USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 90 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.3!) USER MOD Set 1.2: A 94 SER OG : rot 130:sc= 0.0222 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -160:sc= -2.29! (180deg=-3.27!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -2.16! (180deg=-5.13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.0763 (180deg=-0.547) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.6!) USER MOD Single : A 32 SER OG : rot -39:sc= -0.623 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -1.39 (180deg=-1.43) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -9:sc= 0.111 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -130:sc= 0 (180deg=-0.106) USER MOD Single : A 83 CYS SG : rot -150:sc= -0.9 USER MOD Single : A 84 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 85 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.6!) USER MOD Single : A 87 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.0097) USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.0459 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 67:sc= 0.365 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -81:sc= 0.915 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.982 K(o=-0.98,f=-6.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 0.730 -20.458 -0.342 1.00 0.00 N ATOM 2 CA LYS A 11 0.952 -19.209 -1.072 1.00 0.00 C ATOM 3 C LYS A 11 0.980 -18.014 -0.118 1.00 0.00 C ATOM 4 O LYS A 11 1.703 -17.043 -0.350 1.00 0.00 O ATOM 5 CB LYS A 11 -0.137 -19.004 -2.128 1.00 0.00 C ATOM 6 CG LYS A 11 0.032 -19.882 -3.358 1.00 0.00 C ATOM 7 CD LYS A 11 -1.201 -19.838 -4.247 1.00 0.00 C ATOM 8 CE LYS A 11 -2.002 -21.130 -4.156 1.00 0.00 C ATOM 9 NZ LYS A 11 -3.171 -21.002 -3.240 1.00 0.00 N ATOM 0 HA LYS A 11 1.920 -19.280 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.109 -19.206 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.140 -17.958 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.903 -19.552 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.223 -20.910 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.831 -18.997 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.900 -19.668 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.350 -21.411 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.354 -21.934 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.688 -21.904 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.839 -20.759 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.804 -20.253 -3.587 1.00 0.00 H new ATOM 23 N MET A 12 0.190 -18.093 0.954 1.00 0.00 N ATOM 24 CA MET A 12 0.121 -17.021 1.948 1.00 0.00 C ATOM 25 C MET A 12 1.503 -16.723 2.530 1.00 0.00 C ATOM 26 O MET A 12 1.880 -15.561 2.685 1.00 0.00 O ATOM 27 CB MET A 12 -0.846 -17.404 3.073 1.00 0.00 C ATOM 28 CG MET A 12 -1.452 -16.210 3.791 1.00 0.00 C ATOM 29 SD MET A 12 -2.526 -15.233 2.723 1.00 0.00 S ATOM 30 CE MET A 12 -2.558 -13.679 3.611 1.00 0.00 C ATOM 0 H MET A 12 -0.413 -18.891 1.156 1.00 0.00 H new ATOM 0 HA MET A 12 -0.244 -16.122 1.451 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.649 -18.013 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.318 -18.023 3.798 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.022 -16.559 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.652 -15.576 4.174 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.427 -13.100 3.299 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.616 -13.873 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.650 -13.117 3.393 1.00 0.00 H new ATOM 40 N LYS A 13 2.254 -17.779 2.844 1.00 0.00 N ATOM 41 CA LYS A 13 3.598 -17.630 3.401 1.00 0.00 C ATOM 42 C LYS A 13 4.492 -16.831 2.453 1.00 0.00 C ATOM 43 O LYS A 13 5.310 -16.025 2.893 1.00 0.00 O ATOM 44 CB LYS A 13 4.221 -19.004 3.678 1.00 0.00 C ATOM 45 CG LYS A 13 4.111 -19.448 5.129 1.00 0.00 C ATOM 46 CD LYS A 13 2.666 -19.483 5.602 1.00 0.00 C ATOM 47 CE LYS A 13 2.544 -20.141 6.969 1.00 0.00 C ATOM 48 NZ LYS A 13 1.439 -19.554 7.779 1.00 0.00 N ATOM 0 H LYS A 13 1.954 -18.746 2.722 1.00 0.00 H new ATOM 0 HA LYS A 13 3.515 -17.086 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.737 -19.746 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.273 -18.979 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.554 -20.438 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.684 -18.769 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.272 -18.468 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.058 -20.027 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.371 -21.210 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.485 -20.032 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.393 -20.032 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.616 -18.539 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.536 -19.680 7.278 1.00 0.00 H new ATOM 62 N LYS A 14 4.318 -17.055 1.149 1.00 0.00 N ATOM 63 CA LYS A 14 5.097 -16.350 0.133 1.00 0.00 C ATOM 64 C LYS A 14 4.814 -14.848 0.174 1.00 0.00 C ATOM 65 O LYS A 14 5.726 -14.034 0.023 1.00 0.00 O ATOM 66 CB LYS A 14 4.780 -16.904 -1.260 1.00 0.00 C ATOM 67 CG LYS A 14 6.008 -17.344 -2.039 1.00 0.00 C ATOM 68 CD LYS A 14 6.702 -16.164 -2.702 1.00 0.00 C ATOM 69 CE LYS A 14 7.128 -16.495 -4.125 1.00 0.00 C ATOM 70 NZ LYS A 14 7.435 -15.272 -4.922 1.00 0.00 N ATOM 0 H LYS A 14 3.643 -17.721 0.773 1.00 0.00 H new ATOM 0 HA LYS A 14 6.154 -16.508 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.103 -17.752 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.252 -16.141 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.705 -17.847 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.717 -18.070 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.031 -15.305 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.576 -15.879 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.007 -17.139 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.335 -17.058 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.011 -15.358 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.043 -14.437 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.466 -15.167 -5.013 1.00 0.00 H new ATOM 84 N ILE A 15 3.545 -14.487 0.379 1.00 0.00 N ATOM 85 CA ILE A 15 3.144 -13.082 0.441 1.00 0.00 C ATOM 86 C ILE A 15 3.760 -12.391 1.657 1.00 0.00 C ATOM 87 O ILE A 15 4.332 -11.306 1.540 1.00 0.00 O ATOM 88 CB ILE A 15 1.607 -12.921 0.495 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.942 -13.697 -0.647 1.00 0.00 C ATOM 90 CG2 ILE A 15 1.225 -11.447 0.432 1.00 0.00 C ATOM 91 CD1 ILE A 15 -0.573 -13.657 -0.610 1.00 0.00 C ATOM 0 H ILE A 15 2.779 -15.149 0.505 1.00 0.00 H new ATOM 0 HA ILE A 15 3.511 -12.613 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 15 1.251 -13.331 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.284 -13.290 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.270 -14.736 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.140 -11.350 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.667 -10.920 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.595 -11.015 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.973 -14.228 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.926 -14.091 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.912 -12.623 -0.680 1.00 0.00 H new ATOM 103 N VAL A 16 3.641 -13.027 2.823 1.00 0.00 N ATOM 104 CA VAL A 16 4.189 -12.473 4.060 1.00 0.00 C ATOM 105 C VAL A 16 5.716 -12.435 4.011 1.00 0.00 C ATOM 106 O VAL A 16 6.332 -11.480 4.480 1.00 0.00 O ATOM 107 CB VAL A 16 3.740 -13.281 5.298 1.00 0.00 C ATOM 108 CG1 VAL A 16 4.164 -12.578 6.580 1.00 0.00 C ATOM 109 CG2 VAL A 16 2.234 -13.503 5.276 1.00 0.00 C ATOM 0 H VAL A 16 3.171 -13.925 2.936 1.00 0.00 H new ATOM 0 HA VAL A 16 3.803 -11.458 4.149 1.00 0.00 H new ATOM 0 HB VAL A 16 4.228 -14.255 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.839 -13.163 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.249 -12.478 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.708 -11.589 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.937 -14.074 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.724 -12.540 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.961 -14.055 4.377 1.00 0.00 H new ATOM 119 N ASP A 17 6.321 -13.476 3.434 1.00 0.00 N ATOM 120 CA ASP A 17 7.776 -13.549 3.319 1.00 0.00 C ATOM 121 C ASP A 17 8.318 -12.347 2.552 1.00 0.00 C ATOM 122 O ASP A 17 9.319 -11.750 2.947 1.00 0.00 O ATOM 123 CB ASP A 17 8.199 -14.837 2.606 1.00 0.00 C ATOM 124 CG ASP A 17 9.671 -15.153 2.806 1.00 0.00 C ATOM 125 OD1 ASP A 17 10.518 -14.383 2.305 1.00 0.00 O ATOM 126 OD2 ASP A 17 9.976 -16.168 3.463 1.00 0.00 O ATOM 0 H ASP A 17 5.826 -14.277 3.041 1.00 0.00 H new ATOM 0 HA ASP A 17 8.189 -13.546 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.598 -15.668 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.992 -14.744 1.540 1.00 0.00 H new ATOM 131 N ALA A 18 7.652 -12.006 1.448 1.00 0.00 N ATOM 132 CA ALA A 18 8.068 -10.883 0.611 1.00 0.00 C ATOM 133 C ALA A 18 7.908 -9.543 1.332 1.00 0.00 C ATOM 134 O ALA A 18 8.793 -8.691 1.262 1.00 0.00 O ATOM 135 CB ALA A 18 7.283 -10.881 -0.696 1.00 0.00 C ATOM 0 H ALA A 18 6.821 -12.493 1.113 1.00 0.00 H new ATOM 0 HA ALA A 18 9.128 -11.010 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.602 -10.039 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.466 -11.812 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.218 -10.790 -0.481 1.00 0.00 H new ATOM 141 N VAL A 19 6.780 -9.358 2.020 1.00 0.00 N ATOM 142 CA VAL A 19 6.521 -8.109 2.743 1.00 0.00 C ATOM 143 C VAL A 19 7.423 -7.970 3.969 1.00 0.00 C ATOM 144 O VAL A 19 7.980 -6.900 4.218 1.00 0.00 O ATOM 145 CB VAL A 19 5.040 -7.980 3.174 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.143 -7.827 1.955 1.00 0.00 C ATOM 147 CG2 VAL A 19 4.605 -9.172 4.013 1.00 0.00 C ATOM 0 H VAL A 19 6.035 -10.051 2.093 1.00 0.00 H new ATOM 0 HA VAL A 19 6.747 -7.303 2.044 1.00 0.00 H new ATOM 0 HB VAL A 19 4.945 -7.086 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.105 -7.738 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.430 -6.933 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.250 -8.701 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.560 -9.053 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.719 -10.087 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.223 -9.232 4.909 1.00 0.00 H new ATOM 157 N ILE A 20 7.574 -9.056 4.726 1.00 0.00 N ATOM 158 CA ILE A 20 8.418 -9.050 5.919 1.00 0.00 C ATOM 159 C ILE A 20 9.891 -8.870 5.548 1.00 0.00 C ATOM 160 O ILE A 20 10.644 -8.229 6.282 1.00 0.00 O ATOM 161 CB ILE A 20 8.245 -10.340 6.754 1.00 0.00 C ATOM 162 CG1 ILE A 20 6.800 -10.464 7.251 1.00 0.00 C ATOM 163 CG2 ILE A 20 9.214 -10.357 7.931 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.406 -9.408 8.265 1.00 0.00 C ATOM 0 H ILE A 20 7.123 -9.950 4.534 1.00 0.00 H new ATOM 0 HA ILE A 20 8.097 -8.205 6.528 1.00 0.00 H new ATOM 0 HB ILE A 20 8.469 -11.194 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.126 -10.403 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.662 -11.450 7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.074 -11.274 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.238 -10.314 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.023 -9.496 8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.370 -9.563 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.054 -9.482 9.138 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.509 -8.419 7.819 1.00 0.00 H new ATOM 176 N LYS A 21 10.294 -9.431 4.405 1.00 0.00 N ATOM 177 CA LYS A 21 11.678 -9.318 3.944 1.00 0.00 C ATOM 178 C LYS A 21 12.077 -7.849 3.774 1.00 0.00 C ATOM 179 O LYS A 21 13.235 -7.487 3.988 1.00 0.00 O ATOM 180 CB LYS A 21 11.865 -10.067 2.620 1.00 0.00 C ATOM 181 CG LYS A 21 12.551 -11.417 2.771 1.00 0.00 C ATOM 182 CD LYS A 21 12.917 -12.012 1.419 1.00 0.00 C ATOM 183 CE LYS A 21 14.320 -12.604 1.426 1.00 0.00 C ATOM 184 NZ LYS A 21 14.309 -14.088 1.268 1.00 0.00 N ATOM 0 H LYS A 21 9.685 -9.965 3.785 1.00 0.00 H new ATOM 0 HA LYS A 21 12.323 -9.768 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.890 -10.215 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.450 -9.446 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.451 -11.303 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.893 -12.103 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.197 -12.786 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.851 -11.240 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.904 -12.159 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.817 -12.344 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.286 -14.445 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.775 -14.517 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.859 -14.338 0.364 1.00 0.00 H new ATOM 198 N TYR A 22 11.111 -7.006 3.398 1.00 0.00 N ATOM 199 CA TYR A 22 11.368 -5.580 3.212 1.00 0.00 C ATOM 200 C TYR A 22 10.723 -4.758 4.334 1.00 0.00 C ATOM 201 O TYR A 22 9.877 -3.895 4.084 1.00 0.00 O ATOM 202 CB TYR A 22 10.850 -5.118 1.844 1.00 0.00 C ATOM 203 CG TYR A 22 11.651 -3.982 1.236 1.00 0.00 C ATOM 204 CD1 TYR A 22 11.921 -2.826 1.959 1.00 0.00 C ATOM 205 CD2 TYR A 22 12.137 -4.070 -0.064 1.00 0.00 C ATOM 206 CE1 TYR A 22 12.650 -1.791 1.407 1.00 0.00 C ATOM 207 CE2 TYR A 22 12.868 -3.038 -0.623 1.00 0.00 C ATOM 208 CZ TYR A 22 13.122 -1.901 0.116 1.00 0.00 C ATOM 209 OH TYR A 22 13.849 -0.873 -0.440 1.00 0.00 O ATOM 0 H TYR A 22 10.147 -7.288 3.218 1.00 0.00 H new ATOM 0 HA TYR A 22 12.446 -5.420 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.860 -5.965 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.812 -4.803 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.554 -2.736 2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.940 -4.958 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.849 -0.900 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.239 -3.122 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 22 14.106 -1.112 -1.355 1.00 0.00 H new ATOM 219 N LYS A 23 11.134 -5.029 5.573 1.00 0.00 N ATOM 220 CA LYS A 23 10.605 -4.315 6.736 1.00 0.00 C ATOM 221 C LYS A 23 11.553 -3.197 7.172 1.00 0.00 C ATOM 222 O LYS A 23 12.761 -3.407 7.294 1.00 0.00 O ATOM 223 CB LYS A 23 10.366 -5.285 7.900 1.00 0.00 C ATOM 224 CG LYS A 23 11.603 -6.075 8.312 1.00 0.00 C ATOM 225 CD LYS A 23 11.872 -5.957 9.805 1.00 0.00 C ATOM 226 CE LYS A 23 12.327 -7.282 10.400 1.00 0.00 C ATOM 227 NZ LYS A 23 11.282 -8.340 10.284 1.00 0.00 N ATOM 0 H LYS A 23 11.832 -5.738 5.797 1.00 0.00 H new ATOM 0 HA LYS A 23 9.654 -3.867 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.004 -4.722 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.577 -5.984 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.470 -7.124 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.468 -5.713 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.635 -5.199 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.968 -5.621 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.234 -7.613 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.581 -7.139 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.383 -9.016 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.339 -7.903 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.394 -8.840 9.379 1.00 0.00 H new ATOM 241 N ASP A 24 10.994 -2.007 7.407 1.00 0.00 N ATOM 242 CA ASP A 24 11.786 -0.855 7.830 1.00 0.00 C ATOM 243 C ASP A 24 11.882 -0.788 9.351 1.00 0.00 C ATOM 244 O ASP A 24 10.869 -0.640 10.040 1.00 0.00 O ATOM 245 CB ASP A 24 11.175 0.441 7.288 1.00 0.00 C ATOM 246 CG ASP A 24 12.127 1.196 6.380 1.00 0.00 C ATOM 247 OD1 ASP A 24 13.217 1.582 6.852 1.00 0.00 O ATOM 248 OD2 ASP A 24 11.781 1.400 5.197 1.00 0.00 O ATOM 0 H ASP A 24 9.996 -1.819 7.311 1.00 0.00 H new ATOM 0 HA ASP A 24 12.791 -0.971 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.263 0.207 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.889 1.081 8.123 1.00 0.00 H new ATOM 253 N SER A 25 13.108 -0.896 9.868 1.00 0.00 N ATOM 254 CA SER A 25 13.354 -0.851 11.309 1.00 0.00 C ATOM 255 C SER A 25 12.676 -2.024 12.024 1.00 0.00 C ATOM 256 O SER A 25 12.063 -2.883 11.385 1.00 0.00 O ATOM 257 CB SER A 25 12.865 0.481 11.895 1.00 0.00 C ATOM 258 OG SER A 25 13.928 1.414 11.999 1.00 0.00 O ATOM 0 H SER A 25 13.950 -1.016 9.305 1.00 0.00 H new ATOM 0 HA SER A 25 14.429 -0.933 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.077 0.892 11.264 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.429 0.311 12.879 1.00 0.00 H new ATOM 0 HG SER A 25 13.590 2.254 12.373 1.00 0.00 H new ATOM 264 N SER A 26 12.792 -2.053 13.351 1.00 0.00 N ATOM 265 CA SER A 26 12.193 -3.116 14.156 1.00 0.00 C ATOM 266 C SER A 26 10.717 -2.831 14.442 1.00 0.00 C ATOM 267 O SER A 26 9.950 -3.747 14.741 1.00 0.00 O ATOM 268 CB SER A 26 12.956 -3.277 15.474 1.00 0.00 C ATOM 269 OG SER A 26 12.770 -2.150 16.317 1.00 0.00 O ATOM 0 H SER A 26 13.297 -1.351 13.892 1.00 0.00 H new ATOM 0 HA SER A 26 12.258 -4.043 13.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.616 -4.177 15.986 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.018 -3.409 15.268 1.00 0.00 H new ATOM 0 HG SER A 26 13.267 -2.280 17.152 1.00 0.00 H new ATOM 275 N SER A 27 10.327 -1.557 14.356 1.00 0.00 N ATOM 276 CA SER A 27 8.946 -1.159 14.615 1.00 0.00 C ATOM 277 C SER A 27 8.072 -1.291 13.362 1.00 0.00 C ATOM 278 O SER A 27 6.844 -1.341 13.462 1.00 0.00 O ATOM 279 CB SER A 27 8.906 0.284 15.124 1.00 0.00 C ATOM 280 OG SER A 27 7.647 0.594 15.700 1.00 0.00 O ATOM 0 H SER A 27 10.948 -0.787 14.109 1.00 0.00 H new ATOM 0 HA SER A 27 8.545 -1.830 15.375 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.693 0.433 15.863 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.109 0.968 14.300 1.00 0.00 H new ATOM 0 HG SER A 27 7.652 1.521 16.017 1.00 0.00 H new ATOM 286 N GLY A 28 8.701 -1.335 12.184 1.00 0.00 N ATOM 287 CA GLY A 28 7.949 -1.447 10.942 1.00 0.00 C ATOM 288 C GLY A 28 7.667 -0.093 10.308 1.00 0.00 C ATOM 289 O GLY A 28 7.510 0.005 9.090 1.00 0.00 O ATOM 0 H GLY A 28 9.714 -1.295 12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.506 -2.065 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.006 -1.957 11.137 1.00 0.00 H new ATOM 293 N ARG A 29 7.600 0.951 11.141 1.00 0.00 N ATOM 294 CA ARG A 29 7.337 2.311 10.671 1.00 0.00 C ATOM 295 C ARG A 29 8.357 2.749 9.621 1.00 0.00 C ATOM 296 O ARG A 29 9.488 2.259 9.592 1.00 0.00 O ATOM 297 CB ARG A 29 7.347 3.295 11.846 1.00 0.00 C ATOM 298 CG ARG A 29 8.553 3.148 12.764 1.00 0.00 C ATOM 299 CD ARG A 29 9.186 4.495 13.071 1.00 0.00 C ATOM 300 NE ARG A 29 8.467 5.212 14.122 1.00 0.00 N ATOM 301 CZ ARG A 29 8.994 6.204 14.843 1.00 0.00 C ATOM 302 NH1 ARG A 29 10.243 6.608 14.622 1.00 0.00 N ATOM 303 NH2 ARG A 29 8.270 6.796 15.785 1.00 0.00 N ATOM 0 H ARG A 29 7.726 0.876 12.150 1.00 0.00 H new ATOM 0 HA ARG A 29 6.350 2.312 10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.322 4.312 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.438 3.156 12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.248 2.668 13.694 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.291 2.496 12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.222 4.347 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.204 5.102 12.166 1.00 0.00 H new ATOM 0 HE ARG A 29 7.504 4.938 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.804 6.159 13.898 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.639 7.367 15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.312 6.493 15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.672 7.554 16.336 1.00 0.00 H new ATOM 317 N GLN A 30 7.941 3.675 8.758 1.00 0.00 N ATOM 318 CA GLN A 30 8.801 4.189 7.693 1.00 0.00 C ATOM 319 C GLN A 30 8.144 5.390 7.008 1.00 0.00 C ATOM 320 O GLN A 30 7.105 5.872 7.457 1.00 0.00 O ATOM 321 CB GLN A 30 9.082 3.080 6.668 1.00 0.00 C ATOM 322 CG GLN A 30 7.838 2.304 6.253 1.00 0.00 C ATOM 323 CD GLN A 30 7.697 2.170 4.747 1.00 0.00 C ATOM 324 OE1 GLN A 30 8.238 2.972 3.986 1.00 0.00 O ATOM 325 NE2 GLN A 30 6.957 1.156 4.307 1.00 0.00 N ATOM 0 H GLN A 30 7.008 4.087 8.776 1.00 0.00 H new ATOM 0 HA GLN A 30 9.745 4.516 8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.537 3.523 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.810 2.386 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.871 1.310 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.955 2.803 6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.526 0.513 4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.821 1.021 3.305 1.00 0.00 H new ATOM 334 N LEU A 31 8.749 5.865 5.918 1.00 0.00 N ATOM 335 CA LEU A 31 8.205 7.005 5.174 1.00 0.00 C ATOM 336 C LEU A 31 6.779 6.721 4.712 1.00 0.00 C ATOM 337 O LEU A 31 5.927 7.609 4.720 1.00 0.00 O ATOM 338 CB LEU A 31 9.082 7.319 3.959 1.00 0.00 C ATOM 339 CG LEU A 31 10.361 8.096 4.268 1.00 0.00 C ATOM 340 CD1 LEU A 31 11.479 7.144 4.662 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.768 8.945 3.071 1.00 0.00 C ATOM 0 H LEU A 31 9.611 5.481 5.531 1.00 0.00 H new ATOM 0 HA LEU A 31 8.195 7.866 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.353 6.381 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.492 7.890 3.242 1.00 0.00 H new ATOM 0 HG LEU A 31 10.170 8.762 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.383 7.714 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.183 6.582 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.674 6.453 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.681 9.492 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.944 8.300 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.971 9.651 2.838 1.00 0.00 H new ATOM 353 N SER A 32 6.527 5.470 4.316 1.00 0.00 N ATOM 354 CA SER A 32 5.205 5.052 3.846 1.00 0.00 C ATOM 355 C SER A 32 4.135 5.113 4.947 1.00 0.00 C ATOM 356 O SER A 32 2.972 4.793 4.691 1.00 0.00 O ATOM 357 CB SER A 32 5.271 3.633 3.277 1.00 0.00 C ATOM 358 OG SER A 32 4.175 3.370 2.418 1.00 0.00 O ATOM 0 H SER A 32 7.225 4.727 4.312 1.00 0.00 H new ATOM 0 HA SER A 32 4.913 5.756 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.204 3.502 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.277 2.911 4.094 1.00 0.00 H new ATOM 0 HG SER A 32 3.365 3.781 2.786 1.00 0.00 H new ATOM 364 N GLU A 33 4.517 5.526 6.161 1.00 0.00 N ATOM 365 CA GLU A 33 3.567 5.620 7.271 1.00 0.00 C ATOM 366 C GLU A 33 2.389 6.525 6.909 1.00 0.00 C ATOM 367 O GLU A 33 1.282 6.343 7.419 1.00 0.00 O ATOM 368 CB GLU A 33 4.265 6.140 8.530 1.00 0.00 C ATOM 369 CG GLU A 33 4.782 7.567 8.414 1.00 0.00 C ATOM 370 CD GLU A 33 5.435 8.051 9.694 1.00 0.00 C ATOM 371 OE1 GLU A 33 4.716 8.208 10.704 1.00 0.00 O ATOM 372 OE2 GLU A 33 6.665 8.267 9.688 1.00 0.00 O ATOM 0 H GLU A 33 5.471 5.798 6.397 1.00 0.00 H new ATOM 0 HA GLU A 33 3.181 4.620 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.569 6.085 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.100 5.481 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.502 7.624 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.956 8.230 8.158 1.00 0.00 H new ATOM 379 N VAL A 34 2.629 7.484 6.014 1.00 0.00 N ATOM 380 CA VAL A 34 1.583 8.400 5.570 1.00 0.00 C ATOM 381 C VAL A 34 0.439 7.640 4.891 1.00 0.00 C ATOM 382 O VAL A 34 -0.712 8.077 4.933 1.00 0.00 O ATOM 383 CB VAL A 34 2.139 9.461 4.593 1.00 0.00 C ATOM 384 CG1 VAL A 34 1.088 10.523 4.304 1.00 0.00 C ATOM 385 CG2 VAL A 34 3.406 10.095 5.153 1.00 0.00 C ATOM 0 H VAL A 34 3.540 7.645 5.583 1.00 0.00 H new ATOM 0 HA VAL A 34 1.203 8.904 6.459 1.00 0.00 H new ATOM 0 HB VAL A 34 2.392 8.966 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.497 11.262 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.211 10.055 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.802 11.014 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.782 10.839 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.182 10.576 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.162 9.325 5.304 1.00 0.00 H new ATOM 395 N PHE A 35 0.759 6.499 4.272 1.00 0.00 N ATOM 396 CA PHE A 35 -0.249 5.685 3.594 1.00 0.00 C ATOM 397 C PHE A 35 -0.576 4.409 4.382 1.00 0.00 C ATOM 398 O PHE A 35 -1.129 3.458 3.826 1.00 0.00 O ATOM 399 CB PHE A 35 0.229 5.319 2.186 1.00 0.00 C ATOM 400 CG PHE A 35 0.329 6.494 1.252 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.719 7.394 1.131 1.00 0.00 C ATOM 402 CD2 PHE A 35 1.471 6.696 0.494 1.00 0.00 C ATOM 403 CE1 PHE A 35 -0.627 8.473 0.273 1.00 0.00 C ATOM 404 CE2 PHE A 35 1.567 7.773 -0.367 1.00 0.00 C ATOM 405 CZ PHE A 35 0.516 8.662 -0.478 1.00 0.00 C ATOM 0 H PHE A 35 1.705 6.121 4.228 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.161 6.279 3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.205 4.840 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.455 4.586 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.617 7.250 1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.296 6.004 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.449 9.168 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.463 7.919 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.588 9.504 -1.151 1.00 0.00 H new ATOM 415 N ILE A 36 -0.248 4.393 5.678 1.00 0.00 N ATOM 416 CA ILE A 36 -0.530 3.234 6.522 1.00 0.00 C ATOM 417 C ILE A 36 -1.876 3.400 7.229 1.00 0.00 C ATOM 418 O ILE A 36 -2.660 2.454 7.312 1.00 0.00 O ATOM 419 CB ILE A 36 0.584 2.997 7.569 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.889 2.600 6.873 1.00 0.00 C ATOM 421 CG2 ILE A 36 0.167 1.921 8.565 1.00 0.00 C ATOM 422 CD1 ILE A 36 3.007 2.236 7.828 1.00 0.00 C ATOM 0 H ILE A 36 0.210 5.166 6.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.568 2.363 5.868 1.00 0.00 H new ATOM 0 HB ILE A 36 0.746 3.926 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.696 1.752 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.218 3.425 6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.965 1.770 9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.740 2.235 9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.022 0.988 8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.897 1.967 7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.230 3.089 8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.699 1.390 8.443 1.00 0.00 H new ATOM 434 N GLN A 37 -2.138 4.609 7.731 1.00 0.00 N ATOM 435 CA GLN A 37 -3.391 4.904 8.424 1.00 0.00 C ATOM 436 C GLN A 37 -4.199 5.954 7.656 1.00 0.00 C ATOM 437 O GLN A 37 -3.806 7.119 7.583 1.00 0.00 O ATOM 438 CB GLN A 37 -3.107 5.400 9.845 1.00 0.00 C ATOM 439 CG GLN A 37 -2.671 4.298 10.798 1.00 0.00 C ATOM 440 CD GLN A 37 -2.749 4.718 12.253 1.00 0.00 C ATOM 441 OE1 GLN A 37 -3.834 4.950 12.786 1.00 0.00 O ATOM 442 NE2 GLN A 37 -1.596 4.817 12.906 1.00 0.00 N ATOM 0 H GLN A 37 -1.497 5.400 7.670 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.976 3.986 8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.330 6.164 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.004 5.877 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.298 3.420 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.648 4.004 10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.719 4.615 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.588 5.094 13.887 1.00 0.00 H new ATOM 451 N LEU A 38 -5.326 5.531 7.082 1.00 0.00 N ATOM 452 CA LEU A 38 -6.190 6.428 6.314 1.00 0.00 C ATOM 453 C LEU A 38 -7.422 6.833 7.126 1.00 0.00 C ATOM 454 O LEU A 38 -8.087 5.981 7.718 1.00 0.00 O ATOM 455 CB LEU A 38 -6.628 5.750 5.009 1.00 0.00 C ATOM 456 CG LEU A 38 -5.978 6.299 3.736 1.00 0.00 C ATOM 457 CD1 LEU A 38 -5.752 5.183 2.725 1.00 0.00 C ATOM 458 CD2 LEU A 38 -6.836 7.402 3.133 1.00 0.00 C ATOM 0 H LEU A 38 -5.663 4.570 7.135 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.621 7.328 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.406 4.685 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.710 5.845 4.915 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.009 6.722 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.289 5.593 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.097 4.427 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.708 4.728 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.359 7.781 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.820 7.003 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.945 8.213 3.853 1.00 0.00 H new ATOM 470 N PRO A 39 -7.741 8.148 7.167 1.00 0.00 N ATOM 471 CA PRO A 39 -8.899 8.669 7.912 1.00 0.00 C ATOM 472 C PRO A 39 -10.233 8.122 7.391 1.00 0.00 C ATOM 473 O PRO A 39 -10.263 7.180 6.597 1.00 0.00 O ATOM 474 CB PRO A 39 -8.821 10.189 7.695 1.00 0.00 C ATOM 475 CG PRO A 39 -7.418 10.449 7.265 1.00 0.00 C ATOM 476 CD PRO A 39 -6.995 9.230 6.499 1.00 0.00 C ATOM 0 HA PRO A 39 -8.864 8.374 8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.533 10.516 6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.059 10.731 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.358 11.342 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.769 10.615 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.253 9.307 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.918 9.072 6.553 1.00 0.00 H new ATOM 484 N SER A 40 -11.337 8.716 7.851 1.00 0.00 N ATOM 485 CA SER A 40 -12.674 8.285 7.443 1.00 0.00 C ATOM 486 C SER A 40 -13.284 9.236 6.413 1.00 0.00 C ATOM 487 O SER A 40 -12.806 10.356 6.223 1.00 0.00 O ATOM 488 CB SER A 40 -13.588 8.187 8.668 1.00 0.00 C ATOM 489 OG SER A 40 -13.079 7.260 9.613 1.00 0.00 O ATOM 0 H SER A 40 -11.330 9.497 8.507 1.00 0.00 H new ATOM 0 HA SER A 40 -12.580 7.304 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.685 9.168 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.587 7.882 8.357 1.00 0.00 H new ATOM 0 HG SER A 40 -13.680 7.218 10.386 1.00 0.00 H new ATOM 495 N ARG A 41 -14.347 8.774 5.750 1.00 0.00 N ATOM 496 CA ARG A 41 -15.037 9.571 4.735 1.00 0.00 C ATOM 497 C ARG A 41 -15.498 10.914 5.302 1.00 0.00 C ATOM 498 O ARG A 41 -15.363 11.943 4.646 1.00 0.00 O ATOM 499 CB ARG A 41 -16.238 8.804 4.170 1.00 0.00 C ATOM 500 CG ARG A 41 -15.949 8.104 2.852 1.00 0.00 C ATOM 501 CD ARG A 41 -17.165 7.347 2.338 1.00 0.00 C ATOM 502 NE ARG A 41 -17.089 5.916 2.636 1.00 0.00 N ATOM 503 CZ ARG A 41 -18.142 5.094 2.637 1.00 0.00 C ATOM 504 NH1 ARG A 41 -19.357 5.552 2.347 1.00 0.00 N ATOM 505 NH2 ARG A 41 -17.979 3.807 2.925 1.00 0.00 N ATOM 0 H ARG A 41 -14.749 7.849 5.899 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.328 9.764 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.562 8.064 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.067 9.497 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.638 8.839 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.118 7.411 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.067 7.763 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.251 7.488 1.261 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.175 5.522 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.490 6.538 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.155 4.917 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.050 3.447 3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.783 3.179 2.926 1.00 0.00 H new ATOM 519 N LYS A 42 -16.035 10.897 6.522 1.00 0.00 N ATOM 520 CA LYS A 42 -16.504 12.125 7.169 1.00 0.00 C ATOM 521 C LYS A 42 -15.358 13.125 7.336 1.00 0.00 C ATOM 522 O LYS A 42 -15.555 14.333 7.201 1.00 0.00 O ATOM 523 CB LYS A 42 -17.129 11.808 8.531 1.00 0.00 C ATOM 524 CG LYS A 42 -17.889 12.977 9.145 1.00 0.00 C ATOM 525 CD LYS A 42 -19.208 12.530 9.758 1.00 0.00 C ATOM 526 CE LYS A 42 -19.741 13.559 10.747 1.00 0.00 C ATOM 527 NZ LYS A 42 -20.389 12.919 11.927 1.00 0.00 N ATOM 0 H LYS A 42 -16.156 10.052 7.081 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.263 12.575 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.808 10.963 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.342 11.497 9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.273 13.450 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.080 13.729 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.942 12.369 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.070 11.575 10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.923 14.195 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -20.461 14.205 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -20.737 13.655 12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.187 12.332 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.696 12.322 12.423 1.00 0.00 H new ATOM 541 N GLU A 43 -14.160 12.611 7.625 1.00 0.00 N ATOM 542 CA GLU A 43 -12.981 13.454 7.804 1.00 0.00 C ATOM 543 C GLU A 43 -12.561 14.105 6.485 1.00 0.00 C ATOM 544 O GLU A 43 -12.117 15.254 6.466 1.00 0.00 O ATOM 545 CB GLU A 43 -11.820 12.635 8.376 1.00 0.00 C ATOM 546 CG GLU A 43 -11.708 12.710 9.891 1.00 0.00 C ATOM 547 CD GLU A 43 -11.024 13.979 10.360 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.779 13.982 10.455 1.00 0.00 O ATOM 549 OE2 GLU A 43 -11.734 14.973 10.630 1.00 0.00 O ATOM 0 H GLU A 43 -13.983 11.613 7.740 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.240 14.245 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.942 11.593 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.887 12.985 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.705 12.655 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.152 11.846 10.254 1.00 0.00 H new ATOM 556 N LEU A 44 -12.703 13.364 5.382 1.00 0.00 N ATOM 557 CA LEU A 44 -12.335 13.875 4.061 1.00 0.00 C ATOM 558 C LEU A 44 -13.229 13.280 2.967 1.00 0.00 C ATOM 559 O LEU A 44 -12.809 12.393 2.221 1.00 0.00 O ATOM 560 CB LEU A 44 -10.860 13.576 3.757 1.00 0.00 C ATOM 561 CG LEU A 44 -10.281 12.319 4.422 1.00 0.00 C ATOM 562 CD1 LEU A 44 -10.974 11.063 3.913 1.00 0.00 C ATOM 563 CD2 LEU A 44 -8.782 12.238 4.176 1.00 0.00 C ATOM 0 H LEU A 44 -13.069 12.412 5.379 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.481 14.955 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.744 13.479 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.264 14.435 4.066 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.458 12.388 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.545 10.188 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.039 11.118 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.835 10.983 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.383 11.343 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.591 12.194 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.296 13.119 4.595 1.00 0.00 H new ATOM 575 N PRO A 45 -14.480 13.765 2.852 1.00 0.00 N ATOM 576 CA PRO A 45 -15.428 13.279 1.841 1.00 0.00 C ATOM 577 C PRO A 45 -14.927 13.514 0.417 1.00 0.00 C ATOM 578 O PRO A 45 -15.133 12.681 -0.466 1.00 0.00 O ATOM 579 CB PRO A 45 -16.703 14.090 2.106 1.00 0.00 C ATOM 580 CG PRO A 45 -16.257 15.275 2.894 1.00 0.00 C ATOM 581 CD PRO A 45 -15.068 14.823 3.692 1.00 0.00 C ATOM 0 HA PRO A 45 -15.579 12.202 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.177 14.394 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.435 13.502 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.993 16.103 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.053 15.630 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.365 15.638 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.361 14.443 4.671 1.00 0.00 H new ATOM 589 N GLU A 46 -14.261 14.651 0.204 1.00 0.00 N ATOM 590 CA GLU A 46 -13.723 14.996 -1.112 1.00 0.00 C ATOM 591 C GLU A 46 -12.670 13.981 -1.559 1.00 0.00 C ATOM 592 O GLU A 46 -12.559 13.675 -2.747 1.00 0.00 O ATOM 593 CB GLU A 46 -13.117 16.402 -1.090 1.00 0.00 C ATOM 594 CG GLU A 46 -13.520 17.258 -2.281 1.00 0.00 C ATOM 595 CD GLU A 46 -12.362 18.057 -2.848 1.00 0.00 C ATOM 596 OE1 GLU A 46 -11.754 18.843 -2.091 1.00 0.00 O ATOM 597 OE2 GLU A 46 -12.065 17.898 -4.050 1.00 0.00 O ATOM 0 H GLU A 46 -14.082 15.348 0.927 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.546 14.974 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.421 16.905 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.030 16.320 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.930 16.617 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.314 17.941 -1.980 1.00 0.00 H new ATOM 604 N TYR A 47 -11.904 13.455 -0.600 1.00 0.00 N ATOM 605 CA TYR A 47 -10.869 12.468 -0.898 1.00 0.00 C ATOM 606 C TYR A 47 -11.477 11.229 -1.550 1.00 0.00 C ATOM 607 O TYR A 47 -10.981 10.750 -2.569 1.00 0.00 O ATOM 608 CB TYR A 47 -10.124 12.074 0.380 1.00 0.00 C ATOM 609 CG TYR A 47 -8.760 11.465 0.129 1.00 0.00 C ATOM 610 CD1 TYR A 47 -7.627 12.266 0.057 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.605 10.094 -0.033 1.00 0.00 C ATOM 612 CE1 TYR A 47 -6.379 11.718 -0.170 1.00 0.00 C ATOM 613 CE2 TYR A 47 -7.361 9.538 -0.259 1.00 0.00 C ATOM 614 CZ TYR A 47 -6.251 10.354 -0.327 1.00 0.00 C ATOM 615 OH TYR A 47 -5.009 9.804 -0.553 1.00 0.00 O ATOM 0 H TYR A 47 -11.983 13.697 0.388 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.162 12.917 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.007 12.957 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.732 11.363 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.723 13.335 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.472 9.452 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.508 12.355 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.258 8.470 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.093 8.831 -0.640 1.00 0.00 H new ATOM 625 N TYR A 48 -12.556 10.718 -0.957 1.00 0.00 N ATOM 626 CA TYR A 48 -13.237 9.538 -1.485 1.00 0.00 C ATOM 627 C TYR A 48 -13.866 9.822 -2.852 1.00 0.00 C ATOM 628 O TYR A 48 -14.029 8.912 -3.665 1.00 0.00 O ATOM 629 CB TYR A 48 -14.306 9.049 -0.503 1.00 0.00 C ATOM 630 CG TYR A 48 -13.816 7.957 0.422 1.00 0.00 C ATOM 631 CD1 TYR A 48 -13.001 8.254 1.510 1.00 0.00 C ATOM 632 CD2 TYR A 48 -14.165 6.630 0.207 1.00 0.00 C ATOM 633 CE1 TYR A 48 -12.549 7.257 2.354 1.00 0.00 C ATOM 634 CE2 TYR A 48 -13.717 5.630 1.047 1.00 0.00 C ATOM 635 CZ TYR A 48 -12.911 5.948 2.120 1.00 0.00 C ATOM 636 OH TYR A 48 -12.461 4.953 2.959 1.00 0.00 O ATOM 0 H TYR A 48 -12.976 11.103 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.490 8.755 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.654 9.892 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.164 8.681 -1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.717 9.279 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -14.797 6.376 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.915 7.503 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.997 4.603 0.865 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.808 4.088 2.656 1.00 0.00 H new ATOM 646 N GLU A 49 -14.217 11.086 -3.102 1.00 0.00 N ATOM 647 CA GLU A 49 -14.823 11.476 -4.374 1.00 0.00 C ATOM 648 C GLU A 49 -13.816 11.364 -5.520 1.00 0.00 C ATOM 649 O GLU A 49 -14.133 10.829 -6.583 1.00 0.00 O ATOM 650 CB GLU A 49 -15.367 12.907 -4.296 1.00 0.00 C ATOM 651 CG GLU A 49 -16.467 13.091 -3.260 1.00 0.00 C ATOM 652 CD GLU A 49 -17.847 12.768 -3.803 1.00 0.00 C ATOM 653 OE1 GLU A 49 -18.062 11.617 -4.238 1.00 0.00 O ATOM 654 OE2 GLU A 49 -18.714 13.667 -3.793 1.00 0.00 O ATOM 0 H GLU A 49 -14.092 11.853 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.649 10.793 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.546 13.586 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.751 13.193 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.261 12.452 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.454 14.121 -2.902 1.00 0.00 H new ATOM 661 N LEU A 50 -12.602 11.872 -5.296 1.00 0.00 N ATOM 662 CA LEU A 50 -11.550 11.829 -6.313 1.00 0.00 C ATOM 663 C LEU A 50 -10.832 10.476 -6.317 1.00 0.00 C ATOM 664 O LEU A 50 -10.474 9.962 -7.378 1.00 0.00 O ATOM 665 CB LEU A 50 -10.541 12.962 -6.080 1.00 0.00 C ATOM 666 CG LEU A 50 -9.469 13.123 -7.165 1.00 0.00 C ATOM 667 CD1 LEU A 50 -10.104 13.277 -8.541 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.574 14.316 -6.854 1.00 0.00 C ATOM 0 H LEU A 50 -12.324 12.317 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.020 11.963 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.088 13.900 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.044 12.792 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.857 12.221 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.322 13.389 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.700 12.393 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.745 14.159 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.818 14.417 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.177 15.223 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.085 14.163 -5.892 1.00 0.00 H new ATOM 680 N ILE A 51 -10.623 9.909 -5.130 1.00 0.00 N ATOM 681 CA ILE A 51 -9.947 8.619 -4.999 1.00 0.00 C ATOM 682 C ILE A 51 -10.951 7.468 -4.962 1.00 0.00 C ATOM 683 O ILE A 51 -11.897 7.484 -4.174 1.00 0.00 O ATOM 684 CB ILE A 51 -9.072 8.568 -3.725 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.177 9.808 -3.635 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.231 7.298 -3.703 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.262 9.992 -4.829 1.00 0.00 C ATOM 0 H ILE A 51 -10.912 10.323 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.308 8.508 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.731 8.558 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.807 10.692 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.571 9.742 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.622 7.280 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.887 6.427 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.582 7.276 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.660 10.890 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.606 9.127 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.861 10.091 -5.734 1.00 0.00 H new ATOM 699 N ARG A 52 -10.735 6.467 -5.817 1.00 0.00 N ATOM 700 CA ARG A 52 -11.619 5.303 -5.882 1.00 0.00 C ATOM 701 C ARG A 52 -11.305 4.311 -4.760 1.00 0.00 C ATOM 702 O ARG A 52 -10.552 3.355 -4.957 1.00 0.00 O ATOM 703 CB ARG A 52 -11.494 4.611 -7.246 1.00 0.00 C ATOM 704 CG ARG A 52 -12.322 5.262 -8.343 1.00 0.00 C ATOM 705 CD ARG A 52 -11.474 6.174 -9.219 1.00 0.00 C ATOM 706 NE ARG A 52 -11.915 6.158 -10.614 1.00 0.00 N ATOM 707 CZ ARG A 52 -12.977 6.828 -11.071 1.00 0.00 C ATOM 708 NH1 ARG A 52 -13.708 7.580 -10.251 1.00 0.00 N ATOM 709 NH2 ARG A 52 -13.308 6.747 -12.356 1.00 0.00 N ATOM 0 H ARG A 52 -9.955 6.439 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.644 5.652 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.446 4.609 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.798 3.569 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.782 4.490 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.132 5.837 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.522 7.193 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.431 5.862 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.378 5.601 -11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.459 7.649 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.517 8.088 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.752 6.174 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.118 7.258 -12.707 1.00 0.00 H new ATOM 723 N LYS A 53 -11.893 4.550 -3.586 1.00 0.00 N ATOM 724 CA LYS A 53 -11.694 3.689 -2.416 1.00 0.00 C ATOM 725 C LYS A 53 -10.218 3.623 -2.015 1.00 0.00 C ATOM 726 O LYS A 53 -9.488 2.724 -2.439 1.00 0.00 O ATOM 727 CB LYS A 53 -12.227 2.277 -2.684 1.00 0.00 C ATOM 728 CG LYS A 53 -13.732 2.219 -2.894 1.00 0.00 C ATOM 729 CD LYS A 53 -14.080 1.909 -4.341 1.00 0.00 C ATOM 730 CE LYS A 53 -15.306 2.685 -4.803 1.00 0.00 C ATOM 731 NZ LYS A 53 -15.084 3.353 -6.117 1.00 0.00 N ATOM 0 H LYS A 53 -12.516 5.340 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.253 4.127 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.731 1.873 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.961 1.633 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.162 1.457 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.178 3.172 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.232 2.154 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.263 0.840 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.156 2.007 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.563 3.434 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.943 3.869 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.290 4.020 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.864 2.636 -6.838 1.00 0.00 H new ATOM 745 N PRO A 54 -9.759 4.584 -1.191 1.00 0.00 N ATOM 746 CA PRO A 54 -8.367 4.641 -0.733 1.00 0.00 C ATOM 747 C PRO A 54 -8.051 3.588 0.332 1.00 0.00 C ATOM 748 O PRO A 54 -8.647 3.586 1.411 1.00 0.00 O ATOM 749 CB PRO A 54 -8.250 6.047 -0.146 1.00 0.00 C ATOM 750 CG PRO A 54 -9.629 6.387 0.305 1.00 0.00 C ATOM 751 CD PRO A 54 -10.566 5.694 -0.648 1.00 0.00 C ATOM 0 HA PRO A 54 -7.665 4.437 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.545 6.071 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.891 6.758 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.797 6.052 1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.788 7.465 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.457 5.328 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.904 6.366 -1.437 1.00 0.00 H new ATOM 759 N VAL A 55 -7.106 2.703 0.021 1.00 0.00 N ATOM 760 CA VAL A 55 -6.702 1.648 0.950 1.00 0.00 C ATOM 761 C VAL A 55 -5.324 1.940 1.546 1.00 0.00 C ATOM 762 O VAL A 55 -4.489 2.585 0.910 1.00 0.00 O ATOM 763 CB VAL A 55 -6.671 0.263 0.266 1.00 0.00 C ATOM 764 CG1 VAL A 55 -8.065 -0.138 -0.199 1.00 0.00 C ATOM 765 CG2 VAL A 55 -5.685 0.250 -0.897 1.00 0.00 C ATOM 0 H VAL A 55 -6.605 2.695 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.447 1.630 1.745 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.333 -0.469 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.021 -1.116 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.736 -0.184 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.437 0.599 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.683 -0.736 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.981 0.997 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.685 0.480 -0.529 1.00 0.00 H new ATOM 775 N ASP A 56 -5.093 1.466 2.769 1.00 0.00 N ATOM 776 CA ASP A 56 -3.814 1.680 3.446 1.00 0.00 C ATOM 777 C ASP A 56 -3.178 0.353 3.868 1.00 0.00 C ATOM 778 O ASP A 56 -3.791 -0.710 3.743 1.00 0.00 O ATOM 779 CB ASP A 56 -3.998 2.594 4.666 1.00 0.00 C ATOM 780 CG ASP A 56 -5.054 2.099 5.645 1.00 0.00 C ATOM 781 OD1 ASP A 56 -5.404 0.906 5.603 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.528 2.910 6.462 1.00 0.00 O ATOM 0 H ASP A 56 -5.773 0.932 3.311 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.141 2.166 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.045 2.686 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.271 3.592 4.324 1.00 0.00 H new ATOM 787 N PHE A 57 -1.939 0.426 4.359 1.00 0.00 N ATOM 788 CA PHE A 57 -1.200 -0.763 4.794 1.00 0.00 C ATOM 789 C PHE A 57 -1.943 -1.538 5.882 1.00 0.00 C ATOM 790 O PHE A 57 -1.872 -2.767 5.931 1.00 0.00 O ATOM 791 CB PHE A 57 0.194 -0.372 5.297 1.00 0.00 C ATOM 792 CG PHE A 57 1.175 -1.515 5.297 1.00 0.00 C ATOM 793 CD1 PHE A 57 1.871 -1.849 4.145 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.397 -2.256 6.447 1.00 0.00 C ATOM 795 CE1 PHE A 57 2.769 -2.899 4.142 1.00 0.00 C ATOM 796 CE2 PHE A 57 2.295 -3.307 6.449 1.00 0.00 C ATOM 797 CZ PHE A 57 2.983 -3.629 5.295 1.00 0.00 C ATOM 0 H PHE A 57 -1.424 1.300 4.466 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.106 -1.416 3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.585 0.432 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.109 0.023 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.709 -1.282 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.862 -2.009 7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.304 -3.149 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.459 -3.876 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.686 -4.449 5.294 1.00 0.00 H new ATOM 807 N LYS A 58 -2.644 -0.820 6.755 1.00 0.00 N ATOM 808 CA LYS A 58 -3.385 -1.454 7.846 1.00 0.00 C ATOM 809 C LYS A 58 -4.563 -2.268 7.318 1.00 0.00 C ATOM 810 O LYS A 58 -4.819 -3.377 7.786 1.00 0.00 O ATOM 811 CB LYS A 58 -3.864 -0.395 8.844 1.00 0.00 C ATOM 812 CG LYS A 58 -2.752 0.537 9.298 1.00 0.00 C ATOM 813 CD LYS A 58 -1.995 -0.029 10.491 1.00 0.00 C ATOM 814 CE LYS A 58 -2.136 0.860 11.716 1.00 0.00 C ATOM 815 NZ LYS A 58 -3.338 0.509 12.523 1.00 0.00 N ATOM 0 H LYS A 58 -2.716 0.197 6.730 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.712 -2.142 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.660 0.193 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.293 -0.891 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.059 0.705 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.175 1.506 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.369 -1.027 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.940 -0.135 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.244 0.768 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.201 1.902 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.398 1.138 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.192 0.621 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.265 -0.477 12.844 1.00 0.00 H new ATOM 829 N LYS A 59 -5.269 -1.713 6.337 1.00 0.00 N ATOM 830 CA LYS A 59 -6.418 -2.387 5.738 1.00 0.00 C ATOM 831 C LYS A 59 -6.001 -3.689 5.054 1.00 0.00 C ATOM 832 O LYS A 59 -6.634 -4.726 5.249 1.00 0.00 O ATOM 833 CB LYS A 59 -7.106 -1.466 4.726 1.00 0.00 C ATOM 834 CG LYS A 59 -8.561 -1.825 4.462 1.00 0.00 C ATOM 835 CD LYS A 59 -9.352 -0.625 3.964 1.00 0.00 C ATOM 836 CE LYS A 59 -9.614 0.375 5.081 1.00 0.00 C ATOM 837 NZ LYS A 59 -9.997 1.715 4.554 1.00 0.00 N ATOM 0 H LYS A 59 -5.065 -0.796 5.939 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.117 -2.629 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.054 -0.439 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.556 -1.500 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.611 -2.626 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.014 -2.206 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.804 -0.136 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.301 -0.962 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.409 -0.001 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.721 0.470 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.166 2.365 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.229 2.087 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.864 1.630 3.986 1.00 0.00 H new ATOM 851 N ILE A 60 -4.935 -3.629 4.253 1.00 0.00 N ATOM 852 CA ILE A 60 -4.443 -4.810 3.543 1.00 0.00 C ATOM 853 C ILE A 60 -3.920 -5.862 4.522 1.00 0.00 C ATOM 854 O ILE A 60 -4.242 -7.045 4.399 1.00 0.00 O ATOM 855 CB ILE A 60 -3.323 -4.454 2.536 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.759 -3.295 1.633 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.950 -5.672 1.695 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.656 -2.296 1.355 1.00 0.00 C ATOM 0 H ILE A 60 -4.398 -2.779 4.081 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.291 -5.216 2.991 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.444 -4.141 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.120 -3.698 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.598 -2.778 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.161 -5.402 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.597 -6.471 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.825 -6.015 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.037 -1.504 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.311 -1.864 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.825 -2.799 0.860 1.00 0.00 H new ATOM 870 N LYS A 61 -3.116 -5.424 5.494 1.00 0.00 N ATOM 871 CA LYS A 61 -2.553 -6.330 6.495 1.00 0.00 C ATOM 872 C LYS A 61 -3.655 -7.043 7.281 1.00 0.00 C ATOM 873 O LYS A 61 -3.554 -8.240 7.555 1.00 0.00 O ATOM 874 CB LYS A 61 -1.633 -5.566 7.453 1.00 0.00 C ATOM 875 CG LYS A 61 -0.413 -6.359 7.894 1.00 0.00 C ATOM 876 CD LYS A 61 0.622 -6.463 6.782 1.00 0.00 C ATOM 877 CE LYS A 61 1.774 -7.374 7.176 1.00 0.00 C ATOM 878 NZ LYS A 61 2.579 -7.806 5.998 1.00 0.00 N ATOM 0 H LYS A 61 -2.841 -4.448 5.608 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.969 -7.085 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.302 -4.647 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.204 -5.274 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.036 -5.882 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.720 -7.359 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.148 -6.844 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.006 -5.470 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.420 -6.855 7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.381 -8.253 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.105 -8.671 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.945 -7.996 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.249 -7.053 5.740 1.00 0.00 H new ATOM 892 N GLU A 62 -4.707 -6.305 7.640 1.00 0.00 N ATOM 893 CA GLU A 62 -5.825 -6.877 8.388 1.00 0.00 C ATOM 894 C GLU A 62 -6.664 -7.804 7.506 1.00 0.00 C ATOM 895 O GLU A 62 -7.069 -8.884 7.939 1.00 0.00 O ATOM 896 CB GLU A 62 -6.709 -5.766 8.968 1.00 0.00 C ATOM 897 CG GLU A 62 -6.510 -5.546 10.460 1.00 0.00 C ATOM 898 CD GLU A 62 -5.477 -4.475 10.758 1.00 0.00 C ATOM 899 OE1 GLU A 62 -5.832 -3.278 10.715 1.00 0.00 O ATOM 900 OE2 GLU A 62 -4.312 -4.834 11.033 1.00 0.00 O ATOM 0 H GLU A 62 -4.807 -5.313 7.425 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.410 -7.465 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.501 -4.835 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.755 -6.011 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.461 -5.265 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.201 -6.483 10.924 1.00 0.00 H new ATOM 907 N ARG A 63 -6.930 -7.373 6.272 1.00 0.00 N ATOM 908 CA ARG A 63 -7.731 -8.164 5.335 1.00 0.00 C ATOM 909 C ARG A 63 -7.052 -9.490 4.997 1.00 0.00 C ATOM 910 O ARG A 63 -7.697 -10.539 5.011 1.00 0.00 O ATOM 911 CB ARG A 63 -7.996 -7.373 4.050 1.00 0.00 C ATOM 912 CG ARG A 63 -9.471 -7.115 3.786 1.00 0.00 C ATOM 913 CD ARG A 63 -9.832 -5.651 3.992 1.00 0.00 C ATOM 914 NE ARG A 63 -10.861 -5.203 3.055 1.00 0.00 N ATOM 915 CZ ARG A 63 -12.163 -5.478 3.184 1.00 0.00 C ATOM 916 NH1 ARG A 63 -12.602 -6.203 4.211 1.00 0.00 N ATOM 917 NH2 ARG A 63 -13.027 -5.028 2.281 1.00 0.00 N ATOM 0 H ARG A 63 -6.603 -6.482 5.898 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.681 -8.383 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.473 -6.418 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.574 -7.917 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.715 -7.410 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.073 -7.735 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.183 -5.505 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.939 -5.037 3.871 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.567 -4.646 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.943 -6.553 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.597 -6.408 4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.697 -4.474 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.021 -5.237 2.378 1.00 0.00 H new ATOM 931 N ILE A 64 -5.752 -9.441 4.690 1.00 0.00 N ATOM 932 CA ILE A 64 -5.002 -10.651 4.344 1.00 0.00 C ATOM 933 C ILE A 64 -5.061 -11.688 5.469 1.00 0.00 C ATOM 934 O ILE A 64 -4.988 -12.890 5.215 1.00 0.00 O ATOM 935 CB ILE A 64 -3.522 -10.350 4.002 1.00 0.00 C ATOM 936 CG1 ILE A 64 -2.790 -9.730 5.199 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.426 -9.438 2.787 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.352 -10.186 5.333 1.00 0.00 C ATOM 0 H ILE A 64 -5.201 -8.583 4.674 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.483 -11.058 3.454 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.036 -11.296 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.811 -8.644 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.328 -9.981 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.378 -9.239 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.894 -9.923 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.937 -8.498 2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.898 -9.707 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.324 -11.268 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.798 -9.911 4.435 1.00 0.00 H new ATOM 950 N ARG A 65 -5.206 -11.217 6.710 1.00 0.00 N ATOM 951 CA ARG A 65 -5.288 -12.108 7.868 1.00 0.00 C ATOM 952 C ARG A 65 -6.448 -13.098 7.721 1.00 0.00 C ATOM 953 O ARG A 65 -6.365 -14.235 8.185 1.00 0.00 O ATOM 954 CB ARG A 65 -5.459 -11.291 9.151 1.00 0.00 C ATOM 955 CG ARG A 65 -4.694 -11.853 10.340 1.00 0.00 C ATOM 956 CD ARG A 65 -3.804 -10.798 10.981 1.00 0.00 C ATOM 957 NE ARG A 65 -2.860 -10.221 10.023 1.00 0.00 N ATOM 958 CZ ARG A 65 -1.728 -10.816 9.636 1.00 0.00 C ATOM 959 NH1 ARG A 65 -1.392 -12.010 10.118 1.00 0.00 N ATOM 960 NH2 ARG A 65 -0.929 -10.215 8.760 1.00 0.00 N ATOM 0 H ARG A 65 -5.269 -10.225 6.938 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.359 -12.675 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.128 -10.269 8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.519 -11.242 9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.398 -12.234 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.084 -12.696 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.425 -10.006 11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.253 -11.243 11.809 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.080 -9.308 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.001 -12.479 10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.526 -12.456 9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.180 -9.301 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.065 -10.668 8.464 1.00 0.00 H new ATOM 974 N ASN A 66 -7.525 -12.654 7.071 1.00 0.00 N ATOM 975 CA ASN A 66 -8.703 -13.494 6.855 1.00 0.00 C ATOM 976 C ASN A 66 -8.611 -14.276 5.534 1.00 0.00 C ATOM 977 O ASN A 66 -9.606 -14.841 5.075 1.00 0.00 O ATOM 978 CB ASN A 66 -9.970 -12.631 6.865 1.00 0.00 C ATOM 979 CG ASN A 66 -10.641 -12.595 8.227 1.00 0.00 C ATOM 980 OD1 ASN A 66 -11.816 -12.935 8.360 1.00 0.00 O ATOM 981 ND2 ASN A 66 -9.897 -12.180 9.248 1.00 0.00 N ATOM 0 H ASN A 66 -7.605 -11.714 6.684 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.748 -14.219 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.716 -11.615 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.674 -13.017 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.297 -12.135 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.926 -11.907 9.094 1.00 0.00 H new ATOM 988 N HIS A 67 -7.418 -14.298 4.925 1.00 0.00 N ATOM 989 CA HIS A 67 -7.202 -15.001 3.659 1.00 0.00 C ATOM 990 C HIS A 67 -7.941 -14.306 2.511 1.00 0.00 C ATOM 991 O HIS A 67 -8.561 -14.957 1.669 1.00 0.00 O ATOM 992 CB HIS A 67 -7.642 -16.468 3.769 1.00 0.00 C ATOM 993 CG HIS A 67 -6.589 -17.441 3.331 1.00 0.00 C ATOM 994 ND1 HIS A 67 -6.346 -17.743 2.006 1.00 0.00 N ATOM 995 CD2 HIS A 67 -5.712 -18.181 4.050 1.00 0.00 C ATOM 996 CE1 HIS A 67 -5.367 -18.628 1.932 1.00 0.00 C ATOM 997 NE2 HIS A 67 -4.965 -18.909 3.157 1.00 0.00 N ATOM 0 H HIS A 67 -6.587 -13.835 5.292 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.134 -14.976 3.441 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.915 -16.681 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.537 -16.617 3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.618 -18.196 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.964 -19.050 1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.220 -19.561 3.401 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.859 -12.975 2.481 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.512 -12.189 1.434 1.00 0.00 C ATOM 1008 C LYS A 68 -7.689 -12.203 0.148 1.00 0.00 C ATOM 1009 O LYS A 68 -8.240 -12.321 -0.947 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.728 -10.746 1.901 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.191 -10.331 1.942 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.693 -9.907 0.569 1.00 0.00 C ATOM 1013 CE LYS A 68 -12.154 -10.285 0.367 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.568 -10.181 -1.062 1.00 0.00 N ATOM 0 H LYS A 68 -7.348 -12.420 3.168 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.482 -12.643 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.297 -10.626 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.187 -10.073 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.795 -11.160 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.317 -9.508 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.576 -8.829 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.084 -10.378 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.316 -11.304 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.784 -9.635 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.569 -10.447 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.438 -9.203 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.986 -10.820 -1.640 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.368 -12.084 0.286 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.473 -12.083 -0.867 1.00 0.00 C ATOM 1030 C TYR A 69 -4.896 -13.475 -1.112 1.00 0.00 C ATOM 1031 O TYR A 69 -4.303 -14.079 -0.216 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.337 -11.079 -0.661 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.732 -9.646 -0.942 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -4.637 -9.116 -2.225 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -5.195 -8.822 0.075 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -4.994 -7.806 -2.484 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -5.555 -7.510 -0.177 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.453 -7.006 -1.458 1.00 0.00 C ATOM 1039 OH TYR A 69 -5.808 -5.698 -1.707 1.00 0.00 O ATOM 0 H TYR A 69 -5.896 -11.987 1.185 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.054 -11.790 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.980 -11.153 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.503 -11.350 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.278 -9.738 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.275 -9.211 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.914 -7.410 -3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.914 -6.883 0.625 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.537 -5.453 -2.616 1.00 0.00 H new ATOM 1049 N ARG A 70 -5.072 -13.974 -2.334 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.567 -15.293 -2.710 1.00 0.00 C ATOM 1051 C ARG A 70 -3.530 -15.185 -3.827 1.00 0.00 C ATOM 1052 O ARG A 70 -2.489 -15.843 -3.784 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.720 -16.197 -3.151 1.00 0.00 C ATOM 1054 CG ARG A 70 -6.355 -16.977 -2.008 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.291 -18.479 -2.248 1.00 0.00 C ATOM 1056 NE ARG A 70 -7.621 -19.066 -2.412 1.00 0.00 N ATOM 1057 CZ ARG A 70 -8.323 -19.027 -3.550 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -7.828 -18.425 -4.629 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -9.524 -19.591 -3.608 1.00 0.00 N ATOM 0 H ARG A 70 -5.562 -13.483 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.085 -15.731 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.485 -15.588 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.354 -16.899 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.845 -16.735 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.395 -16.671 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.695 -18.679 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.784 -18.958 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.039 -19.534 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.907 -17.989 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.370 -18.400 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.911 -20.053 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.060 -19.562 -4.475 1.00 0.00 H new ATOM 1073 N SER A 71 -3.822 -14.350 -4.826 1.00 0.00 N ATOM 1074 CA SER A 71 -2.917 -14.151 -5.954 1.00 0.00 C ATOM 1075 C SER A 71 -2.008 -12.947 -5.715 1.00 0.00 C ATOM 1076 O SER A 71 -2.485 -11.833 -5.488 1.00 0.00 O ATOM 1077 CB SER A 71 -3.714 -13.959 -7.249 1.00 0.00 C ATOM 1078 OG SER A 71 -3.558 -15.069 -8.116 1.00 0.00 O ATOM 0 H SER A 71 -4.680 -13.801 -4.875 1.00 0.00 H new ATOM 0 HA SER A 71 -2.294 -15.040 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.770 -13.824 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.382 -13.051 -7.753 1.00 0.00 H new ATOM 0 HG SER A 71 -4.078 -14.921 -8.933 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.695 -13.178 -5.773 1.00 0.00 N ATOM 1085 CA LEU A 72 0.288 -12.113 -5.568 1.00 0.00 C ATOM 1086 C LEU A 72 0.117 -11.003 -6.608 1.00 0.00 C ATOM 1087 O LEU A 72 0.367 -9.831 -6.320 1.00 0.00 O ATOM 1088 CB LEU A 72 1.712 -12.674 -5.633 1.00 0.00 C ATOM 1089 CG LEU A 72 1.995 -13.843 -4.682 1.00 0.00 C ATOM 1090 CD1 LEU A 72 2.609 -15.013 -5.437 1.00 0.00 C ATOM 1091 CD2 LEU A 72 2.907 -13.398 -3.547 1.00 0.00 C ATOM 0 H LEU A 72 -0.288 -14.094 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 72 0.120 -11.690 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.911 -13.000 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.413 -11.869 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 72 1.049 -14.174 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.802 -15.832 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.919 -15.348 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.546 -14.698 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.097 -14.240 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.851 -13.040 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.427 -12.595 -2.988 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.321 -11.379 -7.813 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.538 -10.415 -8.892 1.00 0.00 C ATOM 1105 C ASN A 73 -1.512 -9.319 -8.458 1.00 0.00 C ATOM 1106 O ASN A 73 -1.286 -8.137 -8.721 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.079 -11.122 -10.138 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.515 -10.546 -11.423 1.00 0.00 C ATOM 1109 OD1 ASN A 73 -0.949 -9.491 -11.885 1.00 0.00 O ATOM 1110 ND2 ASN A 73 0.458 -11.236 -12.008 1.00 0.00 N ATOM 0 H ASN A 73 -0.532 -12.345 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 73 0.421 -9.955 -9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.838 -12.184 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.166 -11.042 -10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.875 -10.895 -12.874 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.788 -12.106 -11.591 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.593 -9.725 -7.787 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.605 -8.784 -7.309 1.00 0.00 C ATOM 1119 C ASP A 74 -3.019 -7.823 -6.275 1.00 0.00 C ATOM 1120 O ASP A 74 -3.339 -6.635 -6.270 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.798 -9.536 -6.704 1.00 0.00 C ATOM 1122 CG ASP A 74 -6.119 -8.815 -6.913 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.120 -7.567 -6.971 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -7.156 -9.503 -7.017 1.00 0.00 O ATOM 0 H ASP A 74 -2.789 -10.701 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.948 -8.203 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.858 -10.530 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.630 -9.674 -5.636 1.00 0.00 H new ATOM 1129 N LEU A 75 -2.156 -8.343 -5.403 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.522 -7.525 -4.371 1.00 0.00 C ATOM 1131 C LEU A 75 -0.541 -6.530 -4.991 1.00 0.00 C ATOM 1132 O LEU A 75 -0.486 -5.369 -4.587 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.799 -8.413 -3.352 1.00 0.00 C ATOM 1134 CG LEU A 75 -0.633 -7.800 -1.959 1.00 0.00 C ATOM 1135 CD1 LEU A 75 -1.772 -8.226 -1.045 1.00 0.00 C ATOM 1136 CD2 LEU A 75 0.709 -8.197 -1.360 1.00 0.00 C ATOM 0 H LEU A 75 -1.881 -9.325 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.303 -6.964 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.347 -9.350 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.188 -8.659 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.661 -6.715 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.635 -7.779 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.720 -7.892 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.778 -9.312 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.811 -7.753 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.764 -9.283 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.514 -7.840 -2.002 1.00 0.00 H new ATOM 1148 N GLU A 76 0.231 -6.994 -5.978 1.00 0.00 N ATOM 1149 CA GLU A 76 1.210 -6.145 -6.657 1.00 0.00 C ATOM 1150 C GLU A 76 0.528 -4.973 -7.365 1.00 0.00 C ATOM 1151 O GLU A 76 0.951 -3.824 -7.226 1.00 0.00 O ATOM 1152 CB GLU A 76 2.020 -6.964 -7.666 1.00 0.00 C ATOM 1153 CG GLU A 76 3.495 -6.593 -7.703 1.00 0.00 C ATOM 1154 CD GLU A 76 4.200 -7.098 -8.949 1.00 0.00 C ATOM 1155 OE1 GLU A 76 3.877 -6.611 -10.053 1.00 0.00 O ATOM 1156 OE2 GLU A 76 5.081 -7.973 -8.818 1.00 0.00 O ATOM 0 H GLU A 76 0.196 -7.953 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 76 1.884 -5.744 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.926 -8.022 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.594 -6.826 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.593 -5.509 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.989 -7.001 -6.821 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.530 -5.274 -8.123 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.272 -4.244 -8.852 1.00 0.00 C ATOM 1165 C LYS A 77 -1.935 -3.254 -7.892 1.00 0.00 C ATOM 1166 O LYS A 77 -2.085 -2.076 -8.214 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.331 -4.879 -9.764 1.00 0.00 C ATOM 1168 CG LYS A 77 -3.368 -5.714 -9.027 1.00 0.00 C ATOM 1169 CD LYS A 77 -4.356 -6.358 -9.988 1.00 0.00 C ATOM 1170 CE LYS A 77 -3.718 -7.503 -10.760 1.00 0.00 C ATOM 1171 NZ LYS A 77 -4.718 -8.264 -11.560 1.00 0.00 N ATOM 0 H LYS A 77 -0.891 -6.220 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.557 -3.699 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.842 -4.089 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.831 -5.508 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.866 -6.489 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.906 -5.084 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.217 -6.728 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.726 -5.608 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.948 -7.108 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.222 -8.178 -10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.241 -9.035 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.439 -8.663 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.173 -7.626 -12.244 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.324 -3.740 -6.710 1.00 0.00 N ATOM 1186 CA ASP A 78 -2.969 -2.898 -5.703 1.00 0.00 C ATOM 1187 C ASP A 78 -2.019 -1.803 -5.218 1.00 0.00 C ATOM 1188 O ASP A 78 -2.402 -0.636 -5.135 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.434 -3.749 -4.514 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.566 -3.101 -3.738 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -4.310 -2.097 -3.038 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.707 -3.602 -3.824 1.00 0.00 O ATOM 0 H ASP A 78 -2.203 -4.713 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.836 -2.425 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.759 -4.725 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.592 -3.921 -3.844 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.781 -2.187 -4.903 1.00 0.00 N ATOM 1198 CA VAL A 79 0.223 -1.234 -4.428 1.00 0.00 C ATOM 1199 C VAL A 79 0.484 -0.149 -5.472 1.00 0.00 C ATOM 1200 O VAL A 79 0.524 1.039 -5.146 1.00 0.00 O ATOM 1201 CB VAL A 79 1.553 -1.935 -4.074 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.520 -0.959 -3.419 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.302 -3.136 -3.170 1.00 0.00 C ATOM 0 H VAL A 79 -0.450 -3.150 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.178 -0.775 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 79 2.007 -2.292 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.450 -1.474 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.728 -0.137 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.076 -0.565 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.251 -3.617 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.822 -2.804 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.653 -3.847 -3.682 1.00 0.00 H new ATOM 1213 N MET A 80 0.649 -0.564 -6.728 1.00 0.00 N ATOM 1214 CA MET A 80 0.893 0.376 -7.820 1.00 0.00 C ATOM 1215 C MET A 80 -0.321 1.286 -8.024 1.00 0.00 C ATOM 1216 O MET A 80 -0.176 2.478 -8.295 1.00 0.00 O ATOM 1217 CB MET A 80 1.216 -0.377 -9.114 1.00 0.00 C ATOM 1218 CG MET A 80 2.596 -1.020 -9.118 1.00 0.00 C ATOM 1219 SD MET A 80 2.758 -2.315 -10.362 1.00 0.00 S ATOM 1220 CE MET A 80 4.282 -3.100 -9.841 1.00 0.00 C ATOM 0 H MET A 80 0.618 -1.543 -7.013 1.00 0.00 H new ATOM 0 HA MET A 80 1.751 0.995 -7.556 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.464 -1.150 -9.272 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.144 0.314 -9.954 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.349 -0.253 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.799 -1.441 -8.133 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.953 -3.195 -10.695 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.759 -2.494 -9.071 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.063 -4.090 -9.440 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.518 0.713 -7.878 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.762 1.468 -8.030 1.00 0.00 C ATOM 1232 C LEU A 81 -2.897 2.528 -6.937 1.00 0.00 C ATOM 1233 O LEU A 81 -3.341 3.646 -7.200 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.965 0.518 -7.986 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.237 1.038 -8.666 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -6.054 -0.120 -9.219 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.070 1.864 -7.692 1.00 0.00 C ATOM 0 H LEU A 81 -1.651 -0.273 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.736 1.972 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.681 -0.423 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.195 0.297 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.944 1.682 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.954 0.266 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.460 -0.668 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.335 -0.788 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.968 2.223 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.354 1.245 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.485 2.715 -7.343 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.507 2.169 -5.712 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.585 3.088 -4.575 1.00 0.00 C ATOM 1251 C LEU A 82 -1.739 4.338 -4.824 1.00 0.00 C ATOM 1252 O LEU A 82 -2.189 5.458 -4.580 1.00 0.00 O ATOM 1253 CB LEU A 82 -2.126 2.385 -3.291 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.083 3.268 -2.041 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -3.486 3.687 -1.631 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -1.383 2.540 -0.900 1.00 0.00 C ATOM 0 H LEU A 82 -2.134 1.248 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.624 3.396 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.792 1.544 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.131 1.972 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.515 4.168 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.433 4.314 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.950 4.248 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.082 2.800 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.361 3.181 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.924 1.623 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.363 2.295 -1.196 1.00 0.00 H new ATOM 1268 N CYS A 83 -0.517 4.139 -5.321 1.00 0.00 N ATOM 1269 CA CYS A 83 0.381 5.255 -5.615 1.00 0.00 C ATOM 1270 C CYS A 83 -0.191 6.127 -6.732 1.00 0.00 C ATOM 1271 O CYS A 83 -0.091 7.354 -6.685 1.00 0.00 O ATOM 1272 CB CYS A 83 1.771 4.741 -6.009 1.00 0.00 C ATOM 1273 SG CYS A 83 3.136 5.748 -5.381 1.00 0.00 S ATOM 0 H CYS A 83 -0.128 3.219 -5.527 1.00 0.00 H new ATOM 0 HA CYS A 83 0.475 5.860 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.887 3.721 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.836 4.698 -7.096 1.00 0.00 H new ATOM 0 HG CYS A 83 4.142 5.675 -6.201 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.785 5.483 -7.738 1.00 0.00 N ATOM 1280 CA GLN A 84 -1.369 6.195 -8.873 1.00 0.00 C ATOM 1281 C GLN A 84 -2.426 7.208 -8.425 1.00 0.00 C ATOM 1282 O GLN A 84 -2.379 8.371 -8.829 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.978 5.208 -9.873 1.00 0.00 C ATOM 1284 CG GLN A 84 -1.780 5.621 -11.325 1.00 0.00 C ATOM 1285 CD GLN A 84 -0.603 4.922 -11.982 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -0.735 4.343 -13.059 1.00 0.00 O ATOM 1287 NE2 GLN A 84 0.558 4.972 -11.335 1.00 0.00 N ATOM 0 H GLN A 84 -0.874 4.468 -7.789 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.564 6.745 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.534 4.225 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.045 5.111 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.687 5.400 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.629 6.699 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.624 5.463 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.382 4.519 -11.730 1.00 0.00 H new ATOM 1296 N ASN A 85 -3.378 6.770 -7.593 1.00 0.00 N ATOM 1297 CA ASN A 85 -4.433 7.665 -7.108 1.00 0.00 C ATOM 1298 C ASN A 85 -3.872 8.717 -6.146 1.00 0.00 C ATOM 1299 O ASN A 85 -4.437 9.803 -6.010 1.00 0.00 O ATOM 1300 CB ASN A 85 -5.576 6.881 -6.440 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.118 5.970 -5.315 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.072 4.750 -5.473 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -4.790 6.554 -4.167 1.00 0.00 N ATOM 0 H ASN A 85 -3.439 5.813 -7.245 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.841 8.180 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.308 7.587 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.084 6.282 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.486 5.987 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.842 7.569 -4.078 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.754 8.398 -5.488 1.00 0.00 N ATOM 1311 CA ALA A 86 -2.124 9.332 -4.557 1.00 0.00 C ATOM 1312 C ALA A 86 -1.613 10.569 -5.292 1.00 0.00 C ATOM 1313 O ALA A 86 -1.769 11.693 -4.813 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.985 8.658 -3.801 1.00 0.00 C ATOM 0 H ALA A 86 -2.270 7.505 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.878 9.646 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.531 9.372 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.374 7.810 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.234 8.309 -4.510 1.00 0.00 H new ATOM 1320 N GLN A 87 -1.006 10.353 -6.459 1.00 0.00 N ATOM 1321 CA GLN A 87 -0.473 11.449 -7.267 1.00 0.00 C ATOM 1322 C GLN A 87 -1.597 12.280 -7.889 1.00 0.00 C ATOM 1323 O GLN A 87 -1.500 13.505 -7.964 1.00 0.00 O ATOM 1324 CB GLN A 87 0.445 10.908 -8.366 1.00 0.00 C ATOM 1325 CG GLN A 87 1.581 10.042 -7.840 1.00 0.00 C ATOM 1326 CD GLN A 87 2.867 10.226 -8.624 1.00 0.00 C ATOM 1327 OE1 GLN A 87 3.078 9.581 -9.651 1.00 0.00 O ATOM 1328 NE2 GLN A 87 3.733 11.110 -8.143 1.00 0.00 N ATOM 0 H GLN A 87 -0.871 9.428 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 87 0.104 12.096 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.149 10.325 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.866 11.746 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.761 10.283 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.283 8.994 -7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.517 11.623 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.614 11.277 -8.628 1.00 0.00 H new ATOM 1337 N THR A 88 -2.664 11.611 -8.333 1.00 0.00 N ATOM 1338 CA THR A 88 -3.800 12.304 -8.943 1.00 0.00 C ATOM 1339 C THR A 88 -4.455 13.272 -7.953 1.00 0.00 C ATOM 1340 O THR A 88 -5.036 14.281 -8.355 1.00 0.00 O ATOM 1341 CB THR A 88 -4.836 11.301 -9.463 1.00 0.00 C ATOM 1342 OG1 THR A 88 -5.160 10.341 -8.472 1.00 0.00 O ATOM 1343 CG2 THR A 88 -4.376 10.551 -10.695 1.00 0.00 C ATOM 0 H THR A 88 -2.765 10.597 -8.282 1.00 0.00 H new ATOM 0 HA THR A 88 -3.419 12.881 -9.786 1.00 0.00 H new ATOM 0 HB THR A 88 -5.707 11.902 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.744 10.595 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.155 9.858 -11.011 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.173 11.260 -11.498 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.467 9.995 -10.464 1.00 0.00 H new ATOM 1351 N PHE A 89 -4.350 12.966 -6.657 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.925 13.820 -5.621 1.00 0.00 C ATOM 1353 C PHE A 89 -3.943 14.924 -5.226 1.00 0.00 C ATOM 1354 O PHE A 89 -4.335 16.082 -5.070 1.00 0.00 O ATOM 1355 CB PHE A 89 -5.309 12.992 -4.390 1.00 0.00 C ATOM 1356 CG PHE A 89 -6.221 13.717 -3.437 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -7.597 13.674 -3.606 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -5.703 14.447 -2.379 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -8.437 14.343 -2.735 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -6.539 15.118 -1.506 1.00 0.00 C ATOM 1361 CZ PHE A 89 -7.908 15.065 -1.685 1.00 0.00 C ATOM 0 H PHE A 89 -3.874 12.136 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.826 14.282 -6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.796 12.073 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.402 12.701 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.017 13.112 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.634 14.492 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.507 14.300 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.123 15.683 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.563 15.588 -1.004 1.00 0.00 H new ATOM 1371 N ASN A 90 -2.669 14.560 -5.067 1.00 0.00 N ATOM 1372 CA ASN A 90 -1.640 15.526 -4.690 1.00 0.00 C ATOM 1373 C ASN A 90 -0.554 15.623 -5.763 1.00 0.00 C ATOM 1374 O ASN A 90 0.125 14.640 -6.067 1.00 0.00 O ATOM 1375 CB ASN A 90 -1.019 15.144 -3.342 1.00 0.00 C ATOM 1376 CG ASN A 90 -0.969 16.311 -2.370 1.00 0.00 C ATOM 1377 OD1 ASN A 90 -1.288 16.162 -1.191 1.00 0.00 O ATOM 1378 ND2 ASN A 90 -0.564 17.480 -2.857 1.00 0.00 N ATOM 0 H ASN A 90 -2.328 13.607 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.114 16.503 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.594 14.331 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.009 14.768 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.509 18.295 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.308 17.561 -3.841 1.00 0.00 H new ATOM 1385 N LEU A 91 -0.395 16.823 -6.329 1.00 0.00 N ATOM 1386 CA LEU A 91 0.605 17.068 -7.367 1.00 0.00 C ATOM 1387 C LEU A 91 2.021 17.051 -6.784 1.00 0.00 C ATOM 1388 O LEU A 91 2.211 16.787 -5.594 1.00 0.00 O ATOM 1389 CB LEU A 91 0.338 18.417 -8.047 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.152 18.333 -9.497 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.220 19.384 -9.761 1.00 0.00 C ATOM 1392 CD2 LEU A 91 1.011 18.496 -10.466 1.00 0.00 C ATOM 0 H LEU A 91 -0.950 17.642 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 91 0.529 16.269 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.403 18.960 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.256 19.005 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.593 17.348 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.556 19.309 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.065 19.220 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.805 20.376 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.643 18.433 -11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.483 19.466 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.741 17.705 -10.294 1.00 0.00 H new ATOM 1404 N GLU A 92 3.010 17.338 -7.632 1.00 0.00 N ATOM 1405 CA GLU A 92 4.405 17.361 -7.206 1.00 0.00 C ATOM 1406 C GLU A 92 4.736 18.667 -6.492 1.00 0.00 C ATOM 1407 O GLU A 92 4.405 19.755 -6.971 1.00 0.00 O ATOM 1408 CB GLU A 92 5.346 17.160 -8.401 1.00 0.00 C ATOM 1409 CG GLU A 92 5.197 18.204 -9.502 1.00 0.00 C ATOM 1410 CD GLU A 92 6.342 19.204 -9.538 1.00 0.00 C ATOM 1411 OE1 GLU A 92 7.506 18.788 -9.354 1.00 0.00 O ATOM 1412 OE2 GLU A 92 6.073 20.403 -9.759 1.00 0.00 O ATOM 0 H GLU A 92 2.868 17.557 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 92 4.551 16.538 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.376 17.171 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.167 16.173 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.133 17.699 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.259 18.741 -9.361 1.00 0.00 H new ATOM 1419 N GLY A 93 5.384 18.542 -5.341 1.00 0.00 N ATOM 1420 CA GLY A 93 5.756 19.709 -4.558 1.00 0.00 C ATOM 1421 C GLY A 93 5.590 19.497 -3.061 1.00 0.00 C ATOM 1422 O GLY A 93 6.281 20.134 -2.263 1.00 0.00 O ATOM 0 H GLY A 93 5.661 17.649 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.794 19.966 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.147 20.558 -4.869 1.00 0.00 H new ATOM 1426 N SER A 94 4.672 18.608 -2.677 1.00 0.00 N ATOM 1427 CA SER A 94 4.416 18.323 -1.269 1.00 0.00 C ATOM 1428 C SER A 94 5.186 17.087 -0.803 1.00 0.00 C ATOM 1429 O SER A 94 5.736 16.339 -1.616 1.00 0.00 O ATOM 1430 CB SER A 94 2.915 18.119 -1.036 1.00 0.00 C ATOM 1431 OG SER A 94 2.295 17.537 -2.170 1.00 0.00 O ATOM 0 H SER A 94 4.094 18.073 -3.325 1.00 0.00 H new ATOM 0 HA SER A 94 4.760 19.178 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.763 17.479 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.445 19.077 -0.813 1.00 0.00 H new ATOM 0 HG SER A 94 1.758 16.766 -1.890 1.00 0.00 H new ATOM 1437 N LEU A 95 5.215 16.881 0.513 1.00 0.00 N ATOM 1438 CA LEU A 95 5.910 15.737 1.107 1.00 0.00 C ATOM 1439 C LEU A 95 5.321 14.414 0.610 1.00 0.00 C ATOM 1440 O LEU A 95 6.045 13.434 0.431 1.00 0.00 O ATOM 1441 CB LEU A 95 5.835 15.800 2.638 1.00 0.00 C ATOM 1442 CG LEU A 95 7.175 16.038 3.344 1.00 0.00 C ATOM 1443 CD1 LEU A 95 6.996 16.967 4.537 1.00 0.00 C ATOM 1444 CD2 LEU A 95 7.789 14.716 3.783 1.00 0.00 C ATOM 0 H LEU A 95 4.763 17.494 1.192 1.00 0.00 H new ATOM 0 HA LEU A 95 6.954 15.785 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.146 16.596 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.409 14.866 3.004 1.00 0.00 H new ATOM 0 HG LEU A 95 7.854 16.516 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.958 17.123 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.602 17.925 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.299 16.519 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.740 14.904 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.111 14.211 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.956 14.085 2.910 1.00 0.00 H new ATOM 1456 N ILE A 96 4.004 14.398 0.381 1.00 0.00 N ATOM 1457 CA ILE A 96 3.319 13.200 -0.103 1.00 0.00 C ATOM 1458 C ILE A 96 3.916 12.725 -1.429 1.00 0.00 C ATOM 1459 O ILE A 96 4.071 11.524 -1.654 1.00 0.00 O ATOM 1460 CB ILE A 96 1.800 13.444 -0.287 1.00 0.00 C ATOM 1461 CG1 ILE A 96 1.177 13.974 1.010 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.105 12.162 -0.724 1.00 0.00 C ATOM 1463 CD1 ILE A 96 1.021 15.481 1.040 1.00 0.00 C ATOM 0 H ILE A 96 3.393 15.202 0.524 1.00 0.00 H new ATOM 0 HA ILE A 96 3.460 12.429 0.655 1.00 0.00 H new ATOM 0 HB ILE A 96 1.665 14.195 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.199 13.514 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.796 13.665 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.039 12.351 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.527 11.824 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.251 11.392 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.574 15.782 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.999 15.950 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.377 15.797 0.219 1.00 0.00 H new ATOM 1475 N TYR A 97 4.253 13.674 -2.304 1.00 0.00 N ATOM 1476 CA TYR A 97 4.838 13.350 -3.603 1.00 0.00 C ATOM 1477 C TYR A 97 6.152 12.583 -3.435 1.00 0.00 C ATOM 1478 O TYR A 97 6.366 11.557 -4.086 1.00 0.00 O ATOM 1479 CB TYR A 97 5.074 14.624 -4.417 1.00 0.00 C ATOM 1480 CG TYR A 97 5.625 14.368 -5.805 1.00 0.00 C ATOM 1481 CD1 TYR A 97 4.778 14.058 -6.862 1.00 0.00 C ATOM 1482 CD2 TYR A 97 6.990 14.433 -6.056 1.00 0.00 C ATOM 1483 CE1 TYR A 97 5.276 13.822 -8.129 1.00 0.00 C ATOM 1484 CE2 TYR A 97 7.495 14.199 -7.320 1.00 0.00 C ATOM 1485 CZ TYR A 97 6.635 13.894 -8.353 1.00 0.00 C ATOM 1486 OH TYR A 97 7.133 13.660 -9.616 1.00 0.00 O ATOM 0 H TYR A 97 4.130 14.672 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 97 4.134 12.714 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.134 15.168 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.766 15.268 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.713 14.001 -6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.667 14.670 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.604 13.582 -8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.559 14.255 -7.498 1.00 0.00 H new ATOM 0 HH TYR A 97 8.109 13.751 -9.605 1.00 0.00 H new ATOM 1496 N GLU A 98 7.021 13.079 -2.550 1.00 0.00 N ATOM 1497 CA GLU A 98 8.308 12.434 -2.291 1.00 0.00 C ATOM 1498 C GLU A 98 8.094 11.018 -1.759 1.00 0.00 C ATOM 1499 O GLU A 98 8.804 10.087 -2.143 1.00 0.00 O ATOM 1500 CB GLU A 98 9.130 13.248 -1.284 1.00 0.00 C ATOM 1501 CG GLU A 98 9.698 14.541 -1.856 1.00 0.00 C ATOM 1502 CD GLU A 98 11.022 14.943 -1.224 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.197 14.721 -0.006 1.00 0.00 O ATOM 1504 OE2 GLU A 98 11.883 15.484 -1.950 1.00 0.00 O ATOM 0 H GLU A 98 6.856 13.924 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 98 8.858 12.383 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.502 13.486 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.951 12.632 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.836 14.426 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.975 15.344 -1.711 1.00 0.00 H new ATOM 1511 N ASP A 99 7.101 10.868 -0.883 1.00 0.00 N ATOM 1512 CA ASP A 99 6.770 9.572 -0.299 1.00 0.00 C ATOM 1513 C ASP A 99 6.366 8.567 -1.377 1.00 0.00 C ATOM 1514 O ASP A 99 6.747 7.397 -1.319 1.00 0.00 O ATOM 1515 CB ASP A 99 5.636 9.726 0.711 1.00 0.00 C ATOM 1516 CG ASP A 99 5.863 8.894 1.954 1.00 0.00 C ATOM 1517 OD1 ASP A 99 6.648 9.332 2.821 1.00 0.00 O ATOM 1518 OD2 ASP A 99 5.268 7.799 2.051 1.00 0.00 O ATOM 0 H ASP A 99 6.509 11.634 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 99 7.659 9.195 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.540 10.775 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.695 9.433 0.246 1.00 0.00 H new ATOM 1523 N SER A 100 5.594 9.032 -2.360 1.00 0.00 N ATOM 1524 CA SER A 100 5.139 8.174 -3.451 1.00 0.00 C ATOM 1525 C SER A 100 6.326 7.596 -4.215 1.00 0.00 C ATOM 1526 O SER A 100 6.311 6.430 -4.610 1.00 0.00 O ATOM 1527 CB SER A 100 4.234 8.958 -4.406 1.00 0.00 C ATOM 1528 OG SER A 100 3.118 9.499 -3.721 1.00 0.00 O ATOM 0 H SER A 100 5.272 9.998 -2.422 1.00 0.00 H new ATOM 0 HA SER A 100 4.569 7.351 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.803 9.762 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.891 8.303 -5.207 1.00 0.00 H new ATOM 0 HG SER A 100 3.422 10.183 -3.089 1.00 0.00 H new ATOM 1534 N ILE A 101 7.356 8.419 -4.413 1.00 0.00 N ATOM 1535 CA ILE A 101 8.556 7.985 -5.123 1.00 0.00 C ATOM 1536 C ILE A 101 9.286 6.894 -4.340 1.00 0.00 C ATOM 1537 O ILE A 101 9.758 5.914 -4.920 1.00 0.00 O ATOM 1538 CB ILE A 101 9.528 9.159 -5.388 1.00 0.00 C ATOM 1539 CG1 ILE A 101 8.790 10.342 -6.030 1.00 0.00 C ATOM 1540 CG2 ILE A 101 10.678 8.705 -6.276 1.00 0.00 C ATOM 1541 CD1 ILE A 101 8.053 9.988 -7.305 1.00 0.00 C ATOM 0 H ILE A 101 7.382 9.387 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 101 8.226 7.588 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 101 9.935 9.489 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.078 10.746 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.509 11.132 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.353 9.542 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.221 7.899 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.284 8.349 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.557 10.876 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.762 9.612 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.308 9.221 -7.094 1.00 0.00 H new ATOM 1553 N VAL A 102 9.367 7.065 -3.018 1.00 0.00 N ATOM 1554 CA VAL A 102 10.032 6.090 -2.155 1.00 0.00 C ATOM 1555 C VAL A 102 9.351 4.725 -2.247 1.00 0.00 C ATOM 1556 O VAL A 102 10.022 3.697 -2.363 1.00 0.00 O ATOM 1557 CB VAL A 102 10.050 6.546 -0.678 1.00 0.00 C ATOM 1558 CG1 VAL A 102 10.916 5.615 0.158 1.00 0.00 C ATOM 1559 CG2 VAL A 102 10.539 7.986 -0.560 1.00 0.00 C ATOM 0 H VAL A 102 8.980 7.869 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 102 11.060 6.011 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 102 9.030 6.503 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.917 5.952 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 102 10.517 4.602 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.936 5.623 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.543 8.284 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.549 8.061 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.875 8.643 -1.122 1.00 0.00 H new ATOM 1569 N LEU A 103 8.018 4.722 -2.197 1.00 0.00 N ATOM 1570 CA LEU A 103 7.249 3.479 -2.279 1.00 0.00 C ATOM 1571 C LEU A 103 7.548 2.737 -3.580 1.00 0.00 C ATOM 1572 O LEU A 103 7.693 1.515 -3.586 1.00 0.00 O ATOM 1573 CB LEU A 103 5.749 3.768 -2.176 1.00 0.00 C ATOM 1574 CG LEU A 103 5.177 3.739 -0.757 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.598 4.979 0.018 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.658 3.623 -0.798 1.00 0.00 C ATOM 0 H LEU A 103 7.450 5.564 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 103 7.546 2.846 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.553 4.749 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.212 3.038 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 103 5.577 2.865 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.181 4.938 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.686 5.019 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.230 5.869 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.267 3.604 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.242 4.478 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.377 2.704 -1.312 1.00 0.00 H new ATOM 1588 N GLN A 104 7.646 3.485 -4.678 1.00 0.00 N ATOM 1589 CA GLN A 104 7.938 2.894 -5.982 1.00 0.00 C ATOM 1590 C GLN A 104 9.340 2.286 -5.998 1.00 0.00 C ATOM 1591 O GLN A 104 9.545 1.203 -6.543 1.00 0.00 O ATOM 1592 CB GLN A 104 7.815 3.944 -7.090 1.00 0.00 C ATOM 1593 CG GLN A 104 6.479 4.670 -7.097 1.00 0.00 C ATOM 1594 CD GLN A 104 5.747 4.533 -8.418 1.00 0.00 C ATOM 1595 OE1 GLN A 104 6.164 5.092 -9.432 1.00 0.00 O ATOM 1596 NE2 GLN A 104 4.647 3.787 -8.413 1.00 0.00 N ATOM 0 H GLN A 104 7.528 4.498 -4.690 1.00 0.00 H new ATOM 0 HA GLN A 104 7.210 2.103 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.615 4.675 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.961 3.460 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.852 4.277 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.643 5.726 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.337 3.341 -7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.113 3.660 -9.273 1.00 0.00 H new ATOM 1605 N SER A 105 10.299 2.990 -5.393 1.00 0.00 N ATOM 1606 CA SER A 105 11.681 2.519 -5.337 1.00 0.00 C ATOM 1607 C SER A 105 11.790 1.205 -4.558 1.00 0.00 C ATOM 1608 O SER A 105 12.451 0.266 -5.006 1.00 0.00 O ATOM 1609 CB SER A 105 12.583 3.583 -4.702 1.00 0.00 C ATOM 1610 OG SER A 105 13.068 4.491 -5.678 1.00 0.00 O ATOM 0 H SER A 105 10.142 3.888 -4.935 1.00 0.00 H new ATOM 0 HA SER A 105 12.012 2.336 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.027 4.128 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.422 3.101 -4.201 1.00 0.00 H new ATOM 0 HG SER A 105 13.639 5.160 -5.247 1.00 0.00 H new ATOM 1616 N VAL A 106 11.141 1.139 -3.392 1.00 0.00 N ATOM 1617 CA VAL A 106 11.176 -0.074 -2.572 1.00 0.00 C ATOM 1618 C VAL A 106 10.406 -1.214 -3.240 1.00 0.00 C ATOM 1619 O VAL A 106 10.837 -2.368 -3.199 1.00 0.00 O ATOM 1620 CB VAL A 106 10.614 0.160 -1.147 1.00 0.00 C ATOM 1621 CG1 VAL A 106 11.477 1.153 -0.381 1.00 0.00 C ATOM 1622 CG2 VAL A 106 9.165 0.632 -1.194 1.00 0.00 C ATOM 0 H VAL A 106 10.591 1.902 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 106 12.227 -0.350 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 106 10.638 -0.794 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.063 1.301 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 106 12.492 0.765 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.495 2.105 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.800 0.787 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 106 9.105 1.569 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.553 -0.122 -1.689 1.00 0.00 H new ATOM 1632 N PHE A 107 9.270 -0.886 -3.857 1.00 0.00 N ATOM 1633 CA PHE A 107 8.449 -1.887 -4.534 1.00 0.00 C ATOM 1634 C PHE A 107 9.162 -2.456 -5.762 1.00 0.00 C ATOM 1635 O PHE A 107 9.112 -3.661 -6.009 1.00 0.00 O ATOM 1636 CB PHE A 107 7.098 -1.291 -4.939 1.00 0.00 C ATOM 1637 CG PHE A 107 5.963 -2.277 -4.871 1.00 0.00 C ATOM 1638 CD1 PHE A 107 5.608 -2.864 -3.667 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.255 -2.621 -6.014 1.00 0.00 C ATOM 1640 CE1 PHE A 107 4.569 -3.773 -3.602 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.217 -3.530 -5.953 1.00 0.00 C ATOM 1642 CZ PHE A 107 3.874 -4.106 -4.747 1.00 0.00 C ATOM 0 H PHE A 107 8.899 0.063 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 107 8.280 -2.704 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 107 6.873 -0.445 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.171 -0.902 -5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.150 -2.608 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.518 -2.173 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.301 -4.222 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.674 -3.790 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.062 -4.817 -4.699 1.00 0.00 H new ATOM 1652 N THR A 108 9.831 -1.586 -6.524 1.00 0.00 N ATOM 1653 CA THR A 108 10.556 -2.020 -7.720 1.00 0.00 C ATOM 1654 C THR A 108 11.662 -3.002 -7.349 1.00 0.00 C ATOM 1655 O THR A 108 11.920 -3.960 -8.075 1.00 0.00 O ATOM 1656 CB THR A 108 11.153 -0.824 -8.470 1.00 0.00 C ATOM 1657 OG1 THR A 108 11.781 0.076 -7.575 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.131 -0.042 -9.264 1.00 0.00 C ATOM 0 H THR A 108 9.885 -0.585 -6.336 1.00 0.00 H new ATOM 0 HA THR A 108 9.843 -2.518 -8.377 1.00 0.00 H new ATOM 0 HB THR A 108 11.875 -1.256 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.105 0.656 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.622 0.790 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.669 -0.695 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.365 0.343 -8.591 1.00 0.00 H new ATOM 1666 N SER A 109 12.307 -2.761 -6.208 1.00 0.00 N ATOM 1667 CA SER A 109 13.376 -3.634 -5.735 1.00 0.00 C ATOM 1668 C SER A 109 12.832 -5.028 -5.427 1.00 0.00 C ATOM 1669 O SER A 109 13.494 -6.033 -5.697 1.00 0.00 O ATOM 1670 CB SER A 109 14.043 -3.039 -4.493 1.00 0.00 C ATOM 1671 OG SER A 109 15.130 -2.202 -4.850 1.00 0.00 O ATOM 0 H SER A 109 12.107 -1.970 -5.596 1.00 0.00 H new ATOM 0 HA SER A 109 14.123 -3.720 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.312 -2.467 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.395 -3.842 -3.846 1.00 0.00 H new ATOM 0 HG SER A 109 15.538 -1.833 -4.039 1.00 0.00 H new ATOM 1677 N VAL A 110 11.620 -5.085 -4.870 1.00 0.00 N ATOM 1678 CA VAL A 110 10.993 -6.363 -4.537 1.00 0.00 C ATOM 1679 C VAL A 110 10.670 -7.161 -5.798 1.00 0.00 C ATOM 1680 O VAL A 110 11.008 -8.341 -5.893 1.00 0.00 O ATOM 1681 CB VAL A 110 9.695 -6.179 -3.719 1.00 0.00 C ATOM 1682 CG1 VAL A 110 9.184 -7.526 -3.225 1.00 0.00 C ATOM 1683 CG2 VAL A 110 9.916 -5.226 -2.552 1.00 0.00 C ATOM 0 H VAL A 110 11.057 -4.265 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 110 11.715 -6.909 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 110 8.940 -5.740 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.269 -7.380 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.977 -8.172 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.939 -7.992 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.987 -5.114 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.688 -5.627 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.231 -4.254 -2.931 1.00 0.00 H new ATOM 1693 N ARG A 111 10.013 -6.514 -6.764 1.00 0.00 N ATOM 1694 CA ARG A 111 9.646 -7.177 -8.015 1.00 0.00 C ATOM 1695 C ARG A 111 10.882 -7.539 -8.843 1.00 0.00 C ATOM 1696 O ARG A 111 10.899 -8.566 -9.520 1.00 0.00 O ATOM 1697 CB ARG A 111 8.693 -6.301 -8.840 1.00 0.00 C ATOM 1698 CG ARG A 111 9.247 -4.926 -9.181 1.00 0.00 C ATOM 1699 CD ARG A 111 8.864 -4.501 -10.590 1.00 0.00 C ATOM 1700 NE ARG A 111 9.990 -3.900 -11.305 1.00 0.00 N ATOM 1701 CZ ARG A 111 10.051 -3.775 -12.633 1.00 0.00 C ATOM 1702 NH1 ARG A 111 9.051 -4.201 -13.400 1.00 0.00 N ATOM 1703 NH2 ARG A 111 11.120 -3.220 -13.195 1.00 0.00 N ATOM 0 H ARG A 111 9.726 -5.537 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 111 9.132 -8.102 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.449 -6.822 -9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.761 -6.178 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.872 -4.194 -8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.333 -4.937 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.503 -5.367 -11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.042 -3.787 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 111 10.777 -3.555 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.228 -4.628 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.107 -4.101 -14.414 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.890 -2.891 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.170 -3.123 -14.209 1.00 0.00 H new ATOM 1717 N GLN A 112 11.915 -6.697 -8.783 1.00 0.00 N ATOM 1718 CA GLN A 112 13.149 -6.943 -9.529 1.00 0.00 C ATOM 1719 C GLN A 112 13.889 -8.165 -8.985 1.00 0.00 C ATOM 1720 O GLN A 112 14.288 -9.047 -9.747 1.00 0.00 O ATOM 1721 CB GLN A 112 14.060 -5.712 -9.485 1.00 0.00 C ATOM 1722 CG GLN A 112 13.959 -4.843 -10.729 1.00 0.00 C ATOM 1723 CD GLN A 112 13.929 -3.360 -10.408 1.00 0.00 C ATOM 1724 OE1 GLN A 112 12.883 -2.716 -10.503 1.00 0.00 O ATOM 1725 NE2 GLN A 112 15.077 -2.810 -10.027 1.00 0.00 N ATOM 0 H GLN A 112 11.921 -5.842 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 112 12.877 -7.143 -10.565 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.807 -5.113 -8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.093 -6.037 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.806 -5.052 -11.383 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.057 -5.109 -11.281 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.919 -3.381 -9.962 1.00 0.00 H new ATOM 0 HE22 GLN A 112 15.116 -1.816 -9.799 1.00 0.00 H new ATOM 1734 N LYS A 113 14.072 -8.211 -7.665 1.00 0.00 N ATOM 1735 CA LYS A 113 14.767 -9.328 -7.024 1.00 0.00 C ATOM 1736 C LYS A 113 13.944 -10.614 -7.106 1.00 0.00 C ATOM 1737 O LYS A 113 14.461 -11.664 -7.491 1.00 0.00 O ATOM 1738 CB LYS A 113 15.081 -8.997 -5.562 1.00 0.00 C ATOM 1739 CG LYS A 113 16.239 -9.803 -4.987 1.00 0.00 C ATOM 1740 CD LYS A 113 17.583 -9.169 -5.315 1.00 0.00 C ATOM 1741 CE LYS A 113 18.728 -9.888 -4.613 1.00 0.00 C ATOM 1742 NZ LYS A 113 19.121 -11.144 -5.317 1.00 0.00 N ATOM 0 H LYS A 113 13.750 -7.490 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 113 15.703 -9.488 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.313 -7.935 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.191 -9.176 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.127 -9.880 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.209 -10.818 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.744 -9.193 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.574 -8.121 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.589 -9.223 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.434 -10.124 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.903 -11.599 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 18.307 -11.791 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.427 -10.918 -6.285 1.00 0.00 H new ATOM 1756 N ILE A 114 12.662 -10.527 -6.738 1.00 0.00 N ATOM 1757 CA ILE A 114 11.770 -11.686 -6.765 1.00 0.00 C ATOM 1758 C ILE A 114 11.653 -12.273 -8.176 1.00 0.00 C ATOM 1759 O ILE A 114 11.620 -13.493 -8.345 1.00 0.00 O ATOM 1760 CB ILE A 114 10.363 -11.328 -6.223 1.00 0.00 C ATOM 1761 CG1 ILE A 114 9.599 -12.599 -5.838 1.00 0.00 C ATOM 1762 CG2 ILE A 114 9.570 -10.513 -7.236 1.00 0.00 C ATOM 1763 CD1 ILE A 114 9.274 -12.684 -4.363 1.00 0.00 C ATOM 0 H ILE A 114 12.220 -9.665 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 114 12.211 -12.441 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 114 10.493 -10.715 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.672 -12.643 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.191 -13.469 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.588 -10.278 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.102 -9.587 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.451 -11.089 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.733 -13.609 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.198 -12.672 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.656 -11.833 -4.077 1.00 0.00 H new ATOM 1775 N GLU A 115 11.599 -11.399 -9.183 1.00 0.00 N ATOM 1776 CA GLU A 115 11.498 -11.831 -10.577 1.00 0.00 C ATOM 1777 C GLU A 115 12.798 -12.493 -11.036 1.00 0.00 C ATOM 1778 O GLU A 115 12.776 -13.470 -11.787 1.00 0.00 O ATOM 1779 CB GLU A 115 11.164 -10.641 -11.483 1.00 0.00 C ATOM 1780 CG GLU A 115 10.866 -11.027 -12.926 1.00 0.00 C ATOM 1781 CD GLU A 115 10.034 -9.987 -13.659 1.00 0.00 C ATOM 1782 OE1 GLU A 115 9.065 -9.469 -13.064 1.00 0.00 O ATOM 1783 OE2 GLU A 115 10.351 -9.694 -14.831 1.00 0.00 O ATOM 0 H GLU A 115 11.624 -10.387 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 115 10.694 -12.564 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.302 -10.115 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.000 -9.941 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.806 -11.174 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.339 -11.981 -12.940 1.00 0.00 H new