USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 874 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 86 GLN :FLIP amide:sc= 0 F(o=0.55,f=1.1) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= 1.1 F(o=-0.43,f=1.1) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -3.16 K(o=-5,f=-5.8) USER MOD Set 2.2: A 51 GLN : amide:sc= -1.86 K(o=-5,f=-8.7) USER MOD Set 3.1: A 0 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 GLN :FLIP amide:sc= -0.407 F(o=-1.9,f=-0.41) USER MOD Single : A 5 SER OG : rot -76:sc= 0.806 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 77:sc= 0.307 USER MOD Single : A 13 THR OG1 : rot -52:sc= 0.418 USER MOD Single : A 15 GLN :FLIP amide:sc= -5.56! C(o=-6.1!,f=-5.6!) USER MOD Single : A 16 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.5) USER MOD Single : A 19 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 22 SER OG : rot 47:sc= 1.16 USER MOD Single : A 31 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 38 ASN :FLIP amide:sc= -2.92 F(o=-4.7!,f=-2.9) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.22 (180deg=-1.57) USER MOD Single : A 54 THR OG1 : rot -85:sc= 1.4 USER MOD Single : A 55 ASN : amide:sc= -0.217 K(o=-0.22,f=-5.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.74! C(o=-3.4!,f=-1.7!) USER MOD Single : A 74 GLN : amide:sc= -1.32 K(o=-1.3,f=-7.4!) USER MOD Single : A 79 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.73) USER MOD Single : A 90 GLN : amide:sc= -0.0914 K(o=-0.091,f=-0.71) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0187 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 1.897 -1.525 1.744 1.00 0.00 N ATOM 2 CA GLY A -1 2.041 -2.840 1.147 1.00 0.00 C ATOM 3 C GLY A -1 1.543 -2.885 -0.284 1.00 0.00 C ATOM 4 O GLY A -1 0.341 -2.995 -0.527 1.00 0.00 O ATOM 0 H1 GLY A -1 2.251 -1.547 2.721 1.00 0.00 H new ATOM 0 H2 GLY A -1 2.443 -0.832 1.193 1.00 0.00 H new ATOM 0 H3 GLY A -1 0.893 -1.253 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.090 -3.134 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A -1 1.491 -3.568 1.743 1.00 0.00 H new ATOM 8 N SER A 0 2.468 -2.798 -1.234 1.00 0.00 N ATOM 9 CA SER A 0 2.116 -2.824 -2.649 1.00 0.00 C ATOM 10 C SER A 0 2.991 -3.818 -3.408 1.00 0.00 C ATOM 11 O SER A 0 3.204 -3.680 -4.612 1.00 0.00 O ATOM 12 CB SER A 0 2.263 -1.428 -3.258 1.00 0.00 C ATOM 13 OG SER A 0 1.090 -0.659 -3.060 1.00 0.00 O ATOM 0 H SER A 0 3.467 -2.709 -1.050 1.00 0.00 H new ATOM 0 HA SER A 0 1.077 -3.142 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 0 3.115 -0.919 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.470 -1.513 -4.325 1.00 0.00 H new ATOM 0 HG SER A 0 1.210 0.229 -3.457 1.00 0.00 H new ATOM 19 N ALA A 1 3.494 -4.819 -2.694 1.00 0.00 N ATOM 20 CA ALA A 1 4.343 -5.838 -3.299 1.00 0.00 C ATOM 21 C ALA A 1 3.523 -7.044 -3.742 1.00 0.00 C ATOM 22 O ALA A 1 3.723 -7.575 -4.835 1.00 0.00 O ATOM 23 CB ALA A 1 5.430 -6.265 -2.325 1.00 0.00 C ATOM 0 H ALA A 1 3.328 -4.946 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 1 4.812 -5.407 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.057 -7.026 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.042 -5.402 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.972 -6.673 -1.424 1.00 0.00 H new ATOM 29 N ARG A 2 2.600 -7.473 -2.888 1.00 0.00 N ATOM 30 CA ARG A 2 1.750 -8.618 -3.191 1.00 0.00 C ATOM 31 C ARG A 2 0.842 -8.321 -4.380 1.00 0.00 C ATOM 32 O ARG A 2 0.515 -9.214 -5.161 1.00 0.00 O ATOM 33 CB ARG A 2 0.906 -8.992 -1.971 1.00 0.00 C ATOM 34 CG ARG A 2 -0.082 -10.116 -2.235 1.00 0.00 C ATOM 35 CD ARG A 2 0.626 -11.388 -2.673 1.00 0.00 C ATOM 36 NE ARG A 2 0.046 -12.578 -2.054 1.00 0.00 N ATOM 37 CZ ARG A 2 0.149 -12.856 -0.759 1.00 0.00 C ATOM 38 NH1 ARG A 2 0.804 -12.035 0.049 1.00 0.00 N ATOM 39 NH2 ARG A 2 -0.406 -13.958 -0.271 1.00 0.00 N ATOM 0 H ARG A 2 2.422 -7.044 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 2 2.394 -9.459 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.569 -9.286 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.360 -8.111 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.661 -10.313 -1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.788 -9.808 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.569 -11.479 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.683 -11.323 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.466 -13.230 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.231 -11.187 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.881 -12.251 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.912 -14.592 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.327 -14.172 0.723 1.00 0.00 H new ATOM 53 N GLN A 3 0.437 -7.062 -4.509 1.00 0.00 N ATOM 54 CA GLN A 3 -0.435 -6.648 -5.602 1.00 0.00 C ATOM 55 C GLN A 3 0.258 -6.826 -6.949 1.00 0.00 C ATOM 56 O GLN A 3 -0.362 -7.242 -7.928 1.00 0.00 O ATOM 57 CB GLN A 3 -0.859 -5.190 -5.421 1.00 0.00 C ATOM 58 CG GLN A 3 0.300 -4.253 -5.122 1.00 0.00 C ATOM 59 CD GLN A 3 -0.108 -2.793 -5.144 1.00 0.00 C ATOM 60 OE1 GLN A 3 0.607 -1.990 -5.923 1.00 0.00 O flip ATOM 61 NE2 GLN A 3 -1.056 -2.391 -4.469 1.00 0.00 N flip ATOM 0 H GLN A 3 0.699 -6.311 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.322 -7.281 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.365 -4.852 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.584 -5.129 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.715 -4.495 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.092 -4.416 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.578 -3.043 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.319 -1.406 -4.495 1.00 0.00 H new ATOM 70 N LEU A 4 1.547 -6.507 -6.991 1.00 0.00 N ATOM 71 CA LEU A 4 2.325 -6.630 -8.219 1.00 0.00 C ATOM 72 C LEU A 4 3.018 -7.987 -8.290 1.00 0.00 C ATOM 73 O LEU A 4 3.591 -8.350 -9.317 1.00 0.00 O ATOM 74 CB LEU A 4 3.364 -5.510 -8.302 1.00 0.00 C ATOM 75 CG LEU A 4 2.882 -4.117 -7.896 1.00 0.00 C ATOM 76 CD1 LEU A 4 3.911 -3.064 -8.279 1.00 0.00 C ATOM 77 CD2 LEU A 4 1.537 -3.809 -8.536 1.00 0.00 C ATOM 0 H LEU A 4 2.075 -6.162 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 4 1.641 -6.546 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.210 -5.779 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.735 -5.460 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 4 2.758 -4.098 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.551 -2.079 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.853 -3.274 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.068 -3.084 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.210 -2.814 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.633 -3.847 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.802 -4.546 -8.211 1.00 0.00 H new ATOM 89 N SER A 5 2.958 -8.735 -7.192 1.00 0.00 N ATOM 90 CA SER A 5 3.581 -10.052 -7.130 1.00 0.00 C ATOM 91 C SER A 5 2.947 -11.001 -8.142 1.00 0.00 C ATOM 92 O SER A 5 3.495 -12.060 -8.446 1.00 0.00 O ATOM 93 CB SER A 5 3.455 -10.632 -5.720 1.00 0.00 C ATOM 94 OG SER A 5 2.154 -11.148 -5.495 1.00 0.00 O ATOM 0 H SER A 5 2.485 -8.451 -6.334 1.00 0.00 H new ATOM 0 HA SER A 5 4.637 -9.940 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.192 -11.423 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.675 -9.859 -4.984 1.00 0.00 H new ATOM 0 HG SER A 5 1.529 -10.407 -5.350 1.00 0.00 H new ATOM 100 N LYS A 6 1.786 -10.614 -8.660 1.00 0.00 N ATOM 101 CA LYS A 6 1.075 -11.428 -9.638 1.00 0.00 C ATOM 102 C LYS A 6 2.014 -11.887 -10.749 1.00 0.00 C ATOM 103 O LYS A 6 1.835 -12.963 -11.322 1.00 0.00 O ATOM 104 CB LYS A 6 -0.093 -10.640 -10.236 1.00 0.00 C ATOM 105 CG LYS A 6 -1.161 -11.517 -10.865 1.00 0.00 C ATOM 106 CD LYS A 6 -2.100 -10.709 -11.745 1.00 0.00 C ATOM 107 CE LYS A 6 -1.482 -10.425 -13.106 1.00 0.00 C ATOM 108 NZ LYS A 6 -2.514 -10.335 -14.175 1.00 0.00 N ATOM 0 H LYS A 6 1.317 -9.741 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 6 0.687 -12.309 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.548 -10.032 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.292 -9.953 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.688 -12.299 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.733 -12.014 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.036 -11.252 -11.875 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.344 -9.768 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.921 -9.491 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.770 -11.213 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.053 -10.141 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.032 -11.235 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.179 -9.567 -13.952 1.00 0.00 H new ATOM 122 N LEU A 7 3.015 -11.066 -11.049 1.00 0.00 N ATOM 123 CA LEU A 7 3.983 -11.389 -12.091 1.00 0.00 C ATOM 124 C LEU A 7 5.198 -12.100 -11.503 1.00 0.00 C ATOM 125 O LEU A 7 5.847 -12.903 -12.175 1.00 0.00 O ATOM 126 CB LEU A 7 4.424 -10.117 -12.816 1.00 0.00 C ATOM 127 CG LEU A 7 4.800 -10.281 -14.290 1.00 0.00 C ATOM 128 CD1 LEU A 7 4.993 -8.922 -14.945 1.00 0.00 C ATOM 129 CD2 LEU A 7 6.058 -11.125 -14.428 1.00 0.00 C ATOM 0 H LEU A 7 3.177 -10.172 -10.585 1.00 0.00 H new ATOM 0 HA LEU A 7 3.503 -12.059 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.619 -9.385 -12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.281 -9.700 -12.287 1.00 0.00 H new ATOM 0 HG LEU A 7 3.984 -10.795 -14.799 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.260 -9.058 -15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.067 -8.351 -14.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.790 -8.382 -14.434 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.311 -11.231 -15.483 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.881 -10.639 -13.905 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.884 -12.110 -13.995 1.00 0.00 H new ATOM 141 N LYS A 8 5.501 -11.801 -10.244 1.00 0.00 N ATOM 142 CA LYS A 8 6.635 -12.413 -9.563 1.00 0.00 C ATOM 143 C LYS A 8 6.651 -13.923 -9.782 1.00 0.00 C ATOM 144 O LYS A 8 7.608 -14.470 -10.330 1.00 0.00 O ATOM 145 CB LYS A 8 6.585 -12.105 -8.065 1.00 0.00 C ATOM 146 CG LYS A 8 7.869 -12.447 -7.330 1.00 0.00 C ATOM 147 CD LYS A 8 7.603 -12.793 -5.874 1.00 0.00 C ATOM 148 CE LYS A 8 7.883 -14.260 -5.590 1.00 0.00 C ATOM 149 NZ LYS A 8 7.576 -14.621 -4.178 1.00 0.00 N ATOM 0 H LYS A 8 4.976 -11.138 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 8 7.549 -11.992 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.369 -11.046 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.761 -12.659 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.358 -13.288 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.556 -11.603 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.227 -12.171 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.566 -12.565 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.288 -14.880 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.930 -14.477 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.780 -15.629 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.162 -14.048 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.571 -14.438 -3.984 1.00 0.00 H new ATOM 163 N ARG A 9 5.585 -14.590 -9.351 1.00 0.00 N ATOM 164 CA ARG A 9 5.478 -16.036 -9.500 1.00 0.00 C ATOM 165 C ARG A 9 5.800 -16.461 -10.929 1.00 0.00 C ATOM 166 O ARG A 9 6.733 -17.229 -11.164 1.00 0.00 O ATOM 167 CB ARG A 9 4.071 -16.505 -9.122 1.00 0.00 C ATOM 168 CG ARG A 9 3.590 -15.970 -7.783 1.00 0.00 C ATOM 169 CD ARG A 9 2.264 -16.595 -7.377 1.00 0.00 C ATOM 170 NE ARG A 9 2.451 -17.837 -6.632 1.00 0.00 N ATOM 171 CZ ARG A 9 1.482 -18.721 -6.423 1.00 0.00 C ATOM 172 NH1 ARG A 9 0.265 -18.502 -6.901 1.00 0.00 N ATOM 173 NH2 ARG A 9 1.730 -19.828 -5.734 1.00 0.00 N ATOM 0 H ARG A 9 4.784 -14.152 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 9 6.202 -16.500 -8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.373 -16.195 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.055 -17.595 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.339 -16.174 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.481 -14.887 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.701 -15.888 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.668 -16.793 -8.268 1.00 0.00 H new ATOM 0 HE ARG A 9 3.376 -18.036 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.071 -17.653 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.477 -19.183 -6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.665 -20.000 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.985 -20.507 -5.574 1.00 0.00 H new ATOM 187 N PHE A 10 5.021 -15.957 -11.881 1.00 0.00 N ATOM 188 CA PHE A 10 5.223 -16.285 -13.287 1.00 0.00 C ATOM 189 C PHE A 10 6.684 -16.098 -13.686 1.00 0.00 C ATOM 190 O PHE A 10 7.292 -16.982 -14.292 1.00 0.00 O ATOM 191 CB PHE A 10 4.327 -15.414 -14.170 1.00 0.00 C ATOM 192 CG PHE A 10 4.689 -15.463 -15.627 1.00 0.00 C ATOM 193 CD1 PHE A 10 5.090 -16.652 -16.214 1.00 0.00 C ATOM 194 CD2 PHE A 10 4.629 -14.321 -16.408 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.425 -16.701 -17.554 1.00 0.00 C ATOM 196 CE2 PHE A 10 4.962 -14.363 -17.749 1.00 0.00 C ATOM 197 CZ PHE A 10 5.360 -15.555 -18.323 1.00 0.00 C ATOM 0 H PHE A 10 4.244 -15.320 -11.704 1.00 0.00 H new ATOM 0 HA PHE A 10 4.957 -17.332 -13.431 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.292 -15.734 -14.050 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.384 -14.382 -13.825 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.141 -17.551 -15.618 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.318 -13.387 -15.964 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.737 -17.634 -17.999 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.911 -13.465 -18.347 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.620 -15.591 -19.371 1.00 0.00 H new ATOM 207 N LEU A 11 7.242 -14.943 -13.341 1.00 0.00 N ATOM 208 CA LEU A 11 8.632 -14.638 -13.662 1.00 0.00 C ATOM 209 C LEU A 11 9.570 -15.683 -13.066 1.00 0.00 C ATOM 210 O LEU A 11 10.463 -16.191 -13.744 1.00 0.00 O ATOM 211 CB LEU A 11 9.003 -13.248 -13.144 1.00 0.00 C ATOM 212 CG LEU A 11 9.735 -12.337 -14.130 1.00 0.00 C ATOM 213 CD1 LEU A 11 11.111 -12.897 -14.453 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.917 -12.161 -15.401 1.00 0.00 C ATOM 0 H LEU A 11 6.753 -14.202 -12.839 1.00 0.00 H new ATOM 0 HA LEU A 11 8.741 -14.655 -14.746 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.090 -12.745 -12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.627 -13.367 -12.258 1.00 0.00 H new ATOM 0 HG LEU A 11 9.863 -11.359 -13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.617 -12.236 -15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.698 -12.971 -13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.006 -13.887 -14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.453 -11.510 -16.091 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.757 -13.133 -15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.954 -11.714 -15.155 1.00 0.00 H new ATOM 226 N THR A 12 9.360 -16.001 -11.792 1.00 0.00 N ATOM 227 CA THR A 12 10.185 -16.986 -11.105 1.00 0.00 C ATOM 228 C THR A 12 10.216 -18.306 -11.866 1.00 0.00 C ATOM 229 O THR A 12 11.285 -18.852 -12.142 1.00 0.00 O ATOM 230 CB THR A 12 9.677 -17.244 -9.673 1.00 0.00 C ATOM 231 OG1 THR A 12 9.278 -16.010 -9.066 1.00 0.00 O ATOM 232 CG2 THR A 12 10.754 -17.907 -8.828 1.00 0.00 C ATOM 0 H THR A 12 8.625 -15.590 -11.216 1.00 0.00 H new ATOM 0 HA THR A 12 11.193 -16.574 -11.057 1.00 0.00 H new ATOM 0 HB THR A 12 8.819 -17.914 -9.730 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.403 -15.741 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.372 -18.079 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.034 -18.860 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.628 -17.258 -8.778 1.00 0.00 H new ATOM 240 N THR A 13 9.036 -18.816 -12.205 1.00 0.00 N ATOM 241 CA THR A 13 8.928 -20.073 -12.935 1.00 0.00 C ATOM 242 C THR A 13 9.457 -19.930 -14.357 1.00 0.00 C ATOM 243 O THR A 13 10.084 -20.846 -14.892 1.00 0.00 O ATOM 244 CB THR A 13 7.470 -20.568 -12.989 1.00 0.00 C ATOM 245 OG1 THR A 13 6.770 -19.913 -14.053 1.00 0.00 O ATOM 246 CG2 THR A 13 6.759 -20.304 -11.670 1.00 0.00 C ATOM 0 H THR A 13 8.142 -18.378 -11.986 1.00 0.00 H new ATOM 0 HA THR A 13 9.532 -20.804 -12.397 1.00 0.00 H new ATOM 0 HB THR A 13 7.481 -21.643 -13.169 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.883 -18.943 -13.970 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.731 -20.662 -11.733 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.277 -20.827 -10.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.758 -19.233 -11.465 1.00 0.00 H new ATOM 254 N LEU A 14 9.203 -18.777 -14.965 1.00 0.00 N ATOM 255 CA LEU A 14 9.655 -18.514 -16.327 1.00 0.00 C ATOM 256 C LEU A 14 11.179 -18.521 -16.405 1.00 0.00 C ATOM 257 O LEU A 14 11.759 -19.085 -17.332 1.00 0.00 O ATOM 258 CB LEU A 14 9.114 -17.169 -16.814 1.00 0.00 C ATOM 259 CG LEU A 14 9.668 -16.665 -18.147 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.535 -16.282 -19.086 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.602 -15.485 -17.925 1.00 0.00 C ATOM 0 H LEU A 14 8.686 -18.009 -14.537 1.00 0.00 H new ATOM 0 HA LEU A 14 9.273 -19.306 -16.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.030 -17.246 -16.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.321 -16.419 -16.051 1.00 0.00 H new ATOM 0 HG LEU A 14 10.238 -17.471 -18.609 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.949 -15.926 -20.029 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.906 -17.153 -19.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.937 -15.493 -18.631 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.987 -15.140 -18.885 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.056 -14.675 -17.440 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.433 -15.793 -17.291 1.00 0.00 H new ATOM 273 N GLN A 15 11.819 -17.892 -15.425 1.00 0.00 N ATOM 274 CA GLN A 15 13.275 -17.827 -15.383 1.00 0.00 C ATOM 275 C GLN A 15 13.864 -19.139 -14.874 1.00 0.00 C ATOM 276 O GLN A 15 14.949 -19.544 -15.289 1.00 0.00 O ATOM 277 CB GLN A 15 13.730 -16.670 -14.492 1.00 0.00 C ATOM 278 CG GLN A 15 15.240 -16.580 -14.335 1.00 0.00 C ATOM 279 CD GLN A 15 15.665 -16.359 -12.897 1.00 0.00 C ATOM 280 OE1 GLN A 15 14.904 -15.547 -12.172 1.00 0.00 O flip ATOM 281 NE2 GLN A 15 16.666 -16.912 -12.441 1.00 0.00 N flip ATOM 0 H GLN A 15 11.353 -17.420 -14.650 1.00 0.00 H new ATOM 0 HA GLN A 15 13.635 -17.658 -16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.360 -15.734 -14.910 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.277 -16.781 -13.507 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.695 -17.498 -14.708 1.00 0.00 H new ATOM 0 HG3 GLN A 15 15.618 -15.764 -14.951 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.222 -17.528 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.939 -16.754 -11.471 1.00 0.00 H new ATOM 290 N GLN A 16 13.141 -19.796 -13.973 1.00 0.00 N ATOM 291 CA GLN A 16 13.593 -21.061 -13.407 1.00 0.00 C ATOM 292 C GLN A 16 13.504 -22.182 -14.438 1.00 0.00 C ATOM 293 O GLN A 16 14.506 -22.815 -14.769 1.00 0.00 O ATOM 294 CB GLN A 16 12.761 -21.419 -12.175 1.00 0.00 C ATOM 295 CG GLN A 16 12.722 -22.910 -11.878 1.00 0.00 C ATOM 296 CD GLN A 16 14.106 -23.511 -11.729 1.00 0.00 C ATOM 297 OE1 GLN A 16 14.914 -23.046 -10.924 1.00 0.00 O ATOM 298 NE2 GLN A 16 14.387 -24.550 -12.506 1.00 0.00 N ATOM 0 H GLN A 16 12.240 -19.473 -13.620 1.00 0.00 H new ATOM 0 HA GLN A 16 14.636 -20.945 -13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.166 -20.895 -11.309 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.742 -21.059 -12.318 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.156 -23.080 -10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.192 -23.423 -12.680 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.687 -24.903 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.303 -24.996 -12.450 1.00 0.00 H new ATOM 307 N PHE A 17 12.298 -22.421 -14.942 1.00 0.00 N ATOM 308 CA PHE A 17 12.078 -23.466 -15.935 1.00 0.00 C ATOM 309 C PHE A 17 12.500 -22.995 -17.324 1.00 0.00 C ATOM 310 O PHE A 17 12.543 -23.779 -18.271 1.00 0.00 O ATOM 311 CB PHE A 17 10.605 -23.881 -15.951 1.00 0.00 C ATOM 312 CG PHE A 17 10.375 -25.293 -15.494 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.614 -26.359 -16.347 1.00 0.00 C ATOM 314 CD2 PHE A 17 9.921 -25.555 -14.212 1.00 0.00 C ATOM 315 CE1 PHE A 17 10.404 -27.660 -15.929 1.00 0.00 C ATOM 316 CE2 PHE A 17 9.709 -26.853 -13.788 1.00 0.00 C ATOM 317 CZ PHE A 17 9.950 -27.907 -14.648 1.00 0.00 C ATOM 0 H PHE A 17 11.458 -21.905 -14.679 1.00 0.00 H new ATOM 0 HA PHE A 17 12.689 -24.327 -15.662 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.038 -23.204 -15.312 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.215 -23.767 -16.962 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.968 -26.171 -17.350 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.730 -24.735 -13.536 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.595 -28.482 -16.603 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.355 -27.043 -12.785 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.784 -28.922 -14.319 1.00 0.00 H new ATOM 327 N GLY A 18 12.811 -21.707 -17.436 1.00 0.00 N ATOM 328 CA GLY A 18 13.226 -21.153 -18.712 1.00 0.00 C ATOM 329 C GLY A 18 14.425 -21.873 -19.295 1.00 0.00 C ATOM 330 O GLY A 18 14.625 -21.878 -20.509 1.00 0.00 O ATOM 0 H GLY A 18 12.783 -21.038 -16.667 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.396 -21.208 -19.416 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.466 -20.097 -18.585 1.00 0.00 H new ATOM 334 N ASN A 19 15.227 -22.483 -18.427 1.00 0.00 N ATOM 335 CA ASN A 19 16.414 -23.208 -18.863 1.00 0.00 C ATOM 336 C ASN A 19 16.060 -24.633 -19.277 1.00 0.00 C ATOM 337 O ASN A 19 16.856 -25.321 -19.916 1.00 0.00 O ATOM 338 CB ASN A 19 17.460 -23.234 -17.747 1.00 0.00 C ATOM 339 CG ASN A 19 18.589 -24.205 -18.034 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.704 -25.249 -17.392 1.00 0.00 O ATOM 341 ND2 ASN A 19 19.429 -23.864 -19.004 1.00 0.00 N ATOM 0 H ASN A 19 15.076 -22.489 -17.418 1.00 0.00 H new ATOM 0 HA ASN A 19 16.828 -22.690 -19.728 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.870 -22.233 -17.614 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.979 -23.508 -16.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.208 -24.477 -19.243 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.295 -22.989 -19.510 1.00 0.00 H new ATOM 348 N ASP A 20 14.861 -25.070 -18.909 1.00 0.00 N ATOM 349 CA ASP A 20 14.400 -26.412 -19.243 1.00 0.00 C ATOM 350 C ASP A 20 13.739 -26.433 -20.617 1.00 0.00 C ATOM 351 O ASP A 20 14.028 -27.300 -21.442 1.00 0.00 O ATOM 352 CB ASP A 20 13.418 -26.916 -18.183 1.00 0.00 C ATOM 353 CG ASP A 20 13.816 -28.266 -17.620 1.00 0.00 C ATOM 354 OD1 ASP A 20 13.486 -29.292 -18.250 1.00 0.00 O ATOM 355 OD2 ASP A 20 14.459 -28.296 -16.550 1.00 0.00 O ATOM 0 H ASP A 20 14.190 -24.514 -18.379 1.00 0.00 H new ATOM 0 HA ASP A 20 15.267 -27.072 -19.267 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.360 -26.190 -17.372 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.422 -26.987 -18.619 1.00 0.00 H new ATOM 360 N ILE A 21 12.850 -25.475 -20.856 1.00 0.00 N ATOM 361 CA ILE A 21 12.148 -25.384 -22.130 1.00 0.00 C ATOM 362 C ILE A 21 13.125 -25.429 -23.300 1.00 0.00 C ATOM 363 O ILE A 21 12.869 -26.083 -24.311 1.00 0.00 O ATOM 364 CB ILE A 21 11.314 -24.093 -22.222 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.667 -23.975 -23.604 1.00 0.00 C ATOM 366 CG2 ILE A 21 12.183 -22.878 -21.933 1.00 0.00 C ATOM 367 CD1 ILE A 21 9.839 -22.722 -23.779 1.00 0.00 C ATOM 0 H ILE A 21 12.599 -24.750 -20.184 1.00 0.00 H new ATOM 0 HA ILE A 21 11.480 -26.243 -22.184 1.00 0.00 H new ATOM 0 HB ILE A 21 10.523 -24.136 -21.473 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.448 -23.994 -24.364 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.034 -24.846 -23.775 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.579 -21.974 -22.002 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.600 -22.960 -20.929 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.993 -22.829 -22.660 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.411 -22.706 -24.781 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.036 -22.710 -23.042 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.472 -21.845 -23.640 1.00 0.00 H new ATOM 379 N SER A 22 14.246 -24.730 -23.155 1.00 0.00 N ATOM 380 CA SER A 22 15.262 -24.689 -24.200 1.00 0.00 C ATOM 381 C SER A 22 16.513 -23.964 -23.714 1.00 0.00 C ATOM 382 O SER A 22 16.470 -23.146 -22.795 1.00 0.00 O ATOM 383 CB SER A 22 14.711 -23.997 -25.449 1.00 0.00 C ATOM 384 OG SER A 22 14.172 -24.940 -26.359 1.00 0.00 O ATOM 0 H SER A 22 14.474 -24.184 -22.324 1.00 0.00 H new ATOM 0 HA SER A 22 15.532 -25.715 -24.450 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.940 -23.282 -25.162 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.505 -23.431 -25.935 1.00 0.00 H new ATOM 0 HG SER A 22 13.592 -25.566 -25.877 1.00 0.00 H new ATOM 390 N PRO A 23 17.657 -24.272 -24.344 1.00 0.00 N ATOM 391 CA PRO A 23 18.943 -23.661 -23.994 1.00 0.00 C ATOM 392 C PRO A 23 19.010 -22.188 -24.382 1.00 0.00 C ATOM 393 O PRO A 23 19.344 -21.336 -23.561 1.00 0.00 O ATOM 394 CB PRO A 23 19.954 -24.475 -24.805 1.00 0.00 C ATOM 395 CG PRO A 23 19.176 -25.004 -25.960 1.00 0.00 C ATOM 396 CD PRO A 23 17.782 -25.239 -25.448 1.00 0.00 C ATOM 0 HA PRO A 23 19.124 -23.679 -22.919 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.785 -23.854 -25.139 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.379 -25.284 -24.210 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.173 -24.294 -26.787 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.615 -25.928 -26.335 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.035 -25.064 -26.222 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.648 -26.264 -25.102 1.00 0.00 H new ATOM 404 N GLU A 24 18.690 -21.897 -25.639 1.00 0.00 N ATOM 405 CA GLU A 24 18.715 -20.526 -26.136 1.00 0.00 C ATOM 406 C GLU A 24 17.792 -19.633 -25.312 1.00 0.00 C ATOM 407 O GLU A 24 18.226 -18.632 -24.741 1.00 0.00 O ATOM 408 CB GLU A 24 18.302 -20.486 -27.608 1.00 0.00 C ATOM 409 CG GLU A 24 17.057 -21.300 -27.914 1.00 0.00 C ATOM 410 CD GLU A 24 17.180 -22.096 -29.199 1.00 0.00 C ATOM 411 OE1 GLU A 24 17.114 -21.483 -30.285 1.00 0.00 O ATOM 412 OE2 GLU A 24 17.344 -23.331 -29.118 1.00 0.00 O ATOM 0 H GLU A 24 18.411 -22.592 -26.332 1.00 0.00 H new ATOM 0 HA GLU A 24 19.734 -20.151 -26.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.129 -19.450 -27.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.126 -20.856 -28.218 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.861 -21.982 -27.086 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.199 -20.631 -27.986 1.00 0.00 H new ATOM 419 N ILE A 25 16.516 -20.002 -25.257 1.00 0.00 N ATOM 420 CA ILE A 25 15.532 -19.235 -24.504 1.00 0.00 C ATOM 421 C ILE A 25 15.917 -19.140 -23.032 1.00 0.00 C ATOM 422 O ILE A 25 15.671 -18.128 -22.378 1.00 0.00 O ATOM 423 CB ILE A 25 14.128 -19.857 -24.617 1.00 0.00 C ATOM 424 CG1 ILE A 25 13.150 -18.855 -25.234 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.638 -20.309 -23.249 1.00 0.00 C ATOM 426 CD1 ILE A 25 13.052 -17.555 -24.468 1.00 0.00 C ATOM 0 H ILE A 25 16.140 -20.827 -25.725 1.00 0.00 H new ATOM 0 HA ILE A 25 15.514 -18.235 -24.937 1.00 0.00 H new ATOM 0 HB ILE A 25 14.184 -20.729 -25.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.459 -18.642 -26.257 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.161 -19.311 -25.288 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.644 -20.747 -23.345 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.324 -21.053 -22.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.594 -19.452 -22.577 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.341 -16.894 -24.963 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.714 -17.756 -23.452 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.031 -17.077 -24.436 1.00 0.00 H new ATOM 438 N GLY A 26 16.527 -20.204 -22.516 1.00 0.00 N ATOM 439 CA GLY A 26 16.939 -20.220 -21.124 1.00 0.00 C ATOM 440 C GLY A 26 17.934 -19.123 -20.802 1.00 0.00 C ATOM 441 O GLY A 26 17.663 -18.256 -19.971 1.00 0.00 O ATOM 0 H GLY A 26 16.743 -21.054 -23.037 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.061 -20.109 -20.487 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.382 -21.188 -20.890 1.00 0.00 H new ATOM 445 N GLU A 27 19.089 -19.162 -21.458 1.00 0.00 N ATOM 446 CA GLU A 27 20.128 -18.164 -21.234 1.00 0.00 C ATOM 447 C GLU A 27 19.575 -16.753 -21.410 1.00 0.00 C ATOM 448 O GLU A 27 19.899 -15.847 -20.641 1.00 0.00 O ATOM 449 CB GLU A 27 21.298 -18.389 -22.194 1.00 0.00 C ATOM 450 CG GLU A 27 20.888 -18.415 -23.657 1.00 0.00 C ATOM 451 CD GLU A 27 22.064 -18.630 -24.589 1.00 0.00 C ATOM 452 OE1 GLU A 27 23.181 -18.880 -24.089 1.00 0.00 O ATOM 453 OE2 GLU A 27 21.868 -18.548 -25.820 1.00 0.00 O ATOM 0 H GLU A 27 19.329 -19.873 -22.148 1.00 0.00 H new ATOM 0 HA GLU A 27 20.483 -18.271 -20.209 1.00 0.00 H new ATOM 0 HB2 GLU A 27 22.035 -17.600 -22.046 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.785 -19.332 -21.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.157 -19.209 -23.811 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.396 -17.475 -23.909 1.00 0.00 H new ATOM 460 N ARG A 28 18.739 -16.574 -22.427 1.00 0.00 N ATOM 461 CA ARG A 28 18.141 -15.274 -22.706 1.00 0.00 C ATOM 462 C ARG A 28 17.205 -14.853 -21.577 1.00 0.00 C ATOM 463 O ARG A 28 17.399 -13.811 -20.951 1.00 0.00 O ATOM 464 CB ARG A 28 17.377 -15.313 -24.030 1.00 0.00 C ATOM 465 CG ARG A 28 17.519 -14.044 -24.854 1.00 0.00 C ATOM 466 CD ARG A 28 18.633 -14.169 -25.881 1.00 0.00 C ATOM 467 NE ARG A 28 19.334 -12.904 -26.086 1.00 0.00 N ATOM 468 CZ ARG A 28 20.078 -12.640 -27.154 1.00 0.00 C ATOM 469 NH1 ARG A 28 20.217 -13.549 -28.110 1.00 0.00 N ATOM 470 NH2 ARG A 28 20.684 -11.465 -27.269 1.00 0.00 N ATOM 0 H ARG A 28 18.460 -17.313 -23.072 1.00 0.00 H new ATOM 0 HA ARG A 28 18.944 -14.541 -22.781 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.731 -16.160 -24.619 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.321 -15.486 -23.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.578 -13.831 -25.361 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.724 -13.201 -24.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.344 -14.928 -25.554 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.216 -14.510 -26.829 1.00 0.00 H new ATOM 0 HE ARG A 28 19.247 -12.184 -25.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.752 -14.453 -28.026 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.789 -13.344 -28.929 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.579 -10.763 -26.536 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.255 -11.264 -28.090 1.00 0.00 H new ATOM 484 N VAL A 29 16.187 -15.670 -21.324 1.00 0.00 N ATOM 485 CA VAL A 29 15.220 -15.383 -20.271 1.00 0.00 C ATOM 486 C VAL A 29 15.917 -14.920 -18.996 1.00 0.00 C ATOM 487 O VAL A 29 15.663 -13.822 -18.501 1.00 0.00 O ATOM 488 CB VAL A 29 14.355 -16.616 -19.952 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.575 -16.403 -18.663 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.415 -16.921 -21.109 1.00 0.00 C ATOM 0 H VAL A 29 16.011 -16.536 -21.834 1.00 0.00 H new ATOM 0 HA VAL A 29 14.577 -14.584 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 29 15.013 -17.473 -19.813 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.970 -17.285 -18.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.270 -16.237 -17.840 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.926 -15.534 -18.770 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.811 -17.795 -20.866 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.762 -16.066 -21.282 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.998 -17.121 -22.008 1.00 0.00 H new ATOM 500 N ARG A 30 16.797 -15.766 -18.470 1.00 0.00 N ATOM 501 CA ARG A 30 17.530 -15.444 -17.252 1.00 0.00 C ATOM 502 C ARG A 30 18.352 -14.171 -17.432 1.00 0.00 C ATOM 503 O ARG A 30 18.358 -13.295 -16.566 1.00 0.00 O ATOM 504 CB ARG A 30 18.448 -16.605 -16.862 1.00 0.00 C ATOM 505 CG ARG A 30 19.485 -16.943 -17.921 1.00 0.00 C ATOM 506 CD ARG A 30 20.041 -18.345 -17.727 1.00 0.00 C ATOM 507 NE ARG A 30 21.489 -18.389 -17.911 1.00 0.00 N ATOM 508 CZ ARG A 30 22.356 -17.892 -17.036 1.00 0.00 C ATOM 509 NH1 ARG A 30 21.924 -17.317 -15.922 1.00 0.00 N ATOM 510 NH2 ARG A 30 23.659 -17.971 -17.273 1.00 0.00 N ATOM 0 H ARG A 30 17.019 -16.678 -18.868 1.00 0.00 H new ATOM 0 HA ARG A 30 16.805 -15.278 -16.455 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.959 -16.357 -15.932 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.840 -17.488 -16.666 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.036 -16.862 -18.911 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.298 -16.219 -17.880 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.792 -18.699 -16.727 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.565 -19.025 -18.433 1.00 0.00 H new ATOM 0 HE ARG A 30 21.855 -18.825 -18.758 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.923 -17.255 -15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.592 -16.936 -15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.996 -18.414 -18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.324 -17.589 -16.600 1.00 0.00 H new ATOM 524 N THR A 31 19.045 -14.074 -18.562 1.00 0.00 N ATOM 525 CA THR A 31 19.871 -12.910 -18.856 1.00 0.00 C ATOM 526 C THR A 31 19.076 -11.619 -18.698 1.00 0.00 C ATOM 527 O THR A 31 19.467 -10.725 -17.946 1.00 0.00 O ATOM 528 CB THR A 31 20.446 -12.975 -20.283 1.00 0.00 C ATOM 529 OG1 THR A 31 21.529 -13.911 -20.332 1.00 0.00 O ATOM 530 CG2 THR A 31 20.932 -11.605 -20.733 1.00 0.00 C ATOM 0 H THR A 31 19.050 -14.789 -19.290 1.00 0.00 H new ATOM 0 HA THR A 31 20.694 -12.917 -18.141 1.00 0.00 H new ATOM 0 HB THR A 31 19.654 -13.301 -20.957 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.182 -14.820 -20.212 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.334 -11.675 -21.744 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.099 -10.902 -20.722 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.711 -11.255 -20.056 1.00 0.00 H new ATOM 538 N LEU A 32 17.959 -11.526 -19.411 1.00 0.00 N ATOM 539 CA LEU A 32 17.108 -10.343 -19.350 1.00 0.00 C ATOM 540 C LEU A 32 16.545 -10.149 -17.946 1.00 0.00 C ATOM 541 O LEU A 32 16.746 -9.106 -17.323 1.00 0.00 O ATOM 542 CB LEU A 32 15.964 -10.461 -20.359 1.00 0.00 C ATOM 543 CG LEU A 32 16.330 -11.047 -21.723 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.231 -10.767 -22.736 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.659 -10.486 -22.206 1.00 0.00 C ATOM 0 H LEU A 32 17.621 -12.256 -20.038 1.00 0.00 H new ATOM 0 HA LEU A 32 17.717 -9.474 -19.600 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.181 -11.078 -19.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.539 -9.469 -20.514 1.00 0.00 H new ATOM 0 HG LEU A 32 16.432 -12.127 -21.617 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.509 -11.191 -23.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.299 -11.218 -22.396 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.096 -9.690 -22.838 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.903 -10.914 -23.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.586 -9.402 -22.295 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.442 -10.739 -21.491 1.00 0.00 H new ATOM 557 N VAL A 33 15.840 -11.162 -17.452 1.00 0.00 N ATOM 558 CA VAL A 33 15.250 -11.105 -16.120 1.00 0.00 C ATOM 559 C VAL A 33 16.282 -10.682 -15.080 1.00 0.00 C ATOM 560 O VAL A 33 16.259 -9.552 -14.590 1.00 0.00 O ATOM 561 CB VAL A 33 14.653 -12.465 -15.711 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.262 -12.456 -14.241 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.457 -12.806 -16.588 1.00 0.00 C ATOM 0 H VAL A 33 15.664 -12.032 -17.954 1.00 0.00 H new ATOM 0 HA VAL A 33 14.452 -10.364 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 33 15.412 -13.234 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.842 -13.425 -13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.144 -12.259 -13.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.519 -11.677 -14.067 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.047 -13.770 -16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.693 -12.036 -16.477 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.773 -12.857 -17.630 1.00 0.00 H new ATOM 573 N LEU A 34 17.186 -11.596 -14.746 1.00 0.00 N ATOM 574 CA LEU A 34 18.229 -11.319 -13.764 1.00 0.00 C ATOM 575 C LEU A 34 18.988 -10.045 -14.121 1.00 0.00 C ATOM 576 O LEU A 34 19.420 -9.301 -13.242 1.00 0.00 O ATOM 577 CB LEU A 34 19.200 -12.497 -13.675 1.00 0.00 C ATOM 578 CG LEU A 34 18.565 -13.887 -13.604 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.633 -14.953 -13.416 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.543 -13.949 -12.478 1.00 0.00 C ATOM 0 H LEU A 34 17.218 -12.536 -15.141 1.00 0.00 H new ATOM 0 HA LEU A 34 17.752 -11.176 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.859 -12.465 -14.542 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.826 -12.360 -12.793 1.00 0.00 H new ATOM 0 HG LEU A 34 18.051 -14.079 -14.546 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.162 -15.935 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.327 -14.924 -14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.176 -14.765 -12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.101 -14.945 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.034 -13.735 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.761 -13.211 -12.656 1.00 0.00 H new ATOM 592 N GLY A 35 19.146 -9.800 -15.419 1.00 0.00 N ATOM 593 CA GLY A 35 19.852 -8.615 -15.869 1.00 0.00 C ATOM 594 C GLY A 35 19.208 -7.334 -15.376 1.00 0.00 C ATOM 595 O GLY A 35 19.763 -6.640 -14.524 1.00 0.00 O ATOM 0 H GLY A 35 18.798 -10.401 -16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.884 -8.657 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.883 -8.606 -16.959 1.00 0.00 H new ATOM 599 N LEU A 36 18.035 -7.019 -15.914 1.00 0.00 N ATOM 600 CA LEU A 36 17.315 -5.812 -15.525 1.00 0.00 C ATOM 601 C LEU A 36 17.105 -5.765 -14.014 1.00 0.00 C ATOM 602 O LEU A 36 16.912 -4.696 -13.436 1.00 0.00 O ATOM 603 CB LEU A 36 15.964 -5.747 -16.240 1.00 0.00 C ATOM 604 CG LEU A 36 15.021 -6.927 -16.004 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.180 -6.696 -14.758 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.131 -7.150 -17.218 1.00 0.00 C ATOM 0 H LEU A 36 17.562 -7.583 -16.621 1.00 0.00 H new ATOM 0 HA LEU A 36 17.916 -4.951 -15.817 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.455 -4.834 -15.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.146 -5.662 -17.311 1.00 0.00 H new ATOM 0 HG LEU A 36 15.622 -7.823 -15.851 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.515 -7.546 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.834 -6.587 -13.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.588 -5.789 -14.882 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.467 -7.994 -17.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.538 -6.255 -17.403 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.751 -7.361 -18.089 1.00 0.00 H new ATOM 618 N VAL A 37 17.147 -6.933 -13.380 1.00 0.00 N ATOM 619 CA VAL A 37 16.965 -7.026 -11.937 1.00 0.00 C ATOM 620 C VAL A 37 18.144 -6.408 -11.193 1.00 0.00 C ATOM 621 O VAL A 37 17.980 -5.461 -10.426 1.00 0.00 O ATOM 622 CB VAL A 37 16.797 -8.489 -11.485 1.00 0.00 C ATOM 623 CG1 VAL A 37 16.989 -8.609 -9.981 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.434 -9.021 -11.901 1.00 0.00 C ATOM 0 H VAL A 37 17.306 -7.828 -13.844 1.00 0.00 H new ATOM 0 HA VAL A 37 16.057 -6.473 -11.697 1.00 0.00 H new ATOM 0 HB VAL A 37 17.562 -9.092 -11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.867 -9.650 -9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.990 -8.269 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.249 -7.994 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.332 -10.056 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.652 -8.416 -11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.340 -8.973 -12.986 1.00 0.00 H new ATOM 634 N ASN A 38 19.334 -6.952 -11.427 1.00 0.00 N ATOM 635 CA ASN A 38 20.543 -6.454 -10.780 1.00 0.00 C ATOM 636 C ASN A 38 21.497 -5.846 -11.803 1.00 0.00 C ATOM 637 O ASN A 38 22.009 -4.743 -11.610 1.00 0.00 O ATOM 638 CB ASN A 38 21.242 -7.584 -10.021 1.00 0.00 C ATOM 639 CG ASN A 38 21.396 -8.836 -10.862 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.542 -8.969 -11.520 1.00 0.00 O flip ATOM 641 ND2 ASN A 38 20.496 -9.673 -10.920 1.00 0.00 N flip ATOM 0 H ASN A 38 19.487 -7.737 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 38 20.253 -5.676 -10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.225 -7.245 -9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.673 -7.821 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.632 -9.530 -10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 38 20.614 -10.510 -11.491 1.00 0.00 H new ATOM 648 N SER A 39 21.731 -6.572 -12.891 1.00 0.00 N ATOM 649 CA SER A 39 22.626 -6.107 -13.943 1.00 0.00 C ATOM 650 C SER A 39 22.059 -4.868 -14.630 1.00 0.00 C ATOM 651 O SER A 39 20.887 -4.530 -14.460 1.00 0.00 O ATOM 652 CB SER A 39 22.856 -7.214 -14.974 1.00 0.00 C ATOM 653 OG SER A 39 24.191 -7.198 -15.450 1.00 0.00 O ATOM 0 H SER A 39 21.313 -7.485 -13.067 1.00 0.00 H new ATOM 0 HA SER A 39 23.579 -5.844 -13.484 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.638 -8.183 -14.526 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.167 -7.086 -15.809 1.00 0.00 H new ATOM 0 HG SER A 39 24.313 -7.916 -16.106 1.00 0.00 H new ATOM 659 N THR A 40 22.901 -4.192 -15.407 1.00 0.00 N ATOM 660 CA THR A 40 22.486 -2.990 -16.119 1.00 0.00 C ATOM 661 C THR A 40 21.647 -3.338 -17.343 1.00 0.00 C ATOM 662 O THR A 40 22.180 -3.569 -18.429 1.00 0.00 O ATOM 663 CB THR A 40 23.700 -2.153 -16.564 1.00 0.00 C ATOM 664 OG1 THR A 40 24.404 -1.663 -15.417 1.00 0.00 O ATOM 665 CG2 THR A 40 23.263 -0.985 -17.435 1.00 0.00 C ATOM 0 H THR A 40 23.874 -4.457 -15.559 1.00 0.00 H new ATOM 0 HA THR A 40 21.885 -2.403 -15.424 1.00 0.00 H new ATOM 0 HB THR A 40 24.360 -2.794 -17.149 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.175 -1.133 -15.708 1.00 0.00 H new ATOM 0 HG21 THR A 40 24.138 -0.409 -17.737 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.754 -1.363 -18.322 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.584 -0.345 -16.872 1.00 0.00 H new ATOM 673 N LEU A 41 20.331 -3.373 -17.162 1.00 0.00 N ATOM 674 CA LEU A 41 19.417 -3.692 -18.253 1.00 0.00 C ATOM 675 C LEU A 41 18.124 -2.893 -18.131 1.00 0.00 C ATOM 676 O LEU A 41 17.648 -2.623 -17.027 1.00 0.00 O ATOM 677 CB LEU A 41 19.105 -5.190 -18.262 1.00 0.00 C ATOM 678 CG LEU A 41 19.865 -6.027 -19.291 1.00 0.00 C ATOM 679 CD1 LEU A 41 21.009 -6.779 -18.627 1.00 0.00 C ATOM 680 CD2 LEU A 41 18.923 -6.995 -19.991 1.00 0.00 C ATOM 0 H LEU A 41 19.873 -3.184 -16.270 1.00 0.00 H new ATOM 0 HA LEU A 41 19.902 -3.422 -19.191 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.315 -5.591 -17.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.037 -5.317 -18.437 1.00 0.00 H new ATOM 0 HG LEU A 41 20.285 -5.355 -20.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.539 -7.369 -19.375 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.698 -6.067 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.611 -7.441 -17.857 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.481 -7.583 -20.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.474 -7.662 -19.255 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.139 -6.435 -20.500 1.00 0.00 H new ATOM 692 N THR A 42 17.556 -2.517 -19.273 1.00 0.00 N ATOM 693 CA THR A 42 16.317 -1.749 -19.295 1.00 0.00 C ATOM 694 C THR A 42 15.162 -2.586 -19.833 1.00 0.00 C ATOM 695 O THR A 42 15.372 -3.552 -20.567 1.00 0.00 O ATOM 696 CB THR A 42 16.459 -0.478 -20.153 1.00 0.00 C ATOM 697 OG1 THR A 42 15.227 0.252 -20.155 1.00 0.00 O ATOM 698 CG2 THR A 42 16.848 -0.830 -21.582 1.00 0.00 C ATOM 0 H THR A 42 17.935 -2.732 -20.195 1.00 0.00 H new ATOM 0 HA THR A 42 16.105 -1.461 -18.265 1.00 0.00 H new ATOM 0 HB THR A 42 17.246 0.140 -19.720 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.326 1.060 -20.701 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.942 0.084 -22.169 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.801 -1.360 -21.580 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.080 -1.466 -22.022 1.00 0.00 H new ATOM 706 N ILE A 43 13.943 -2.208 -19.464 1.00 0.00 N ATOM 707 CA ILE A 43 12.754 -2.923 -19.911 1.00 0.00 C ATOM 708 C ILE A 43 12.776 -3.135 -21.421 1.00 0.00 C ATOM 709 O ILE A 43 12.596 -4.253 -21.903 1.00 0.00 O ATOM 710 CB ILE A 43 11.466 -2.170 -19.528 1.00 0.00 C ATOM 711 CG1 ILE A 43 11.424 -1.923 -18.019 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.241 -2.953 -19.977 1.00 0.00 C ATOM 713 CD1 ILE A 43 10.656 -2.979 -17.255 1.00 0.00 C ATOM 0 H ILE A 43 13.753 -1.411 -18.857 1.00 0.00 H new ATOM 0 HA ILE A 43 12.761 -3.891 -19.410 1.00 0.00 H new ATOM 0 HB ILE A 43 11.462 -1.205 -20.035 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.444 -1.880 -17.638 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.972 -0.949 -17.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.339 -2.408 -19.699 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.268 -3.082 -21.059 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.237 -3.931 -19.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.668 -2.740 -16.192 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.626 -3.007 -17.609 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.121 -3.952 -17.413 1.00 0.00 H new ATOM 725 N GLU A 44 12.999 -2.054 -22.162 1.00 0.00 N ATOM 726 CA GLU A 44 13.045 -2.123 -23.618 1.00 0.00 C ATOM 727 C GLU A 44 14.005 -3.215 -24.081 1.00 0.00 C ATOM 728 O GLU A 44 13.659 -4.043 -24.922 1.00 0.00 O ATOM 729 CB GLU A 44 13.471 -0.774 -24.201 1.00 0.00 C ATOM 730 CG GLU A 44 12.308 0.069 -24.697 1.00 0.00 C ATOM 731 CD GLU A 44 12.757 1.386 -25.299 1.00 0.00 C ATOM 732 OE1 GLU A 44 13.615 2.056 -24.689 1.00 0.00 O ATOM 733 OE2 GLU A 44 12.249 1.746 -26.382 1.00 0.00 O ATOM 0 H GLU A 44 13.150 -1.121 -21.779 1.00 0.00 H new ATOM 0 HA GLU A 44 12.045 -2.367 -23.976 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.016 -0.215 -23.440 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.162 -0.946 -25.026 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.748 -0.495 -25.443 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.627 0.266 -23.869 1.00 0.00 H new ATOM 740 N GLU A 45 15.213 -3.208 -23.525 1.00 0.00 N ATOM 741 CA GLU A 45 16.223 -4.197 -23.882 1.00 0.00 C ATOM 742 C GLU A 45 15.776 -5.600 -23.483 1.00 0.00 C ATOM 743 O GLU A 45 16.034 -6.572 -24.193 1.00 0.00 O ATOM 744 CB GLU A 45 17.556 -3.864 -23.208 1.00 0.00 C ATOM 745 CG GLU A 45 18.635 -4.906 -23.445 1.00 0.00 C ATOM 746 CD GLU A 45 19.593 -4.513 -24.553 1.00 0.00 C ATOM 747 OE1 GLU A 45 19.166 -4.493 -25.726 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.769 -4.224 -24.247 1.00 0.00 O ATOM 0 H GLU A 45 15.515 -2.529 -22.826 1.00 0.00 H new ATOM 0 HA GLU A 45 16.354 -4.170 -24.964 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.908 -2.899 -23.574 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.395 -3.758 -22.135 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.195 -5.059 -22.523 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.167 -5.858 -23.695 1.00 0.00 H new ATOM 755 N PHE A 46 15.104 -5.698 -22.340 1.00 0.00 N ATOM 756 CA PHE A 46 14.622 -6.982 -21.844 1.00 0.00 C ATOM 757 C PHE A 46 13.457 -7.488 -22.690 1.00 0.00 C ATOM 758 O PHE A 46 13.210 -8.692 -22.770 1.00 0.00 O ATOM 759 CB PHE A 46 14.190 -6.858 -20.382 1.00 0.00 C ATOM 760 CG PHE A 46 12.896 -7.558 -20.078 1.00 0.00 C ATOM 761 CD1 PHE A 46 11.684 -6.915 -20.269 1.00 0.00 C ATOM 762 CD2 PHE A 46 12.892 -8.859 -19.602 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.492 -7.556 -19.989 1.00 0.00 C ATOM 764 CE2 PHE A 46 11.703 -9.506 -19.320 1.00 0.00 C ATOM 765 CZ PHE A 46 10.501 -8.854 -19.515 1.00 0.00 C ATOM 0 H PHE A 46 14.881 -4.904 -21.740 1.00 0.00 H new ATOM 0 HA PHE A 46 15.438 -7.701 -21.914 1.00 0.00 H new ATOM 0 HB2 PHE A 46 14.974 -7.267 -19.744 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.091 -5.802 -20.129 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.670 -5.901 -20.641 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.829 -9.374 -19.449 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.554 -7.043 -20.141 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.714 -10.520 -18.948 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.571 -9.357 -19.298 1.00 0.00 H new ATOM 775 N HIS A 47 12.742 -6.560 -23.319 1.00 0.00 N ATOM 776 CA HIS A 47 11.603 -6.912 -24.158 1.00 0.00 C ATOM 777 C HIS A 47 12.037 -7.116 -25.606 1.00 0.00 C ATOM 778 O HIS A 47 11.354 -7.786 -26.381 1.00 0.00 O ATOM 779 CB HIS A 47 10.532 -5.823 -24.084 1.00 0.00 C ATOM 780 CG HIS A 47 9.849 -5.563 -25.391 1.00 0.00 C ATOM 781 ND1 HIS A 47 8.752 -6.278 -25.822 1.00 0.00 N ATOM 782 CD2 HIS A 47 10.113 -4.660 -26.364 1.00 0.00 C ATOM 783 CE1 HIS A 47 8.371 -5.827 -27.003 1.00 0.00 C ATOM 784 NE2 HIS A 47 9.181 -4.844 -27.355 1.00 0.00 N ATOM 0 H HIS A 47 12.932 -5.559 -23.263 1.00 0.00 H new ATOM 0 HA HIS A 47 11.186 -7.848 -23.787 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.785 -6.110 -23.344 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.990 -4.898 -23.733 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.909 -3.930 -26.361 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.539 -6.198 -27.583 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.123 -4.309 -28.222 1.00 0.00 H new ATOM 792 N SER A 48 13.177 -6.534 -25.965 1.00 0.00 N ATOM 793 CA SER A 48 13.700 -6.648 -27.321 1.00 0.00 C ATOM 794 C SER A 48 14.323 -8.022 -27.549 1.00 0.00 C ATOM 795 O SER A 48 14.423 -8.491 -28.683 1.00 0.00 O ATOM 796 CB SER A 48 14.738 -5.555 -27.584 1.00 0.00 C ATOM 797 OG SER A 48 15.616 -5.927 -28.633 1.00 0.00 O ATOM 0 H SER A 48 13.756 -5.979 -25.335 1.00 0.00 H new ATOM 0 HA SER A 48 12.869 -6.525 -28.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.233 -4.624 -27.841 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.311 -5.367 -26.676 1.00 0.00 H new ATOM 0 HG SER A 48 16.269 -5.211 -28.783 1.00 0.00 H new ATOM 803 N LYS A 49 14.740 -8.663 -26.463 1.00 0.00 N ATOM 804 CA LYS A 49 15.352 -9.984 -26.541 1.00 0.00 C ATOM 805 C LYS A 49 14.324 -11.077 -26.270 1.00 0.00 C ATOM 806 O LYS A 49 14.262 -12.078 -26.987 1.00 0.00 O ATOM 807 CB LYS A 49 16.505 -10.095 -25.541 1.00 0.00 C ATOM 808 CG LYS A 49 17.863 -9.769 -26.140 1.00 0.00 C ATOM 809 CD LYS A 49 18.250 -8.321 -25.889 1.00 0.00 C ATOM 810 CE LYS A 49 19.226 -8.198 -24.730 1.00 0.00 C ATOM 811 NZ LYS A 49 20.518 -8.882 -25.017 1.00 0.00 N ATOM 0 H LYS A 49 14.665 -8.289 -25.517 1.00 0.00 H new ATOM 0 HA LYS A 49 15.741 -10.117 -27.551 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.315 -9.423 -24.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.529 -11.107 -25.137 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.618 -10.428 -25.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.844 -9.961 -27.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.698 -7.902 -26.790 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.355 -7.736 -25.676 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.411 -7.144 -24.522 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.780 -8.627 -23.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.282 -8.417 -24.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.454 -9.879 -24.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.721 -8.828 -26.036 1.00 0.00 H new ATOM 825 N LEU A 50 13.517 -10.880 -25.234 1.00 0.00 N ATOM 826 CA LEU A 50 12.489 -11.849 -24.869 1.00 0.00 C ATOM 827 C LEU A 50 11.457 -11.993 -25.983 1.00 0.00 C ATOM 828 O LEU A 50 10.694 -12.959 -26.013 1.00 0.00 O ATOM 829 CB LEU A 50 11.799 -11.426 -23.571 1.00 0.00 C ATOM 830 CG LEU A 50 11.411 -12.557 -22.618 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.466 -12.081 -21.174 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.025 -13.087 -22.954 1.00 0.00 C ATOM 0 H LEU A 50 13.554 -10.058 -24.631 1.00 0.00 H new ATOM 0 HA LEU A 50 12.972 -12.815 -24.718 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.458 -10.740 -23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.898 -10.868 -23.827 1.00 0.00 H new ATOM 0 HG LEU A 50 12.128 -13.369 -22.739 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.187 -12.899 -20.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.478 -11.751 -20.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.773 -11.251 -21.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.766 -13.891 -22.265 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.296 -12.282 -22.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.019 -13.468 -23.975 1.00 0.00 H new ATOM 844 N GLN A 51 11.441 -11.028 -26.896 1.00 0.00 N ATOM 845 CA GLN A 51 10.503 -11.049 -28.013 1.00 0.00 C ATOM 846 C GLN A 51 11.067 -11.849 -29.182 1.00 0.00 C ATOM 847 O GLN A 51 10.340 -12.579 -29.855 1.00 0.00 O ATOM 848 CB GLN A 51 10.182 -9.623 -28.463 1.00 0.00 C ATOM 849 CG GLN A 51 11.356 -8.912 -29.116 1.00 0.00 C ATOM 850 CD GLN A 51 11.033 -7.481 -29.497 1.00 0.00 C ATOM 851 OE1 GLN A 51 9.984 -6.950 -29.130 1.00 0.00 O ATOM 852 NE2 GLN A 51 11.934 -6.847 -30.238 1.00 0.00 N ATOM 0 H GLN A 51 12.066 -10.222 -26.885 1.00 0.00 H new ATOM 0 HA GLN A 51 9.586 -11.531 -27.676 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.349 -9.651 -29.165 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.852 -9.044 -27.600 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.206 -8.919 -28.433 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.659 -9.462 -30.007 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.790 -7.325 -30.520 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.770 -5.882 -30.525 1.00 0.00 H new ATOM 861 N GLU A 52 12.367 -11.706 -29.419 1.00 0.00 N ATOM 862 CA GLU A 52 13.028 -12.415 -30.508 1.00 0.00 C ATOM 863 C GLU A 52 13.618 -13.735 -30.020 1.00 0.00 C ATOM 864 O GLU A 52 14.173 -14.506 -30.802 1.00 0.00 O ATOM 865 CB GLU A 52 14.129 -11.546 -31.119 1.00 0.00 C ATOM 866 CG GLU A 52 15.297 -11.294 -30.180 1.00 0.00 C ATOM 867 CD GLU A 52 16.400 -10.480 -30.827 1.00 0.00 C ATOM 868 OE1 GLU A 52 16.169 -9.937 -31.927 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.495 -10.386 -30.233 1.00 0.00 O ATOM 0 H GLU A 52 12.983 -11.105 -28.871 1.00 0.00 H new ATOM 0 HA GLU A 52 12.281 -12.632 -31.272 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.499 -12.027 -32.025 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.701 -10.589 -31.418 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.939 -10.773 -29.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.703 -12.249 -29.847 1.00 0.00 H new ATOM 876 N ALA A 53 13.495 -13.986 -28.721 1.00 0.00 N ATOM 877 CA ALA A 53 14.014 -15.212 -28.128 1.00 0.00 C ATOM 878 C ALA A 53 12.898 -16.225 -27.893 1.00 0.00 C ATOM 879 O ALA A 53 13.039 -17.406 -28.213 1.00 0.00 O ATOM 880 CB ALA A 53 14.732 -14.904 -26.822 1.00 0.00 C ATOM 0 H ALA A 53 13.041 -13.357 -28.059 1.00 0.00 H new ATOM 0 HA ALA A 53 14.726 -15.651 -28.827 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.114 -15.829 -26.390 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.561 -14.223 -27.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.035 -14.439 -26.125 1.00 0.00 H new ATOM 886 N THR A 54 11.788 -15.756 -27.332 1.00 0.00 N ATOM 887 CA THR A 54 10.649 -16.620 -27.054 1.00 0.00 C ATOM 888 C THR A 54 10.294 -17.472 -28.268 1.00 0.00 C ATOM 889 O THR A 54 10.582 -18.667 -28.304 1.00 0.00 O ATOM 890 CB THR A 54 9.412 -15.803 -26.636 1.00 0.00 C ATOM 891 OG1 THR A 54 9.317 -14.616 -27.432 1.00 0.00 O ATOM 892 CG2 THR A 54 9.483 -15.428 -25.163 1.00 0.00 C ATOM 0 H THR A 54 11.654 -14.782 -27.061 1.00 0.00 H new ATOM 0 HA THR A 54 10.941 -17.271 -26.230 1.00 0.00 H new ATOM 0 HB THR A 54 8.527 -16.419 -26.795 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.873 -13.912 -27.038 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.599 -14.852 -24.891 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.525 -16.334 -24.559 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.376 -14.829 -24.983 1.00 0.00 H new ATOM 900 N ASN A 55 9.669 -16.847 -29.260 1.00 0.00 N ATOM 901 CA ASN A 55 9.276 -17.549 -30.477 1.00 0.00 C ATOM 902 C ASN A 55 9.184 -16.584 -31.655 1.00 0.00 C ATOM 903 O ASN A 55 9.921 -16.709 -32.633 1.00 0.00 O ATOM 904 CB ASN A 55 7.933 -18.253 -30.273 1.00 0.00 C ATOM 905 CG ASN A 55 7.471 -18.987 -31.517 1.00 0.00 C ATOM 906 OD1 ASN A 55 6.677 -18.466 -32.300 1.00 0.00 O ATOM 907 ND2 ASN A 55 7.967 -20.205 -31.703 1.00 0.00 N ATOM 0 H ASN A 55 9.424 -15.857 -29.246 1.00 0.00 H new ATOM 0 HA ASN A 55 10.039 -18.295 -30.700 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.018 -18.960 -29.448 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.180 -17.518 -29.987 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.692 -20.748 -32.521 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.623 -20.597 -31.027 1.00 0.00 H new ATOM 914 N PHE A 56 8.273 -15.621 -31.555 1.00 0.00 N ATOM 915 CA PHE A 56 8.083 -14.635 -32.612 1.00 0.00 C ATOM 916 C PHE A 56 6.976 -13.651 -32.245 1.00 0.00 C ATOM 917 O PHE A 56 7.189 -12.442 -32.154 1.00 0.00 O ATOM 918 CB PHE A 56 7.747 -15.330 -33.933 1.00 0.00 C ATOM 919 CG PHE A 56 8.816 -15.181 -34.977 1.00 0.00 C ATOM 920 CD1 PHE A 56 9.184 -13.927 -35.437 1.00 0.00 C ATOM 921 CD2 PHE A 56 9.454 -16.295 -35.498 1.00 0.00 C ATOM 922 CE1 PHE A 56 10.167 -13.787 -36.399 1.00 0.00 C ATOM 923 CE2 PHE A 56 10.438 -16.162 -36.460 1.00 0.00 C ATOM 924 CZ PHE A 56 10.795 -14.906 -36.910 1.00 0.00 C ATOM 0 H PHE A 56 7.655 -15.503 -30.752 1.00 0.00 H new ATOM 0 HA PHE A 56 9.014 -14.080 -32.729 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.580 -16.390 -33.744 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.813 -14.924 -34.321 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.697 -13.049 -35.039 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.179 -17.279 -35.148 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.443 -12.804 -36.750 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.927 -17.039 -36.859 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.564 -14.799 -37.660 1.00 0.00 H new ATOM 934 N PRO A 57 5.762 -14.181 -32.031 1.00 0.00 N ATOM 935 CA PRO A 57 4.596 -13.368 -31.671 1.00 0.00 C ATOM 936 C PRO A 57 4.702 -12.793 -30.263 1.00 0.00 C ATOM 937 O PRO A 57 4.670 -13.530 -29.276 1.00 0.00 O ATOM 938 CB PRO A 57 3.433 -14.359 -31.758 1.00 0.00 C ATOM 939 CG PRO A 57 4.055 -15.694 -31.531 1.00 0.00 C ATOM 940 CD PRO A 57 5.435 -15.613 -32.122 1.00 0.00 C ATOM 0 HA PRO A 57 4.486 -12.502 -32.323 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.673 -14.144 -31.007 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.943 -14.311 -32.731 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.099 -15.928 -30.467 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.472 -16.482 -32.007 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.147 -16.224 -31.566 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.451 -15.964 -33.154 1.00 0.00 H new ATOM 948 N LEU A 58 4.829 -11.474 -30.175 1.00 0.00 N ATOM 949 CA LEU A 58 4.939 -10.799 -28.886 1.00 0.00 C ATOM 950 C LEU A 58 3.762 -11.153 -27.984 1.00 0.00 C ATOM 951 O LEU A 58 2.708 -11.578 -28.459 1.00 0.00 O ATOM 952 CB LEU A 58 5.007 -9.284 -29.085 1.00 0.00 C ATOM 953 CG LEU A 58 5.419 -8.464 -27.862 1.00 0.00 C ATOM 954 CD1 LEU A 58 6.885 -8.698 -27.533 1.00 0.00 C ATOM 955 CD2 LEU A 58 5.153 -6.985 -28.098 1.00 0.00 C ATOM 0 H LEU A 58 4.858 -10.850 -30.981 1.00 0.00 H new ATOM 0 HA LEU A 58 5.856 -11.137 -28.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.710 -9.075 -29.891 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.029 -8.937 -29.417 1.00 0.00 H new ATOM 0 HG LEU A 58 4.820 -8.789 -27.011 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.161 -8.107 -26.660 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.046 -9.755 -27.321 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.500 -8.400 -28.382 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.452 -6.416 -27.217 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.726 -6.645 -28.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.090 -6.832 -28.285 1.00 0.00 H new ATOM 967 N ARG A 59 3.947 -10.974 -26.680 1.00 0.00 N ATOM 968 CA ARG A 59 2.900 -11.273 -25.711 1.00 0.00 C ATOM 969 C ARG A 59 2.166 -10.002 -25.294 1.00 0.00 C ATOM 970 O ARG A 59 2.657 -8.887 -25.467 1.00 0.00 O ATOM 971 CB ARG A 59 3.496 -11.958 -24.480 1.00 0.00 C ATOM 972 CG ARG A 59 4.828 -11.374 -24.042 1.00 0.00 C ATOM 973 CD ARG A 59 4.925 -11.279 -22.528 1.00 0.00 C ATOM 974 NE ARG A 59 5.627 -12.423 -21.952 1.00 0.00 N ATOM 975 CZ ARG A 59 6.199 -12.407 -20.753 1.00 0.00 C ATOM 976 NH1 ARG A 59 6.152 -11.312 -20.007 1.00 0.00 N ATOM 977 NH2 ARG A 59 6.819 -13.488 -20.298 1.00 0.00 N ATOM 0 H ARG A 59 4.813 -10.623 -26.270 1.00 0.00 H new ATOM 0 HA ARG A 59 2.185 -11.947 -26.183 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.788 -11.883 -23.655 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.627 -13.019 -24.693 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.640 -11.994 -24.421 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.953 -10.383 -24.478 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.444 -10.360 -22.255 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.923 -11.217 -22.104 1.00 0.00 H new ATOM 0 HE ARG A 59 5.681 -13.281 -22.500 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.676 -10.479 -20.353 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.592 -11.303 -19.087 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.857 -14.332 -20.869 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.258 -13.475 -19.377 1.00 0.00 H new ATOM 991 N PRO A 60 0.960 -10.173 -24.731 1.00 0.00 N ATOM 992 CA PRO A 60 0.133 -9.051 -24.278 1.00 0.00 C ATOM 993 C PRO A 60 0.716 -8.359 -23.051 1.00 0.00 C ATOM 994 O PRO A 60 0.867 -8.971 -21.994 1.00 0.00 O ATOM 995 CB PRO A 60 -1.204 -9.713 -23.934 1.00 0.00 C ATOM 996 CG PRO A 60 -0.856 -11.125 -23.614 1.00 0.00 C ATOM 997 CD PRO A 60 0.312 -11.474 -24.494 1.00 0.00 C ATOM 0 HA PRO A 60 0.056 -8.270 -25.034 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.683 -9.222 -23.087 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.900 -9.657 -24.771 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.597 -11.234 -22.561 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.700 -11.788 -23.805 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.987 -12.177 -24.006 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.011 -11.938 -25.426 1.00 0.00 H new ATOM 1005 N PHE A 61 1.042 -7.079 -23.198 1.00 0.00 N ATOM 1006 CA PHE A 61 1.609 -6.303 -22.101 1.00 0.00 C ATOM 1007 C PHE A 61 2.985 -6.836 -21.713 1.00 0.00 C ATOM 1008 O PHE A 61 3.131 -7.544 -20.717 1.00 0.00 O ATOM 1009 CB PHE A 61 0.676 -6.337 -20.889 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.765 -6.093 -21.234 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -1.191 -4.839 -21.639 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -1.693 -7.119 -21.154 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.517 -4.612 -21.957 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -3.020 -6.898 -21.471 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.432 -5.643 -21.874 1.00 0.00 C ATOM 0 H PHE A 61 0.923 -6.557 -24.066 1.00 0.00 H new ATOM 0 HA PHE A 61 1.719 -5.272 -22.437 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.765 -7.307 -20.400 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.001 -5.586 -20.169 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.479 -4.029 -21.707 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.376 -8.103 -20.840 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.837 -3.629 -22.270 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.734 -7.706 -21.404 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.468 -5.468 -22.124 1.00 0.00 H new ATOM 1025 N VAL A 62 3.993 -6.491 -22.509 1.00 0.00 N ATOM 1026 CA VAL A 62 5.358 -6.933 -22.250 1.00 0.00 C ATOM 1027 C VAL A 62 6.141 -5.877 -21.479 1.00 0.00 C ATOM 1028 O VAL A 62 6.633 -6.134 -20.379 1.00 0.00 O ATOM 1029 CB VAL A 62 6.102 -7.254 -23.560 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.271 -8.190 -23.294 1.00 0.00 C ATOM 1031 CG2 VAL A 62 5.148 -7.855 -24.581 1.00 0.00 C ATOM 0 H VAL A 62 3.889 -5.907 -23.339 1.00 0.00 H new ATOM 0 HA VAL A 62 5.288 -7.840 -21.649 1.00 0.00 H new ATOM 0 HB VAL A 62 6.498 -6.325 -23.970 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.785 -8.406 -24.231 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.965 -7.717 -22.600 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.902 -9.119 -22.860 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.691 -8.076 -25.500 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.721 -8.775 -24.182 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.348 -7.146 -24.793 1.00 0.00 H new ATOM 1041 N ILE A 63 6.252 -4.688 -22.061 1.00 0.00 N ATOM 1042 CA ILE A 63 6.974 -3.592 -21.428 1.00 0.00 C ATOM 1043 C ILE A 63 6.360 -3.236 -20.078 1.00 0.00 C ATOM 1044 O ILE A 63 7.047 -3.141 -19.061 1.00 0.00 O ATOM 1045 CB ILE A 63 6.987 -2.336 -22.320 1.00 0.00 C ATOM 1046 CG1 ILE A 63 7.737 -2.618 -23.624 1.00 0.00 C ATOM 1047 CG2 ILE A 63 7.621 -1.167 -21.580 1.00 0.00 C ATOM 1048 CD1 ILE A 63 9.198 -2.956 -23.419 1.00 0.00 C ATOM 0 H ILE A 63 5.851 -4.459 -22.970 1.00 0.00 H new ATOM 0 HA ILE A 63 7.999 -3.933 -21.280 1.00 0.00 H new ATOM 0 HB ILE A 63 5.958 -2.071 -22.564 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.250 -3.444 -24.142 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.662 -1.746 -24.273 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.623 -0.287 -22.223 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.049 -0.955 -20.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.646 -1.421 -21.309 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.667 -3.144 -24.385 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.699 -2.122 -22.929 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.281 -3.846 -22.796 1.00 0.00 H new ATOM 1060 N PRO A 64 5.034 -3.036 -20.066 1.00 0.00 N ATOM 1061 CA PRO A 64 4.296 -2.690 -18.847 1.00 0.00 C ATOM 1062 C PRO A 64 4.229 -3.851 -17.862 1.00 0.00 C ATOM 1063 O PRO A 64 3.776 -3.691 -16.728 1.00 0.00 O ATOM 1064 CB PRO A 64 2.898 -2.345 -19.365 1.00 0.00 C ATOM 1065 CG PRO A 64 2.772 -3.096 -20.645 1.00 0.00 C ATOM 1066 CD PRO A 64 4.152 -3.132 -21.241 1.00 0.00 C ATOM 0 HA PRO A 64 4.773 -1.879 -18.297 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.128 -2.643 -18.654 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.788 -1.272 -19.523 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.396 -4.104 -20.471 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.069 -2.605 -21.318 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.325 -4.052 -21.799 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.313 -2.305 -21.933 1.00 0.00 H new ATOM 1074 N PHE A 65 4.682 -5.021 -18.300 1.00 0.00 N ATOM 1075 CA PHE A 65 4.673 -6.210 -17.456 1.00 0.00 C ATOM 1076 C PHE A 65 5.710 -6.095 -16.343 1.00 0.00 C ATOM 1077 O PHE A 65 5.366 -6.054 -15.161 1.00 0.00 O ATOM 1078 CB PHE A 65 4.946 -7.460 -18.296 1.00 0.00 C ATOM 1079 CG PHE A 65 3.963 -8.570 -18.056 1.00 0.00 C ATOM 1080 CD1 PHE A 65 2.604 -8.308 -17.994 1.00 0.00 C ATOM 1081 CD2 PHE A 65 4.398 -9.875 -17.893 1.00 0.00 C ATOM 1082 CE1 PHE A 65 1.698 -9.328 -17.772 1.00 0.00 C ATOM 1083 CE2 PHE A 65 3.497 -10.899 -17.672 1.00 0.00 C ATOM 1084 CZ PHE A 65 2.144 -10.625 -17.612 1.00 0.00 C ATOM 0 H PHE A 65 5.060 -5.171 -19.235 1.00 0.00 H new ATOM 0 HA PHE A 65 3.686 -6.295 -17.001 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.926 -7.190 -19.352 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.951 -7.822 -18.078 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.249 -7.296 -18.120 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.454 -10.095 -17.939 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.641 -9.111 -17.724 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.850 -11.912 -17.546 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.437 -11.423 -17.440 1.00 0.00 H new ATOM 1094 N LEU A 66 6.980 -6.043 -16.729 1.00 0.00 N ATOM 1095 CA LEU A 66 8.069 -5.933 -15.764 1.00 0.00 C ATOM 1096 C LEU A 66 8.261 -4.486 -15.323 1.00 0.00 C ATOM 1097 O LEU A 66 8.896 -4.215 -14.303 1.00 0.00 O ATOM 1098 CB LEU A 66 9.367 -6.472 -16.367 1.00 0.00 C ATOM 1099 CG LEU A 66 9.572 -7.984 -16.278 1.00 0.00 C ATOM 1100 CD1 LEU A 66 9.625 -8.431 -14.825 1.00 0.00 C ATOM 1101 CD2 LEU A 66 8.466 -8.717 -17.024 1.00 0.00 C ATOM 0 H LEU A 66 7.281 -6.075 -17.703 1.00 0.00 H new ATOM 0 HA LEU A 66 7.808 -6.528 -14.889 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.404 -6.182 -17.417 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.205 -5.982 -15.871 1.00 0.00 H new ATOM 0 HG LEU A 66 10.524 -8.231 -16.747 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.771 -9.510 -14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.452 -7.932 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.689 -8.172 -14.330 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.628 -9.792 -16.950 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.501 -8.464 -16.584 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.476 -8.420 -18.073 1.00 0.00 H new ATOM 1113 N LYS A 67 7.707 -3.558 -16.096 1.00 0.00 N ATOM 1114 CA LYS A 67 7.814 -2.138 -15.785 1.00 0.00 C ATOM 1115 C LYS A 67 7.306 -1.850 -14.376 1.00 0.00 C ATOM 1116 O LYS A 67 7.836 -0.986 -13.679 1.00 0.00 O ATOM 1117 CB LYS A 67 7.025 -1.311 -16.802 1.00 0.00 C ATOM 1118 CG LYS A 67 7.896 -0.659 -17.862 1.00 0.00 C ATOM 1119 CD LYS A 67 8.700 0.497 -17.290 1.00 0.00 C ATOM 1120 CE LYS A 67 7.985 1.825 -17.487 1.00 0.00 C ATOM 1121 NZ LYS A 67 8.873 2.982 -17.188 1.00 0.00 N ATOM 0 H LYS A 67 7.179 -3.765 -16.944 1.00 0.00 H new ATOM 0 HA LYS A 67 8.866 -1.859 -15.837 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.292 -1.954 -17.290 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.468 -0.537 -16.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.574 -1.401 -18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.269 -0.299 -18.678 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.873 0.330 -16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.678 0.534 -17.770 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.629 1.897 -18.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.107 1.864 -16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.349 3.868 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.193 2.928 -16.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.698 2.959 -17.821 1.00 0.00 H new ATOM 1135 N ALA A 68 6.275 -2.581 -13.963 1.00 0.00 N ATOM 1136 CA ALA A 68 5.698 -2.406 -12.636 1.00 0.00 C ATOM 1137 C ALA A 68 6.068 -3.567 -11.719 1.00 0.00 C ATOM 1138 O ALA A 68 5.541 -3.689 -10.614 1.00 0.00 O ATOM 1139 CB ALA A 68 4.186 -2.269 -12.733 1.00 0.00 C ATOM 0 H ALA A 68 5.823 -3.300 -14.528 1.00 0.00 H new ATOM 0 HA ALA A 68 6.108 -1.493 -12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.768 -2.139 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.938 -1.403 -13.346 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.768 -3.167 -13.187 1.00 0.00 H new ATOM 1145 N ASN A 69 6.978 -4.416 -12.185 1.00 0.00 N ATOM 1146 CA ASN A 69 7.417 -5.568 -11.406 1.00 0.00 C ATOM 1147 C ASN A 69 8.926 -5.531 -11.184 1.00 0.00 C ATOM 1148 O ASN A 69 9.482 -6.376 -10.481 1.00 0.00 O ATOM 1149 CB ASN A 69 7.027 -6.867 -12.114 1.00 0.00 C ATOM 1150 CG ASN A 69 5.777 -7.493 -11.526 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.624 -7.159 -12.095 1.00 0.00 O flip ATOM 1152 ND2 ASN A 69 5.847 -8.269 -10.573 1.00 0.00 N flip ATOM 0 H ASN A 69 7.425 -4.328 -13.097 1.00 0.00 H new ATOM 0 HA ASN A 69 6.923 -5.528 -10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.866 -6.666 -13.173 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.852 -7.576 -12.046 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.754 -8.498 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.998 -8.684 -10.189 1.00 0.00 H new ATOM 1159 N LEU A 70 9.583 -4.546 -11.786 1.00 0.00 N ATOM 1160 CA LEU A 70 11.028 -4.396 -11.653 1.00 0.00 C ATOM 1161 C LEU A 70 11.449 -4.454 -10.188 1.00 0.00 C ATOM 1162 O LEU A 70 12.336 -5.216 -9.802 1.00 0.00 O ATOM 1163 CB LEU A 70 11.483 -3.075 -12.275 1.00 0.00 C ATOM 1164 CG LEU A 70 12.854 -3.089 -12.952 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.904 -3.673 -12.020 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.798 -3.874 -14.254 1.00 0.00 C ATOM 0 H LEU A 70 9.138 -3.839 -12.371 1.00 0.00 H new ATOM 0 HA LEU A 70 11.504 -5.222 -12.181 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.740 -2.768 -13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.493 -2.314 -11.495 1.00 0.00 H new ATOM 0 HG LEU A 70 13.134 -2.061 -13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.873 -3.675 -12.519 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.963 -3.069 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.629 -4.695 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.782 -3.873 -14.722 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.495 -4.900 -14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.076 -3.411 -14.927 1.00 0.00 H new ATOM 1178 N PRO A 71 10.798 -3.633 -9.352 1.00 0.00 N ATOM 1179 CA PRO A 71 11.086 -3.574 -7.916 1.00 0.00 C ATOM 1180 C PRO A 71 10.639 -4.834 -7.183 1.00 0.00 C ATOM 1181 O PRO A 71 10.981 -5.041 -6.018 1.00 0.00 O ATOM 1182 CB PRO A 71 10.277 -2.364 -7.441 1.00 0.00 C ATOM 1183 CG PRO A 71 9.167 -2.240 -8.427 1.00 0.00 C ATOM 1184 CD PRO A 71 9.729 -2.698 -9.744 1.00 0.00 C ATOM 0 HA PRO A 71 12.155 -3.494 -7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.895 -2.515 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.889 -1.462 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.314 -2.852 -8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.814 -1.211 -8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.971 -3.188 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.119 -1.863 -10.327 1.00 0.00 H new ATOM 1192 N LEU A 72 9.873 -5.673 -7.872 1.00 0.00 N ATOM 1193 CA LEU A 72 9.379 -6.915 -7.286 1.00 0.00 C ATOM 1194 C LEU A 72 10.322 -8.074 -7.592 1.00 0.00 C ATOM 1195 O LEU A 72 10.725 -8.815 -6.694 1.00 0.00 O ATOM 1196 CB LEU A 72 7.978 -7.229 -7.813 1.00 0.00 C ATOM 1197 CG LEU A 72 6.813 -6.683 -6.988 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.992 -7.027 -5.518 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.687 -5.177 -7.174 1.00 0.00 C ATOM 0 H LEU A 72 9.581 -5.516 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 72 9.332 -6.785 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.896 -6.835 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.872 -8.312 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 72 5.893 -7.151 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.153 -6.630 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.031 -8.110 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.920 -6.588 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.852 -4.806 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.608 -4.692 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.510 -4.954 -8.226 1.00 0.00 H new ATOM 1211 N LEU A 73 10.672 -8.225 -8.864 1.00 0.00 N ATOM 1212 CA LEU A 73 11.570 -9.293 -9.290 1.00 0.00 C ATOM 1213 C LEU A 73 12.907 -9.202 -8.561 1.00 0.00 C ATOM 1214 O LEU A 73 13.573 -10.213 -8.340 1.00 0.00 O ATOM 1215 CB LEU A 73 11.794 -9.226 -10.801 1.00 0.00 C ATOM 1216 CG LEU A 73 10.971 -10.200 -11.645 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.214 -11.633 -11.196 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.491 -9.858 -11.564 1.00 0.00 C ATOM 0 H LEU A 73 10.348 -7.621 -9.619 1.00 0.00 H new ATOM 0 HA LEU A 73 11.105 -10.247 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.576 -8.212 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.850 -9.407 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 73 11.288 -10.107 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.620 -12.312 -11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.271 -11.875 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.925 -11.741 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.921 -10.562 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.159 -9.921 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.331 -8.846 -11.935 1.00 0.00 H new ATOM 1230 N GLN A 74 13.292 -7.985 -8.191 1.00 0.00 N ATOM 1231 CA GLN A 74 14.549 -7.764 -7.486 1.00 0.00 C ATOM 1232 C GLN A 74 14.456 -8.245 -6.042 1.00 0.00 C ATOM 1233 O GLN A 74 15.450 -8.258 -5.316 1.00 0.00 O ATOM 1234 CB GLN A 74 14.922 -6.281 -7.519 1.00 0.00 C ATOM 1235 CG GLN A 74 13.836 -5.368 -6.971 1.00 0.00 C ATOM 1236 CD GLN A 74 14.071 -4.985 -5.524 1.00 0.00 C ATOM 1237 OE1 GLN A 74 14.106 -5.843 -4.640 1.00 0.00 O ATOM 1238 NE2 GLN A 74 14.233 -3.692 -5.272 1.00 0.00 N ATOM 0 H GLN A 74 12.752 -7.138 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 74 15.325 -8.338 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 74 15.835 -6.132 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.143 -5.993 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.786 -4.464 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.870 -5.865 -7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.197 -3.015 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.394 -3.375 -4.316 1.00 0.00 H new ATOM 1247 N ARG A 75 13.255 -8.640 -5.631 1.00 0.00 N ATOM 1248 CA ARG A 75 13.031 -9.120 -4.273 1.00 0.00 C ATOM 1249 C ARG A 75 13.165 -10.639 -4.205 1.00 0.00 C ATOM 1250 O ARG A 75 13.852 -11.172 -3.335 1.00 0.00 O ATOM 1251 CB ARG A 75 11.646 -8.697 -3.781 1.00 0.00 C ATOM 1252 CG ARG A 75 11.286 -7.263 -4.134 1.00 0.00 C ATOM 1253 CD ARG A 75 9.918 -6.883 -3.591 1.00 0.00 C ATOM 1254 NE ARG A 75 9.674 -5.445 -3.681 1.00 0.00 N ATOM 1255 CZ ARG A 75 10.177 -4.560 -2.829 1.00 0.00 C ATOM 1256 NH1 ARG A 75 10.949 -4.962 -1.828 1.00 0.00 N ATOM 1257 NH2 ARG A 75 9.910 -3.268 -2.976 1.00 0.00 N ATOM 0 H ARG A 75 12.422 -8.637 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 75 13.789 -8.676 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.898 -9.366 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.602 -8.818 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.040 -6.587 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.296 -7.140 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.147 -7.417 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.840 -7.200 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 75 9.085 -5.103 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.158 -5.954 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.334 -4.280 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.317 -2.954 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.297 -2.589 -2.320 1.00 0.00 H new ATOM 1271 N GLU A 76 12.503 -11.328 -5.129 1.00 0.00 N ATOM 1272 CA GLU A 76 12.547 -12.785 -5.172 1.00 0.00 C ATOM 1273 C GLU A 76 13.943 -13.276 -5.546 1.00 0.00 C ATOM 1274 O GLU A 76 14.272 -14.448 -5.359 1.00 0.00 O ATOM 1275 CB GLU A 76 11.522 -13.319 -6.174 1.00 0.00 C ATOM 1276 CG GLU A 76 11.802 -12.908 -7.610 1.00 0.00 C ATOM 1277 CD GLU A 76 11.230 -13.885 -8.619 1.00 0.00 C ATOM 1278 OE1 GLU A 76 11.850 -14.947 -8.835 1.00 0.00 O ATOM 1279 OE2 GLU A 76 10.162 -13.586 -9.193 1.00 0.00 O ATOM 0 H GLU A 76 11.930 -10.901 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 76 12.302 -13.160 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.501 -14.407 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.531 -12.965 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.381 -11.919 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.879 -12.828 -7.758 1.00 0.00 H new ATOM 1286 N LEU A 77 14.760 -12.372 -6.075 1.00 0.00 N ATOM 1287 CA LEU A 77 16.121 -12.712 -6.476 1.00 0.00 C ATOM 1288 C LEU A 77 16.883 -13.358 -5.323 1.00 0.00 C ATOM 1289 O LEU A 77 17.633 -14.315 -5.519 1.00 0.00 O ATOM 1290 CB LEU A 77 16.860 -11.461 -6.953 1.00 0.00 C ATOM 1291 CG LEU A 77 17.938 -11.682 -8.015 1.00 0.00 C ATOM 1292 CD1 LEU A 77 17.305 -11.966 -9.368 1.00 0.00 C ATOM 1293 CD2 LEU A 77 18.861 -10.475 -8.098 1.00 0.00 C ATOM 0 H LEU A 77 14.504 -11.398 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 77 16.064 -13.428 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.126 -10.759 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.322 -10.985 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 77 18.532 -12.549 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.088 -12.120 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.687 -12.862 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.685 -11.120 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.622 -10.650 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.281 -9.591 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.343 -10.318 -7.133 1.00 0.00 H new ATOM 1305 N LEU A 78 16.684 -12.830 -4.120 1.00 0.00 N ATOM 1306 CA LEU A 78 17.351 -13.356 -2.934 1.00 0.00 C ATOM 1307 C LEU A 78 16.951 -14.807 -2.683 1.00 0.00 C ATOM 1308 O LEU A 78 17.684 -15.562 -2.045 1.00 0.00 O ATOM 1309 CB LEU A 78 17.009 -12.502 -1.712 1.00 0.00 C ATOM 1310 CG LEU A 78 18.013 -11.405 -1.358 1.00 0.00 C ATOM 1311 CD1 LEU A 78 18.329 -10.556 -2.580 1.00 0.00 C ATOM 1312 CD2 LEU A 78 17.478 -10.537 -0.228 1.00 0.00 C ATOM 0 H LEU A 78 16.066 -12.038 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 78 18.427 -13.319 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 78 16.037 -12.037 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.903 -13.162 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 78 18.935 -11.878 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.045 -9.780 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.755 -11.186 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.414 -10.092 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.206 -9.761 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 78 16.542 -10.073 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.303 -11.154 0.653 1.00 0.00 H new ATOM 1324 N HIS A 79 15.785 -15.190 -3.192 1.00 0.00 N ATOM 1325 CA HIS A 79 15.288 -16.552 -3.026 1.00 0.00 C ATOM 1326 C HIS A 79 16.178 -17.548 -3.764 1.00 0.00 C ATOM 1327 O HIS A 79 16.529 -18.598 -3.227 1.00 0.00 O ATOM 1328 CB HIS A 79 13.851 -16.659 -3.535 1.00 0.00 C ATOM 1329 CG HIS A 79 12.963 -17.482 -2.654 1.00 0.00 C ATOM 1330 ND1 HIS A 79 12.119 -18.460 -3.138 1.00 0.00 N ATOM 1331 CD2 HIS A 79 12.792 -17.471 -1.311 1.00 0.00 C ATOM 1332 CE1 HIS A 79 11.466 -19.012 -2.131 1.00 0.00 C ATOM 1333 NE2 HIS A 79 11.856 -18.430 -1.012 1.00 0.00 N ATOM 0 H HIS A 79 15.166 -14.577 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 79 15.307 -16.793 -1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.431 -15.657 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 79 13.860 -17.093 -4.535 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.298 -16.828 -0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.737 -19.805 -2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.517 -18.656 -0.077 1.00 0.00 H new ATOM 1341 N ALA A 80 16.537 -17.211 -4.998 1.00 0.00 N ATOM 1342 CA ALA A 80 17.386 -18.075 -5.809 1.00 0.00 C ATOM 1343 C ALA A 80 18.720 -18.340 -5.118 1.00 0.00 C ATOM 1344 O ALA A 80 19.238 -19.456 -5.155 1.00 0.00 O ATOM 1345 CB ALA A 80 17.614 -17.456 -7.180 1.00 0.00 C ATOM 0 H ALA A 80 16.253 -16.346 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 80 16.875 -19.030 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.250 -18.112 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.656 -17.325 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.100 -16.487 -7.065 1.00 0.00 H new ATOM 1351 N ALA A 81 19.270 -17.307 -4.489 1.00 0.00 N ATOM 1352 CA ALA A 81 20.543 -17.428 -3.789 1.00 0.00 C ATOM 1353 C ALA A 81 20.485 -18.527 -2.733 1.00 0.00 C ATOM 1354 O ALA A 81 21.470 -19.227 -2.497 1.00 0.00 O ATOM 1355 CB ALA A 81 20.923 -16.101 -3.151 1.00 0.00 C ATOM 0 H ALA A 81 18.854 -16.377 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 81 21.306 -17.699 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.876 -16.206 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.014 -15.338 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.152 -15.806 -2.439 1.00 0.00 H new ATOM 1361 N ARG A 82 19.326 -18.673 -2.100 1.00 0.00 N ATOM 1362 CA ARG A 82 19.141 -19.686 -1.068 1.00 0.00 C ATOM 1363 C ARG A 82 19.301 -21.088 -1.647 1.00 0.00 C ATOM 1364 O ARG A 82 20.246 -21.805 -1.315 1.00 0.00 O ATOM 1365 CB ARG A 82 17.760 -19.543 -0.424 1.00 0.00 C ATOM 1366 CG ARG A 82 17.497 -18.161 0.151 1.00 0.00 C ATOM 1367 CD ARG A 82 18.351 -17.898 1.381 1.00 0.00 C ATOM 1368 NE ARG A 82 17.712 -16.962 2.302 1.00 0.00 N ATOM 1369 CZ ARG A 82 18.094 -16.795 3.563 1.00 0.00 C ATOM 1370 NH1 ARG A 82 19.108 -17.497 4.050 1.00 0.00 N ATOM 1371 NH2 ARG A 82 17.462 -15.924 4.339 1.00 0.00 N ATOM 0 H ARG A 82 18.501 -18.103 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 82 19.907 -19.537 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.996 -19.769 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.660 -20.283 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.705 -17.405 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.443 -18.069 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.544 -18.839 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.318 -17.500 1.073 1.00 0.00 H new ATOM 0 HE ARG A 82 16.929 -16.406 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 82 19.596 -18.167 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.400 -17.367 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.682 -15.382 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.756 -15.796 5.307 1.00 0.00 H new ATOM 1385 N LEU A 83 18.372 -21.474 -2.514 1.00 0.00 N ATOM 1386 CA LEU A 83 18.409 -22.791 -3.140 1.00 0.00 C ATOM 1387 C LEU A 83 19.710 -22.991 -3.911 1.00 0.00 C ATOM 1388 O LEU A 83 20.147 -24.121 -4.128 1.00 0.00 O ATOM 1389 CB LEU A 83 17.214 -22.965 -4.080 1.00 0.00 C ATOM 1390 CG LEU A 83 15.881 -23.309 -3.414 1.00 0.00 C ATOM 1391 CD1 LEU A 83 14.726 -22.680 -4.177 1.00 0.00 C ATOM 1392 CD2 LEU A 83 15.704 -24.818 -3.323 1.00 0.00 C ATOM 0 H LEU A 83 17.583 -20.894 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 83 18.356 -23.542 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.087 -22.043 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.453 -23.751 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 83 15.886 -22.902 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.785 -22.935 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.846 -21.597 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 83 14.718 -23.056 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.750 -25.044 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.720 -25.247 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.515 -25.244 -2.732 1.00 0.00 H new ATOM 1404 N ALA A 84 20.324 -21.887 -4.321 1.00 0.00 N ATOM 1405 CA ALA A 84 21.577 -21.940 -5.064 1.00 0.00 C ATOM 1406 C ALA A 84 22.770 -22.057 -4.121 1.00 0.00 C ATOM 1407 O ALA A 84 23.880 -22.380 -4.544 1.00 0.00 O ATOM 1408 CB ALA A 84 21.720 -20.711 -5.949 1.00 0.00 C ATOM 0 H ALA A 84 19.974 -20.944 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 84 21.558 -22.828 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.660 -20.765 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.890 -20.672 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.712 -19.814 -5.330 1.00 0.00 H new ATOM 1414 N LYS A 85 22.534 -21.790 -2.841 1.00 0.00 N ATOM 1415 CA LYS A 85 23.589 -21.866 -1.837 1.00 0.00 C ATOM 1416 C LYS A 85 24.666 -20.818 -2.099 1.00 0.00 C ATOM 1417 O LYS A 85 25.832 -21.016 -1.760 1.00 0.00 O ATOM 1418 CB LYS A 85 24.213 -23.263 -1.826 1.00 0.00 C ATOM 1419 CG LYS A 85 23.191 -24.386 -1.870 1.00 0.00 C ATOM 1420 CD LYS A 85 22.269 -24.348 -0.662 1.00 0.00 C ATOM 1421 CE LYS A 85 23.014 -24.691 0.619 1.00 0.00 C ATOM 1422 NZ LYS A 85 22.089 -25.152 1.691 1.00 0.00 N ATOM 0 H LYS A 85 21.622 -21.519 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 85 23.143 -21.667 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.883 -23.359 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 85 24.822 -23.373 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.600 -24.306 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.705 -25.346 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.826 -23.356 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.449 -25.051 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.749 -25.469 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.564 -23.816 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.635 -25.376 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.403 -24.400 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.583 -26.002 1.371 1.00 0.00 H new ATOM 1436 N GLN A 86 24.266 -19.703 -2.703 1.00 0.00 N ATOM 1437 CA GLN A 86 25.198 -18.625 -3.009 1.00 0.00 C ATOM 1438 C GLN A 86 24.593 -17.268 -2.665 1.00 0.00 C ATOM 1439 O GLN A 86 23.443 -17.181 -2.237 1.00 0.00 O ATOM 1440 CB GLN A 86 25.587 -18.663 -4.488 1.00 0.00 C ATOM 1441 CG GLN A 86 25.489 -20.047 -5.108 1.00 0.00 C ATOM 1442 CD GLN A 86 26.404 -20.218 -6.305 1.00 0.00 C ATOM 1443 OE1 GLN A 86 25.962 -19.737 -7.461 1.00 0.00 O flip ATOM 1444 NE2 GLN A 86 27.495 -20.775 -6.192 1.00 0.00 N flip ATOM 0 H GLN A 86 23.304 -19.523 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 86 26.092 -18.768 -2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 86 24.943 -17.980 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.608 -18.297 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 86 25.737 -20.796 -4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 86 24.459 -20.232 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 86 27.795 -21.130 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 86 28.100 -20.882 -7.006 1.00 0.00 H new ATOM 1453 N ASN A 87 25.376 -16.211 -2.854 1.00 0.00 N ATOM 1454 CA ASN A 87 24.918 -14.858 -2.562 1.00 0.00 C ATOM 1455 C ASN A 87 23.838 -14.425 -3.550 1.00 0.00 C ATOM 1456 O ASN A 87 23.759 -14.915 -4.676 1.00 0.00 O ATOM 1457 CB ASN A 87 26.091 -13.877 -2.611 1.00 0.00 C ATOM 1458 CG ASN A 87 26.463 -13.352 -1.238 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.823 -14.118 -0.344 1.00 0.00 O ATOM 1460 ND2 ASN A 87 26.376 -12.038 -1.064 1.00 0.00 N ATOM 0 H ASN A 87 26.331 -16.266 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 87 24.492 -14.854 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 87 26.956 -14.371 -3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.834 -13.040 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 87 26.612 -11.626 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.073 -11.441 -1.833 1.00 0.00 H new ATOM 1467 N PRO A 88 22.985 -13.483 -3.119 1.00 0.00 N ATOM 1468 CA PRO A 88 21.895 -12.962 -3.949 1.00 0.00 C ATOM 1469 C PRO A 88 22.405 -12.110 -5.107 1.00 0.00 C ATOM 1470 O PRO A 88 21.836 -12.126 -6.198 1.00 0.00 O ATOM 1471 CB PRO A 88 21.083 -12.107 -2.973 1.00 0.00 C ATOM 1472 CG PRO A 88 22.058 -11.706 -1.920 1.00 0.00 C ATOM 1473 CD PRO A 88 23.020 -12.854 -1.788 1.00 0.00 C ATOM 0 HA PRO A 88 21.320 -13.762 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.656 -11.236 -3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.252 -12.671 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 88 22.579 -10.790 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.553 -11.510 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.022 -12.511 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 88 22.712 -13.549 -1.007 1.00 0.00 H new ATOM 1481 N ALA A 89 23.480 -11.369 -4.861 1.00 0.00 N ATOM 1482 CA ALA A 89 24.067 -10.513 -5.885 1.00 0.00 C ATOM 1483 C ALA A 89 25.176 -11.239 -6.638 1.00 0.00 C ATOM 1484 O ALA A 89 25.551 -10.844 -7.741 1.00 0.00 O ATOM 1485 CB ALA A 89 24.602 -9.233 -5.259 1.00 0.00 C ATOM 0 H ALA A 89 23.962 -11.344 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 89 23.286 -10.256 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 89 25.038 -8.603 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.787 -8.698 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.365 -9.480 -4.521 1.00 0.00 H new ATOM 1491 N GLN A 90 25.698 -12.302 -6.034 1.00 0.00 N ATOM 1492 CA GLN A 90 26.765 -13.082 -6.648 1.00 0.00 C ATOM 1493 C GLN A 90 26.202 -14.301 -7.371 1.00 0.00 C ATOM 1494 O GLN A 90 26.905 -14.960 -8.138 1.00 0.00 O ATOM 1495 CB GLN A 90 27.777 -13.525 -5.589 1.00 0.00 C ATOM 1496 CG GLN A 90 28.221 -12.402 -4.666 1.00 0.00 C ATOM 1497 CD GLN A 90 29.218 -12.865 -3.622 1.00 0.00 C ATOM 1498 OE1 GLN A 90 29.975 -13.810 -3.846 1.00 0.00 O ATOM 1499 NE2 GLN A 90 29.224 -12.200 -2.472 1.00 0.00 N ATOM 0 H GLN A 90 25.399 -12.642 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 90 27.268 -12.449 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.339 -14.324 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.652 -13.943 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 90 28.666 -11.604 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 90 27.348 -11.980 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 90 28.579 -11.423 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 90 29.874 -12.467 -1.732 1.00 0.00 H new ATOM 1508 N TYR A 91 24.931 -14.596 -7.122 1.00 0.00 N ATOM 1509 CA TYR A 91 24.274 -15.737 -7.747 1.00 0.00 C ATOM 1510 C TYR A 91 24.461 -15.711 -9.261 1.00 0.00 C ATOM 1511 O TYR A 91 24.931 -16.681 -9.857 1.00 0.00 O ATOM 1512 CB TYR A 91 22.783 -15.745 -7.405 1.00 0.00 C ATOM 1513 CG TYR A 91 21.981 -16.738 -8.216 1.00 0.00 C ATOM 1514 CD1 TYR A 91 22.185 -18.105 -8.074 1.00 0.00 C ATOM 1515 CD2 TYR A 91 21.021 -16.309 -9.124 1.00 0.00 C ATOM 1516 CE1 TYR A 91 21.455 -19.016 -8.812 1.00 0.00 C ATOM 1517 CE2 TYR A 91 20.286 -17.213 -9.866 1.00 0.00 C ATOM 1518 CZ TYR A 91 20.506 -18.565 -9.706 1.00 0.00 C ATOM 1519 OH TYR A 91 19.777 -19.469 -10.444 1.00 0.00 O ATOM 0 H TYR A 91 24.335 -14.060 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 91 24.733 -16.646 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.663 -15.973 -6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.377 -14.746 -7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 91 22.927 -18.461 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.846 -15.251 -9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 91 21.626 -20.075 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.543 -16.863 -10.568 1.00 0.00 H new ATOM 0 HH TYR A 91 19.151 -18.988 -11.025 1.00 0.00 H new ATOM 1529 N LEU A 92 24.089 -14.594 -9.877 1.00 0.00 N ATOM 1530 CA LEU A 92 24.215 -14.439 -11.322 1.00 0.00 C ATOM 1531 C LEU A 92 25.593 -13.901 -11.693 1.00 0.00 C ATOM 1532 O LEU A 92 26.242 -14.407 -12.608 1.00 0.00 O ATOM 1533 CB LEU A 92 23.129 -13.501 -11.850 1.00 0.00 C ATOM 1534 CG LEU A 92 23.283 -13.047 -13.302 1.00 0.00 C ATOM 1535 CD1 LEU A 92 22.981 -14.192 -14.255 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.376 -11.859 -13.588 1.00 0.00 C ATOM 0 H LEU A 92 23.698 -13.783 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 92 24.093 -15.420 -11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 92 22.165 -13.999 -11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.101 -12.616 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 92 24.316 -12.736 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 92 23.096 -13.849 -15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.672 -15.014 -14.067 1.00 0.00 H new ATOM 0 HD13 LEU A 92 21.958 -14.535 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.499 -11.549 -14.626 1.00 0.00 H new ATOM 0 HD22 LEU A 92 21.338 -12.143 -13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 92 22.641 -11.032 -12.929 1.00 0.00 H new ATOM 1548 N ALA A 93 26.034 -12.873 -10.976 1.00 0.00 N ATOM 1549 CA ALA A 93 27.337 -12.269 -11.227 1.00 0.00 C ATOM 1550 C ALA A 93 28.434 -13.327 -11.269 1.00 0.00 C ATOM 1551 O ALA A 93 29.078 -13.525 -12.298 1.00 0.00 O ATOM 1552 CB ALA A 93 27.648 -11.224 -10.166 1.00 0.00 C ATOM 0 H ALA A 93 25.508 -12.441 -10.216 1.00 0.00 H new ATOM 0 HA ALA A 93 27.302 -11.782 -12.201 1.00 0.00 H new ATOM 0 HB1 ALA A 93 28.624 -10.781 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 93 26.885 -10.446 -10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 93 27.658 -11.695 -9.183 1.00 0.00 H new ATOM 1558 N GLN A 94 28.641 -14.002 -10.143 1.00 0.00 N ATOM 1559 CA GLN A 94 29.663 -15.039 -10.052 1.00 0.00 C ATOM 1560 C GLN A 94 31.009 -14.522 -10.548 1.00 0.00 C ATOM 1561 O GLN A 94 31.818 -15.282 -11.082 1.00 0.00 O ATOM 1562 CB GLN A 94 29.245 -16.268 -10.860 1.00 0.00 C ATOM 1563 CG GLN A 94 27.915 -16.861 -10.424 1.00 0.00 C ATOM 1564 CD GLN A 94 28.051 -17.787 -9.232 1.00 0.00 C ATOM 1565 OE1 GLN A 94 28.574 -18.984 -9.469 1.00 0.00 O flip ATOM 1566 NE2 GLN A 94 27.691 -17.430 -8.109 1.00 0.00 N flip ATOM 0 H GLN A 94 28.116 -13.850 -9.282 1.00 0.00 H new ATOM 0 HA GLN A 94 29.767 -15.321 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 29.184 -15.996 -11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 94 30.019 -17.030 -10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 94 27.226 -16.054 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 94 27.476 -17.410 -11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 94 27.294 -16.500 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 94 27.790 -18.064 -7.316 1.00 0.00 H new ATOM 1575 N HIS A 95 31.242 -13.226 -10.370 1.00 0.00 N ATOM 1576 CA HIS A 95 32.491 -12.608 -10.800 1.00 0.00 C ATOM 1577 C HIS A 95 33.585 -12.809 -9.755 1.00 0.00 C ATOM 1578 O HIS A 95 33.415 -12.453 -8.590 1.00 0.00 O ATOM 1579 CB HIS A 95 32.284 -11.115 -11.057 1.00 0.00 C ATOM 1580 CG HIS A 95 31.872 -10.800 -12.462 1.00 0.00 C ATOM 1581 ND1 HIS A 95 32.688 -11.018 -13.552 1.00 0.00 N ATOM 1582 CD2 HIS A 95 30.721 -10.284 -12.953 1.00 0.00 C ATOM 1583 CE1 HIS A 95 32.057 -10.647 -14.652 1.00 0.00 C ATOM 1584 NE2 HIS A 95 30.861 -10.198 -14.316 1.00 0.00 N ATOM 0 H HIS A 95 30.583 -12.583 -9.931 1.00 0.00 H new ATOM 0 HA HIS A 95 32.805 -13.089 -11.727 1.00 0.00 H new ATOM 0 HB2 HIS A 95 31.525 -10.739 -10.372 1.00 0.00 H new ATOM 0 HB3 HIS A 95 33.209 -10.584 -10.831 1.00 0.00 H new ATOM 0 HD2 HIS A 95 29.853 -9.994 -12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 95 32.452 -10.702 -15.656 1.00 0.00 H new ATOM 0 HE2 HIS A 95 30.156 -9.845 -14.964 1.00 0.00 H new ATOM 1592 N GLU A 96 34.706 -13.383 -10.182 1.00 0.00 N ATOM 1593 CA GLU A 96 35.826 -13.632 -9.282 1.00 0.00 C ATOM 1594 C GLU A 96 36.333 -12.330 -8.670 1.00 0.00 C ATOM 1595 O GLU A 96 36.670 -12.278 -7.488 1.00 0.00 O ATOM 1596 CB GLU A 96 36.962 -14.334 -10.029 1.00 0.00 C ATOM 1597 CG GLU A 96 38.080 -14.818 -9.120 1.00 0.00 C ATOM 1598 CD GLU A 96 39.083 -15.694 -9.845 1.00 0.00 C ATOM 1599 OE1 GLU A 96 38.663 -16.709 -10.439 1.00 0.00 O ATOM 1600 OE2 GLU A 96 40.287 -15.364 -9.819 1.00 0.00 O ATOM 0 H GLU A 96 34.862 -13.684 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 96 35.475 -14.278 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 96 36.555 -15.185 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 96 37.377 -13.649 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 96 38.596 -13.957 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 96 37.651 -15.376 -8.288 1.00 0.00 H new ATOM 1607 N GLN A 97 36.384 -11.281 -9.485 1.00 0.00 N ATOM 1608 CA GLN A 97 36.851 -9.979 -9.024 1.00 0.00 C ATOM 1609 C GLN A 97 35.788 -9.287 -8.177 1.00 0.00 C ATOM 1610 O GLN A 97 36.074 -8.794 -7.085 1.00 0.00 O ATOM 1611 CB GLN A 97 37.224 -9.096 -10.217 1.00 0.00 C ATOM 1612 CG GLN A 97 38.621 -9.357 -10.754 1.00 0.00 C ATOM 1613 CD GLN A 97 38.842 -8.751 -12.126 1.00 0.00 C ATOM 1614 OE1 GLN A 97 38.491 -9.347 -13.145 1.00 0.00 O ATOM 1615 NE2 GLN A 97 39.426 -7.559 -12.160 1.00 0.00 N ATOM 0 H GLN A 97 36.108 -11.307 -10.467 1.00 0.00 H new ATOM 0 HA GLN A 97 37.735 -10.136 -8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 97 36.501 -9.256 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 97 37.147 -8.050 -9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 97 39.355 -8.950 -10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 97 38.792 -10.432 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 97 39.701 -7.101 -11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 97 39.600 -7.102 -13.055 1.00 0.00 H new ATOM 1624 N LEU A 98 34.562 -9.255 -8.686 1.00 0.00 N ATOM 1625 CA LEU A 98 33.455 -8.624 -7.976 1.00 0.00 C ATOM 1626 C LEU A 98 33.232 -9.283 -6.619 1.00 0.00 C ATOM 1627 O LEU A 98 32.761 -8.645 -5.677 1.00 0.00 O ATOM 1628 CB LEU A 98 32.176 -8.704 -8.812 1.00 0.00 C ATOM 1629 CG LEU A 98 31.093 -7.677 -8.480 1.00 0.00 C ATOM 1630 CD1 LEU A 98 31.429 -6.328 -9.099 1.00 0.00 C ATOM 1631 CD2 LEU A 98 29.733 -8.162 -8.961 1.00 0.00 C ATOM 0 H LEU A 98 34.309 -9.659 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 98 33.710 -7.577 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 98 32.445 -8.593 -9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 98 31.751 -9.701 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 98 31.052 -7.557 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 98 30.647 -5.610 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 98 32.383 -5.975 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 98 31.498 -6.432 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 98 28.974 -7.419 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 98 29.761 -8.311 -10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 98 29.489 -9.105 -8.471 1.00 0.00 H new ATOM 1643 N LEU A 99 33.575 -10.563 -6.526 1.00 0.00 N ATOM 1644 CA LEU A 99 33.414 -11.309 -5.282 1.00 0.00 C ATOM 1645 C LEU A 99 34.151 -10.623 -4.136 1.00 0.00 C ATOM 1646 O LEU A 99 35.369 -10.747 -4.005 1.00 0.00 O ATOM 1647 CB LEU A 99 33.931 -12.739 -5.452 1.00 0.00 C ATOM 1648 CG LEU A 99 33.738 -13.669 -4.254 1.00 0.00 C ATOM 1649 CD1 LEU A 99 33.631 -15.115 -4.713 1.00 0.00 C ATOM 1650 CD2 LEU A 99 34.881 -13.506 -3.263 1.00 0.00 C ATOM 0 H LEU A 99 33.966 -11.106 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 99 32.352 -11.339 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 99 33.435 -13.183 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 99 34.995 -12.694 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 99 32.808 -13.398 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 99 33.494 -15.762 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 99 32.779 -15.222 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 99 34.543 -15.399 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 99 34.727 -14.176 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 99 35.824 -13.750 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 99 34.912 -12.475 -2.909 1.00 0.00 H new ATOM 1662 N LEU A 100 33.404 -9.901 -3.308 1.00 0.00 N ATOM 1663 CA LEU A 100 33.985 -9.196 -2.171 1.00 0.00 C ATOM 1664 C LEU A 100 35.163 -8.332 -2.610 1.00 0.00 C ATOM 1665 O LEU A 100 36.269 -8.458 -2.084 1.00 0.00 O ATOM 1666 CB LEU A 100 34.441 -10.195 -1.106 1.00 0.00 C ATOM 1667 CG LEU A 100 33.348 -10.736 -0.183 1.00 0.00 C ATOM 1668 CD1 LEU A 100 32.667 -9.598 0.562 1.00 0.00 C ATOM 1669 CD2 LEU A 100 32.330 -11.542 -0.977 1.00 0.00 C ATOM 0 H LEU A 100 32.395 -9.788 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 100 33.219 -8.546 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 100 34.916 -11.038 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 100 35.204 -9.718 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 100 33.812 -11.396 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 100 31.892 -10.002 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 100 33.404 -9.064 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 32.216 -8.912 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 100 31.560 -11.919 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.871 -10.905 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 100 32.829 -12.380 -1.463 1.00 0.00 H new ATOM 1681 N ASP A 101 34.918 -7.454 -3.576 1.00 0.00 N ATOM 1682 CA ASP A 101 35.957 -6.565 -4.084 1.00 0.00 C ATOM 1683 C ASP A 101 36.351 -5.533 -3.033 1.00 0.00 C ATOM 1684 O ASP A 101 35.818 -4.425 -3.006 1.00 0.00 O ATOM 1685 CB ASP A 101 35.479 -5.861 -5.355 1.00 0.00 C ATOM 1686 CG ASP A 101 36.368 -4.694 -5.739 1.00 0.00 C ATOM 1687 OD1 ASP A 101 37.605 -4.854 -5.702 1.00 0.00 O ATOM 1688 OD2 ASP A 101 35.825 -3.620 -6.074 1.00 0.00 O ATOM 0 H ASP A 101 34.009 -7.338 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 101 36.833 -7.168 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 101 35.451 -6.578 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 101 34.459 -5.505 -5.208 1.00 0.00 H new ATOM 1693 N ALA A 102 37.288 -5.906 -2.167 1.00 0.00 N ATOM 1694 CA ALA A 102 37.755 -5.013 -1.114 1.00 0.00 C ATOM 1695 C ALA A 102 39.027 -4.285 -1.535 1.00 0.00 C ATOM 1696 O ALA A 102 39.302 -3.178 -1.071 1.00 0.00 O ATOM 1697 CB ALA A 102 37.990 -5.791 0.172 1.00 0.00 C ATOM 0 H ALA A 102 37.739 -6.821 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 102 36.982 -4.265 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 102 38.339 -5.112 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 102 37.058 -6.259 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 102 38.742 -6.561 -0.001 1.00 0.00 H new ATOM 1703 N SER A 103 39.799 -4.914 -2.415 1.00 0.00 N ATOM 1704 CA SER A 103 41.045 -4.328 -2.895 1.00 0.00 C ATOM 1705 C SER A 103 40.829 -3.602 -4.219 1.00 0.00 C ATOM 1706 O SER A 103 41.755 -3.451 -5.014 1.00 0.00 O ATOM 1707 CB SER A 103 42.112 -5.411 -3.062 1.00 0.00 C ATOM 1708 OG SER A 103 41.577 -6.560 -3.697 1.00 0.00 O ATOM 0 H SER A 103 39.584 -5.829 -2.810 1.00 0.00 H new ATOM 0 HA SER A 103 41.386 -3.604 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 103 42.943 -5.020 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 103 42.513 -5.684 -2.086 1.00 0.00 H new ATOM 0 HG SER A 103 42.279 -7.237 -3.794 1.00 0.00 H new TER 1714 SER A 103