.028 1.00 0.00 C ATOM 577 C VAL A 40 -4.069 -4.456 7.340 1.00 0.00 C ATOM 578 O VAL A 40 -4.162 -3.326 7.821 1.00 0.00 O ATOM 579 CB VAL A 40 -3.866 -4.406 4.839 1.00 0.00 C ATOM 580 CG1 VAL A 40 -4.657 -4.409 3.540 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.227 -3.045 5.075 1.00 0.00 C ATOM 0 H VAL A 40 -6.085 -3.180 6.098 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.926 -5.888 5.990 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.068 -5.144 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.004 -4.122 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.053 -5.408 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.481 -3.700 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.599 -2.785 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.007 -2.293 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.617 -3.081 5.978 1.00 0.00 H new ATOM 591 N VAL A 41 -3.370 -5.430 7.907 1.00 0.00 N ATOM 592 CA VAL A 41 -2.650 -5.235 9.157 1.00 0.00 C ATOM 593 C VAL A 41 -1.145 -5.211 8.914 1.00 0.00 C ATOM 594 O VAL A 41 -0.636 -5.954 8.079 1.00 0.00 O ATOM 595 CB VAL A 41 -2.986 -6.348 10.169 1.00 0.00 C ATOM 596 CG1 VAL A 41 -2.414 -7.685 9.719 1.00 0.00 C ATOM 597 CG2 VAL A 41 -2.480 -5.981 11.557 1.00 0.00 C ATOM 0 H VAL A 41 -3.287 -6.369 7.517 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.963 -4.276 9.570 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.070 -6.447 10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.665 -8.453 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.836 -7.954 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.330 -7.607 9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.727 -6.779 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.399 -5.847 11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.952 -5.054 11.883 1.00 0.00 H new ATOM 607 N LEU A 42 -0.435 -4.353 9.641 1.00 0.00 N ATOM 608 CA LEU A 42 1.010 -4.241 9.483 1.00 0.00 C ATOM 609 C LEU A 42 1.687 -5.601 9.560 1.00 0.00 C ATOM 610 O LEU A 42 2.685 -5.847 8.882 1.00 0.00 O ATOM 611 CB LEU A 42 1.583 -3.310 10.543 1.00 0.00 C ATOM 612 CG LEU A 42 2.046 -1.958 10.004 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.555 -0.829 10.891 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.561 -1.923 9.877 1.00 0.00 C ATOM 0 H LEU A 42 -0.835 -3.729 10.341 1.00 0.00 H new ATOM 0 HA LEU A 42 1.206 -3.825 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.828 -3.143 11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.426 -3.804 11.027 1.00 0.00 H new ATOM 0 HG LEU A 42 1.617 -1.821 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.896 0.125 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.466 -0.840 10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.950 -0.960 11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.871 -0.952 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.012 -2.086 10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.887 -2.706 9.192 1.00 0.00 H new ATOM 626 N SER A 43 1.135 -6.487 10.377 1.00 0.00 N ATOM 627 CA SER A 43 1.687 -7.829 10.526 1.00 0.00 C ATOM 628 C SER A 43 1.944 -8.462 9.157 1.00 0.00 C ATOM 629 O SER A 43 2.828 -9.306 9.009 1.00 0.00 O ATOM 630 CB SER A 43 0.737 -8.709 11.340 1.00 0.00 C ATOM 631 OG SER A 43 1.449 -9.709 12.050 1.00 0.00 O ATOM 0 H SER A 43 0.308 -6.303 10.946 1.00 0.00 H new ATOM 0 HA SER A 43 2.636 -7.750 11.056 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.175 -8.091 12.041 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.011 -9.178 10.675 1.00 0.00 H new ATOM 0 HG SER A 43 0.819 -10.257 12.563 1.00 0.00 H new ATOM 637 N THR A 44 1.173 -8.035 8.157 1.00 0.00 N ATOM 638 CA THR A 44 1.322 -8.542 6.799 1.00 0.00 C ATOM 639 C THR A 44 2.080 -7.533 5.941 1.00 0.00 C ATOM 640 O THR A 44 2.718 -7.893 4.954 1.00 0.00 O ATOM 641 CB THR A 44 -0.053 -8.832 6.195 1.00 0.00 C ATOM 642 OG1 THR A 44 0.055 -9.724 5.100 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.777 -7.594 5.712 1.00 0.00 C ATOM 0 H THR A 44 0.437 -7.337 8.266 1.00 0.00 H new ATOM 0 HA THR A 44 1.893 -9.470 6.828 1.00 0.00 H new ATOM 0 HB THR A 44 -0.632 -9.272 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.836 -9.897 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.744 -7.877 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.927 -6.911 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.182 -7.101 4.943 1.00 0.00 H new ATOM 651 N ILE A 45 1.999 -6.268 6.341 1.00 0.00 N ATOM 652 CA ILE A 45 2.674 -5.180 5.637 1.00 0.00 C ATOM 653 C ILE A 45 3.632 -4.457 6.583 1.00 0.00 C ATOM 654 O ILE A 45 3.201 -3.824 7.547 1.00 0.00 O ATOM 655 CB ILE A 45 1.652 -4.175 5.038 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.339 -2.860 4.617 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.515 -3.912 6.018 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.961 -1.651 5.451 1.00 0.00 C ATOM 0 H ILE A 45 1.467 -5.968 7.158 1.00 0.00 H new ATOM 0 HA ILE A 45 3.242 -5.612 4.813 1.00 0.00 H new ATOM 0 HB ILE A 45 1.228 -4.624 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.419 -2.997 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.094 -2.656 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.189 -3.206 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.000 -4.847 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.919 -3.495 6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.492 -0.774 5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.887 -1.481 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.232 -1.828 6.492 1.00 0.00 H new ATOM 670 N ASP A 46 4.936 -4.567 6.319 1.00 0.00 N ATOM 671 CA ASP A 46 5.933 -3.932 7.178 1.00 0.00 C ATOM 672 C ASP A 46 6.645 -2.774 6.493 1.00 0.00 C ATOM 673 O ASP A 46 7.741 -2.384 6.894 1.00 0.00 O ATOM 674 CB ASP A 46 6.952 -4.961 7.668 1.00 0.00 C ATOM 675 CG ASP A 46 7.473 -4.643 9.056 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.492 -3.450 9.424 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.861 -5.588 9.775 1.00 0.00 O ATOM 0 H ASP A 46 5.321 -5.083 5.528 1.00 0.00 H new ATOM 0 HA ASP A 46 5.395 -3.519 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.492 -5.949 7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.788 -5.002 6.970 1.00 0.00 H new ATOM 682 N LYS A 47 6.007 -2.215 5.482 1.00 0.00 N ATOM 683 CA LYS A 47 6.566 -1.074 4.756 1.00 0.00 C ATOM 684 C LYS A 47 5.491 -0.360 3.945 1.00 0.00 C ATOM 685 O LYS A 47 4.524 -0.974 3.495 1.00 0.00 O ATOM 686 CB LYS A 47 7.717 -1.492 3.827 1.00 0.00 C ATOM 687 CG LYS A 47 8.257 -2.891 4.070 1.00 0.00 C ATOM 688 CD LYS A 47 9.268 -3.284 3.005 1.00 0.00 C ATOM 689 CE LYS A 47 9.620 -4.762 3.085 1.00 0.00 C ATOM 690 NZ LYS A 47 11.085 -4.975 3.246 1.00 0.00 N ATOM 0 H LYS A 47 5.099 -2.528 5.139 1.00 0.00 H new ATOM 0 HA LYS A 47 6.963 -0.390 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.374 -1.424 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.533 -0.778 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.725 -2.937 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.434 -3.605 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.864 -3.059 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.172 -2.687 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.093 -5.216 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.277 -5.267 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.284 -5.995 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.587 -4.564 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.409 -4.515 4.121 1.00 0.00 H new ATOM 704 N LEU A 48 5.676 0.943 3.756 1.00 0.00 N ATOM 705 CA LEU A 48 4.734 1.749 2.992 1.00 0.00 C ATOM 706 C LEU A 48 5.477 2.700 2.051 1.00 0.00 C ATOM 707 O LEU A 48 6.353 3.452 2.473 1.00 0.00 O ATOM 708 CB LEU A 48 3.795 2.525 3.930 1.00 0.00 C ATOM 709 CG LEU A 48 4.397 3.729 4.669 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.738 3.376 5.294 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.529 4.927 3.736 1.00 0.00 C ATOM 0 H LEU A 48 6.473 1.463 4.123 1.00 0.00 H new ATOM 0 HA LEU A 48 4.125 1.080 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.944 2.875 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.406 1.829 4.674 1.00 0.00 H new ATOM 0 HG LEU A 48 3.716 4.001 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.140 4.248 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.604 2.562 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.432 3.065 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.958 5.768 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.179 4.667 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.545 5.204 3.358 1.00 0.00 H new ATOM 723 N GLN A 49 5.126 2.654 0.771 1.00 0.00 N ATOM 724 CA GLN A 49 5.759 3.506 -0.232 1.00 0.00 C ATOM 725 C GLN A 49 4.796 4.599 -0.689 1.00 0.00 C ATOM 726 O GLN A 49 3.716 4.310 -1.203 1.00 0.00 O ATOM 727 CB GLN A 49 6.205 2.666 -1.432 1.00 0.00 C ATOM 728 CG GLN A 49 7.661 2.877 -1.813 1.00 0.00 C ATOM 729 CD GLN A 49 8.442 1.578 -1.879 1.00 0.00 C ATOM 730 OE1 GLN A 49 9.520 1.458 -1.298 1.00 0.00 O ATOM 731 NE2 GLN A 49 7.899 0.597 -2.590 1.00 0.00 N ATOM 0 H GLN A 49 4.405 2.035 0.401 1.00 0.00 H new ATOM 0 HA GLN A 49 6.634 3.977 0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.046 1.612 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.575 2.907 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.711 3.376 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.130 3.542 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.003 0.740 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.378 -0.300 -2.671 1.00 0.00 H new ATOM 740 N ALA A 50 5.192 5.852 -0.499 1.00 0.00 N ATOM 741 CA ALA A 50 4.360 6.983 -0.894 1.00 0.00 C ATOM 742 C ALA A 50 5.140 7.953 -1.775 1.00 0.00 C ATOM 743 O ALA A 50 6.371 7.958 -1.770 1.00 0.00 O ATOM 744 CB ALA A 50 3.820 7.698 0.337 1.00 0.00 C ATOM 0 H ALA A 50 6.083 6.111 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 50 3.520 6.601 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.201 8.540 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.220 7.005 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.652 8.062 0.940 1.00 0.00 H new ATOM 750 N THR A 51 4.417 8.771 -2.532 1.00 0.00 N ATOM 751 CA THR A 51 5.044 9.743 -3.420 1.00 0.00 C ATOM 752 C THR A 51 5.483 10.985 -2.647 1.00 0.00 C ATOM 753 O THR A 51 5.070 11.196 -1.507 1.00 0.00 O ATOM 754 CB THR A 51 4.082 10.137 -4.545 1.00 0.00 C ATOM 755 OG1 THR A 51 2.777 9.652 -4.285 1.00 0.00 O ATOM 756 CG2 THR A 51 4.505 9.612 -5.900 1.00 0.00 C ATOM 0 H THR A 51 3.397 8.780 -2.549 1.00 0.00 H new ATOM 0 HA THR A 51 5.929 9.279 -3.857 1.00 0.00 H new ATOM 0 HB THR A 51 4.098 11.227 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.776 8.673 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.782 9.925 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.488 10.009 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.550 8.523 -5.871 1.00 0.00 H new ATOM 764 N PRO A 52 6.330 11.827 -3.264 1.00 0.00 N ATOM 765 CA PRO A 52 6.827 13.052 -2.631 1.00 0.00 C ATOM 766 C PRO A 52 5.759 14.138 -2.550 1.00 0.00 C ATOM 767 O PRO A 52 4.749 14.082 -3.253 1.00 0.00 O ATOM 768 CB PRO A 52 7.963 13.488 -3.557 1.00 0.00 C ATOM 769 CG PRO A 52 7.589 12.944 -4.891 1.00 0.00 C ATOM 770 CD PRO A 52 6.871 11.649 -4.625 1.00 0.00 C ATOM 0 HA PRO A 52 7.137 12.883 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.058 14.574 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.922 13.092 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.948 13.641 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.473 12.780 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.078 11.473 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.548 10.796 -4.679 1.00 0.00 H new ATOM 778 N ALA A 53 5.988 15.124 -1.690 1.00 0.00 N ATOM 779 CA ALA A 53 5.046 16.222 -1.518 1.00 0.00 C ATOM 780 C ALA A 53 4.856 16.990 -2.822 1.00 0.00 C ATOM 781 O ALA A 53 3.781 17.529 -3.086 1.00 0.00 O ATOM 782 CB ALA A 53 5.521 17.158 -0.417 1.00 0.00 C ATOM 0 H ALA A 53 6.819 15.185 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 53 4.083 15.800 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.807 17.974 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.600 16.607 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.497 17.565 -0.681 1.00 0.00 H new ATOM 788 N SER A 54 5.906 17.035 -3.635 1.00 0.00 N ATOM 789 CA SER A 54 5.855 17.736 -4.913 1.00 0.00 C ATOM 790 C SER A 54 5.100 16.919 -5.959 1.00 0.00 C ATOM 791 O SER A 54 4.660 17.455 -6.977 1.00 0.00 O ATOM 792 CB SER A 54 7.270 18.038 -5.410 1.00 0.00 C ATOM 793 OG SER A 54 7.253 18.491 -6.752 1.00 0.00 O ATOM 0 H SER A 54 6.803 16.594 -3.432 1.00 0.00 H new ATOM 0 HA SER A 54 5.321 18.674 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.729 18.794 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.885 17.141 -5.333 1.00 0.00 H new ATOM 0 HG SER A 54 8.169 18.679 -7.046 1.00 0.00 H new ATOM 799 N SER A 55 4.953 15.622 -5.705 1.00 0.00 N ATOM 800 CA SER A 55 4.251 14.736 -6.627 1.00 0.00 C ATOM 801 C SER A 55 2.832 15.233 -6.888 1.00 0.00 C ATOM 802 O SER A 55 2.237 15.911 -6.051 1.00 0.00 O ATOM 803 CB SER A 55 4.210 13.313 -6.066 1.00 0.00 C ATOM 804 OG SER A 55 4.418 12.355 -7.090 1.00 0.00 O ATOM 0 H SER A 55 5.311 15.161 -4.868 1.00 0.00 H new ATOM 0 HA SER A 55 4.794 14.732 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.974 13.200 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.247 13.135 -5.587 1.00 0.00 H new ATOM 0 HG SER A 55 3.566 12.158 -7.532 1.00 0.00 H new ATOM 810 N GLU A 56 2.298 14.892 -8.056 1.00 0.00 N ATOM 811 CA GLU A 56 0.949 15.304 -8.429 1.00 0.00 C ATOM 812 C GLU A 56 -0.003 14.112 -8.454 1.00 0.00 C ATOM 813 O GLU A 56 -1.214 14.270 -8.296 1.00 0.00 O ATOM 814 CB GLU A 56 0.963 15.988 -9.798 1.00 0.00 C ATOM 815 CG GLU A 56 -0.313 16.753 -10.108 1.00 0.00 C ATOM 816 CD GLU A 56 -0.492 17.011 -11.591 1.00 0.00 C ATOM 817 OE1 GLU A 56 -0.169 16.109 -12.393 1.00 0.00 O ATOM 818 OE2 GLU A 56 -0.956 18.113 -11.951 1.00 0.00 O ATOM 0 H GLU A 56 2.778 14.332 -8.760 1.00 0.00 H new ATOM 0 HA GLU A 56 0.594 16.010 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.809 16.674 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.122 15.235 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.169 16.191 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.300 17.704 -9.576 1.00 0.00 H new ATOM 825 N LYS A 57 0.548 12.917 -8.655 1.00 0.00 N ATOM 826 CA LYS A 57 -0.258 11.702 -8.702 1.00 0.00 C ATOM 827 C LYS A 57 -1.071 11.535 -7.421 1.00 0.00 C ATOM 828 O LYS A 57 -2.243 11.162 -7.463 1.00 0.00 O ATOM 829 CB LYS A 57 0.634 10.479 -8.918 1.00 0.00 C ATOM 830 CG LYS A 57 0.002 9.417 -9.805 1.00 0.00 C ATOM 831 CD LYS A 57 1.034 8.752 -10.704 1.00 0.00 C ATOM 832 CE LYS A 57 0.862 7.241 -10.731 1.00 0.00 C ATOM 833 NZ LYS A 57 0.833 6.710 -12.122 1.00 0.00 N ATOM 0 H LYS A 57 1.548 12.765 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.950 11.790 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.576 10.800 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.873 10.038 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.480 8.663 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.777 9.870 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.944 9.147 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.036 8.999 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.678 6.773 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.063 6.972 -10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.714 5.677 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.039 7.137 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.725 6.944 -12.602 1.00 0.00 H new ATOM 847 N MET A 58 -0.442 11.816 -6.283 1.00 0.00 N ATOM 848 CA MET A 58 -1.114 11.698 -4.993 1.00 0.00 C ATOM 849 C MET A 58 -1.578 10.265 -4.753 1.00 0.00 C ATOM 850 O MET A 58 -2.770 9.968 -4.831 1.00 0.00 O ATOM 851 CB MET A 58 -2.310 12.651 -4.935 1.00 0.00 C ATOM 852 CG MET A 58 -2.944 12.750 -3.560 1.00 0.00 C ATOM 853 SD MET A 58 -2.267 14.105 -2.584 1.00 0.00 S ATOM 854 CE MET A 58 -3.050 15.512 -3.368 1.00 0.00 C ATOM 0 H MET A 58 0.528 12.126 -6.228 1.00 0.00 H new ATOM 0 HA MET A 58 -0.404 11.966 -4.211 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.988 13.644 -5.249 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.063 12.319 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.020 12.887 -3.669 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.794 11.812 -3.026 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.814 16.418 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.683 15.610 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.130 15.366 -3.383 1.00 0.00 H new ATOM 864 N MET A 59 -0.630 9.376 -4.471 1.00 0.00 N ATOM 865 CA MET A 59 -0.953 7.973 -4.233 1.00 0.00 C ATOM 866 C MET A 59 0.202 7.243 -3.548 1.00 0.00 C ATOM 867 O MET A 59 1.363 7.619 -3.701 1.00 0.00 O ATOM 868 CB MET A 59 -1.308 7.285 -5.555 1.00 0.00 C ATOM 869 CG MET A 59 -0.557 7.824 -6.763 1.00 0.00 C ATOM 870 SD MET A 59 0.378 6.556 -7.640 1.00 0.00 S ATOM 871 CE MET A 59 2.009 7.299 -7.674 1.00 0.00 C ATOM 0 H MET A 59 0.363 9.600 -4.402 1.00 0.00 H new ATOM 0 HA MET A 59 -1.814 7.933 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.105 6.218 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.379 7.391 -5.730 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.268 8.283 -7.450 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.125 8.610 -6.438 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.760 6.522 -7.814 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.067 8.012 -8.496 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.193 7.816 -6.732 1.00 0.00 H new ATOM 881 N LEU A 60 -0.128 6.197 -2.790 1.00 0.00 N ATOM 882 CA LEU A 60 0.882 5.410 -2.083 1.00 0.00 C ATOM 883 C LEU A 60 0.493 3.932 -2.026 1.00 0.00 C ATOM 884 O LEU A 60 -0.675 3.580 -2.189 1.00 0.00 O ATOM 885 CB LEU A 60 1.087 5.952 -0.666 1.00 0.00 C ATOM 886 CG LEU A 60 -0.197 6.270 0.100 1.00 0.00 C ATOM 887 CD1 LEU A 60 -0.017 5.993 1.584 1.00 0.00 C ATOM 888 CD2 LEU A 60 -0.606 7.717 -0.128 1.00 0.00 C ATOM 0 H LEU A 60 -1.086 5.875 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 60 1.817 5.496 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.661 5.223 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.690 6.858 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.991 5.624 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.942 6.225 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.230 4.942 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.790 6.613 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.522 7.928 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.187 8.378 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.777 7.883 -1.192 1.00 0.00 H new ATOM 900 N ARG A 61 1.483 3.072 -1.789 1.00 0.00 N ATOM 901 CA ARG A 61 1.254 1.630 -1.702 1.00 0.00 C ATOM 902 C ARG A 61 1.989 1.035 -0.506 1.00 0.00 C ATOM 903 O ARG A 61 3.100 1.448 -0.183 1.00 0.00 O ATOM 904 CB ARG A 61 1.702 0.926 -2.988 1.00 0.00 C ATOM 905 CG ARG A 61 3.181 0.568 -3.019 1.00 0.00 C ATOM 906 CD ARG A 61 3.504 -0.357 -4.178 1.00 0.00 C ATOM 907 NE ARG A 61 4.869 -0.171 -4.665 1.00 0.00 N ATOM 908 CZ ARG A 61 5.408 -0.884 -5.651 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.704 -1.831 -6.257 1.00 0.00 N ATOM 910 NH2 ARG A 61 6.657 -0.649 -6.032 1.00 0.00 N ATOM 0 H ARG A 61 2.455 3.350 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 61 0.183 1.473 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.116 0.015 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.477 1.569 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.775 1.478 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.460 0.089 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.369 -1.392 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.801 -0.177 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 61 5.442 0.548 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.744 -2.016 -5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.123 -2.374 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.203 0.078 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.071 -1.195 -6.788 1.00 0.00 H new ATOM 924 N LEU A 62 1.372 0.054 0.134 1.00 0.00 N ATOM 925 CA LEU A 62 1.982 -0.607 1.281 1.00 0.00 C ATOM 926 C LEU A 62 2.513 -1.971 0.889 1.00 0.00 C ATOM 927 O LEU A 62 1.871 -2.726 0.160 1.00 0.00 O ATOM 928 CB LEU A 62 1.003 -0.722 2.453 1.00 0.00 C ATOM 929 CG LEU A 62 -0.266 0.129 2.348 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.401 -0.512 3.131 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.002 1.543 2.846 1.00 0.00 C ATOM 0 H LEU A 62 0.451 -0.303 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 62 2.818 0.009 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.710 -1.767 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.527 -0.447 3.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.560 0.185 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.295 0.105 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.605 -1.504 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.117 -0.597 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.914 2.134 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.316 1.508 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.782 2.001 2.243 1.00 0.00 H new ATOM 943 N ILE A 63 3.712 -2.252 1.364 1.00 0.00 N ATOM 944 CA ILE A 63 4.396 -3.493 1.068 1.00 0.00 C ATOM 945 C ILE A 63 4.040 -4.591 2.069 1.00 0.00 C ATOM 946 O ILE A 63 4.052 -4.368 3.274 1.00 0.00 O ATOM 947 CB ILE A 63 5.915 -3.244 1.080 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.424 -2.972 -0.332 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.648 -4.403 1.709 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.364 -1.509 -0.704 1.00 0.00 C ATOM 0 H ILE A 63 4.240 -1.622 1.968 1.00 0.00 H new ATOM 0 HA ILE A 63 4.077 -3.834 0.083 1.00 0.00 H new ATOM 0 HB ILE A 63 6.112 -2.360 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.453 -3.322 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.832 -3.548 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.719 -4.201 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.308 -4.535 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.448 -5.312 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.739 -1.376 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.332 -1.162 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.978 -0.932 -0.012 1.00 0.00 H new ATOM 962 N GLY A 64 3.751 -5.785 1.558 1.00 0.00 N ATOM 963 CA GLY A 64 3.419 -6.905 2.424 1.00 0.00 C ATOM 964 C GLY A 64 4.655 -7.611 2.954 1.00 0.00 C ATOM 965 O GLY A 64 4.683 -8.837 3.052 1.00 0.00 O ATOM 0 H GLY A 64 3.741 -5.997 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.820 -6.548 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.805 -7.617 1.873 1.00 0.00 H new ATOM 969 N LYS A 65 5.677 -6.823 3.291 1.00 0.00 N ATOM 970 CA LYS A 65 6.948 -7.331 3.809 1.00 0.00 C ATOM 971 C LYS A 65 7.415 -8.578 3.063 1.00 0.00 C ATOM 972 O LYS A 65 6.785 -9.019 2.102 1.00 0.00 O ATOM 973 CB LYS A 65 6.864 -7.601 5.315 1.00 0.00 C ATOM 974 CG LYS A 65 5.586 -8.291 5.764 1.00 0.00 C ATOM 975 CD LYS A 65 5.606 -9.780 5.447 1.00 0.00 C ATOM 976 CE LYS A 65 5.699 -10.618 6.712 1.00 0.00 C ATOM 977 NZ LYS A 65 5.165 -11.993 6.508 1.00 0.00 N ATOM 0 H LYS A 65 5.646 -5.807 3.212 1.00 0.00 H new ATOM 0 HA LYS A 65 7.692 -6.552 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.715 -8.215 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.956 -6.654 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.454 -8.150 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.731 -7.826 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.704 -10.048 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.453 -10.004 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.739 -10.676 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.145 -10.129 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.247 -12.532 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.165 -11.939 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.710 -12.470 5.761 1.00 0.00 H new ATOM 991 N VAL A 66 8.543 -9.129 3.494 1.00 0.00 N ATOM 992 CA VAL A 66 9.103 -10.300 2.858 1.00 0.00 C ATOM 993 C VAL A 66 9.828 -11.185 3.866 1.00 0.00 C ATOM 994 O VAL A 66 10.157 -10.748 4.970 1.00 0.00 O ATOM 995 CB VAL A 66 10.075 -9.894 1.753 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.474 -11.095 0.908 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.476 -8.792 0.889 1.00 0.00 C ATOM 0 H VAL A 66 9.084 -8.778 4.284 1.00 0.00 H new ATOM 0 HA VAL A 66 8.276 -10.865 2.428 1.00 0.00 H new ATOM 0 HB VAL A 66 10.978 -9.504 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.167 -10.777 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.956 -11.841 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.585 -11.528 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.184 -8.517 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.553 -9.149 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.262 -7.921 1.508 1.00 0.00 H new ATOM 1311 N ARG A 86 2.144 -6.692 -2.150 1.00 0.00 N ATOM 1312 CA ARG A 86 1.905 -5.334 -1.680 1.00 0.00 C ATOM 1313 C ARG A 86 0.589 -4.793 -2.238 1.00 0.00 C ATOM 1314 O ARG A 86 0.039 -5.343 -3.192 1.00 0.00 O ATOM 1315 CB ARG A 86 3.075 -4.428 -2.074 1.00 0.00 C ATOM 1316 CG ARG A 86 3.184 -4.164 -3.566 1.00 0.00 C ATOM 1317 CD ARG A 86 3.791 -5.347 -4.305 1.00 0.00 C ATOM 1318 NE ARG A 86 4.874 -4.940 -5.197 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.720 -5.792 -5.773 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.612 -7.096 -5.551 1.00 0.00 N ATOM 1321 NH2 ARG A 86 6.675 -5.338 -6.572 1.00 0.00 N ATOM 0 HA ARG A 86 1.828 -5.349 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.973 -3.475 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.004 -4.882 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.195 -3.951 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.795 -3.277 -3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.169 -6.070 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.015 -5.850 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 86 4.989 -3.945 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.878 -7.450 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.262 -7.744 -5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.762 -4.337 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.323 -5.990 -7.013 1.00 0.00 H new ATOM 1335 N HIS A 87 0.082 -3.721 -1.633 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.175 -3.119 -2.070 1.00 0.00 C ATOM 1337 C HIS A 87 -0.968 -1.672 -2.499 1.00 0.00 C ATOM 1338 O HIS A 87 -0.324 -0.893 -1.798 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.213 -3.184 -0.947 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.263 -4.509 -0.251 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -3.206 -5.475 -0.535 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.478 -5.028 0.723 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -2.999 -6.529 0.235 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.957 -6.283 1.006 1.00 0.00 N ATOM 0 H HIS A 87 0.521 -3.252 -0.841 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.539 -3.685 -2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.993 -2.407 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.197 -2.963 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.633 -4.545 1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.583 -7.437 0.233 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.570 -6.922 1.700 1.00 0.00 H new ATOM 1353 N MET A 88 -1.515 -1.321 -3.659 1.00 0.00 N ATOM 1354 CA MET A 88 -1.386 0.031 -4.188 1.00 0.00 C ATOM 1355 C MET A 88 -2.757 0.664 -4.424 1.00 0.00 C ATOM 1356 O MET A 88 -3.635 0.061 -5.040 1.00 0.00 O ATOM 1357 CB MET A 88 -0.561 0.000 -5.487 1.00 0.00 C ATOM 1358 CG MET A 88 -1.056 0.933 -6.593 1.00 0.00 C ATOM 1359 SD MET A 88 -2.326 0.177 -7.633 1.00 0.00 S ATOM 1360 CE MET A 88 -2.225 1.190 -9.111 1.00 0.00 C ATOM 0 H MET A 88 -2.052 -1.955 -4.250 1.00 0.00 H new ATOM 0 HA MET A 88 -0.867 0.647 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.471 0.259 -5.250 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.554 -1.020 -5.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.455 1.842 -6.143 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.212 1.230 -7.216 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.191 1.658 -9.298 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.468 1.962 -8.972 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.954 0.566 -9.962 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.921 1.890 -3.938 1.00 0.00 N ATOM 1371 CA PHE A 89 -4.171 2.621 -4.103 1.00 0.00 C ATOM 1372 C PHE A 89 -3.890 4.113 -4.276 1.00 0.00 C ATOM 1373 O PHE A 89 -2.919 4.637 -3.732 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.118 2.362 -2.923 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.629 2.856 -1.591 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.402 2.456 -1.085 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.415 3.710 -0.836 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.970 2.902 0.150 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.989 4.161 0.397 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.764 3.756 0.892 1.00 0.00 C ATOM 0 H PHE A 89 -2.201 2.399 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.669 2.262 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.077 2.833 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.298 1.289 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.778 1.789 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.374 4.028 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.013 2.583 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.612 4.829 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.428 4.106 1.857 1.00 0.00 H new ATOM 1390 N SER A 90 -4.724 4.783 -5.068 1.00 0.00 N ATOM 1391 CA SER A 90 -4.540 6.206 -5.346 1.00 0.00 C ATOM 1392 C SER A 90 -5.312 7.091 -4.373 1.00 0.00 C ATOM 1393 O SER A 90 -6.410 6.749 -3.940 1.00 0.00 O ATOM 1394 CB SER A 90 -4.971 6.519 -6.780 1.00 0.00 C ATOM 1395 OG SER A 90 -4.676 5.439 -7.649 1.00 0.00 O ATOM 0 H SER A 90 -5.533 4.365 -5.528 1.00 0.00 H new ATOM 0 HA SER A 90 -3.480 6.425 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.041 6.727 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.463 7.419 -7.128 1.00 0.00 H new ATOM 0 HG SER A 90 -4.963 5.663 -8.559 1.00 0.00 H new ATOM 1401 N PHE A 91 -4.724 8.239 -4.046 1.00 0.00 N ATOM 1402 CA PHE A 91 -5.342 9.193 -3.131 1.00 0.00 C ATOM 1403 C PHE A 91 -5.903 10.390 -3.893 1.00 0.00 C ATOM 1404 O PHE A 91 -5.662 10.544 -5.090 1.00 0.00 O ATOM 1405 CB PHE A 91 -4.324 9.673 -2.097 1.00 0.00 C ATOM 1406 CG PHE A 91 -4.030 8.659 -1.032 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -3.570 7.398 -1.368 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -4.217 8.968 0.305 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -3.300 6.462 -0.390 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -3.949 8.036 1.288 1.00 0.00 C ATOM 1411 CZ PHE A 91 -3.490 6.781 0.941 1.00 0.00 C ATOM 0 H PHE A 91 -3.815 8.532 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.162 8.688 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.396 9.933 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.696 10.584 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.421 7.143 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.576 9.948 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.941 5.481 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.098 8.289 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.280 6.050 1.708 1.00 0.00 H new ATOM 1421 N ASN A 92 -6.650 11.236 -3.191 1.00 0.00 N ATOM 1422 CA ASN A 92 -7.242 12.419 -3.803 1.00 0.00 C ATOM 1423 C ASN A 92 -7.231 13.601 -2.837 1.00 0.00 C ATOM 1424 O ASN A 92 -8.210 14.340 -2.733 1.00 0.00 O ATOM 1425 CB ASN A 92 -8.674 12.123 -4.254 1.00 0.00 C ATOM 1426 CG ASN A 92 -8.735 11.036 -5.309 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.110 11.143 -6.364 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.491 9.980 -5.030 1.00 0.00 N ATOM 0 H ASN A 92 -6.859 11.124 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.642 12.684 -4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.269 11.822 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.123 13.034 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.570 9.217 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.992 9.932 -4.143 1.00 0.00 H new ATOM 1435 N ASN A 93 -6.116 13.777 -2.133 1.00 0.00 N ATOM 1436 CA ASN A 93 -5.978 14.872 -1.178 1.00 0.00 C ATOM 1437 C ASN A 93 -4.580 14.890 -0.565 1.00 0.00 C ATOM 1438 O ASN A 93 -4.027 13.845 -0.223 1.00 0.00 O ATOM 1439 CB ASN A 93 -7.034 14.753 -0.077 1.00 0.00 C ATOM 1440 CG ASN A 93 -8.195 15.707 -0.285 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -8.122 16.623 -1.105 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -9.275 15.496 0.458 1.00 0.00 N ATOM 0 H ASN A 93 -5.295 13.176 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.129 15.809 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.409 13.730 -0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.572 14.953 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.087 16.105 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.292 14.725 1.125 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.014 16.086 -0.435 1.00 0.00 N ATOM 1450 CA ARG A 94 -2.678 16.247 0.130 1.00 0.00 C ATOM 1451 C ARG A 94 -2.650 15.860 1.606 1.00 0.00 C ATOM 1452 O ARG A 94 -1.738 15.168 2.058 1.00 0.00 O ATOM 1453 CB ARG A 94 -2.204 17.692 -0.037 1.00 0.00 C ATOM 1454 CG ARG A 94 -0.692 17.835 -0.088 1.00 0.00 C ATOM 1455 CD ARG A 94 -0.279 19.222 -0.554 1.00 0.00 C ATOM 1456 NE ARG A 94 0.896 19.713 0.162 1.00 0.00 N ATOM 1457 CZ ARG A 94 2.137 19.293 -0.074 1.00 0.00 C ATOM 1458 NH1 ARG A 94 2.369 18.375 -1.003 1.00 0.00 N ATOM 1459 NH2 ARG A 94 3.149 19.793 0.622 1.00 0.00 N ATOM 0 H ARG A 94 -4.461 16.960 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.005 15.581 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.630 18.102 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.589 18.290 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.274 17.642 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.277 17.085 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.068 19.197 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.108 19.915 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 94 0.757 20.419 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.594 17.987 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.322 18.057 -1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.976 20.499 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.100 19.472 0.442 1.00 0.00 H new ATOM 1473 N THR A 95 -3.647 16.318 2.354 1.00 0.00 N ATOM 1474 CA THR A 95 -3.728 16.026 3.778 1.00 0.00 C ATOM 1475 C THR A 95 -4.173 14.589 4.022 1.00 0.00 C ATOM 1476 O THR A 95 -3.760 13.959 4.995 1.00 0.00 O ATOM 1477 CB THR A 95 -4.693 16.994 4.463 1.00 0.00 C ATOM 1478 OG1 THR A 95 -4.503 18.314 3.985 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.542 17.025 5.969 1.00 0.00 C ATOM 0 H THR A 95 -4.410 16.893 1.997 1.00 0.00 H new ATOM 0 HA THR A 95 -2.732 16.151 4.203 1.00 0.00 H new ATOM 0 HB THR A 95 -5.690 16.626 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.131 18.918 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.256 17.732 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.732 16.031 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.529 17.334 6.227 1.00 0.00 H new ATOM 1487 N VAL A 96 -5.018 14.074 3.137 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.515 12.710 3.263 1.00 0.00 C ATOM 1489 C VAL A 96 -4.364 11.707 3.253 1.00 0.00 C ATOM 1490 O VAL A 96 -4.281 10.835 4.118 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.508 12.370 2.129 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.776 10.871 2.058 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.807 13.139 2.318 1.00 0.00 C ATOM 0 H VAL A 96 -5.373 14.580 2.325 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.037 12.642 4.217 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.057 12.670 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.478 10.665 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.841 10.343 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.200 10.532 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.498 12.890 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.254 12.869 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.602 14.209 2.302 1.00 0.00 H new ATOM 1503 N MET A 97 -3.484 11.831 2.267 1.00 0.00 N ATOM 1504 CA MET A 97 -2.346 10.929 2.148 1.00 0.00 C ATOM 1505 C MET A 97 -1.337 11.172 3.265 1.00 0.00 C ATOM 1506 O MET A 97 -0.803 10.227 3.843 1.00 0.00 O ATOM 1507 CB MET A 97 -1.672 11.096 0.785 1.00 0.00 C ATOM 1508 CG MET A 97 -1.178 12.507 0.517 1.00 0.00 C ATOM 1509 SD MET A 97 0.536 12.752 1.021 1.00 0.00 S ATOM 1510 CE MET A 97 1.392 11.746 -0.188 1.00 0.00 C ATOM 0 H MET A 97 -3.536 12.545 1.541 1.00 0.00 H new ATOM 0 HA MET A 97 -2.716 9.907 2.236 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.830 10.407 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 97 -2.377 10.813 0.004 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.274 12.725 -0.547 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.813 13.217 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.416 12.103 -0.299 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.404 10.708 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.878 11.813 -1.147 1.00 0.00 H new ATOM 1520 N ASP A 98 -1.079 12.440 3.562 1.00 0.00 N ATOM 1521 CA ASP A 98 -0.129 12.797 4.609 1.00 0.00 C ATOM 1522 C ASP A 98 -0.647 12.403 5.987 1.00 0.00 C ATOM 1523 O ASP A 98 0.108 11.901 6.818 1.00 0.00 O ATOM 1524 CB ASP A 98 0.166 14.298 4.571 1.00 0.00 C ATOM 1525 CG ASP A 98 1.570 14.623 5.040 1.00 0.00 C ATOM 1526 OD1 ASP A 98 2.164 13.791 5.758 1.00 0.00 O ATOM 1527 OD2 ASP A 98 2.077 15.709 4.689 1.00 0.00 O ATOM 0 H ASP A 98 -1.513 13.236 3.094 1.00 0.00 H new ATOM 0 HA ASP A 98 0.793 12.246 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.031 14.666 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.554 14.823 5.198 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.934 12.635 6.230 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.530 12.303 7.519 1.00 0.00 C ATOM 1534 C ASN A 99 -2.354 10.821 7.830 1.00 0.00 C ATOM 1535 O ASN A 99 -1.887 10.456 8.909 1.00 0.00 O ATOM 1536 CB ASN A 99 -4.015 12.665 7.526 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.248 14.147 7.749 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.315 14.897 8.036 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.497 14.576 7.618 1.00 0.00 N ATOM 0 H ASN A 99 -2.579 13.048 5.557 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.020 12.882 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.463 12.368 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.520 12.099 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.714 15.563 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.240 13.919 7.379 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.711 9.968 6.876 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.564 8.535 7.058 1.00 0.00 C ATOM 1548 C ILE A 100 -1.103 8.122 6.922 1.00 0.00 C ATOM 1549 O ILE A 100 -0.621 7.267 7.664 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.428 7.727 6.070 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.908 7.857 6.438 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.993 6.268 6.051 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.818 6.978 5.610 1.00 0.00 C ATOM 0 H ILE A 100 -3.102 10.245 5.975 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.913 8.309 8.066 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.289 8.130 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.035 7.607 7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.213 8.896 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.614 5.712 5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.949 6.203 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.104 5.842 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.851 7.123 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.721 7.243 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.539 5.933 5.748 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.397 8.732 5.968 1.00 0.00 N ATOM 1566 CA LYS A 101 1.009 8.412 5.752 1.00 0.00 C ATOM 1567 C LYS A 101 1.776 8.571 7.050 1.00 0.00 C ATOM 1568 O LYS A 101 2.493 7.669 7.476 1.00 0.00 O ATOM 1569 CB LYS A 101 1.611 9.304 4.659 1.00 0.00 C ATOM 1570 CG LYS A 101 3.120 9.171 4.520 1.00 0.00 C ATOM 1571 CD LYS A 101 3.682 10.195 3.547 1.00 0.00 C ATOM 1572 CE LYS A 101 3.756 11.577 4.175 1.00 0.00 C ATOM 1573 NZ LYS A 101 4.364 12.575 3.253 1.00 0.00 N ATOM 0 H LYS A 101 -0.774 9.442 5.340 1.00 0.00 H new ATOM 0 HA LYS A 101 1.084 7.377 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.145 9.058 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.366 10.344 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.589 9.299 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.368 8.167 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.677 9.886 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.057 10.232 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.754 11.903 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.341 11.527 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.396 13.504 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.330 12.277 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.792 12.642 2.387 1.00 0.00 H new ATOM 1587 N MET A 102 1.588 9.714 7.685 1.00 0.00 N ATOM 1588 CA MET A 102 2.237 9.991 8.960 1.00 0.00 C ATOM 1589 C MET A 102 1.814 8.952 9.989 1.00 0.00 C ATOM 1590 O MET A 102 2.597 8.554 10.852 1.00 0.00 O ATOM 1591 CB MET A 102 1.885 11.398 9.451 1.00 0.00 C ATOM 1592 CG MET A 102 0.429 11.577 9.855 1.00 0.00 C ATOM 1593 SD MET A 102 0.197 12.935 11.018 1.00 0.00 S ATOM 1594 CE MET A 102 -0.032 14.309 9.891 1.00 0.00 C ATOM 0 H MET A 102 0.992 10.467 7.341 1.00 0.00 H new ATOM 0 HA MET A 102 3.317 9.939 8.822 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.519 11.641 10.304 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.122 12.114 8.664 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.172 11.759 8.964 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.063 10.653 10.303 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.413 15.208 10.318 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.449 14.083 8.939 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.097 14.473 9.729 1.00 0.00 H new ATOM 1604 N THR A 103 0.567 8.510 9.874 1.00 0.00 N ATOM 1605 CA THR A 103 0.018 7.511 10.768 1.00 0.00 C ATOM 1606 C THR A 103 0.703 6.170 10.533 1.00 0.00 C ATOM 1607 O THR A 103 1.214 5.549 11.463 1.00 0.00 O ATOM 1608 CB THR A 103 -1.495 7.389 10.534 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.214 8.168 11.474 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.016 5.976 10.618 1.00 0.00 C ATOM 0 H THR A 103 -0.085 8.835 9.160 1.00 0.00 H new ATOM 0 HA THR A 103 0.193 7.813 11.801 1.00 0.00 H new ATOM 0 HB THR A 103 -1.649 7.748 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.175 8.078 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.092 5.974 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.523 5.361 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.810 5.571 11.609 1.00 0.00 H new ATOM 1618 N LEU A 104 0.706 5.738 9.276 1.00 0.00 N ATOM 1619 CA LEU A 104 1.319 4.474 8.897 1.00 0.00 C ATOM 1620 C LEU A 104 2.819 4.503 9.126 1.00 0.00 C ATOM 1621 O LEU A 104 3.423 3.493 9.482 1.00 0.00 O ATOM 1622 CB LEU A 104 1.007 4.152 7.434 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.258 3.314 7.213 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.143 3.936 6.138 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.112 1.884 6.843 1.00 0.00 C ATOM 0 H LEU A 104 0.287 6.250 8.499 1.00 0.00 H new ATOM 0 HA LEU A 104 0.899 3.690 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.906 5.088 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.857 3.621 7.005 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.823 3.296 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.034 3.323 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.437 4.940 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.591 3.991 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.796 1.301 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.701 1.886 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.696 1.439 7.649 1.00 0.00 H new ATOM 1637 N GLN A 105 3.412 5.663 8.921 1.00 0.00 N ATOM 1638 CA GLN A 105 4.839 5.831 9.103 1.00 0.00 C ATOM 1639 C GLN A 105 5.233 5.589 10.558 1.00 0.00 C ATOM 1640 O GLN A 105 6.336 5.121 10.842 1.00 0.00 O ATOM 1641 CB GLN A 105 5.233 7.237 8.651 1.00 0.00 C ATOM 1642 CG GLN A 105 6.003 8.046 9.683 1.00 0.00 C ATOM 1643 CD GLN A 105 6.567 9.333 9.115 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.631 9.339 8.495 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.854 10.434 9.323 1.00 0.00 N ATOM 0 H GLN A 105 2.923 6.508 8.626 1.00 0.00 H new ATOM 0 HA GLN A 105 5.373 5.097 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.838 7.157 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.329 7.784 8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.345 8.281 10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.818 7.440 10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.978 10.383 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.183 11.330 8.963 1.00 0.00 H new ATOM 1654 N GLN A 106 4.329 5.909 11.479 1.00 0.00 N ATOM 1655 CA GLN A 106 4.599 5.716 12.892 1.00 0.00 C ATOM 1656 C GLN A 106 4.433 4.257 13.271 1.00 0.00 C ATOM 1657 O GLN A 106 5.227 3.703 14.030 1.00 0.00 O ATOM 1658 CB GLN A 106 3.683 6.596 13.744 1.00 0.00 C ATOM 1659 CG GLN A 106 4.356 7.145 14.992 1.00 0.00 C ATOM 1660 CD GLN A 106 4.937 6.052 15.869 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.049 5.579 15.635 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.185 5.646 16.884 1.00 0.00 N ATOM 0 H GLN A 106 3.410 6.300 11.270 1.00 0.00 H new ATOM 0 HA GLN A 106 5.631 6.009 13.084 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.326 7.428 13.138 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.807 6.017 14.038 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.150 7.832 14.700 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.632 7.721 15.568 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.269 6.067 17.040 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.523 4.913 17.508 1.00 0.00 H new ATOM 1671 N ILE A 107 3.398 3.639 12.726 1.00 0.00 N ATOM 1672 CA ILE A 107 3.124 2.244 12.989 1.00 0.00 C ATOM 1673 C ILE A 107 4.171 1.385 12.299 1.00 0.00 C ATOM 1674 O ILE A 107 4.755 0.489 12.905 1.00 0.00 O ATOM 1675 CB ILE A 107 1.718 1.846 12.510 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.773 3.053 12.576 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.191 0.684 13.343 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.645 2.725 12.985 1.00 0.00 C ATOM 0 H ILE A 107 2.733 4.088 12.096 1.00 0.00 H new ATOM 0 HA ILE A 107 3.165 2.084 14.066 1.00 0.00 H new ATOM 0 HB ILE A 107 1.773 1.520 11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.181 3.778 13.280 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.752 3.535 11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.195 0.410 12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.859 -0.171 13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.141 0.981 14.391 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.239 3.639 13.004 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.078 2.026 12.269 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.642 2.273 13.977 1.00 0.00 H new ATOM 1690 N ILE A 108 4.435 1.700 11.032 1.00 0.00 N ATOM 1691 CA ILE A 108 5.449 0.989 10.268 1.00 0.00 C ATOM 1692 C ILE A 108 6.775 1.105 10.989 1.00 0.00 C ATOM 1693 O ILE A 108 7.531 0.141 11.109 1.00 0.00 O ATOM 1694 CB ILE A 108 5.568 1.549 8.834 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.028 0.453 7.873 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.507 2.747 8.772 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.447 -0.008 8.123 1.00 0.00 C ATOM 0 H ILE A 108 3.960 2.442 10.517 1.00 0.00 H new ATOM 0 HA ILE A 108 5.160 -0.059 10.186 1.00 0.00 H new ATOM 0 HB ILE A 108 4.580 1.894 8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.356 -0.401 7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.948 0.820 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.564 3.112 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.129 3.539 9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.500 2.448 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.708 -0.786 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.129 0.835 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.528 -0.405 9.135 1.00 0.00 H new ATOM 1709 N SER A 109 7.019 2.300 11.501 1.00 0.00 N ATOM 1710 CA SER A 109 8.227 2.571 12.261 1.00 0.00 C ATOM 1711 C SER A 109 8.208 1.742 13.538 1.00 0.00 C ATOM 1712 O SER A 109 9.241 1.258 14.001 1.00 0.00 O ATOM 1713 CB SER A 109 8.329 4.060 12.597 1.00 0.00 C ATOM 1714 OG SER A 109 8.929 4.783 11.536 1.00 0.00 O ATOM 0 H SER A 109 6.394 3.100 11.403 1.00 0.00 H new ATOM 0 HA SER A 109 9.097 2.300 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.335 4.460 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.914 4.191 13.507 1.00 0.00 H new ATOM 0 HG SER A 109 8.231 5.150 10.954 1.00 0.00 H new ATOM 1720 N ARG A 110 7.009 1.577 14.093 1.00 0.00 N ATOM 1721 CA ARG A 110 6.818 0.803 15.309 1.00 0.00 C ATOM 1722 C ARG A 110 7.062 -0.681 15.040 1.00 0.00 C ATOM 1723 O ARG A 110 7.873 -1.319 15.712 1.00 0.00 O ATOM 1724 CB ARG A 110 5.398 1.046 15.847 1.00 0.00 C ATOM 1725 CG ARG A 110 4.584 -0.212 16.121 1.00 0.00 C ATOM 1726 CD ARG A 110 3.460 0.059 17.109 1.00 0.00 C ATOM 1727 NE ARG A 110 2.447 0.953 16.555 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.569 1.629 17.294 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.577 1.514 18.616 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.682 2.421 16.709 1.00 0.00 N ATOM 0 H ARG A 110 6.150 1.975 13.712 1.00 0.00 H new ATOM 0 HA ARG A 110 7.537 1.123 16.063 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.470 1.621 16.770 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.855 1.661 15.130 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.167 -0.588 15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.237 -0.991 16.515 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.994 -0.884 17.395 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.874 0.498 18.017 1.00 0.00 H new ATOM 0 HE ARG A 110 2.410 1.067 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.258 0.906 19.071 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.902 2.034 19.177 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.672 2.513 15.693 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.009 2.939 17.275 1.00 0.00 H new ATOM 1744 N TYR A 111 6.353 -1.222 14.054 1.00 0.00 N ATOM 1745 CA TYR A 111 6.495 -2.632 13.699 1.00 0.00 C ATOM 1746 C TYR A 111 7.946 -2.970 13.364 1.00 0.00 C ATOM 1747 O TYR A 111 8.365 -4.123 13.472 1.00 0.00 O ATOM 1748 CB TYR A 111 5.591 -2.983 12.515 1.00 0.00 C ATOM 1749 CG TYR A 111 4.175 -3.326 12.917 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.219 -2.332 13.080 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.796 -4.644 13.134 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.925 -2.641 13.449 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.504 -4.963 13.502 1.00 0.00 C ATOM 1754 CZ TYR A 111 1.572 -3.959 13.658 1.00 0.00 C ATOM 1755 OH TYR A 111 0.285 -4.277 14.025 1.00 0.00 O ATOM 0 H TYR A 111 5.677 -0.709 13.488 1.00 0.00 H new ATOM 0 HA TYR A 111 6.193 -3.224 14.563 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.570 -2.141 11.823 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.022 -3.827 11.977 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.492 -1.300 12.915 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.524 -5.433 13.013 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.193 -1.856 13.573 1.00 0.00 H new ATOM 0 HE2 TYR A 111 2.225 -5.993 13.667 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.341 -3.664 13.587 1.00 0.00 H new ATOM 1765 N LYS A 112 8.710 -1.958 12.962 1.00 0.00 N ATOM 1766 CA LYS A 112 10.114 -2.152 12.618 1.00 0.00 C ATOM 1767 C LYS A 112 10.951 -2.394 13.869 1.00 0.00 C ATOM 1768 O LYS A 112 11.918 -3.155 13.844 1.00 0.00 O ATOM 1769 CB LYS A 112 10.648 -0.935 11.861 1.00 0.00 C ATOM 1770 CG LYS A 112 10.029 -0.754 10.485 1.00 0.00 C ATOM 1771 CD LYS A 112 10.976 -1.204 9.383 1.00 0.00 C ATOM 1772 CE LYS A 112 10.664 -0.514 8.064 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.166 -1.474 7.040 1.00 0.00 N ATOM 0 H LYS A 112 8.381 -0.997 12.867 1.00 0.00 H new ATOM 0 HA LYS A 112 10.188 -3.031 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.463 -0.039 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.729 -1.029 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.102 -1.324 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.769 0.294 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.004 -0.987 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.902 -2.284 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.916 0.262 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.561 -0.019 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.869 -0.953 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.925 -2.140 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.356 -2.001 7.423 1.00 0.00 H new ATOM 1787 N ASP A 113 10.572 -1.741 14.964 1.00 0.00 N ATOM 1788 CA ASP A 113 11.288 -1.885 16.226 1.00 0.00 C ATOM 1789 C ASP A 113 10.975 -3.228 16.879 1.00 0.00 C ATOM 1790 O ASP A 113 11.829 -3.824 17.535 1.00 0.00 O ATOM 1791 CB ASP A 113 10.922 -0.745 17.177 1.00 0.00 C ATOM 1792 CG ASP A 113 11.517 0.581 16.746 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.706 0.822 17.041 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.794 1.379 16.112 1.00 0.00 O ATOM 0 H ASP A 113 9.773 -1.108 15.002 1.00 0.00 H new ATOM 0 HA ASP A 113 12.357 -1.844 16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.837 -0.653 17.229 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.270 -0.987 18.181 1.00 0.00 H new ATOM 1799 N ALA A 114 9.745 -3.698 16.695 1.00 0.00 N ATOM 1800 CA ALA A 114 9.320 -4.969 17.267 1.00 0.00 C ATOM 1801 C ALA A 114 10.174 -6.119 16.744 1.00 0.00 C ATOM 1802 O ALA A 114 10.705 -6.913 17.520 1.00 0.00 O ATOM 1803 CB ALA A 114 7.851 -5.220 16.961 1.00 0.00 C ATOM 0 H ALA A 114 9.026 -3.217 16.154 1.00 0.00 H new ATOM 0 HA ALA A 114 9.451 -4.915 18.348 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.547 -6.173 17.394 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.248 -4.418 17.388 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.704 -5.249 15.881 1.00 0.00 H new ATOM 1809 N ASP A 115 10.302 -6.202 15.424 1.00 0.00 N ATOM 1810 CA ASP A 115 11.092 -7.255 14.797 1.00 0.00 C ATOM 1811 C ASP A 115 12.571 -7.103 15.139 1.00 0.00 C ATOM 1812 O ASP A 115 13.213 -6.185 14.588 1.00 0.00 O ATOM 1813 CB ASP A 115 10.903 -7.230 13.280 1.00 0.00 C ATOM 1814 CG ASP A 115 9.689 -8.023 12.835 1.00 0.00 C ATOM 1815 OD1 ASP A 115 8.579 -7.450 12.819 1.00 0.00 O ATOM 1816 OD2 ASP A 115 9.849 -9.216 12.502 1.00 0.00 O ATOM 1817 OXT ASP A 115 13.074 -7.903 15.957 1.00 0.00 O ATOM 0 H ASP A 115 9.869 -5.552 14.768 1.00 0.00 H new ATOM 0 HA ASP A 115 10.744 -8.213 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.801 -6.197 12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.794 -7.634 12.799 1.00 0.00 H new ATOM 2088 N PHE B 475 3.147 2.741 -11.788 1.00 0.00 N ATOM 2089 CA PHE B 475 3.006 3.372 -10.488 1.00 0.00 C ATOM 2090 C PHE B 475 4.181 3.000 -9.599 1.00 0.00 C ATOM 2091 O PHE B 475 4.592 3.784 -8.744 1.00 0.00 O ATOM 2092 CB PHE B 475 1.660 3.012 -9.829 1.00 0.00 C ATOM 2093 CG PHE B 475 1.587 1.659 -9.165 1.00 0.00 C ATOM 2094 CD1 PHE B 475 2.474 1.278 -8.168 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.602 0.770 -9.542 1.00 0.00 C ATOM 2096 CE1 PHE B 475 2.375 0.036 -7.571 1.00 0.00 C ATOM 2097 CE2 PHE B 475 0.495 -0.471 -8.948 1.00 0.00 C ATOM 2098 CZ PHE B 475 1.384 -0.840 -7.963 1.00 0.00 C ATOM 0 HA PHE B 475 3.010 4.453 -10.627 1.00 0.00 H new ATOM 0 HB2 PHE B 475 1.429 3.773 -9.084 1.00 0.00 H new ATOM 0 HB3 PHE B 475 0.881 3.063 -10.590 1.00 0.00 H new ATOM 0 HD1 PHE B 475 3.251 1.960 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -0.098 1.050 -10.316 1.00 0.00 H new ATOM 0 HE1 PHE B 475 3.073 -0.249 -6.798 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.285 -1.152 -9.255 1.00 0.00 H new ATOM 0 HZ PHE B 475 1.306 -1.812 -7.499 1.00 0.00 H new ATOM 2108 N GLU B 476 4.718 1.798 -9.805 1.00 0.00 N ATOM 2109 CA GLU B 476 5.844 1.327 -9.011 1.00 0.00 C ATOM 2110 C GLU B 476 7.045 2.246 -9.143 1.00 0.00 C ATOM 2111 O GLU B 476 7.807 2.417 -8.192 1.00 0.00 O ATOM 2112 CB GLU B 476 6.227 -0.094 -9.392 1.00 0.00 C ATOM 2113 CG GLU B 476 5.042 -1.037 -9.470 1.00 0.00 C ATOM 2114 CD GLU B 476 5.455 -2.496 -9.462 1.00 0.00 C ATOM 2115 OE1 GLU B 476 6.310 -2.866 -8.631 1.00 0.00 O ATOM 2116 OE2 GLU B 476 4.923 -3.267 -10.288 1.00 0.00 O ATOM 0 H GLU B 476 4.391 1.139 -10.511 1.00 0.00 H new ATOM 0 HA GLU B 476 5.525 1.334 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU B 476 6.734 -0.079 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.940 -0.478 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU B 476 4.376 -0.847 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU B 476 4.476 -0.829 -10.378 1.00 0.00 H new ATOM 2123 N GLN B 477 7.207 2.857 -10.308 1.00 0.00 N ATOM 2124 CA GLN B 477 8.321 3.777 -10.513 1.00 0.00 C ATOM 2125 C GLN B 477 8.232 4.911 -9.507 1.00 0.00 C ATOM 2126 O GLN B 477 9.198 5.214 -8.808 1.00 0.00 O ATOM 2127 CB GLN B 477 8.329 4.322 -11.943 1.00 0.00 C ATOM 2128 CG GLN B 477 9.170 3.497 -12.903 1.00 0.00 C ATOM 2129 CD GLN B 477 9.519 4.253 -14.170 1.00 0.00 C ATOM 2130 OE1 GLN B 477 8.695 4.986 -14.716 1.00 0.00 O ATOM 2131 NE2 GLN B 477 10.747 4.078 -14.644 1.00 0.00 N ATOM 0 H GLN B 477 6.594 2.737 -11.114 1.00 0.00 H new ATOM 0 HA GLN B 477 9.256 3.236 -10.363 1.00 0.00 H new ATOM 0 HB2 GLN B 477 7.305 4.363 -12.313 1.00 0.00 H new ATOM 0 HB3 GLN B 477 8.705 5.345 -11.931 1.00 0.00 H new ATOM 0 HG2 GLN B 477 10.089 3.189 -12.403 1.00 0.00 H new ATOM 0 HG3 GLN B 477 8.629 2.587 -13.164 1.00 0.00 H new ATOM 0 HE21 GLN B 477 11.398 3.461 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN B 477 11.039 4.561 -15.493 1.00 0.00 H new ATOM 2140 N MET B 478 7.049 5.498 -9.401 1.00 0.00 N ATOM 2141 CA MET B 478 6.820 6.554 -8.432 1.00 0.00 C ATOM 2142 C MET B 478 6.503 5.924 -7.077 1.00 0.00 C ATOM 2143 O MET B 478 6.318 6.620 -6.078 1.00 0.00 O ATOM 2144 CB MET B 478 5.672 7.459 -8.881 1.00 0.00 C ATOM 2145 CG MET B 478 6.073 8.463 -9.951 1.00 0.00 C ATOM 2146 SD MET B 478 4.655 9.296 -10.689 1.00 0.00 S ATOM 2147 CE MET B 478 3.964 10.122 -9.258 1.00 0.00 C ATOM 0 H MET B 478 6.238 5.261 -9.972 1.00 0.00 H new ATOM 0 HA MET B 478 7.717 7.168 -8.349 1.00 0.00 H new ATOM 0 HB2 MET B 478 4.859 6.840 -9.261 1.00 0.00 H new ATOM 0 HB3 MET B 478 5.285 7.997 -8.016 1.00 0.00 H new ATOM 0 HG2 MET B 478 6.739 9.207 -9.514 1.00 0.00 H new ATOM 0 HG3 MET B 478 6.635 7.951 -10.732 1.00 0.00 H new ATOM 0 HE1 MET B 478 3.439 11.022 -9.576 1.00 0.00 H new ATOM 0 HE2 MET B 478 3.266 9.454 -8.754 1.00 0.00 H new ATOM 0 HE3 MET B 478 4.766 10.393 -8.572 1.00 0.00 H new ATOM 2157 N PHE B 479 6.442 4.588 -7.065 1.00 0.00 N ATOM 2158 CA PHE B 479 6.148 3.832 -5.859 1.00 0.00 C ATOM 2159 C PHE B 479 7.353 3.026 -5.390 1.00 0.00 C ATOM 2160 O PHE B 479 7.210 2.108 -4.582 1.00 0.00 O ATOM 2161 CB PHE B 479 4.961 2.896 -6.096 1.00 0.00 C ATOM 2162 CG PHE B 479 3.632 3.532 -5.791 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.516 4.909 -5.670 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.502 2.755 -5.616 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.304 5.493 -5.378 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.282 3.337 -5.326 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.185 4.707 -5.206 1.00 0.00 C ATOM 0 H PHE B 479 6.595 4.009 -7.891 1.00 0.00 H new ATOM 0 HA PHE B 479 5.897 4.549 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.969 2.567 -7.135 1.00 0.00 H new ATOM 0 HB3 PHE B 479 5.080 2.006 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.388 5.531 -5.807 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.573 1.681 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE B 479 2.230 6.566 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.406 2.719 -5.194 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.233 5.164 -4.978 1.00 0.00 H new ATOM 2177 N THR B 480 8.541 3.369 -5.880 1.00 0.00 N ATOM 2178 CA THR B 480 9.742 2.665 -5.477 1.00 0.00 C ATOM 2179 C THR B 480 10.718 3.632 -4.817 1.00 0.00 C ATOM 2180 O THR B 480 11.381 4.426 -5.485 1.00 0.00 O ATOM 2181 CB THR B 480 10.399 1.984 -6.681 1.00 0.00 C ATOM 2182 OG1 THR B 480 9.549 0.986 -7.216 1.00 0.00 O ATOM 2183 CG2 THR B 480 11.724 1.328 -6.354 1.00 0.00 C ATOM 0 H THR B 480 8.692 4.123 -6.550 1.00 0.00 H new ATOM 0 HA THR B 480 9.467 1.894 -4.757 1.00 0.00 H new ATOM 0 HB THR B 480 10.577 2.783 -7.401 1.00 0.00 H new ATOM 0 HG1 THR B 480 8.997 1.373 -7.927 1.00 0.00 H new ATOM 0 HG21 THR B 480 12.133 0.865 -7.252 1.00 0.00 H new ATOM 0 HG22 THR B 480 12.421 2.080 -5.984 1.00 0.00 H new ATOM 0 HG23 THR B 480 11.574 0.566 -5.590 1.00 0.00 H new ATOM 2191 N ASP B 481 10.783 3.555 -3.489 1.00 0.00 N ATOM 2192 CA ASP B 481 11.657 4.414 -2.696 1.00 0.00 C ATOM 2193 C ASP B 481 11.584 5.865 -3.166 1.00 0.00 C ATOM 2194 O ASP B 481 12.484 6.354 -3.848 1.00 0.00 O ATOM 2195 CB ASP B 481 13.100 3.913 -2.763 1.00 0.00 C ATOM 2196 CG ASP B 481 13.923 4.358 -1.570 1.00 0.00 C ATOM 2197 OD1 ASP B 481 13.833 3.705 -0.510 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.657 5.361 -1.696 1.00 0.00 O ATOM 0 H ASP B 481 10.233 2.898 -2.935 1.00 0.00 H new ATOM 0 HA ASP B 481 11.314 4.375 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP B 481 13.101 2.824 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.566 4.277 -3.679 1.00 0.00 H new ATOM 2203 N ALA B 482 10.505 6.548 -2.795 1.00 0.00 N ATOM 2204 CA ALA B 482 10.313 7.942 -3.176 1.00 0.00 C ATOM 2205 C ALA B 482 10.404 8.859 -1.961 1.00 0.00 C ATOM 2206 O ALA B 482 10.910 9.977 -2.052 1.00 0.00 O ATOM 2207 CB ALA B 482 8.973 8.118 -3.874 1.00 0.00 C ATOM 0 H ALA B 482 9.750 6.158 -2.231 1.00 0.00 H new ATOM 0 HA ALA B 482 11.109 8.218 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA B 482 8.843 9.164 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA B 482 8.945 7.497 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA B 482 8.170 7.819 -3.200 1.00 0.00 H new