USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -23:sc= 1.04 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.85 K(o=1.9,f=-5.9!) USER MOD Single : A 30 SER OG : rot -131:sc= 0.58 USER MOD Single : A 33 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 LYS NZ :NH3+ -169:sc=-0.00213 (180deg=-0.145) USER MOD Single : A 42 THR OG1 : rot 150:sc= 0.0801 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 168:sc= 0 (180deg=-0.131) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.13) USER MOD Single : A 65 SER OG : rot -23:sc= 0.907 USER MOD Single : A 67 THR OG1 : rot -71:sc= 1.41 USER MOD Single : A 68 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= -0.147 (180deg=-1.12) USER MOD Single : A 74 THR OG1 : rot 159:sc= 0.701 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.29) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.194! C(o=-0.19!,f=-11!) USER MOD Single : A 95 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= 0.581 K(o=0.58,f=-3.7!) USER MOD Single : A 101 SER OG : rot 160:sc= 0.556 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0797 K(o=-0.08,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -13.182 -21.750 -18.604 1.00 0.00 N ATOM 2 CA GLY A 29 -14.615 -21.586 -18.772 1.00 0.00 C ATOM 3 C GLY A 29 -15.022 -21.498 -20.229 1.00 0.00 C ATOM 4 O GLY A 29 -15.300 -22.516 -20.866 1.00 0.00 O ATOM 0 HA2 GLY A 29 -15.131 -22.425 -18.304 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.938 -20.683 -18.253 1.00 0.00 H new ATOM 10 N SER A 30 -15.058 -20.281 -20.759 1.00 0.00 N ATOM 11 CA SER A 30 -15.338 -20.071 -22.176 1.00 0.00 C ATOM 12 C SER A 30 -14.048 -20.088 -22.991 1.00 0.00 C ATOM 13 O SER A 30 -13.040 -20.646 -22.562 1.00 0.00 O ATOM 14 CB SER A 30 -16.076 -18.762 -22.376 1.00 0.00 C ATOM 15 OG SER A 30 -16.481 -18.584 -23.706 1.00 0.00 O ATOM 0 H SER A 30 -14.897 -19.424 -20.230 1.00 0.00 H new ATOM 0 HA SER A 30 -15.971 -20.886 -22.527 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.950 -18.735 -21.725 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.432 -17.934 -22.079 1.00 0.00 H new ATOM 0 HG SER A 30 -16.221 -17.690 -24.010 1.00 0.00 H new ATOM 21 N GLU A 31 -14.091 -19.471 -24.168 1.00 0.00 N ATOM 22 CA GLU A 31 -12.997 -19.578 -25.124 1.00 0.00 C ATOM 23 C GLU A 31 -11.865 -18.618 -24.770 1.00 0.00 C ATOM 24 O GLU A 31 -11.154 -18.819 -23.787 1.00 0.00 O ATOM 25 CB GLU A 31 -13.498 -19.302 -26.544 1.00 0.00 C ATOM 26 CG GLU A 31 -14.475 -20.340 -27.079 1.00 0.00 C ATOM 27 CD GLU A 31 -14.986 -19.959 -28.440 1.00 0.00 C ATOM 28 OE1 GLU A 31 -14.628 -18.908 -28.915 1.00 0.00 O ATOM 29 OE2 GLU A 31 -15.644 -20.767 -29.054 1.00 0.00 O ATOM 0 H GLU A 31 -14.871 -18.893 -24.481 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.609 -20.596 -25.079 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.979 -18.324 -26.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.641 -19.248 -27.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.984 -21.312 -27.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.313 -20.443 -26.389 1.00 0.00 H new ATOM 36 N GLU A 32 -11.704 -17.577 -25.579 1.00 0.00 N ATOM 37 CA GLU A 32 -10.422 -16.890 -25.694 1.00 0.00 C ATOM 38 C GLU A 32 -10.162 -16.018 -24.469 1.00 0.00 C ATOM 39 O GLU A 32 -9.046 -15.969 -23.953 1.00 0.00 O ATOM 40 CB GLU A 32 -10.379 -16.041 -26.967 1.00 0.00 C ATOM 41 CG GLU A 32 -10.356 -16.846 -28.260 1.00 0.00 C ATOM 42 CD GLU A 32 -10.387 -15.946 -29.464 1.00 0.00 C ATOM 43 OE1 GLU A 32 -10.475 -14.753 -29.289 1.00 0.00 O ATOM 44 OE2 GLU A 32 -10.211 -16.438 -30.552 1.00 0.00 O ATOM 0 H GLU A 32 -12.444 -17.190 -26.165 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.638 -17.645 -25.752 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.247 -15.382 -26.979 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.495 -15.404 -26.934 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.460 -17.466 -28.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.211 -17.521 -28.286 1.00 0.00 H new ATOM 51 N LYS A 33 -11.201 -15.331 -24.009 1.00 0.00 N ATOM 52 CA LYS A 33 -11.031 -14.072 -23.294 1.00 0.00 C ATOM 53 C LYS A 33 -9.999 -14.214 -22.179 1.00 0.00 C ATOM 54 O LYS A 33 -9.694 -15.323 -21.743 1.00 0.00 O ATOM 55 CB LYS A 33 -12.366 -13.594 -22.720 1.00 0.00 C ATOM 56 CG LYS A 33 -13.392 -13.190 -23.770 1.00 0.00 C ATOM 57 CD LYS A 33 -14.694 -12.736 -23.126 1.00 0.00 C ATOM 58 CE LYS A 33 -15.709 -12.299 -24.172 1.00 0.00 C ATOM 59 NZ LYS A 33 -16.997 -11.883 -23.559 1.00 0.00 N ATOM 0 H LYS A 33 -12.171 -15.625 -24.119 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.670 -13.328 -24.004 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.788 -14.388 -22.104 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.182 -12.744 -22.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.988 -12.386 -24.385 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.587 -14.032 -24.434 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.110 -13.549 -22.531 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.495 -11.910 -22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.299 -11.471 -24.751 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.887 -13.118 -24.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.660 -11.593 -24.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.402 -12.680 -23.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.832 -11.084 -22.914 1.00 0.00 H new ATOM 73 N GLU A 34 -9.468 -13.085 -21.721 1.00 0.00 N ATOM 74 CA GLU A 34 -8.216 -13.076 -20.975 1.00 0.00 C ATOM 75 C GLU A 34 -8.452 -13.439 -19.512 1.00 0.00 C ATOM 76 O GLU A 34 -9.568 -13.776 -19.118 1.00 0.00 O ATOM 77 CB GLU A 34 -7.539 -11.708 -21.077 1.00 0.00 C ATOM 78 CG GLU A 34 -7.108 -11.323 -22.487 1.00 0.00 C ATOM 79 CD GLU A 34 -6.493 -9.952 -22.514 1.00 0.00 C ATOM 80 OE1 GLU A 34 -6.456 -9.317 -21.488 1.00 0.00 O ATOM 81 OE2 GLU A 34 -5.957 -9.584 -23.533 1.00 0.00 O ATOM 0 H GLU A 34 -9.886 -12.164 -21.854 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.557 -13.826 -21.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.223 -10.948 -20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.664 -11.700 -20.428 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.391 -12.053 -22.863 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.970 -11.351 -23.154 1.00 0.00 H new ATOM 88 N GLU A 35 -7.393 -13.368 -18.713 1.00 0.00 N ATOM 89 CA GLU A 35 -7.474 -13.736 -17.303 1.00 0.00 C ATOM 90 C GLU A 35 -7.980 -12.567 -16.462 1.00 0.00 C ATOM 91 O GLU A 35 -8.454 -12.752 -15.343 1.00 0.00 O ATOM 92 CB GLU A 35 -6.110 -14.205 -16.791 1.00 0.00 C ATOM 93 CG GLU A 35 -5.609 -15.495 -17.426 1.00 0.00 C ATOM 94 CD GLU A 35 -4.259 -15.879 -16.888 1.00 0.00 C ATOM 95 OE1 GLU A 35 -3.764 -15.189 -16.030 1.00 0.00 O ATOM 96 OE2 GLU A 35 -3.772 -16.924 -17.253 1.00 0.00 O ATOM 0 H GLU A 35 -6.469 -13.060 -19.016 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.184 -14.558 -17.210 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.378 -13.418 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.169 -14.345 -15.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.321 -16.298 -17.235 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.551 -15.372 -18.507 1.00 0.00 H new ATOM 103 N LYS A 36 -7.873 -11.362 -17.012 1.00 0.00 N ATOM 104 CA LYS A 36 -8.147 -10.148 -16.254 1.00 0.00 C ATOM 105 C LYS A 36 -7.119 -9.957 -15.143 1.00 0.00 C ATOM 106 O LYS A 36 -7.468 -9.911 -13.963 1.00 0.00 O ATOM 107 CB LYS A 36 -9.559 -10.189 -15.666 1.00 0.00 C ATOM 108 CG LYS A 36 -10.671 -10.262 -16.705 1.00 0.00 C ATOM 109 CD LYS A 36 -12.043 -10.259 -16.049 1.00 0.00 C ATOM 110 CE LYS A 36 -13.155 -10.323 -17.085 1.00 0.00 C ATOM 111 NZ LYS A 36 -14.500 -10.389 -16.455 1.00 0.00 N ATOM 0 H LYS A 36 -7.598 -11.201 -17.981 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.077 -9.301 -16.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.639 -11.052 -15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.710 -9.301 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.590 -9.416 -17.387 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.554 -11.166 -17.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.126 -11.109 -15.372 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.157 -9.358 -15.446 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.100 -9.447 -17.731 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.009 -11.197 -17.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.229 -10.431 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.563 -11.239 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.651 -9.543 -15.869 1.00 0.00 H new ATOM 125 N LYS A 37 -5.853 -9.844 -15.528 1.00 0.00 N ATOM 126 CA LYS A 37 -4.771 -9.680 -14.562 1.00 0.00 C ATOM 127 C LYS A 37 -4.875 -8.334 -13.854 1.00 0.00 C ATOM 128 O LYS A 37 -5.680 -7.481 -14.230 1.00 0.00 O ATOM 129 CB LYS A 37 -3.412 -9.810 -15.252 1.00 0.00 C ATOM 130 CG LYS A 37 -3.102 -8.697 -16.244 1.00 0.00 C ATOM 131 CD LYS A 37 -1.828 -8.990 -17.025 1.00 0.00 C ATOM 132 CE LYS A 37 -0.608 -8.993 -16.114 1.00 0.00 C ATOM 133 NZ LYS A 37 -0.317 -7.638 -15.572 1.00 0.00 N ATOM 0 H LYS A 37 -5.550 -9.863 -16.502 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.862 -10.469 -13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.632 -9.830 -14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.373 -10.766 -15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.936 -8.581 -16.936 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.995 -7.752 -15.712 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.917 -9.957 -17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.698 -8.242 -17.807 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.773 -9.686 -15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.258 -9.356 -16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.616 -7.641 -15.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.319 -6.946 -16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.045 -7.379 -14.875 1.00 0.00 H new ATOM 147 N VAL A 38 -4.056 -8.149 -12.823 1.00 0.00 N ATOM 148 CA VAL A 38 -4.150 -6.969 -11.972 1.00 0.00 C ATOM 149 C VAL A 38 -3.928 -5.692 -12.776 1.00 0.00 C ATOM 150 O VAL A 38 -3.432 -5.735 -13.903 1.00 0.00 O ATOM 151 CB VAL A 38 -3.130 -7.021 -10.818 1.00 0.00 C ATOM 152 CG1 VAL A 38 -3.400 -8.223 -9.925 1.00 0.00 C ATOM 153 CG2 VAL A 38 -1.711 -7.071 -11.363 1.00 0.00 C ATOM 0 H VAL A 38 -3.319 -8.802 -12.557 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.157 -6.962 -11.554 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.237 -6.115 -10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.671 -8.245 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.404 -8.148 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.318 -9.138 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.004 -7.107 -10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.590 -7.960 -11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.520 -6.182 -11.964 1.00 0.00 H new ATOM 163 N ARG A 39 -4.297 -4.559 -12.190 1.00 0.00 N ATOM 164 CA ARG A 39 -4.082 -3.265 -12.826 1.00 0.00 C ATOM 165 C ARG A 39 -2.695 -2.720 -12.497 1.00 0.00 C ATOM 166 O ARG A 39 -2.110 -3.065 -11.469 1.00 0.00 O ATOM 167 CB ARG A 39 -5.174 -2.264 -12.477 1.00 0.00 C ATOM 168 CG ARG A 39 -6.590 -2.735 -12.766 1.00 0.00 C ATOM 169 CD ARG A 39 -6.836 -3.094 -14.187 1.00 0.00 C ATOM 170 NE ARG A 39 -6.614 -2.009 -15.130 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.521 -1.059 -15.429 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.722 -1.075 -14.895 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.180 -0.122 -16.298 1.00 0.00 N ATOM 0 H ARG A 39 -4.746 -4.510 -11.276 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.136 -3.421 -13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.097 -2.019 -11.418 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.993 -1.343 -13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.807 -3.602 -12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.288 -1.950 -12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.189 -3.929 -14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.864 -3.442 -14.288 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.708 -1.964 -15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.980 -1.815 -14.242 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.396 -0.347 -15.133 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.252 -0.132 -16.721 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.845 0.611 -16.545 1.00 0.00 H new ATOM 187 N GLU A 40 -2.173 -1.871 -13.376 1.00 0.00 N ATOM 188 CA GLU A 40 -0.743 -1.592 -13.413 1.00 0.00 C ATOM 189 C GLU A 40 -0.388 -0.447 -12.468 1.00 0.00 C ATOM 190 O GLU A 40 -1.268 0.188 -11.885 1.00 0.00 O ATOM 191 CB GLU A 40 -0.298 -1.259 -14.839 1.00 0.00 C ATOM 192 CG GLU A 40 -0.811 0.075 -15.363 1.00 0.00 C ATOM 193 CD GLU A 40 -0.396 0.297 -16.790 1.00 0.00 C ATOM 194 OE1 GLU A 40 0.781 0.398 -17.038 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.247 0.255 -17.648 1.00 0.00 O ATOM 0 H GLU A 40 -2.720 -1.364 -14.072 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.215 -2.487 -13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.791 -1.255 -14.875 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.636 -2.052 -15.506 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.898 0.103 -15.290 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.428 0.884 -14.741 1.00 0.00 H new ATOM 202 N LEU A 41 0.906 -0.189 -12.322 1.00 0.00 N ATOM 203 CA LEU A 41 1.385 0.827 -11.389 1.00 0.00 C ATOM 204 C LEU A 41 1.173 2.227 -11.954 1.00 0.00 C ATOM 205 O LEU A 41 2.120 2.882 -12.390 1.00 0.00 O ATOM 206 CB LEU A 41 2.866 0.607 -11.080 1.00 0.00 C ATOM 207 CG LEU A 41 3.206 -0.653 -10.281 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.410 -0.694 -8.986 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.938 -1.899 -11.113 1.00 0.00 C ATOM 0 H LEU A 41 1.644 -0.669 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 41 0.812 0.737 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.412 0.573 -12.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.234 1.473 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 41 4.267 -0.627 -10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.665 -1.597 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.650 0.182 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.344 -0.697 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.185 -2.786 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.885 -1.930 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.552 -1.874 -12.013 1.00 0.00 H new ATOM 221 N THR A 42 -0.076 2.683 -11.941 1.00 0.00 N ATOM 222 CA THR A 42 -0.408 4.017 -12.427 1.00 0.00 C ATOM 223 C THR A 42 -0.203 5.065 -11.339 1.00 0.00 C ATOM 224 O THR A 42 -0.246 4.772 -10.145 1.00 0.00 O ATOM 225 CB THR A 42 -1.862 4.090 -12.929 1.00 0.00 C ATOM 226 OG1 THR A 42 -2.761 3.896 -11.830 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.117 3.021 -13.982 1.00 0.00 C ATOM 0 H THR A 42 -0.874 2.148 -11.599 1.00 0.00 H new ATOM 0 HA THR A 42 0.264 4.225 -13.260 1.00 0.00 H new ATOM 0 HB THR A 42 -2.028 5.071 -13.374 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.592 4.387 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.149 3.087 -14.325 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.444 3.173 -14.825 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.941 2.036 -13.550 1.00 0.00 H new ATOM 235 N PRO A 43 0.026 6.317 -11.758 1.00 0.00 N ATOM 236 CA PRO A 43 0.132 7.454 -10.840 1.00 0.00 C ATOM 237 C PRO A 43 -1.163 7.703 -10.072 1.00 0.00 C ATOM 238 O PRO A 43 -1.144 8.224 -8.959 1.00 0.00 O ATOM 239 CB PRO A 43 0.488 8.633 -11.750 1.00 0.00 C ATOM 240 CG PRO A 43 -0.022 8.232 -13.093 1.00 0.00 C ATOM 241 CD PRO A 43 0.176 6.742 -13.167 1.00 0.00 C ATOM 0 HA PRO A 43 0.877 7.284 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.020 9.556 -11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.563 8.809 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.074 8.495 -13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.523 8.741 -13.888 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.563 6.268 -13.813 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.158 6.484 -13.564 1.00 0.00 H new ATOM 249 N GLN A 44 -2.284 7.327 -10.679 1.00 0.00 N ATOM 250 CA GLN A 44 -3.582 7.443 -10.022 1.00 0.00 C ATOM 251 C GLN A 44 -3.707 6.439 -8.881 1.00 0.00 C ATOM 252 O GLN A 44 -4.144 6.785 -7.784 1.00 0.00 O ATOM 253 CB GLN A 44 -4.714 7.229 -11.029 1.00 0.00 C ATOM 254 CG GLN A 44 -6.106 7.374 -10.441 1.00 0.00 C ATOM 255 CD GLN A 44 -7.196 7.189 -11.479 1.00 0.00 C ATOM 256 OE1 GLN A 44 -6.921 6.870 -12.639 1.00 0.00 O ATOM 257 NE2 GLN A 44 -8.444 7.392 -11.069 1.00 0.00 N ATOM 0 H GLN A 44 -2.321 6.940 -11.622 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.659 8.449 -9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.600 7.944 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.617 6.233 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.239 6.642 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.204 8.360 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.626 7.655 -10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.219 7.285 -11.723 1.00 0.00 H new ATOM 266 N GLU A 45 -3.323 5.195 -9.149 1.00 0.00 N ATOM 267 CA GLU A 45 -3.499 4.117 -8.183 1.00 0.00 C ATOM 268 C GLU A 45 -2.489 4.236 -7.044 1.00 0.00 C ATOM 269 O GLU A 45 -2.766 3.846 -5.909 1.00 0.00 O ATOM 270 CB GLU A 45 -3.365 2.755 -8.866 1.00 0.00 C ATOM 271 CG GLU A 45 -4.536 2.388 -9.769 1.00 0.00 C ATOM 272 CD GLU A 45 -4.336 1.038 -10.399 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.331 0.422 -10.136 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.238 0.572 -11.055 1.00 0.00 O ATOM 0 H GLU A 45 -2.888 4.909 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.502 4.201 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.449 2.747 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.257 1.987 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.459 2.388 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.648 3.142 -10.548 1.00 0.00 H new ATOM 281 N LEU A 46 -1.316 4.776 -7.357 1.00 0.00 N ATOM 282 CA LEU A 46 -0.252 4.915 -6.370 1.00 0.00 C ATOM 283 C LEU A 46 -0.496 6.123 -5.470 1.00 0.00 C ATOM 284 O LEU A 46 -0.195 6.091 -4.278 1.00 0.00 O ATOM 285 CB LEU A 46 1.109 5.035 -7.067 1.00 0.00 C ATOM 286 CG LEU A 46 1.842 3.708 -7.299 1.00 0.00 C ATOM 287 CD1 LEU A 46 0.885 2.676 -7.880 1.00 0.00 C ATOM 288 CD2 LEU A 46 3.023 3.935 -8.232 1.00 0.00 C ATOM 0 H LEU A 46 -1.078 5.124 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.249 4.022 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.964 5.525 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.749 5.686 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 46 2.215 3.328 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.416 1.738 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.061 2.512 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.492 3.038 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.543 2.991 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.664 4.322 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.708 4.654 -7.783 1.00 0.00 H new ATOM 300 N GLU A 47 -1.047 7.185 -6.051 1.00 0.00 N ATOM 301 CA GLU A 47 -1.334 8.402 -5.301 1.00 0.00 C ATOM 302 C GLU A 47 -2.486 8.179 -4.326 1.00 0.00 C ATOM 303 O GLU A 47 -2.396 8.540 -3.150 1.00 0.00 O ATOM 304 CB GLU A 47 -1.664 9.554 -6.253 1.00 0.00 C ATOM 305 CG GLU A 47 -0.450 10.189 -6.915 1.00 0.00 C ATOM 306 CD GLU A 47 -0.858 11.209 -7.941 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.036 11.380 -8.145 1.00 0.00 O ATOM 308 OE2 GLU A 47 0.000 11.899 -8.440 1.00 0.00 O ATOM 0 H GLU A 47 -1.303 7.227 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.444 8.664 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.336 9.187 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.205 10.322 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.174 10.662 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.155 9.416 -7.389 1.00 0.00 H new ATOM 315 N LEU A 48 -3.565 7.585 -4.818 1.00 0.00 N ATOM 316 CA LEU A 48 -4.729 7.296 -3.988 1.00 0.00 C ATOM 317 C LEU A 48 -4.359 6.360 -2.841 1.00 0.00 C ATOM 318 O LEU A 48 -4.975 6.393 -1.775 1.00 0.00 O ATOM 319 CB LEU A 48 -5.843 6.675 -4.831 1.00 0.00 C ATOM 320 CG LEU A 48 -5.709 5.180 -5.123 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.075 4.361 -3.894 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.581 4.788 -6.306 1.00 0.00 C ATOM 0 H LEU A 48 -3.659 7.293 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.086 8.236 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.792 6.842 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.892 7.207 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.670 4.971 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.974 3.300 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.409 4.622 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.105 4.574 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.473 3.721 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.623 5.012 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.272 5.350 -7.188 1.00 0.00 H new ATOM 334 N PHE A 49 -3.351 5.525 -3.068 1.00 0.00 N ATOM 335 CA PHE A 49 -2.867 4.613 -2.038 1.00 0.00 C ATOM 336 C PHE A 49 -2.257 5.383 -0.871 1.00 0.00 C ATOM 337 O PHE A 49 -2.708 5.269 0.268 1.00 0.00 O ATOM 338 CB PHE A 49 -1.841 3.640 -2.621 1.00 0.00 C ATOM 339 CG PHE A 49 -1.212 2.736 -1.599 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.839 1.561 -1.213 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.005 3.060 -1.023 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.261 0.728 -0.272 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.586 2.229 -0.083 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.049 1.063 0.291 1.00 0.00 C ATOM 0 H PHE A 49 -2.853 5.461 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.719 4.043 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.326 3.029 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.057 4.210 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.789 1.293 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.506 3.972 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.759 -0.184 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.536 2.493 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.404 0.413 1.025 1.00 0.00 H new ATOM 354 N LYS A 50 -1.226 6.170 -1.164 1.00 0.00 N ATOM 355 CA LYS A 50 -0.555 6.964 -0.143 1.00 0.00 C ATOM 356 C LYS A 50 -1.492 8.027 0.425 1.00 0.00 C ATOM 357 O LYS A 50 -1.363 8.426 1.580 1.00 0.00 O ATOM 358 CB LYS A 50 0.704 7.619 -0.713 1.00 0.00 C ATOM 359 CG LYS A 50 0.434 8.712 -1.740 1.00 0.00 C ATOM 360 CD LYS A 50 1.729 9.332 -2.241 1.00 0.00 C ATOM 361 CE LYS A 50 1.461 10.448 -3.240 1.00 0.00 C ATOM 362 NZ LYS A 50 2.720 11.037 -3.769 1.00 0.00 N ATOM 0 H LYS A 50 -0.838 6.274 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.265 6.295 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.282 8.043 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.323 6.849 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.121 8.295 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.193 9.485 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.296 9.725 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.345 8.564 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.867 10.059 -4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.869 11.228 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.492 11.793 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.276 11.432 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.274 10.299 -4.248 1.00 0.00 H new ATOM 376 N ARG A 51 -2.433 8.478 -0.399 1.00 0.00 N ATOM 377 CA ARG A 51 -3.441 9.433 0.047 1.00 0.00 C ATOM 378 C ARG A 51 -4.320 8.829 1.137 1.00 0.00 C ATOM 379 O ARG A 51 -4.487 9.411 2.208 1.00 0.00 O ATOM 380 CB ARG A 51 -4.273 9.971 -1.108 1.00 0.00 C ATOM 381 CG ARG A 51 -5.252 11.072 -0.733 1.00 0.00 C ATOM 382 CD ARG A 51 -6.075 11.571 -1.864 1.00 0.00 C ATOM 383 NE ARG A 51 -5.313 12.196 -2.934 1.00 0.00 N ATOM 384 CZ ARG A 51 -4.863 13.466 -2.911 1.00 0.00 C ATOM 385 NH1 ARG A 51 -5.128 14.261 -1.897 1.00 0.00 N ATOM 386 NH2 ARG A 51 -4.169 13.901 -3.949 1.00 0.00 N ATOM 0 H ARG A 51 -2.518 8.198 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.913 10.285 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.599 10.350 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.830 9.145 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.916 10.701 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.696 11.907 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.644 10.738 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.798 12.291 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.105 11.634 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.682 13.919 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.779 15.220 -1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.988 13.280 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.815 14.858 -3.961 1.00 0.00 H new ATOM 400 N ALA A 52 -4.881 7.656 0.856 1.00 0.00 N ATOM 401 CA ALA A 52 -5.771 6.991 1.800 1.00 0.00 C ATOM 402 C ALA A 52 -4.998 6.460 3.002 1.00 0.00 C ATOM 403 O ALA A 52 -5.521 6.419 4.117 1.00 0.00 O ATOM 404 CB ALA A 52 -6.519 5.859 1.109 1.00 0.00 C ATOM 0 H ALA A 52 -4.735 7.148 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.493 7.724 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.180 5.370 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.109 6.262 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.804 5.133 0.722 1.00 0.00 H new ATOM 410 N MET A 53 -3.756 6.055 2.771 1.00 0.00 N ATOM 411 CA MET A 53 -2.915 5.518 3.834 1.00 0.00 C ATOM 412 C MET A 53 -2.565 6.601 4.849 1.00 0.00 C ATOM 413 O MET A 53 -2.378 6.319 6.032 1.00 0.00 O ATOM 414 CB MET A 53 -1.643 4.909 3.249 1.00 0.00 C ATOM 415 CG MET A 53 -0.768 4.183 4.261 1.00 0.00 C ATOM 416 SD MET A 53 -1.597 2.765 5.007 1.00 0.00 S ATOM 417 CE MET A 53 -1.584 1.607 3.641 1.00 0.00 C ATOM 0 H MET A 53 -3.308 6.088 1.855 1.00 0.00 H new ATOM 0 HA MET A 53 -3.474 4.736 4.348 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.920 4.210 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.057 5.701 2.783 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.146 3.848 3.771 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.472 4.880 5.045 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.865 0.617 4.001 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.295 1.932 2.882 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.584 1.566 3.208 1.00 0.00 H new ATOM 427 N GLY A 54 -2.476 7.841 4.377 1.00 0.00 N ATOM 428 CA GLY A 54 -2.081 8.937 5.243 1.00 0.00 C ATOM 429 C GLY A 54 -0.575 9.076 5.354 1.00 0.00 C ATOM 430 O GLY A 54 -0.053 9.416 6.416 1.00 0.00 O ATOM 0 H GLY A 54 -2.670 8.106 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.501 9.867 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.502 8.781 6.236 1.00 0.00 H new ATOM 434 N ILE A 55 0.123 8.812 4.255 1.00 0.00 N ATOM 435 CA ILE A 55 1.582 8.825 4.255 1.00 0.00 C ATOM 436 C ILE A 55 2.117 10.248 4.151 1.00 0.00 C ATOM 437 O ILE A 55 1.922 10.926 3.142 1.00 0.00 O ATOM 438 CB ILE A 55 2.155 7.982 3.102 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.735 6.517 3.252 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.669 8.104 3.056 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.105 5.652 2.068 1.00 0.00 C ATOM 0 H ILE A 55 -0.297 8.587 3.353 1.00 0.00 H new ATOM 0 HA ILE A 55 1.902 8.388 5.201 1.00 0.00 H new ATOM 0 HB ILE A 55 1.753 8.360 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.198 6.106 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.656 6.471 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.058 7.502 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.945 9.147 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.091 7.751 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.775 4.629 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.621 6.037 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.186 5.666 1.931 1.00 0.00 H new ATOM 453 N THR A 56 2.800 10.695 5.201 1.00 0.00 N ATOM 454 CA THR A 56 3.317 12.057 5.252 1.00 0.00 C ATOM 455 C THR A 56 4.728 12.131 4.679 1.00 0.00 C ATOM 456 O THR A 56 5.449 11.134 4.610 1.00 0.00 O ATOM 457 CB THR A 56 3.329 12.603 6.691 1.00 0.00 C ATOM 458 OG1 THR A 56 4.268 11.861 7.480 1.00 0.00 O ATOM 459 CG2 THR A 56 1.946 12.489 7.316 1.00 0.00 C ATOM 0 H THR A 56 3.008 10.134 6.027 1.00 0.00 H new ATOM 0 HA THR A 56 2.649 12.670 4.647 1.00 0.00 H new ATOM 0 HB THR A 56 3.619 13.653 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.416 10.982 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.973 12.880 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.232 13.063 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.641 11.443 7.337 1.00 0.00 H new ATOM 467 N PRO A 57 5.135 13.338 4.259 1.00 0.00 N ATOM 468 CA PRO A 57 6.488 13.585 3.753 1.00 0.00 C ATOM 469 C PRO A 57 7.557 13.338 4.811 1.00 0.00 C ATOM 470 O PRO A 57 8.734 13.167 4.492 1.00 0.00 O ATOM 471 CB PRO A 57 6.453 15.052 3.312 1.00 0.00 C ATOM 472 CG PRO A 57 5.336 15.650 4.098 1.00 0.00 C ATOM 473 CD PRO A 57 4.303 14.562 4.214 1.00 0.00 C ATOM 0 HA PRO A 57 6.752 12.908 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.398 15.552 3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.276 15.140 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.677 15.975 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.928 16.527 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.695 14.673 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.620 14.558 3.365 1.00 0.00 H new ATOM 481 N HIS A 58 7.141 13.318 6.073 1.00 0.00 N ATOM 482 CA HIS A 58 8.043 12.987 7.171 1.00 0.00 C ATOM 483 C HIS A 58 8.467 11.524 7.104 1.00 0.00 C ATOM 484 O HIS A 58 9.643 11.199 7.267 1.00 0.00 O ATOM 485 CB HIS A 58 7.385 13.283 8.522 1.00 0.00 C ATOM 486 CG HIS A 58 8.241 12.927 9.699 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.356 13.655 10.054 1.00 0.00 N ATOM 488 CD2 HIS A 58 8.144 11.922 10.600 1.00 0.00 C ATOM 489 CE1 HIS A 58 9.910 13.113 11.124 1.00 0.00 C ATOM 490 NE2 HIS A 58 9.193 12.059 11.475 1.00 0.00 N ATOM 0 H HIS A 58 6.185 13.527 6.361 1.00 0.00 H new ATOM 0 HA HIS A 58 8.932 13.610 7.072 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.138 14.343 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.446 12.733 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.384 11.156 10.626 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.797 13.470 11.626 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.388 11.447 12.267 1.00 0.00 H new ATOM 498 N ASN A 59 7.501 10.643 6.862 1.00 0.00 N ATOM 499 CA ASN A 59 7.771 9.213 6.784 1.00 0.00 C ATOM 500 C ASN A 59 7.490 8.682 5.382 1.00 0.00 C ATOM 501 O ASN A 59 7.300 7.479 5.189 1.00 0.00 O ATOM 502 CB ASN A 59 6.971 8.438 7.813 1.00 0.00 C ATOM 503 CG ASN A 59 5.483 8.542 7.625 1.00 0.00 C ATOM 504 OD1 ASN A 59 4.996 9.273 6.755 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.757 7.878 8.489 1.00 0.00 N ATOM 0 H ASN A 59 6.524 10.896 6.717 1.00 0.00 H new ATOM 0 HA ASN A 59 8.829 9.069 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.261 7.388 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.229 8.800 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.740 7.951 8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.209 7.288 9.188 1.00 0.00 H new ATOM 512 N TYR A 60 7.465 9.583 4.408 1.00 0.00 N ATOM 513 CA TYR A 60 7.273 9.197 3.015 1.00 0.00 C ATOM 514 C TYR A 60 8.410 8.298 2.537 1.00 0.00 C ATOM 515 O TYR A 60 8.181 7.296 1.861 1.00 0.00 O ATOM 516 CB TYR A 60 7.170 10.436 2.123 1.00 0.00 C ATOM 517 CG TYR A 60 6.989 10.123 0.655 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.748 9.755 0.152 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.058 10.198 -0.225 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.578 9.467 -1.187 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.898 9.912 -1.568 1.00 0.00 C ATOM 522 CZ TYR A 60 6.657 9.547 -2.046 1.00 0.00 C ATOM 523 OH TYR A 60 6.492 9.263 -3.381 1.00 0.00 O ATOM 0 H TYR A 60 7.575 10.586 4.556 1.00 0.00 H new ATOM 0 HA TYR A 60 6.340 8.637 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.331 11.045 2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.071 11.037 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.902 9.693 0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.031 10.485 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.606 9.181 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.741 9.974 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 60 7.348 9.368 -3.846 1.00 0.00 H new ATOM 533 N TRP A 61 9.635 8.665 2.894 1.00 0.00 N ATOM 534 CA TRP A 61 10.803 7.862 2.553 1.00 0.00 C ATOM 535 C TRP A 61 10.730 6.487 3.210 1.00 0.00 C ATOM 536 O TRP A 61 11.159 5.490 2.630 1.00 0.00 O ATOM 537 CB TRP A 61 12.087 8.578 2.973 1.00 0.00 C ATOM 538 CG TRP A 61 12.215 8.755 4.457 1.00 0.00 C ATOM 539 CD1 TRP A 61 11.779 9.816 5.191 1.00 0.00 C ATOM 540 CD2 TRP A 61 12.819 7.844 5.384 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.074 9.626 6.519 1.00 0.00 N ATOM 542 CE2 TRP A 61 12.711 8.420 6.662 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.440 6.596 5.254 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.201 7.796 7.801 1.00 0.00 C ATOM 545 CZ3 TRP A 61 13.927 5.971 6.395 1.00 0.00 C ATOM 546 CH2 TRP A 61 13.811 6.554 7.632 1.00 0.00 C ATOM 0 H TRP A 61 9.845 9.514 3.420 1.00 0.00 H new ATOM 0 HA TRP A 61 10.814 7.726 1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.945 8.014 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.121 9.557 2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.274 10.681 4.787 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.855 10.275 7.275 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.539 6.128 4.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.113 8.253 8.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.406 5.007 6.307 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.202 6.038 8.496 1.00 0.00 H new ATOM 557 N GLN A 62 10.183 6.443 4.420 1.00 0.00 N ATOM 558 CA GLN A 62 10.021 5.184 5.138 1.00 0.00 C ATOM 559 C GLN A 62 8.989 4.296 4.453 1.00 0.00 C ATOM 560 O GLN A 62 9.193 3.090 4.308 1.00 0.00 O ATOM 561 CB GLN A 62 9.601 5.444 6.588 1.00 0.00 C ATOM 562 CG GLN A 62 9.459 4.186 7.430 1.00 0.00 C ATOM 563 CD GLN A 62 10.771 3.440 7.580 1.00 0.00 C ATOM 564 OE1 GLN A 62 11.812 4.037 7.866 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.730 2.127 7.382 1.00 0.00 N ATOM 0 H GLN A 62 9.845 7.263 4.923 1.00 0.00 H new ATOM 0 HA GLN A 62 10.982 4.669 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.336 6.100 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.651 5.978 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.081 4.453 8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.720 3.528 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.847 1.674 7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.582 1.572 7.465 1.00 0.00 H new ATOM 574 N TRP A 63 7.882 4.898 4.034 1.00 0.00 N ATOM 575 CA TRP A 63 6.829 4.165 3.340 1.00 0.00 C ATOM 576 C TRP A 63 7.270 3.781 1.932 1.00 0.00 C ATOM 577 O TRP A 63 6.827 2.770 1.387 1.00 0.00 O ATOM 578 CB TRP A 63 5.551 5.003 3.279 1.00 0.00 C ATOM 579 CG TRP A 63 4.622 4.756 4.429 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.522 5.495 5.573 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.666 3.699 4.546 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.559 4.959 6.394 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.019 3.856 5.787 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.291 2.633 3.722 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.021 2.988 6.222 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.301 1.772 4.157 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.674 1.955 5.396 1.00 0.00 C ATOM 0 H TRP A 63 7.690 5.891 4.163 1.00 0.00 H new ATOM 0 HA TRP A 63 6.628 3.251 3.898 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.819 6.059 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.029 4.788 2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.112 6.371 5.799 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.290 5.324 7.308 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.766 2.485 2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.538 3.126 7.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.006 0.943 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.901 1.267 5.705 1.00 0.00 H new ATOM 598 N ALA A 64 8.144 4.594 1.348 1.00 0.00 N ATOM 599 CA ALA A 64 8.759 4.264 0.069 1.00 0.00 C ATOM 600 C ALA A 64 9.518 2.943 0.151 1.00 0.00 C ATOM 601 O ALA A 64 9.372 2.078 -0.713 1.00 0.00 O ATOM 602 CB ALA A 64 9.689 5.383 -0.374 1.00 0.00 C ATOM 0 H ALA A 64 8.442 5.487 1.741 1.00 0.00 H new ATOM 0 HA ALA A 64 7.966 4.153 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.141 5.123 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.121 6.307 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.472 5.522 0.372 1.00 0.00 H new ATOM 608 N SER A 65 10.329 2.796 1.194 1.00 0.00 N ATOM 609 CA SER A 65 11.078 1.563 1.412 1.00 0.00 C ATOM 610 C SER A 65 10.160 0.449 1.903 1.00 0.00 C ATOM 611 O SER A 65 10.473 -0.734 1.770 1.00 0.00 O ATOM 612 CB SER A 65 12.203 1.800 2.401 1.00 0.00 C ATOM 613 OG SER A 65 11.720 2.087 3.686 1.00 0.00 O ATOM 0 H SER A 65 10.484 3.515 1.901 1.00 0.00 H new ATOM 0 HA SER A 65 11.509 1.251 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.842 0.918 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.823 2.626 2.054 1.00 0.00 H new ATOM 0 HG SER A 65 10.804 2.429 3.622 1.00 0.00 H new ATOM 619 N ARG A 66 9.021 0.836 2.473 1.00 0.00 N ATOM 620 CA ARG A 66 8.020 -0.128 2.911 1.00 0.00 C ATOM 621 C ARG A 66 7.340 -0.788 1.715 1.00 0.00 C ATOM 622 O ARG A 66 7.081 -1.992 1.719 1.00 0.00 O ATOM 623 CB ARG A 66 7.006 0.488 3.863 1.00 0.00 C ATOM 624 CG ARG A 66 5.888 -0.445 4.298 1.00 0.00 C ATOM 625 CD ARG A 66 6.348 -1.657 5.024 1.00 0.00 C ATOM 626 NE ARG A 66 7.022 -1.386 6.284 1.00 0.00 N ATOM 627 CZ ARG A 66 7.657 -2.313 7.027 1.00 0.00 C ATOM 628 NH1 ARG A 66 7.678 -3.576 6.663 1.00 0.00 N ATOM 629 NH2 ARG A 66 8.239 -1.923 8.148 1.00 0.00 N ATOM 0 H ARG A 66 8.770 1.810 2.641 1.00 0.00 H new ATOM 0 HA ARG A 66 8.540 -0.904 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.531 0.841 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.565 1.362 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.199 0.107 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.327 -0.755 3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.488 -2.298 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.024 -2.217 4.378 1.00 0.00 H new ATOM 0 HE ARG A 66 7.013 -0.426 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.209 -3.868 5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.164 -4.264 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.199 -0.943 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.728 -2.602 8.732 1.00 0.00 H new ATOM 643 N THR A 67 7.051 0.009 0.691 1.00 0.00 N ATOM 644 CA THR A 67 6.159 -0.414 -0.380 1.00 0.00 C ATOM 645 C THR A 67 6.940 -0.746 -1.647 1.00 0.00 C ATOM 646 O THR A 67 6.358 -0.950 -2.710 1.00 0.00 O ATOM 647 CB THR A 67 5.111 0.666 -0.702 1.00 0.00 C ATOM 648 OG1 THR A 67 5.771 1.880 -1.082 1.00 0.00 O ATOM 649 CG2 THR A 67 4.229 0.931 0.509 1.00 0.00 C ATOM 0 H THR A 67 7.423 0.952 0.581 1.00 0.00 H new ATOM 0 HA THR A 67 5.646 -1.309 -0.028 1.00 0.00 H new ATOM 0 HB THR A 67 4.488 0.312 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.196 2.281 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.494 1.697 0.263 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.715 0.013 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.845 1.273 1.340 1.00 0.00 H new ATOM 657 N ASN A 68 8.263 -0.796 -1.525 1.00 0.00 N ATOM 658 CA ASN A 68 9.129 -1.024 -2.677 1.00 0.00 C ATOM 659 C ASN A 68 8.848 -0.006 -3.778 1.00 0.00 C ATOM 660 O ASN A 68 8.537 -0.372 -4.910 1.00 0.00 O ATOM 661 CB ASN A 68 8.981 -2.436 -3.214 1.00 0.00 C ATOM 662 CG ASN A 68 10.077 -2.843 -4.159 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.191 -2.309 -4.115 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.743 -3.725 -5.065 1.00 0.00 N ATOM 0 H ASN A 68 8.759 -0.682 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 68 10.158 -0.899 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.959 -3.133 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.022 -2.522 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.416 -4.002 -5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.810 -4.136 -5.057 1.00 0.00 H new ATOM 671 N ASN A 69 8.962 1.273 -3.436 1.00 0.00 N ATOM 672 CA ASN A 69 8.683 2.345 -4.385 1.00 0.00 C ATOM 673 C ASN A 69 7.220 2.320 -4.819 1.00 0.00 C ATOM 674 O ASN A 69 6.899 2.598 -5.975 1.00 0.00 O ATOM 675 CB ASN A 69 9.594 2.267 -5.597 1.00 0.00 C ATOM 676 CG ASN A 69 9.723 3.566 -6.342 1.00 0.00 C ATOM 677 OD1 ASN A 69 9.601 4.651 -5.764 1.00 0.00 O ATOM 678 ND2 ASN A 69 9.888 3.460 -7.635 1.00 0.00 N ATOM 0 H ASN A 69 9.245 1.592 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 69 8.880 3.289 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.584 1.943 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.214 1.505 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.921 4.298 -8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.984 2.539 -8.063 1.00 0.00 H new ATOM 685 N PHE A 70 6.337 1.985 -3.884 1.00 0.00 N ATOM 686 CA PHE A 70 4.915 1.867 -4.183 1.00 0.00 C ATOM 687 C PHE A 70 4.684 0.931 -5.366 1.00 0.00 C ATOM 688 O PHE A 70 3.937 1.252 -6.290 1.00 0.00 O ATOM 689 CB PHE A 70 4.311 3.243 -4.471 1.00 0.00 C ATOM 690 CG PHE A 70 4.391 4.194 -3.312 1.00 0.00 C ATOM 691 CD1 PHE A 70 3.445 4.159 -2.299 1.00 0.00 C ATOM 692 CD2 PHE A 70 5.414 5.127 -3.231 1.00 0.00 C ATOM 693 CE1 PHE A 70 3.516 5.033 -1.233 1.00 0.00 C ATOM 694 CE2 PHE A 70 5.489 6.004 -2.165 1.00 0.00 C ATOM 695 CZ PHE A 70 4.540 5.956 -1.166 1.00 0.00 C ATOM 0 H PHE A 70 6.581 1.791 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 70 4.420 1.444 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.824 3.683 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.266 3.119 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.642 3.438 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.161 5.169 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.771 4.995 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.290 6.726 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.598 6.640 -0.332 1.00 0.00 H new ATOM 705 N LYS A 71 5.331 -0.229 -5.330 1.00 0.00 N ATOM 706 CA LYS A 71 5.150 -1.239 -6.367 1.00 0.00 C ATOM 707 C LYS A 71 4.105 -2.266 -5.950 1.00 0.00 C ATOM 708 O LYS A 71 4.436 -3.406 -5.618 1.00 0.00 O ATOM 709 CB LYS A 71 6.478 -1.933 -6.678 1.00 0.00 C ATOM 710 CG LYS A 71 6.367 -3.091 -7.660 1.00 0.00 C ATOM 711 CD LYS A 71 5.866 -2.622 -9.016 1.00 0.00 C ATOM 712 CE LYS A 71 6.781 -1.560 -9.609 1.00 0.00 C ATOM 713 NZ LYS A 71 6.528 -1.356 -11.061 1.00 0.00 N ATOM 0 H LYS A 71 5.986 -0.493 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 71 4.797 -0.737 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.173 -1.196 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.908 -2.302 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.341 -3.567 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.689 -3.845 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.803 -3.471 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.858 -2.220 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.635 -0.619 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.820 -1.852 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.429 -1.398 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.892 -2.101 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.086 -0.426 -11.209 1.00 0.00 H new ATOM 727 N LEU A 72 2.842 -1.859 -5.968 1.00 0.00 N ATOM 728 CA LEU A 72 1.749 -2.730 -5.545 1.00 0.00 C ATOM 729 C LEU A 72 0.671 -2.813 -6.623 1.00 0.00 C ATOM 730 O LEU A 72 0.393 -1.832 -7.315 1.00 0.00 O ATOM 731 CB LEU A 72 1.141 -2.223 -4.237 1.00 0.00 C ATOM 732 CG LEU A 72 2.127 -1.948 -3.101 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.664 -0.528 -3.193 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.464 -2.183 -1.752 1.00 0.00 C ATOM 0 H LEU A 72 2.547 -0.931 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 72 2.155 -3.729 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.593 -1.304 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.413 -2.956 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 72 2.965 -2.638 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.364 -0.350 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.176 -0.394 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.837 0.179 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.180 -1.983 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.608 -1.517 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.129 -3.218 -1.687 1.00 0.00 H new ATOM 746 N LEU A 73 0.066 -3.987 -6.757 1.00 0.00 N ATOM 747 CA LEU A 73 -0.905 -4.230 -7.819 1.00 0.00 C ATOM 748 C LEU A 73 -2.172 -4.871 -7.262 1.00 0.00 C ATOM 749 O LEU A 73 -2.144 -5.521 -6.216 1.00 0.00 O ATOM 750 CB LEU A 73 -0.296 -5.130 -8.897 1.00 0.00 C ATOM 751 CG LEU A 73 1.204 -4.965 -9.141 1.00 0.00 C ATOM 752 CD1 LEU A 73 1.997 -5.898 -8.242 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.538 -5.219 -10.604 1.00 0.00 C ATOM 0 H LEU A 73 0.230 -4.786 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.170 -3.270 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.487 -6.168 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.819 -4.944 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 73 1.481 -3.939 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.062 -5.766 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.782 -5.668 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.717 -6.930 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.610 -5.097 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.246 -6.234 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.998 -4.508 -11.229 1.00 0.00 H new ATOM 765 N THR A 74 -3.283 -4.685 -7.968 1.00 0.00 N ATOM 766 CA THR A 74 -4.573 -5.184 -7.511 1.00 0.00 C ATOM 767 C THR A 74 -5.622 -5.092 -8.613 1.00 0.00 C ATOM 768 O THR A 74 -5.499 -4.283 -9.531 1.00 0.00 O ATOM 769 CB THR A 74 -5.072 -4.413 -6.275 1.00 0.00 C ATOM 770 OG1 THR A 74 -6.174 -5.113 -5.684 1.00 0.00 O ATOM 771 CG2 THR A 74 -5.516 -3.012 -6.665 1.00 0.00 C ATOM 0 H THR A 74 -3.315 -4.191 -8.860 1.00 0.00 H new ATOM 0 HA THR A 74 -4.426 -6.230 -7.240 1.00 0.00 H new ATOM 0 HB THR A 74 -4.255 -4.338 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.276 -4.834 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.866 -2.481 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.676 -2.473 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.325 -3.076 -7.393 1.00 0.00 H new ATOM 779 N ASP A 75 -6.650 -5.926 -8.515 1.00 0.00 N ATOM 780 CA ASP A 75 -7.876 -5.721 -9.279 1.00 0.00 C ATOM 781 C ASP A 75 -9.083 -6.275 -8.530 1.00 0.00 C ATOM 782 O ASP A 75 -9.369 -7.471 -8.590 1.00 0.00 O ATOM 783 CB ASP A 75 -7.765 -6.375 -10.658 1.00 0.00 C ATOM 784 CG ASP A 75 -8.959 -6.124 -11.571 1.00 0.00 C ATOM 785 OD1 ASP A 75 -9.932 -5.580 -11.107 1.00 0.00 O ATOM 786 OD2 ASP A 75 -8.832 -6.335 -12.754 1.00 0.00 O ATOM 0 H ASP A 75 -6.660 -6.750 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.016 -4.648 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.864 -6.008 -11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.642 -7.450 -10.528 1.00 0.00 H new ATOM 791 N GLY A 76 -9.788 -5.398 -7.822 1.00 0.00 N ATOM 792 CA GLY A 76 -10.881 -5.836 -6.972 1.00 0.00 C ATOM 793 C GLY A 76 -10.410 -6.722 -5.836 1.00 0.00 C ATOM 794 O GLY A 76 -11.171 -7.545 -5.327 1.00 0.00 O ATOM 0 H GLY A 76 -9.622 -4.392 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.391 -4.964 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.611 -6.378 -7.573 1.00 0.00 H new ATOM 798 N GLU A 77 -9.152 -6.556 -5.438 1.00 0.00 N ATOM 799 CA GLU A 77 -8.532 -7.454 -4.470 1.00 0.00 C ATOM 800 C GLU A 77 -7.672 -6.676 -3.480 1.00 0.00 C ATOM 801 O GLU A 77 -7.615 -5.447 -3.522 1.00 0.00 O ATOM 802 CB GLU A 77 -7.690 -8.514 -5.183 1.00 0.00 C ATOM 803 CG GLU A 77 -8.489 -9.462 -6.068 1.00 0.00 C ATOM 804 CD GLU A 77 -7.593 -10.460 -6.746 1.00 0.00 C ATOM 805 OE1 GLU A 77 -6.417 -10.455 -6.476 1.00 0.00 O ATOM 806 OE2 GLU A 77 -8.102 -11.304 -7.447 1.00 0.00 O ATOM 0 H GLU A 77 -8.543 -5.809 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.327 -7.953 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.938 -8.013 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.155 -9.099 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.231 -9.986 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.034 -8.890 -6.819 1.00 0.00 H new ATOM 813 N TRP A 78 -7.003 -7.401 -2.591 1.00 0.00 N ATOM 814 CA TRP A 78 -5.986 -6.807 -1.731 1.00 0.00 C ATOM 815 C TRP A 78 -4.879 -6.164 -2.559 1.00 0.00 C ATOM 816 O TRP A 78 -4.602 -6.591 -3.680 1.00 0.00 O ATOM 817 CB TRP A 78 -5.392 -7.866 -0.800 1.00 0.00 C ATOM 818 CG TRP A 78 -4.656 -8.950 -1.528 1.00 0.00 C ATOM 819 CD1 TRP A 78 -5.043 -9.572 -2.681 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.407 -9.539 -1.149 1.00 0.00 C ATOM 821 NE1 TRP A 78 -4.108 -10.513 -3.041 1.00 0.00 N ATOM 822 CE2 TRP A 78 -3.094 -10.511 -2.120 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.521 -9.337 -0.088 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.935 -11.280 -2.057 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.370 -10.101 -0.028 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.085 -11.062 -1.007 1.00 0.00 C ATOM 0 H TRP A 78 -7.146 -8.401 -2.447 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.463 -6.032 -1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.712 -7.383 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.193 -8.313 -0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.949 -9.356 -3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.161 -11.116 -3.862 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.731 -8.598 0.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.715 -12.022 -2.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.678 -9.954 0.788 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.177 -11.642 -0.931 1.00 0.00 H new ATOM 837 N VAL A 79 -4.251 -5.134 -2.001 1.00 0.00 N ATOM 838 CA VAL A 79 -3.106 -4.499 -2.643 1.00 0.00 C ATOM 839 C VAL A 79 -1.803 -4.897 -1.960 1.00 0.00 C ATOM 840 O VAL A 79 -1.615 -4.651 -0.769 1.00 0.00 O ATOM 841 CB VAL A 79 -3.233 -2.964 -2.633 1.00 0.00 C ATOM 842 CG1 VAL A 79 -2.054 -2.327 -3.356 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.544 -2.533 -3.274 1.00 0.00 C ATOM 0 H VAL A 79 -4.516 -4.722 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.091 -4.845 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.227 -2.625 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.160 -1.242 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.126 -2.609 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.031 -2.673 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.617 -1.446 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.577 -2.884 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.379 -2.960 -2.718 1.00 0.00 H new ATOM 853 N TRP A 80 -0.906 -5.512 -2.722 1.00 0.00 N ATOM 854 CA TRP A 80 0.307 -6.092 -2.158 1.00 0.00 C ATOM 855 C TRP A 80 1.536 -5.668 -2.958 1.00 0.00 C ATOM 856 O TRP A 80 1.440 -5.365 -4.146 1.00 0.00 O ATOM 857 CB TRP A 80 0.204 -7.617 -2.119 1.00 0.00 C ATOM 858 CG TRP A 80 0.268 -8.256 -3.473 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.377 -8.760 -4.086 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.821 -8.460 -4.382 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.047 -9.263 -5.319 1.00 0.00 N ATOM 862 CE2 TRP A 80 -0.299 -9.093 -5.524 1.00 0.00 C ATOM 863 CE3 TRP A 80 -2.191 -8.169 -4.337 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -1.089 -9.437 -6.609 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.982 -8.515 -5.426 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.447 -9.131 -6.529 1.00 0.00 C ATOM 0 H TRP A 80 -0.996 -5.622 -3.732 1.00 0.00 H new ATOM 0 HA TRP A 80 0.415 -5.721 -1.139 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.011 -8.012 -1.501 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.733 -7.898 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.370 -8.763 -3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.697 -9.694 -5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.623 -7.686 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.671 -9.921 -7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -4.039 -8.295 -5.404 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.094 -9.385 -7.356 1.00 0.00 H new ATOM 877 N VAL A 81 2.690 -5.650 -2.298 1.00 0.00 N ATOM 878 CA VAL A 81 3.945 -5.322 -2.961 1.00 0.00 C ATOM 879 C VAL A 81 4.462 -6.503 -3.774 1.00 0.00 C ATOM 880 O VAL A 81 4.637 -7.602 -3.247 1.00 0.00 O ATOM 881 CB VAL A 81 5.024 -4.894 -1.949 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.326 -4.568 -2.665 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.550 -3.699 -1.137 1.00 0.00 C ATOM 0 H VAL A 81 2.781 -5.859 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 81 3.739 -4.487 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 81 5.204 -5.724 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.077 -4.267 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.675 -5.449 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.159 -3.754 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.325 -3.411 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.342 -2.864 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.642 -3.964 -0.595 1.00 0.00 H new ATOM 893 N GLU A 82 4.706 -6.268 -5.060 1.00 0.00 N ATOM 894 CA GLU A 82 5.177 -7.320 -5.952 1.00 0.00 C ATOM 895 C GLU A 82 6.478 -7.929 -5.436 1.00 0.00 C ATOM 896 O GLU A 82 7.439 -7.217 -5.153 1.00 0.00 O ATOM 897 CB GLU A 82 5.373 -6.775 -7.368 1.00 0.00 C ATOM 898 CG GLU A 82 5.765 -7.825 -8.399 1.00 0.00 C ATOM 899 CD GLU A 82 5.889 -7.225 -9.770 1.00 0.00 C ATOM 900 OE1 GLU A 82 5.623 -6.055 -9.914 1.00 0.00 O ATOM 901 OE2 GLU A 82 6.355 -7.905 -10.655 1.00 0.00 O ATOM 0 H GLU A 82 4.585 -5.359 -5.506 1.00 0.00 H new ATOM 0 HA GLU A 82 4.419 -8.103 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.449 -6.295 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.142 -6.003 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.712 -8.282 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.019 -8.619 -8.414 1.00 0.00 H new ATOM 908 N GLY A 83 6.497 -9.254 -5.315 1.00 0.00 N ATOM 909 CA GLY A 83 7.738 -9.954 -5.033 1.00 0.00 C ATOM 910 C GLY A 83 7.926 -10.227 -3.555 1.00 0.00 C ATOM 911 O GLY A 83 8.752 -11.055 -3.170 1.00 0.00 O ATOM 0 H GLY A 83 5.677 -9.854 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.751 -10.898 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.577 -9.362 -5.400 1.00 0.00 H new ATOM 915 N TYR A 84 7.162 -9.528 -2.724 1.00 0.00 N ATOM 916 CA TYR A 84 7.314 -9.631 -1.276 1.00 0.00 C ATOM 917 C TYR A 84 6.224 -10.514 -0.677 1.00 0.00 C ATOM 918 O TYR A 84 5.887 -10.389 0.501 1.00 0.00 O ATOM 919 CB TYR A 84 7.280 -8.243 -0.633 1.00 0.00 C ATOM 920 CG TYR A 84 8.550 -7.445 -0.830 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.723 -8.062 -1.237 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.570 -6.075 -0.612 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.887 -7.338 -1.420 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.726 -5.341 -0.792 1.00 0.00 C ATOM 925 CZ TYR A 84 10.882 -5.976 -1.195 1.00 0.00 C ATOM 926 OH TYR A 84 12.037 -5.249 -1.377 1.00 0.00 O ATOM 0 H TYR A 84 6.431 -8.884 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 84 8.281 -10.090 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.442 -7.682 -1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.093 -8.353 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.728 -9.127 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.667 -5.574 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.793 -7.834 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.725 -4.275 -0.618 1.00 0.00 H new ATOM 0 HH TYR A 84 11.864 -4.305 -1.178 1.00 0.00 H new ATOM 936 N GLU A 85 5.677 -11.408 -1.495 1.00 0.00 N ATOM 937 CA GLU A 85 4.869 -12.512 -0.989 1.00 0.00 C ATOM 938 C GLU A 85 5.667 -13.366 -0.009 1.00 0.00 C ATOM 939 O GLU A 85 5.098 -14.005 0.876 1.00 0.00 O ATOM 940 CB GLU A 85 4.356 -13.374 -2.144 1.00 0.00 C ATOM 941 CG GLU A 85 3.282 -12.711 -2.995 1.00 0.00 C ATOM 942 CD GLU A 85 2.895 -13.578 -4.161 1.00 0.00 C ATOM 943 OE1 GLU A 85 3.493 -14.615 -4.331 1.00 0.00 O ATOM 944 OE2 GLU A 85 1.930 -13.263 -4.816 1.00 0.00 O ATOM 0 H GLU A 85 5.778 -11.390 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 85 4.015 -12.090 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.197 -13.640 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.958 -14.304 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.403 -12.509 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.645 -11.750 -3.359 1.00 0.00 H new ATOM 951 N GLU A 86 6.985 -13.370 -0.173 1.00 0.00 N ATOM 952 CA GLU A 86 7.874 -13.995 0.800 1.00 0.00 C ATOM 953 C GLU A 86 7.830 -13.252 2.132 1.00 0.00 C ATOM 954 O GLU A 86 8.262 -13.772 3.162 1.00 0.00 O ATOM 955 CB GLU A 86 9.307 -14.041 0.267 1.00 0.00 C ATOM 956 CG GLU A 86 9.963 -12.675 0.109 1.00 0.00 C ATOM 957 CD GLU A 86 11.356 -12.799 -0.443 1.00 0.00 C ATOM 958 OE1 GLU A 86 11.769 -13.899 -0.723 1.00 0.00 O ATOM 959 OE2 GLU A 86 11.969 -11.786 -0.690 1.00 0.00 O ATOM 0 H GLU A 86 7.462 -12.948 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 86 7.530 -15.016 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.913 -14.646 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.306 -14.544 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.361 -12.054 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.996 -12.171 1.075 1.00 0.00 H new ATOM 966 N HIS A 87 7.307 -12.029 2.104 1.00 0.00 N ATOM 967 CA HIS A 87 7.168 -11.230 3.317 1.00 0.00 C ATOM 968 C HIS A 87 5.709 -11.162 3.756 1.00 0.00 C ATOM 969 O HIS A 87 5.351 -10.383 4.640 1.00 0.00 O ATOM 970 CB HIS A 87 7.718 -9.816 3.102 1.00 0.00 C ATOM 971 CG HIS A 87 9.206 -9.770 2.934 1.00 0.00 C ATOM 972 ND1 HIS A 87 9.869 -8.646 2.488 1.00 0.00 N ATOM 973 CD2 HIS A 87 10.157 -10.708 3.149 1.00 0.00 C ATOM 974 CE1 HIS A 87 11.166 -8.895 2.439 1.00 0.00 C ATOM 975 NE2 HIS A 87 11.367 -10.138 2.834 1.00 0.00 N ATOM 0 H HIS A 87 6.973 -11.571 1.256 1.00 0.00 H new ATOM 0 HA HIS A 87 7.747 -11.713 4.104 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.248 -9.383 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.437 -9.193 3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.995 -11.716 3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.931 -8.199 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.274 -10.601 2.896 1.00 0.00 H new ATOM 983 N ILE A 88 4.869 -11.982 3.133 1.00 0.00 N ATOM 984 CA ILE A 88 3.433 -11.938 3.380 1.00 0.00 C ATOM 985 C ILE A 88 2.921 -13.278 3.898 1.00 0.00 C ATOM 986 O ILE A 88 3.437 -14.334 3.531 1.00 0.00 O ATOM 987 CB ILE A 88 2.651 -11.556 2.110 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.962 -10.112 1.707 1.00 0.00 C ATOM 989 CG2 ILE A 88 1.158 -11.741 2.328 1.00 0.00 C ATOM 990 CD1 ILE A 88 2.511 -9.759 0.308 1.00 0.00 C ATOM 0 H ILE A 88 5.158 -12.685 2.453 1.00 0.00 H new ATOM 0 HA ILE A 88 3.269 -11.173 4.139 1.00 0.00 H new ATOM 0 HB ILE A 88 2.963 -12.215 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.483 -9.436 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.036 -9.946 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.621 -11.466 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.952 -12.784 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.829 -11.106 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.766 -8.721 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.010 -10.410 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.432 -9.891 0.229 1.00 0.00 H new ATOM 1002 N GLY A 89 1.904 -13.228 4.753 1.00 0.00 N ATOM 1003 CA GLY A 89 1.489 -14.411 5.481 1.00 0.00 C ATOM 1004 C GLY A 89 2.249 -14.587 6.782 1.00 0.00 C ATOM 1005 O GLY A 89 2.095 -15.597 7.469 1.00 0.00 O ATOM 0 H GLY A 89 1.360 -12.389 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.422 -14.348 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.638 -15.290 4.855 1.00 0.00 H new ATOM 1009 N LYS A 90 3.074 -13.603 7.121 1.00 0.00 N ATOM 1010 CA LYS A 90 3.819 -13.624 8.375 1.00 0.00 C ATOM 1011 C LYS A 90 3.055 -12.892 9.473 1.00 0.00 C ATOM 1012 O LYS A 90 2.105 -12.159 9.196 1.00 0.00 O ATOM 1013 CB LYS A 90 5.203 -13.000 8.188 1.00 0.00 C ATOM 1014 CG LYS A 90 6.160 -13.835 7.345 1.00 0.00 C ATOM 1015 CD LYS A 90 7.448 -13.076 7.055 1.00 0.00 C ATOM 1016 CE LYS A 90 8.511 -13.993 6.472 1.00 0.00 C ATOM 1017 NZ LYS A 90 9.773 -13.261 6.173 1.00 0.00 N ATOM 0 H LYS A 90 3.244 -12.779 6.544 1.00 0.00 H new ATOM 0 HA LYS A 90 3.942 -14.664 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.087 -12.021 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.650 -12.836 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.392 -14.763 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.677 -14.109 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.244 -12.263 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.820 -12.623 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.718 -14.801 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.133 -14.453 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.472 -13.922 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.581 -12.506 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.148 -12.844 7.049 1.00 0.00 H new ATOM 1031 N GLN A 91 3.477 -13.094 10.717 1.00 0.00 N ATOM 1032 CA GLN A 91 2.790 -12.506 11.861 1.00 0.00 C ATOM 1033 C GLN A 91 3.190 -11.046 12.043 1.00 0.00 C ATOM 1034 O GLN A 91 3.688 -10.656 13.100 1.00 0.00 O ATOM 1035 CB GLN A 91 3.101 -13.294 13.137 1.00 0.00 C ATOM 1036 CG GLN A 91 4.584 -13.477 13.408 1.00 0.00 C ATOM 1037 CD GLN A 91 5.156 -14.692 12.702 1.00 0.00 C ATOM 1038 OE1 GLN A 91 4.915 -14.905 11.511 1.00 0.00 O ATOM 1039 NE2 GLN A 91 5.914 -15.499 13.434 1.00 0.00 N ATOM 0 H GLN A 91 4.291 -13.660 10.958 1.00 0.00 H new ATOM 0 HA GLN A 91 1.718 -12.552 11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.648 -12.783 13.986 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.632 -14.275 13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.122 -12.586 13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.745 -13.575 14.482 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.087 -15.284 14.416 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.323 -16.334 13.015 1.00 0.00 H new ATOM 1048 N LEU A 92 2.970 -10.243 11.009 1.00 0.00 N ATOM 1049 CA LEU A 92 3.362 -8.838 11.032 1.00 0.00 C ATOM 1050 C LEU A 92 2.150 -7.939 11.258 1.00 0.00 C ATOM 1051 O LEU A 92 1.054 -8.197 10.762 1.00 0.00 O ATOM 1052 CB LEU A 92 4.071 -8.461 9.725 1.00 0.00 C ATOM 1053 CG LEU A 92 5.352 -9.249 9.427 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.911 -8.843 8.071 1.00 0.00 C ATOM 1055 CD2 LEU A 92 6.373 -8.996 10.528 1.00 0.00 C ATOM 0 H LEU A 92 2.522 -10.541 10.143 1.00 0.00 H new ATOM 0 HA LEU A 92 4.054 -8.690 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.375 -8.604 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.315 -7.399 9.756 1.00 0.00 H new ATOM 0 HG LEU A 92 5.124 -10.315 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.821 -9.408 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.174 -9.052 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.140 -7.777 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.283 -9.556 10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.604 -7.932 10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.963 -9.319 11.485 1.00 0.00 H new ATOM 1067 N PRO A 93 2.351 -6.857 12.027 1.00 0.00 N ATOM 1068 CA PRO A 93 1.346 -5.803 12.186 1.00 0.00 C ATOM 1069 C PRO A 93 1.069 -5.063 10.881 1.00 0.00 C ATOM 1070 O PRO A 93 1.707 -5.322 9.861 1.00 0.00 O ATOM 1071 CB PRO A 93 1.950 -4.878 13.247 1.00 0.00 C ATOM 1072 CG PRO A 93 3.422 -5.066 13.111 1.00 0.00 C ATOM 1073 CD PRO A 93 3.607 -6.514 12.743 1.00 0.00 C ATOM 0 HA PRO A 93 0.375 -6.202 12.479 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.665 -3.840 13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.607 -5.143 14.247 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.833 -4.410 12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.936 -4.828 14.042 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.482 -6.658 12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.748 -7.137 13.626 1.00 0.00 H new ATOM 1081 N LEU A 94 0.113 -4.142 10.921 1.00 0.00 N ATOM 1082 CA LEU A 94 -0.253 -3.369 9.739 1.00 0.00 C ATOM 1083 C LEU A 94 0.870 -2.417 9.343 1.00 0.00 C ATOM 1084 O LEU A 94 0.969 -2.005 8.187 1.00 0.00 O ATOM 1085 CB LEU A 94 -1.551 -2.591 9.995 1.00 0.00 C ATOM 1086 CG LEU A 94 -2.809 -3.454 10.157 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -3.992 -2.583 10.554 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -3.093 -4.188 8.855 1.00 0.00 C ATOM 0 H LEU A 94 -0.423 -3.912 11.758 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.416 -4.062 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.424 -1.990 10.895 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.709 -1.898 9.169 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.647 -4.189 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.880 -3.205 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.776 -2.085 11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.169 -1.835 9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.987 -4.801 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.251 -3.464 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.245 -4.826 8.605 1.00 0.00 H new ATOM 1100 N ASN A 95 1.715 -2.071 10.309 1.00 0.00 N ATOM 1101 CA ASN A 95 2.855 -1.199 10.050 1.00 0.00 C ATOM 1102 C ASN A 95 3.943 -1.942 9.278 1.00 0.00 C ATOM 1103 O ASN A 95 4.499 -1.419 8.314 1.00 0.00 O ATOM 1104 CB ASN A 95 3.421 -0.625 11.337 1.00 0.00 C ATOM 1105 CG ASN A 95 2.541 0.417 11.970 1.00 0.00 C ATOM 1106 OD1 ASN A 95 1.692 1.026 11.310 1.00 0.00 O ATOM 1107 ND2 ASN A 95 2.796 0.684 13.226 1.00 0.00 N ATOM 0 H ASN A 95 1.632 -2.381 11.277 1.00 0.00 H new ATOM 0 HA ASN A 95 2.498 -0.369 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.579 -1.436 12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.398 -0.187 11.131 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.283 1.425 13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.507 0.151 13.726 1.00 0.00 H new ATOM 1114 N GLN A 96 4.241 -3.162 9.714 1.00 0.00 N ATOM 1115 CA GLN A 96 5.269 -3.972 9.068 1.00 0.00 C ATOM 1116 C GLN A 96 4.722 -4.644 7.814 1.00 0.00 C ATOM 1117 O GLN A 96 5.481 -5.028 6.923 1.00 0.00 O ATOM 1118 CB GLN A 96 5.802 -5.032 10.035 1.00 0.00 C ATOM 1119 CG GLN A 96 6.495 -4.465 11.262 1.00 0.00 C ATOM 1120 CD GLN A 96 7.652 -3.552 10.902 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.500 -3.898 10.076 1.00 0.00 O ATOM 1122 NE2 GLN A 96 7.696 -2.380 11.527 1.00 0.00 N ATOM 0 H GLN A 96 3.787 -3.611 10.510 1.00 0.00 H new ATOM 0 HA GLN A 96 6.086 -3.311 8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.973 -5.662 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.502 -5.675 9.501 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.772 -3.912 11.861 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.861 -5.284 11.880 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.973 -2.135 12.203 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.453 -1.725 11.330 1.00 0.00 H new ATOM 1131 N ALA A 97 3.402 -4.783 7.749 1.00 0.00 N ATOM 1132 CA ALA A 97 2.755 -5.421 6.609 1.00 0.00 C ATOM 1133 C ALA A 97 3.164 -4.752 5.301 1.00 0.00 C ATOM 1134 O ALA A 97 3.196 -3.525 5.204 1.00 0.00 O ATOM 1135 CB ALA A 97 1.243 -5.387 6.772 1.00 0.00 C ATOM 0 H ALA A 97 2.759 -4.462 8.473 1.00 0.00 H new ATOM 0 HA ALA A 97 3.081 -6.460 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.774 -5.867 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.963 -5.918 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.907 -4.352 6.838 1.00 0.00 H new ATOM 1141 N ARG A 98 3.478 -5.566 4.298 1.00 0.00 N ATOM 1142 CA ARG A 98 3.732 -5.061 2.955 1.00 0.00 C ATOM 1143 C ARG A 98 2.567 -5.385 2.022 1.00 0.00 C ATOM 1144 O ARG A 98 2.750 -5.532 0.814 1.00 0.00 O ATOM 1145 CB ARG A 98 5.054 -5.559 2.392 1.00 0.00 C ATOM 1146 CG ARG A 98 6.289 -5.075 3.138 1.00 0.00 C ATOM 1147 CD ARG A 98 7.574 -5.568 2.580 1.00 0.00 C ATOM 1148 NE ARG A 98 8.731 -5.325 3.425 1.00 0.00 N ATOM 1149 CZ ARG A 98 9.469 -4.198 3.406 1.00 0.00 C ATOM 1150 NH1 ARG A 98 9.199 -3.226 2.564 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.489 -4.104 4.243 1.00 0.00 N ATOM 0 H ARG A 98 3.562 -6.578 4.391 1.00 0.00 H new ATOM 0 HA ARG A 98 3.815 -3.977 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.047 -6.649 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.130 -5.246 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.298 -3.985 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.215 -5.387 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.490 -6.640 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.741 -5.095 1.612 1.00 0.00 H new ATOM 0 HE ARG A 98 9.004 -6.059 4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.420 -3.318 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.768 -2.379 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.699 -4.873 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.066 -3.263 4.252 1.00 0.00 H new ATOM 1165 N ALA A 99 1.373 -5.497 2.593 1.00 0.00 N ATOM 1166 CA ALA A 99 0.170 -5.738 1.806 1.00 0.00 C ATOM 1167 C ALA A 99 -1.083 -5.353 2.586 1.00 0.00 C ATOM 1168 O ALA A 99 -1.150 -5.540 3.800 1.00 0.00 O ATOM 1169 CB ALA A 99 0.102 -7.197 1.378 1.00 0.00 C ATOM 0 H ALA A 99 1.213 -5.425 3.598 1.00 0.00 H new ATOM 0 HA ALA A 99 0.217 -5.112 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.802 -7.362 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.976 -7.440 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.082 -7.835 2.262 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.071 -4.816 1.881 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.298 -4.347 2.516 1.00 0.00 C ATOM 1177 C TRP A 100 -4.513 -4.650 1.649 1.00 0.00 C ATOM 1178 O TRP A 100 -4.376 -5.037 0.487 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.214 -2.845 2.797 1.00 0.00 C ATOM 1180 CG TRP A 100 -2.055 -2.463 3.668 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -2.072 -2.304 5.022 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.713 -2.192 3.247 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.823 -1.950 5.471 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.030 -1.876 4.398 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.067 -2.187 2.004 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.377 -1.558 4.349 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.284 -1.869 1.955 1.00 0.00 C ATOM 1188 CH2 TRP A 100 1.987 -1.564 3.094 1.00 0.00 C ATOM 0 H TRP A 100 -2.047 -4.694 0.869 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.411 -4.878 3.461 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.139 -2.310 1.850 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.139 -2.520 3.274 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.941 -2.437 5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.571 -1.771 6.443 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.609 -2.426 1.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.931 -1.316 5.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.792 -1.862 1.002 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.037 -1.323 3.017 1.00 0.00 H new ATOM 1199 N SER A 101 -5.700 -4.475 2.217 1.00 0.00 N ATOM 1200 CA SER A 101 -6.940 -4.682 1.479 1.00 0.00 C ATOM 1201 C SER A 101 -7.435 -3.373 0.871 1.00 0.00 C ATOM 1202 O SER A 101 -7.140 -2.291 1.375 1.00 0.00 O ATOM 1203 CB SER A 101 -7.998 -5.278 2.388 1.00 0.00 C ATOM 1204 OG SER A 101 -9.232 -5.415 1.739 1.00 0.00 O ATOM 0 H SER A 101 -5.830 -4.190 3.188 1.00 0.00 H new ATOM 0 HA SER A 101 -6.743 -5.380 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.664 -6.254 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.119 -4.645 3.267 1.00 0.00 H new ATOM 0 HG SER A 101 -9.781 -6.072 2.216 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.188 -3.483 -0.218 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.004 -2.372 -0.697 1.00 0.00 C ATOM 1212 C TRP A 102 -9.967 -1.898 0.385 1.00 0.00 C ATOM 1213 O TRP A 102 -10.270 -0.708 0.479 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.784 -2.787 -1.946 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.212 -2.232 -3.216 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.912 -2.928 -4.352 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.871 -0.867 -3.477 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -8.405 -2.076 -5.304 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -8.369 -0.807 -4.792 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.940 0.311 -2.727 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.941 0.384 -5.371 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -8.515 1.492 -3.305 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -8.020 1.523 -4.615 1.00 0.00 C ATOM 0 H TRP A 102 -8.251 -4.328 -0.785 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.338 -1.547 -0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.802 -3.875 -2.009 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.818 -2.456 -1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -9.052 -3.991 -4.483 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.104 -2.346 -6.241 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.318 0.298 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -7.560 0.409 -6.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.565 2.409 -2.736 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.695 2.463 -5.037 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.444 -2.834 1.199 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.359 -2.506 2.285 1.00 0.00 C ATOM 1236 C GLU A 103 -10.643 -1.721 3.382 1.00 0.00 C ATOM 1237 O GLU A 103 -11.206 -0.791 3.961 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.980 -3.780 2.866 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.965 -4.478 1.939 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.456 -5.767 2.537 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.992 -6.126 3.592 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.374 -6.338 1.996 1.00 0.00 O ATOM 0 H GLU A 103 -10.212 -3.825 1.127 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.155 -1.881 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.181 -4.477 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.490 -3.530 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.811 -3.820 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.487 -4.678 0.980 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.402 -2.101 3.658 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.558 -1.346 4.577 1.00 0.00 C ATOM 1251 C PHE A 104 -8.288 0.057 4.040 1.00 0.00 C ATOM 1252 O PHE A 104 -8.373 1.042 4.777 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.239 -2.081 4.822 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.306 -1.358 5.750 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.498 -1.399 7.123 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.233 -0.634 5.253 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.639 -0.734 7.977 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.371 0.031 6.105 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.576 -0.020 7.468 1.00 0.00 C ATOM 0 H PHE A 104 -8.957 -2.927 3.259 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.089 -1.255 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.454 -3.067 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.738 -2.237 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.329 -1.957 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.069 -0.589 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.801 -0.774 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.538 0.590 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.904 0.499 8.136 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.962 0.141 2.755 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.735 1.425 2.106 1.00 0.00 C ATOM 1271 C ILE A 105 -8.962 2.325 2.226 1.00 0.00 C ATOM 1272 O ILE A 105 -8.846 3.513 2.528 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.379 1.250 0.619 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.011 0.579 0.472 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.394 2.596 -0.092 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.706 0.114 -0.933 1.00 0.00 C ATOM 0 H ILE A 105 -7.849 -0.667 2.142 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.894 1.894 2.617 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.128 0.608 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.238 1.279 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.962 -0.276 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.140 2.455 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.388 3.037 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.665 3.260 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.720 -0.351 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.457 -0.611 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.721 0.968 -1.610 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.136 1.751 1.990 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.386 2.496 2.082 1.00 0.00 C ATOM 1290 C LYS A 106 -11.667 2.907 3.525 1.00 0.00 C ATOM 1291 O LYS A 106 -12.239 3.968 3.776 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.547 1.668 1.532 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.540 1.502 0.018 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.640 0.556 -0.439 1.00 0.00 C ATOM 1295 CE LYS A 106 -15.017 1.180 -0.266 1.00 0.00 C ATOM 1296 NZ LYS A 106 -16.100 0.286 -0.756 1.00 0.00 N ATOM 0 H LYS A 106 -10.248 0.770 1.733 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.286 3.399 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.524 0.681 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.485 2.137 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.673 2.474 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.571 1.119 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.486 0.296 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.585 -0.371 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.183 1.406 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.056 2.126 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.021 0.749 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.957 0.090 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.080 -0.608 -0.224 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.261 2.063 4.466 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.440 2.356 5.884 1.00 0.00 C ATOM 1312 C ASN A 107 -10.684 3.622 6.276 1.00 0.00 C ATOM 1313 O ASN A 107 -11.238 4.513 6.920 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.003 1.191 6.752 1.00 0.00 C ATOM 1315 CG ASN A 107 -11.987 0.054 6.778 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.168 0.221 6.455 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.526 -1.079 7.242 1.00 0.00 N ATOM 0 H ASN A 107 -10.806 1.171 4.274 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.505 2.519 6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.043 0.821 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.846 1.547 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.151 -1.877 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.541 -1.164 7.494 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.417 3.696 5.883 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.595 4.866 6.168 1.00 0.00 C ATOM 1326 C ARG A 108 -8.979 6.034 5.266 1.00 0.00 C ATOM 1327 O ARG A 108 -8.853 7.198 5.650 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.107 4.558 6.081 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.568 3.685 7.204 1.00 0.00 C ATOM 1330 CD ARG A 108 -5.112 3.408 7.118 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.264 4.566 7.359 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.021 5.098 8.572 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.586 4.607 9.653 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.217 6.144 8.644 1.00 0.00 N ATOM 0 H ARG A 108 -8.937 2.959 5.366 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.793 5.158 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.908 4.065 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.556 5.498 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.778 4.169 8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.107 2.738 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.859 2.631 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.888 3.009 6.129 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.822 5.006 6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.219 3.811 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.391 5.022 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.800 6.526 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.013 6.569 9.548 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.451 5.718 4.065 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.916 6.738 3.131 1.00 0.00 C ATOM 1350 C LEU A 109 -11.165 7.433 3.664 1.00 0.00 C ATOM 1351 O LEU A 109 -11.271 8.659 3.624 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.192 6.116 1.759 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.629 7.104 0.669 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.553 8.162 0.465 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -10.894 6.349 -0.625 1.00 0.00 C ATOM 0 H LEU A 109 -9.522 4.763 3.715 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.132 7.487 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.291 5.604 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.967 5.357 1.871 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.547 7.604 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.871 8.859 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.394 8.704 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.623 7.681 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.204 7.051 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.984 5.839 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.684 5.615 -0.463 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.107 6.642 4.166 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.283 7.184 4.835 1.00 0.00 C ATOM 1369 C LYS A 110 -12.883 8.024 6.044 1.00 0.00 C ATOM 1370 O LYS A 110 -13.516 9.036 6.345 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.223 6.055 5.263 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.962 5.382 4.114 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.865 4.265 4.615 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.593 3.584 3.466 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.460 2.470 3.939 1.00 0.00 N ATOM 0 H LYS A 110 -12.079 5.623 4.122 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.807 7.828 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.646 5.301 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.955 6.454 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.558 6.122 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.242 4.978 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.271 3.530 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.592 4.670 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.201 4.317 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.865 3.199 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.938 2.033 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.877 1.757 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.172 2.841 4.600 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.828 7.599 6.732 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.299 8.354 7.860 1.00 0.00 C ATOM 1391 C GLU A 111 -10.571 9.608 7.384 1.00 0.00 C ATOM 1392 O GLU A 111 -10.477 10.598 8.110 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.356 7.483 8.695 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.059 6.424 9.534 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.066 5.527 10.223 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.891 5.695 10.004 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.476 4.751 11.053 1.00 0.00 O ATOM 0 H GLU A 111 -11.324 6.736 6.528 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.139 8.660 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.649 6.990 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.775 8.127 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.693 6.907 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.712 5.827 8.898 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.060 9.558 6.160 1.00 0.00 N ATOM 1405 CA LEU A 112 -9.340 10.689 5.583 1.00 0.00 C ATOM 1406 C LEU A 112 -10.267 11.887 5.400 1.00 0.00 C ATOM 1407 O LEU A 112 -9.861 13.033 5.585 1.00 0.00 O ATOM 1408 CB LEU A 112 -8.709 10.292 4.244 1.00 0.00 C ATOM 1409 CG LEU A 112 -7.813 11.359 3.602 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -6.604 11.628 4.488 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.375 10.893 2.221 1.00 0.00 C ATOM 0 H LEU A 112 -10.130 8.746 5.546 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.546 10.976 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.120 9.387 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.507 10.042 3.545 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.373 12.288 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.974 12.387 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.939 11.982 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.032 10.708 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.739 11.652 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.819 9.960 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.253 10.733 1.595 1.00 0.00 H new ATOM 1423 N ASN A 113 -11.516 11.612 5.038 1.00 0.00 N ATOM 1424 CA ASN A 113 -12.517 12.661 4.890 1.00 0.00 C ATOM 1425 C ASN A 113 -13.688 12.437 5.843 1.00 0.00 C ATOM 1426 O ASN A 113 -14.848 12.625 5.475 1.00 0.00 O ATOM 1427 CB ASN A 113 -13.013 12.759 3.458 1.00 0.00 C ATOM 1428 CG ASN A 113 -11.961 13.205 2.482 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -11.519 14.359 2.501 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -11.620 12.323 1.578 1.00 0.00 N ATOM 0 H ASN A 113 -11.859 10.671 4.842 1.00 0.00 H new ATOM 0 HA ASN A 113 -12.037 13.606 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.394 11.786 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -13.850 13.456 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.959 12.575 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -12.015 11.383 1.608 1.00 0.00 H new ATOM 1437 N LEU A 114 -13.376 12.034 7.069 1.00 0.00 N ATOM 1438 CA LEU A 114 -14.400 11.747 8.066 1.00 0.00 C ATOM 1439 C LEU A 114 -14.982 13.036 8.634 1.00 0.00 C ATOM 1440 O LEU A 114 -14.787 13.355 9.808 1.00 0.00 O ATOM 1441 CB LEU A 114 -13.821 10.879 9.189 1.00 0.00 C ATOM 1442 CG LEU A 114 -14.826 10.450 10.267 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -15.878 9.528 9.665 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -14.088 9.758 11.403 1.00 0.00 C ATOM 1445 OXT LEU A 114 -15.642 13.757 7.936 1.00 0.00 O ATOM 0 H LEU A 114 -12.420 11.898 7.397 1.00 0.00 H new ATOM 0 HA LEU A 114 -15.206 11.197 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -13.383 9.984 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -13.010 11.427 9.668 1.00 0.00 H new ATOM 0 HG LEU A 114 -15.332 11.330 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -16.586 9.230 10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -16.409 10.052 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -15.393 8.642 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.802 9.453 12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.571 8.879 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -13.362 10.445 11.837 1.00 0.00 H new TER 1457 LEU A 114