USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc=-0.00541 (180deg=-0.132) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 121:sc= 1.79 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 96:sc= 0.0147 USER MOD Single : A 20 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.7!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -98:sc= -0.163 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.654 X(o=-0.65,f=-1.1) USER MOD Single : A 49 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.7!) USER MOD Single : A 53 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.17) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -2.86 F(o=-5.2!,f=-2.9) USER MOD Single : A 69 SER OG : rot 180:sc= -0.47 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.044 -3.037 4.753 1.00 0.00 N ATOM 2 CA GLY A 1 25.136 -3.607 5.731 1.00 0.00 C ATOM 3 C GLY A 1 23.931 -2.724 5.987 1.00 0.00 C ATOM 4 O GLY A 1 24.071 -1.589 6.443 1.00 0.00 O ATOM 0 H1 GLY A 1 26.851 -3.678 4.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.545 -2.907 3.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.388 -2.117 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.800 -4.584 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.670 -3.768 6.667 1.00 0.00 H new ATOM 8 N SER A 2 22.744 -3.243 5.692 1.00 0.00 N ATOM 9 CA SER A 2 21.510 -2.492 5.888 1.00 0.00 C ATOM 10 C SER A 2 20.368 -3.419 6.297 1.00 0.00 C ATOM 11 O SER A 2 20.037 -4.366 5.584 1.00 0.00 O ATOM 12 CB SER A 2 21.138 -1.739 4.608 1.00 0.00 C ATOM 13 OG SER A 2 20.151 -0.754 4.865 1.00 0.00 O ATOM 0 H SER A 2 22.611 -4.182 5.316 1.00 0.00 H new ATOM 0 HA SER A 2 21.675 -1.772 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.027 -1.267 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.768 -2.443 3.862 1.00 0.00 H new ATOM 0 HG SER A 2 19.932 -0.286 4.033 1.00 0.00 H new ATOM 19 N SER A 3 19.771 -3.136 7.450 1.00 0.00 N ATOM 20 CA SER A 3 18.669 -3.947 7.958 1.00 0.00 C ATOM 21 C SER A 3 17.348 -3.525 7.321 1.00 0.00 C ATOM 22 O SER A 3 16.322 -3.435 7.995 1.00 0.00 O ATOM 23 CB SER A 3 18.577 -3.824 9.480 1.00 0.00 C ATOM 24 OG SER A 3 19.733 -4.357 10.104 1.00 0.00 O ATOM 0 H SER A 3 20.031 -2.353 8.050 1.00 0.00 H new ATOM 0 HA SER A 3 18.864 -4.987 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.460 -2.776 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.691 -4.349 9.838 1.00 0.00 H new ATOM 0 HG SER A 3 19.652 -4.265 11.076 1.00 0.00 H new ATOM 30 N GLY A 4 17.382 -3.267 6.017 1.00 0.00 N ATOM 31 CA GLY A 4 16.182 -2.857 5.311 1.00 0.00 C ATOM 32 C GLY A 4 15.023 -3.807 5.537 1.00 0.00 C ATOM 33 O GLY A 4 14.014 -3.436 6.138 1.00 0.00 O ATOM 0 H GLY A 4 18.219 -3.335 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.897 -1.857 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.395 -2.796 4.244 1.00 0.00 H new ATOM 37 N SER A 5 15.166 -5.038 5.054 1.00 0.00 N ATOM 38 CA SER A 5 14.119 -6.043 5.202 1.00 0.00 C ATOM 39 C SER A 5 14.700 -7.361 5.704 1.00 0.00 C ATOM 40 O SER A 5 15.124 -8.206 4.917 1.00 0.00 O ATOM 41 CB SER A 5 13.404 -6.265 3.868 1.00 0.00 C ATOM 42 OG SER A 5 12.225 -7.032 4.043 1.00 0.00 O ATOM 0 H SER A 5 15.996 -5.363 4.557 1.00 0.00 H new ATOM 0 HA SER A 5 13.400 -5.678 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.153 -5.303 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.073 -6.773 3.174 1.00 0.00 H new ATOM 0 HG SER A 5 11.786 -7.159 3.176 1.00 0.00 H new ATOM 48 N SER A 6 14.717 -7.528 7.023 1.00 0.00 N ATOM 49 CA SER A 6 15.249 -8.741 7.633 1.00 0.00 C ATOM 50 C SER A 6 14.123 -9.611 8.183 1.00 0.00 C ATOM 51 O SER A 6 13.777 -9.528 9.361 1.00 0.00 O ATOM 52 CB SER A 6 16.227 -8.386 8.754 1.00 0.00 C ATOM 53 OG SER A 6 17.303 -7.605 8.264 1.00 0.00 O ATOM 0 H SER A 6 14.369 -6.839 7.689 1.00 0.00 H new ATOM 0 HA SER A 6 15.777 -9.304 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.703 -7.838 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.613 -9.299 9.207 1.00 0.00 H new ATOM 0 HG SER A 6 17.913 -7.390 9.000 1.00 0.00 H new ATOM 59 N GLY A 7 13.554 -10.447 7.320 1.00 0.00 N ATOM 60 CA GLY A 7 12.473 -11.322 7.736 1.00 0.00 C ATOM 61 C GLY A 7 11.348 -10.568 8.416 1.00 0.00 C ATOM 62 O GLY A 7 11.337 -10.423 9.638 1.00 0.00 O ATOM 0 H GLY A 7 13.822 -10.534 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.080 -11.848 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.863 -12.079 8.417 1.00 0.00 H new ATOM 66 N ASN A 8 10.397 -10.085 7.623 1.00 0.00 N ATOM 67 CA ASN A 8 9.261 -9.339 8.156 1.00 0.00 C ATOM 68 C ASN A 8 7.972 -9.728 7.440 1.00 0.00 C ATOM 69 O ASN A 8 7.986 -10.514 6.493 1.00 0.00 O ATOM 70 CB ASN A 8 9.503 -7.835 8.016 1.00 0.00 C ATOM 71 CG ASN A 8 10.751 -7.380 8.745 1.00 0.00 C ATOM 72 OD1 ASN A 8 11.697 -6.885 8.130 1.00 0.00 O ATOM 73 ND2 ASN A 8 10.761 -7.544 10.062 1.00 0.00 N ATOM 0 H ASN A 8 10.390 -10.196 6.609 1.00 0.00 H new ATOM 0 HA ASN A 8 9.157 -9.587 9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.590 -7.581 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.641 -7.293 8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.574 -7.256 10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.955 -7.958 10.530 1.00 0.00 H new ATOM 80 N LYS A 9 6.856 -9.172 7.900 1.00 0.00 N ATOM 81 CA LYS A 9 5.556 -9.458 7.305 1.00 0.00 C ATOM 82 C LYS A 9 5.079 -8.285 6.452 1.00 0.00 C ATOM 83 O LYS A 9 4.871 -7.182 6.957 1.00 0.00 O ATOM 84 CB LYS A 9 4.527 -9.760 8.396 1.00 0.00 C ATOM 85 CG LYS A 9 3.381 -10.639 7.925 1.00 0.00 C ATOM 86 CD LYS A 9 3.835 -12.070 7.694 1.00 0.00 C ATOM 87 CE LYS A 9 3.768 -12.890 8.973 1.00 0.00 C ATOM 88 NZ LYS A 9 2.364 -13.212 9.352 1.00 0.00 N ATOM 0 H LYS A 9 6.826 -8.520 8.684 1.00 0.00 H new ATOM 0 HA LYS A 9 5.663 -10.333 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.029 -10.248 9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.122 -8.820 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.582 -10.625 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.966 -10.234 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.209 -12.533 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.856 -12.072 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.330 -13.815 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.246 -12.339 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.360 -13.992 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.918 -12.374 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.832 -13.496 8.505 1.00 0.00 H new ATOM 102 N VAL A 10 4.906 -8.532 5.158 1.00 0.00 N ATOM 103 CA VAL A 10 4.451 -7.498 4.236 1.00 0.00 C ATOM 104 C VAL A 10 2.943 -7.577 4.025 1.00 0.00 C ATOM 105 O VAL A 10 2.286 -8.502 4.502 1.00 0.00 O ATOM 106 CB VAL A 10 5.156 -7.612 2.872 1.00 0.00 C ATOM 107 CG1 VAL A 10 6.653 -7.809 3.058 1.00 0.00 C ATOM 108 CG2 VAL A 10 4.559 -8.750 2.057 1.00 0.00 C ATOM 0 H VAL A 10 5.074 -9.440 4.724 1.00 0.00 H new ATOM 0 HA VAL A 10 4.703 -6.538 4.687 1.00 0.00 H new ATOM 0 HB VAL A 10 5.001 -6.682 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.134 -7.887 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.067 -6.959 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.832 -8.722 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.069 -8.816 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.681 -9.688 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.498 -8.562 1.892 1.00 0.00 H new ATOM 118 N ARG A 11 2.400 -6.599 3.306 1.00 0.00 N ATOM 119 CA ARG A 11 0.970 -6.555 3.032 1.00 0.00 C ATOM 120 C ARG A 11 0.698 -5.954 1.657 1.00 0.00 C ATOM 121 O ARG A 11 1.325 -4.970 1.263 1.00 0.00 O ATOM 122 CB ARG A 11 0.246 -5.743 4.108 1.00 0.00 C ATOM 123 CG ARG A 11 0.846 -5.901 5.495 1.00 0.00 C ATOM 124 CD ARG A 11 -0.196 -5.684 6.581 1.00 0.00 C ATOM 125 NE ARG A 11 0.404 -5.235 7.835 1.00 0.00 N ATOM 126 CZ ARG A 11 -0.186 -5.360 9.018 1.00 0.00 C ATOM 127 NH1 ARG A 11 -1.384 -5.918 9.110 1.00 0.00 N ATOM 128 NH2 ARG A 11 0.426 -4.928 10.114 1.00 0.00 N ATOM 0 H ARG A 11 2.930 -5.826 2.903 1.00 0.00 H new ATOM 0 HA ARG A 11 0.593 -7.578 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.265 -4.689 3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.801 -6.046 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.275 -6.898 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.661 -5.188 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.923 -4.946 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.740 -6.613 6.752 1.00 0.00 H new ATOM 0 HE ARG A 11 1.327 -4.802 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.856 -6.253 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.834 -6.012 10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.349 -4.500 10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.027 -5.024 11.023 1.00 0.00 H new ATOM 142 N ARG A 12 -0.242 -6.551 0.930 1.00 0.00 N ATOM 143 CA ARG A 12 -0.595 -6.075 -0.403 1.00 0.00 C ATOM 144 C ARG A 12 -2.024 -5.539 -0.426 1.00 0.00 C ATOM 145 O ARG A 12 -2.977 -6.271 -0.158 1.00 0.00 O ATOM 146 CB ARG A 12 -0.444 -7.202 -1.427 1.00 0.00 C ATOM 147 CG ARG A 12 0.948 -7.293 -2.030 1.00 0.00 C ATOM 148 CD ARG A 12 0.959 -8.174 -3.270 1.00 0.00 C ATOM 149 NE ARG A 12 2.270 -8.194 -3.914 1.00 0.00 N ATOM 150 CZ ARG A 12 2.511 -8.801 -5.071 1.00 0.00 C ATOM 151 NH1 ARG A 12 1.535 -9.433 -5.708 1.00 0.00 N ATOM 152 NH2 ARG A 12 3.731 -8.775 -5.593 1.00 0.00 N ATOM 0 H ARG A 12 -0.772 -7.365 1.242 1.00 0.00 H new ATOM 0 HA ARG A 12 0.084 -5.264 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.687 -8.151 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.169 -7.054 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.300 -6.294 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.641 -7.694 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.674 -9.190 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.213 -7.813 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 12 3.042 -7.716 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.596 -9.454 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.723 -9.898 -6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.484 -8.289 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.916 -9.241 -6.481 1.00 0.00 H new ATOM 166 N VAL A 13 -2.163 -4.257 -0.749 1.00 0.00 N ATOM 167 CA VAL A 13 -3.475 -3.622 -0.809 1.00 0.00 C ATOM 168 C VAL A 13 -3.691 -2.931 -2.151 1.00 0.00 C ATOM 169 O VAL A 13 -2.779 -2.851 -2.973 1.00 0.00 O ATOM 170 CB VAL A 13 -3.652 -2.591 0.322 1.00 0.00 C ATOM 171 CG1 VAL A 13 -3.431 -3.243 1.678 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.705 -1.417 0.125 1.00 0.00 C ATOM 0 H VAL A 13 -1.384 -3.638 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.215 -4.413 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.674 -2.213 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.560 -2.500 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.153 -4.047 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.421 -3.650 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.843 -0.698 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.676 -1.775 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.917 -0.935 -0.830 1.00 0.00 H new ATOM 182 N LYS A 14 -4.903 -2.433 -2.365 1.00 0.00 N ATOM 183 CA LYS A 14 -5.240 -1.746 -3.605 1.00 0.00 C ATOM 184 C LYS A 14 -6.071 -0.497 -3.328 1.00 0.00 C ATOM 185 O LYS A 14 -7.079 -0.553 -2.623 1.00 0.00 O ATOM 186 CB LYS A 14 -6.008 -2.684 -4.540 1.00 0.00 C ATOM 187 CG LYS A 14 -6.364 -2.055 -5.876 1.00 0.00 C ATOM 188 CD LYS A 14 -7.650 -2.636 -6.440 1.00 0.00 C ATOM 189 CE LYS A 14 -7.685 -2.541 -7.957 1.00 0.00 C ATOM 190 NZ LYS A 14 -9.062 -2.730 -8.493 1.00 0.00 N ATOM 0 H LYS A 14 -5.669 -2.492 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.310 -1.443 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.409 -3.577 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.924 -3.007 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.473 -0.977 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.550 -2.215 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.743 -3.679 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.505 -2.105 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.304 -1.568 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.023 -3.294 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.044 -2.658 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.416 -3.668 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.689 -1.996 -8.106 1.00 0.00 H new ATOM 204 N THR A 15 -5.643 0.630 -3.889 1.00 0.00 N ATOM 205 CA THR A 15 -6.346 1.892 -3.702 1.00 0.00 C ATOM 206 C THR A 15 -7.767 1.815 -4.249 1.00 0.00 C ATOM 207 O THR A 15 -7.998 2.041 -5.438 1.00 0.00 O ATOM 208 CB THR A 15 -5.607 3.056 -4.388 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.435 2.772 -5.781 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.250 3.290 -3.742 1.00 0.00 C ATOM 0 H THR A 15 -4.812 0.694 -4.477 1.00 0.00 H new ATOM 0 HA THR A 15 -6.381 2.077 -2.628 1.00 0.00 H new ATOM 0 HB THR A 15 -6.207 3.958 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.863 3.475 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.746 4.117 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.386 3.533 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.644 2.388 -3.831 1.00 0.00 H new ATOM 218 N ILE A 16 -8.717 1.496 -3.376 1.00 0.00 N ATOM 219 CA ILE A 16 -10.115 1.392 -3.773 1.00 0.00 C ATOM 220 C ILE A 16 -10.733 2.771 -3.981 1.00 0.00 C ATOM 221 O ILE A 16 -11.862 2.892 -4.454 1.00 0.00 O ATOM 222 CB ILE A 16 -10.942 0.625 -2.724 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.668 1.175 -1.324 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.626 -0.863 -2.786 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.704 0.766 -0.300 1.00 0.00 C ATOM 0 H ILE A 16 -8.543 1.305 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.135 0.842 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.000 0.762 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.687 0.832 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.626 2.263 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.218 -1.392 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.868 -1.245 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.566 -1.018 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.445 1.192 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.684 1.132 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.730 -0.321 -0.223 1.00 0.00 H new ATOM 237 N TYR A 17 -9.982 3.808 -3.624 1.00 0.00 N ATOM 238 CA TYR A 17 -10.456 5.179 -3.770 1.00 0.00 C ATOM 239 C TYR A 17 -9.336 6.092 -4.260 1.00 0.00 C ATOM 240 O TYR A 17 -8.155 5.792 -4.086 1.00 0.00 O ATOM 241 CB TYR A 17 -11.006 5.696 -2.440 1.00 0.00 C ATOM 242 CG TYR A 17 -12.127 4.849 -1.878 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.155 4.394 -2.695 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.157 4.507 -0.532 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.181 3.621 -2.185 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.179 3.733 -0.016 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.189 3.293 -0.846 1.00 0.00 C ATOM 248 OH TYR A 17 -15.208 2.524 -0.335 1.00 0.00 O ATOM 0 H TYR A 17 -9.044 3.725 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.255 5.183 -4.511 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.195 5.739 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.366 6.716 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.152 4.648 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.369 4.851 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.973 3.275 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.187 3.474 1.032 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.063 2.384 0.624 1.00 0.00 H new ATOM 258 N ASP A 18 -9.717 7.209 -4.871 1.00 0.00 N ATOM 259 CA ASP A 18 -8.746 8.168 -5.384 1.00 0.00 C ATOM 260 C ASP A 18 -8.237 9.076 -4.268 1.00 0.00 C ATOM 261 O ASP A 18 -8.999 9.489 -3.394 1.00 0.00 O ATOM 262 CB ASP A 18 -9.370 9.010 -6.498 1.00 0.00 C ATOM 263 CG ASP A 18 -10.647 9.697 -6.058 1.00 0.00 C ATOM 264 OD1 ASP A 18 -10.558 10.784 -5.448 1.00 0.00 O ATOM 265 OD2 ASP A 18 -11.737 9.149 -6.325 1.00 0.00 O ATOM 0 H ASP A 18 -10.691 7.472 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.901 7.611 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.652 9.761 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.581 8.372 -7.357 1.00 0.00 H new ATOM 270 N CYS A 19 -6.944 9.381 -4.305 1.00 0.00 N ATOM 271 CA CYS A 19 -6.332 10.238 -3.295 1.00 0.00 C ATOM 272 C CYS A 19 -5.204 11.068 -3.899 1.00 0.00 C ATOM 273 O CYS A 19 -4.183 10.528 -4.325 1.00 0.00 O ATOM 274 CB CYS A 19 -5.798 9.395 -2.137 1.00 0.00 C ATOM 275 SG CYS A 19 -5.754 10.264 -0.551 1.00 0.00 S ATOM 0 H CYS A 19 -6.300 9.048 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.097 10.917 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.418 8.504 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.791 9.057 -2.382 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.825 9.980 0.129 1.00 0.00 H new ATOM 281 N GLN A 20 -5.396 12.383 -3.932 1.00 0.00 N ATOM 282 CA GLN A 20 -4.395 13.286 -4.486 1.00 0.00 C ATOM 283 C GLN A 20 -3.611 13.977 -3.375 1.00 0.00 C ATOM 284 O GLN A 20 -4.013 15.028 -2.879 1.00 0.00 O ATOM 285 CB GLN A 20 -5.061 14.333 -5.381 1.00 0.00 C ATOM 286 CG GLN A 20 -4.073 15.194 -6.151 1.00 0.00 C ATOM 287 CD GLN A 20 -3.573 14.522 -7.415 1.00 0.00 C ATOM 288 OE1 GLN A 20 -4.061 13.459 -7.801 1.00 0.00 O ATOM 289 NE2 GLN A 20 -2.595 15.138 -8.066 1.00 0.00 N ATOM 0 H GLN A 20 -6.235 12.846 -3.582 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.701 12.695 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.718 13.828 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.689 14.977 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.547 16.140 -6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.224 15.429 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.220 16.017 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.218 14.732 -8.922 1.00 0.00 H new ATOM 298 N ALA A 21 -2.489 13.376 -2.990 1.00 0.00 N ATOM 299 CA ALA A 21 -1.647 13.935 -1.938 1.00 0.00 C ATOM 300 C ALA A 21 -0.932 15.193 -2.417 1.00 0.00 C ATOM 301 O ALA A 21 -0.368 15.219 -3.511 1.00 0.00 O ATOM 302 CB ALA A 21 -0.638 12.899 -1.466 1.00 0.00 C ATOM 0 H ALA A 21 -2.143 12.504 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.288 14.211 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.016 13.329 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.166 12.029 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.009 12.596 -2.303 1.00 0.00 H new ATOM 308 N ASP A 22 -0.959 16.234 -1.592 1.00 0.00 N ATOM 309 CA ASP A 22 -0.312 17.496 -1.932 1.00 0.00 C ATOM 310 C ASP A 22 1.097 17.558 -1.350 1.00 0.00 C ATOM 311 O ASP A 22 2.033 18.001 -2.013 1.00 0.00 O ATOM 312 CB ASP A 22 -1.142 18.673 -1.418 1.00 0.00 C ATOM 313 CG ASP A 22 -0.458 20.007 -1.645 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.247 20.372 -2.821 1.00 0.00 O ATOM 315 OD2 ASP A 22 -0.136 20.685 -0.648 1.00 0.00 O ATOM 0 H ASP A 22 -1.422 16.229 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.240 17.559 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.111 18.676 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.332 18.542 -0.353 1.00 0.00 H new ATOM 320 N ASN A 23 1.238 17.113 -0.106 1.00 0.00 N ATOM 321 CA ASN A 23 2.532 17.120 0.566 1.00 0.00 C ATOM 322 C ASN A 23 3.384 15.936 0.118 1.00 0.00 C ATOM 323 O ASN A 23 2.897 15.026 -0.552 1.00 0.00 O ATOM 324 CB ASN A 23 2.342 17.081 2.084 1.00 0.00 C ATOM 325 CG ASN A 23 2.226 18.467 2.688 1.00 0.00 C ATOM 326 OD1 ASN A 23 3.229 19.151 2.901 1.00 0.00 O ATOM 327 ND2 ASN A 23 0.999 18.891 2.966 1.00 0.00 N ATOM 0 H ASN A 23 0.472 16.743 0.457 1.00 0.00 H new ATOM 0 HA ASN A 23 3.049 18.040 0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.445 16.508 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.183 16.558 2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.859 19.816 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.196 18.292 2.773 1.00 0.00 H new ATOM 334 N ASP A 24 4.658 15.955 0.495 1.00 0.00 N ATOM 335 CA ASP A 24 5.578 14.883 0.133 1.00 0.00 C ATOM 336 C ASP A 24 5.274 13.616 0.927 1.00 0.00 C ATOM 337 O ASP A 24 5.107 12.538 0.355 1.00 0.00 O ATOM 338 CB ASP A 24 7.024 15.318 0.380 1.00 0.00 C ATOM 339 CG ASP A 24 7.959 14.140 0.569 1.00 0.00 C ATOM 340 OD1 ASP A 24 8.031 13.289 -0.342 1.00 0.00 O ATOM 341 OD2 ASP A 24 8.617 14.068 1.627 1.00 0.00 O ATOM 0 H ASP A 24 5.077 16.701 1.051 1.00 0.00 H new ATOM 0 HA ASP A 24 5.447 14.667 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.368 15.920 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.063 15.954 1.264 1.00 0.00 H new ATOM 346 N ASP A 25 5.203 13.752 2.246 1.00 0.00 N ATOM 347 CA ASP A 25 4.918 12.618 3.118 1.00 0.00 C ATOM 348 C ASP A 25 3.742 11.805 2.585 1.00 0.00 C ATOM 349 O ASP A 25 3.792 10.577 2.549 1.00 0.00 O ATOM 350 CB ASP A 25 4.617 13.103 4.538 1.00 0.00 C ATOM 351 CG ASP A 25 3.774 14.362 4.554 1.00 0.00 C ATOM 352 OD1 ASP A 25 4.352 15.464 4.456 1.00 0.00 O ATOM 353 OD2 ASP A 25 2.535 14.246 4.665 1.00 0.00 O ATOM 0 H ASP A 25 5.339 14.636 2.736 1.00 0.00 H new ATOM 0 HA ASP A 25 5.799 11.977 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.099 12.316 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.555 13.291 5.061 1.00 0.00 H new ATOM 358 N GLU A 26 2.686 12.500 2.175 1.00 0.00 N ATOM 359 CA GLU A 26 1.498 11.841 1.647 1.00 0.00 C ATOM 360 C GLU A 26 1.756 11.295 0.244 1.00 0.00 C ATOM 361 O GLU A 26 2.187 12.026 -0.648 1.00 0.00 O ATOM 362 CB GLU A 26 0.317 12.814 1.617 1.00 0.00 C ATOM 363 CG GLU A 26 -0.271 13.097 2.988 1.00 0.00 C ATOM 364 CD GLU A 26 -1.277 14.232 2.968 1.00 0.00 C ATOM 365 OE1 GLU A 26 -2.452 13.979 2.628 1.00 0.00 O ATOM 366 OE2 GLU A 26 -0.889 15.374 3.292 1.00 0.00 O ATOM 0 H GLU A 26 2.629 13.518 2.198 1.00 0.00 H new ATOM 0 HA GLU A 26 1.255 11.007 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.642 13.753 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.463 12.407 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.753 12.195 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.534 13.342 3.681 1.00 0.00 H new ATOM 373 N LEU A 27 1.491 10.006 0.060 1.00 0.00 N ATOM 374 CA LEU A 27 1.695 9.362 -1.233 1.00 0.00 C ATOM 375 C LEU A 27 0.523 9.637 -2.170 1.00 0.00 C ATOM 376 O LEU A 27 -0.639 9.511 -1.783 1.00 0.00 O ATOM 377 CB LEU A 27 1.872 7.853 -1.050 1.00 0.00 C ATOM 378 CG LEU A 27 2.089 7.043 -2.328 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.429 7.388 -2.959 1.00 0.00 C ATOM 380 CD2 LEU A 27 2.003 5.552 -2.036 1.00 0.00 C ATOM 0 H LEU A 27 1.135 9.387 0.789 1.00 0.00 H new ATOM 0 HA LEU A 27 2.598 9.777 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.722 7.685 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.990 7.463 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 27 1.301 7.300 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.565 6.801 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.453 8.449 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.231 7.161 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.160 4.991 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.769 5.279 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.019 5.317 -1.631 1.00 0.00 H new ATOM 392 N THR A 28 0.837 10.012 -3.406 1.00 0.00 N ATOM 393 CA THR A 28 -0.190 10.304 -4.399 1.00 0.00 C ATOM 394 C THR A 28 -0.530 9.065 -5.220 1.00 0.00 C ATOM 395 O THR A 28 0.343 8.465 -5.846 1.00 0.00 O ATOM 396 CB THR A 28 0.254 11.430 -5.352 1.00 0.00 C ATOM 397 OG1 THR A 28 0.740 12.547 -4.597 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.897 11.875 -6.240 1.00 0.00 C ATOM 0 H THR A 28 1.793 10.121 -3.743 1.00 0.00 H new ATOM 0 HA THR A 28 -1.075 10.628 -3.852 1.00 0.00 H new ATOM 0 HB THR A 28 1.052 11.044 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.033 13.221 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.558 12.671 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.245 11.030 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.714 12.244 -5.619 1.00 0.00 H new ATOM 406 N PHE A 29 -1.804 8.688 -5.213 1.00 0.00 N ATOM 407 CA PHE A 29 -2.259 7.520 -5.957 1.00 0.00 C ATOM 408 C PHE A 29 -3.687 7.716 -6.458 1.00 0.00 C ATOM 409 O PHE A 29 -4.345 8.700 -6.119 1.00 0.00 O ATOM 410 CB PHE A 29 -2.182 6.268 -5.079 1.00 0.00 C ATOM 411 CG PHE A 29 -2.981 6.374 -3.813 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.334 6.075 -3.804 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.381 6.773 -2.629 1.00 0.00 C ATOM 414 CE1 PHE A 29 -5.072 6.172 -2.641 1.00 0.00 C ATOM 415 CE2 PHE A 29 -3.113 6.871 -1.462 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.462 6.570 -1.468 1.00 0.00 C ATOM 0 H PHE A 29 -2.539 9.174 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.605 7.392 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.535 5.410 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.139 6.075 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.817 5.762 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.327 7.010 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.126 5.937 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.632 7.182 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.038 6.646 -0.557 1.00 0.00 H new ATOM 426 N ILE A 30 -4.159 6.773 -7.266 1.00 0.00 N ATOM 427 CA ILE A 30 -5.508 6.842 -7.814 1.00 0.00 C ATOM 428 C ILE A 30 -6.211 5.491 -7.716 1.00 0.00 C ATOM 429 O ILE A 30 -5.563 4.452 -7.603 1.00 0.00 O ATOM 430 CB ILE A 30 -5.496 7.297 -9.285 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.656 6.339 -10.132 1.00 0.00 C ATOM 432 CG2 ILE A 30 -4.964 8.717 -9.395 1.00 0.00 C ATOM 433 CD1 ILE A 30 -4.995 6.378 -11.605 1.00 0.00 C ATOM 0 H ILE A 30 -3.627 5.952 -7.556 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.053 7.576 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.518 7.283 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.601 6.583 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.795 5.323 -9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.962 9.025 -10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.601 9.390 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.948 8.756 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.360 5.674 -12.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.041 6.104 -11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.828 7.384 -11.990 1.00 0.00 H new ATOM 445 N GLU A 31 -7.538 5.516 -7.765 1.00 0.00 N ATOM 446 CA GLU A 31 -8.328 4.293 -7.683 1.00 0.00 C ATOM 447 C GLU A 31 -7.913 3.304 -8.769 1.00 0.00 C ATOM 448 O GLU A 31 -8.137 3.538 -9.956 1.00 0.00 O ATOM 449 CB GLU A 31 -9.820 4.613 -7.813 1.00 0.00 C ATOM 450 CG GLU A 31 -10.714 3.387 -7.736 1.00 0.00 C ATOM 451 CD GLU A 31 -12.041 3.590 -8.440 1.00 0.00 C ATOM 452 OE1 GLU A 31 -12.809 4.477 -8.012 1.00 0.00 O ATOM 453 OE2 GLU A 31 -12.314 2.861 -9.416 1.00 0.00 O ATOM 0 H GLU A 31 -8.089 6.369 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.145 3.837 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.104 5.309 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.993 5.119 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.197 2.536 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.896 3.139 -6.690 1.00 0.00 H new ATOM 460 N GLY A 32 -7.305 2.198 -8.351 1.00 0.00 N ATOM 461 CA GLY A 32 -6.867 1.190 -9.299 1.00 0.00 C ATOM 462 C GLY A 32 -5.375 0.933 -9.225 1.00 0.00 C ATOM 463 O GLY A 32 -4.795 0.344 -10.136 1.00 0.00 O ATOM 0 H GLY A 32 -7.108 1.982 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.403 0.260 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.128 1.507 -10.309 1.00 0.00 H new ATOM 467 N GLU A 33 -4.753 1.378 -8.137 1.00 0.00 N ATOM 468 CA GLU A 33 -3.319 1.196 -7.950 1.00 0.00 C ATOM 469 C GLU A 33 -3.039 0.134 -6.891 1.00 0.00 C ATOM 470 O GLU A 33 -3.951 -0.335 -6.210 1.00 0.00 O ATOM 471 CB GLU A 33 -2.662 2.518 -7.548 1.00 0.00 C ATOM 472 CG GLU A 33 -2.688 3.569 -8.645 1.00 0.00 C ATOM 473 CD GLU A 33 -1.506 4.516 -8.573 1.00 0.00 C ATOM 474 OE1 GLU A 33 -0.991 4.739 -7.457 1.00 0.00 O ATOM 475 OE2 GLU A 33 -1.097 5.037 -9.631 1.00 0.00 O ATOM 0 H GLU A 33 -5.220 1.867 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.895 0.861 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.168 2.912 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.627 2.328 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.694 3.075 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.613 4.142 -8.573 1.00 0.00 H new ATOM 482 N VAL A 34 -1.771 -0.242 -6.759 1.00 0.00 N ATOM 483 CA VAL A 34 -1.370 -1.249 -5.783 1.00 0.00 C ATOM 484 C VAL A 34 -0.160 -0.785 -4.981 1.00 0.00 C ATOM 485 O VAL A 34 0.918 -0.563 -5.536 1.00 0.00 O ATOM 486 CB VAL A 34 -1.037 -2.590 -6.464 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.588 -3.615 -5.434 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.238 -3.101 -7.247 1.00 0.00 C ATOM 0 H VAL A 34 -1.004 0.135 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.216 -1.392 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.216 -2.429 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.357 -4.556 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.301 -3.249 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.386 -3.776 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.986 -4.049 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.079 -3.247 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.510 -2.373 -8.011 1.00 0.00 H new ATOM 498 N ILE A 35 -0.343 -0.641 -3.673 1.00 0.00 N ATOM 499 CA ILE A 35 0.735 -0.205 -2.794 1.00 0.00 C ATOM 500 C ILE A 35 1.365 -1.388 -2.067 1.00 0.00 C ATOM 501 O ILE A 35 0.692 -2.373 -1.765 1.00 0.00 O ATOM 502 CB ILE A 35 0.235 0.815 -1.753 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.426 2.005 -2.451 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.387 1.282 -0.875 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.333 2.808 -1.544 1.00 0.00 C ATOM 0 H ILE A 35 -1.228 -0.820 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 35 1.484 0.271 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.508 0.332 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.350 2.660 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.004 1.643 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.019 2.002 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.819 0.426 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.150 1.752 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.768 3.636 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.130 2.167 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.756 3.200 -0.707 1.00 0.00 H new ATOM 517 N ILE A 36 2.660 -1.284 -1.789 1.00 0.00 N ATOM 518 CA ILE A 36 3.380 -2.345 -1.095 1.00 0.00 C ATOM 519 C ILE A 36 3.772 -1.913 0.313 1.00 0.00 C ATOM 520 O ILE A 36 4.701 -1.126 0.498 1.00 0.00 O ATOM 521 CB ILE A 36 4.649 -2.759 -1.864 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.287 -3.222 -3.277 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.386 -3.859 -1.114 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.472 -4.495 -3.307 1.00 0.00 C ATOM 0 H ILE A 36 3.232 -0.476 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 36 2.705 -3.199 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 36 5.307 -1.894 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.728 -2.431 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.204 -3.374 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.281 -4.141 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.671 -3.498 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.735 -4.727 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.253 -4.762 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.037 -5.300 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.538 -4.342 -2.766 1.00 0.00 H new ATOM 536 N VAL A 37 3.056 -2.432 1.307 1.00 0.00 N ATOM 537 CA VAL A 37 3.330 -2.103 2.700 1.00 0.00 C ATOM 538 C VAL A 37 4.707 -2.604 3.122 1.00 0.00 C ATOM 539 O VAL A 37 4.950 -3.810 3.182 1.00 0.00 O ATOM 540 CB VAL A 37 2.268 -2.704 3.638 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.470 -2.210 5.062 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.868 -2.367 3.143 1.00 0.00 C ATOM 0 H VAL A 37 2.282 -3.082 1.172 1.00 0.00 H new ATOM 0 HA VAL A 37 3.301 -1.016 2.780 1.00 0.00 H new ATOM 0 HB VAL A 37 2.380 -3.788 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.709 -2.646 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.459 -2.506 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.387 -1.123 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.129 -2.800 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.743 -1.285 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.728 -2.775 2.142 1.00 0.00 H new ATOM 552 N THR A 38 5.607 -1.670 3.416 1.00 0.00 N ATOM 553 CA THR A 38 6.959 -2.017 3.833 1.00 0.00 C ATOM 554 C THR A 38 7.298 -1.388 5.179 1.00 0.00 C ATOM 555 O THR A 38 8.073 -1.943 5.958 1.00 0.00 O ATOM 556 CB THR A 38 8.001 -1.564 2.792 1.00 0.00 C ATOM 557 OG1 THR A 38 7.872 -0.159 2.550 1.00 0.00 O ATOM 558 CG2 THR A 38 7.829 -2.328 1.487 1.00 0.00 C ATOM 0 H THR A 38 5.423 -0.668 3.373 1.00 0.00 H new ATOM 0 HA THR A 38 6.993 -3.103 3.923 1.00 0.00 H new ATOM 0 HB THR A 38 8.994 -1.774 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.539 0.122 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.575 -1.991 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.957 -3.395 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.831 -2.146 1.087 1.00 0.00 H new ATOM 566 N GLY A 39 6.710 -0.227 5.450 1.00 0.00 N ATOM 567 CA GLY A 39 6.961 0.458 6.705 1.00 0.00 C ATOM 568 C GLY A 39 5.683 0.882 7.400 1.00 0.00 C ATOM 569 O GLY A 39 5.570 2.015 7.865 1.00 0.00 O ATOM 0 H GLY A 39 6.064 0.252 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.530 -0.197 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.578 1.337 6.518 1.00 0.00 H new ATOM 573 N GLU A 40 4.718 -0.030 7.469 1.00 0.00 N ATOM 574 CA GLU A 40 3.440 0.259 8.110 1.00 0.00 C ATOM 575 C GLU A 40 3.642 1.090 9.374 1.00 0.00 C ATOM 576 O GLU A 40 4.253 0.634 10.339 1.00 0.00 O ATOM 577 CB GLU A 40 2.712 -1.042 8.454 1.00 0.00 C ATOM 578 CG GLU A 40 3.395 -1.853 9.543 1.00 0.00 C ATOM 579 CD GLU A 40 4.882 -2.023 9.299 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.249 -2.838 8.426 1.00 0.00 O ATOM 581 OE2 GLU A 40 5.678 -1.343 9.979 1.00 0.00 O ATOM 0 H GLU A 40 4.797 -0.974 7.090 1.00 0.00 H new ATOM 0 HA GLU A 40 2.833 0.833 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.696 -0.807 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.632 -1.652 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.242 -1.364 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.927 -2.835 9.607 1.00 0.00 H new ATOM 588 N GLU A 41 3.123 2.314 9.358 1.00 0.00 N ATOM 589 CA GLU A 41 3.246 3.210 10.502 1.00 0.00 C ATOM 590 C GLU A 41 2.298 2.795 11.623 1.00 0.00 C ATOM 591 O GLU A 41 2.733 2.356 12.688 1.00 0.00 O ATOM 592 CB GLU A 41 2.957 4.653 10.082 1.00 0.00 C ATOM 593 CG GLU A 41 4.190 5.412 9.624 1.00 0.00 C ATOM 594 CD GLU A 41 4.895 6.122 10.765 1.00 0.00 C ATOM 595 OE1 GLU A 41 5.657 5.458 11.497 1.00 0.00 O ATOM 596 OE2 GLU A 41 4.683 7.342 10.924 1.00 0.00 O ATOM 0 H GLU A 41 2.614 2.707 8.566 1.00 0.00 H new ATOM 0 HA GLU A 41 4.269 3.145 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.224 4.648 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.505 5.183 10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.884 4.718 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.902 6.143 8.868 1.00 0.00 H new ATOM 603 N ASP A 42 1.000 2.939 11.376 1.00 0.00 N ATOM 604 CA ASP A 42 -0.010 2.579 12.364 1.00 0.00 C ATOM 605 C ASP A 42 -1.042 1.628 11.764 1.00 0.00 C ATOM 606 O ASP A 42 -1.002 1.328 10.571 1.00 0.00 O ATOM 607 CB ASP A 42 -0.705 3.834 12.894 1.00 0.00 C ATOM 608 CG ASP A 42 0.249 5.003 13.048 1.00 0.00 C ATOM 609 OD1 ASP A 42 1.390 4.782 13.505 1.00 0.00 O ATOM 610 OD2 ASP A 42 -0.145 6.139 12.711 1.00 0.00 O ATOM 0 H ASP A 42 0.623 3.302 10.501 1.00 0.00 H new ATOM 0 HA ASP A 42 0.489 2.072 13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.511 4.113 12.215 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.163 3.613 13.858 1.00 0.00 H new ATOM 615 N GLN A 43 -1.961 1.157 12.600 1.00 0.00 N ATOM 616 CA GLN A 43 -3.001 0.239 12.152 1.00 0.00 C ATOM 617 C GLN A 43 -3.972 0.935 11.205 1.00 0.00 C ATOM 618 O GLN A 43 -4.693 0.283 10.450 1.00 0.00 O ATOM 619 CB GLN A 43 -3.760 -0.330 13.352 1.00 0.00 C ATOM 620 CG GLN A 43 -2.937 -1.294 14.192 1.00 0.00 C ATOM 621 CD GLN A 43 -1.964 -0.581 15.111 1.00 0.00 C ATOM 622 OE1 GLN A 43 -2.320 0.390 15.779 1.00 0.00 O ATOM 623 NE2 GLN A 43 -0.726 -1.061 15.151 1.00 0.00 N ATOM 0 H GLN A 43 -2.007 1.396 13.591 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.521 -0.578 11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.095 0.493 13.983 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.653 -0.843 12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.607 -1.914 14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.385 -1.964 13.533 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.473 -1.868 14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.028 -0.623 15.752 1.00 0.00 H new ATOM 632 N GLU A 44 -3.986 2.264 11.251 1.00 0.00 N ATOM 633 CA GLU A 44 -4.870 3.048 10.398 1.00 0.00 C ATOM 634 C GLU A 44 -4.102 3.650 9.224 1.00 0.00 C ATOM 635 O GLU A 44 -4.693 4.044 8.219 1.00 0.00 O ATOM 636 CB GLU A 44 -5.542 4.161 11.206 1.00 0.00 C ATOM 637 CG GLU A 44 -6.436 3.647 12.322 1.00 0.00 C ATOM 638 CD GLU A 44 -7.292 4.740 12.933 1.00 0.00 C ATOM 639 OE1 GLU A 44 -6.720 5.690 13.509 1.00 0.00 O ATOM 640 OE2 GLU A 44 -8.533 4.646 12.834 1.00 0.00 O ATOM 0 H GLU A 44 -3.395 2.819 11.870 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.637 2.381 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.772 4.803 11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.135 4.780 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.082 2.860 11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.818 3.197 13.099 1.00 0.00 H new ATOM 647 N TRP A 45 -2.783 3.716 9.362 1.00 0.00 N ATOM 648 CA TRP A 45 -1.933 4.270 8.313 1.00 0.00 C ATOM 649 C TRP A 45 -0.754 3.347 8.024 1.00 0.00 C ATOM 650 O TRP A 45 -0.070 2.893 8.942 1.00 0.00 O ATOM 651 CB TRP A 45 -1.425 5.655 8.719 1.00 0.00 C ATOM 652 CG TRP A 45 -2.507 6.690 8.780 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.456 6.828 9.752 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.752 7.729 7.826 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.276 7.891 9.461 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.865 8.462 8.286 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.140 8.116 6.631 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.376 9.554 7.590 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.647 9.200 5.942 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.756 9.910 6.423 1.00 0.00 C ATOM 0 H TRP A 45 -2.279 3.394 10.188 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.530 4.361 7.406 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.943 5.586 9.694 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.663 5.977 8.009 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.548 6.194 10.622 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -5.064 8.204 10.028 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.285 7.576 6.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.231 10.101 7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.181 9.506 5.017 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.128 10.754 5.862 1.00 0.00 H new ATOM 671 N TRP A 46 -0.521 3.075 6.745 1.00 0.00 N ATOM 672 CA TRP A 46 0.576 2.205 6.337 1.00 0.00 C ATOM 673 C TRP A 46 1.497 2.918 5.353 1.00 0.00 C ATOM 674 O TRP A 46 1.128 3.938 4.770 1.00 0.00 O ATOM 675 CB TRP A 46 0.031 0.923 5.706 1.00 0.00 C ATOM 676 CG TRP A 46 -0.569 -0.021 6.704 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.408 0.009 8.060 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.424 -1.135 6.424 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.112 -1.020 8.640 1.00 0.00 N ATOM 680 CE2 TRP A 46 -1.744 -1.735 7.657 1.00 0.00 C ATOM 681 CE3 TRP A 46 -1.952 -1.682 5.251 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.566 -2.855 7.749 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -2.768 -2.794 5.343 1.00 0.00 C ATOM 684 CH2 TRP A 46 -3.070 -3.370 6.585 1.00 0.00 C ATOM 0 H TRP A 46 -1.077 3.444 5.973 1.00 0.00 H new ATOM 0 HA TRP A 46 1.152 1.947 7.226 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.724 1.184 4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.837 0.416 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.185 0.734 8.598 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.156 -1.219 9.639 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.726 -1.244 4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -2.798 -3.302 8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.180 -3.226 4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.713 -4.237 6.624 1.00 0.00 H new ATOM 695 N ILE A 47 2.697 2.376 5.174 1.00 0.00 N ATOM 696 CA ILE A 47 3.670 2.961 4.259 1.00 0.00 C ATOM 697 C ILE A 47 4.093 1.957 3.192 1.00 0.00 C ATOM 698 O ILE A 47 4.428 0.813 3.498 1.00 0.00 O ATOM 699 CB ILE A 47 4.922 3.454 5.009 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.562 4.614 5.939 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.999 3.874 4.020 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.679 5.003 6.881 1.00 0.00 C ATOM 0 H ILE A 47 3.019 1.533 5.650 1.00 0.00 H new ATOM 0 HA ILE A 47 3.184 3.812 3.782 1.00 0.00 H new ATOM 0 HB ILE A 47 5.312 2.636 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.288 5.480 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.683 4.341 6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.878 4.220 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.271 3.023 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.621 4.680 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.353 5.831 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.939 4.151 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.552 5.308 6.304 1.00 0.00 H new ATOM 714 N GLY A 48 4.076 2.394 1.936 1.00 0.00 N ATOM 715 CA GLY A 48 4.462 1.522 0.842 1.00 0.00 C ATOM 716 C GLY A 48 4.725 2.284 -0.441 1.00 0.00 C ATOM 717 O GLY A 48 4.347 3.449 -0.570 1.00 0.00 O ATOM 0 H GLY A 48 3.802 3.336 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.358 0.968 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.674 0.789 0.670 1.00 0.00 H new ATOM 721 N HIS A 49 5.378 1.627 -1.395 1.00 0.00 N ATOM 722 CA HIS A 49 5.693 2.252 -2.675 1.00 0.00 C ATOM 723 C HIS A 49 4.775 1.727 -3.775 1.00 0.00 C ATOM 724 O HIS A 49 4.411 0.551 -3.786 1.00 0.00 O ATOM 725 CB HIS A 49 7.153 1.992 -3.048 1.00 0.00 C ATOM 726 CG HIS A 49 7.518 0.539 -3.067 1.00 0.00 C ATOM 727 ND1 HIS A 49 6.812 -0.404 -3.781 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.523 -0.129 -2.453 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.366 -1.591 -3.607 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.405 -1.451 -2.804 1.00 0.00 N ATOM 0 H HIS A 49 5.699 0.663 -1.306 1.00 0.00 H new ATOM 0 HA HIS A 49 5.537 3.326 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.350 2.420 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.798 2.511 -2.339 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.990 -0.215 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.276 0.298 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.027 -2.517 -4.046 1.00 0.00 H new ATOM 739 N ILE A 50 4.404 2.608 -4.699 1.00 0.00 N ATOM 740 CA ILE A 50 3.529 2.234 -5.802 1.00 0.00 C ATOM 741 C ILE A 50 4.125 1.087 -6.612 1.00 0.00 C ATOM 742 O ILE A 50 5.142 1.251 -7.282 1.00 0.00 O ATOM 743 CB ILE A 50 3.265 3.426 -6.741 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.439 4.495 -6.023 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.555 2.959 -8.004 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.185 3.954 -5.373 1.00 0.00 C ATOM 0 H ILE A 50 4.696 3.585 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 50 2.585 1.913 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 50 4.222 3.864 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.058 4.970 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.163 5.270 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.375 3.813 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.177 2.230 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.603 2.500 -7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.649 4.767 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.546 3.505 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.455 3.200 -4.634 1.00 0.00 H new ATOM 758 N GLU A 51 3.481 -0.075 -6.544 1.00 0.00 N ATOM 759 CA GLU A 51 3.947 -1.249 -7.272 1.00 0.00 C ATOM 760 C GLU A 51 4.551 -0.853 -8.616 1.00 0.00 C ATOM 761 O GLU A 51 3.979 -0.050 -9.352 1.00 0.00 O ATOM 762 CB GLU A 51 2.796 -2.233 -7.488 1.00 0.00 C ATOM 763 CG GLU A 51 3.254 -3.651 -7.784 1.00 0.00 C ATOM 764 CD GLU A 51 3.668 -3.840 -9.231 1.00 0.00 C ATOM 765 OE1 GLU A 51 2.958 -3.331 -10.123 1.00 0.00 O ATOM 766 OE2 GLU A 51 4.702 -4.497 -9.471 1.00 0.00 O ATOM 0 H GLU A 51 2.636 -0.228 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 51 4.720 -1.731 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.166 -2.242 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.178 -1.880 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.093 -3.901 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.449 -4.346 -7.547 1.00 0.00 H new ATOM 773 N GLY A 52 5.712 -1.421 -8.928 1.00 0.00 N ATOM 774 CA GLY A 52 6.375 -1.115 -10.182 1.00 0.00 C ATOM 775 C GLY A 52 7.151 0.186 -10.124 1.00 0.00 C ATOM 776 O GLY A 52 8.223 0.303 -10.719 1.00 0.00 O ATOM 0 H GLY A 52 6.205 -2.088 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.054 -1.928 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.632 -1.057 -10.978 1.00 0.00 H new ATOM 780 N GLN A 53 6.609 1.166 -9.407 1.00 0.00 N ATOM 781 CA GLN A 53 7.258 2.465 -9.277 1.00 0.00 C ATOM 782 C GLN A 53 7.771 2.677 -7.856 1.00 0.00 C ATOM 783 O GLN A 53 7.086 3.236 -7.000 1.00 0.00 O ATOM 784 CB GLN A 53 6.287 3.584 -9.653 1.00 0.00 C ATOM 785 CG GLN A 53 6.195 3.833 -11.151 1.00 0.00 C ATOM 786 CD GLN A 53 4.883 4.476 -11.556 1.00 0.00 C ATOM 787 OE1 GLN A 53 4.866 5.529 -12.193 1.00 0.00 O ATOM 788 NE2 GLN A 53 3.775 3.843 -11.189 1.00 0.00 N ATOM 0 H GLN A 53 5.723 1.085 -8.908 1.00 0.00 H new ATOM 0 HA GLN A 53 8.108 2.488 -9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.296 3.337 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.597 4.504 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.020 4.474 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.311 2.887 -11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.836 2.972 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.863 4.228 -11.435 1.00 0.00 H new ATOM 797 N PRO A 54 9.006 2.220 -7.598 1.00 0.00 N ATOM 798 CA PRO A 54 9.638 2.350 -6.281 1.00 0.00 C ATOM 799 C PRO A 54 9.996 3.794 -5.950 1.00 0.00 C ATOM 800 O PRO A 54 10.014 4.185 -4.783 1.00 0.00 O ATOM 801 CB PRO A 54 10.905 1.500 -6.412 1.00 0.00 C ATOM 802 CG PRO A 54 11.209 1.495 -7.871 1.00 0.00 C ATOM 803 CD PRO A 54 9.879 1.543 -8.571 1.00 0.00 C ATOM 0 HA PRO A 54 8.975 2.031 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.728 1.925 -5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.744 0.489 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.825 2.352 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.765 0.600 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.938 2.094 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.515 0.544 -8.811 1.00 0.00 H new ATOM 811 N GLU A 55 10.282 4.580 -6.983 1.00 0.00 N ATOM 812 CA GLU A 55 10.641 5.981 -6.799 1.00 0.00 C ATOM 813 C GLU A 55 9.604 6.701 -5.940 1.00 0.00 C ATOM 814 O GLU A 55 9.941 7.577 -5.145 1.00 0.00 O ATOM 815 CB GLU A 55 10.770 6.680 -8.154 1.00 0.00 C ATOM 816 CG GLU A 55 9.485 6.676 -8.965 1.00 0.00 C ATOM 817 CD GLU A 55 9.721 6.975 -10.433 1.00 0.00 C ATOM 818 OE1 GLU A 55 10.006 6.026 -11.193 1.00 0.00 O ATOM 819 OE2 GLU A 55 9.622 8.158 -10.821 1.00 0.00 O ATOM 0 H GLU A 55 10.272 4.271 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 55 11.602 6.018 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.085 7.711 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.556 6.193 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.002 5.703 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.798 7.415 -8.553 1.00 0.00 H new ATOM 826 N ARG A 56 8.341 6.322 -6.108 1.00 0.00 N ATOM 827 CA ARG A 56 7.255 6.931 -5.350 1.00 0.00 C ATOM 828 C ARG A 56 6.910 6.092 -4.123 1.00 0.00 C ATOM 829 O ARG A 56 6.380 4.988 -4.242 1.00 0.00 O ATOM 830 CB ARG A 56 6.016 7.093 -6.234 1.00 0.00 C ATOM 831 CG ARG A 56 5.908 6.045 -7.328 1.00 0.00 C ATOM 832 CD ARG A 56 4.652 6.239 -8.164 1.00 0.00 C ATOM 833 NE ARG A 56 4.285 7.648 -8.281 1.00 0.00 N ATOM 834 CZ ARG A 56 4.796 8.467 -9.192 1.00 0.00 C ATOM 835 NH1 ARG A 56 5.691 8.020 -10.062 1.00 0.00 N ATOM 836 NH2 ARG A 56 4.411 9.736 -9.235 1.00 0.00 N ATOM 0 H ARG A 56 8.045 5.597 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 56 7.586 7.914 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.125 7.046 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.033 8.083 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.786 6.097 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.899 5.051 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.810 5.822 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.828 5.686 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 56 3.598 8.023 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.988 7.045 -10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.082 8.651 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.722 10.083 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.804 10.365 -9.935 1.00 0.00 H new ATOM 850 N LYS A 57 7.215 6.625 -2.944 1.00 0.00 N ATOM 851 CA LYS A 57 6.938 5.926 -1.695 1.00 0.00 C ATOM 852 C LYS A 57 6.488 6.905 -0.614 1.00 0.00 C ATOM 853 O LYS A 57 7.209 7.840 -0.270 1.00 0.00 O ATOM 854 CB LYS A 57 8.180 5.166 -1.225 1.00 0.00 C ATOM 855 CG LYS A 57 9.426 6.029 -1.142 1.00 0.00 C ATOM 856 CD LYS A 57 10.655 5.204 -0.798 1.00 0.00 C ATOM 857 CE LYS A 57 11.938 5.934 -1.165 1.00 0.00 C ATOM 858 NZ LYS A 57 13.147 5.191 -0.712 1.00 0.00 N ATOM 0 H LYS A 57 7.654 7.538 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 57 6.132 5.215 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.982 4.734 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.368 4.336 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.582 6.536 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.284 6.803 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.656 4.978 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.614 4.251 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.981 6.073 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.932 6.927 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.001 5.721 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.119 5.080 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.166 4.253 -1.160 1.00 0.00 H new ATOM 872 N GLY A 58 5.292 6.680 -0.079 1.00 0.00 N ATOM 873 CA GLY A 58 4.768 7.549 0.958 1.00 0.00 C ATOM 874 C GLY A 58 3.673 6.887 1.771 1.00 0.00 C ATOM 875 O GLY A 58 3.101 5.880 1.353 1.00 0.00 O ATOM 0 H GLY A 58 4.677 5.911 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.579 7.847 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.378 8.459 0.502 1.00 0.00 H new ATOM 879 N VAL A 59 3.379 7.452 2.938 1.00 0.00 N ATOM 880 CA VAL A 59 2.345 6.911 3.812 1.00 0.00 C ATOM 881 C VAL A 59 0.954 7.173 3.245 1.00 0.00 C ATOM 882 O VAL A 59 0.686 8.244 2.699 1.00 0.00 O ATOM 883 CB VAL A 59 2.434 7.513 5.226 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.390 9.032 5.164 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.314 6.975 6.105 1.00 0.00 C ATOM 0 H VAL A 59 3.843 8.285 3.300 1.00 0.00 H new ATOM 0 HA VAL A 59 2.512 5.836 3.873 1.00 0.00 H new ATOM 0 HB VAL A 59 3.386 7.219 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.454 9.439 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.229 9.396 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.455 9.350 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.392 7.411 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.351 7.238 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.396 5.890 6.176 1.00 0.00 H new ATOM 895 N PHE A 60 0.071 6.189 3.380 1.00 0.00 N ATOM 896 CA PHE A 60 -1.294 6.314 2.881 1.00 0.00 C ATOM 897 C PHE A 60 -2.292 5.737 3.880 1.00 0.00 C ATOM 898 O PHE A 60 -1.997 4.798 4.620 1.00 0.00 O ATOM 899 CB PHE A 60 -1.434 5.601 1.535 1.00 0.00 C ATOM 900 CG PHE A 60 -1.013 4.160 1.572 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.327 3.817 1.652 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.958 3.147 1.528 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.717 2.491 1.686 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.574 1.820 1.562 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.235 1.492 1.643 1.00 0.00 C ATOM 0 H PHE A 60 0.276 5.297 3.830 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.511 7.374 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.472 5.659 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.836 6.127 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.076 4.595 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.007 3.398 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.765 2.237 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.320 1.040 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.067 0.456 1.673 1.00 0.00 H new ATOM 915 N PRO A 61 -3.503 6.313 3.905 1.00 0.00 N ATOM 916 CA PRO A 61 -4.571 5.874 4.809 1.00 0.00 C ATOM 917 C PRO A 61 -5.122 4.503 4.432 1.00 0.00 C ATOM 918 O PRO A 61 -5.675 4.322 3.347 1.00 0.00 O ATOM 919 CB PRO A 61 -5.647 6.948 4.636 1.00 0.00 C ATOM 920 CG PRO A 61 -5.410 7.506 3.276 1.00 0.00 C ATOM 921 CD PRO A 61 -3.924 7.437 3.052 1.00 0.00 C ATOM 0 HA PRO A 61 -4.218 5.767 5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.647 6.523 4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.562 7.720 5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.945 6.932 2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.767 8.534 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.683 7.258 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.431 8.366 3.339 1.00 0.00 H new ATOM 929 N VAL A 62 -4.968 3.539 5.335 1.00 0.00 N ATOM 930 CA VAL A 62 -5.452 2.184 5.097 1.00 0.00 C ATOM 931 C VAL A 62 -6.952 2.177 4.826 1.00 0.00 C ATOM 932 O VAL A 62 -7.472 1.269 4.175 1.00 0.00 O ATOM 933 CB VAL A 62 -5.154 1.264 6.296 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.719 -0.128 6.053 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.657 1.202 6.559 1.00 0.00 C ATOM 0 H VAL A 62 -4.512 3.671 6.238 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.925 1.808 4.220 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.639 1.678 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.499 -0.765 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.798 -0.064 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.265 -0.554 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.464 0.548 7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.149 0.811 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.284 2.202 6.779 1.00 0.00 H new ATOM 945 N SER A 63 -7.645 3.195 5.327 1.00 0.00 N ATOM 946 CA SER A 63 -9.087 3.304 5.142 1.00 0.00 C ATOM 947 C SER A 63 -9.428 3.577 3.680 1.00 0.00 C ATOM 948 O SER A 63 -10.586 3.485 3.273 1.00 0.00 O ATOM 949 CB SER A 63 -9.653 4.417 6.026 1.00 0.00 C ATOM 950 OG SER A 63 -9.713 4.011 7.382 1.00 0.00 O ATOM 0 H SER A 63 -7.230 3.956 5.864 1.00 0.00 H new ATOM 0 HA SER A 63 -9.538 2.355 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.031 5.308 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.650 4.689 5.680 1.00 0.00 H new ATOM 0 HG SER A 63 -10.076 4.741 7.926 1.00 0.00 H new ATOM 956 N PHE A 64 -8.409 3.912 2.894 1.00 0.00 N ATOM 957 CA PHE A 64 -8.600 4.201 1.478 1.00 0.00 C ATOM 958 C PHE A 64 -8.218 2.996 0.622 1.00 0.00 C ATOM 959 O PHE A 64 -8.591 2.908 -0.548 1.00 0.00 O ATOM 960 CB PHE A 64 -7.767 5.416 1.066 1.00 0.00 C ATOM 961 CG PHE A 64 -8.433 6.729 1.365 1.00 0.00 C ATOM 962 CD1 PHE A 64 -8.880 7.017 2.644 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.612 7.673 0.367 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.494 8.224 2.922 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.225 8.881 0.639 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.665 9.157 1.919 1.00 0.00 C ATOM 0 H PHE A 64 -7.444 3.990 3.214 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.655 4.421 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.807 5.379 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.559 5.358 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.747 6.291 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.268 7.462 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.840 8.437 3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.360 9.608 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.142 10.102 2.135 1.00 0.00 H new ATOM 976 N VAL A 65 -7.472 2.069 1.215 1.00 0.00 N ATOM 977 CA VAL A 65 -7.040 0.868 0.508 1.00 0.00 C ATOM 978 C VAL A 65 -7.680 -0.380 1.105 1.00 0.00 C ATOM 979 O VAL A 65 -8.143 -0.369 2.246 1.00 0.00 O ATOM 980 CB VAL A 65 -5.508 0.715 0.546 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.832 1.999 0.088 1.00 0.00 C ATOM 982 CG2 VAL A 65 -5.046 0.330 1.943 1.00 0.00 C ATOM 0 H VAL A 65 -7.154 2.126 2.183 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.361 0.977 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.223 -0.083 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.750 1.872 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.139 2.228 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.122 2.818 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.961 0.226 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.342 1.105 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.503 -0.617 2.229 1.00 0.00 H new ATOM 992 N HIS A 66 -7.700 -1.457 0.326 1.00 0.00 N ATOM 993 CA HIS A 66 -8.282 -2.716 0.779 1.00 0.00 C ATOM 994 C HIS A 66 -7.338 -3.882 0.501 1.00 0.00 C ATOM 995 O HIS A 66 -6.964 -4.130 -0.645 1.00 0.00 O ATOM 996 CB HIS A 66 -9.626 -2.957 0.090 1.00 0.00 C ATOM 997 CG HIS A 66 -9.507 -3.676 -1.219 1.00 0.00 C ATOM 998 ND1 HIS A 66 -8.754 -3.406 -2.311 1.00 0.00 N flip ATOM 999 CD2 HIS A 66 -10.220 -4.817 -1.519 1.00 0.00 C flip ATOM 1000 CE1 HIS A 66 -9.021 -4.381 -3.241 1.00 0.00 C flip ATOM 1001 NE2 HIS A 66 -9.909 -5.221 -2.738 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.321 -1.483 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.440 -2.649 1.855 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.268 -3.534 0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.118 -1.998 -0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.923 -5.305 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.578 -4.450 -4.223 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.289 -6.041 -3.210 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.955 -4.592 1.557 1.00 0.00 N ATOM 1011 CA ILE A 67 -6.056 -5.731 1.427 1.00 0.00 C ATOM 1012 C ILE A 67 -6.613 -6.763 0.452 1.00 0.00 C ATOM 1013 O ILE A 67 -7.715 -7.279 0.640 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.804 -6.409 2.787 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.161 -5.422 3.762 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.925 -7.638 2.611 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -5.006 -5.971 5.163 1.00 0.00 C ATOM 0 H ILE A 67 -7.254 -4.398 2.513 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.112 -5.345 1.043 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.761 -6.727 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.180 -5.135 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.765 -4.516 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.756 -8.106 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.420 -8.347 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.969 -7.343 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.543 -5.217 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.986 -6.231 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.377 -6.861 5.138 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.843 -7.061 -0.590 1.00 0.00 N ATOM 1030 CA LEU A 68 -6.258 -8.033 -1.595 1.00 0.00 C ATOM 1031 C LEU A 68 -6.222 -9.449 -1.029 1.00 0.00 C ATOM 1032 O LEU A 68 -5.564 -9.710 -0.021 1.00 0.00 O ATOM 1033 CB LEU A 68 -5.356 -7.941 -2.826 1.00 0.00 C ATOM 1034 CG LEU A 68 -5.237 -6.558 -3.468 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -3.903 -6.415 -4.184 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.390 -6.316 -4.431 1.00 0.00 C ATOM 0 H LEU A 68 -4.928 -6.643 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.283 -7.803 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.358 -8.277 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.728 -8.638 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.285 -5.807 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.836 -5.425 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.091 -6.544 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.825 -7.174 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.289 -5.327 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.374 -7.073 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.334 -6.375 -3.890 1.00 0.00 H new ATOM 1048 N SER A 69 -6.932 -10.362 -1.686 1.00 0.00 N ATOM 1049 CA SER A 69 -6.983 -11.752 -1.247 1.00 0.00 C ATOM 1050 C SER A 69 -5.723 -12.501 -1.672 1.00 0.00 C ATOM 1051 O SER A 69 -5.025 -13.083 -0.843 1.00 0.00 O ATOM 1052 CB SER A 69 -8.220 -12.444 -1.821 1.00 0.00 C ATOM 1053 OG SER A 69 -8.010 -12.831 -3.168 1.00 0.00 O ATOM 0 H SER A 69 -7.479 -10.164 -2.524 1.00 0.00 H new ATOM 0 HA SER A 69 -7.042 -11.763 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.461 -13.321 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.076 -11.772 -1.762 1.00 0.00 H new ATOM 0 HG SER A 69 -8.815 -13.272 -3.511 1.00 0.00 H new ATOM 1059 N ASP A 70 -5.441 -12.482 -2.970 1.00 0.00 N ATOM 1060 CA ASP A 70 -4.265 -13.158 -3.507 1.00 0.00 C ATOM 1061 C ASP A 70 -2.992 -12.645 -2.843 1.00 0.00 C ATOM 1062 O ASP A 70 -2.846 -11.447 -2.600 1.00 0.00 O ATOM 1063 CB ASP A 70 -4.183 -12.957 -5.020 1.00 0.00 C ATOM 1064 CG ASP A 70 -5.407 -13.483 -5.743 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -5.412 -14.675 -6.115 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -6.363 -12.702 -5.935 1.00 0.00 O ATOM 0 H ASP A 70 -6.010 -12.006 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.359 -14.223 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.066 -11.895 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.295 -13.460 -5.402 1.00 0.00 H new ATOM 1071 N SER A 71 -2.073 -13.559 -2.549 1.00 0.00 N ATOM 1072 CA SER A 71 -0.814 -13.200 -1.908 1.00 0.00 C ATOM 1073 C SER A 71 0.333 -13.223 -2.913 1.00 0.00 C ATOM 1074 O SER A 71 0.123 -13.432 -4.107 1.00 0.00 O ATOM 1075 CB SER A 71 -0.514 -14.156 -0.751 1.00 0.00 C ATOM 1076 OG SER A 71 -1.643 -14.306 0.091 1.00 0.00 O ATOM 0 H SER A 71 -2.177 -14.555 -2.745 1.00 0.00 H new ATOM 0 HA SER A 71 -0.910 -12.187 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.219 -15.128 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.328 -13.778 -0.172 1.00 0.00 H new ATOM 0 HG SER A 71 -1.427 -14.923 0.821 1.00 0.00 H new ATOM 1082 N GLY A 72 1.550 -13.009 -2.419 1.00 0.00 N ATOM 1083 CA GLY A 72 2.713 -13.009 -3.287 1.00 0.00 C ATOM 1084 C GLY A 72 3.656 -14.159 -2.990 1.00 0.00 C ATOM 1085 O GLY A 72 3.524 -15.254 -3.536 1.00 0.00 O ATOM 0 H GLY A 72 1.750 -12.836 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.388 -13.068 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.248 -12.066 -3.174 1.00 0.00 H new ATOM 1089 N PRO A 73 4.636 -13.913 -2.109 1.00 0.00 N ATOM 1090 CA PRO A 73 5.626 -14.923 -1.722 1.00 0.00 C ATOM 1091 C PRO A 73 5.015 -16.040 -0.881 1.00 0.00 C ATOM 1092 O PRO A 73 5.624 -17.093 -0.696 1.00 0.00 O ATOM 1093 CB PRO A 73 6.641 -14.129 -0.898 1.00 0.00 C ATOM 1094 CG PRO A 73 5.873 -12.967 -0.367 1.00 0.00 C ATOM 1095 CD PRO A 73 4.854 -12.630 -1.420 1.00 0.00 C ATOM 0 HA PRO A 73 6.058 -15.422 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.054 -14.733 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.480 -13.802 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.390 -13.217 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.531 -12.119 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.933 -12.249 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.221 -11.864 -2.104 1.00 0.00 H new ATOM 1103 N SER A 74 3.809 -15.802 -0.375 1.00 0.00 N ATOM 1104 CA SER A 74 3.118 -16.787 0.448 1.00 0.00 C ATOM 1105 C SER A 74 2.653 -17.970 -0.395 1.00 0.00 C ATOM 1106 O SER A 74 2.841 -17.992 -1.610 1.00 0.00 O ATOM 1107 CB SER A 74 1.920 -16.145 1.151 1.00 0.00 C ATOM 1108 OG SER A 74 2.318 -15.017 1.911 1.00 0.00 O ATOM 0 H SER A 74 3.291 -14.936 -0.521 1.00 0.00 H new ATOM 0 HA SER A 74 3.819 -17.152 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.178 -15.845 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.442 -16.876 1.803 1.00 0.00 H new ATOM 0 HG SER A 74 1.534 -14.624 2.349 1.00 0.00 H new ATOM 1114 N SER A 75 2.047 -18.954 0.262 1.00 0.00 N ATOM 1115 CA SER A 75 1.558 -20.143 -0.425 1.00 0.00 C ATOM 1116 C SER A 75 0.966 -19.781 -1.784 1.00 0.00 C ATOM 1117 O SER A 75 0.195 -18.830 -1.904 1.00 0.00 O ATOM 1118 CB SER A 75 0.506 -20.856 0.428 1.00 0.00 C ATOM 1119 OG SER A 75 1.089 -21.417 1.592 1.00 0.00 O ATOM 0 H SER A 75 1.883 -18.951 1.269 1.00 0.00 H new ATOM 0 HA SER A 75 2.403 -20.813 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.275 -20.151 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.029 -21.641 -0.158 1.00 0.00 H new ATOM 0 HG SER A 75 0.397 -21.865 2.121 1.00 0.00 H new ATOM 1125 N GLY A 76 1.333 -20.549 -2.807 1.00 0.00 N ATOM 1126 CA GLY A 76 0.830 -20.293 -4.144 1.00 0.00 C ATOM 1127 C GLY A 76 1.820 -20.689 -5.221 1.00 0.00 C ATOM 1128 O GLY A 76 1.933 -21.865 -5.568 1.00 0.00 O ATOM 0 H GLY A 76 1.969 -21.343 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.100 -20.842 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.594 -19.234 -4.243 1.00 0.00 H new TER 1132 GLY A 76