USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 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 15 ASN : amide:sc= 0 X(o=1.3,f=1.1) USER MOD Set 1.2: A 19 THR OG1 : rot 115:sc= 1.25 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.36 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -92:sc= 0.825 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -160:sc= -0.0379 (180deg=-0.655) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.17) USER MOD Single : A 33 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 40 CYS SG : rot 53:sc= -1.8 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 57 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.314 K(o=-0.31,f=-0.93) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.0391 K(o=-0.039,f=-0.69) USER MOD Single : A 69 THR OG1 : rot -110:sc= -0.0229 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.092) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.284) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.35) USER MOD Single : A 97 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.5) USER MOD Single : A 98 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.29) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.979 -6.231 -5.489 1.00 0.00 N ATOM 2 CA GLY A 1 21.112 -4.796 -5.666 1.00 0.00 C ATOM 3 C GLY A 1 22.358 -4.243 -5.003 1.00 0.00 C ATOM 4 O GLY A 1 22.272 -3.393 -4.117 1.00 0.00 O ATOM 0 H1 GLY A 1 20.112 -6.560 -5.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.803 -6.710 -5.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.927 -6.452 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.138 -4.565 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.234 -4.299 -5.254 1.00 0.00 H new ATOM 8 N SER A 2 23.519 -4.728 -5.432 1.00 0.00 N ATOM 9 CA SER A 2 24.788 -4.280 -4.870 1.00 0.00 C ATOM 10 C SER A 2 24.967 -2.777 -5.060 1.00 0.00 C ATOM 11 O SER A 2 25.588 -2.105 -4.237 1.00 0.00 O ATOM 12 CB SER A 2 25.951 -5.031 -5.521 1.00 0.00 C ATOM 13 OG SER A 2 25.849 -5.003 -6.934 1.00 0.00 O ATOM 0 H SER A 2 23.607 -5.431 -6.166 1.00 0.00 H new ATOM 0 HA SER A 2 24.780 -4.494 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.896 -4.583 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.960 -6.064 -5.174 1.00 0.00 H new ATOM 0 HG SER A 2 26.605 -5.488 -7.326 1.00 0.00 H new ATOM 19 N SER A 3 24.419 -2.257 -6.153 1.00 0.00 N ATOM 20 CA SER A 3 24.520 -0.834 -6.456 1.00 0.00 C ATOM 21 C SER A 3 23.508 -0.032 -5.643 1.00 0.00 C ATOM 22 O SER A 3 22.299 -0.170 -5.826 1.00 0.00 O ATOM 23 CB SER A 3 24.298 -0.591 -7.950 1.00 0.00 C ATOM 24 OG SER A 3 24.724 0.707 -8.325 1.00 0.00 O ATOM 0 H SER A 3 23.900 -2.799 -6.844 1.00 0.00 H new ATOM 0 HA SER A 3 25.522 -0.501 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.843 -1.337 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.241 -0.713 -8.188 1.00 0.00 H new ATOM 0 HG SER A 3 24.573 0.836 -9.285 1.00 0.00 H new ATOM 30 N GLY A 4 24.012 0.808 -4.744 1.00 0.00 N ATOM 31 CA GLY A 4 23.140 1.620 -3.916 1.00 0.00 C ATOM 32 C GLY A 4 23.755 1.942 -2.568 1.00 0.00 C ATOM 33 O GLY A 4 23.078 1.889 -1.541 1.00 0.00 O ATOM 0 H GLY A 4 25.009 0.941 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.910 2.549 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.196 1.096 -3.765 1.00 0.00 H new ATOM 37 N SER A 5 25.041 2.274 -2.571 1.00 0.00 N ATOM 38 CA SER A 5 25.749 2.601 -1.338 1.00 0.00 C ATOM 39 C SER A 5 25.594 4.080 -0.998 1.00 0.00 C ATOM 40 O SER A 5 25.250 4.437 0.129 1.00 0.00 O ATOM 41 CB SER A 5 27.232 2.247 -1.467 1.00 0.00 C ATOM 42 OG SER A 5 27.829 2.078 -0.193 1.00 0.00 O ATOM 0 H SER A 5 25.615 2.324 -3.413 1.00 0.00 H new ATOM 0 HA SER A 5 25.312 2.014 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.341 1.331 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.751 3.035 -2.014 1.00 0.00 H new ATOM 0 HG SER A 5 28.776 1.851 -0.303 1.00 0.00 H new ATOM 48 N SER A 6 25.852 4.937 -1.981 1.00 0.00 N ATOM 49 CA SER A 6 25.746 6.378 -1.787 1.00 0.00 C ATOM 50 C SER A 6 24.312 6.776 -1.450 1.00 0.00 C ATOM 51 O SER A 6 24.048 7.356 -0.398 1.00 0.00 O ATOM 52 CB SER A 6 26.212 7.119 -3.042 1.00 0.00 C ATOM 53 OG SER A 6 27.612 6.993 -3.218 1.00 0.00 O ATOM 0 H SER A 6 26.136 4.658 -2.920 1.00 0.00 H new ATOM 0 HA SER A 6 26.388 6.656 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.695 6.722 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.945 8.173 -2.966 1.00 0.00 H new ATOM 0 HG SER A 6 27.885 7.474 -4.027 1.00 0.00 H new ATOM 59 N GLY A 7 23.389 6.460 -2.353 1.00 0.00 N ATOM 60 CA GLY A 7 21.993 6.792 -2.135 1.00 0.00 C ATOM 61 C GLY A 7 21.286 5.779 -1.256 1.00 0.00 C ATOM 62 O GLY A 7 20.182 5.336 -1.573 1.00 0.00 O ATOM 0 H GLY A 7 23.583 5.980 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.925 7.778 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.483 6.853 -3.096 1.00 0.00 H new ATOM 66 N TYR A 8 21.924 5.410 -0.151 1.00 0.00 N ATOM 67 CA TYR A 8 21.352 4.438 0.773 1.00 0.00 C ATOM 68 C TYR A 8 20.216 5.059 1.581 1.00 0.00 C ATOM 69 O TYR A 8 19.127 4.493 1.679 1.00 0.00 O ATOM 70 CB TYR A 8 22.430 3.904 1.717 1.00 0.00 C ATOM 71 CG TYR A 8 22.650 4.768 2.937 1.00 0.00 C ATOM 72 CD1 TYR A 8 23.366 5.956 2.852 1.00 0.00 C ATOM 73 CD2 TYR A 8 22.141 4.398 4.176 1.00 0.00 C ATOM 74 CE1 TYR A 8 23.570 6.749 3.965 1.00 0.00 C ATOM 75 CE2 TYR A 8 22.339 5.185 5.294 1.00 0.00 C ATOM 76 CZ TYR A 8 23.054 6.359 5.184 1.00 0.00 C ATOM 77 OH TYR A 8 23.254 7.147 6.294 1.00 0.00 O ATOM 0 H TYR A 8 22.837 5.769 0.127 1.00 0.00 H new ATOM 0 HA TYR A 8 20.949 3.611 0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.154 2.900 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.369 3.817 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 8 23.770 6.265 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 8 21.581 3.479 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.130 7.669 3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 8 21.936 4.882 6.249 1.00 0.00 H new ATOM 0 HH TYR A 8 22.826 6.732 7.072 1.00 0.00 H new ATOM 87 N ARG A 9 20.479 6.228 2.157 1.00 0.00 N ATOM 88 CA ARG A 9 19.480 6.927 2.957 1.00 0.00 C ATOM 89 C ARG A 9 18.084 6.738 2.371 1.00 0.00 C ATOM 90 O ARG A 9 17.128 6.465 3.095 1.00 0.00 O ATOM 91 CB ARG A 9 19.813 8.418 3.038 1.00 0.00 C ATOM 92 CG ARG A 9 19.035 9.158 4.114 1.00 0.00 C ATOM 93 CD ARG A 9 19.329 10.650 4.087 1.00 0.00 C ATOM 94 NE ARG A 9 18.783 11.294 2.896 1.00 0.00 N ATOM 95 CZ ARG A 9 19.261 12.425 2.389 1.00 0.00 C ATOM 96 NH1 ARG A 9 20.289 13.033 2.965 1.00 0.00 N ATOM 97 NH2 ARG A 9 18.710 12.950 1.302 1.00 0.00 N ATOM 0 H ARG A 9 21.375 6.711 2.085 1.00 0.00 H new ATOM 0 HA ARG A 9 19.494 6.503 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.880 8.534 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.610 8.880 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.967 8.994 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.291 8.753 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.909 11.118 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.407 10.808 4.122 1.00 0.00 H new ATOM 0 HE ARG A 9 17.992 10.852 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.716 12.632 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.653 13.901 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.919 12.485 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.077 13.818 0.913 1.00 0.00 H new ATOM 111 N ALA A 10 17.976 6.885 1.054 1.00 0.00 N ATOM 112 CA ALA A 10 16.698 6.729 0.370 1.00 0.00 C ATOM 113 C ALA A 10 16.294 5.261 0.291 1.00 0.00 C ATOM 114 O ALA A 10 15.132 4.913 0.508 1.00 0.00 O ATOM 115 CB ALA A 10 16.768 7.336 -1.023 1.00 0.00 C ATOM 0 H ALA A 10 18.758 7.112 0.440 1.00 0.00 H new ATOM 0 HA ALA A 10 15.938 7.257 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.807 7.212 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.003 8.398 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.544 6.834 -1.600 1.00 0.00 H new ATOM 121 N THR A 11 17.259 4.402 -0.022 1.00 0.00 N ATOM 122 CA THR A 11 17.003 2.972 -0.132 1.00 0.00 C ATOM 123 C THR A 11 16.438 2.413 1.169 1.00 0.00 C ATOM 124 O THR A 11 15.471 1.650 1.161 1.00 0.00 O ATOM 125 CB THR A 11 18.284 2.198 -0.496 1.00 0.00 C ATOM 126 OG1 THR A 11 18.774 2.634 -1.769 1.00 0.00 O ATOM 127 CG2 THR A 11 18.019 0.701 -0.535 1.00 0.00 C ATOM 0 H THR A 11 18.226 4.672 -0.204 1.00 0.00 H new ATOM 0 HA THR A 11 16.270 2.843 -0.929 1.00 0.00 H new ATOM 0 HB THR A 11 19.033 2.398 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.203 3.510 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.938 0.175 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.674 0.367 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.255 0.486 -1.282 1.00 0.00 H new ATOM 135 N LYS A 12 17.046 2.797 2.286 1.00 0.00 N ATOM 136 CA LYS A 12 16.602 2.337 3.596 1.00 0.00 C ATOM 137 C LYS A 12 15.105 2.567 3.776 1.00 0.00 C ATOM 138 O LYS A 12 14.347 1.628 4.021 1.00 0.00 O ATOM 139 CB LYS A 12 17.377 3.057 4.702 1.00 0.00 C ATOM 140 CG LYS A 12 18.666 2.359 5.096 1.00 0.00 C ATOM 141 CD LYS A 12 18.401 1.168 6.003 1.00 0.00 C ATOM 142 CE LYS A 12 19.498 0.122 5.883 1.00 0.00 C ATOM 143 NZ LYS A 12 20.801 0.623 6.402 1.00 0.00 N ATOM 0 H LYS A 12 17.848 3.426 2.310 1.00 0.00 H new ATOM 0 HA LYS A 12 16.797 1.267 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.609 4.069 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.739 3.147 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.189 2.026 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.323 3.065 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.330 1.505 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.441 0.721 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.208 -0.773 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.610 -0.168 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.523 -0.119 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.091 1.462 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.701 0.876 7.406 1.00 0.00 H new ATOM 157 N LEU A 13 14.685 3.821 3.653 1.00 0.00 N ATOM 158 CA LEU A 13 13.278 4.175 3.800 1.00 0.00 C ATOM 159 C LEU A 13 12.404 3.329 2.879 1.00 0.00 C ATOM 160 O LEU A 13 11.531 2.593 3.340 1.00 0.00 O ATOM 161 CB LEU A 13 13.070 5.660 3.496 1.00 0.00 C ATOM 162 CG LEU A 13 11.714 6.243 3.895 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.586 6.311 5.409 1.00 0.00 C ATOM 164 CD2 LEU A 13 11.525 7.622 3.279 1.00 0.00 C ATOM 0 H LEU A 13 15.299 4.610 3.452 1.00 0.00 H new ATOM 0 HA LEU A 13 12.986 3.977 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.850 6.227 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.209 5.814 2.426 1.00 0.00 H new ATOM 0 HG LEU A 13 10.932 5.586 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.615 6.729 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.676 5.308 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.375 6.945 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.555 8.022 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.314 8.288 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.571 7.545 2.193 1.00 0.00 H new ATOM 176 N TRP A 14 12.647 3.438 1.578 1.00 0.00 N ATOM 177 CA TRP A 14 11.883 2.680 0.593 1.00 0.00 C ATOM 178 C TRP A 14 11.806 1.208 0.979 1.00 0.00 C ATOM 179 O TRP A 14 10.744 0.591 0.901 1.00 0.00 O ATOM 180 CB TRP A 14 12.515 2.825 -0.793 1.00 0.00 C ATOM 181 CG TRP A 14 11.842 1.994 -1.842 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.145 0.708 -2.190 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.752 2.392 -2.682 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.310 0.283 -3.195 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.446 1.297 -3.514 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.005 3.566 -2.811 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.426 1.345 -4.460 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.993 3.611 -3.751 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.710 2.506 -4.565 1.00 0.00 C ATOM 0 H TRP A 14 13.366 4.043 1.181 1.00 0.00 H new ATOM 0 HA TRP A 14 10.870 3.082 0.567 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.481 3.873 -1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.567 2.544 -0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.926 0.113 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.330 -0.638 -3.633 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.215 4.423 -2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.207 0.495 -5.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.410 4.514 -3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.911 2.572 -5.289 1.00 0.00 H new ATOM 200 N ASN A 15 12.938 0.649 1.396 1.00 0.00 N ATOM 201 CA ASN A 15 12.997 -0.753 1.794 1.00 0.00 C ATOM 202 C ASN A 15 12.102 -1.013 3.002 1.00 0.00 C ATOM 203 O ASN A 15 11.523 -2.090 3.136 1.00 0.00 O ATOM 204 CB ASN A 15 14.438 -1.153 2.116 1.00 0.00 C ATOM 205 CG ASN A 15 14.697 -2.627 1.874 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.902 -3.481 2.267 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.814 -2.933 1.224 1.00 0.00 N ATOM 0 H ASN A 15 13.826 1.145 1.467 1.00 0.00 H new ATOM 0 HA ASN A 15 12.637 -1.357 0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.121 -0.562 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.654 -0.915 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.042 -3.909 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.444 -2.192 0.917 1.00 0.00 H new ATOM 214 N GLU A 16 11.995 -0.019 3.878 1.00 0.00 N ATOM 215 CA GLU A 16 11.172 -0.141 5.075 1.00 0.00 C ATOM 216 C GLU A 16 9.690 -0.024 4.730 1.00 0.00 C ATOM 217 O GLU A 16 8.912 -0.950 4.962 1.00 0.00 O ATOM 218 CB GLU A 16 11.555 0.931 6.097 1.00 0.00 C ATOM 219 CG GLU A 16 11.378 0.489 7.539 1.00 0.00 C ATOM 220 CD GLU A 16 11.557 1.627 8.525 1.00 0.00 C ATOM 221 OE1 GLU A 16 10.807 2.621 8.425 1.00 0.00 O ATOM 222 OE2 GLU A 16 12.446 1.524 9.396 1.00 0.00 O ATOM 0 H GLU A 16 12.468 0.880 3.781 1.00 0.00 H new ATOM 0 HA GLU A 16 11.350 -1.125 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.595 1.217 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.950 1.821 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.384 0.058 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.097 -0.298 7.764 1.00 0.00 H new ATOM 229 N VAL A 17 9.306 1.121 4.175 1.00 0.00 N ATOM 230 CA VAL A 17 7.919 1.360 3.797 1.00 0.00 C ATOM 231 C VAL A 17 7.383 0.229 2.926 1.00 0.00 C ATOM 232 O VAL A 17 6.247 -0.215 3.095 1.00 0.00 O ATOM 233 CB VAL A 17 7.765 2.693 3.040 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.747 2.765 1.880 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.335 2.865 2.550 1.00 0.00 C ATOM 0 H VAL A 17 9.937 1.898 3.977 1.00 0.00 H new ATOM 0 HA VAL A 17 7.343 1.407 4.721 1.00 0.00 H new ATOM 0 HB VAL A 17 7.990 3.509 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.624 3.713 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.766 2.690 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.556 1.943 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.244 3.812 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.079 2.045 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.655 2.861 3.402 1.00 0.00 H new ATOM 245 N THR A 18 8.209 -0.234 1.993 1.00 0.00 N ATOM 246 CA THR A 18 7.819 -1.313 1.095 1.00 0.00 C ATOM 247 C THR A 18 7.592 -2.612 1.861 1.00 0.00 C ATOM 248 O THR A 18 6.543 -3.245 1.735 1.00 0.00 O ATOM 249 CB THR A 18 8.884 -1.552 0.007 1.00 0.00 C ATOM 250 OG1 THR A 18 10.159 -1.787 0.614 1.00 0.00 O ATOM 251 CG2 THR A 18 8.975 -0.358 -0.931 1.00 0.00 C ATOM 0 H THR A 18 9.153 0.122 1.840 1.00 0.00 H new ATOM 0 HA THR A 18 6.887 -1.007 0.620 1.00 0.00 H new ATOM 0 HB THR A 18 8.591 -2.428 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.640 -0.938 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.733 -0.549 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.010 -0.199 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.247 0.531 -0.363 1.00 0.00 H new ATOM 259 N THR A 19 8.582 -3.004 2.657 1.00 0.00 N ATOM 260 CA THR A 19 8.491 -4.228 3.444 1.00 0.00 C ATOM 261 C THR A 19 7.285 -4.193 4.376 1.00 0.00 C ATOM 262 O THR A 19 6.471 -5.116 4.389 1.00 0.00 O ATOM 263 CB THR A 19 9.765 -4.455 4.279 1.00 0.00 C ATOM 264 OG1 THR A 19 10.906 -4.537 3.418 1.00 0.00 O ATOM 265 CG2 THR A 19 9.652 -5.730 5.102 1.00 0.00 C ATOM 0 H THR A 19 9.456 -2.492 2.774 1.00 0.00 H new ATOM 0 HA THR A 19 8.378 -5.051 2.738 1.00 0.00 H new ATOM 0 HB THR A 19 9.883 -3.611 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.502 -3.779 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.563 -5.870 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.799 -5.653 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.512 -6.582 4.436 1.00 0.00 H new ATOM 273 N SER A 20 7.177 -3.122 5.156 1.00 0.00 N ATOM 274 CA SER A 20 6.071 -2.969 6.095 1.00 0.00 C ATOM 275 C SER A 20 4.733 -2.968 5.363 1.00 0.00 C ATOM 276 O SER A 20 3.812 -3.699 5.729 1.00 0.00 O ATOM 277 CB SER A 20 6.229 -1.673 6.894 1.00 0.00 C ATOM 278 OG SER A 20 7.237 -1.803 7.882 1.00 0.00 O ATOM 0 H SER A 20 7.841 -2.348 5.157 1.00 0.00 H new ATOM 0 HA SER A 20 6.089 -3.816 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.480 -0.854 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.282 -1.416 7.368 1.00 0.00 H new ATOM 0 HG SER A 20 7.320 -0.962 8.377 1.00 0.00 H new ATOM 284 N PHE A 21 4.633 -2.143 4.326 1.00 0.00 N ATOM 285 CA PHE A 21 3.407 -2.046 3.542 1.00 0.00 C ATOM 286 C PHE A 21 2.981 -3.417 3.027 1.00 0.00 C ATOM 287 O PHE A 21 1.872 -3.878 3.300 1.00 0.00 O ATOM 288 CB PHE A 21 3.604 -1.085 2.367 1.00 0.00 C ATOM 289 CG PHE A 21 2.512 -1.166 1.338 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.538 -2.144 0.357 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.461 -0.264 1.351 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.535 -2.222 -0.591 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.455 -0.337 0.406 1.00 0.00 C ATOM 294 CZ PHE A 21 0.493 -1.316 -0.567 1.00 0.00 C ATOM 0 H PHE A 21 5.386 -1.532 4.009 1.00 0.00 H new ATOM 0 HA PHE A 21 2.620 -1.661 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.659 -0.065 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.560 -1.299 1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.352 -2.854 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.427 0.505 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.566 -2.990 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.360 0.371 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.291 -1.373 -1.308 1.00 0.00 H new ATOM 304 N ARG A 22 3.869 -4.064 2.279 1.00 0.00 N ATOM 305 CA ARG A 22 3.585 -5.382 1.724 1.00 0.00 C ATOM 306 C ARG A 22 2.796 -6.231 2.716 1.00 0.00 C ATOM 307 O ARG A 22 1.654 -6.608 2.454 1.00 0.00 O ATOM 308 CB ARG A 22 4.887 -6.093 1.350 1.00 0.00 C ATOM 309 CG ARG A 22 4.750 -7.029 0.160 1.00 0.00 C ATOM 310 CD ARG A 22 5.689 -8.219 0.277 1.00 0.00 C ATOM 311 NE ARG A 22 7.009 -7.931 -0.280 1.00 0.00 N ATOM 312 CZ ARG A 22 7.837 -8.868 -0.729 1.00 0.00 C ATOM 313 NH1 ARG A 22 7.484 -10.145 -0.687 1.00 0.00 N ATOM 314 NH2 ARG A 22 9.021 -8.527 -1.222 1.00 0.00 N ATOM 0 H ARG A 22 4.791 -3.697 2.043 1.00 0.00 H new ATOM 0 HA ARG A 22 2.982 -5.248 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.648 -5.345 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.240 -6.662 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.721 -7.382 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.964 -6.484 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.791 -8.499 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.256 -9.075 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 22 7.311 -6.958 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.575 -10.411 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.122 -10.862 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.296 -7.545 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.656 -9.247 -1.567 1.00 0.00 H new ATOM 328 N ALA A 23 3.413 -6.529 3.855 1.00 0.00 N ATOM 329 CA ALA A 23 2.768 -7.332 4.886 1.00 0.00 C ATOM 330 C ALA A 23 1.555 -6.611 5.464 1.00 0.00 C ATOM 331 O ALA A 23 0.569 -7.242 5.844 1.00 0.00 O ATOM 332 CB ALA A 23 3.759 -7.669 5.990 1.00 0.00 C ATOM 0 H ALA A 23 4.359 -6.226 4.087 1.00 0.00 H new ATOM 0 HA ALA A 23 2.423 -8.259 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.263 -8.269 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.593 -8.232 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.132 -6.748 6.438 1.00 0.00 H new ATOM 338 N GLY A 24 1.634 -5.286 5.528 1.00 0.00 N ATOM 339 CA GLY A 24 0.536 -4.502 6.062 1.00 0.00 C ATOM 340 C GLY A 24 -0.817 -5.111 5.750 1.00 0.00 C ATOM 341 O GLY A 24 -1.326 -5.931 6.513 1.00 0.00 O ATOM 0 H GLY A 24 2.439 -4.741 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.650 -4.412 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.580 -3.493 5.651 1.00 0.00 H new ATOM 345 N MET A 25 -1.401 -4.708 4.627 1.00 0.00 N ATOM 346 CA MET A 25 -2.704 -5.219 4.217 1.00 0.00 C ATOM 347 C MET A 25 -2.565 -6.579 3.538 1.00 0.00 C ATOM 348 O MET A 25 -1.824 -6.743 2.569 1.00 0.00 O ATOM 349 CB MET A 25 -3.389 -4.232 3.270 1.00 0.00 C ATOM 350 CG MET A 25 -3.971 -3.018 3.976 1.00 0.00 C ATOM 351 SD MET A 25 -5.306 -3.448 5.109 1.00 0.00 S ATOM 352 CE MET A 25 -4.802 -2.557 6.579 1.00 0.00 C ATOM 0 H MET A 25 -0.993 -4.029 3.984 1.00 0.00 H new ATOM 0 HA MET A 25 -3.317 -5.338 5.111 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.669 -3.897 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.186 -4.748 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.180 -2.510 4.528 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.344 -2.314 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.298 -2.984 7.451 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.722 -2.637 6.701 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.079 -1.507 6.481 1.00 0.00 H new ATOM 362 N PRO A 26 -3.293 -7.578 4.059 1.00 0.00 N ATOM 363 CA PRO A 26 -3.267 -8.940 3.518 1.00 0.00 C ATOM 364 C PRO A 26 -3.935 -9.034 2.151 1.00 0.00 C ATOM 365 O PRO A 26 -4.344 -8.023 1.577 1.00 0.00 O ATOM 366 CB PRO A 26 -4.054 -9.748 4.554 1.00 0.00 C ATOM 367 CG PRO A 26 -4.953 -8.754 5.205 1.00 0.00 C ATOM 368 CD PRO A 26 -4.197 -7.454 5.214 1.00 0.00 C ATOM 0 HA PRO A 26 -2.249 -9.297 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.624 -10.548 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.389 -10.216 5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.890 -8.657 4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.208 -9.064 6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.866 -6.599 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.645 -7.317 6.144 1.00 0.00 H new ATOM 376 N LEU A 27 -4.044 -10.253 1.633 1.00 0.00 N ATOM 377 CA LEU A 27 -4.664 -10.479 0.332 1.00 0.00 C ATOM 378 C LEU A 27 -5.982 -11.233 0.480 1.00 0.00 C ATOM 379 O LEU A 27 -6.935 -10.988 -0.258 1.00 0.00 O ATOM 380 CB LEU A 27 -3.715 -11.260 -0.578 1.00 0.00 C ATOM 381 CG LEU A 27 -2.514 -10.485 -1.119 1.00 0.00 C ATOM 382 CD1 LEU A 27 -1.525 -11.429 -1.786 1.00 0.00 C ATOM 383 CD2 LEU A 27 -2.969 -9.410 -2.096 1.00 0.00 C ATOM 0 H LEU A 27 -3.711 -11.100 2.094 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.872 -9.508 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.346 -12.125 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.287 -11.641 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.013 -9.999 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.677 -10.859 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.174 -12.161 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.014 -11.944 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.101 -8.868 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.495 -9.875 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.638 -8.716 -1.587 1.00 0.00 H new ATOM 395 N ARG A 28 -6.027 -12.151 1.441 1.00 0.00 N ATOM 396 CA ARG A 28 -7.228 -12.940 1.686 1.00 0.00 C ATOM 397 C ARG A 28 -8.306 -12.096 2.358 1.00 0.00 C ATOM 398 O ARG A 28 -9.488 -12.201 2.030 1.00 0.00 O ATOM 399 CB ARG A 28 -6.897 -14.153 2.559 1.00 0.00 C ATOM 400 CG ARG A 28 -7.985 -15.214 2.565 1.00 0.00 C ATOM 401 CD ARG A 28 -7.976 -16.028 1.280 1.00 0.00 C ATOM 402 NE ARG A 28 -9.087 -16.973 1.223 1.00 0.00 N ATOM 403 CZ ARG A 28 -9.469 -17.593 0.111 1.00 0.00 C ATOM 404 NH1 ARG A 28 -8.831 -17.369 -1.029 1.00 0.00 N ATOM 405 NH2 ARG A 28 -10.490 -18.440 0.140 1.00 0.00 N ATOM 0 H ARG A 28 -5.247 -12.366 2.061 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.608 -13.285 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.967 -14.600 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.723 -13.818 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.843 -15.877 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.958 -14.738 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.028 -15.355 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.034 -16.571 1.201 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.598 -17.168 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.045 -16.720 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.126 -17.846 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.982 -18.616 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.783 -18.915 -0.714 1.00 0.00 H new ATOM 419 N LYS A 29 -7.891 -11.257 3.302 1.00 0.00 N ATOM 420 CA LYS A 29 -8.820 -10.393 4.021 1.00 0.00 C ATOM 421 C LYS A 29 -9.100 -9.119 3.230 1.00 0.00 C ATOM 422 O LYS A 29 -8.190 -8.342 2.941 1.00 0.00 O ATOM 423 CB LYS A 29 -8.255 -10.037 5.398 1.00 0.00 C ATOM 424 CG LYS A 29 -8.633 -11.029 6.485 1.00 0.00 C ATOM 425 CD LYS A 29 -9.878 -10.587 7.235 1.00 0.00 C ATOM 426 CE LYS A 29 -11.132 -11.229 6.660 1.00 0.00 C ATOM 427 NZ LYS A 29 -12.325 -10.352 6.814 1.00 0.00 N ATOM 0 H LYS A 29 -6.917 -11.157 3.587 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.757 -10.935 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.169 -9.979 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.610 -9.046 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.804 -12.009 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.804 -11.136 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.783 -10.851 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.968 -9.502 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.976 -11.448 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.314 -12.181 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.158 -10.825 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.489 -10.164 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.162 -9.454 6.316 1.00 0.00 H new ATOM 441 N HIS A 30 -10.367 -8.910 2.884 1.00 0.00 N ATOM 442 CA HIS A 30 -10.767 -7.728 2.128 1.00 0.00 C ATOM 443 C HIS A 30 -12.281 -7.543 2.171 1.00 0.00 C ATOM 444 O HIS A 30 -13.022 -8.478 2.476 1.00 0.00 O ATOM 445 CB HIS A 30 -10.297 -7.841 0.677 1.00 0.00 C ATOM 446 CG HIS A 30 -10.775 -9.082 -0.012 1.00 0.00 C ATOM 447 ND1 HIS A 30 -10.459 -10.352 0.420 1.00 0.00 N ATOM 448 CD2 HIS A 30 -11.552 -9.241 -1.109 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.019 -11.240 -0.382 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.688 -10.592 -1.318 1.00 0.00 N ATOM 0 H HIS A 30 -11.133 -9.543 3.115 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.298 -6.858 2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.645 -6.970 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.207 -7.819 0.654 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -9.883 -10.572 1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.984 -8.453 -1.708 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.943 -12.313 -0.288 1.00 0.00 H new ATOM 458 N ARG A 31 -12.733 -6.331 1.865 1.00 0.00 N ATOM 459 CA ARG A 31 -14.158 -6.024 1.871 1.00 0.00 C ATOM 460 C ARG A 31 -14.977 -7.230 1.422 1.00 0.00 C ATOM 461 O ARG A 31 -15.746 -7.794 2.200 1.00 0.00 O ATOM 462 CB ARG A 31 -14.448 -4.829 0.960 1.00 0.00 C ATOM 463 CG ARG A 31 -13.835 -3.527 1.450 1.00 0.00 C ATOM 464 CD ARG A 31 -14.767 -2.796 2.403 1.00 0.00 C ATOM 465 NE ARG A 31 -14.137 -1.616 2.988 1.00 0.00 N ATOM 466 CZ ARG A 31 -14.011 -0.457 2.350 1.00 0.00 C ATOM 467 NH1 ARG A 31 -14.472 -0.324 1.114 1.00 0.00 N ATOM 468 NH2 ARG A 31 -13.425 0.571 2.950 1.00 0.00 N ATOM 0 H ARG A 31 -12.133 -5.546 1.610 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.445 -5.772 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.071 -5.045 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.527 -4.703 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.890 -3.735 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.609 -2.886 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.670 -2.498 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.076 -3.474 3.199 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.774 -1.685 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.924 -1.112 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.374 0.566 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.071 0.472 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.329 1.460 2.460 1.00 0.00 H new ATOM 482 N GLN A 32 -14.807 -7.618 0.162 1.00 0.00 N ATOM 483 CA GLN A 32 -15.531 -8.757 -0.390 1.00 0.00 C ATOM 484 C GLN A 32 -15.278 -10.015 0.433 1.00 0.00 C ATOM 485 O GLN A 32 -14.136 -10.329 0.771 1.00 0.00 O ATOM 486 CB GLN A 32 -15.119 -8.993 -1.844 1.00 0.00 C ATOM 487 CG GLN A 32 -15.694 -10.269 -2.440 1.00 0.00 C ATOM 488 CD GLN A 32 -17.038 -10.048 -3.104 1.00 0.00 C ATOM 489 OE1 GLN A 32 -17.129 -9.940 -4.327 1.00 0.00 O ATOM 490 NE2 GLN A 32 -18.093 -9.980 -2.299 1.00 0.00 N ATOM 0 H GLN A 32 -14.175 -7.161 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.596 -8.530 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.440 -8.143 -2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.031 -9.032 -1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.993 -10.672 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.800 -11.017 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.972 -10.075 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.024 -9.833 -2.689 1.00 0.00 H new ATOM 499 N HIS A 33 -16.350 -10.732 0.755 1.00 0.00 N ATOM 500 CA HIS A 33 -16.243 -11.957 1.540 1.00 0.00 C ATOM 501 C HIS A 33 -16.486 -13.184 0.667 1.00 0.00 C ATOM 502 O HIS A 33 -16.046 -14.287 0.992 1.00 0.00 O ATOM 503 CB HIS A 33 -17.242 -11.935 2.697 1.00 0.00 C ATOM 504 CG HIS A 33 -17.539 -13.291 3.258 1.00 0.00 C ATOM 505 ND1 HIS A 33 -18.743 -13.936 3.070 1.00 0.00 N ATOM 506 CD2 HIS A 33 -16.780 -14.127 4.005 1.00 0.00 C ATOM 507 CE1 HIS A 33 -18.713 -15.108 3.677 1.00 0.00 C ATOM 508 NE2 HIS A 33 -17.532 -15.249 4.252 1.00 0.00 N ATOM 0 H HIS A 33 -17.302 -10.486 0.485 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.232 -12.014 1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -16.851 -11.300 3.492 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -18.172 -11.481 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -15.771 -13.945 4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -19.517 -15.829 3.700 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -17.228 -16.059 4.792 1.00 0.00 H new ATOM 516 N PHE A 34 -17.190 -12.985 -0.443 1.00 0.00 N ATOM 517 CA PHE A 34 -17.493 -14.076 -1.362 1.00 0.00 C ATOM 518 C PHE A 34 -16.214 -14.664 -1.949 1.00 0.00 C ATOM 519 O PHE A 34 -16.234 -15.725 -2.574 1.00 0.00 O ATOM 520 CB PHE A 34 -18.405 -13.584 -2.488 1.00 0.00 C ATOM 521 CG PHE A 34 -19.865 -13.628 -2.140 1.00 0.00 C ATOM 522 CD1 PHE A 34 -20.500 -14.838 -1.910 1.00 0.00 C ATOM 523 CD2 PHE A 34 -20.603 -12.459 -2.043 1.00 0.00 C ATOM 524 CE1 PHE A 34 -21.844 -14.882 -1.589 1.00 0.00 C ATOM 525 CE2 PHE A 34 -21.947 -12.497 -1.721 1.00 0.00 C ATOM 526 CZ PHE A 34 -22.568 -13.710 -1.496 1.00 0.00 C ATOM 0 H PHE A 34 -17.561 -12.079 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 34 -18.007 -14.857 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -18.132 -12.561 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -18.233 -14.192 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -19.938 -15.758 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -20.123 -11.508 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -22.327 -15.832 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -22.511 -11.579 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 34 -23.619 -13.742 -1.248 1.00 0.00 H new ATOM 536 N LYS A 35 -15.101 -13.968 -1.743 1.00 0.00 N ATOM 537 CA LYS A 35 -13.811 -14.419 -2.250 1.00 0.00 C ATOM 538 C LYS A 35 -13.828 -14.518 -3.772 1.00 0.00 C ATOM 539 O LYS A 35 -13.296 -15.466 -4.350 1.00 0.00 O ATOM 540 CB LYS A 35 -13.448 -15.777 -1.645 1.00 0.00 C ATOM 541 CG LYS A 35 -12.649 -15.676 -0.358 1.00 0.00 C ATOM 542 CD LYS A 35 -13.557 -15.597 0.858 1.00 0.00 C ATOM 543 CE LYS A 35 -12.846 -16.070 2.117 1.00 0.00 C ATOM 544 NZ LYS A 35 -13.808 -16.484 3.175 1.00 0.00 N ATOM 0 H LYS A 35 -15.067 -13.088 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.059 -13.685 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.364 -16.335 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.875 -16.349 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.993 -16.542 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.010 -14.794 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.896 -14.570 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.445 -16.206 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.193 -16.908 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.210 -15.270 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.284 -16.800 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.415 -15.678 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.398 -17.264 2.822 1.00 0.00 H new ATOM 558 N LYS A 36 -14.442 -13.532 -4.417 1.00 0.00 N ATOM 559 CA LYS A 36 -14.527 -13.505 -5.873 1.00 0.00 C ATOM 560 C LYS A 36 -13.411 -12.652 -6.467 1.00 0.00 C ATOM 561 O LYS A 36 -12.852 -12.984 -7.513 1.00 0.00 O ATOM 562 CB LYS A 36 -15.888 -12.963 -6.315 1.00 0.00 C ATOM 563 CG LYS A 36 -17.011 -13.980 -6.207 1.00 0.00 C ATOM 564 CD LYS A 36 -18.363 -13.350 -6.500 1.00 0.00 C ATOM 565 CE LYS A 36 -19.505 -14.244 -6.042 1.00 0.00 C ATOM 566 NZ LYS A 36 -20.778 -13.486 -5.894 1.00 0.00 N ATOM 0 H LYS A 36 -14.889 -12.740 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.414 -14.526 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.138 -12.093 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.816 -12.622 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.831 -14.798 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.018 -14.411 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.432 -12.384 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.454 -13.161 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.645 -15.051 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.245 -14.706 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.531 -14.131 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.653 -12.731 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.040 -13.066 -6.809 1.00 0.00 H new ATOM 580 N TYR A 37 -13.090 -11.553 -5.794 1.00 0.00 N ATOM 581 CA TYR A 37 -12.041 -10.652 -6.256 1.00 0.00 C ATOM 582 C TYR A 37 -10.845 -11.436 -6.788 1.00 0.00 C ATOM 583 O TYR A 37 -10.511 -11.356 -7.969 1.00 0.00 O ATOM 584 CB TYR A 37 -11.596 -9.728 -5.121 1.00 0.00 C ATOM 585 CG TYR A 37 -12.606 -8.656 -4.782 1.00 0.00 C ATOM 586 CD1 TYR A 37 -13.922 -8.749 -5.219 1.00 0.00 C ATOM 587 CD2 TYR A 37 -12.245 -7.549 -4.023 1.00 0.00 C ATOM 588 CE1 TYR A 37 -14.848 -7.772 -4.911 1.00 0.00 C ATOM 589 CE2 TYR A 37 -13.165 -6.567 -3.709 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.464 -6.683 -4.156 1.00 0.00 C ATOM 591 OH TYR A 37 -15.384 -5.707 -3.847 1.00 0.00 O ATOM 0 H TYR A 37 -13.541 -11.264 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.447 -10.049 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.402 -10.327 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.654 -9.254 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.226 -9.600 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -11.228 -7.455 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.867 -7.860 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.868 -5.714 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.954 -5.010 -3.309 1.00 0.00 H new ATOM 601 N GLY A 38 -10.203 -12.195 -5.905 1.00 0.00 N ATOM 602 CA GLY A 38 -9.052 -12.984 -6.303 1.00 0.00 C ATOM 603 C GLY A 38 -7.755 -12.446 -5.730 1.00 0.00 C ATOM 604 O GLY A 38 -6.846 -12.081 -6.473 1.00 0.00 O ATOM 0 H GLY A 38 -10.460 -12.277 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.191 -14.014 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.986 -13.001 -7.391 1.00 0.00 H new ATOM 608 N ASN A 39 -7.671 -12.396 -4.405 1.00 0.00 N ATOM 609 CA ASN A 39 -6.477 -11.897 -3.733 1.00 0.00 C ATOM 610 C ASN A 39 -6.230 -10.432 -4.080 1.00 0.00 C ATOM 611 O ASN A 39 -5.113 -10.045 -4.424 1.00 0.00 O ATOM 612 CB ASN A 39 -5.259 -12.737 -4.122 1.00 0.00 C ATOM 613 CG ASN A 39 -5.306 -14.132 -3.530 1.00 0.00 C ATOM 614 OD1 ASN A 39 -5.609 -15.103 -4.224 1.00 0.00 O ATOM 615 ND2 ASN A 39 -5.005 -14.239 -2.241 1.00 0.00 N ATOM 0 H ASN A 39 -8.416 -12.695 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.636 -11.976 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.202 -12.808 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.352 -12.234 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.019 -15.153 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.759 -13.407 -1.704 1.00 0.00 H new ATOM 622 N CYS A 40 -7.279 -9.623 -3.986 1.00 0.00 N ATOM 623 CA CYS A 40 -7.177 -8.200 -4.289 1.00 0.00 C ATOM 624 C CYS A 40 -7.738 -7.358 -3.148 1.00 0.00 C ATOM 625 O CYS A 40 -8.346 -7.885 -2.215 1.00 0.00 O ATOM 626 CB CYS A 40 -7.920 -7.880 -5.587 1.00 0.00 C ATOM 627 SG CYS A 40 -7.198 -8.643 -7.059 1.00 0.00 S ATOM 0 H CYS A 40 -8.210 -9.928 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.122 -7.955 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.955 -8.209 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.940 -6.799 -5.724 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.057 -9.920 -6.861 1.00 0.00 H new ATOM 633 N PHE A 41 -7.528 -6.048 -3.226 1.00 0.00 N ATOM 634 CA PHE A 41 -8.011 -5.134 -2.198 1.00 0.00 C ATOM 635 C PHE A 41 -8.163 -3.721 -2.755 1.00 0.00 C ATOM 636 O PHE A 41 -7.360 -3.274 -3.574 1.00 0.00 O ATOM 637 CB PHE A 41 -7.053 -5.124 -1.005 1.00 0.00 C ATOM 638 CG PHE A 41 -5.609 -4.994 -1.396 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.083 -3.765 -1.760 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.776 -6.102 -1.401 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.755 -3.642 -2.121 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.447 -5.985 -1.761 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.936 -4.754 -2.122 1.00 0.00 C ATOM 0 H PHE A 41 -7.027 -5.596 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.989 -5.482 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.318 -4.299 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.185 -6.044 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.719 -2.892 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.170 -7.068 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.358 -2.678 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.808 -6.856 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.898 -4.661 -2.405 1.00 0.00 H new ATOM 653 N THR A 42 -9.200 -3.022 -2.304 1.00 0.00 N ATOM 654 CA THR A 42 -9.460 -1.662 -2.757 1.00 0.00 C ATOM 655 C THR A 42 -8.312 -0.730 -2.385 1.00 0.00 C ATOM 656 O THR A 42 -7.719 -0.856 -1.314 1.00 0.00 O ATOM 657 CB THR A 42 -10.768 -1.110 -2.158 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.666 -1.049 -0.731 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.951 -1.982 -2.550 1.00 0.00 C ATOM 0 H THR A 42 -9.874 -3.376 -1.625 1.00 0.00 H new ATOM 0 HA THR A 42 -9.555 -1.703 -3.842 1.00 0.00 H new ATOM 0 HB THR A 42 -10.929 -0.107 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.501 -0.696 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.864 -1.574 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.043 -2.003 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.795 -2.995 -2.179 1.00 0.00 H new ATOM 667 N ALA A 43 -8.003 0.206 -3.277 1.00 0.00 N ATOM 668 CA ALA A 43 -6.928 1.161 -3.041 1.00 0.00 C ATOM 669 C ALA A 43 -7.272 2.103 -1.892 1.00 0.00 C ATOM 670 O ALA A 43 -6.453 2.341 -1.005 1.00 0.00 O ATOM 671 CB ALA A 43 -6.639 1.954 -4.307 1.00 0.00 C ATOM 0 H ALA A 43 -8.482 0.323 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.034 0.602 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.834 2.664 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.340 1.272 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.535 2.495 -4.610 1.00 0.00 H new ATOM 677 N GLY A 44 -8.490 2.636 -1.914 1.00 0.00 N ATOM 678 CA GLY A 44 -8.920 3.546 -0.869 1.00 0.00 C ATOM 679 C GLY A 44 -8.361 3.175 0.490 1.00 0.00 C ATOM 680 O GLY A 44 -7.663 3.969 1.119 1.00 0.00 O ATOM 0 H GLY A 44 -9.186 2.454 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.607 4.559 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.009 3.551 -0.821 1.00 0.00 H new ATOM 684 N GLU A 45 -8.669 1.964 0.945 1.00 0.00 N ATOM 685 CA GLU A 45 -8.194 1.491 2.239 1.00 0.00 C ATOM 686 C GLU A 45 -6.670 1.530 2.307 1.00 0.00 C ATOM 687 O GLU A 45 -6.093 1.914 3.324 1.00 0.00 O ATOM 688 CB GLU A 45 -8.690 0.067 2.501 1.00 0.00 C ATOM 689 CG GLU A 45 -8.456 -0.407 3.925 1.00 0.00 C ATOM 690 CD GLU A 45 -9.345 -1.575 4.304 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.386 -2.562 3.540 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.000 -1.503 5.365 1.00 0.00 O ATOM 0 H GLU A 45 -9.245 1.293 0.436 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.592 2.154 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.756 0.017 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.190 -0.615 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.412 -0.698 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.635 0.419 4.613 1.00 0.00 H new ATOM 699 N ALA A 46 -6.024 1.131 1.216 1.00 0.00 N ATOM 700 CA ALA A 46 -4.568 1.122 1.150 1.00 0.00 C ATOM 701 C ALA A 46 -3.996 2.500 1.465 1.00 0.00 C ATOM 702 O ALA A 46 -3.036 2.625 2.225 1.00 0.00 O ATOM 703 CB ALA A 46 -4.105 0.657 -0.222 1.00 0.00 C ATOM 0 H ALA A 46 -6.487 0.810 0.366 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.199 0.424 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.016 0.655 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.476 -0.351 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.491 1.333 -0.985 1.00 0.00 H new ATOM 709 N VAL A 47 -4.591 3.532 0.875 1.00 0.00 N ATOM 710 CA VAL A 47 -4.140 4.901 1.093 1.00 0.00 C ATOM 711 C VAL A 47 -3.951 5.188 2.578 1.00 0.00 C ATOM 712 O VAL A 47 -2.914 5.704 2.994 1.00 0.00 O ATOM 713 CB VAL A 47 -5.136 5.920 0.507 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.670 7.341 0.782 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.319 5.688 -0.985 1.00 0.00 C ATOM 0 H VAL A 47 -5.386 3.446 0.242 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.183 5.004 0.582 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.101 5.780 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.386 8.047 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.596 7.498 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.693 7.499 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.026 6.416 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.360 5.799 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.703 4.682 -1.152 1.00 0.00 H new ATOM 725 N ASP A 48 -4.960 4.849 3.373 1.00 0.00 N ATOM 726 CA ASP A 48 -4.905 5.068 4.814 1.00 0.00 C ATOM 727 C ASP A 48 -3.821 4.206 5.454 1.00 0.00 C ATOM 728 O ASP A 48 -3.028 4.689 6.262 1.00 0.00 O ATOM 729 CB ASP A 48 -6.261 4.760 5.450 1.00 0.00 C ATOM 730 CG ASP A 48 -6.478 5.516 6.746 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.800 6.722 6.683 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.327 4.903 7.823 1.00 0.00 O ATOM 0 H ASP A 48 -5.826 4.422 3.044 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.660 6.116 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.055 5.014 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.335 3.689 5.641 1.00 0.00 H new ATOM 737 N TRP A 49 -3.795 2.930 5.088 1.00 0.00 N ATOM 738 CA TRP A 49 -2.809 2.001 5.627 1.00 0.00 C ATOM 739 C TRP A 49 -1.394 2.531 5.426 1.00 0.00 C ATOM 740 O TRP A 49 -0.627 2.661 6.382 1.00 0.00 O ATOM 741 CB TRP A 49 -2.952 0.630 4.963 1.00 0.00 C ATOM 742 CG TRP A 49 -1.685 -0.169 4.970 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.200 -0.947 3.957 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.742 -0.270 6.043 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.013 -1.525 4.336 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.291 -1.125 5.610 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.668 0.280 7.325 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.381 -1.443 6.417 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.414 -0.036 8.124 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.427 -0.890 7.667 1.00 0.00 C ATOM 0 H TRP A 49 -4.445 2.515 4.420 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.990 1.899 6.697 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.731 0.066 5.475 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.282 0.766 3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.679 -1.087 2.999 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.551 -2.151 3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.443 0.941 7.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.162 -2.103 6.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.480 0.382 9.118 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.261 -1.116 8.315 1.00 0.00 H new ATOM 761 N LEU A 50 -1.053 2.837 4.179 1.00 0.00 N ATOM 762 CA LEU A 50 0.272 3.354 3.853 1.00 0.00 C ATOM 763 C LEU A 50 0.511 4.701 4.528 1.00 0.00 C ATOM 764 O LEU A 50 1.532 4.904 5.186 1.00 0.00 O ATOM 765 CB LEU A 50 0.427 3.495 2.338 1.00 0.00 C ATOM 766 CG LEU A 50 1.729 4.133 1.853 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.877 3.140 1.946 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.576 4.642 0.427 1.00 0.00 C ATOM 0 H LEU A 50 -1.675 2.736 3.377 1.00 0.00 H new ATOM 0 HA LEU A 50 1.013 2.646 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.342 2.505 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.407 4.087 1.961 1.00 0.00 H new ATOM 0 HG LEU A 50 1.957 4.982 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.795 3.612 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.002 2.825 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.657 2.271 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.513 5.093 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.324 3.811 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.782 5.388 0.390 1.00 0.00 H new ATOM 780 N TYR A 51 -0.436 5.617 4.361 1.00 0.00 N ATOM 781 CA TYR A 51 -0.328 6.945 4.954 1.00 0.00 C ATOM 782 C TYR A 51 0.033 6.853 6.433 1.00 0.00 C ATOM 783 O TYR A 51 1.086 7.328 6.858 1.00 0.00 O ATOM 784 CB TYR A 51 -1.641 7.710 4.783 1.00 0.00 C ATOM 785 CG TYR A 51 -1.735 8.950 5.644 1.00 0.00 C ATOM 786 CD1 TYR A 51 -2.188 8.877 6.955 1.00 0.00 C ATOM 787 CD2 TYR A 51 -1.369 10.195 5.146 1.00 0.00 C ATOM 788 CE1 TYR A 51 -2.276 10.007 7.745 1.00 0.00 C ATOM 789 CE2 TYR A 51 -1.453 11.330 5.928 1.00 0.00 C ATOM 790 CZ TYR A 51 -1.907 11.231 7.227 1.00 0.00 C ATOM 791 OH TYR A 51 -1.992 12.360 8.010 1.00 0.00 O ATOM 0 H TYR A 51 -1.287 5.465 3.820 1.00 0.00 H new ATOM 0 HA TYR A 51 0.467 7.483 4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.752 7.995 3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.472 7.047 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.477 7.920 7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.013 10.276 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.632 9.932 8.762 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.165 12.290 5.525 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.693 13.138 7.495 1.00 0.00 H new ATOM 801 N ASP A 52 -0.850 6.239 7.213 1.00 0.00 N ATOM 802 CA ASP A 52 -0.626 6.082 8.646 1.00 0.00 C ATOM 803 C ASP A 52 0.793 5.596 8.924 1.00 0.00 C ATOM 804 O ASP A 52 1.476 6.114 9.809 1.00 0.00 O ATOM 805 CB ASP A 52 -1.639 5.101 9.238 1.00 0.00 C ATOM 806 CG ASP A 52 -1.210 4.573 10.592 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.243 5.349 11.570 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.841 3.382 10.675 1.00 0.00 O ATOM 0 H ASP A 52 -1.728 5.842 6.877 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.757 7.056 9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.606 5.595 9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.775 4.265 8.552 1.00 0.00 H new ATOM 813 N LEU A 53 1.231 4.599 8.163 1.00 0.00 N ATOM 814 CA LEU A 53 2.570 4.042 8.328 1.00 0.00 C ATOM 815 C LEU A 53 3.636 5.103 8.074 1.00 0.00 C ATOM 816 O LEU A 53 4.621 5.197 8.808 1.00 0.00 O ATOM 817 CB LEU A 53 2.772 2.861 7.378 1.00 0.00 C ATOM 818 CG LEU A 53 4.119 2.144 7.477 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.075 1.071 8.554 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.501 1.538 6.134 1.00 0.00 C ATOM 0 H LEU A 53 0.679 4.160 7.426 1.00 0.00 H new ATOM 0 HA LEU A 53 2.669 3.694 9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.981 2.134 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.647 3.217 6.355 1.00 0.00 H new ATOM 0 HG LEU A 53 4.878 2.876 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.042 0.572 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.848 1.530 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.303 0.341 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.462 1.032 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.740 0.820 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.575 2.328 5.386 1.00 0.00 H new ATOM 832 N LEU A 54 3.433 5.901 7.032 1.00 0.00 N ATOM 833 CA LEU A 54 4.376 6.957 6.682 1.00 0.00 C ATOM 834 C LEU A 54 4.464 7.999 7.792 1.00 0.00 C ATOM 835 O LEU A 54 5.516 8.180 8.405 1.00 0.00 O ATOM 836 CB LEU A 54 3.958 7.627 5.371 1.00 0.00 C ATOM 837 CG LEU A 54 3.912 6.721 4.140 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.188 7.413 2.995 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.319 6.322 3.719 1.00 0.00 C ATOM 0 H LEU A 54 2.624 5.837 6.415 1.00 0.00 H new ATOM 0 HA LEU A 54 5.359 6.504 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.971 8.068 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.648 8.447 5.169 1.00 0.00 H new ATOM 0 HG LEU A 54 3.361 5.817 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.165 6.753 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.168 7.649 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.711 8.334 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.267 5.677 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.894 7.216 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.805 5.786 4.535 1.00 0.00 H new ATOM 851 N ARG A 55 3.351 8.679 8.048 1.00 0.00 N ATOM 852 CA ARG A 55 3.302 9.702 9.086 1.00 0.00 C ATOM 853 C ARG A 55 3.872 9.172 10.398 1.00 0.00 C ATOM 854 O ARG A 55 4.532 9.900 11.138 1.00 0.00 O ATOM 855 CB ARG A 55 1.863 10.176 9.297 1.00 0.00 C ATOM 856 CG ARG A 55 0.943 9.102 9.852 1.00 0.00 C ATOM 857 CD ARG A 55 -0.333 9.701 10.423 1.00 0.00 C ATOM 858 NE ARG A 55 -0.186 10.064 11.830 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.412 9.224 12.833 1.00 0.00 C ATOM 860 NH1 ARG A 55 -0.794 7.978 12.586 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.256 9.629 14.087 1.00 0.00 N ATOM 0 H ARG A 55 2.471 8.540 7.551 1.00 0.00 H new ATOM 0 HA ARG A 55 3.911 10.545 8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.866 11.027 9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.463 10.530 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.692 8.393 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.463 8.542 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.607 10.585 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.148 8.986 10.317 1.00 0.00 H new ATOM 0 HE ARG A 55 0.106 11.015 12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.915 7.663 11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.967 7.335 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.038 10.586 14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.430 8.983 14.857 1.00 0.00 H new ATOM 875 N ASN A 56 3.611 7.900 10.680 1.00 0.00 N ATOM 876 CA ASN A 56 4.097 7.273 11.904 1.00 0.00 C ATOM 877 C ASN A 56 5.600 7.483 12.063 1.00 0.00 C ATOM 878 O ASN A 56 6.100 7.639 13.176 1.00 0.00 O ATOM 879 CB ASN A 56 3.778 5.776 11.896 1.00 0.00 C ATOM 880 CG ASN A 56 4.122 5.105 13.212 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.256 4.679 13.426 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.140 5.008 14.101 1.00 0.00 N ATOM 0 H ASN A 56 3.066 7.283 10.078 1.00 0.00 H new ATOM 0 HA ASN A 56 3.591 7.741 12.748 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.718 5.634 11.685 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.331 5.294 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.311 4.566 15.004 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.214 5.376 13.881 1.00 0.00 H new ATOM 889 N ASN A 57 6.313 7.486 10.942 1.00 0.00 N ATOM 890 CA ASN A 57 7.759 7.678 10.957 1.00 0.00 C ATOM 891 C ASN A 57 8.111 9.153 11.124 1.00 0.00 C ATOM 892 O ASN A 57 7.236 10.018 11.093 1.00 0.00 O ATOM 893 CB ASN A 57 8.379 7.137 9.667 1.00 0.00 C ATOM 894 CG ASN A 57 9.895 7.129 9.713 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.494 6.753 10.720 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.522 7.546 8.619 1.00 0.00 N ATOM 0 H ASN A 57 5.914 7.358 10.012 1.00 0.00 H new ATOM 0 HA ASN A 57 8.165 7.128 11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.018 6.124 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.047 7.744 8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.541 7.563 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.984 7.849 7.807 1.00 0.00 H new ATOM 903 N SER A 58 9.398 9.432 11.301 1.00 0.00 N ATOM 904 CA SER A 58 9.866 10.802 11.477 1.00 0.00 C ATOM 905 C SER A 58 10.078 11.480 10.127 1.00 0.00 C ATOM 906 O SER A 58 9.602 12.591 9.897 1.00 0.00 O ATOM 907 CB SER A 58 11.169 10.819 12.280 1.00 0.00 C ATOM 908 OG SER A 58 10.919 10.630 13.661 1.00 0.00 O ATOM 0 H SER A 58 10.135 8.728 11.326 1.00 0.00 H new ATOM 0 HA SER A 58 9.103 11.354 12.026 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.834 10.035 11.917 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.682 11.768 12.127 1.00 0.00 H new ATOM 0 HG SER A 58 11.767 10.643 14.152 1.00 0.00 H new ATOM 914 N ASN A 59 10.797 10.803 9.238 1.00 0.00 N ATOM 915 CA ASN A 59 11.073 11.340 7.910 1.00 0.00 C ATOM 916 C ASN A 59 9.832 12.004 7.322 1.00 0.00 C ATOM 917 O ASN A 59 9.839 13.196 7.015 1.00 0.00 O ATOM 918 CB ASN A 59 11.560 10.228 6.979 1.00 0.00 C ATOM 919 CG ASN A 59 13.054 9.992 7.092 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.691 10.425 8.052 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.620 9.301 6.109 1.00 0.00 N ATOM 0 H ASN A 59 11.199 9.882 9.413 1.00 0.00 H new ATOM 0 HA ASN A 59 11.855 12.093 8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.030 9.304 7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.313 10.486 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.622 9.110 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.053 8.961 5.332 1.00 0.00 H new ATOM 928 N PHE A 60 8.767 11.224 7.170 1.00 0.00 N ATOM 929 CA PHE A 60 7.517 11.735 6.618 1.00 0.00 C ATOM 930 C PHE A 60 6.780 12.590 7.645 1.00 0.00 C ATOM 931 O PHE A 60 6.174 13.605 7.304 1.00 0.00 O ATOM 932 CB PHE A 60 6.624 10.579 6.164 1.00 0.00 C ATOM 933 CG PHE A 60 7.184 9.810 5.001 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.149 10.341 3.722 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.743 8.556 5.187 1.00 0.00 C ATOM 936 CE1 PHE A 60 7.664 9.637 2.650 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.259 7.848 4.119 1.00 0.00 C ATOM 938 CZ PHE A 60 8.218 8.388 2.848 1.00 0.00 C ATOM 0 H PHE A 60 8.744 10.236 7.421 1.00 0.00 H new ATOM 0 HA PHE A 60 7.757 12.358 5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.472 9.897 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.645 10.972 5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.714 11.316 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.776 8.127 6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.633 10.064 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.694 6.872 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.618 7.835 2.011 1.00 0.00 H new ATOM 948 N GLY A 61 6.835 12.170 8.905 1.00 0.00 N ATOM 949 CA GLY A 61 6.168 12.907 9.963 1.00 0.00 C ATOM 950 C GLY A 61 4.691 13.107 9.687 1.00 0.00 C ATOM 951 O GLY A 61 4.173 12.711 8.643 1.00 0.00 O ATOM 0 H GLY A 61 7.330 11.332 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.289 12.373 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.647 13.879 10.083 1.00 0.00 H new ATOM 955 N PRO A 62 3.986 13.732 10.642 1.00 0.00 N ATOM 956 CA PRO A 62 2.550 13.997 10.520 1.00 0.00 C ATOM 957 C PRO A 62 2.242 15.052 9.464 1.00 0.00 C ATOM 958 O PRO A 62 1.089 15.235 9.074 1.00 0.00 O ATOM 959 CB PRO A 62 2.164 14.504 11.912 1.00 0.00 C ATOM 960 CG PRO A 62 3.423 15.070 12.472 1.00 0.00 C ATOM 961 CD PRO A 62 4.538 14.230 11.913 1.00 0.00 C ATOM 0 HA PRO A 62 1.998 13.112 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.381 15.260 11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.782 13.696 12.536 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.541 16.116 12.187 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.416 15.035 13.561 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.443 14.817 11.756 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.801 13.413 12.585 1.00 0.00 H new ATOM 969 N GLU A 63 3.280 15.744 9.005 1.00 0.00 N ATOM 970 CA GLU A 63 3.119 16.782 7.994 1.00 0.00 C ATOM 971 C GLU A 63 2.611 16.190 6.683 1.00 0.00 C ATOM 972 O GLU A 63 1.806 16.803 5.982 1.00 0.00 O ATOM 973 CB GLU A 63 4.446 17.507 7.759 1.00 0.00 C ATOM 974 CG GLU A 63 4.948 18.267 8.975 1.00 0.00 C ATOM 975 CD GLU A 63 6.230 19.028 8.698 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.318 18.431 8.839 1.00 0.00 O ATOM 977 OE2 GLU A 63 6.145 20.222 8.342 1.00 0.00 O ATOM 0 H GLU A 63 4.241 15.605 9.317 1.00 0.00 H new ATOM 0 HA GLU A 63 2.382 17.498 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.200 16.779 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.328 18.204 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.179 18.966 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.115 17.567 9.793 1.00 0.00 H new ATOM 984 N VAL A 64 3.088 14.993 6.357 1.00 0.00 N ATOM 985 CA VAL A 64 2.683 14.316 5.131 1.00 0.00 C ATOM 986 C VAL A 64 1.166 14.183 5.051 1.00 0.00 C ATOM 987 O VAL A 64 0.518 13.759 6.008 1.00 0.00 O ATOM 988 CB VAL A 64 3.316 12.915 5.027 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.662 11.960 6.013 1.00 0.00 C ATOM 990 CG2 VAL A 64 3.206 12.385 3.605 1.00 0.00 C ATOM 0 H VAL A 64 3.756 14.472 6.925 1.00 0.00 H new ATOM 0 HA VAL A 64 3.035 14.928 4.301 1.00 0.00 H new ATOM 0 HB VAL A 64 4.373 12.993 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.122 10.976 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.798 12.335 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.597 11.884 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.658 11.395 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.156 12.321 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.725 13.059 2.924 1.00 0.00 H new ATOM 1000 N THR A 65 0.605 14.549 3.903 1.00 0.00 N ATOM 1001 CA THR A 65 -0.836 14.472 3.698 1.00 0.00 C ATOM 1002 C THR A 65 -1.184 13.462 2.611 1.00 0.00 C ATOM 1003 O THR A 65 -0.322 13.054 1.832 1.00 0.00 O ATOM 1004 CB THR A 65 -1.423 15.843 3.315 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.853 15.797 3.372 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.979 16.251 1.918 1.00 0.00 C ATOM 0 H THR A 65 1.127 14.902 3.101 1.00 0.00 H new ATOM 0 HA THR A 65 -1.272 14.149 4.643 1.00 0.00 H new ATOM 0 HB THR A 65 -1.055 16.582 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.218 16.673 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.406 17.223 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.109 16.314 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.321 15.509 1.196 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.450 13.062 2.564 1.00 0.00 N ATOM 1015 CA ARG A 66 -2.911 12.098 1.572 1.00 0.00 C ATOM 1016 C ARG A 66 -2.279 12.375 0.211 1.00 0.00 C ATOM 1017 O ARG A 66 -1.683 11.487 -0.398 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.436 12.142 1.457 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.050 10.829 1.000 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.436 11.038 0.411 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.457 11.171 1.447 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.612 11.801 1.263 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.892 12.352 0.090 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.490 11.881 2.255 1.00 0.00 N ATOM 0 H ARG A 66 -3.175 13.391 3.201 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.607 11.104 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.857 12.413 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.717 12.928 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.404 10.363 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.112 10.142 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.434 11.932 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.685 10.198 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.273 10.758 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.220 12.293 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.780 12.835 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.278 11.459 3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.377 12.365 2.113 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.415 13.611 -0.259 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.859 14.003 -1.548 1.00 0.00 C ATOM 1040 C GLN A 67 -0.548 13.272 -1.820 1.00 0.00 C ATOM 1041 O GLN A 67 -0.443 12.503 -2.776 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.632 15.515 -1.590 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.918 16.323 -1.638 1.00 0.00 C ATOM 1044 CD GLN A 67 -2.669 17.810 -1.796 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.988 18.602 -0.909 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -2.095 18.197 -2.929 1.00 0.00 N ATOM 0 H GLN A 67 -2.905 14.358 0.234 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.574 13.728 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.059 15.812 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.027 15.759 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.532 15.972 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.486 16.149 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.847 17.506 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.902 19.185 -3.091 1.00 0.00 H new ATOM 1055 N GLN A 68 0.447 13.518 -0.975 1.00 0.00 N ATOM 1056 CA GLN A 68 1.751 12.883 -1.127 1.00 0.00 C ATOM 1057 C GLN A 68 1.615 11.365 -1.181 1.00 0.00 C ATOM 1058 O GLN A 68 2.260 10.701 -1.993 1.00 0.00 O ATOM 1059 CB GLN A 68 2.674 13.283 0.026 1.00 0.00 C ATOM 1060 CG GLN A 68 3.086 14.746 -0.004 1.00 0.00 C ATOM 1061 CD GLN A 68 4.331 15.019 0.817 1.00 0.00 C ATOM 1062 OE1 GLN A 68 5.281 14.235 0.805 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.334 16.135 1.537 1.00 0.00 N ATOM 0 H GLN A 68 0.376 14.152 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 68 2.185 13.224 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.172 13.075 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.569 12.661 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.263 15.049 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.266 15.358 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.525 16.757 1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.145 16.371 2.109 1.00 0.00 H new ATOM 1072 N THR A 69 0.771 10.820 -0.311 1.00 0.00 N ATOM 1073 CA THR A 69 0.551 9.380 -0.258 1.00 0.00 C ATOM 1074 C THR A 69 0.128 8.839 -1.619 1.00 0.00 C ATOM 1075 O THR A 69 0.709 7.877 -2.122 1.00 0.00 O ATOM 1076 CB THR A 69 -0.523 9.014 0.783 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.178 9.566 2.059 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.669 7.504 0.902 1.00 0.00 C ATOM 0 H THR A 69 0.228 11.355 0.367 1.00 0.00 H new ATOM 0 HA THR A 69 1.498 8.926 0.033 1.00 0.00 H new ATOM 0 HB THR A 69 -1.474 9.431 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.073 8.843 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.433 7.270 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.960 7.089 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.282 7.070 1.211 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.885 9.463 -2.210 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.383 9.044 -3.514 1.00 0.00 C ATOM 1088 C ILE A 70 -0.271 9.058 -4.558 1.00 0.00 C ATOM 1089 O ILE A 70 -0.142 8.128 -5.353 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.534 9.947 -3.994 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.707 9.881 -3.013 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.981 9.540 -5.390 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.827 10.842 -3.345 1.00 0.00 C ATOM 0 H ILE A 70 -1.377 10.260 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.755 8.026 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.176 10.976 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.102 8.865 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.342 10.094 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.795 10.188 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.144 9.634 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.324 8.506 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.624 10.740 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.447 11.863 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.219 10.616 -4.337 1.00 0.00 H new ATOM 1105 N GLN A 71 0.529 10.119 -4.548 1.00 0.00 N ATOM 1106 CA GLN A 71 1.630 10.254 -5.493 1.00 0.00 C ATOM 1107 C GLN A 71 2.632 9.116 -5.328 1.00 0.00 C ATOM 1108 O GLN A 71 3.085 8.526 -6.309 1.00 0.00 O ATOM 1109 CB GLN A 71 2.333 11.599 -5.302 1.00 0.00 C ATOM 1110 CG GLN A 71 1.610 12.762 -5.962 1.00 0.00 C ATOM 1111 CD GLN A 71 2.538 13.914 -6.293 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.102 14.549 -5.400 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.703 14.191 -7.581 1.00 0.00 N ATOM 0 H GLN A 71 0.435 10.898 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 71 1.217 10.208 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.430 11.801 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.343 11.533 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.129 12.414 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.819 13.116 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.216 13.639 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.316 14.955 -7.864 1.00 0.00 H new ATOM 1122 N LEU A 72 2.974 8.812 -4.080 1.00 0.00 N ATOM 1123 CA LEU A 72 3.923 7.744 -3.785 1.00 0.00 C ATOM 1124 C LEU A 72 3.393 6.397 -4.266 1.00 0.00 C ATOM 1125 O LEU A 72 4.052 5.697 -5.036 1.00 0.00 O ATOM 1126 CB LEU A 72 4.206 7.687 -2.283 1.00 0.00 C ATOM 1127 CG LEU A 72 5.026 6.490 -1.800 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.397 6.481 -2.458 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.160 6.513 -0.284 1.00 0.00 C ATOM 0 H LEU A 72 2.608 9.290 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 72 4.851 7.959 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.729 8.600 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.253 7.687 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 72 4.503 5.577 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.966 5.622 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.281 6.416 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.928 7.398 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.746 5.654 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.660 7.432 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.170 6.470 0.169 1.00 0.00 H new ATOM 1141 N LEU A 73 2.198 6.040 -3.809 1.00 0.00 N ATOM 1142 CA LEU A 73 1.577 4.777 -4.194 1.00 0.00 C ATOM 1143 C LEU A 73 1.837 4.469 -5.665 1.00 0.00 C ATOM 1144 O LEU A 73 2.053 3.316 -6.039 1.00 0.00 O ATOM 1145 CB LEU A 73 0.071 4.825 -3.929 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.634 3.473 -3.821 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.305 2.804 -2.495 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.138 3.642 -3.975 1.00 0.00 C ATOM 0 H LEU A 73 1.639 6.607 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 73 2.020 3.984 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.098 5.375 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.401 5.395 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.276 2.833 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.816 1.843 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.771 2.648 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.635 3.441 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.623 2.669 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.512 4.300 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.357 4.078 -4.950 1.00 0.00 H new ATOM 1160 N ARG A 74 1.817 5.507 -6.494 1.00 0.00 N ATOM 1161 CA ARG A 74 2.052 5.347 -7.924 1.00 0.00 C ATOM 1162 C ARG A 74 3.383 4.647 -8.182 1.00 0.00 C ATOM 1163 O ARG A 74 3.433 3.603 -8.832 1.00 0.00 O ATOM 1164 CB ARG A 74 2.036 6.709 -8.621 1.00 0.00 C ATOM 1165 CG ARG A 74 0.712 7.444 -8.492 1.00 0.00 C ATOM 1166 CD ARG A 74 0.743 8.779 -9.219 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.583 9.181 -9.681 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.931 10.443 -9.907 1.00 0.00 C ATOM 1169 NH1 ARG A 74 -0.054 11.420 -9.717 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -2.157 10.730 -10.326 1.00 0.00 N ATOM 0 H ARG A 74 1.641 6.468 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 74 1.252 4.729 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.829 7.330 -8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.263 6.569 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.089 6.826 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.486 7.607 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.143 9.545 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.419 8.712 -10.071 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.280 8.453 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.890 11.203 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.323 12.388 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.833 9.981 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.423 11.699 -10.499 1.00 0.00 H new ATOM 1184 N LYS A 75 4.461 5.230 -7.668 1.00 0.00 N ATOM 1185 CA LYS A 75 5.794 4.663 -7.840 1.00 0.00 C ATOM 1186 C LYS A 75 5.765 3.147 -7.683 1.00 0.00 C ATOM 1187 O LYS A 75 6.154 2.411 -8.590 1.00 0.00 O ATOM 1188 CB LYS A 75 6.765 5.274 -6.827 1.00 0.00 C ATOM 1189 CG LYS A 75 7.465 6.523 -7.332 1.00 0.00 C ATOM 1190 CD LYS A 75 6.662 7.776 -7.022 1.00 0.00 C ATOM 1191 CE LYS A 75 7.534 9.021 -7.061 1.00 0.00 C ATOM 1192 NZ LYS A 75 6.753 10.234 -7.431 1.00 0.00 N ATOM 0 H LYS A 75 4.438 6.095 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 75 6.135 4.899 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.220 5.517 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.515 4.530 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.451 6.599 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.619 6.445 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.850 7.877 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.204 7.682 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.997 9.171 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.342 8.876 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.383 11.061 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.332 10.102 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.998 10.387 -6.732 1.00 0.00 H new ATOM 1206 N PHE A 76 5.300 2.685 -6.527 1.00 0.00 N ATOM 1207 CA PHE A 76 5.219 1.255 -6.251 1.00 0.00 C ATOM 1208 C PHE A 76 4.652 0.501 -7.450 1.00 0.00 C ATOM 1209 O PHE A 76 5.243 -0.470 -7.924 1.00 0.00 O ATOM 1210 CB PHE A 76 4.352 1.000 -5.016 1.00 0.00 C ATOM 1211 CG PHE A 76 4.981 1.469 -3.735 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.320 1.228 -3.477 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.232 2.151 -2.790 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.901 1.657 -2.298 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.807 2.583 -1.609 1.00 0.00 C ATOM 1216 CZ PHE A 76 6.144 2.336 -1.364 1.00 0.00 C ATOM 0 H PHE A 76 4.973 3.280 -5.766 1.00 0.00 H new ATOM 0 HA PHE A 76 6.228 0.890 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.393 1.501 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.146 -0.068 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.917 0.699 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.187 2.348 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.946 1.461 -2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.212 3.112 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.596 2.674 -0.443 1.00 0.00 H new ATOM 1226 N LEU A 77 3.501 0.955 -7.936 1.00 0.00 N ATOM 1227 CA LEU A 77 2.852 0.324 -9.079 1.00 0.00 C ATOM 1228 C LEU A 77 3.804 0.239 -10.268 1.00 0.00 C ATOM 1229 O LEU A 77 3.838 -0.764 -10.980 1.00 0.00 O ATOM 1230 CB LEU A 77 1.596 1.104 -9.472 1.00 0.00 C ATOM 1231 CG LEU A 77 1.074 0.867 -10.890 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.588 -0.566 -11.047 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.040 1.849 -11.219 1.00 0.00 C ATOM 0 H LEU A 77 2.999 1.757 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 77 2.569 -0.688 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.802 0.854 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.802 2.168 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 77 1.893 1.030 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.220 -0.716 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.412 -1.253 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.217 -0.757 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.399 1.666 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.861 1.718 -10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.340 2.868 -11.148 1.00 0.00 H new ATOM 1245 N LYS A 78 4.578 1.299 -10.476 1.00 0.00 N ATOM 1246 CA LYS A 78 5.534 1.345 -11.576 1.00 0.00 C ATOM 1247 C LYS A 78 6.749 0.471 -11.278 1.00 0.00 C ATOM 1248 O LYS A 78 7.365 -0.082 -12.187 1.00 0.00 O ATOM 1249 CB LYS A 78 5.980 2.786 -11.832 1.00 0.00 C ATOM 1250 CG LYS A 78 7.184 2.897 -12.751 1.00 0.00 C ATOM 1251 CD LYS A 78 7.261 4.266 -13.407 1.00 0.00 C ATOM 1252 CE LYS A 78 7.673 5.338 -12.410 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.400 6.458 -13.069 1.00 0.00 N ATOM 0 H LYS A 78 4.562 2.138 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 78 5.041 0.960 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.150 3.342 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.216 3.259 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.095 2.714 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.128 2.127 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.976 4.237 -14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.292 4.520 -13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.787 5.726 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.307 4.895 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.664 7.168 -12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.259 6.092 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.786 6.897 -13.784 1.00 0.00 H new ATOM 1267 N ASN A 79 7.086 0.351 -9.998 1.00 0.00 N ATOM 1268 CA ASN A 79 8.226 -0.456 -9.580 1.00 0.00 C ATOM 1269 C ASN A 79 7.851 -1.933 -9.511 1.00 0.00 C ATOM 1270 O ASN A 79 8.574 -2.742 -8.929 1.00 0.00 O ATOM 1271 CB ASN A 79 8.740 0.015 -8.218 1.00 0.00 C ATOM 1272 CG ASN A 79 9.578 1.275 -8.321 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.792 1.212 -8.520 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.933 2.427 -8.185 1.00 0.00 N ATOM 0 H ASN A 79 6.586 0.803 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 79 9.016 -0.334 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.893 0.198 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.334 -0.777 -7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.444 3.308 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.926 2.432 -8.021 1.00 0.00 H new ATOM 1281 N HIS A 80 6.715 -2.278 -10.111 1.00 0.00 N ATOM 1282 CA HIS A 80 6.244 -3.658 -10.119 1.00 0.00 C ATOM 1283 C HIS A 80 6.055 -4.176 -8.696 1.00 0.00 C ATOM 1284 O HIS A 80 6.241 -5.363 -8.426 1.00 0.00 O ATOM 1285 CB HIS A 80 7.230 -4.552 -10.872 1.00 0.00 C ATOM 1286 CG HIS A 80 6.634 -5.847 -11.331 1.00 0.00 C ATOM 1287 ND1 HIS A 80 7.393 -6.910 -11.774 1.00 0.00 N ATOM 1288 CD2 HIS A 80 5.344 -6.249 -11.412 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.596 -7.908 -12.109 1.00 0.00 C ATOM 1290 NE2 HIS A 80 5.347 -7.533 -11.899 1.00 0.00 N ATOM 0 H HIS A 80 6.105 -1.621 -10.597 1.00 0.00 H new ATOM 0 HA HIS A 80 5.280 -3.684 -10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.611 -4.010 -11.737 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.083 -4.762 -10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.474 -5.668 -11.144 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.912 -8.868 -12.490 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.519 -8.104 -12.071 1.00 0.00 H new ATOM 1298 N VAL A 81 5.683 -3.278 -7.789 1.00 0.00 N ATOM 1299 CA VAL A 81 5.468 -3.644 -6.394 1.00 0.00 C ATOM 1300 C VAL A 81 4.033 -4.100 -6.161 1.00 0.00 C ATOM 1301 O VAL A 81 3.775 -4.972 -5.330 1.00 0.00 O ATOM 1302 CB VAL A 81 5.781 -2.467 -5.451 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.584 -2.879 -4.000 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.198 -1.962 -5.682 1.00 0.00 C ATOM 0 H VAL A 81 5.524 -2.292 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 81 6.148 -4.467 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 81 5.089 -1.654 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.810 -2.035 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.550 -3.189 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.251 -3.708 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.402 -1.130 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.907 -2.767 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.301 -1.626 -6.714 1.00 0.00 H new ATOM 1314 N ILE A 82 3.101 -3.505 -6.898 1.00 0.00 N ATOM 1315 CA ILE A 82 1.691 -3.852 -6.773 1.00 0.00 C ATOM 1316 C ILE A 82 1.013 -3.900 -8.138 1.00 0.00 C ATOM 1317 O ILE A 82 0.970 -2.902 -8.856 1.00 0.00 O ATOM 1318 CB ILE A 82 0.943 -2.849 -5.875 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.283 -1.414 -6.282 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.288 -3.087 -4.413 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.254 -0.399 -5.837 1.00 0.00 C ATOM 0 H ILE A 82 3.297 -2.780 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 82 1.648 -4.840 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.129 -2.998 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.252 -1.146 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.383 -1.367 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.752 -2.370 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.999 -4.100 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.361 -2.962 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.561 0.596 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.712 -0.642 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.171 -0.418 -4.750 1.00 0.00 H new ATOM 1333 N GLU A 83 0.483 -5.068 -8.488 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.195 -5.245 -9.767 1.00 0.00 C ATOM 1335 C GLU A 83 -1.701 -5.057 -9.616 1.00 0.00 C ATOM 1336 O GLU A 83 -2.264 -5.300 -8.548 1.00 0.00 O ATOM 1337 CB GLU A 83 0.102 -6.633 -10.339 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.770 -7.731 -9.755 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.358 -9.114 -10.222 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.372 -9.354 -11.447 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.023 -9.956 -9.362 1.00 0.00 O ATOM 0 H GLU A 83 0.510 -5.904 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 83 0.180 -4.488 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.035 -6.608 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.149 -6.876 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.720 -7.689 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.808 -7.552 -10.034 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.349 -4.623 -10.692 1.00 0.00 N ATOM 1349 CA ASP A 84 -3.790 -4.403 -10.680 1.00 0.00 C ATOM 1350 C ASP A 84 -4.542 -5.715 -10.878 1.00 0.00 C ATOM 1351 O ASP A 84 -3.987 -6.689 -11.388 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.184 -3.404 -11.770 1.00 0.00 C ATOM 1353 CG ASP A 84 -3.574 -2.034 -11.547 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.393 -1.968 -11.147 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.278 -1.028 -11.774 1.00 0.00 O ATOM 0 H ASP A 84 -1.899 -4.417 -11.584 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.062 -3.993 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.867 -3.786 -12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.270 -3.314 -11.801 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.807 -5.733 -10.473 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.635 -6.926 -10.606 1.00 0.00 C ATOM 1362 C ILE A 85 -6.428 -7.589 -11.964 1.00 0.00 C ATOM 1363 O ILE A 85 -6.623 -8.795 -12.115 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.129 -6.597 -10.431 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -8.966 -7.876 -10.496 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.582 -5.606 -11.493 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.182 -7.848 -9.597 1.00 0.00 C ATOM 0 H ILE A 85 -6.281 -4.935 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.328 -7.613 -9.817 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.273 -6.140 -9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.288 -8.038 -11.525 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.340 -8.725 -10.221 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.640 -5.384 -11.356 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.003 -4.687 -11.403 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.427 -6.037 -12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.728 -8.786 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.866 -7.717 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.829 -7.020 -9.886 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.029 -6.793 -12.950 1.00 0.00 N ATOM 1380 CA LYS A 86 -5.792 -7.301 -14.296 1.00 0.00 C ATOM 1381 C LYS A 86 -4.344 -7.752 -14.460 1.00 0.00 C ATOM 1382 O LYS A 86 -4.075 -8.818 -15.012 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.123 -6.228 -15.335 1.00 0.00 C ATOM 1384 CG LYS A 86 -7.610 -6.093 -15.618 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.044 -6.997 -16.760 1.00 0.00 C ATOM 1386 CE LYS A 86 -8.002 -6.267 -18.094 1.00 0.00 C ATOM 1387 NZ LYS A 86 -6.692 -6.440 -18.780 1.00 0.00 N ATOM 0 H LYS A 86 -5.863 -5.792 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.443 -8.161 -14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.739 -5.268 -14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.605 -6.462 -16.265 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.176 -6.342 -14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.842 -5.057 -15.864 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.394 -7.871 -16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.055 -7.360 -16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.800 -6.639 -18.737 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.190 -5.206 -17.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.781 -6.154 -19.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.975 -5.849 -18.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.404 -7.438 -18.731 1.00 0.00 H new ATOM 1401 N GLY A 87 -3.415 -6.934 -13.974 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.007 -7.268 -14.076 1.00 0.00 C ATOM 1403 C GLY A 87 -1.192 -6.156 -14.707 1.00 0.00 C ATOM 1404 O GLY A 87 -0.371 -6.403 -15.591 1.00 0.00 O ATOM 0 H GLY A 87 -3.613 -6.047 -13.512 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.615 -7.483 -13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.894 -8.177 -14.667 1.00 0.00 H new ATOM 1408 N ARG A 88 -1.419 -4.927 -14.253 1.00 0.00 N ATOM 1409 CA ARG A 88 -0.701 -3.773 -14.781 1.00 0.00 C ATOM 1410 C ARG A 88 0.357 -3.292 -13.792 1.00 0.00 C ATOM 1411 O ARG A 88 0.040 -2.921 -12.662 1.00 0.00 O ATOM 1412 CB ARG A 88 -1.678 -2.638 -15.093 1.00 0.00 C ATOM 1413 CG ARG A 88 -2.311 -2.740 -16.471 1.00 0.00 C ATOM 1414 CD ARG A 88 -1.295 -2.479 -17.571 1.00 0.00 C ATOM 1415 NE ARG A 88 -1.229 -1.064 -17.930 1.00 0.00 N ATOM 1416 CZ ARG A 88 -2.047 -0.489 -18.804 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -2.988 -1.203 -19.406 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -1.924 0.804 -19.078 1.00 0.00 N ATOM 0 H ARG A 88 -2.094 -4.705 -13.521 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.201 -4.076 -15.701 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.466 -2.631 -14.340 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.153 -1.686 -15.013 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.743 -3.732 -16.601 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.128 -2.023 -16.551 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.312 -2.816 -17.244 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.556 -3.065 -18.452 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.516 -0.486 -17.485 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.085 -2.197 -19.198 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.615 -0.758 -20.077 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.201 1.356 -18.617 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.553 1.245 -19.749 1.00 0.00 H new ATOM 1432 N TRP A 89 1.612 -3.301 -14.226 1.00 0.00 N ATOM 1433 CA TRP A 89 2.716 -2.866 -13.378 1.00 0.00 C ATOM 1434 C TRP A 89 3.421 -1.655 -13.981 1.00 0.00 C ATOM 1435 O TRP A 89 4.540 -1.321 -13.595 1.00 0.00 O ATOM 1436 CB TRP A 89 3.715 -4.007 -13.181 1.00 0.00 C ATOM 1437 CG TRP A 89 4.442 -4.384 -14.437 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.954 -5.123 -15.476 1.00 0.00 C ATOM 1439 CD2 TRP A 89 5.788 -4.040 -14.783 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.916 -5.260 -16.448 1.00 0.00 N ATOM 1441 CE2 TRP A 89 6.050 -4.604 -16.047 1.00 0.00 C ATOM 1442 CE3 TRP A 89 6.797 -3.309 -14.151 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 7.278 -4.460 -16.687 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 8.016 -3.167 -14.786 1.00 0.00 C ATOM 1445 CH2 TRP A 89 8.248 -3.739 -16.044 1.00 0.00 C ATOM 0 H TRP A 89 1.891 -3.604 -15.159 1.00 0.00 H new ATOM 0 HA TRP A 89 2.306 -2.580 -12.409 1.00 0.00 H new ATOM 0 HB2 TRP A 89 4.442 -3.717 -12.422 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.187 -4.881 -12.799 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.959 -5.539 -15.527 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.804 -5.768 -17.326 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.627 -2.862 -13.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.459 -4.901 -17.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 8.803 -2.606 -14.305 1.00 0.00 H new ATOM 0 HH2 TRP A 89 9.211 -3.609 -16.516 1.00 0.00 H new ATOM 1456 N GLY A 90 2.757 -1.002 -14.930 1.00 0.00 N ATOM 1457 CA GLY A 90 3.336 0.165 -15.570 1.00 0.00 C ATOM 1458 C GLY A 90 2.291 1.189 -15.963 1.00 0.00 C ATOM 1459 O GLY A 90 2.233 1.617 -17.116 1.00 0.00 O ATOM 0 H GLY A 90 1.829 -1.260 -15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.056 0.626 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.886 -0.147 -16.458 1.00 0.00 H new ATOM 1463 N SER A 91 1.460 1.584 -15.003 1.00 0.00 N ATOM 1464 CA SER A 91 0.408 2.560 -15.256 1.00 0.00 C ATOM 1465 C SER A 91 0.701 3.874 -14.537 1.00 0.00 C ATOM 1466 O SER A 91 0.294 4.944 -14.988 1.00 0.00 O ATOM 1467 CB SER A 91 -0.947 2.010 -14.805 1.00 0.00 C ATOM 1468 OG SER A 91 -2.000 2.542 -15.590 1.00 0.00 O ATOM 0 H SER A 91 1.496 1.242 -14.043 1.00 0.00 H new ATOM 0 HA SER A 91 0.375 2.752 -16.328 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.945 0.923 -14.882 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.112 2.255 -13.756 1.00 0.00 H new ATOM 0 HG SER A 91 -2.855 2.174 -15.283 1.00 0.00 H new ATOM 1474 N GLU A 92 1.411 3.782 -13.417 1.00 0.00 N ATOM 1475 CA GLU A 92 1.759 4.963 -12.635 1.00 0.00 C ATOM 1476 C GLU A 92 0.532 5.839 -12.399 1.00 0.00 C ATOM 1477 O GLU A 92 0.637 7.062 -12.313 1.00 0.00 O ATOM 1478 CB GLU A 92 2.847 5.771 -13.346 1.00 0.00 C ATOM 1479 CG GLU A 92 2.376 6.422 -14.636 1.00 0.00 C ATOM 1480 CD GLU A 92 3.306 7.524 -15.106 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.454 7.211 -15.485 1.00 0.00 O ATOM 1482 OE2 GLU A 92 2.885 8.699 -15.094 1.00 0.00 O ATOM 0 H GLU A 92 1.756 2.903 -13.031 1.00 0.00 H new ATOM 0 HA GLU A 92 2.138 4.629 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.213 6.545 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.689 5.115 -13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.296 5.663 -15.414 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.377 6.833 -14.488 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.631 5.204 -12.295 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.878 5.925 -12.070 1.00 0.00 C ATOM 1491 C ASN A 93 -2.732 5.220 -11.021 1.00 0.00 C ATOM 1492 O ASN A 93 -3.338 4.182 -11.292 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.661 6.053 -13.378 1.00 0.00 C ATOM 1494 CG ASN A 93 -4.124 6.382 -13.148 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.510 7.550 -13.111 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.944 5.350 -12.990 1.00 0.00 N ATOM 0 H ASN A 93 -0.736 4.192 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.631 6.921 -11.703 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.209 6.831 -13.994 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.585 5.120 -13.936 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.939 5.509 -12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.579 4.398 -13.028 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.777 5.790 -9.821 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.557 5.218 -8.730 1.00 0.00 C ATOM 1505 C VAL A 94 -4.200 6.310 -7.883 1.00 0.00 C ATOM 1506 O VAL A 94 -3.782 7.467 -7.922 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.687 4.326 -7.825 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.259 3.069 -8.567 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.476 5.098 -7.323 1.00 0.00 C ATOM 0 H VAL A 94 -2.282 6.648 -9.580 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.338 4.608 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.280 4.025 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.645 2.451 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.142 2.508 -8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.682 3.346 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.872 4.453 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.879 5.430 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.808 5.965 -6.752 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.218 5.934 -7.117 1.00 0.00 N ATOM 1520 CA ASP A 95 -5.919 6.881 -6.258 1.00 0.00 C ATOM 1521 C ASP A 95 -6.756 6.150 -5.213 1.00 0.00 C ATOM 1522 O ASP A 95 -6.808 4.920 -5.194 1.00 0.00 O ATOM 1523 CB ASP A 95 -6.813 7.798 -7.095 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.235 9.042 -6.339 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.345 9.797 -5.893 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -8.456 9.262 -6.194 1.00 0.00 O ATOM 0 H ASP A 95 -5.576 4.980 -7.073 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.173 7.486 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.282 8.090 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.700 7.248 -7.408 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.409 6.915 -4.345 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.244 6.341 -3.296 1.00 0.00 C ATOM 1533 C ASP A 96 -9.553 5.810 -3.873 1.00 0.00 C ATOM 1534 O ASP A 96 -10.436 5.374 -3.136 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.535 7.385 -2.217 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.469 8.476 -2.703 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.603 8.148 -3.109 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.065 9.657 -2.678 1.00 0.00 O ATOM 0 H ASP A 96 -7.376 7.934 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.701 5.509 -2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.976 6.893 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.598 7.833 -1.887 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.669 5.851 -5.197 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.871 5.375 -5.873 1.00 0.00 C ATOM 1545 C ASN A 97 -11.191 3.939 -5.468 1.00 0.00 C ATOM 1546 O ASN A 97 -10.464 3.328 -4.687 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.696 5.462 -7.390 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.281 6.848 -7.846 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -10.700 7.853 -7.272 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -9.454 6.907 -8.883 1.00 0.00 N ATOM 0 H ASN A 97 -8.946 6.208 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.703 6.012 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.946 4.738 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.632 5.187 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.141 7.812 -9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.132 6.048 -9.328 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.284 3.408 -6.006 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.700 2.044 -5.702 1.00 0.00 C ATOM 1559 C ASN A 98 -11.913 1.036 -6.534 1.00 0.00 C ATOM 1560 O ASN A 98 -12.301 -0.126 -6.648 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.199 1.876 -5.961 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.494 1.433 -7.380 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.262 0.497 -7.603 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -13.883 2.105 -8.349 1.00 0.00 N ATOM 0 H ASN A 98 -12.897 3.901 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.496 1.856 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.606 1.144 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.707 2.820 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.042 1.852 -9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.254 2.874 -8.118 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.806 1.490 -7.111 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.964 0.628 -7.932 1.00 0.00 C ATOM 1573 C GLN A 99 -9.253 -0.414 -7.076 1.00 0.00 C ATOM 1574 O GLN A 99 -8.497 -0.073 -6.165 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.937 1.463 -8.699 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.554 2.371 -9.751 1.00 0.00 C ATOM 1577 CD GLN A 99 -9.667 1.700 -11.106 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.709 1.670 -11.879 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -10.843 1.158 -11.402 1.00 0.00 N ATOM 0 H GLN A 99 -10.471 2.450 -7.025 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.605 0.109 -8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.374 2.071 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.224 0.794 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.545 2.683 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.950 3.274 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.610 1.206 -10.731 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.979 0.694 -12.300 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.499 -1.685 -7.373 1.00 0.00 N ATOM 1589 CA LEU A 100 -8.882 -2.778 -6.630 1.00 0.00 C ATOM 1590 C LEU A 100 -7.419 -2.948 -7.026 1.00 0.00 C ATOM 1591 O LEU A 100 -6.974 -2.413 -8.041 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.644 -4.082 -6.875 1.00 0.00 C ATOM 1593 CG LEU A 100 -10.950 -4.252 -6.098 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -11.773 -5.390 -6.681 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -10.665 -4.498 -4.624 1.00 0.00 C ATOM 0 H LEU A 100 -10.122 -1.984 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.926 -2.533 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.866 -4.155 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.987 -4.916 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.526 -3.331 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.699 -5.496 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.007 -5.173 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.204 -6.318 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.606 -4.617 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.068 -5.403 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.117 -3.650 -4.213 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.676 -3.699 -6.219 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.263 -3.941 -6.487 1.00 0.00 C ATOM 1609 C PHE A 101 -4.797 -5.231 -5.818 1.00 0.00 C ATOM 1610 O PHE A 101 -5.460 -5.754 -4.922 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.420 -2.764 -5.993 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.478 -1.565 -6.895 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.668 -1.486 -8.017 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.343 -0.518 -6.623 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.718 -0.383 -8.848 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.399 0.588 -7.451 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.586 0.654 -8.566 1.00 0.00 C ATOM 0 H PHE A 101 -7.029 -4.150 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.135 -4.044 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.759 -2.477 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.383 -3.086 -5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.990 -2.296 -8.244 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.982 -0.566 -5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.079 -0.332 -9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.077 1.398 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.629 1.515 -9.216 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.652 -5.740 -6.261 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.097 -6.970 -5.708 1.00 0.00 C ATOM 1629 C ARG A 102 -1.573 -6.961 -5.784 1.00 0.00 C ATOM 1630 O ARG A 102 -0.976 -6.065 -6.382 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.649 -8.185 -6.456 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.044 -8.376 -7.837 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.075 -8.887 -8.831 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.484 -9.783 -9.821 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.171 -10.716 -10.471 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.467 -10.874 -10.237 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.563 -11.493 -11.358 1.00 0.00 N ATOM 0 H ARG A 102 -3.090 -5.320 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.391 -7.033 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.467 -9.080 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.730 -8.081 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.634 -7.430 -8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.214 -9.080 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.867 -9.411 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.539 -8.041 -9.339 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.489 -9.687 -10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.939 -10.278 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.992 -11.591 -10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.567 -11.375 -11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.092 -12.209 -11.856 1.00 0.00 H new ATOM 1651 N PHE A 103 -0.950 -7.964 -5.175 1.00 0.00 N ATOM 1652 CA PHE A 103 0.505 -8.071 -5.172 1.00 0.00 C ATOM 1653 C PHE A 103 0.967 -9.222 -6.061 1.00 0.00 C ATOM 1654 O PHE A 103 0.359 -10.291 -6.101 1.00 0.00 O ATOM 1655 CB PHE A 103 1.020 -8.275 -3.746 1.00 0.00 C ATOM 1656 CG PHE A 103 2.387 -7.698 -3.514 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.541 -6.372 -3.144 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.519 -8.483 -3.667 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.798 -5.839 -2.929 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.778 -7.955 -3.453 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.918 -6.631 -3.085 1.00 0.00 C ATOM 0 H PHE A 103 -1.429 -8.714 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 103 0.914 -7.142 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.319 -7.820 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.043 -9.342 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.669 -5.747 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.416 -9.518 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.904 -4.804 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.652 -8.577 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.901 -6.216 -2.920 1.00 0.00 H new ATOM 1671 N PRO A 104 2.069 -8.998 -6.793 1.00 0.00 N ATOM 1672 CA PRO A 104 2.638 -10.003 -7.695 1.00 0.00 C ATOM 1673 C PRO A 104 3.257 -11.175 -6.940 1.00 0.00 C ATOM 1674 O PRO A 104 3.750 -11.015 -5.824 1.00 0.00 O ATOM 1675 CB PRO A 104 3.715 -9.228 -8.456 1.00 0.00 C ATOM 1676 CG PRO A 104 4.095 -8.113 -7.544 1.00 0.00 C ATOM 1677 CD PRO A 104 2.844 -7.746 -6.795 1.00 0.00 C ATOM 0 HA PRO A 104 1.880 -10.449 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.572 -9.862 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.335 -8.851 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.884 -8.421 -6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.477 -7.261 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.066 -7.409 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.302 -6.939 -7.288 1.00 0.00 H new ATOM 1685 N ALA A 105 3.229 -12.352 -7.558 1.00 0.00 N ATOM 1686 CA ALA A 105 3.791 -13.549 -6.945 1.00 0.00 C ATOM 1687 C ALA A 105 5.033 -14.018 -7.694 1.00 0.00 C ATOM 1688 O ALA A 105 5.023 -14.137 -8.920 1.00 0.00 O ATOM 1689 CB ALA A 105 2.749 -14.657 -6.901 1.00 0.00 C ATOM 0 H ALA A 105 2.823 -12.501 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 105 4.086 -13.301 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.182 -15.545 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.891 -14.326 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.427 -14.894 -7.915 1.00 0.00 H new TER 1695 ALA A 105