USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ -170:sc= -1.69 (180deg=-2.38!) USER MOD Set 1.2: A 60 SER OG : rot 70:sc= -0.666 USER MOD Set 1.3: A 62 MET CE :methyl -165:sc= -8.41! (180deg=-4.72!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.0643 (180deg=-0.844) USER MOD Single : A 42 HIS : no HE2:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 45 CYS SG : rot -16:sc= -9.38! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : +bothHN:sc= -2.48! C(o=-2.5!,f=-18!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 179:sc= -16.6! (180deg=-16.7!) USER MOD Single : A 55 MET CE :methyl -162:sc= -8.66! (180deg=-9.44!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.691 K(o=-0.69,f=-6!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.89 F(o=-4.8!,f=-1.9) USER MOD Single : A 71 TYR OH : rot 130:sc= -3.33! USER MOD Single : A 72 SER OG : rot 100:sc= -2.5! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -9.72 K(o=-9.7,f=-11!) USER MOD Single : A 85 MET CE :methyl -152:sc= -0.43 (180deg=-0.861) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -158:sc= -2.13 (180deg=-2.21!) USER MOD Single : A 95 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.9!) USER MOD Single : A 104 SER OG : rot 53:sc= 0.915 USER MOD Single : A 106 MET CE :methyl -147:sc= -0.169 (180deg=-1.09) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0357) USER MOD Single : A 118 THR OG1 : rot -63:sc= 0.659 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -18.5! C(o=-18!,f=-22!) USER MOD Single : A 126 MET CE :methyl 140:sc= -8.65! (180deg=-10.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 82.848 -9.188 -13.166 1.00 0.00 N ATOM 2 CA GLY A 28 82.383 -10.351 -13.975 1.00 0.00 C ATOM 3 C GLY A 28 82.543 -11.636 -13.160 1.00 0.00 C ATOM 4 O GLY A 28 83.166 -12.585 -13.596 1.00 0.00 O ATOM 0 HA2 GLY A 28 81.340 -10.216 -14.259 1.00 0.00 H new ATOM 0 HA3 GLY A 28 82.959 -10.419 -14.898 1.00 0.00 H new ATOM 10 N SER A 29 81.987 -11.676 -11.981 1.00 0.00 N ATOM 11 CA SER A 29 82.108 -12.901 -11.139 1.00 0.00 C ATOM 12 C SER A 29 81.879 -14.152 -11.992 1.00 0.00 C ATOM 13 O SER A 29 80.821 -14.344 -12.557 1.00 0.00 O ATOM 14 CB SER A 29 81.014 -12.765 -10.081 1.00 0.00 C ATOM 15 OG SER A 29 81.561 -13.027 -8.797 1.00 0.00 O ATOM 0 H SER A 29 81.454 -10.913 -11.563 1.00 0.00 H new ATOM 0 HA SER A 29 83.097 -12.999 -10.691 1.00 0.00 H new ATOM 0 HB2 SER A 29 80.589 -11.762 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 29 80.202 -13.461 -10.291 1.00 0.00 H new ATOM 0 HG SER A 29 80.860 -12.938 -8.118 1.00 0.00 H new ATOM 21 N GLY A 30 82.863 -15.003 -12.090 1.00 0.00 N ATOM 22 CA GLY A 30 82.700 -16.238 -12.906 1.00 0.00 C ATOM 23 C GLY A 30 82.809 -17.470 -11.999 1.00 0.00 C ATOM 24 O GLY A 30 83.044 -17.342 -10.814 1.00 0.00 O ATOM 0 H GLY A 30 83.772 -14.896 -11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 81.733 -16.229 -13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 83.464 -16.277 -13.683 1.00 0.00 H new ATOM 28 N PRO A 31 82.633 -18.628 -12.587 1.00 0.00 N ATOM 29 CA PRO A 31 82.713 -19.893 -11.818 1.00 0.00 C ATOM 30 C PRO A 31 84.108 -20.064 -11.208 1.00 0.00 C ATOM 31 O PRO A 31 85.027 -20.528 -11.853 1.00 0.00 O ATOM 32 CB PRO A 31 82.448 -20.956 -12.889 1.00 0.00 C ATOM 33 CG PRO A 31 82.224 -20.251 -14.241 1.00 0.00 C ATOM 34 CD PRO A 31 82.346 -18.736 -14.037 1.00 0.00 C ATOM 0 HA PRO A 31 82.016 -19.942 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 31 83.292 -21.643 -12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 31 81.574 -21.550 -12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 31 82.958 -20.593 -14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 31 81.240 -20.500 -14.638 1.00 0.00 H new ATOM 0 HD2 PRO A 31 83.146 -18.309 -14.642 1.00 0.00 H new ATOM 0 HD3 PRO A 31 81.428 -18.215 -14.309 1.00 0.00 H new ATOM 42 N LYS A 32 84.273 -19.690 -9.969 1.00 0.00 N ATOM 43 CA LYS A 32 85.608 -19.830 -9.320 1.00 0.00 C ATOM 44 C LYS A 32 85.445 -20.039 -7.812 1.00 0.00 C ATOM 45 O LYS A 32 85.624 -19.128 -7.026 1.00 0.00 O ATOM 46 CB LYS A 32 86.328 -18.511 -9.603 1.00 0.00 C ATOM 47 CG LYS A 32 87.817 -18.779 -9.824 1.00 0.00 C ATOM 48 CD LYS A 32 88.264 -18.131 -11.136 1.00 0.00 C ATOM 49 CE LYS A 32 89.288 -17.035 -10.842 1.00 0.00 C ATOM 50 NZ LYS A 32 90.160 -16.992 -12.049 1.00 0.00 N ATOM 0 H LYS A 32 83.542 -19.294 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 32 86.163 -20.687 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 32 85.899 -18.032 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 32 86.191 -17.824 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.397 -18.378 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 32 88.003 -19.853 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 32 88.699 -18.882 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 32 87.404 -17.710 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 32 88.801 -16.075 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 32 89.865 -17.263 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 90.890 -16.262 -11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 90.615 -17.918 -12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 89.584 -16.766 -12.885 1.00 0.00 H new ATOM 64 N GLY A 33 85.106 -21.230 -7.402 1.00 0.00 N ATOM 65 CA GLY A 33 84.932 -21.496 -5.947 1.00 0.00 C ATOM 66 C GLY A 33 83.557 -20.999 -5.497 1.00 0.00 C ATOM 67 O GLY A 33 82.570 -21.165 -6.187 1.00 0.00 O ATOM 0 H GLY A 33 84.942 -22.031 -8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.027 -22.563 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 33 85.715 -20.994 -5.379 1.00 0.00 H new ATOM 71 N GLY A 34 83.483 -20.390 -4.346 1.00 0.00 N ATOM 72 CA GLY A 34 82.171 -19.882 -3.853 1.00 0.00 C ATOM 73 C GLY A 34 82.284 -18.387 -3.551 1.00 0.00 C ATOM 74 O GLY A 34 82.548 -17.585 -4.425 1.00 0.00 O ATOM 0 H GLY A 34 84.274 -20.222 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 81.397 -20.055 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 34 81.873 -20.424 -2.955 1.00 0.00 H new ATOM 78 N GLY A 35 82.086 -18.004 -2.318 1.00 0.00 N ATOM 79 CA GLY A 35 82.181 -16.562 -1.961 1.00 0.00 C ATOM 80 C GLY A 35 82.780 -16.423 -0.560 1.00 0.00 C ATOM 81 O GLY A 35 82.088 -16.527 0.433 1.00 0.00 O ATOM 0 H GLY A 35 81.863 -18.629 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 35 82.801 -16.036 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 35 81.193 -16.102 -1.993 1.00 0.00 H new ATOM 85 N ASN A 36 84.060 -16.189 -0.473 1.00 0.00 N ATOM 86 CA ASN A 36 84.701 -16.046 0.866 1.00 0.00 C ATOM 87 C ASN A 36 85.257 -14.630 1.039 1.00 0.00 C ATOM 88 O ASN A 36 85.473 -14.171 2.141 1.00 0.00 O ATOM 89 CB ASN A 36 85.836 -17.070 0.873 1.00 0.00 C ATOM 90 CG ASN A 36 85.789 -17.875 2.172 1.00 0.00 C ATOM 91 OD1 ASN A 36 85.491 -17.339 3.221 1.00 0.00 O ATOM 92 ND2 ASN A 36 86.072 -19.149 2.147 1.00 0.00 N ATOM 0 H ASN A 36 84.690 -16.091 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 36 83.996 -16.212 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.743 -17.737 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 36 86.797 -16.564 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 36 86.043 -19.695 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 36 86.322 -19.599 1.266 1.00 0.00 H new ATOM 99 N ALA A 37 85.485 -13.934 -0.041 1.00 0.00 N ATOM 100 CA ALA A 37 86.023 -12.550 0.051 1.00 0.00 C ATOM 101 C ALA A 37 85.275 -11.656 -0.934 1.00 0.00 C ATOM 102 O ALA A 37 84.798 -12.118 -1.941 1.00 0.00 O ATOM 103 CB ALA A 37 87.497 -12.667 -0.336 1.00 0.00 C ATOM 0 H ALA A 37 85.320 -14.269 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 37 85.907 -12.115 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.964 -11.683 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 37 88.003 -13.340 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.577 -13.061 -1.349 1.00 0.00 H new ATOM 109 N VAL A 38 85.145 -10.394 -0.630 1.00 0.00 N ATOM 110 CA VAL A 38 84.409 -9.453 -1.534 1.00 0.00 C ATOM 111 C VAL A 38 84.994 -8.042 -1.377 1.00 0.00 C ATOM 112 O VAL A 38 85.497 -7.713 -0.320 1.00 0.00 O ATOM 113 CB VAL A 38 82.959 -9.504 -1.055 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.545 -10.960 -0.832 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.827 -8.731 0.259 1.00 0.00 C ATOM 0 H VAL A 38 85.521 -9.966 0.216 1.00 0.00 H new ATOM 0 HA VAL A 38 84.488 -9.719 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 38 82.313 -9.053 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.511 -10.996 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.638 -11.512 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.192 -11.411 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.792 -8.768 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.474 -9.181 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.121 -7.693 0.102 1.00 0.00 H new ATOM 125 N LYS A 39 84.962 -7.184 -2.380 1.00 0.00 N ATOM 126 CA LYS A 39 85.553 -5.843 -2.153 1.00 0.00 C ATOM 127 C LYS A 39 84.484 -4.912 -1.585 1.00 0.00 C ATOM 128 O LYS A 39 83.555 -4.520 -2.259 1.00 0.00 O ATOM 129 CB LYS A 39 85.983 -5.387 -3.535 1.00 0.00 C ATOM 130 CG LYS A 39 87.232 -4.513 -3.424 1.00 0.00 C ATOM 131 CD LYS A 39 88.282 -5.263 -2.609 1.00 0.00 C ATOM 132 CE LYS A 39 89.618 -5.248 -3.357 1.00 0.00 C ATOM 133 NZ LYS A 39 89.381 -6.062 -4.585 1.00 0.00 N ATOM 0 H LYS A 39 84.567 -7.355 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 39 86.384 -5.849 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.187 -6.252 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.177 -4.828 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.619 -4.279 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.988 -3.565 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 39 88.397 -4.799 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.960 -6.290 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.918 -4.231 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.416 -5.674 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.250 -6.576 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.615 -6.742 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.113 -5.435 -5.370 1.00 0.00 H new ATOM 147 N VAL A 40 84.599 -4.587 -0.326 1.00 0.00 N ATOM 148 CA VAL A 40 83.577 -3.718 0.316 1.00 0.00 C ATOM 149 C VAL A 40 84.105 -2.309 0.585 1.00 0.00 C ATOM 150 O VAL A 40 85.155 -2.121 1.168 1.00 0.00 O ATOM 151 CB VAL A 40 83.244 -4.410 1.637 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.406 -5.658 1.360 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.534 -4.806 2.356 1.00 0.00 C ATOM 0 H VAL A 40 85.359 -4.887 0.285 1.00 0.00 H new ATOM 0 HA VAL A 40 82.709 -3.595 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 40 82.679 -3.725 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.168 -6.153 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.483 -5.372 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 40 82.969 -6.341 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 84.290 -5.299 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 40 85.106 -5.488 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 40 85.127 -3.914 2.557 1.00 0.00 H new ATOM 163 N ARG A 41 83.350 -1.324 0.193 1.00 0.00 N ATOM 164 CA ARG A 41 83.747 0.089 0.444 1.00 0.00 C ATOM 165 C ARG A 41 82.681 0.727 1.334 1.00 0.00 C ATOM 166 O ARG A 41 81.508 0.441 1.194 1.00 0.00 O ATOM 167 CB ARG A 41 83.777 0.752 -0.933 1.00 0.00 C ATOM 168 CG ARG A 41 84.785 0.027 -1.827 1.00 0.00 C ATOM 169 CD ARG A 41 84.906 0.764 -3.163 1.00 0.00 C ATOM 170 NE ARG A 41 84.961 -0.314 -4.190 1.00 0.00 N ATOM 171 CZ ARG A 41 85.660 -0.143 -5.278 1.00 0.00 C ATOM 172 NH1 ARG A 41 85.807 1.054 -5.778 1.00 0.00 N ATOM 173 NH2 ARG A 41 86.213 -1.169 -5.868 1.00 0.00 N ATOM 0 H ARG A 41 82.463 -1.438 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 41 84.712 0.189 0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.786 0.721 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.050 1.803 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.757 -0.018 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.465 -1.001 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.055 1.425 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.802 1.384 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 41 84.452 -1.186 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 41 85.375 1.855 -5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 41 86.354 1.188 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 41 86.098 -2.104 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 41 86.759 -1.035 -6.719 1.00 0.00 H new ATOM 187 N HIS A 42 83.053 1.565 2.258 1.00 0.00 N ATOM 188 CA HIS A 42 82.009 2.164 3.143 1.00 0.00 C ATOM 189 C HIS A 42 82.034 3.689 3.069 1.00 0.00 C ATOM 190 O HIS A 42 83.072 4.303 2.924 1.00 0.00 O ATOM 191 CB HIS A 42 82.337 1.711 4.571 1.00 0.00 C ATOM 192 CG HIS A 42 83.080 0.399 4.560 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.511 -0.768 4.074 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.345 0.058 4.971 1.00 0.00 C ATOM 195 CE1 HIS A 42 83.425 -1.748 4.203 1.00 0.00 C ATOM 196 NE2 HIS A 42 84.560 -1.299 4.745 1.00 0.00 N ATOM 0 H HIS A 42 84.013 1.859 2.440 1.00 0.00 H new ATOM 0 HA HIS A 42 81.015 1.841 2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.939 2.471 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.416 1.608 5.145 1.00 0.00 H new ATOM 0 HD1 HIS A 42 81.572 -0.866 3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.064 0.738 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 42 83.260 -2.773 3.904 1.00 0.00 H new ATOM 204 N ILE A 43 80.889 4.296 3.188 1.00 0.00 N ATOM 205 CA ILE A 43 80.817 5.783 3.146 1.00 0.00 C ATOM 206 C ILE A 43 79.718 6.271 4.111 1.00 0.00 C ATOM 207 O ILE A 43 78.553 5.980 3.933 1.00 0.00 O ATOM 208 CB ILE A 43 80.503 6.127 1.674 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.333 7.337 1.244 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.019 6.454 1.483 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.996 7.686 -0.207 1.00 0.00 C ATOM 0 H ILE A 43 79.993 3.824 3.313 1.00 0.00 H new ATOM 0 HA ILE A 43 81.739 6.271 3.464 1.00 0.00 H new ATOM 0 HB ILE A 43 80.751 5.257 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.123 8.187 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.396 7.117 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.831 6.692 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.416 5.593 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.752 7.310 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.585 8.548 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 43 81.228 6.836 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.935 7.923 -0.287 1.00 0.00 H new ATOM 223 N LEU A 44 80.082 6.990 5.142 1.00 0.00 N ATOM 224 CA LEU A 44 79.069 7.470 6.120 1.00 0.00 C ATOM 225 C LEU A 44 78.994 9.002 6.096 1.00 0.00 C ATOM 226 O LEU A 44 79.967 9.678 5.829 1.00 0.00 O ATOM 227 CB LEU A 44 79.592 6.951 7.472 1.00 0.00 C ATOM 228 CG LEU A 44 79.510 8.036 8.555 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.043 8.300 8.905 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.259 7.572 9.806 1.00 0.00 C ATOM 0 H LEU A 44 81.043 7.265 5.346 1.00 0.00 H new ATOM 0 HA LEU A 44 78.060 7.118 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.011 6.082 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.625 6.621 7.362 1.00 0.00 H new ATOM 0 HG LEU A 44 79.965 8.954 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 44 77.985 9.070 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.511 8.635 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.587 7.382 9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.199 8.344 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.808 6.653 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.304 7.388 9.557 1.00 0.00 H new ATOM 242 N CYS A 45 77.850 9.549 6.390 1.00 0.00 N ATOM 243 CA CYS A 45 77.715 11.030 6.405 1.00 0.00 C ATOM 244 C CYS A 45 77.217 11.493 7.777 1.00 0.00 C ATOM 245 O CYS A 45 76.041 11.711 7.976 1.00 0.00 O ATOM 246 CB CYS A 45 76.679 11.342 5.331 1.00 0.00 C ATOM 247 SG CYS A 45 77.209 10.608 3.764 1.00 0.00 S ATOM 0 H CYS A 45 77.001 9.033 6.621 1.00 0.00 H new ATOM 0 HA CYS A 45 78.662 11.536 6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.706 10.946 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.565 12.420 5.221 1.00 0.00 H new ATOM 0 HG CYS A 45 78.469 10.298 3.834 1.00 0.00 H new ATOM 253 N GLU A 46 78.101 11.640 8.724 1.00 0.00 N ATOM 254 CA GLU A 46 77.666 12.083 10.080 1.00 0.00 C ATOM 255 C GLU A 46 76.699 13.265 9.964 1.00 0.00 C ATOM 256 O GLU A 46 75.856 13.477 10.814 1.00 0.00 O ATOM 257 CB GLU A 46 78.951 12.506 10.792 1.00 0.00 C ATOM 258 CG GLU A 46 78.931 11.985 12.231 1.00 0.00 C ATOM 259 CD GLU A 46 79.719 12.940 13.129 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.208 14.010 13.415 1.00 0.00 O ATOM 261 OE2 GLU A 46 80.821 12.586 13.516 1.00 0.00 O ATOM 0 H GLU A 46 79.102 11.474 8.620 1.00 0.00 H new ATOM 0 HA GLU A 46 77.142 11.297 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.819 12.112 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 46 79.041 13.592 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.903 11.901 12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 46 79.366 10.986 12.274 1.00 0.00 H new ATOM 268 N LYS A 47 76.811 14.036 8.916 1.00 0.00 N ATOM 269 CA LYS A 47 75.896 15.201 8.744 1.00 0.00 C ATOM 270 C LYS A 47 74.600 14.755 8.063 1.00 0.00 C ATOM 271 O LYS A 47 73.610 15.459 8.069 1.00 0.00 O ATOM 272 CB LYS A 47 76.660 16.177 7.849 1.00 0.00 C ATOM 273 CG LYS A 47 77.943 16.620 8.555 1.00 0.00 C ATOM 274 CD LYS A 47 77.600 17.631 9.650 1.00 0.00 C ATOM 275 CE LYS A 47 78.759 18.617 9.814 1.00 0.00 C ATOM 276 NZ LYS A 47 78.299 19.576 10.858 1.00 0.00 N ATOM 0 H LYS A 47 77.497 13.909 8.171 1.00 0.00 H new ATOM 0 HA LYS A 47 75.619 15.653 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.901 15.702 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.038 17.044 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 47 78.449 15.757 8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 47 78.631 17.066 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.686 18.167 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.412 17.114 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.672 18.107 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.979 19.128 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.040 20.286 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.432 20.051 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.104 19.061 11.740 1.00 0.00 H new ATOM 290 N HIS A 48 74.601 13.588 7.473 1.00 0.00 N ATOM 291 CA HIS A 48 73.373 13.090 6.788 1.00 0.00 C ATOM 292 C HIS A 48 72.919 14.087 5.718 1.00 0.00 C ATOM 293 O HIS A 48 71.805 14.031 5.236 1.00 0.00 O ATOM 294 CB HIS A 48 72.323 12.972 7.891 1.00 0.00 C ATOM 295 CG HIS A 48 72.577 11.724 8.693 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.852 11.212 8.876 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.733 10.877 9.366 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.741 10.104 9.630 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.470 9.853 9.957 1.00 0.00 N ATOM 0 H HIS A 48 75.402 12.957 7.436 1.00 0.00 H new ATOM 0 HA HIS A 48 73.541 12.139 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.361 13.848 8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.324 12.940 7.455 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.718 11.605 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.660 10.987 9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.577 9.492 9.934 1.00 0.00 H new ATOM 0 HE2 HIS A 48 72.116 9.079 10.518 1.00 0.00 H new ATOM 307 N GLY A 49 73.774 14.997 5.345 1.00 0.00 N ATOM 308 CA GLY A 49 73.394 15.997 4.307 1.00 0.00 C ATOM 309 C GLY A 49 74.053 15.629 2.973 1.00 0.00 C ATOM 310 O GLY A 49 73.851 16.286 1.971 1.00 0.00 O ATOM 0 H GLY A 49 74.720 15.092 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.310 16.024 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.707 16.994 4.616 1.00 0.00 H new ATOM 314 N LYS A 50 74.839 14.587 2.953 1.00 0.00 N ATOM 315 CA LYS A 50 75.509 14.181 1.683 1.00 0.00 C ATOM 316 C LYS A 50 75.276 12.697 1.401 1.00 0.00 C ATOM 317 O LYS A 50 75.370 12.257 0.276 1.00 0.00 O ATOM 318 CB LYS A 50 76.993 14.468 1.910 1.00 0.00 C ATOM 319 CG LYS A 50 77.425 13.880 3.252 1.00 0.00 C ATOM 320 CD LYS A 50 77.341 14.959 4.334 1.00 0.00 C ATOM 321 CE LYS A 50 78.745 15.274 4.852 1.00 0.00 C ATOM 322 NZ LYS A 50 79.184 16.465 4.071 1.00 0.00 N ATOM 0 H LYS A 50 75.047 13.999 3.760 1.00 0.00 H new ATOM 0 HA LYS A 50 75.118 14.722 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.586 14.036 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.173 15.543 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.786 13.037 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.444 13.498 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.881 15.860 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.708 14.619 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.733 15.485 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.420 14.432 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 80.141 16.743 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.192 16.232 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.526 17.253 4.240 1.00 0.00 H new ATOM 336 N ILE A 51 74.961 11.918 2.398 1.00 0.00 N ATOM 337 CA ILE A 51 74.718 10.475 2.131 1.00 0.00 C ATOM 338 C ILE A 51 73.764 10.340 0.944 1.00 0.00 C ATOM 339 O ILE A 51 73.795 9.365 0.219 1.00 0.00 O ATOM 340 CB ILE A 51 74.097 9.915 3.410 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.108 8.385 3.348 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.658 10.408 3.547 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.554 7.885 3.391 1.00 0.00 C ATOM 0 H ILE A 51 74.863 12.212 3.370 1.00 0.00 H new ATOM 0 HA ILE A 51 75.630 9.933 1.879 1.00 0.00 H new ATOM 0 HB ILE A 51 74.674 10.253 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.544 7.972 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.620 8.043 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.221 10.005 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.649 11.497 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.076 10.074 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.564 6.796 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 76.104 8.288 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 51 76.026 8.215 4.317 1.00 0.00 H new ATOM 355 N MET A 52 72.932 11.325 0.723 1.00 0.00 N ATOM 356 CA MET A 52 72.004 11.261 -0.438 1.00 0.00 C ATOM 357 C MET A 52 72.690 11.894 -1.639 1.00 0.00 C ATOM 358 O MET A 52 72.493 11.495 -2.768 1.00 0.00 O ATOM 359 CB MET A 52 70.713 12.026 -0.067 1.00 0.00 C ATOM 360 CG MET A 52 70.575 12.232 1.454 1.00 0.00 C ATOM 361 SD MET A 52 70.820 13.982 1.880 1.00 0.00 S ATOM 362 CE MET A 52 72.289 14.311 0.870 1.00 0.00 C ATOM 0 H MET A 52 72.857 12.166 1.295 1.00 0.00 H new ATOM 0 HA MET A 52 71.745 10.232 -0.687 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.712 12.996 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 52 69.848 11.476 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.589 11.905 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.306 11.617 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 52 72.584 15.354 0.986 1.00 0.00 H new ATOM 0 HE2 MET A 52 73.105 13.665 1.193 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.062 14.113 -0.178 1.00 0.00 H new ATOM 372 N GLU A 53 73.549 12.833 -1.392 1.00 0.00 N ATOM 373 CA GLU A 53 74.308 13.437 -2.500 1.00 0.00 C ATOM 374 C GLU A 53 75.278 12.367 -2.937 1.00 0.00 C ATOM 375 O GLU A 53 75.638 12.253 -4.087 1.00 0.00 O ATOM 376 CB GLU A 53 75.037 14.640 -1.904 1.00 0.00 C ATOM 377 CG GLU A 53 74.786 15.866 -2.780 1.00 0.00 C ATOM 378 CD GLU A 53 75.796 16.962 -2.434 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.030 17.174 -1.255 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.320 17.568 -3.354 1.00 0.00 O ATOM 0 H GLU A 53 73.756 13.207 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 53 73.707 13.767 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.686 14.826 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.106 14.437 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 53 74.873 15.597 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 53 73.771 16.232 -2.628 1.00 0.00 H new ATOM 387 N ALA A 54 75.659 11.540 -1.999 1.00 0.00 N ATOM 388 CA ALA A 54 76.569 10.416 -2.323 1.00 0.00 C ATOM 389 C ALA A 54 75.803 9.462 -3.220 1.00 0.00 C ATOM 390 O ALA A 54 76.347 8.853 -4.118 1.00 0.00 O ATOM 391 CB ALA A 54 76.902 9.760 -0.982 1.00 0.00 C ATOM 0 H ALA A 54 75.375 11.600 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 54 77.483 10.719 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.574 8.917 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.385 10.488 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 54 75.984 9.406 -0.512 1.00 0.00 H new ATOM 397 N MET A 55 74.522 9.360 -2.995 1.00 0.00 N ATOM 398 CA MET A 55 73.690 8.477 -3.853 1.00 0.00 C ATOM 399 C MET A 55 73.618 9.089 -5.252 1.00 0.00 C ATOM 400 O MET A 55 73.761 8.412 -6.252 1.00 0.00 O ATOM 401 CB MET A 55 72.308 8.468 -3.202 1.00 0.00 C ATOM 402 CG MET A 55 72.364 7.708 -1.877 1.00 0.00 C ATOM 403 SD MET A 55 71.119 6.394 -1.889 1.00 0.00 S ATOM 404 CE MET A 55 70.933 6.237 -0.097 1.00 0.00 C ATOM 0 H MET A 55 74.018 9.850 -2.255 1.00 0.00 H new ATOM 0 HA MET A 55 74.090 7.467 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 55 71.970 9.490 -3.031 1.00 0.00 H new ATOM 0 HB3 MET A 55 71.585 8.000 -3.870 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.357 7.283 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.183 8.389 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.461 5.283 0.138 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.914 6.283 0.376 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.311 7.051 0.277 1.00 0.00 H new ATOM 414 N GLU A 56 73.409 10.377 -5.323 1.00 0.00 N ATOM 415 CA GLU A 56 73.337 11.050 -6.649 1.00 0.00 C ATOM 416 C GLU A 56 74.743 11.213 -7.225 1.00 0.00 C ATOM 417 O GLU A 56 75.044 10.732 -8.299 1.00 0.00 O ATOM 418 CB GLU A 56 72.710 12.416 -6.371 1.00 0.00 C ATOM 419 CG GLU A 56 71.186 12.301 -6.436 1.00 0.00 C ATOM 420 CD GLU A 56 70.583 13.688 -6.667 1.00 0.00 C ATOM 421 OE1 GLU A 56 70.801 14.236 -7.735 1.00 0.00 O ATOM 422 OE2 GLU A 56 69.914 14.179 -5.773 1.00 0.00 O ATOM 0 H GLU A 56 73.285 10.991 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 56 72.756 10.479 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.017 12.775 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.062 13.145 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.895 11.627 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.802 11.875 -5.509 1.00 0.00 H new ATOM 429 N LYS A 57 75.614 11.885 -6.520 1.00 0.00 N ATOM 430 CA LYS A 57 76.996 12.061 -7.043 1.00 0.00 C ATOM 431 C LYS A 57 77.520 10.715 -7.536 1.00 0.00 C ATOM 432 O LYS A 57 77.680 10.496 -8.720 1.00 0.00 O ATOM 433 CB LYS A 57 77.831 12.566 -5.865 1.00 0.00 C ATOM 434 CG LYS A 57 77.706 14.089 -5.761 1.00 0.00 C ATOM 435 CD LYS A 57 79.108 14.704 -5.730 1.00 0.00 C ATOM 436 CE LYS A 57 79.037 16.232 -5.816 1.00 0.00 C ATOM 437 NZ LYS A 57 77.909 16.536 -6.745 1.00 0.00 N ATOM 0 H LYS A 57 75.429 12.315 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 57 77.037 12.761 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.492 12.099 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 78.876 12.285 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.143 14.479 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.156 14.361 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.618 14.411 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.698 14.316 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 57 78.863 16.671 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.973 16.646 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 77.915 17.549 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.017 15.979 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 77.007 16.292 -6.288 1.00 0.00 H new ATOM 451 N LEU A 58 77.778 9.809 -6.634 1.00 0.00 N ATOM 452 CA LEU A 58 78.280 8.469 -7.050 1.00 0.00 C ATOM 453 C LEU A 58 77.506 7.982 -8.282 1.00 0.00 C ATOM 454 O LEU A 58 78.049 7.323 -9.148 1.00 0.00 O ATOM 455 CB LEU A 58 78.015 7.548 -5.854 1.00 0.00 C ATOM 456 CG LEU A 58 78.803 8.041 -4.637 1.00 0.00 C ATOM 457 CD1 LEU A 58 78.597 7.073 -3.471 1.00 0.00 C ATOM 458 CD2 LEU A 58 80.291 8.108 -4.989 1.00 0.00 C ATOM 0 H LEU A 58 77.663 9.938 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 58 79.337 8.489 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 76.949 7.530 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.306 6.526 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 58 78.452 9.033 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 58 79.158 7.423 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.537 7.024 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.949 6.081 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.854 8.459 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 80.643 7.116 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 80.437 8.797 -5.821 1.00 0.00 H new ATOM 470 N LYS A 59 76.241 8.307 -8.370 1.00 0.00 N ATOM 471 CA LYS A 59 75.439 7.868 -9.550 1.00 0.00 C ATOM 472 C LYS A 59 75.830 8.690 -10.778 1.00 0.00 C ATOM 473 O LYS A 59 76.547 8.229 -11.644 1.00 0.00 O ATOM 474 CB LYS A 59 73.985 8.146 -9.163 1.00 0.00 C ATOM 475 CG LYS A 59 73.314 6.841 -8.735 1.00 0.00 C ATOM 476 CD LYS A 59 71.886 6.795 -9.283 1.00 0.00 C ATOM 477 CE LYS A 59 70.894 6.784 -8.119 1.00 0.00 C ATOM 478 NZ LYS A 59 69.611 7.264 -8.705 1.00 0.00 N ATOM 0 H LYS A 59 75.731 8.856 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 59 75.602 6.819 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.946 8.871 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.450 8.583 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.884 5.989 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.300 6.767 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.703 7.658 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.750 5.906 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.787 5.783 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.227 7.434 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 68.878 7.285 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 69.742 8.221 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.316 6.622 -9.468 1.00 0.00 H new ATOM 492 N SER A 60 75.359 9.906 -10.848 1.00 0.00 N ATOM 493 CA SER A 60 75.687 10.794 -12.004 1.00 0.00 C ATOM 494 C SER A 60 77.115 10.539 -12.491 1.00 0.00 C ATOM 495 O SER A 60 77.332 10.100 -13.604 1.00 0.00 O ATOM 496 CB SER A 60 75.560 12.214 -11.452 1.00 0.00 C ATOM 497 OG SER A 60 74.895 12.178 -10.195 1.00 0.00 O ATOM 0 H SER A 60 74.753 10.328 -10.145 1.00 0.00 H new ATOM 0 HA SER A 60 75.029 10.619 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.548 12.661 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.004 12.839 -12.151 1.00 0.00 H new ATOM 0 HG SER A 60 75.480 11.762 -9.527 1.00 0.00 H new ATOM 503 N GLY A 61 78.093 10.802 -11.667 1.00 0.00 N ATOM 504 CA GLY A 61 79.500 10.562 -12.093 1.00 0.00 C ATOM 505 C GLY A 61 80.404 11.697 -11.605 1.00 0.00 C ATOM 506 O GLY A 61 81.241 12.187 -12.337 1.00 0.00 O ATOM 0 H GLY A 61 77.979 11.171 -10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.851 9.611 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.551 10.489 -13.179 1.00 0.00 H new ATOM 510 N MET A 62 80.262 12.110 -10.375 1.00 0.00 N ATOM 511 CA MET A 62 81.148 13.204 -9.864 1.00 0.00 C ATOM 512 C MET A 62 82.446 12.605 -9.334 1.00 0.00 C ATOM 513 O MET A 62 82.929 11.601 -9.818 1.00 0.00 O ATOM 514 CB MET A 62 80.418 13.895 -8.700 1.00 0.00 C ATOM 515 CG MET A 62 78.912 13.665 -8.756 1.00 0.00 C ATOM 516 SD MET A 62 78.270 14.185 -10.359 1.00 0.00 S ATOM 517 CE MET A 62 76.570 14.420 -9.802 1.00 0.00 C ATOM 0 H MET A 62 79.582 11.746 -9.707 1.00 0.00 H new ATOM 0 HA MET A 62 81.373 13.910 -10.663 1.00 0.00 H new ATOM 0 HB2 MET A 62 80.807 13.520 -7.754 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.623 14.965 -8.727 1.00 0.00 H new ATOM 0 HG2 MET A 62 78.690 12.611 -8.590 1.00 0.00 H new ATOM 0 HG3 MET A 62 78.420 14.223 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 62 75.910 14.489 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 62 76.270 13.575 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 62 76.502 15.339 -9.219 1.00 0.00 H new ATOM 527 N ARG A 63 83.001 13.212 -8.324 1.00 0.00 N ATOM 528 CA ARG A 63 84.254 12.687 -7.731 1.00 0.00 C ATOM 529 C ARG A 63 83.965 11.441 -6.919 1.00 0.00 C ATOM 530 O ARG A 63 83.049 11.415 -6.129 1.00 0.00 O ATOM 531 CB ARG A 63 84.708 13.768 -6.769 1.00 0.00 C ATOM 532 CG ARG A 63 84.854 15.091 -7.493 1.00 0.00 C ATOM 533 CD ARG A 63 84.274 16.199 -6.607 1.00 0.00 C ATOM 534 NE ARG A 63 85.363 17.211 -6.507 1.00 0.00 N ATOM 535 CZ ARG A 63 85.190 18.294 -5.801 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.602 18.230 -4.637 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.606 19.443 -6.259 1.00 0.00 N ATOM 0 H ARG A 63 82.635 14.056 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 63 84.988 12.443 -8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.987 13.868 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.659 13.486 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 63 85.904 15.290 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.332 15.059 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.374 16.628 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 63 83.997 15.817 -5.625 1.00 0.00 H new ATOM 0 HE ARG A 63 86.247 17.056 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.277 17.332 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.468 19.078 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.066 19.493 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.471 20.291 -5.708 1.00 0.00 H new ATOM 551 N PHE A 64 84.752 10.429 -7.062 1.00 0.00 N ATOM 552 CA PHE A 64 84.522 9.222 -6.239 1.00 0.00 C ATOM 553 C PHE A 64 85.327 9.365 -4.949 1.00 0.00 C ATOM 554 O PHE A 64 84.955 8.859 -3.908 1.00 0.00 O ATOM 555 CB PHE A 64 85.027 8.050 -7.081 1.00 0.00 C ATOM 556 CG PHE A 64 83.891 7.511 -7.916 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.606 8.082 -9.161 1.00 0.00 C ATOM 558 CD2 PHE A 64 83.122 6.441 -7.444 1.00 0.00 C ATOM 559 CE1 PHE A 64 82.553 7.583 -9.935 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.069 5.941 -8.217 1.00 0.00 C ATOM 561 CZ PHE A 64 81.783 6.512 -9.463 1.00 0.00 C ATOM 0 H PHE A 64 85.540 10.381 -7.707 1.00 0.00 H new ATOM 0 HA PHE A 64 83.477 9.074 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.844 8.375 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.422 7.266 -6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 64 84.199 8.908 -9.525 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.342 6.001 -6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 64 82.334 8.023 -10.896 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.477 5.115 -7.853 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.969 6.127 -10.060 1.00 0.00 H new ATOM 571 N ASN A 65 86.433 10.062 -5.013 1.00 0.00 N ATOM 572 CA ASN A 65 87.266 10.244 -3.793 1.00 0.00 C ATOM 573 C ASN A 65 86.859 11.503 -3.025 1.00 0.00 C ATOM 574 O ASN A 65 86.897 11.530 -1.812 1.00 0.00 O ATOM 575 CB ASN A 65 88.708 10.348 -4.291 1.00 0.00 C ATOM 576 CG ASN A 65 89.567 9.303 -3.574 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.197 8.816 -2.524 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.707 8.936 -4.095 1.00 0.00 N ATOM 0 H ASN A 65 86.792 10.510 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 65 87.139 9.414 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.745 10.189 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.099 11.348 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.285 8.242 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 65 91.020 9.343 -4.976 1.00 0.00 H new ATOM 585 N GLU A 66 86.459 12.548 -3.703 1.00 0.00 N ATOM 586 CA GLU A 66 86.054 13.769 -2.958 1.00 0.00 C ATOM 587 C GLU A 66 84.856 13.410 -2.098 1.00 0.00 C ATOM 588 O GLU A 66 84.917 13.462 -0.885 1.00 0.00 O ATOM 589 CB GLU A 66 85.685 14.817 -4.004 1.00 0.00 C ATOM 590 CG GLU A 66 86.861 15.021 -4.962 1.00 0.00 C ATOM 591 CD GLU A 66 87.843 16.022 -4.351 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.703 15.595 -3.599 1.00 0.00 O ATOM 593 OE2 GLU A 66 87.720 17.200 -4.647 1.00 0.00 O ATOM 0 H GLU A 66 86.397 12.606 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 66 86.843 14.155 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 66 84.802 14.498 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.432 15.759 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.362 14.071 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.502 15.387 -5.924 1.00 0.00 H new ATOM 600 N VAL A 67 83.774 13.000 -2.705 1.00 0.00 N ATOM 601 CA VAL A 67 82.613 12.597 -1.886 1.00 0.00 C ATOM 602 C VAL A 67 83.114 11.639 -0.818 1.00 0.00 C ATOM 603 O VAL A 67 82.981 11.888 0.359 1.00 0.00 O ATOM 604 CB VAL A 67 81.628 11.868 -2.812 1.00 0.00 C ATOM 605 CG1 VAL A 67 80.870 12.873 -3.662 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.348 10.883 -3.720 1.00 0.00 C ATOM 0 H VAL A 67 83.652 12.930 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 67 82.125 13.452 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 67 80.930 11.314 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.174 12.346 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.316 13.553 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.575 13.443 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.623 10.384 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.071 11.418 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.867 10.141 -3.113 1.00 0.00 H new ATOM 616 N ALA A 68 83.725 10.552 -1.226 1.00 0.00 N ATOM 617 CA ALA A 68 84.256 9.584 -0.234 1.00 0.00 C ATOM 618 C ALA A 68 84.919 10.364 0.890 1.00 0.00 C ATOM 619 O ALA A 68 84.676 10.121 2.054 1.00 0.00 O ATOM 620 CB ALA A 68 85.277 8.741 -0.999 1.00 0.00 C ATOM 0 H ALA A 68 83.875 10.300 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 68 83.487 8.951 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.713 8.001 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.782 8.233 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.064 9.387 -1.388 1.00 0.00 H new ATOM 626 N ALA A 69 85.723 11.330 0.545 1.00 0.00 N ATOM 627 CA ALA A 69 86.373 12.156 1.592 1.00 0.00 C ATOM 628 C ALA A 69 85.360 12.451 2.697 1.00 0.00 C ATOM 629 O ALA A 69 85.472 11.951 3.798 1.00 0.00 O ATOM 630 CB ALA A 69 86.791 13.445 0.884 1.00 0.00 C ATOM 0 H ALA A 69 85.956 11.581 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 69 87.228 11.661 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.281 14.109 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.482 13.208 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 69 85.909 13.938 0.475 1.00 0.00 H new ATOM 636 N GLN A 70 84.359 13.243 2.416 1.00 0.00 N ATOM 637 CA GLN A 70 83.348 13.523 3.477 1.00 0.00 C ATOM 638 C GLN A 70 82.192 12.536 3.427 1.00 0.00 C ATOM 639 O GLN A 70 81.825 11.946 4.423 1.00 0.00 O ATOM 640 CB GLN A 70 82.816 14.932 3.237 1.00 0.00 C ATOM 641 CG GLN A 70 83.387 15.887 4.291 1.00 0.00 C ATOM 642 CD GLN A 70 83.319 15.248 5.693 1.00 0.00 C ATOM 643 OE1 GLN A 70 82.482 14.263 5.930 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 84.038 15.654 6.586 1.00 0.00 N flip ATOM 0 H GLN A 70 84.199 13.699 1.518 1.00 0.00 H new ATOM 0 HA GLN A 70 83.817 13.428 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.092 15.270 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.727 14.933 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 70 84.421 16.132 4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.827 16.822 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.690 16.418 6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.989 15.230 7.513 1.00 0.00 H new ATOM 653 N TYR A 71 81.591 12.384 2.277 1.00 0.00 N ATOM 654 CA TYR A 71 80.429 11.465 2.163 1.00 0.00 C ATOM 655 C TYR A 71 80.718 10.205 2.968 1.00 0.00 C ATOM 656 O TYR A 71 79.828 9.566 3.491 1.00 0.00 O ATOM 657 CB TYR A 71 80.278 11.141 0.673 1.00 0.00 C ATOM 658 CG TYR A 71 79.672 12.313 -0.081 1.00 0.00 C ATOM 659 CD1 TYR A 71 79.867 13.646 0.338 1.00 0.00 C ATOM 660 CD2 TYR A 71 78.903 12.053 -1.219 1.00 0.00 C ATOM 661 CE1 TYR A 71 79.290 14.696 -0.387 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.328 13.105 -1.940 1.00 0.00 C ATOM 663 CZ TYR A 71 78.521 14.426 -1.525 1.00 0.00 C ATOM 664 OH TYR A 71 77.953 15.463 -2.236 1.00 0.00 O ATOM 0 H TYR A 71 81.857 12.858 1.414 1.00 0.00 H new ATOM 0 HA TYR A 71 79.511 11.907 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.252 10.897 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.647 10.260 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 71 80.460 13.856 1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.752 11.034 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 71 79.439 15.717 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 71 77.735 12.896 -2.818 1.00 0.00 H new ATOM 0 HH TYR A 71 78.164 15.361 -3.188 1.00 0.00 H new ATOM 674 N SER A 72 81.968 9.852 3.077 1.00 0.00 N ATOM 675 CA SER A 72 82.321 8.638 3.857 1.00 0.00 C ATOM 676 C SER A 72 82.524 8.986 5.341 1.00 0.00 C ATOM 677 O SER A 72 82.385 10.120 5.751 1.00 0.00 O ATOM 678 CB SER A 72 83.623 8.131 3.243 1.00 0.00 C ATOM 679 OG SER A 72 83.817 6.771 3.600 1.00 0.00 O ATOM 0 H SER A 72 82.755 10.350 2.662 1.00 0.00 H new ATOM 0 HA SER A 72 81.532 7.887 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.589 8.232 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.461 8.733 3.593 1.00 0.00 H new ATOM 0 HG SER A 72 83.546 6.195 2.855 1.00 0.00 H new ATOM 685 N GLU A 73 82.855 8.008 6.146 1.00 0.00 N ATOM 686 CA GLU A 73 83.076 8.256 7.605 1.00 0.00 C ATOM 687 C GLU A 73 84.413 8.956 7.818 1.00 0.00 C ATOM 688 O GLU A 73 85.246 8.503 8.580 1.00 0.00 O ATOM 689 CB GLU A 73 83.119 6.869 8.253 1.00 0.00 C ATOM 690 CG GLU A 73 84.077 5.966 7.470 1.00 0.00 C ATOM 691 CD GLU A 73 85.004 5.232 8.442 1.00 0.00 C ATOM 692 OE1 GLU A 73 85.016 5.593 9.608 1.00 0.00 O ATOM 693 OE2 GLU A 73 85.686 4.321 8.004 1.00 0.00 O ATOM 0 H GLU A 73 82.983 7.039 5.853 1.00 0.00 H new ATOM 0 HA GLU A 73 82.295 8.887 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 73 83.446 6.951 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.121 6.432 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 73 83.512 5.246 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 84.665 6.562 6.772 1.00 0.00 H new ATOM 700 N ASP A 74 84.638 10.046 7.147 1.00 0.00 N ATOM 701 CA ASP A 74 85.938 10.752 7.313 1.00 0.00 C ATOM 702 C ASP A 74 87.086 9.801 6.952 1.00 0.00 C ATOM 703 O ASP A 74 88.234 10.046 7.263 1.00 0.00 O ATOM 704 CB ASP A 74 85.991 11.132 8.792 1.00 0.00 C ATOM 705 CG ASP A 74 87.185 12.055 9.038 1.00 0.00 C ATOM 706 OD1 ASP A 74 87.847 12.404 8.074 1.00 0.00 O ATOM 707 OD2 ASP A 74 87.418 12.398 10.185 1.00 0.00 O ATOM 0 H ASP A 74 83.984 10.478 6.494 1.00 0.00 H new ATOM 0 HA ASP A 74 86.031 11.627 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 74 85.066 11.630 9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.078 10.236 9.406 1.00 0.00 H new ATOM 712 N LYS A 75 86.773 8.717 6.290 1.00 0.00 N ATOM 713 CA LYS A 75 87.826 7.739 5.892 1.00 0.00 C ATOM 714 C LYS A 75 87.679 7.403 4.404 1.00 0.00 C ATOM 715 O LYS A 75 88.413 6.603 3.857 1.00 0.00 O ATOM 716 CB LYS A 75 87.561 6.501 6.751 1.00 0.00 C ATOM 717 CG LYS A 75 88.543 5.390 6.370 1.00 0.00 C ATOM 718 CD LYS A 75 89.176 4.814 7.638 1.00 0.00 C ATOM 719 CE LYS A 75 88.571 3.438 7.928 1.00 0.00 C ATOM 720 NZ LYS A 75 89.618 2.715 8.704 1.00 0.00 N ATOM 0 H LYS A 75 85.826 8.467 6.007 1.00 0.00 H new ATOM 0 HA LYS A 75 88.835 8.124 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.669 6.749 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.536 6.159 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.025 4.604 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 75 89.317 5.784 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.256 4.730 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.004 5.484 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 87.646 3.525 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 75 88.328 2.911 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 89.278 1.761 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 90.484 2.642 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 89.823 3.237 9.580 1.00 0.00 H new ATOM 734 N ALA A 76 86.734 8.020 3.748 1.00 0.00 N ATOM 735 CA ALA A 76 86.525 7.761 2.295 1.00 0.00 C ATOM 736 C ALA A 76 86.007 6.342 2.052 1.00 0.00 C ATOM 737 O ALA A 76 86.320 5.417 2.773 1.00 0.00 O ATOM 738 CB ALA A 76 87.896 7.955 1.656 1.00 0.00 C ATOM 0 H ALA A 76 86.093 8.698 4.160 1.00 0.00 H new ATOM 0 HA ALA A 76 85.776 8.430 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.825 7.781 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.241 8.973 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 88.604 7.250 2.092 1.00 0.00 H new ATOM 744 N ARG A 77 85.217 6.175 1.027 1.00 0.00 N ATOM 745 CA ARG A 77 84.667 4.829 0.701 1.00 0.00 C ATOM 746 C ARG A 77 85.477 4.218 -0.444 1.00 0.00 C ATOM 747 O ARG A 77 86.111 3.193 -0.291 1.00 0.00 O ATOM 748 CB ARG A 77 83.224 5.099 0.272 1.00 0.00 C ATOM 749 CG ARG A 77 82.661 3.891 -0.478 1.00 0.00 C ATOM 750 CD ARG A 77 81.384 4.312 -1.207 1.00 0.00 C ATOM 751 NE ARG A 77 80.312 3.454 -0.632 1.00 0.00 N ATOM 752 CZ ARG A 77 79.285 3.118 -1.362 1.00 0.00 C ATOM 753 NH1 ARG A 77 78.951 3.845 -2.393 1.00 0.00 N ATOM 754 NH2 ARG A 77 78.591 2.056 -1.060 1.00 0.00 N ATOM 0 H ARG A 77 84.926 6.921 0.395 1.00 0.00 H new ATOM 0 HA ARG A 77 84.713 4.129 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.610 5.311 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 77 83.186 5.982 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 77 83.395 3.514 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 77 82.448 3.081 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 77 81.170 5.369 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 77 81.476 4.162 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 77 80.381 3.129 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 77 79.493 4.676 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 77 78.148 3.582 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 77 78.852 1.489 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 77 77.788 1.793 -1.630 1.00 0.00 H new ATOM 768 N GLN A 78 85.478 4.855 -1.584 1.00 0.00 N ATOM 769 CA GLN A 78 86.268 4.325 -2.729 1.00 0.00 C ATOM 770 C GLN A 78 87.751 4.374 -2.370 1.00 0.00 C ATOM 771 O GLN A 78 88.385 3.358 -2.160 1.00 0.00 O ATOM 772 CB GLN A 78 85.967 5.271 -3.888 1.00 0.00 C ATOM 773 CG GLN A 78 84.540 5.032 -4.388 1.00 0.00 C ATOM 774 CD GLN A 78 83.642 6.193 -3.955 1.00 0.00 C ATOM 775 OE1 GLN A 78 83.464 7.145 -4.688 1.00 0.00 O ATOM 776 NE2 GLN A 78 83.066 6.153 -2.784 1.00 0.00 N ATOM 0 H GLN A 78 84.967 5.718 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 78 86.019 3.294 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 78 86.082 6.306 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 78 86.679 5.109 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 78 84.535 4.941 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 78 84.156 4.094 -3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.216 5.353 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 78 82.466 6.922 -2.484 1.00 0.00 H new ATOM 785 N GLY A 79 88.304 5.553 -2.268 1.00 0.00 N ATOM 786 CA GLY A 79 89.737 5.666 -1.891 1.00 0.00 C ATOM 787 C GLY A 79 89.916 5.020 -0.517 1.00 0.00 C ATOM 788 O GLY A 79 91.008 4.674 -0.114 1.00 0.00 O ATOM 0 H GLY A 79 87.825 6.439 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.366 5.170 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.042 6.712 -1.863 1.00 0.00 H new ATOM 792 N GLY A 80 88.836 4.847 0.198 1.00 0.00 N ATOM 793 CA GLY A 80 88.915 4.215 1.542 1.00 0.00 C ATOM 794 C GLY A 80 88.636 2.717 1.411 1.00 0.00 C ATOM 795 O GLY A 80 88.696 1.985 2.376 1.00 0.00 O ATOM 0 H GLY A 80 87.898 5.119 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.902 4.377 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.192 4.674 2.216 1.00 0.00 H new ATOM 799 N ASP A 81 88.326 2.261 0.222 1.00 0.00 N ATOM 800 CA ASP A 81 88.037 0.809 0.026 1.00 0.00 C ATOM 801 C ASP A 81 88.978 -0.041 0.885 1.00 0.00 C ATOM 802 O ASP A 81 90.089 -0.344 0.494 1.00 0.00 O ATOM 803 CB ASP A 81 88.288 0.552 -1.460 1.00 0.00 C ATOM 804 CG ASP A 81 88.139 -0.943 -1.750 1.00 0.00 C ATOM 805 OD1 ASP A 81 89.028 -1.690 -1.377 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.138 -1.314 -2.340 1.00 0.00 O ATOM 0 H ASP A 81 88.261 2.833 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 81 87.020 0.548 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.582 1.123 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.287 0.889 -1.735 1.00 0.00 H new ATOM 811 N LEU A 82 88.539 -0.421 2.054 1.00 0.00 N ATOM 812 CA LEU A 82 89.399 -1.247 2.949 1.00 0.00 C ATOM 813 C LEU A 82 90.150 -2.307 2.140 1.00 0.00 C ATOM 814 O LEU A 82 91.301 -2.599 2.398 1.00 0.00 O ATOM 815 CB LEU A 82 88.425 -1.905 3.925 1.00 0.00 C ATOM 816 CG LEU A 82 88.169 -0.964 5.105 1.00 0.00 C ATOM 817 CD1 LEU A 82 87.388 0.262 4.626 1.00 0.00 C ATOM 818 CD2 LEU A 82 87.357 -1.697 6.174 1.00 0.00 C ATOM 0 H LEU A 82 87.618 -0.194 2.429 1.00 0.00 H new ATOM 0 HA LEU A 82 90.155 -0.652 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 82 87.487 -2.135 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 82 88.834 -2.850 4.282 1.00 0.00 H new ATOM 0 HG LEU A 82 89.123 -0.644 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 82 87.207 0.930 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 82 87.965 0.786 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 82 86.435 -0.056 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 82 87.174 -1.028 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.405 -2.017 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.913 -2.569 6.519 1.00 0.00 H new ATOM 830 N GLY A 83 89.510 -2.884 1.160 1.00 0.00 N ATOM 831 CA GLY A 83 90.191 -3.921 0.335 1.00 0.00 C ATOM 832 C GLY A 83 89.472 -5.261 0.499 1.00 0.00 C ATOM 833 O GLY A 83 88.385 -5.333 1.040 1.00 0.00 O ATOM 0 H GLY A 83 88.546 -2.682 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.192 -3.623 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.233 -4.016 0.640 1.00 0.00 H new ATOM 837 N TRP A 84 90.070 -6.323 0.033 1.00 0.00 N ATOM 838 CA TRP A 84 89.427 -7.663 0.156 1.00 0.00 C ATOM 839 C TRP A 84 88.913 -7.881 1.581 1.00 0.00 C ATOM 840 O TRP A 84 89.514 -7.442 2.541 1.00 0.00 O ATOM 841 CB TRP A 84 90.539 -8.658 -0.186 1.00 0.00 C ATOM 842 CG TRP A 84 90.525 -8.909 -1.654 1.00 0.00 C ATOM 843 CD1 TRP A 84 91.528 -8.600 -2.500 1.00 0.00 C ATOM 844 CD2 TRP A 84 89.474 -9.507 -2.463 1.00 0.00 C ATOM 845 NE1 TRP A 84 91.160 -8.963 -3.784 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.899 -9.527 -3.811 1.00 0.00 C ATOM 847 CE3 TRP A 84 88.205 -10.025 -2.157 1.00 0.00 C ATOM 848 CZ2 TRP A 84 89.090 -10.044 -4.824 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.390 -10.545 -3.171 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.828 -10.554 -4.503 1.00 0.00 C ATOM 0 H TRP A 84 90.979 -6.321 -0.429 1.00 0.00 H new ATOM 0 HA TRP A 84 88.564 -7.774 -0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.507 -8.261 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.391 -9.591 0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 84 92.466 -8.143 -2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.747 -8.831 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.856 -10.022 -1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 89.436 -10.050 -5.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.416 -10.942 -2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 84 87.192 -10.954 -5.279 1.00 0.00 H new ATOM 861 N MET A 85 87.800 -8.553 1.727 1.00 0.00 N ATOM 862 CA MET A 85 87.249 -8.792 3.092 1.00 0.00 C ATOM 863 C MET A 85 86.504 -10.127 3.132 1.00 0.00 C ATOM 864 O MET A 85 85.742 -10.448 2.243 1.00 0.00 O ATOM 865 CB MET A 85 86.280 -7.635 3.337 1.00 0.00 C ATOM 866 CG MET A 85 87.046 -6.434 3.897 1.00 0.00 C ATOM 867 SD MET A 85 87.681 -6.839 5.543 1.00 0.00 S ATOM 868 CE MET A 85 87.389 -5.221 6.299 1.00 0.00 C ATOM 0 H MET A 85 87.251 -8.945 0.962 1.00 0.00 H new ATOM 0 HA MET A 85 88.031 -8.838 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.783 -7.360 2.407 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.502 -7.941 4.036 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.869 -6.172 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.391 -5.564 3.952 1.00 0.00 H new ATOM 0 HE1 MET A 85 88.110 -5.058 7.100 1.00 0.00 H new ATOM 0 HE2 MET A 85 87.502 -4.442 5.545 1.00 0.00 H new ATOM 0 HE3 MET A 85 86.379 -5.187 6.707 1.00 0.00 H new ATOM 878 N THR A 86 86.717 -10.908 4.154 1.00 0.00 N ATOM 879 CA THR A 86 86.016 -12.217 4.240 1.00 0.00 C ATOM 880 C THR A 86 85.004 -12.203 5.387 1.00 0.00 C ATOM 881 O THR A 86 85.178 -11.522 6.377 1.00 0.00 O ATOM 882 CB THR A 86 87.115 -13.244 4.503 1.00 0.00 C ATOM 883 OG1 THR A 86 88.101 -12.678 5.354 1.00 0.00 O ATOM 884 CG2 THR A 86 87.752 -13.655 3.178 1.00 0.00 C ATOM 0 H THR A 86 87.344 -10.697 4.930 1.00 0.00 H new ATOM 0 HA THR A 86 85.459 -12.445 3.331 1.00 0.00 H new ATOM 0 HB THR A 86 86.686 -14.122 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.805 -13.338 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.537 -14.388 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.993 -14.092 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 86 88.182 -12.778 2.693 1.00 0.00 H new ATOM 892 N ARG A 87 83.946 -12.950 5.253 1.00 0.00 N ATOM 893 CA ARG A 87 82.913 -12.983 6.330 1.00 0.00 C ATOM 894 C ARG A 87 83.506 -13.563 7.618 1.00 0.00 C ATOM 895 O ARG A 87 83.462 -14.755 7.849 1.00 0.00 O ATOM 896 CB ARG A 87 81.808 -13.892 5.791 1.00 0.00 C ATOM 897 CG ARG A 87 80.472 -13.502 6.427 1.00 0.00 C ATOM 898 CD ARG A 87 79.377 -14.449 5.929 1.00 0.00 C ATOM 899 NE ARG A 87 79.613 -15.724 6.662 1.00 0.00 N ATOM 900 CZ ARG A 87 79.039 -16.825 6.258 1.00 0.00 C ATOM 901 NH1 ARG A 87 77.741 -16.881 6.145 1.00 0.00 N ATOM 902 NH2 ARG A 87 79.767 -17.869 5.965 1.00 0.00 N ATOM 0 H ARG A 87 83.749 -13.540 4.445 1.00 0.00 H new ATOM 0 HA ARG A 87 82.540 -11.988 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.746 -13.804 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.039 -14.934 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.545 -13.552 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.222 -12.472 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 87 78.384 -14.050 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 87 79.441 -14.595 4.851 1.00 0.00 H new ATOM 0 HE ARG A 87 80.223 -15.737 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 87 77.174 -16.064 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 87 77.293 -17.741 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 87 80.782 -17.823 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 87 79.320 -18.730 5.649 1.00 0.00 H new ATOM 916 N GLY A 88 84.058 -12.729 8.457 1.00 0.00 N ATOM 917 CA GLY A 88 84.650 -13.236 9.728 1.00 0.00 C ATOM 918 C GLY A 88 85.274 -12.073 10.501 1.00 0.00 C ATOM 919 O GLY A 88 85.268 -12.047 11.715 1.00 0.00 O ATOM 0 H GLY A 88 84.125 -11.721 8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 88 83.881 -13.717 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 88 85.406 -13.991 9.513 1.00 0.00 H new ATOM 923 N SER A 89 85.816 -11.109 9.806 1.00 0.00 N ATOM 924 CA SER A 89 86.441 -9.948 10.502 1.00 0.00 C ATOM 925 C SER A 89 85.529 -8.722 10.403 1.00 0.00 C ATOM 926 O SER A 89 85.680 -7.762 11.133 1.00 0.00 O ATOM 927 CB SER A 89 87.754 -9.702 9.760 1.00 0.00 C ATOM 928 OG SER A 89 88.715 -9.171 10.661 1.00 0.00 O ATOM 0 H SER A 89 85.853 -11.076 8.787 1.00 0.00 H new ATOM 0 HA SER A 89 86.603 -10.139 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.120 -10.634 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.593 -9.010 8.934 1.00 0.00 H new ATOM 0 HG SER A 89 89.558 -9.015 10.186 1.00 0.00 H new ATOM 934 N MET A 90 84.584 -8.749 9.505 1.00 0.00 N ATOM 935 CA MET A 90 83.662 -7.588 9.356 1.00 0.00 C ATOM 936 C MET A 90 82.779 -7.450 10.600 1.00 0.00 C ATOM 937 O MET A 90 83.227 -7.634 11.714 1.00 0.00 O ATOM 938 CB MET A 90 82.815 -7.915 8.126 1.00 0.00 C ATOM 939 CG MET A 90 82.347 -6.616 7.468 1.00 0.00 C ATOM 940 SD MET A 90 83.250 -6.368 5.918 1.00 0.00 S ATOM 941 CE MET A 90 82.396 -7.637 4.952 1.00 0.00 C ATOM 0 H MET A 90 84.410 -9.526 8.867 1.00 0.00 H new ATOM 0 HA MET A 90 84.197 -6.645 9.244 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.396 -8.505 7.417 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.955 -8.520 8.414 1.00 0.00 H new ATOM 0 HG2 MET A 90 81.275 -6.659 7.274 1.00 0.00 H new ATOM 0 HG3 MET A 90 82.516 -5.774 8.139 1.00 0.00 H new ATOM 0 HE1 MET A 90 83.021 -7.936 4.111 1.00 0.00 H new ATOM 0 HE2 MET A 90 82.198 -8.503 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.453 -7.237 4.579 1.00 0.00 H new ATOM 951 N VAL A 91 81.526 -7.127 10.419 1.00 0.00 N ATOM 952 CA VAL A 91 80.617 -6.978 11.595 1.00 0.00 C ATOM 953 C VAL A 91 79.398 -7.890 11.423 1.00 0.00 C ATOM 954 O VAL A 91 79.462 -8.908 10.763 1.00 0.00 O ATOM 955 CB VAL A 91 80.189 -5.503 11.605 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.832 -5.088 13.035 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.330 -4.615 11.097 1.00 0.00 C ATOM 0 H VAL A 91 81.093 -6.960 9.511 1.00 0.00 H new ATOM 0 HA VAL A 91 81.104 -7.256 12.530 1.00 0.00 H new ATOM 0 HB VAL A 91 79.324 -5.383 10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.528 -4.041 13.045 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.013 -5.707 13.400 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.701 -5.219 13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.013 -3.572 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.201 -4.737 11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 91 81.589 -4.903 10.078 1.00 0.00 H new ATOM 967 N GLY A 92 78.286 -7.537 12.011 1.00 0.00 N ATOM 968 CA GLY A 92 77.070 -8.387 11.875 1.00 0.00 C ATOM 969 C GLY A 92 76.244 -7.907 10.677 1.00 0.00 C ATOM 970 O GLY A 92 76.282 -8.511 9.623 1.00 0.00 O ATOM 0 H GLY A 92 78.168 -6.698 12.579 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.356 -9.430 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.473 -8.336 12.786 1.00 0.00 H new ATOM 974 N PRO A 93 75.521 -6.832 10.874 1.00 0.00 N ATOM 975 CA PRO A 93 74.679 -6.271 9.791 1.00 0.00 C ATOM 976 C PRO A 93 75.547 -5.858 8.599 1.00 0.00 C ATOM 977 O PRO A 93 75.196 -6.078 7.457 1.00 0.00 O ATOM 978 CB PRO A 93 74.040 -5.050 10.459 1.00 0.00 C ATOM 979 CG PRO A 93 74.546 -4.958 11.912 1.00 0.00 C ATOM 980 CD PRO A 93 75.507 -6.125 12.178 1.00 0.00 C ATOM 0 HA PRO A 93 73.946 -6.974 9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.296 -4.143 9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 93 72.954 -5.136 10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.053 -4.007 12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 93 73.707 -4.995 12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.500 -5.776 12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.152 -6.767 12.984 1.00 0.00 H new ATOM 988 N PHE A 94 76.682 -5.267 8.858 1.00 0.00 N ATOM 989 CA PHE A 94 77.574 -4.846 7.740 1.00 0.00 C ATOM 990 C PHE A 94 77.706 -5.980 6.720 1.00 0.00 C ATOM 991 O PHE A 94 77.684 -5.759 5.526 1.00 0.00 O ATOM 992 CB PHE A 94 78.923 -4.561 8.400 1.00 0.00 C ATOM 993 CG PHE A 94 79.567 -3.368 7.736 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.220 -3.518 6.507 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.512 -2.111 8.351 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.819 -2.412 5.894 1.00 0.00 C ATOM 997 CE2 PHE A 94 80.111 -1.004 7.737 1.00 0.00 C ATOM 998 CZ PHE A 94 80.764 -1.156 6.508 1.00 0.00 C ATOM 0 H PHE A 94 77.030 -5.058 9.794 1.00 0.00 H new ATOM 0 HA PHE A 94 77.190 -3.978 7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 94 78.786 -4.368 9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.573 -5.432 8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 94 80.261 -4.487 6.032 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.008 -1.995 9.299 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.324 -2.528 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 94 80.069 -0.034 8.211 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.226 -0.303 6.033 1.00 0.00 H new ATOM 1008 N GLN A 95 77.842 -7.191 7.184 1.00 0.00 N ATOM 1009 CA GLN A 95 77.977 -8.340 6.246 1.00 0.00 C ATOM 1010 C GLN A 95 76.624 -8.674 5.612 1.00 0.00 C ATOM 1011 O GLN A 95 76.488 -8.722 4.408 1.00 0.00 O ATOM 1012 CB GLN A 95 78.461 -9.501 7.115 1.00 0.00 C ATOM 1013 CG GLN A 95 79.876 -9.209 7.618 1.00 0.00 C ATOM 1014 CD GLN A 95 80.417 -10.431 8.363 1.00 0.00 C ATOM 1015 OE1 GLN A 95 81.602 -10.699 8.335 1.00 0.00 O ATOM 1016 NE2 GLN A 95 79.593 -11.187 9.034 1.00 0.00 N ATOM 0 H GLN A 95 77.866 -7.435 8.174 1.00 0.00 H new ATOM 0 HA GLN A 95 78.664 -8.125 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 95 77.786 -9.643 7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.452 -10.427 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 95 80.528 -8.964 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.867 -8.342 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 95 78.598 -10.962 9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 95 79.943 -12.003 9.535 1.00 0.00 H new ATOM 1025 N GLU A 96 75.623 -8.907 6.415 1.00 0.00 N ATOM 1026 CA GLU A 96 74.280 -9.242 5.857 1.00 0.00 C ATOM 1027 C GLU A 96 73.960 -8.354 4.650 1.00 0.00 C ATOM 1028 O GLU A 96 74.014 -8.787 3.516 1.00 0.00 O ATOM 1029 CB GLU A 96 73.299 -8.965 6.998 1.00 0.00 C ATOM 1030 CG GLU A 96 72.791 -10.291 7.566 1.00 0.00 C ATOM 1031 CD GLU A 96 71.571 -10.754 6.767 1.00 0.00 C ATOM 1032 OE1 GLU A 96 70.510 -10.187 6.964 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.720 -11.667 5.973 1.00 0.00 O ATOM 0 H GLU A 96 75.675 -8.880 7.433 1.00 0.00 H new ATOM 0 HA GLU A 96 74.228 -10.274 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 96 73.789 -8.386 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.462 -8.368 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.577 -11.044 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 96 72.527 -10.172 8.617 1.00 0.00 H new ATOM 1040 N ALA A 97 73.621 -7.118 4.889 1.00 0.00 N ATOM 1041 CA ALA A 97 73.288 -6.197 3.762 1.00 0.00 C ATOM 1042 C ALA A 97 74.249 -6.397 2.586 1.00 0.00 C ATOM 1043 O ALA A 97 73.876 -6.260 1.439 1.00 0.00 O ATOM 1044 CB ALA A 97 73.448 -4.795 4.347 1.00 0.00 C ATOM 0 H ALA A 97 73.559 -6.703 5.819 1.00 0.00 H new ATOM 0 HA ALA A 97 72.285 -6.376 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.221 -4.053 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.764 -4.671 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.473 -4.659 4.691 1.00 0.00 H new ATOM 1050 N ALA A 98 75.485 -6.706 2.862 1.00 0.00 N ATOM 1051 CA ALA A 98 76.473 -6.900 1.757 1.00 0.00 C ATOM 1052 C ALA A 98 76.605 -8.382 1.395 1.00 0.00 C ATOM 1053 O ALA A 98 76.075 -8.839 0.405 1.00 0.00 O ATOM 1054 CB ALA A 98 77.795 -6.369 2.311 1.00 0.00 C ATOM 0 H ALA A 98 75.857 -6.833 3.803 1.00 0.00 H new ATOM 0 HA ALA A 98 76.168 -6.384 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.575 -6.476 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.684 -5.316 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.070 -6.935 3.201 1.00 0.00 H new ATOM 1060 N PHE A 99 77.319 -9.135 2.186 1.00 0.00 N ATOM 1061 CA PHE A 99 77.496 -10.585 1.886 1.00 0.00 C ATOM 1062 C PHE A 99 76.163 -11.221 1.479 1.00 0.00 C ATOM 1063 O PHE A 99 76.126 -12.177 0.729 1.00 0.00 O ATOM 1064 CB PHE A 99 78.000 -11.200 3.192 1.00 0.00 C ATOM 1065 CG PHE A 99 79.509 -11.250 3.180 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.181 -11.879 2.124 1.00 0.00 C ATOM 1067 CD2 PHE A 99 80.237 -10.669 4.225 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.579 -11.927 2.114 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.637 -10.716 4.214 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.308 -11.345 3.159 1.00 0.00 C ATOM 0 H PHE A 99 77.789 -8.808 3.030 1.00 0.00 H new ATOM 0 HA PHE A 99 78.187 -10.747 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 99 77.652 -10.611 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.594 -12.204 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.620 -12.327 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 99 79.719 -10.185 5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.097 -12.413 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 99 82.199 -10.267 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.387 -11.382 3.151 1.00 0.00 H new ATOM 1080 N ALA A 100 75.069 -10.706 1.970 1.00 0.00 N ATOM 1081 CA ALA A 100 73.744 -11.293 1.611 1.00 0.00 C ATOM 1082 C ALA A 100 73.196 -10.639 0.340 1.00 0.00 C ATOM 1083 O ALA A 100 72.121 -10.965 -0.124 1.00 0.00 O ATOM 1084 CB ALA A 100 72.842 -10.981 2.805 1.00 0.00 C ATOM 0 H ALA A 100 75.034 -9.907 2.602 1.00 0.00 H new ATOM 0 HA ALA A 100 73.807 -12.363 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 100 71.844 -11.380 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.256 -11.439 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.781 -9.901 2.943 1.00 0.00 H new ATOM 1090 N LEU A 101 73.922 -9.714 -0.219 1.00 0.00 N ATOM 1091 CA LEU A 101 73.446 -9.029 -1.448 1.00 0.00 C ATOM 1092 C LEU A 101 74.487 -9.146 -2.568 1.00 0.00 C ATOM 1093 O LEU A 101 75.616 -9.524 -2.323 1.00 0.00 O ATOM 1094 CB LEU A 101 73.285 -7.575 -1.020 1.00 0.00 C ATOM 1095 CG LEU A 101 71.956 -7.408 -0.284 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.731 -5.930 0.025 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.817 -7.926 -1.162 1.00 0.00 C ATOM 0 H LEU A 101 74.830 -9.402 0.126 1.00 0.00 H new ATOM 0 HA LEU A 101 72.523 -9.459 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.111 -7.281 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.315 -6.922 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 101 71.981 -7.975 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.784 -5.808 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.543 -5.562 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.705 -5.363 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.869 -7.807 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.789 -7.360 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.979 -8.981 -1.383 1.00 0.00 H new ATOM 1109 N PRO A 102 74.076 -8.811 -3.768 1.00 0.00 N ATOM 1110 CA PRO A 102 74.989 -8.875 -4.932 1.00 0.00 C ATOM 1111 C PRO A 102 76.206 -7.972 -4.709 1.00 0.00 C ATOM 1112 O PRO A 102 76.317 -7.299 -3.704 1.00 0.00 O ATOM 1113 CB PRO A 102 74.117 -8.344 -6.074 1.00 0.00 C ATOM 1114 CG PRO A 102 72.727 -7.989 -5.511 1.00 0.00 C ATOM 1115 CD PRO A 102 72.687 -8.356 -4.022 1.00 0.00 C ATOM 0 HA PRO A 102 75.387 -9.872 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.578 -7.465 -6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.026 -9.094 -6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.527 -6.926 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.951 -8.529 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.419 -7.502 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.959 -9.140 -3.816 1.00 0.00 H new ATOM 1123 N VAL A 103 77.115 -7.947 -5.644 1.00 0.00 N ATOM 1124 CA VAL A 103 78.320 -7.084 -5.492 1.00 0.00 C ATOM 1125 C VAL A 103 78.232 -5.909 -6.478 1.00 0.00 C ATOM 1126 O VAL A 103 78.039 -6.096 -7.663 1.00 0.00 O ATOM 1127 CB VAL A 103 79.508 -8.025 -5.777 1.00 0.00 C ATOM 1128 CG1 VAL A 103 80.213 -7.666 -7.090 1.00 0.00 C ATOM 1129 CG2 VAL A 103 80.506 -7.922 -4.624 1.00 0.00 C ATOM 0 H VAL A 103 77.075 -8.488 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 103 78.422 -6.633 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 103 79.126 -9.042 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 103 81.044 -8.351 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.506 -7.746 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 103 80.590 -6.645 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 103 81.351 -8.583 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.861 -6.895 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 103 80.019 -8.214 -3.694 1.00 0.00 H new ATOM 1139 N SER A 104 78.362 -4.696 -5.995 1.00 0.00 N ATOM 1140 CA SER A 104 78.273 -3.513 -6.904 1.00 0.00 C ATOM 1141 C SER A 104 78.162 -2.197 -6.105 1.00 0.00 C ATOM 1142 O SER A 104 78.681 -1.177 -6.513 1.00 0.00 O ATOM 1143 CB SER A 104 77.002 -3.750 -7.721 1.00 0.00 C ATOM 1144 OG SER A 104 77.348 -4.280 -8.991 1.00 0.00 O ATOM 0 H SER A 104 78.525 -4.476 -5.012 1.00 0.00 H new ATOM 0 HA SER A 104 79.162 -3.414 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.342 -4.440 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 104 76.455 -2.815 -7.842 1.00 0.00 H new ATOM 0 HG SER A 104 77.918 -5.068 -8.872 1.00 0.00 H new ATOM 1150 N GLY A 105 77.499 -2.207 -4.974 1.00 0.00 N ATOM 1151 CA GLY A 105 77.369 -0.959 -4.161 1.00 0.00 C ATOM 1152 C GLY A 105 76.998 0.239 -5.043 1.00 0.00 C ATOM 1153 O GLY A 105 76.642 0.089 -6.190 1.00 0.00 O ATOM 0 H GLY A 105 77.041 -3.028 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.608 -1.099 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.308 -0.758 -3.645 1.00 0.00 H new ATOM 1157 N MET A 106 77.094 1.430 -4.491 1.00 0.00 N ATOM 1158 CA MET A 106 76.773 2.686 -5.243 1.00 0.00 C ATOM 1159 C MET A 106 75.261 2.938 -5.302 1.00 0.00 C ATOM 1160 O MET A 106 74.753 3.520 -6.241 1.00 0.00 O ATOM 1161 CB MET A 106 77.360 2.504 -6.639 1.00 0.00 C ATOM 1162 CG MET A 106 77.387 3.851 -7.364 1.00 0.00 C ATOM 1163 SD MET A 106 76.340 3.762 -8.836 1.00 0.00 S ATOM 1164 CE MET A 106 77.608 4.212 -10.047 1.00 0.00 C ATOM 0 H MET A 106 77.389 1.584 -3.527 1.00 0.00 H new ATOM 0 HA MET A 106 77.198 3.558 -4.746 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.369 2.096 -6.570 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.764 1.787 -7.204 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.034 4.641 -6.701 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.409 4.104 -7.646 1.00 0.00 H new ATOM 0 HE1 MET A 106 77.150 4.773 -10.862 1.00 0.00 H new ATOM 0 HE2 MET A 106 78.369 4.827 -9.566 1.00 0.00 H new ATOM 0 HE3 MET A 106 78.070 3.308 -10.443 1.00 0.00 H new ATOM 1174 N ASP A 107 74.553 2.532 -4.287 1.00 0.00 N ATOM 1175 CA ASP A 107 73.078 2.767 -4.231 1.00 0.00 C ATOM 1176 C ASP A 107 72.413 2.663 -5.605 1.00 0.00 C ATOM 1177 O ASP A 107 72.077 3.656 -6.218 1.00 0.00 O ATOM 1178 CB ASP A 107 72.935 4.190 -3.687 1.00 0.00 C ATOM 1179 CG ASP A 107 73.680 5.167 -4.599 1.00 0.00 C ATOM 1180 OD1 ASP A 107 74.860 5.375 -4.372 1.00 0.00 O ATOM 1181 OD2 ASP A 107 73.057 5.689 -5.509 1.00 0.00 O ATOM 0 H ASP A 107 74.937 2.040 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 107 72.589 2.015 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.881 4.463 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.335 4.245 -2.675 1.00 0.00 H new ATOM 1186 N LYS A 108 72.187 1.471 -6.078 1.00 0.00 N ATOM 1187 CA LYS A 108 71.504 1.313 -7.391 1.00 0.00 C ATOM 1188 C LYS A 108 71.454 -0.164 -7.804 1.00 0.00 C ATOM 1189 O LYS A 108 70.395 -0.675 -8.108 1.00 0.00 O ATOM 1190 CB LYS A 108 72.323 2.137 -8.380 1.00 0.00 C ATOM 1191 CG LYS A 108 71.401 3.108 -9.121 1.00 0.00 C ATOM 1192 CD LYS A 108 71.086 2.553 -10.511 1.00 0.00 C ATOM 1193 CE LYS A 108 71.167 3.681 -11.540 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.915 3.020 -12.851 1.00 0.00 N ATOM 0 H LYS A 108 72.445 0.600 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 108 70.469 1.653 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 108 73.102 2.688 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.823 1.480 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.479 3.252 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.878 4.084 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.791 1.762 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 108 70.091 2.109 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 108 70.426 4.454 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 108 72.144 4.163 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.954 3.729 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.640 2.293 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 69.975 2.575 -12.841 1.00 0.00 H new ATOM 1208 N PRO A 109 72.593 -0.814 -7.803 1.00 0.00 N ATOM 1209 CA PRO A 109 72.646 -2.246 -8.183 1.00 0.00 C ATOM 1210 C PRO A 109 71.976 -3.102 -7.104 1.00 0.00 C ATOM 1211 O PRO A 109 70.881 -3.600 -7.279 1.00 0.00 O ATOM 1212 CB PRO A 109 74.146 -2.524 -8.230 1.00 0.00 C ATOM 1213 CG PRO A 109 74.896 -1.234 -7.850 1.00 0.00 C ATOM 1214 CD PRO A 109 73.878 -0.172 -7.433 1.00 0.00 C ATOM 0 HA PRO A 109 72.134 -2.472 -9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.404 -3.328 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.439 -2.852 -9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.592 -1.429 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.486 -0.879 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.932 0.048 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.031 0.769 -7.961 1.00 0.00 H new ATOM 1222 N VAL A 110 72.636 -3.272 -5.988 1.00 0.00 N ATOM 1223 CA VAL A 110 72.055 -4.090 -4.880 1.00 0.00 C ATOM 1224 C VAL A 110 70.601 -3.673 -4.614 1.00 0.00 C ATOM 1225 O VAL A 110 70.068 -2.800 -5.271 1.00 0.00 O ATOM 1226 CB VAL A 110 72.940 -3.786 -3.670 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.694 -2.349 -3.211 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.610 -4.753 -2.531 1.00 0.00 C ATOM 0 H VAL A 110 73.557 -2.878 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 110 72.034 -5.155 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 110 73.987 -3.906 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 110 73.324 -2.130 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.936 -1.662 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.646 -2.229 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.243 -4.532 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 110 71.563 -4.640 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 110 72.788 -5.777 -2.860 1.00 0.00 H new ATOM 1238 N PHE A 111 69.945 -4.297 -3.669 1.00 0.00 N ATOM 1239 CA PHE A 111 68.521 -3.938 -3.394 1.00 0.00 C ATOM 1240 C PHE A 111 68.364 -3.204 -2.057 1.00 0.00 C ATOM 1241 O PHE A 111 67.657 -2.221 -1.964 1.00 0.00 O ATOM 1242 CB PHE A 111 67.785 -5.278 -3.356 1.00 0.00 C ATOM 1243 CG PHE A 111 67.673 -5.825 -4.759 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.760 -6.488 -5.340 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.483 -5.667 -5.479 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.656 -6.994 -6.642 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.380 -6.173 -6.780 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.467 -6.836 -7.361 1.00 0.00 C ATOM 0 H PHE A 111 70.331 -5.035 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 111 68.128 -3.260 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.321 -5.983 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 111 66.793 -5.149 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.678 -6.609 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.644 -5.155 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.494 -7.506 -7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.462 -6.052 -7.335 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.388 -7.226 -8.365 1.00 0.00 H new ATOM 1258 N THR A 112 68.995 -3.677 -1.019 1.00 0.00 N ATOM 1259 CA THR A 112 68.849 -3.002 0.308 1.00 0.00 C ATOM 1260 C THR A 112 69.142 -1.510 0.197 1.00 0.00 C ATOM 1261 O THR A 112 69.290 -0.965 -0.879 1.00 0.00 O ATOM 1262 CB THR A 112 69.879 -3.657 1.235 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.595 -3.296 2.579 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.288 -3.180 0.869 1.00 0.00 C ATOM 0 H THR A 112 69.603 -4.496 -1.028 1.00 0.00 H new ATOM 0 HA THR A 112 67.831 -3.108 0.684 1.00 0.00 H new ATOM 0 HB THR A 112 69.827 -4.740 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.251 -3.714 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 112 72.015 -3.650 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.508 -3.454 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.345 -2.097 0.977 1.00 0.00 H new ATOM 1272 N ASP A 113 69.245 -0.854 1.315 1.00 0.00 N ATOM 1273 CA ASP A 113 69.551 0.604 1.305 1.00 0.00 C ATOM 1274 C ASP A 113 71.047 0.796 1.574 1.00 0.00 C ATOM 1275 O ASP A 113 71.591 0.166 2.457 1.00 0.00 O ATOM 1276 CB ASP A 113 68.718 1.204 2.438 1.00 0.00 C ATOM 1277 CG ASP A 113 68.951 0.406 3.723 1.00 0.00 C ATOM 1278 OD1 ASP A 113 68.315 -0.623 3.882 1.00 0.00 O ATOM 1279 OD2 ASP A 113 69.764 0.837 4.525 1.00 0.00 O ATOM 0 H ASP A 113 69.130 -1.265 2.241 1.00 0.00 H new ATOM 0 HA ASP A 113 69.318 1.080 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 113 68.992 2.248 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 113 67.661 1.187 2.174 1.00 0.00 H new ATOM 1284 N PRO A 114 71.678 1.642 0.800 1.00 0.00 N ATOM 1285 CA PRO A 114 73.127 1.876 0.970 1.00 0.00 C ATOM 1286 C PRO A 114 73.452 2.403 2.380 1.00 0.00 C ATOM 1287 O PRO A 114 74.255 1.813 3.069 1.00 0.00 O ATOM 1288 CB PRO A 114 73.445 2.885 -0.139 1.00 0.00 C ATOM 1289 CG PRO A 114 72.144 3.181 -0.915 1.00 0.00 C ATOM 1290 CD PRO A 114 70.992 2.397 -0.274 1.00 0.00 C ATOM 0 HA PRO A 114 73.730 0.972 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 114 73.849 3.803 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.204 2.484 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 114 71.929 4.249 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.257 2.897 -1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.222 3.059 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.505 1.734 -0.989 1.00 0.00 H new ATOM 1298 N PRO A 115 72.824 3.484 2.775 1.00 0.00 N ATOM 1299 CA PRO A 115 73.075 4.066 4.118 1.00 0.00 C ATOM 1300 C PRO A 115 72.596 3.111 5.214 1.00 0.00 C ATOM 1301 O PRO A 115 71.566 3.321 5.823 1.00 0.00 O ATOM 1302 CB PRO A 115 72.218 5.333 4.102 1.00 0.00 C ATOM 1303 CG PRO A 115 71.497 5.423 2.743 1.00 0.00 C ATOM 1304 CD PRO A 115 71.837 4.173 1.920 1.00 0.00 C ATOM 0 HA PRO A 115 74.129 4.256 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.492 5.309 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.842 6.213 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.420 5.496 2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.807 6.322 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 115 70.957 3.556 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.253 4.430 0.946 1.00 0.00 H new ATOM 1312 N VAL A 116 73.331 2.066 5.474 1.00 0.00 N ATOM 1313 CA VAL A 116 72.908 1.109 6.530 1.00 0.00 C ATOM 1314 C VAL A 116 73.489 1.533 7.880 1.00 0.00 C ATOM 1315 O VAL A 116 74.543 2.134 7.951 1.00 0.00 O ATOM 1316 CB VAL A 116 73.486 -0.236 6.100 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.151 -0.500 4.628 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.002 -0.215 6.289 1.00 0.00 C ATOM 0 H VAL A 116 74.205 1.835 5.001 1.00 0.00 H new ATOM 0 HA VAL A 116 71.825 1.068 6.644 1.00 0.00 H new ATOM 0 HB VAL A 116 73.053 -1.029 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.566 -1.462 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.069 -0.516 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.579 0.289 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.420 -1.174 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.434 0.580 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.235 -0.036 7.339 1.00 0.00 H new ATOM 1328 N LYS A 117 72.810 1.232 8.949 1.00 0.00 N ATOM 1329 CA LYS A 117 73.324 1.630 10.288 1.00 0.00 C ATOM 1330 C LYS A 117 73.923 0.428 11.019 1.00 0.00 C ATOM 1331 O LYS A 117 73.417 -0.675 10.948 1.00 0.00 O ATOM 1332 CB LYS A 117 72.103 2.157 11.034 1.00 0.00 C ATOM 1333 CG LYS A 117 72.527 3.295 11.965 1.00 0.00 C ATOM 1334 CD LYS A 117 71.677 3.255 13.238 1.00 0.00 C ATOM 1335 CE LYS A 117 72.075 2.039 14.078 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.816 1.262 14.245 1.00 0.00 N ATOM 0 H LYS A 117 71.923 0.729 8.955 1.00 0.00 H new ATOM 0 HA LYS A 117 74.117 2.374 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.355 2.512 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.641 1.355 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.583 3.199 12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.405 4.255 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.820 4.170 13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 117 70.619 3.202 12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 117 72.842 1.447 13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 117 72.484 2.341 15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 71.037 0.321 14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 70.183 1.764 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 70.348 1.157 13.322 1.00 0.00 H new ATOM 1350 N THR A 118 74.999 0.638 11.723 1.00 0.00 N ATOM 1351 CA THR A 118 75.643 -0.481 12.466 1.00 0.00 C ATOM 1352 C THR A 118 76.916 0.015 13.158 1.00 0.00 C ATOM 1353 O THR A 118 77.871 -0.719 13.319 1.00 0.00 O ATOM 1354 CB THR A 118 75.980 -1.524 11.400 1.00 0.00 C ATOM 1355 OG1 THR A 118 76.847 -2.503 11.957 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.669 -0.843 10.216 1.00 0.00 C ATOM 0 H THR A 118 75.463 1.542 11.817 1.00 0.00 H new ATOM 0 HA THR A 118 74.997 -0.891 13.242 1.00 0.00 H new ATOM 0 HB THR A 118 75.063 -2.003 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.688 -2.079 12.229 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.909 -1.588 9.457 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.003 -0.092 9.790 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.587 -0.363 10.556 1.00 0.00 H new ATOM 1364 N LYS A 119 76.938 1.257 13.564 1.00 0.00 N ATOM 1365 CA LYS A 119 78.152 1.794 14.241 1.00 0.00 C ATOM 1366 C LYS A 119 77.862 3.167 14.859 1.00 0.00 C ATOM 1367 O LYS A 119 77.728 3.300 16.058 1.00 0.00 O ATOM 1368 CB LYS A 119 79.200 1.915 13.135 1.00 0.00 C ATOM 1369 CG LYS A 119 80.287 0.860 13.346 1.00 0.00 C ATOM 1370 CD LYS A 119 81.634 1.416 12.880 1.00 0.00 C ATOM 1371 CE LYS A 119 82.763 0.539 13.424 1.00 0.00 C ATOM 1372 NZ LYS A 119 83.537 0.123 12.221 1.00 0.00 N ATOM 0 H LYS A 119 76.170 1.920 13.456 1.00 0.00 H new ATOM 0 HA LYS A 119 78.486 1.149 15.054 1.00 0.00 H new ATOM 0 HB2 LYS A 119 78.732 1.781 12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 119 79.640 2.912 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 119 80.340 0.583 14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 119 80.043 -0.045 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 119 81.672 1.442 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 119 81.756 2.442 13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 119 83.389 1.090 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 119 82.369 -0.325 13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 84.331 -0.483 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 82.917 -0.405 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 83.905 0.966 11.736 1.00 0.00 H new ATOM 1386 N PHE A 120 77.772 4.190 14.051 1.00 0.00 N ATOM 1387 CA PHE A 120 77.501 5.550 14.605 1.00 0.00 C ATOM 1388 C PHE A 120 76.587 6.348 13.668 1.00 0.00 C ATOM 1389 O PHE A 120 76.479 7.553 13.775 1.00 0.00 O ATOM 1390 CB PHE A 120 78.874 6.216 14.699 1.00 0.00 C ATOM 1391 CG PHE A 120 79.194 6.514 16.144 1.00 0.00 C ATOM 1392 CD1 PHE A 120 78.576 7.591 16.790 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.110 5.714 16.837 1.00 0.00 C ATOM 1394 CE1 PHE A 120 78.874 7.869 18.129 1.00 0.00 C ATOM 1395 CE2 PHE A 120 80.407 5.992 18.176 1.00 0.00 C ATOM 1396 CZ PHE A 120 79.789 7.069 18.822 1.00 0.00 C ATOM 0 H PHE A 120 77.874 4.144 13.037 1.00 0.00 H new ATOM 0 HA PHE A 120 76.995 5.502 15.569 1.00 0.00 H new ATOM 0 HB2 PHE A 120 79.636 5.563 14.274 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.883 7.137 14.116 1.00 0.00 H new ATOM 0 HD1 PHE A 120 77.869 8.208 16.255 1.00 0.00 H new ATOM 0 HD2 PHE A 120 80.587 4.883 16.339 1.00 0.00 H new ATOM 0 HE1 PHE A 120 78.398 8.701 18.627 1.00 0.00 H new ATOM 0 HE2 PHE A 120 81.114 5.375 18.711 1.00 0.00 H new ATOM 0 HZ PHE A 120 80.018 7.282 19.856 1.00 0.00 H new ATOM 1406 N GLY A 121 75.928 5.692 12.753 1.00 0.00 N ATOM 1407 CA GLY A 121 75.026 6.424 11.819 1.00 0.00 C ATOM 1408 C GLY A 121 74.732 5.546 10.602 1.00 0.00 C ATOM 1409 O GLY A 121 74.645 4.339 10.706 1.00 0.00 O ATOM 0 H GLY A 121 75.975 4.683 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.097 6.686 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.492 7.358 11.503 1.00 0.00 H new ATOM 1413 N TYR A 122 74.580 6.139 9.450 1.00 0.00 N ATOM 1414 CA TYR A 122 74.293 5.330 8.228 1.00 0.00 C ATOM 1415 C TYR A 122 75.459 5.437 7.239 1.00 0.00 C ATOM 1416 O TYR A 122 76.037 6.490 7.061 1.00 0.00 O ATOM 1417 CB TYR A 122 73.029 5.947 7.629 1.00 0.00 C ATOM 1418 CG TYR A 122 71.997 6.153 8.712 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.508 5.059 9.434 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.526 7.442 8.993 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.549 5.251 10.436 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.568 7.635 9.995 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.078 6.540 10.717 1.00 0.00 C ATOM 1424 OH TYR A 122 69.132 6.729 11.704 1.00 0.00 O ATOM 0 H TYR A 122 74.642 7.146 9.300 1.00 0.00 H new ATOM 0 HA TYR A 122 74.162 4.272 8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.268 6.899 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.629 5.296 6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.871 4.065 9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.902 8.287 8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.172 4.405 10.992 1.00 0.00 H new ATOM 0 HE2 TYR A 122 70.206 8.629 10.211 1.00 0.00 H new ATOM 0 HH TYR A 122 68.915 7.682 11.771 1.00 0.00 H new ATOM 1434 N HIS A 123 75.806 4.356 6.591 1.00 0.00 N ATOM 1435 CA HIS A 123 76.932 4.407 5.613 1.00 0.00 C ATOM 1436 C HIS A 123 76.596 3.563 4.380 1.00 0.00 C ATOM 1437 O HIS A 123 75.870 2.597 4.468 1.00 0.00 O ATOM 1438 CB HIS A 123 78.142 3.834 6.354 1.00 0.00 C ATOM 1439 CG HIS A 123 77.860 2.421 6.786 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.077 1.336 5.951 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.395 1.898 7.967 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.746 0.225 6.636 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.324 0.511 7.870 1.00 0.00 N ATOM 0 H HIS A 123 75.361 3.444 6.696 1.00 0.00 H new ATOM 0 HA HIS A 123 77.125 5.420 5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 123 79.019 3.857 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.371 4.450 7.224 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.424 1.373 4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.125 2.475 8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.814 -0.776 6.236 1.00 0.00 H new ATOM 1451 N ILE A 124 77.111 3.922 3.231 1.00 0.00 N ATOM 1452 CA ILE A 124 76.801 3.136 1.996 1.00 0.00 C ATOM 1453 C ILE A 124 77.820 2.009 1.813 1.00 0.00 C ATOM 1454 O ILE A 124 78.999 2.244 1.638 1.00 0.00 O ATOM 1455 CB ILE A 124 76.900 4.124 0.822 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.177 5.432 1.170 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.245 3.506 -0.415 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.326 6.422 0.007 1.00 0.00 C ATOM 0 H ILE A 124 77.730 4.721 3.094 1.00 0.00 H new ATOM 0 HA ILE A 124 75.812 2.681 2.057 1.00 0.00 H new ATOM 0 HB ILE A 124 77.951 4.336 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.122 5.237 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.594 5.860 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.313 4.204 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 124 76.758 2.580 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.197 3.294 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.813 7.352 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.383 6.625 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.888 5.993 -0.894 1.00 0.00 H new ATOM 1470 N ILE A 125 77.365 0.784 1.847 1.00 0.00 N ATOM 1471 CA ILE A 125 78.290 -0.368 1.667 1.00 0.00 C ATOM 1472 C ILE A 125 78.361 -0.731 0.182 1.00 0.00 C ATOM 1473 O ILE A 125 77.378 -0.667 -0.530 1.00 0.00 O ATOM 1474 CB ILE A 125 77.668 -1.505 2.489 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.153 -1.408 3.935 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.079 -2.860 1.910 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.565 -2.564 4.748 1.00 0.00 C ATOM 0 H ILE A 125 76.387 0.533 1.993 1.00 0.00 H new ATOM 0 HA ILE A 125 79.308 -0.156 1.993 1.00 0.00 H new ATOM 0 HB ILE A 125 76.582 -1.416 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.242 -1.443 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.851 -0.454 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.632 -3.659 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.734 -2.935 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.165 -2.953 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.910 -2.496 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.477 -2.508 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.889 -3.512 4.319 1.00 0.00 H new ATOM 1489 N MET A 126 79.513 -1.105 -0.294 1.00 0.00 N ATOM 1490 CA MET A 126 79.645 -1.460 -1.722 1.00 0.00 C ATOM 1491 C MET A 126 80.523 -2.712 -1.861 1.00 0.00 C ATOM 1492 O MET A 126 81.733 -2.647 -1.783 1.00 0.00 O ATOM 1493 CB MET A 126 80.290 -0.209 -2.359 1.00 0.00 C ATOM 1494 CG MET A 126 81.477 -0.594 -3.248 1.00 0.00 C ATOM 1495 SD MET A 126 81.752 0.689 -4.498 1.00 0.00 S ATOM 1496 CE MET A 126 81.499 2.123 -3.424 1.00 0.00 C ATOM 0 H MET A 126 80.371 -1.179 0.252 1.00 0.00 H new ATOM 0 HA MET A 126 78.701 -1.706 -2.208 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.547 0.326 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.624 0.471 -1.575 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.373 -0.719 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 126 81.284 -1.551 -3.733 1.00 0.00 H new ATOM 0 HE1 MET A 126 82.227 2.896 -3.671 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.492 2.514 -3.570 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.625 1.825 -2.383 1.00 0.00 H new ATOM 1506 N VAL A 127 79.921 -3.844 -2.085 1.00 0.00 N ATOM 1507 CA VAL A 127 80.719 -5.091 -2.253 1.00 0.00 C ATOM 1508 C VAL A 127 81.053 -5.224 -3.734 1.00 0.00 C ATOM 1509 O VAL A 127 80.186 -5.123 -4.570 1.00 0.00 O ATOM 1510 CB VAL A 127 79.789 -6.218 -1.797 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.609 -7.483 -1.558 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.088 -5.815 -0.498 1.00 0.00 C ATOM 0 H VAL A 127 78.911 -3.961 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 127 81.651 -5.104 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 127 79.041 -6.404 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.950 -8.288 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.108 -7.773 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.356 -7.292 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.427 -6.620 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.834 -5.627 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.504 -4.910 -0.665 1.00 0.00 H new ATOM 1522 N GLU A 128 82.292 -5.414 -4.090 1.00 0.00 N ATOM 1523 CA GLU A 128 82.606 -5.497 -5.527 1.00 0.00 C ATOM 1524 C GLU A 128 83.820 -6.385 -5.779 1.00 0.00 C ATOM 1525 O GLU A 128 84.937 -5.978 -5.668 1.00 0.00 O ATOM 1526 CB GLU A 128 82.906 -4.058 -5.946 1.00 0.00 C ATOM 1527 CG GLU A 128 83.127 -4.006 -7.460 1.00 0.00 C ATOM 1528 CD GLU A 128 81.862 -3.482 -8.143 1.00 0.00 C ATOM 1529 OE1 GLU A 128 81.660 -2.279 -8.129 1.00 0.00 O ATOM 1530 OE2 GLU A 128 81.118 -4.293 -8.669 1.00 0.00 O ATOM 0 H GLU A 128 83.084 -5.513 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 128 81.784 -5.935 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 128 82.079 -3.406 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.791 -3.693 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.973 -3.359 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.372 -4.999 -7.837 1.00 0.00 H new ATOM 1537 N GLY A 129 83.603 -7.593 -6.114 1.00 0.00 N ATOM 1538 CA GLY A 129 84.744 -8.496 -6.403 1.00 0.00 C ATOM 1539 C GLY A 129 84.843 -9.551 -5.332 1.00 0.00 C ATOM 1540 O GLY A 129 85.485 -9.358 -4.324 1.00 0.00 O ATOM 0 H GLY A 129 82.679 -8.016 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.610 -8.965 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.670 -7.923 -6.449 1.00 0.00 H new ATOM 1544 N ARG A 130 84.220 -10.668 -5.533 1.00 0.00 N ATOM 1545 CA ARG A 130 84.307 -11.722 -4.501 1.00 0.00 C ATOM 1546 C ARG A 130 85.136 -12.901 -5.019 1.00 0.00 C ATOM 1547 O ARG A 130 85.321 -13.066 -6.209 1.00 0.00 O ATOM 1548 CB ARG A 130 82.870 -12.153 -4.213 1.00 0.00 C ATOM 1549 CG ARG A 130 81.945 -10.932 -4.214 1.00 0.00 C ATOM 1550 CD ARG A 130 80.490 -11.396 -4.128 1.00 0.00 C ATOM 1551 NE ARG A 130 80.198 -11.985 -5.465 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.964 -12.112 -5.868 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.143 -12.895 -5.224 1.00 0.00 N ATOM 1554 NH2 ARG A 130 78.549 -11.453 -6.917 1.00 0.00 N ATOM 0 H ARG A 130 83.661 -10.895 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 130 84.796 -11.361 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.540 -12.870 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.820 -12.657 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.181 -10.282 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.098 -10.347 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.356 -12.131 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.822 -10.563 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 130 80.964 -12.289 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.466 -13.409 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.178 -12.993 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 130 79.190 -10.840 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 130 77.584 -11.552 -7.233 1.00 0.00 H new ATOM 1568 N LYS A 131 85.636 -13.720 -4.136 1.00 0.00 N ATOM 1569 CA LYS A 131 86.455 -14.886 -4.578 1.00 0.00 C ATOM 1570 C LYS A 131 85.647 -16.179 -4.449 1.00 0.00 C ATOM 1571 O LYS A 131 86.033 -17.159 -5.066 1.00 0.00 O ATOM 1572 CB LYS A 131 87.656 -14.906 -3.633 1.00 0.00 C ATOM 1573 CG LYS A 131 88.916 -14.497 -4.399 1.00 0.00 C ATOM 1574 CD LYS A 131 89.586 -13.318 -3.689 1.00 0.00 C ATOM 1575 CE LYS A 131 90.656 -13.841 -2.729 1.00 0.00 C ATOM 1576 NZ LYS A 131 91.951 -13.513 -3.387 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.657 -16.169 -3.737 1.00 0.00 O ATOM 0 H LYS A 131 85.514 -13.633 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 131 86.759 -14.806 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 131 87.487 -14.225 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 131 87.782 -15.902 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 131 89.606 -15.338 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 131 88.659 -14.221 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 131 90.036 -12.647 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.842 -12.740 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 131 90.577 -13.365 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 131 90.554 -14.914 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 92.737 -13.840 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 92.000 -13.985 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 92.022 -12.484 -3.519 1.00 0.00 H new TER 1591 LYS A 131