USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 49 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-1.3) USER MOD Set 1.2: A 80 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 THR OG1 : rot 100:sc= -0.962 USER MOD Set 2.2: A 71 SER OG : rot -165:sc= -1.7! USER MOD Set 3.1: A 35 GLN : amide:sc= -2.98 K(o=-3.5,f=-8.1!) USER MOD Set 3.2: A 39 THR OG1 : rot 109:sc= -0.522! USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -5.15! C(o=-5.2!,f=-9.1!) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000244) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 11:sc=0.000256 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.434 K(o=0.43,f=-0.067) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.6) USER MOD Single : A 32 MET CE :methyl -143:sc= -2.37! (180deg=-5.73!) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.154) USER MOD Single : A 42 ASN : amide:sc= -0.0342 K(o=-0.034,f=-0.78) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -4.45! (180deg=-8.36!) USER MOD Single : A 52 GLN : amide:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0748 X(o=-0.075,f=-0.0012) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -1.87 (180deg=-2.24) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -87:sc= 0.595 USER MOD Single : A 75 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.4!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.721 USER MOD Single : A 84 TYR OH : rot -39:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -8.599 6.264 -1.100 1.00 0.00 N ATOM 21 CA LEU A 2 -9.382 6.146 -2.353 1.00 0.00 C ATOM 22 C LEU A 2 -10.793 5.676 -2.063 1.00 0.00 C ATOM 23 O LEU A 2 -11.072 5.040 -1.067 1.00 0.00 O ATOM 24 CB LEU A 2 -8.638 5.146 -3.219 1.00 0.00 C ATOM 25 CG LEU A 2 -9.241 5.184 -4.618 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.143 4.978 -5.663 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.267 4.070 -4.724 1.00 0.00 C ATOM 0 HA LEU A 2 -9.476 7.108 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.577 5.391 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.719 4.144 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.714 6.150 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.581 5.006 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.399 5.770 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.666 4.011 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.712 4.079 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.781 3.110 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.046 4.221 -3.977 1.00 0.00 H new ATOM 39 N THR A 3 -11.684 6.026 -2.932 1.00 0.00 N ATOM 40 CA THR A 3 -13.103 5.660 -2.745 1.00 0.00 C ATOM 41 C THR A 3 -13.608 4.861 -3.958 1.00 0.00 C ATOM 42 O THR A 3 -12.959 4.780 -4.980 1.00 0.00 O ATOM 43 CB THR A 3 -13.780 7.025 -2.556 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.336 7.090 -1.250 1.00 0.00 O ATOM 45 CG2 THR A 3 -14.890 7.286 -3.586 1.00 0.00 C ATOM 0 H THR A 3 -11.486 6.559 -3.779 1.00 0.00 H new ATOM 0 HA THR A 3 -13.307 5.002 -1.900 1.00 0.00 H new ATOM 0 HB THR A 3 -13.016 7.790 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.769 7.960 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.333 8.265 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.468 7.260 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.658 6.518 -3.496 1.00 0.00 H new ATOM 53 N GLY A 4 -14.754 4.263 -3.835 1.00 0.00 N ATOM 54 CA GLY A 4 -15.309 3.449 -4.958 1.00 0.00 C ATOM 55 C GLY A 4 -15.290 4.244 -6.268 1.00 0.00 C ATOM 56 O GLY A 4 -14.896 3.741 -7.301 1.00 0.00 O ATOM 0 H GLY A 4 -15.339 4.300 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.726 2.535 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.330 3.148 -4.725 1.00 0.00 H new ATOM 60 N LYS A 5 -15.728 5.473 -6.242 1.00 0.00 N ATOM 61 CA LYS A 5 -15.749 6.282 -7.498 1.00 0.00 C ATOM 62 C LYS A 5 -14.332 6.536 -8.018 1.00 0.00 C ATOM 63 O LYS A 5 -14.079 6.449 -9.205 1.00 0.00 O ATOM 64 CB LYS A 5 -16.419 7.597 -7.110 1.00 0.00 C ATOM 65 CG LYS A 5 -16.569 8.479 -8.352 1.00 0.00 C ATOM 66 CD LYS A 5 -18.051 8.766 -8.597 1.00 0.00 C ATOM 67 CE LYS A 5 -18.416 10.122 -7.987 1.00 0.00 C ATOM 68 NZ LYS A 5 -19.815 9.959 -7.500 1.00 0.00 N ATOM 0 H LYS A 5 -16.071 5.952 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.280 5.767 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.396 7.403 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.825 8.112 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.024 9.413 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.136 7.981 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.260 8.768 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.663 7.980 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.742 10.383 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.345 10.920 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.138 10.848 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.435 9.718 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.850 9.197 -6.793 1.00 0.00 H new ATOM 82 N GLN A 6 -13.400 6.845 -7.157 1.00 0.00 N ATOM 83 CA GLN A 6 -12.016 7.093 -7.632 1.00 0.00 C ATOM 84 C GLN A 6 -11.453 5.801 -8.219 1.00 0.00 C ATOM 85 O GLN A 6 -10.776 5.800 -9.227 1.00 0.00 O ATOM 86 CB GLN A 6 -11.253 7.508 -6.378 1.00 0.00 C ATOM 87 CG GLN A 6 -11.867 8.795 -5.818 1.00 0.00 C ATOM 88 CD GLN A 6 -11.268 9.095 -4.441 1.00 0.00 C ATOM 89 OE1 GLN A 6 -10.152 8.709 -4.154 1.00 0.00 O ATOM 90 NE2 GLN A 6 -11.969 9.770 -3.572 1.00 0.00 N ATOM 0 H GLN A 6 -13.540 6.935 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.951 7.854 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.297 6.715 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.200 7.665 -6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.676 9.626 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.949 8.689 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.906 10.094 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.580 9.974 -2.651 1.00 0.00 H new ATOM 99 N LYS A 7 -11.758 4.699 -7.598 1.00 0.00 N ATOM 100 CA LYS A 7 -11.281 3.382 -8.102 1.00 0.00 C ATOM 101 C LYS A 7 -11.727 3.196 -9.552 1.00 0.00 C ATOM 102 O LYS A 7 -10.985 2.726 -10.381 1.00 0.00 O ATOM 103 CB LYS A 7 -11.973 2.366 -7.190 1.00 0.00 C ATOM 104 CG LYS A 7 -11.709 0.952 -7.698 1.00 0.00 C ATOM 105 CD LYS A 7 -12.154 -0.067 -6.643 1.00 0.00 C ATOM 106 CE LYS A 7 -11.389 0.166 -5.337 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.423 0.600 -4.357 1.00 0.00 N ATOM 0 H LYS A 7 -12.325 4.653 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.196 3.281 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.605 2.470 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.046 2.559 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.248 0.784 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.648 0.825 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.226 0.023 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.974 -1.080 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.888 -0.743 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.619 0.927 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.977 0.763 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.867 1.481 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.148 -0.140 -4.267 1.00 0.00 H new ATOM 121 N ARG A 8 -12.938 3.561 -9.861 1.00 0.00 N ATOM 122 CA ARG A 8 -13.430 3.396 -11.258 1.00 0.00 C ATOM 123 C ARG A 8 -12.522 4.149 -12.244 1.00 0.00 C ATOM 124 O ARG A 8 -11.997 3.579 -13.185 1.00 0.00 O ATOM 125 CB ARG A 8 -14.833 4.006 -11.242 1.00 0.00 C ATOM 126 CG ARG A 8 -15.684 3.357 -12.335 1.00 0.00 C ATOM 127 CD ARG A 8 -15.878 4.345 -13.485 1.00 0.00 C ATOM 128 NE ARG A 8 -15.545 3.574 -14.714 1.00 0.00 N ATOM 129 CZ ARG A 8 -16.482 2.931 -15.356 1.00 0.00 C ATOM 130 NH1 ARG A 8 -17.518 3.577 -15.817 1.00 0.00 N ATOM 131 NH2 ARG A 8 -16.383 1.643 -15.538 1.00 0.00 N ATOM 0 H ARG A 8 -13.609 3.966 -9.208 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.434 2.354 -11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.296 3.854 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.775 5.083 -11.403 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.199 2.451 -12.698 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.651 3.060 -11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.902 4.717 -13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.227 5.212 -13.374 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.584 3.548 -15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.595 4.584 -15.676 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.250 3.075 -16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.573 1.138 -15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.116 1.141 -16.040 1.00 0.00 H new ATOM 145 N TYR A 9 -12.333 5.422 -12.031 1.00 0.00 N ATOM 146 CA TYR A 9 -11.465 6.217 -12.951 1.00 0.00 C ATOM 147 C TYR A 9 -10.026 5.717 -12.908 1.00 0.00 C ATOM 148 O TYR A 9 -9.378 5.555 -13.923 1.00 0.00 O ATOM 149 CB TYR A 9 -11.515 7.644 -12.409 1.00 0.00 C ATOM 150 CG TYR A 9 -12.679 8.386 -13.022 1.00 0.00 C ATOM 151 CD1 TYR A 9 -12.587 8.872 -14.332 1.00 0.00 C ATOM 152 CD2 TYR A 9 -13.850 8.585 -12.282 1.00 0.00 C ATOM 153 CE1 TYR A 9 -13.665 9.560 -14.901 1.00 0.00 C ATOM 154 CE2 TYR A 9 -14.928 9.272 -12.851 1.00 0.00 C ATOM 155 CZ TYR A 9 -14.837 9.760 -14.161 1.00 0.00 C ATOM 156 OH TYR A 9 -15.902 10.438 -14.725 1.00 0.00 O ATOM 0 H TYR A 9 -12.742 5.949 -11.259 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.807 6.140 -13.983 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.614 7.627 -11.324 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.583 8.161 -12.636 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.684 8.716 -14.904 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.922 8.209 -11.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.593 9.937 -15.911 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.831 9.426 -12.280 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.637 10.489 -14.079 1.00 0.00 H new ATOM 166 N LEU A 10 -9.515 5.510 -11.735 1.00 0.00 N ATOM 167 CA LEU A 10 -8.105 5.064 -11.603 1.00 0.00 C ATOM 168 C LEU A 10 -7.924 3.607 -12.016 1.00 0.00 C ATOM 169 O LEU A 10 -6.946 3.256 -12.646 1.00 0.00 O ATOM 170 CB LEU A 10 -7.786 5.236 -10.126 1.00 0.00 C ATOM 171 CG LEU A 10 -6.656 6.238 -9.987 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.536 6.668 -8.534 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.362 5.565 -10.408 1.00 0.00 C ATOM 0 H LEU A 10 -10.015 5.631 -10.854 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.445 5.639 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.667 5.583 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.500 4.280 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.854 7.110 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.724 7.388 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.471 7.128 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.327 5.797 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.537 6.272 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.175 4.703 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.443 5.237 -11.444 1.00 0.00 H new ATOM 185 N ARG A 11 -8.840 2.749 -11.665 1.00 0.00 N ATOM 186 CA ARG A 11 -8.685 1.316 -12.041 1.00 0.00 C ATOM 187 C ARG A 11 -8.388 1.209 -13.544 1.00 0.00 C ATOM 188 O ARG A 11 -7.547 0.443 -13.970 1.00 0.00 O ATOM 189 CB ARG A 11 -10.030 0.660 -11.695 1.00 0.00 C ATOM 190 CG ARG A 11 -10.136 -0.726 -12.342 1.00 0.00 C ATOM 191 CD ARG A 11 -11.221 -0.703 -13.422 1.00 0.00 C ATOM 192 NE ARG A 11 -12.108 -1.854 -13.099 1.00 0.00 N ATOM 193 CZ ARG A 11 -12.971 -2.278 -13.979 1.00 0.00 C ATOM 194 NH1 ARG A 11 -13.908 -1.478 -14.410 1.00 0.00 N ATOM 195 NH2 ARG A 11 -12.898 -3.500 -14.428 1.00 0.00 N ATOM 0 H ARG A 11 -9.684 2.975 -11.138 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.862 0.829 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.130 0.571 -10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.848 1.292 -12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.179 -1.009 -12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.375 -1.474 -11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.773 0.237 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.789 -0.804 -14.418 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.040 -2.311 -12.189 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.964 -0.522 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.584 -1.809 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.165 -4.124 -14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.573 -3.832 -15.117 1.00 0.00 H new ATOM 209 N SER A 12 -9.072 1.983 -14.346 1.00 0.00 N ATOM 210 CA SER A 12 -8.824 1.933 -15.815 1.00 0.00 C ATOM 211 C SER A 12 -7.545 2.704 -16.163 1.00 0.00 C ATOM 212 O SER A 12 -6.884 2.418 -17.141 1.00 0.00 O ATOM 213 CB SER A 12 -10.040 2.608 -16.447 1.00 0.00 C ATOM 214 OG SER A 12 -10.319 3.816 -15.752 1.00 0.00 O ATOM 0 H SER A 12 -9.789 2.645 -14.048 1.00 0.00 H new ATOM 0 HA SER A 12 -8.690 0.913 -16.175 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.849 2.816 -17.500 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.903 1.943 -16.405 1.00 0.00 H new ATOM 0 HG SER A 12 -9.578 4.023 -15.145 1.00 0.00 H new ATOM 220 N LEU A 13 -7.196 3.686 -15.373 1.00 0.00 N ATOM 221 CA LEU A 13 -5.968 4.480 -15.665 1.00 0.00 C ATOM 222 C LEU A 13 -4.730 3.602 -15.606 1.00 0.00 C ATOM 223 O LEU A 13 -3.916 3.629 -16.497 1.00 0.00 O ATOM 224 CB LEU A 13 -5.907 5.532 -14.546 1.00 0.00 C ATOM 225 CG LEU A 13 -6.868 6.724 -14.783 1.00 0.00 C ATOM 226 CD1 LEU A 13 -6.043 7.984 -15.038 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.802 6.498 -15.980 1.00 0.00 C ATOM 0 H LEU A 13 -7.709 3.972 -14.539 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.000 4.921 -16.661 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.152 5.058 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.887 5.906 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.487 6.827 -13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.711 8.829 -15.206 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.412 8.187 -14.173 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.416 7.837 -15.918 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.454 7.363 -16.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.208 6.361 -16.884 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.408 5.609 -15.806 1.00 0.00 H new ATOM 239 N ALA A 14 -4.585 2.838 -14.561 1.00 0.00 N ATOM 240 CA ALA A 14 -3.386 1.960 -14.414 1.00 0.00 C ATOM 241 C ALA A 14 -3.359 0.870 -15.498 1.00 0.00 C ATOM 242 O ALA A 14 -2.378 0.172 -15.661 1.00 0.00 O ATOM 243 CB ALA A 14 -3.554 1.328 -13.034 1.00 0.00 C ATOM 0 H ALA A 14 -5.253 2.782 -13.792 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.455 2.516 -14.518 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.715 0.661 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.584 2.111 -12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.484 0.760 -13.005 1.00 0.00 H new ATOM 249 N HIS A 15 -4.432 0.706 -16.227 1.00 0.00 N ATOM 250 CA HIS A 15 -4.469 -0.353 -17.282 1.00 0.00 C ATOM 251 C HIS A 15 -3.565 0.012 -18.464 1.00 0.00 C ATOM 252 O HIS A 15 -2.814 -0.806 -18.957 1.00 0.00 O ATOM 253 CB HIS A 15 -5.929 -0.406 -17.730 1.00 0.00 C ATOM 254 CG HIS A 15 -6.351 -1.839 -17.912 1.00 0.00 C ATOM 255 ND1 HIS A 15 -6.278 -2.481 -19.139 1.00 0.00 N ATOM 256 CD2 HIS A 15 -6.856 -2.765 -17.034 1.00 0.00 C ATOM 257 CE1 HIS A 15 -6.731 -3.736 -18.966 1.00 0.00 C ATOM 258 NE2 HIS A 15 -7.096 -3.963 -17.702 1.00 0.00 N ATOM 0 H HIS A 15 -5.285 1.259 -16.138 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.111 -1.311 -16.905 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.565 0.079 -16.989 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.053 0.141 -18.664 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.039 -2.591 -15.984 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.792 -4.471 -19.755 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.470 -4.827 -17.310 1.00 0.00 H new ATOM 266 N ASN A 16 -3.635 1.228 -18.931 1.00 0.00 N ATOM 267 CA ASN A 16 -2.783 1.634 -20.088 1.00 0.00 C ATOM 268 C ASN A 16 -1.352 1.942 -19.631 1.00 0.00 C ATOM 269 O ASN A 16 -0.495 2.268 -20.428 1.00 0.00 O ATOM 270 CB ASN A 16 -3.449 2.894 -20.640 1.00 0.00 C ATOM 271 CG ASN A 16 -3.110 3.042 -22.125 1.00 0.00 C ATOM 272 OD1 ASN A 16 -3.958 2.856 -22.975 1.00 0.00 O ATOM 273 ND2 ASN A 16 -1.898 3.374 -22.475 1.00 0.00 N ATOM 0 H ASN A 16 -4.244 1.959 -18.563 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.706 0.844 -20.835 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.529 2.835 -20.507 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.107 3.770 -20.089 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.662 3.477 -23.462 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.186 3.530 -21.762 1.00 0.00 H new ATOM 280 N ILE A 17 -1.088 1.856 -18.355 1.00 0.00 N ATOM 281 CA ILE A 17 0.273 2.158 -17.848 1.00 0.00 C ATOM 282 C ILE A 17 1.068 0.860 -17.680 1.00 0.00 C ATOM 283 O ILE A 17 0.529 -0.226 -17.760 1.00 0.00 O ATOM 284 CB ILE A 17 0.073 2.826 -16.488 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.280 3.569 -16.427 1.00 0.00 C ATOM 286 CG2 ILE A 17 1.206 3.805 -16.264 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.301 4.595 -15.293 1.00 0.00 C ATOM 0 H ILE A 17 -1.764 1.587 -17.640 1.00 0.00 H new ATOM 0 HA ILE A 17 0.826 2.799 -18.535 1.00 0.00 H new ATOM 0 HB ILE A 17 0.069 2.062 -15.711 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.465 4.070 -17.377 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.086 2.849 -16.284 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.080 4.292 -15.297 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.156 3.272 -16.281 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.198 4.557 -17.053 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.267 5.100 -15.277 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.141 4.089 -14.341 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.510 5.328 -15.451 1.00 0.00 H new ATOM 299 N ASP A 18 2.347 0.967 -17.461 1.00 0.00 N ATOM 300 CA ASP A 18 3.189 -0.257 -17.302 1.00 0.00 C ATOM 301 C ASP A 18 3.689 -0.438 -15.851 1.00 0.00 C ATOM 302 O ASP A 18 3.980 0.529 -15.172 1.00 0.00 O ATOM 303 CB ASP A 18 4.372 -0.036 -18.245 1.00 0.00 C ATOM 304 CG ASP A 18 4.543 -1.259 -19.149 1.00 0.00 C ATOM 305 OD1 ASP A 18 3.782 -1.382 -20.094 1.00 0.00 O ATOM 306 OD2 ASP A 18 5.432 -2.050 -18.881 1.00 0.00 O ATOM 0 H ASP A 18 2.850 1.851 -17.384 1.00 0.00 H new ATOM 0 HA ASP A 18 2.621 -1.158 -17.532 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.206 0.856 -18.850 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.282 0.134 -17.670 1.00 0.00 H new ATOM 311 N PRO A 19 3.815 -1.685 -15.444 1.00 0.00 N ATOM 312 CA PRO A 19 4.340 -2.014 -14.086 1.00 0.00 C ATOM 313 C PRO A 19 5.860 -1.767 -14.050 1.00 0.00 C ATOM 314 O PRO A 19 6.552 -1.956 -15.031 1.00 0.00 O ATOM 315 CB PRO A 19 4.023 -3.501 -13.934 1.00 0.00 C ATOM 316 CG PRO A 19 3.918 -4.033 -15.324 1.00 0.00 C ATOM 317 CD PRO A 19 3.484 -2.897 -16.209 1.00 0.00 C ATOM 0 HA PRO A 19 3.906 -1.413 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.807 -4.014 -13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.092 -3.649 -13.386 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.876 -4.433 -15.655 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.199 -4.851 -15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.006 -2.917 -17.165 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.417 -2.949 -16.427 1.00 0.00 H new ATOM 325 N ILE A 20 6.382 -1.381 -12.920 1.00 0.00 N ATOM 326 CA ILE A 20 7.868 -1.157 -12.795 1.00 0.00 C ATOM 327 C ILE A 20 8.434 -2.179 -11.803 1.00 0.00 C ATOM 328 O ILE A 20 9.609 -2.487 -11.797 1.00 0.00 O ATOM 329 CB ILE A 20 8.152 0.257 -12.211 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.005 1.278 -12.386 1.00 0.00 C ATOM 331 CG2 ILE A 20 9.390 0.824 -12.903 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.776 0.878 -11.566 1.00 0.00 C ATOM 0 H ILE A 20 5.849 -1.208 -12.068 1.00 0.00 H new ATOM 0 HA ILE A 20 8.323 -1.255 -13.781 1.00 0.00 H new ATOM 0 HB ILE A 20 8.282 0.117 -11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.345 2.267 -12.078 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.735 1.348 -13.440 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.606 1.816 -12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.241 0.168 -12.721 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.208 0.893 -13.975 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.987 1.616 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.423 -0.100 -11.893 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.042 0.833 -10.510 1.00 0.00 H new ATOM 344 N PHE A 21 7.588 -2.670 -10.946 1.00 0.00 N ATOM 345 CA PHE A 21 8.009 -3.643 -9.896 1.00 0.00 C ATOM 346 C PHE A 21 7.400 -5.022 -10.173 1.00 0.00 C ATOM 347 O PHE A 21 6.281 -5.138 -10.634 1.00 0.00 O ATOM 348 CB PHE A 21 7.474 -3.090 -8.547 1.00 0.00 C ATOM 349 CG PHE A 21 6.356 -2.073 -8.735 1.00 0.00 C ATOM 350 CD1 PHE A 21 5.121 -2.463 -9.256 1.00 0.00 C ATOM 351 CD2 PHE A 21 6.573 -0.739 -8.393 1.00 0.00 C ATOM 352 CE1 PHE A 21 4.110 -1.512 -9.435 1.00 0.00 C ATOM 353 CE2 PHE A 21 5.555 0.208 -8.564 1.00 0.00 C ATOM 354 CZ PHE A 21 4.325 -0.181 -9.085 1.00 0.00 C ATOM 0 H PHE A 21 6.596 -2.433 -10.927 1.00 0.00 H new ATOM 0 HA PHE A 21 9.093 -3.758 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.109 -3.917 -7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.293 -2.627 -7.998 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.946 -3.496 -9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.530 -0.435 -7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.158 -1.812 -9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.725 1.239 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.539 0.547 -9.218 1.00 0.00 H new ATOM 364 N GLN A 22 8.135 -6.068 -9.898 1.00 0.00 N ATOM 365 CA GLN A 22 7.610 -7.442 -10.147 1.00 0.00 C ATOM 366 C GLN A 22 7.907 -8.354 -8.951 1.00 0.00 C ATOM 367 O GLN A 22 9.049 -8.577 -8.597 1.00 0.00 O ATOM 368 CB GLN A 22 8.364 -7.929 -11.384 1.00 0.00 C ATOM 369 CG GLN A 22 7.367 -8.404 -12.443 1.00 0.00 C ATOM 370 CD GLN A 22 8.129 -8.998 -13.629 1.00 0.00 C ATOM 371 OE1 GLN A 22 8.682 -10.075 -13.532 1.00 0.00 O ATOM 372 NE2 GLN A 22 8.183 -8.336 -14.752 1.00 0.00 N ATOM 0 H GLN A 22 9.078 -6.029 -9.511 1.00 0.00 H new ATOM 0 HA GLN A 22 6.529 -7.450 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.980 -7.125 -11.786 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.038 -8.742 -11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.696 -9.150 -12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.748 -7.571 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.719 -7.432 -14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.690 -8.723 -15.548 1.00 0.00 H new ATOM 381 N ILE A 23 6.891 -8.891 -8.333 1.00 0.00 N ATOM 382 CA ILE A 23 7.115 -9.799 -7.169 1.00 0.00 C ATOM 383 C ILE A 23 7.343 -11.225 -7.676 1.00 0.00 C ATOM 384 O ILE A 23 6.744 -11.646 -8.642 1.00 0.00 O ATOM 385 CB ILE A 23 5.827 -9.670 -6.311 1.00 0.00 C ATOM 386 CG1 ILE A 23 6.126 -8.704 -5.153 1.00 0.00 C ATOM 387 CG2 ILE A 23 5.354 -11.035 -5.742 1.00 0.00 C ATOM 388 CD1 ILE A 23 4.941 -8.637 -4.184 1.00 0.00 C ATOM 0 H ILE A 23 5.914 -8.741 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 23 7.995 -9.544 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 23 5.023 -9.297 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.019 -9.032 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.336 -7.710 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.450 -10.889 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.143 -11.718 -6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.137 -11.457 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.173 -7.948 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.056 -8.287 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.749 -9.629 -3.774 1.00 0.00 H new ATOM 400 N GLY A 24 8.186 -11.973 -7.017 1.00 0.00 N ATOM 401 CA GLY A 24 8.422 -13.378 -7.445 1.00 0.00 C ATOM 402 C GLY A 24 7.378 -14.261 -6.768 1.00 0.00 C ATOM 403 O GLY A 24 6.756 -13.862 -5.802 1.00 0.00 O ATOM 0 H GLY A 24 8.720 -11.671 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.348 -13.463 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.427 -13.696 -7.168 1.00 0.00 H new ATOM 407 N LYS A 25 7.163 -15.448 -7.259 1.00 0.00 N ATOM 408 CA LYS A 25 6.142 -16.325 -6.624 1.00 0.00 C ATOM 409 C LYS A 25 6.655 -16.844 -5.282 1.00 0.00 C ATOM 410 O LYS A 25 7.570 -17.642 -5.217 1.00 0.00 O ATOM 411 CB LYS A 25 5.911 -17.469 -7.611 1.00 0.00 C ATOM 412 CG LYS A 25 4.929 -18.477 -7.009 1.00 0.00 C ATOM 413 CD LYS A 25 5.690 -19.722 -6.543 1.00 0.00 C ATOM 414 CE LYS A 25 6.092 -20.564 -7.756 1.00 0.00 C ATOM 415 NZ LYS A 25 6.695 -21.800 -7.181 1.00 0.00 N ATOM 0 H LYS A 25 7.645 -15.846 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 25 5.213 -15.793 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.517 -17.079 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.856 -17.960 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.400 -18.027 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.177 -18.754 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.577 -19.429 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.067 -20.311 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.228 -20.798 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.805 -20.033 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.997 -22.430 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.519 -21.546 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.991 -22.287 -6.591 1.00 0.00 H new ATOM 429 N GLY A 26 6.072 -16.387 -4.210 1.00 0.00 N ATOM 430 CA GLY A 26 6.515 -16.836 -2.863 1.00 0.00 C ATOM 431 C GLY A 26 5.823 -15.979 -1.805 1.00 0.00 C ATOM 432 O GLY A 26 5.375 -16.469 -0.787 1.00 0.00 O ATOM 0 H GLY A 26 5.303 -15.717 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.269 -17.888 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.597 -16.746 -2.772 1.00 0.00 H new ATOM 436 N GLY A 27 5.731 -14.696 -2.038 1.00 0.00 N ATOM 437 CA GLY A 27 5.070 -13.805 -1.056 1.00 0.00 C ATOM 438 C GLY A 27 5.584 -12.391 -1.273 1.00 0.00 C ATOM 439 O GLY A 27 6.686 -12.195 -1.747 1.00 0.00 O ATOM 0 H GLY A 27 6.089 -14.230 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.988 -13.839 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.284 -14.135 -0.039 1.00 0.00 H new ATOM 443 N ILE A 28 4.807 -11.403 -0.944 1.00 0.00 N ATOM 444 CA ILE A 28 5.285 -10.015 -1.154 1.00 0.00 C ATOM 445 C ILE A 28 6.477 -9.740 -0.237 1.00 0.00 C ATOM 446 O ILE A 28 6.359 -9.751 0.972 1.00 0.00 O ATOM 447 CB ILE A 28 4.106 -9.129 -0.773 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.911 -9.471 -1.659 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.483 -7.661 -0.973 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.721 -8.628 -1.227 1.00 0.00 C ATOM 0 H ILE A 28 3.873 -11.494 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 28 5.612 -9.835 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 28 3.847 -9.297 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.150 -9.278 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.672 -10.531 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.639 -7.028 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.338 -7.416 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.741 -7.491 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.861 -8.864 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.481 -8.843 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.967 -7.571 -1.332 1.00 0.00 H new ATOM 462 N ASN A 29 7.626 -9.499 -0.800 1.00 0.00 N ATOM 463 CA ASN A 29 8.824 -9.231 0.051 1.00 0.00 C ATOM 464 C ASN A 29 9.152 -7.733 0.073 1.00 0.00 C ATOM 465 O ASN A 29 8.935 -7.031 -0.895 1.00 0.00 O ATOM 466 CB ASN A 29 9.956 -10.019 -0.606 1.00 0.00 C ATOM 467 CG ASN A 29 10.316 -11.220 0.269 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.174 -11.126 1.125 1.00 0.00 O ATOM 469 ND2 ASN A 29 9.691 -12.352 0.092 1.00 0.00 N ATOM 0 H ASN A 29 7.791 -9.475 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 29 8.663 -9.527 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.652 -10.356 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.828 -9.379 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.922 -13.158 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.971 -12.430 -0.626 1.00 0.00 H new ATOM 476 N GLU A 30 9.678 -7.235 1.167 1.00 0.00 N ATOM 477 CA GLU A 30 10.016 -5.781 1.223 1.00 0.00 C ATOM 478 C GLU A 30 10.996 -5.434 0.108 1.00 0.00 C ATOM 479 O GLU A 30 10.978 -4.341 -0.418 1.00 0.00 O ATOM 480 CB GLU A 30 10.661 -5.536 2.588 1.00 0.00 C ATOM 481 CG GLU A 30 11.097 -4.067 2.681 1.00 0.00 C ATOM 482 CD GLU A 30 10.989 -3.584 4.131 1.00 0.00 C ATOM 483 OE1 GLU A 30 10.779 -4.414 5.000 1.00 0.00 O ATOM 484 OE2 GLU A 30 11.121 -2.390 4.348 1.00 0.00 O ATOM 0 H GLU A 30 9.885 -7.766 2.013 1.00 0.00 H new ATOM 0 HA GLU A 30 9.129 -5.161 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.955 -5.770 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.521 -6.193 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.123 -3.960 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.471 -3.451 2.035 1.00 0.00 H new ATOM 491 N ASN A 31 11.846 -6.357 -0.275 1.00 0.00 N ATOM 492 CA ASN A 31 12.811 -6.064 -1.378 1.00 0.00 C ATOM 493 C ASN A 31 12.038 -5.486 -2.563 1.00 0.00 C ATOM 494 O ASN A 31 12.446 -4.525 -3.190 1.00 0.00 O ATOM 495 CB ASN A 31 13.430 -7.416 -1.741 1.00 0.00 C ATOM 496 CG ASN A 31 14.857 -7.489 -1.193 1.00 0.00 C ATOM 497 OD1 ASN A 31 15.614 -6.546 -1.309 1.00 0.00 O ATOM 498 ND2 ASN A 31 15.260 -8.579 -0.597 1.00 0.00 N ATOM 0 H ASN A 31 11.912 -7.293 0.126 1.00 0.00 H new ATOM 0 HA ASN A 31 13.579 -5.343 -1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.829 -8.226 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.438 -7.545 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.210 -8.638 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.625 -9.371 -0.499 1.00 0.00 H new ATOM 505 N MET A 32 10.894 -6.047 -2.839 1.00 0.00 N ATOM 506 CA MET A 32 10.062 -5.517 -3.943 1.00 0.00 C ATOM 507 C MET A 32 9.415 -4.212 -3.481 1.00 0.00 C ATOM 508 O MET A 32 9.190 -3.314 -4.268 1.00 0.00 O ATOM 509 CB MET A 32 9.012 -6.593 -4.218 1.00 0.00 C ATOM 510 CG MET A 32 8.955 -6.876 -5.722 1.00 0.00 C ATOM 511 SD MET A 32 10.562 -7.490 -6.289 1.00 0.00 S ATOM 512 CE MET A 32 10.293 -9.235 -5.893 1.00 0.00 C ATOM 0 H MET A 32 10.503 -6.849 -2.345 1.00 0.00 H new ATOM 0 HA MET A 32 10.633 -5.301 -4.846 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.259 -7.505 -3.674 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.036 -6.264 -3.862 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.179 -7.611 -5.934 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.690 -5.967 -6.263 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.223 -9.673 -5.530 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.527 -9.319 -5.122 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.967 -9.765 -6.788 1.00 0.00 H new ATOM 522 N ILE A 33 9.144 -4.075 -2.201 1.00 0.00 N ATOM 523 CA ILE A 33 8.551 -2.794 -1.728 1.00 0.00 C ATOM 524 C ILE A 33 9.631 -1.724 -1.749 1.00 0.00 C ATOM 525 O ILE A 33 9.360 -0.563 -1.949 1.00 0.00 O ATOM 526 CB ILE A 33 8.061 -2.985 -0.297 1.00 0.00 C ATOM 527 CG1 ILE A 33 7.193 -4.245 -0.191 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.236 -1.743 0.080 1.00 0.00 C ATOM 529 CD1 ILE A 33 5.944 -4.092 -1.060 1.00 0.00 C ATOM 0 H ILE A 33 9.306 -4.781 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 33 7.721 -2.497 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 33 8.907 -3.106 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.763 -5.118 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.906 -4.413 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.869 -1.846 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.863 -0.854 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.391 -1.647 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.332 -4.991 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.369 -3.230 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.239 -3.946 -2.099 1.00 0.00 H new ATOM 541 N LYS A 34 10.866 -2.107 -1.559 1.00 0.00 N ATOM 542 CA LYS A 34 11.956 -1.099 -1.599 1.00 0.00 C ATOM 543 C LYS A 34 11.888 -0.400 -2.956 1.00 0.00 C ATOM 544 O LYS A 34 11.924 0.813 -3.063 1.00 0.00 O ATOM 545 CB LYS A 34 13.254 -1.895 -1.453 1.00 0.00 C ATOM 546 CG LYS A 34 13.562 -2.109 0.032 1.00 0.00 C ATOM 547 CD LYS A 34 14.847 -1.365 0.402 1.00 0.00 C ATOM 548 CE LYS A 34 14.581 0.143 0.424 1.00 0.00 C ATOM 549 NZ LYS A 34 13.957 0.404 1.751 1.00 0.00 N ATOM 0 H LYS A 34 11.162 -3.067 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 34 11.884 -0.342 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.161 -2.857 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.075 -1.362 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.733 -1.749 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.673 -3.173 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.202 -1.696 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.632 -1.595 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.505 0.709 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.918 0.439 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.147 1.046 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.631 -0.493 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.657 0.842 2.384 1.00 0.00 H new ATOM 563 N GLN A 35 11.742 -1.178 -3.996 1.00 0.00 N ATOM 564 CA GLN A 35 11.621 -0.592 -5.356 1.00 0.00 C ATOM 565 C GLN A 35 10.236 0.043 -5.500 1.00 0.00 C ATOM 566 O GLN A 35 10.107 1.204 -5.835 1.00 0.00 O ATOM 567 CB GLN A 35 11.778 -1.770 -6.317 1.00 0.00 C ATOM 568 CG GLN A 35 11.775 -1.260 -7.760 1.00 0.00 C ATOM 569 CD GLN A 35 11.056 -2.266 -8.659 1.00 0.00 C ATOM 570 OE1 GLN A 35 10.251 -1.890 -9.488 1.00 0.00 O ATOM 571 NE2 GLN A 35 11.311 -3.540 -8.532 1.00 0.00 N ATOM 0 H GLN A 35 11.702 -2.197 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 35 12.364 0.181 -5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.708 -2.300 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.966 -2.482 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.279 -0.291 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.798 -1.114 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.986 -3.858 -7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.835 -4.217 -9.128 1.00 0.00 H new ATOM 580 N ILE A 36 9.193 -0.705 -5.225 1.00 0.00 N ATOM 581 CA ILE A 36 7.817 -0.134 -5.328 1.00 0.00 C ATOM 582 C ILE A 36 7.739 1.154 -4.519 1.00 0.00 C ATOM 583 O ILE A 36 7.050 2.089 -4.873 1.00 0.00 O ATOM 584 CB ILE A 36 6.888 -1.179 -4.722 1.00 0.00 C ATOM 585 CG1 ILE A 36 6.953 -2.453 -5.554 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.452 -0.650 -4.719 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.571 -3.643 -4.685 1.00 0.00 C ATOM 0 H ILE A 36 9.237 -1.682 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 36 7.548 0.096 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 36 7.199 -1.391 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.277 -2.379 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.958 -2.588 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.789 -1.399 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.402 0.264 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.140 -0.438 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.617 -4.556 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.264 -3.719 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.558 -3.507 -4.306 1.00 0.00 H new ATOM 599 N ASP A 37 8.448 1.201 -3.428 1.00 0.00 N ATOM 600 CA ASP A 37 8.431 2.416 -2.579 1.00 0.00 C ATOM 601 C ASP A 37 8.817 3.632 -3.430 1.00 0.00 C ATOM 602 O ASP A 37 8.091 4.601 -3.515 1.00 0.00 O ATOM 603 CB ASP A 37 9.481 2.169 -1.496 1.00 0.00 C ATOM 604 CG ASP A 37 9.628 3.424 -0.632 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.705 4.222 -0.620 1.00 0.00 O ATOM 606 OD2 ASP A 37 10.660 3.566 0.002 1.00 0.00 O ATOM 0 H ASP A 37 9.041 0.444 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 37 7.450 2.611 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.188 1.321 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.437 1.915 -1.953 1.00 0.00 H new ATOM 611 N ASP A 38 9.962 3.577 -4.066 1.00 0.00 N ATOM 612 CA ASP A 38 10.406 4.723 -4.922 1.00 0.00 C ATOM 613 C ASP A 38 9.557 4.799 -6.199 1.00 0.00 C ATOM 614 O ASP A 38 9.212 5.866 -6.666 1.00 0.00 O ATOM 615 CB ASP A 38 11.864 4.416 -5.264 1.00 0.00 C ATOM 616 CG ASP A 38 12.543 5.683 -5.788 1.00 0.00 C ATOM 617 OD1 ASP A 38 11.897 6.416 -6.518 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.695 5.898 -5.450 1.00 0.00 O ATOM 0 H ASP A 38 10.608 2.789 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 38 10.297 5.682 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.386 4.050 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.914 3.627 -6.014 1.00 0.00 H new ATOM 623 N THR A 39 9.208 3.670 -6.754 1.00 0.00 N ATOM 624 CA THR A 39 8.367 3.655 -7.991 1.00 0.00 C ATOM 625 C THR A 39 7.057 4.412 -7.750 1.00 0.00 C ATOM 626 O THR A 39 6.633 5.211 -8.563 1.00 0.00 O ATOM 627 CB THR A 39 8.089 2.186 -8.224 1.00 0.00 C ATOM 628 OG1 THR A 39 9.293 1.445 -8.081 1.00 0.00 O ATOM 629 CG2 THR A 39 7.558 2.023 -9.631 1.00 0.00 C ATOM 0 H THR A 39 9.470 2.749 -6.403 1.00 0.00 H new ATOM 0 HA THR A 39 8.855 4.133 -8.841 1.00 0.00 H new ATOM 0 HB THR A 39 7.361 1.820 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.259 0.923 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.350 0.970 -9.822 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.640 2.600 -9.743 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.301 2.381 -10.344 1.00 0.00 H new ATOM 637 N LEU A 40 6.413 4.173 -6.638 1.00 0.00 N ATOM 638 CA LEU A 40 5.134 4.888 -6.354 1.00 0.00 C ATOM 639 C LEU A 40 5.416 6.224 -5.654 1.00 0.00 C ATOM 640 O LEU A 40 4.697 7.189 -5.828 1.00 0.00 O ATOM 641 CB LEU A 40 4.336 3.945 -5.443 1.00 0.00 C ATOM 642 CG LEU A 40 5.015 3.832 -4.075 1.00 0.00 C ATOM 643 CD1 LEU A 40 4.511 4.948 -3.162 1.00 0.00 C ATOM 644 CD2 LEU A 40 4.681 2.477 -3.450 1.00 0.00 C ATOM 0 H LEU A 40 6.715 3.517 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 40 4.582 5.124 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.319 4.318 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.262 2.960 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 40 6.094 3.921 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.994 4.868 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.747 5.915 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.432 4.859 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.164 2.396 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.601 2.389 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.039 1.678 -4.100 1.00 0.00 H new ATOM 656 N GLU A 41 6.458 6.291 -4.867 1.00 0.00 N ATOM 657 CA GLU A 41 6.783 7.567 -4.163 1.00 0.00 C ATOM 658 C GLU A 41 7.037 8.680 -5.186 1.00 0.00 C ATOM 659 O GLU A 41 6.988 9.852 -4.868 1.00 0.00 O ATOM 660 CB GLU A 41 8.050 7.265 -3.357 1.00 0.00 C ATOM 661 CG GLU A 41 8.571 8.551 -2.710 1.00 0.00 C ATOM 662 CD GLU A 41 9.917 8.926 -3.335 1.00 0.00 C ATOM 663 OE1 GLU A 41 10.862 8.177 -3.152 1.00 0.00 O ATOM 664 OE2 GLU A 41 9.978 9.956 -3.986 1.00 0.00 O ATOM 0 H GLU A 41 7.097 5.518 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 41 5.971 7.908 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.835 6.522 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.814 6.839 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.854 9.359 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.683 8.411 -1.635 1.00 0.00 H new ATOM 671 N ASN A 42 7.306 8.321 -6.413 1.00 0.00 N ATOM 672 CA ASN A 42 7.558 9.355 -7.458 1.00 0.00 C ATOM 673 C ASN A 42 6.373 9.421 -8.426 1.00 0.00 C ATOM 674 O ASN A 42 6.124 10.432 -9.052 1.00 0.00 O ATOM 675 CB ASN A 42 8.820 8.884 -8.183 1.00 0.00 C ATOM 676 CG ASN A 42 9.398 10.036 -9.005 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.458 11.158 -8.543 1.00 0.00 O ATOM 678 ND2 ASN A 42 9.826 9.806 -10.216 1.00 0.00 N ATOM 0 H ASN A 42 7.362 7.355 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 42 7.681 10.352 -7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.557 8.533 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.585 8.042 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.211 10.568 -10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.776 8.864 -10.604 1.00 0.00 H new ATOM 685 N ARG A 43 5.638 8.348 -8.550 1.00 0.00 N ATOM 686 CA ARG A 43 4.467 8.347 -9.474 1.00 0.00 C ATOM 687 C ARG A 43 3.165 8.473 -8.676 1.00 0.00 C ATOM 688 O ARG A 43 3.178 8.703 -7.483 1.00 0.00 O ATOM 689 CB ARG A 43 4.530 6.998 -10.193 1.00 0.00 C ATOM 690 CG ARG A 43 5.726 6.984 -11.145 1.00 0.00 C ATOM 691 CD ARG A 43 6.126 5.538 -11.449 1.00 0.00 C ATOM 692 NE ARG A 43 6.051 5.422 -12.931 1.00 0.00 N ATOM 693 CZ ARG A 43 7.097 5.036 -13.611 1.00 0.00 C ATOM 694 NH1 ARG A 43 8.093 5.858 -13.799 1.00 0.00 N ATOM 695 NH2 ARG A 43 7.146 3.828 -14.103 1.00 0.00 N ATOM 0 H ARG A 43 5.798 7.473 -8.052 1.00 0.00 H new ATOM 0 HA ARG A 43 4.492 9.182 -10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.620 6.190 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.608 6.826 -10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.474 7.504 -12.069 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.565 7.517 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.131 5.322 -11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.453 4.832 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 43 5.182 5.644 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.055 6.802 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.910 5.556 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.367 3.186 -13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.963 3.526 -14.634 1.00 0.00 H new ATOM 709 N GLU A 44 2.042 8.327 -9.325 1.00 0.00 N ATOM 710 CA GLU A 44 0.740 8.439 -8.604 1.00 0.00 C ATOM 711 C GLU A 44 -0.036 7.122 -8.712 1.00 0.00 C ATOM 712 O GLU A 44 -0.606 6.641 -7.752 1.00 0.00 O ATOM 713 CB GLU A 44 -0.007 9.568 -9.317 1.00 0.00 C ATOM 714 CG GLU A 44 0.499 10.919 -8.805 1.00 0.00 C ATOM 715 CD GLU A 44 -0.509 12.011 -9.166 1.00 0.00 C ATOM 716 OE1 GLU A 44 -0.972 12.014 -10.296 1.00 0.00 O ATOM 717 OE2 GLU A 44 -0.801 12.828 -8.309 1.00 0.00 O ATOM 0 H GLU A 44 1.969 8.135 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 44 0.867 8.644 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.145 9.495 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.079 9.478 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.639 10.881 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.470 11.146 -9.245 1.00 0.00 H new ATOM 724 N LEU A 45 -0.051 6.533 -9.877 1.00 0.00 N ATOM 725 CA LEU A 45 -0.778 5.245 -10.061 1.00 0.00 C ATOM 726 C LEU A 45 0.235 4.111 -10.210 1.00 0.00 C ATOM 727 O LEU A 45 1.193 4.220 -10.949 1.00 0.00 O ATOM 728 CB LEU A 45 -1.587 5.434 -11.352 1.00 0.00 C ATOM 729 CG LEU A 45 -2.433 4.186 -11.670 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.156 3.691 -10.417 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.479 4.560 -12.725 1.00 0.00 C ATOM 0 H LEU A 45 0.411 6.891 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.422 4.992 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.239 6.302 -11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.910 5.638 -12.181 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.777 3.396 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.748 2.809 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.423 3.435 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.813 4.476 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.086 3.686 -12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.119 5.353 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.977 4.907 -13.628 1.00 0.00 H new ATOM 743 N ILE A 46 0.052 3.032 -9.499 1.00 0.00 N ATOM 744 CA ILE A 46 1.034 1.911 -9.597 1.00 0.00 C ATOM 745 C ILE A 46 0.360 0.595 -10.003 1.00 0.00 C ATOM 746 O ILE A 46 -0.472 0.058 -9.299 1.00 0.00 O ATOM 747 CB ILE A 46 1.684 1.764 -8.205 1.00 0.00 C ATOM 748 CG1 ILE A 46 0.688 2.107 -7.087 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.895 2.695 -8.107 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.263 1.675 -5.737 1.00 0.00 C ATOM 0 H ILE A 46 -0.727 2.877 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 46 1.774 2.133 -10.366 1.00 0.00 H new ATOM 0 HB ILE A 46 1.996 0.727 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.486 3.178 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.263 1.605 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.355 2.592 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.620 2.431 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.573 3.727 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.555 1.919 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.442 0.600 -5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.202 2.198 -5.558 1.00 0.00 H new ATOM 762 N LYS A 47 0.771 0.055 -11.117 1.00 0.00 N ATOM 763 CA LYS A 47 0.232 -1.266 -11.583 1.00 0.00 C ATOM 764 C LYS A 47 1.326 -2.287 -11.297 1.00 0.00 C ATOM 765 O LYS A 47 2.356 -2.273 -11.938 1.00 0.00 O ATOM 766 CB LYS A 47 -0.023 -1.201 -13.114 1.00 0.00 C ATOM 767 CG LYS A 47 0.675 -0.009 -13.785 1.00 0.00 C ATOM 768 CD LYS A 47 -0.057 1.292 -13.420 1.00 0.00 C ATOM 769 CE LYS A 47 0.944 2.441 -13.166 1.00 0.00 C ATOM 770 NZ LYS A 47 2.103 2.238 -14.092 1.00 0.00 N ATOM 0 H LYS A 47 1.466 0.474 -11.736 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.702 -1.524 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.324 -2.126 -13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.096 -1.137 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.715 0.045 -13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.683 -0.142 -14.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.736 1.569 -14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.666 1.133 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.473 3.407 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.277 2.438 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.538 3.157 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.806 1.621 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.771 1.795 -14.972 1.00 0.00 H new ATOM 784 N VAL A 48 1.173 -3.121 -10.308 1.00 0.00 N ATOM 785 CA VAL A 48 2.270 -4.057 -9.977 1.00 0.00 C ATOM 786 C VAL A 48 1.996 -5.460 -10.518 1.00 0.00 C ATOM 787 O VAL A 48 0.878 -5.911 -10.540 1.00 0.00 O ATOM 788 CB VAL A 48 2.280 -4.133 -8.442 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.573 -4.776 -7.998 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.162 -2.750 -7.780 1.00 0.00 C ATOM 0 H VAL A 48 0.342 -3.192 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 48 3.209 -3.713 -10.410 1.00 0.00 H new ATOM 0 HB VAL A 48 1.414 -4.719 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.594 -4.837 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.644 -5.779 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.415 -4.177 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.174 -2.863 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.001 -2.126 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.227 -2.279 -8.085 1.00 0.00 H new ATOM 800 N HIS A 49 3.017 -6.169 -10.913 1.00 0.00 N ATOM 801 CA HIS A 49 2.807 -7.561 -11.405 1.00 0.00 C ATOM 802 C HIS A 49 3.238 -8.551 -10.314 1.00 0.00 C ATOM 803 O HIS A 49 4.412 -8.751 -10.073 1.00 0.00 O ATOM 804 CB HIS A 49 3.699 -7.689 -12.639 1.00 0.00 C ATOM 805 CG HIS A 49 3.281 -8.896 -13.431 1.00 0.00 C ATOM 806 ND1 HIS A 49 3.176 -10.153 -12.858 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.934 -9.054 -14.750 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.780 -11.005 -13.821 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.617 -10.386 -14.995 1.00 0.00 N ATOM 0 H HIS A 49 3.985 -5.847 -10.917 1.00 0.00 H new ATOM 0 HA HIS A 49 1.765 -7.773 -11.646 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.621 -6.792 -13.253 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.743 -7.780 -12.339 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.911 -8.264 -15.486 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.614 -12.061 -13.665 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.324 -10.801 -15.879 1.00 0.00 H new ATOM 817 N VAL A 50 2.296 -9.154 -9.638 1.00 0.00 N ATOM 818 CA VAL A 50 2.651 -10.108 -8.542 1.00 0.00 C ATOM 819 C VAL A 50 2.626 -11.551 -9.019 1.00 0.00 C ATOM 820 O VAL A 50 1.771 -11.969 -9.776 1.00 0.00 O ATOM 821 CB VAL A 50 1.590 -9.889 -7.467 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.868 -10.813 -6.280 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.633 -8.432 -7.006 1.00 0.00 C ATOM 0 H VAL A 50 1.296 -9.028 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 50 3.662 -9.929 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 50 0.604 -10.113 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.110 -10.657 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.839 -11.851 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.853 -10.591 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.877 -8.271 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.618 -8.209 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.435 -7.776 -7.854 1.00 0.00 H new ATOM 833 N LEU A 51 3.580 -12.305 -8.567 1.00 0.00 N ATOM 834 CA LEU A 51 3.672 -13.726 -8.958 1.00 0.00 C ATOM 835 C LEU A 51 2.866 -14.615 -8.004 1.00 0.00 C ATOM 836 O LEU A 51 3.322 -15.661 -7.584 1.00 0.00 O ATOM 837 CB LEU A 51 5.152 -14.040 -8.845 1.00 0.00 C ATOM 838 CG LEU A 51 5.815 -13.979 -10.227 1.00 0.00 C ATOM 839 CD1 LEU A 51 5.253 -15.092 -11.110 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.536 -12.622 -10.885 1.00 0.00 C ATOM 0 H LEU A 51 4.312 -11.988 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 51 3.270 -13.908 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.631 -13.329 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.289 -15.031 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 51 6.891 -14.107 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.723 -15.050 -12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.458 -16.059 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.176 -14.962 -11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.011 -12.589 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.460 -12.487 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.938 -11.825 -10.260 1.00 0.00 H new ATOM 852 N GLN A 52 1.676 -14.213 -7.659 1.00 0.00 N ATOM 853 CA GLN A 52 0.850 -15.041 -6.732 1.00 0.00 C ATOM 854 C GLN A 52 0.051 -16.094 -7.511 1.00 0.00 C ATOM 855 O GLN A 52 -0.486 -17.023 -6.940 1.00 0.00 O ATOM 856 CB GLN A 52 -0.093 -14.052 -6.046 1.00 0.00 C ATOM 857 CG GLN A 52 -0.946 -14.792 -5.012 1.00 0.00 C ATOM 858 CD GLN A 52 -0.036 -15.479 -3.991 1.00 0.00 C ATOM 859 OE1 GLN A 52 0.596 -14.827 -3.185 1.00 0.00 O ATOM 860 NE2 GLN A 52 0.065 -16.780 -3.994 1.00 0.00 N ATOM 0 H GLN A 52 1.238 -13.348 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 52 1.466 -15.584 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.481 -13.262 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.734 -13.572 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.612 -14.092 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.576 -15.531 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.464 -17.331 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.673 -17.246 -3.321 1.00 0.00 H new ATOM 869 N ASN A 53 -0.028 -15.962 -8.814 1.00 0.00 N ATOM 870 CA ASN A 53 -0.788 -16.956 -9.641 1.00 0.00 C ATOM 871 C ASN A 53 -2.278 -16.937 -9.287 1.00 0.00 C ATOM 872 O ASN A 53 -3.097 -16.445 -10.039 1.00 0.00 O ATOM 873 CB ASN A 53 -0.177 -18.325 -9.318 1.00 0.00 C ATOM 874 CG ASN A 53 0.457 -18.912 -10.580 1.00 0.00 C ATOM 875 OD1 ASN A 53 1.662 -18.887 -10.736 1.00 0.00 O ATOM 876 ND2 ASN A 53 -0.308 -19.439 -11.497 1.00 0.00 N ATOM 0 H ASN A 53 0.403 -15.205 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.716 -16.723 -10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.574 -18.224 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.946 -18.998 -8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.106 -19.829 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.319 -19.460 -11.367 1.00 0.00 H new ATOM 883 N ASN A 54 -2.642 -17.474 -8.155 1.00 0.00 N ATOM 884 CA ASN A 54 -4.082 -17.492 -7.765 1.00 0.00 C ATOM 885 C ASN A 54 -4.637 -16.068 -7.693 1.00 0.00 C ATOM 886 O ASN A 54 -3.916 -15.118 -7.457 1.00 0.00 O ATOM 887 CB ASN A 54 -4.115 -18.149 -6.386 1.00 0.00 C ATOM 888 CG ASN A 54 -4.802 -19.512 -6.488 1.00 0.00 C ATOM 889 OD1 ASN A 54 -4.220 -20.525 -6.156 1.00 0.00 O ATOM 890 ND2 ASN A 54 -6.025 -19.578 -6.937 1.00 0.00 N ATOM 0 H ASN A 54 -2.005 -17.901 -7.483 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.693 -18.031 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.101 -18.268 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.649 -17.512 -5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.494 -20.481 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.513 -18.727 -7.215 1.00 0.00 H new ATOM 897 N PHE A 55 -5.916 -15.912 -7.897 1.00 0.00 N ATOM 898 CA PHE A 55 -6.522 -14.551 -7.845 1.00 0.00 C ATOM 899 C PHE A 55 -6.851 -14.161 -6.401 1.00 0.00 C ATOM 900 O PHE A 55 -6.390 -13.154 -5.902 1.00 0.00 O ATOM 901 CB PHE A 55 -7.799 -14.657 -8.677 1.00 0.00 C ATOM 902 CG PHE A 55 -7.942 -13.425 -9.537 1.00 0.00 C ATOM 903 CD1 PHE A 55 -7.340 -13.379 -10.801 1.00 0.00 C ATOM 904 CD2 PHE A 55 -8.677 -12.327 -9.072 1.00 0.00 C ATOM 905 CE1 PHE A 55 -7.472 -12.237 -11.599 1.00 0.00 C ATOM 906 CE2 PHE A 55 -8.809 -11.185 -9.871 1.00 0.00 C ATOM 907 CZ PHE A 55 -8.207 -11.140 -11.134 1.00 0.00 C ATOM 0 H PHE A 55 -6.569 -16.669 -8.098 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.845 -13.787 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.765 -15.549 -9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.665 -14.760 -8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.774 -14.226 -11.160 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.142 -12.361 -8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.007 -12.202 -12.573 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.376 -10.338 -9.513 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.310 -10.259 -11.750 1.00 0.00 H new ATOM 917 N ASP A 56 -7.646 -14.945 -5.723 1.00 0.00 N ATOM 918 CA ASP A 56 -7.998 -14.599 -4.314 1.00 0.00 C ATOM 919 C ASP A 56 -6.741 -14.461 -3.466 1.00 0.00 C ATOM 920 O ASP A 56 -6.732 -13.814 -2.437 1.00 0.00 O ATOM 921 CB ASP A 56 -8.867 -15.748 -3.816 1.00 0.00 C ATOM 922 CG ASP A 56 -9.918 -15.210 -2.843 1.00 0.00 C ATOM 923 OD1 ASP A 56 -10.766 -14.450 -3.278 1.00 0.00 O ATOM 924 OD2 ASP A 56 -9.856 -15.568 -1.678 1.00 0.00 O ATOM 0 H ASP A 56 -8.065 -15.804 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.522 -13.645 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.354 -16.241 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.249 -16.498 -3.322 1.00 0.00 H new ATOM 929 N ASP A 57 -5.682 -15.046 -3.908 1.00 0.00 N ATOM 930 CA ASP A 57 -4.400 -14.945 -3.158 1.00 0.00 C ATOM 931 C ASP A 57 -3.736 -13.615 -3.501 1.00 0.00 C ATOM 932 O ASP A 57 -3.152 -12.960 -2.661 1.00 0.00 O ATOM 933 CB ASP A 57 -3.549 -16.119 -3.645 1.00 0.00 C ATOM 934 CG ASP A 57 -4.023 -17.408 -2.971 1.00 0.00 C ATOM 935 OD1 ASP A 57 -4.136 -17.411 -1.757 1.00 0.00 O ATOM 936 OD2 ASP A 57 -4.264 -18.370 -3.682 1.00 0.00 O ATOM 0 H ASP A 57 -5.639 -15.598 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.535 -14.983 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.626 -16.213 -4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.499 -15.941 -3.415 1.00 0.00 H new ATOM 941 N LYS A 58 -3.844 -13.206 -4.735 1.00 0.00 N ATOM 942 CA LYS A 58 -3.246 -11.908 -5.148 1.00 0.00 C ATOM 943 C LYS A 58 -3.937 -10.776 -4.390 1.00 0.00 C ATOM 944 O LYS A 58 -3.308 -9.843 -3.928 1.00 0.00 O ATOM 945 CB LYS A 58 -3.530 -11.807 -6.646 1.00 0.00 C ATOM 946 CG LYS A 58 -2.382 -11.072 -7.344 1.00 0.00 C ATOM 947 CD LYS A 58 -1.971 -11.831 -8.612 1.00 0.00 C ATOM 948 CE LYS A 58 -3.197 -12.066 -9.503 1.00 0.00 C ATOM 949 NZ LYS A 58 -3.695 -10.702 -9.842 1.00 0.00 N ATOM 0 H LYS A 58 -4.322 -13.717 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.179 -11.841 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.647 -12.804 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.468 -11.277 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.690 -10.058 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.530 -10.985 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.218 -11.263 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.518 -12.785 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.931 -12.624 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.959 -12.646 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.322 -10.757 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.223 -10.314 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.889 -10.082 -10.059 1.00 0.00 H new ATOM 963 N LYS A 59 -5.232 -10.862 -4.249 1.00 0.00 N ATOM 964 CA LYS A 59 -5.975 -9.805 -3.509 1.00 0.00 C ATOM 965 C LYS A 59 -5.431 -9.702 -2.083 1.00 0.00 C ATOM 966 O LYS A 59 -5.069 -8.636 -1.622 1.00 0.00 O ATOM 967 CB LYS A 59 -7.429 -10.277 -3.506 1.00 0.00 C ATOM 968 CG LYS A 59 -8.354 -9.083 -3.267 1.00 0.00 C ATOM 969 CD LYS A 59 -8.751 -9.030 -1.790 1.00 0.00 C ATOM 970 CE LYS A 59 -9.740 -7.884 -1.569 1.00 0.00 C ATOM 971 NZ LYS A 59 -9.162 -7.090 -0.449 1.00 0.00 N ATOM 0 H LYS A 59 -5.807 -11.620 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.875 -8.819 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.670 -10.752 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.577 -11.026 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.852 -8.158 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.244 -9.169 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.201 -9.976 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.866 -8.886 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.849 -7.278 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.731 -8.261 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.784 -6.284 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.076 -7.692 0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.222 -6.739 -0.721 1.00 0.00 H new ATOM 985 N GLU A 60 -5.351 -10.804 -1.381 1.00 0.00 N ATOM 986 CA GLU A 60 -4.807 -10.759 0.007 1.00 0.00 C ATOM 987 C GLU A 60 -3.426 -10.109 -0.020 1.00 0.00 C ATOM 988 O GLU A 60 -3.099 -9.265 0.798 1.00 0.00 O ATOM 989 CB GLU A 60 -4.706 -12.219 0.449 1.00 0.00 C ATOM 990 CG GLU A 60 -5.198 -12.347 1.893 1.00 0.00 C ATOM 991 CD GLU A 60 -4.002 -12.317 2.847 1.00 0.00 C ATOM 992 OE1 GLU A 60 -3.171 -11.436 2.696 1.00 0.00 O ATOM 993 OE2 GLU A 60 -3.939 -13.175 3.712 1.00 0.00 O ATOM 0 H GLU A 60 -5.637 -11.727 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.433 -10.181 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.303 -12.852 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.675 -12.563 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.884 -11.533 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.753 -13.277 2.018 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.612 -10.475 -0.976 1.00 0.00 N ATOM 1001 CA LEU A 61 -1.265 -9.854 -1.069 1.00 0.00 C ATOM 1002 C LEU A 61 -1.433 -8.335 -1.114 1.00 0.00 C ATOM 1003 O LEU A 61 -0.644 -7.595 -0.561 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.652 -10.390 -2.365 1.00 0.00 C ATOM 1005 CG LEU A 61 0.284 -11.556 -2.032 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -0.540 -12.828 -1.832 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.279 -11.769 -3.178 1.00 0.00 C ATOM 0 H LEU A 61 -2.823 -11.172 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.623 -10.089 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.438 -10.721 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.101 -9.600 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 61 0.832 -11.326 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.125 -13.659 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.243 -12.681 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.090 -13.053 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.942 -12.600 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.735 -11.995 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.869 -10.864 -3.320 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.488 -7.863 -1.729 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.720 -6.396 -1.753 1.00 0.00 C ATOM 1021 C ALA A 62 -2.893 -5.927 -0.315 1.00 0.00 C ATOM 1022 O ALA A 62 -2.531 -4.831 0.042 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.002 -6.180 -2.544 1.00 0.00 C ATOM 0 H ALA A 62 -3.189 -8.427 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.897 -5.843 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.223 -5.114 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.878 -6.573 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.825 -6.698 -2.052 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.417 -6.775 0.532 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.563 -6.382 1.960 1.00 0.00 C ATOM 1031 C GLU A 63 -2.190 -5.994 2.482 1.00 0.00 C ATOM 1032 O GLU A 63 -2.026 -5.101 3.289 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.091 -7.627 2.676 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.015 -7.209 3.822 1.00 0.00 C ATOM 1035 CD GLU A 63 -4.216 -7.097 5.123 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.050 -7.460 5.117 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -4.784 -6.651 6.106 1.00 0.00 O ATOM 0 H GLU A 63 -3.746 -7.712 0.298 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.237 -5.539 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.631 -8.261 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.259 -8.216 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.486 -6.253 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.816 -7.939 3.939 1.00 0.00 H new ATOM 1044 N THR A 64 -1.209 -6.658 1.975 1.00 0.00 N ATOM 1045 CA THR A 64 0.198 -6.361 2.362 1.00 0.00 C ATOM 1046 C THR A 64 0.725 -5.207 1.506 1.00 0.00 C ATOM 1047 O THR A 64 1.222 -4.222 2.015 1.00 0.00 O ATOM 1048 CB THR A 64 0.974 -7.648 2.068 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.555 -8.666 2.963 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.477 -7.403 2.242 1.00 0.00 C ATOM 0 H THR A 64 -1.315 -7.411 1.295 1.00 0.00 H new ATOM 0 HA THR A 64 0.295 -6.066 3.407 1.00 0.00 H new ATOM 0 HB THR A 64 0.778 -7.958 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.050 -9.491 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.022 -8.323 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.801 -6.623 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.678 -7.088 3.266 1.00 0.00 H new ATOM 1058 N LEU A 65 0.620 -5.319 0.206 1.00 0.00 N ATOM 1059 CA LEU A 65 1.119 -4.222 -0.673 1.00 0.00 C ATOM 1060 C LEU A 65 0.347 -2.934 -0.390 1.00 0.00 C ATOM 1061 O LEU A 65 0.925 -1.905 -0.111 1.00 0.00 O ATOM 1062 CB LEU A 65 0.845 -4.697 -2.099 1.00 0.00 C ATOM 1063 CG LEU A 65 1.990 -5.588 -2.573 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.605 -6.256 -3.891 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.245 -4.742 -2.782 1.00 0.00 C ATOM 0 H LEU A 65 0.213 -6.118 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 65 2.176 -4.011 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.095 -5.247 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.739 -3.840 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 65 2.187 -6.352 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.423 -6.892 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.711 -6.862 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.406 -5.491 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.062 -5.380 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.047 -3.977 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.523 -4.265 -1.842 1.00 0.00 H new ATOM 1077 N SER A 66 -0.957 -2.986 -0.443 1.00 0.00 N ATOM 1078 CA SER A 66 -1.762 -1.763 -0.164 1.00 0.00 C ATOM 1079 C SER A 66 -1.377 -1.178 1.199 1.00 0.00 C ATOM 1080 O SER A 66 -1.194 0.014 1.343 1.00 0.00 O ATOM 1081 CB SER A 66 -3.215 -2.237 -0.157 1.00 0.00 C ATOM 1082 OG SER A 66 -3.546 -2.731 1.135 1.00 0.00 O ATOM 0 H SER A 66 -1.498 -3.821 -0.667 1.00 0.00 H new ATOM 0 HA SER A 66 -1.595 -0.980 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.878 -1.415 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.358 -3.018 -0.904 1.00 0.00 H new ATOM 0 HG SER A 66 -3.309 -3.680 1.193 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.251 -2.009 2.200 1.00 0.00 N ATOM 1089 CA GLU A 67 -0.877 -1.494 3.548 1.00 0.00 C ATOM 1090 C GLU A 67 0.571 -0.993 3.541 1.00 0.00 C ATOM 1091 O GLU A 67 0.896 0.003 4.154 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.027 -2.692 4.489 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.507 -2.903 4.817 1.00 0.00 C ATOM 1094 CD GLU A 67 -2.878 -2.087 6.058 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -2.195 -2.228 7.060 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -3.837 -1.337 5.985 1.00 0.00 O ATOM 0 H GLU A 67 -1.390 -3.018 2.142 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.501 -0.655 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.616 -3.587 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.462 -2.521 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.124 -2.599 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.704 -3.961 4.992 1.00 0.00 H new ATOM 1103 N ALA A 68 1.444 -1.676 2.849 1.00 0.00 N ATOM 1104 CA ALA A 68 2.868 -1.234 2.804 1.00 0.00 C ATOM 1105 C ALA A 68 3.020 -0.024 1.876 1.00 0.00 C ATOM 1106 O ALA A 68 3.848 0.837 2.094 1.00 0.00 O ATOM 1107 CB ALA A 68 3.639 -2.431 2.246 1.00 0.00 C ATOM 0 H ALA A 68 1.233 -2.519 2.314 1.00 0.00 H new ATOM 0 HA ALA A 68 3.235 -0.932 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.699 -2.184 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.506 -3.289 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.263 -2.675 1.252 1.00 0.00 H new ATOM 1113 N THR A 69 2.227 0.046 0.842 1.00 0.00 N ATOM 1114 CA THR A 69 2.327 1.199 -0.099 1.00 0.00 C ATOM 1115 C THR A 69 1.483 2.380 0.399 1.00 0.00 C ATOM 1116 O THR A 69 1.476 3.438 -0.196 1.00 0.00 O ATOM 1117 CB THR A 69 1.781 0.669 -1.427 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.469 0.165 -1.227 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.688 -0.450 -1.941 1.00 0.00 C ATOM 0 H THR A 69 1.514 -0.645 0.608 1.00 0.00 H new ATOM 0 HA THR A 69 3.349 1.566 -0.191 1.00 0.00 H new ATOM 0 HB THR A 69 1.753 1.476 -2.160 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.186 0.829 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.299 -0.828 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.695 -0.062 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.717 -1.259 -1.211 1.00 0.00 H new ATOM 1127 N ARG A 70 0.773 2.213 1.486 1.00 0.00 N ATOM 1128 CA ARG A 70 -0.065 3.331 2.009 1.00 0.00 C ATOM 1129 C ARG A 70 -0.985 3.859 0.903 1.00 0.00 C ATOM 1130 O ARG A 70 -1.324 5.025 0.864 1.00 0.00 O ATOM 1131 CB ARG A 70 0.932 4.406 2.446 1.00 0.00 C ATOM 1132 CG ARG A 70 1.064 4.392 3.971 1.00 0.00 C ATOM 1133 CD ARG A 70 0.742 5.782 4.526 1.00 0.00 C ATOM 1134 NE ARG A 70 0.941 5.663 5.997 1.00 0.00 N ATOM 1135 CZ ARG A 70 -0.077 5.431 6.777 1.00 0.00 C ATOM 1136 NH1 ARG A 70 -1.142 6.183 6.702 1.00 0.00 N ATOM 1137 NH2 ARG A 70 -0.034 4.443 7.629 1.00 0.00 N ATOM 0 H ARG A 70 0.738 1.352 2.032 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.707 3.019 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.903 4.225 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.596 5.387 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.387 3.653 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.075 4.100 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.399 6.540 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.281 6.075 4.288 1.00 0.00 H new ATOM 0 HE ARG A 70 1.875 5.763 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.177 6.952 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.939 6.001 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.796 3.853 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.831 4.261 8.240 1.00 0.00 H new ATOM 1151 N SER A 71 -1.388 3.003 0.006 1.00 0.00 N ATOM 1152 CA SER A 71 -2.285 3.439 -1.104 1.00 0.00 C ATOM 1153 C SER A 71 -3.585 2.631 -1.074 1.00 0.00 C ATOM 1154 O SER A 71 -3.874 1.942 -0.116 1.00 0.00 O ATOM 1155 CB SER A 71 -1.508 3.128 -2.371 1.00 0.00 C ATOM 1156 OG SER A 71 -0.918 1.843 -2.253 1.00 0.00 O ATOM 0 H SER A 71 -1.134 2.015 -0.007 1.00 0.00 H new ATOM 0 HA SER A 71 -2.556 4.492 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.171 3.159 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.737 3.882 -2.534 1.00 0.00 H new ATOM 0 HG SER A 71 -0.233 1.733 -2.945 1.00 0.00 H new ATOM 1162 N GLU A 72 -4.370 2.703 -2.116 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.646 1.928 -2.132 1.00 0.00 C ATOM 1164 C GLU A 72 -5.797 1.141 -3.441 1.00 0.00 C ATOM 1165 O GLU A 72 -5.760 1.701 -4.518 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.750 2.979 -2.015 1.00 0.00 C ATOM 1167 CG GLU A 72 -7.912 2.405 -1.203 1.00 0.00 C ATOM 1168 CD GLU A 72 -8.965 1.825 -2.149 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -8.581 1.292 -3.177 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -10.139 1.924 -1.829 1.00 0.00 O ATOM 0 H GLU A 72 -4.186 3.260 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.682 1.196 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.363 3.877 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.095 3.273 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.549 1.630 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.356 3.185 -0.584 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.965 -0.155 -3.357 1.00 0.00 N ATOM 1178 CA LEU A 73 -6.117 -0.975 -4.584 1.00 0.00 C ATOM 1179 C LEU A 73 -7.338 -0.564 -5.396 1.00 0.00 C ATOM 1180 O LEU A 73 -8.450 -0.920 -5.050 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.388 -2.388 -4.055 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.422 -3.399 -4.648 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -6.042 -4.789 -4.505 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -5.191 -3.155 -6.143 1.00 0.00 C ATOM 0 H LEU A 73 -6.003 -0.678 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.240 -0.876 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.301 -2.394 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.411 -2.677 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.471 -3.309 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.366 -5.534 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.211 -5.005 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.992 -4.820 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.494 -3.899 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.139 -3.234 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.775 -2.158 -6.289 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.165 0.107 -6.500 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.367 0.412 -7.309 1.00 0.00 C ATOM 1198 C VAL A 74 -8.810 -0.912 -7.941 1.00 0.00 C ATOM 1199 O VAL A 74 -9.978 -1.148 -8.168 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.976 1.464 -8.354 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.725 2.794 -7.659 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.712 1.058 -9.081 1.00 0.00 C ATOM 0 H VAL A 74 -6.275 0.446 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.194 0.820 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.790 1.552 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.447 3.544 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.631 3.112 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.917 2.680 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.455 1.820 -9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.897 0.956 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.873 0.105 -9.586 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.876 -1.817 -8.173 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.257 -3.155 -8.730 1.00 0.00 C ATOM 1214 C GLN A 75 -7.072 -4.060 -8.954 1.00 0.00 C ATOM 1215 O GLN A 75 -5.937 -3.697 -8.810 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.002 -2.894 -10.044 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.260 -3.767 -10.100 1.00 0.00 C ATOM 1218 CD GLN A 75 -11.394 -3.086 -9.331 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -12.137 -2.302 -9.888 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -11.561 -3.353 -8.064 1.00 0.00 N ATOM 0 H GLN A 75 -6.879 -1.684 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.886 -3.680 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.274 -1.841 -10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.354 -3.116 -10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.556 -3.929 -11.136 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.054 -4.747 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.938 -4.011 -7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.314 -2.904 -7.543 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.371 -5.280 -9.245 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.320 -6.294 -9.440 1.00 0.00 C ATOM 1231 C VAL A 76 -6.472 -6.945 -10.829 1.00 0.00 C ATOM 1232 O VAL A 76 -7.370 -7.731 -11.059 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.597 -7.253 -8.274 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.287 -8.705 -8.655 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.722 -6.862 -7.082 1.00 0.00 C ATOM 0 H VAL A 76 -8.324 -5.626 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.295 -5.923 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.655 -7.179 -8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.495 -9.356 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.910 -9.000 -9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.236 -8.792 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.915 -7.540 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.671 -6.925 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.955 -5.841 -6.779 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.598 -6.637 -11.745 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.684 -7.248 -13.101 1.00 0.00 C ATOM 1247 C ILE A 77 -4.999 -8.626 -13.068 1.00 0.00 C ATOM 1248 O ILE A 77 -4.167 -8.882 -12.226 1.00 0.00 O ATOM 1249 CB ILE A 77 -4.968 -6.236 -14.024 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -6.001 -5.264 -14.607 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.258 -6.943 -15.181 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -6.774 -4.582 -13.476 1.00 0.00 C ATOM 0 H ILE A 77 -4.824 -5.986 -11.613 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.700 -7.426 -13.453 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.226 -5.703 -13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.501 -4.514 -15.221 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.691 -5.801 -15.258 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.764 -6.203 -15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.515 -7.635 -14.784 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.988 -7.495 -15.773 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.505 -3.893 -13.899 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.288 -5.336 -12.880 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.080 -4.030 -12.842 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.363 -9.515 -13.961 1.00 0.00 N ATOM 1265 CA GLY A 78 -4.747 -10.886 -13.978 1.00 0.00 C ATOM 1266 C GLY A 78 -3.228 -10.801 -13.761 1.00 0.00 C ATOM 1267 O GLY A 78 -2.490 -10.362 -14.620 1.00 0.00 O ATOM 0 H GLY A 78 -6.064 -9.352 -14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.197 -11.502 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.957 -11.373 -14.930 1.00 0.00 H new ATOM 1271 N SER A 79 -2.770 -11.217 -12.602 1.00 0.00 N ATOM 1272 CA SER A 79 -1.303 -11.176 -12.266 1.00 0.00 C ATOM 1273 C SER A 79 -0.822 -9.737 -12.033 1.00 0.00 C ATOM 1274 O SER A 79 0.332 -9.507 -11.726 1.00 0.00 O ATOM 1275 CB SER A 79 -0.569 -11.798 -13.457 1.00 0.00 C ATOM 1276 OG SER A 79 -1.411 -12.760 -14.079 1.00 0.00 O ATOM 0 H SER A 79 -3.361 -11.591 -11.859 1.00 0.00 H new ATOM 0 HA SER A 79 -1.106 -11.723 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.292 -11.024 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.356 -12.269 -13.123 1.00 0.00 H new ATOM 0 HG SER A 79 -0.944 -13.158 -14.843 1.00 0.00 H new ATOM 1282 N MET A 80 -1.684 -8.765 -12.168 1.00 0.00 N ATOM 1283 CA MET A 80 -1.259 -7.357 -11.942 1.00 0.00 C ATOM 1284 C MET A 80 -2.124 -6.706 -10.854 1.00 0.00 C ATOM 1285 O MET A 80 -3.306 -6.963 -10.758 1.00 0.00 O ATOM 1286 CB MET A 80 -1.471 -6.656 -13.286 1.00 0.00 C ATOM 1287 CG MET A 80 -0.711 -7.405 -14.385 1.00 0.00 C ATOM 1288 SD MET A 80 -0.060 -6.213 -15.583 1.00 0.00 S ATOM 1289 CE MET A 80 0.375 -7.398 -16.879 1.00 0.00 C ATOM 0 H MET A 80 -2.664 -8.887 -12.425 1.00 0.00 H new ATOM 0 HA MET A 80 -0.224 -7.290 -11.606 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.534 -6.621 -13.525 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.123 -5.625 -13.228 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.104 -7.983 -13.950 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.373 -8.113 -14.883 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.179 -6.989 -17.491 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.704 -8.331 -16.423 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.496 -7.588 -17.506 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.553 -5.854 -10.046 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.351 -5.176 -8.987 1.00 0.00 C ATOM 1301 C ILE A 81 -2.450 -3.683 -9.319 1.00 0.00 C ATOM 1302 O ILE A 81 -1.490 -3.060 -9.726 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.586 -5.396 -7.683 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.468 -6.900 -7.411 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.346 -4.725 -6.536 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -0.793 -7.130 -6.057 1.00 0.00 C ATOM 0 H ILE A 81 -0.566 -5.598 -10.075 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.365 -5.567 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.589 -4.964 -7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.457 -7.359 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.890 -7.378 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.805 -4.878 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.433 -3.657 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.341 -5.162 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.711 -8.200 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.203 -6.686 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.389 -6.667 -5.270 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.613 -3.123 -9.185 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.815 -1.681 -9.529 1.00 0.00 C ATOM 1320 C VAL A 82 -3.992 -0.847 -8.255 1.00 0.00 C ATOM 1321 O VAL A 82 -4.983 -0.952 -7.564 1.00 0.00 O ATOM 1322 CB VAL A 82 -5.094 -1.688 -10.391 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -5.230 -0.354 -11.115 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.972 -2.786 -11.451 1.00 0.00 C ATOM 0 H VAL A 82 -4.447 -3.603 -8.848 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.969 -1.238 -10.054 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.958 -1.860 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.134 -0.361 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.291 0.452 -10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.362 -0.198 -11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.872 -2.799 -12.066 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.105 -2.589 -12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.853 -3.753 -10.962 1.00 0.00 H new ATOM 1334 N ILE A 83 -3.025 -0.023 -7.935 1.00 0.00 N ATOM 1335 CA ILE A 83 -3.122 0.801 -6.689 1.00 0.00 C ATOM 1336 C ILE A 83 -2.744 2.259 -6.954 1.00 0.00 C ATOM 1337 O ILE A 83 -2.062 2.577 -7.907 1.00 0.00 O ATOM 1338 CB ILE A 83 -2.114 0.174 -5.721 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.403 -1.323 -5.581 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -2.228 0.848 -4.355 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -1.257 -2.019 -4.851 1.00 0.00 C ATOM 0 H ILE A 83 -2.174 0.115 -8.481 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.139 0.808 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.105 0.313 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.334 -1.471 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.538 -1.768 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.510 0.401 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.019 1.913 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.237 0.712 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.477 -3.083 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.333 -1.887 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.142 -1.585 -3.858 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.179 3.142 -6.098 1.00 0.00 N ATOM 1354 CA TYR A 84 -2.845 4.584 -6.267 1.00 0.00 C ATOM 1355 C TYR A 84 -2.392 5.165 -4.919 1.00 0.00 C ATOM 1356 O TYR A 84 -3.177 5.301 -4.000 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.161 5.224 -6.740 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.174 6.716 -6.459 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.356 7.577 -7.198 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.002 7.229 -5.451 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.365 8.953 -6.931 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.011 8.604 -5.185 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.192 9.466 -5.924 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.199 10.820 -5.660 1.00 0.00 O ATOM 0 H TYR A 84 -3.755 2.925 -5.284 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.034 4.763 -6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.290 5.051 -7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.002 4.748 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.718 7.182 -7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.633 6.564 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.734 9.618 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.650 9.000 -4.409 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.286 11.171 -5.726 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.140 5.515 -4.794 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.670 6.094 -3.498 1.00 0.00 C ATOM 1376 C ARG A 85 -0.734 7.626 -3.542 1.00 0.00 C ATOM 1377 O ARG A 85 -0.025 8.255 -4.299 1.00 0.00 O ATOM 1378 CB ARG A 85 0.785 5.625 -3.349 1.00 0.00 C ATOM 1379 CG ARG A 85 1.452 6.329 -2.154 1.00 0.00 C ATOM 1380 CD ARG A 85 0.573 6.197 -0.903 1.00 0.00 C ATOM 1381 NE ARG A 85 1.438 6.643 0.225 1.00 0.00 N ATOM 1382 CZ ARG A 85 0.999 7.534 1.072 1.00 0.00 C ATOM 1383 NH1 ARG A 85 -0.249 7.513 1.455 1.00 0.00 N ATOM 1384 NH2 ARG A 85 1.807 8.447 1.537 1.00 0.00 N ATOM 0 H ARG A 85 -0.430 5.428 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.290 5.773 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.813 4.545 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.339 5.840 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.433 5.892 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.612 7.382 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.322 6.815 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.239 5.169 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 85 2.374 6.252 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.882 6.800 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.591 8.210 2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.782 8.465 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.463 9.143 2.199 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.566 8.209 -2.704 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.718 9.708 -2.622 1.00 0.00 C ATOM 1400 C GLU A 86 -1.383 10.417 -3.949 1.00 0.00 C ATOM 1401 O GLU A 86 -1.611 9.896 -5.022 1.00 0.00 O ATOM 1402 CB GLU A 86 -0.752 10.136 -1.506 1.00 0.00 C ATOM 1403 CG GLU A 86 0.708 10.024 -1.972 1.00 0.00 C ATOM 1404 CD GLU A 86 1.514 11.193 -1.399 1.00 0.00 C ATOM 1405 OE1 GLU A 86 1.049 12.316 -1.508 1.00 0.00 O ATOM 1406 OE2 GLU A 86 2.581 10.946 -0.863 1.00 0.00 O ATOM 0 H GLU A 86 -2.163 7.696 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.751 9.986 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.965 11.163 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.906 9.511 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.135 9.077 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.756 10.034 -3.061 1.00 0.00 H new ATOM 1531 N GLU A 94 -7.505 11.078 -11.820 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.794 11.633 -11.321 1.00 0.00 C ATOM 1533 C GLU A 94 -9.105 11.054 -9.959 1.00 0.00 C ATOM 1534 O GLU A 94 -8.700 9.955 -9.642 1.00 0.00 O ATOM 1535 CB GLU A 94 -9.867 11.159 -12.283 1.00 0.00 C ATOM 1536 CG GLU A 94 -11.020 12.162 -12.277 1.00 0.00 C ATOM 1537 CD GLU A 94 -10.868 13.129 -13.454 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -10.009 13.991 -13.379 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -11.614 12.990 -14.409 1.00 0.00 O ATOM 0 HA GLU A 94 -8.746 12.720 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.456 11.064 -13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.225 10.172 -11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.972 11.636 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.029 12.715 -11.338 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.852 11.755 -9.166 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.210 11.193 -7.851 1.00 0.00 C ATOM 1548 C LEU A 95 -11.375 11.973 -7.231 1.00 0.00 C ATOM 1549 O LEU A 95 -11.230 12.574 -6.185 1.00 0.00 O ATOM 1550 CB LEU A 95 -8.945 11.305 -6.998 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.657 9.956 -6.344 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -7.776 9.123 -7.269 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -7.941 10.167 -5.008 1.00 0.00 C ATOM 0 H LEU A 95 -10.225 12.682 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.543 10.158 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.101 11.610 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.074 12.072 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.597 9.434 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.569 8.159 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.290 8.965 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.838 9.648 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.739 9.200 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.001 10.692 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.573 10.759 -4.346 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.500 11.934 -7.903 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.704 12.644 -7.409 1.00 0.00 C ATOM 1567 C PRO A 96 -14.311 11.899 -6.216 1.00 0.00 C ATOM 1568 O PRO A 96 -15.504 11.646 -6.246 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.652 12.623 -8.602 1.00 0.00 C ATOM 1570 CG PRO A 96 -14.226 11.446 -9.416 1.00 0.00 C ATOM 1571 CD PRO A 96 -12.756 11.236 -9.169 1.00 0.00 C ATOM 0 HA PRO A 96 -13.491 13.655 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.689 12.525 -8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.582 13.546 -9.177 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.793 10.559 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.416 11.623 -10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.512 10.176 -9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.153 11.647 -9.979 1.00 0.00 H new