USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 711 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 3 GLN : amide:sc= -2.64! C(o=-2.6!,f=-12!) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -111:sc= 0.612 (180deg=0.0561) USER MOD Set 2.2: A 25 TYR OH : rot 112:sc= 0.112! USER MOD Set 2.3: A 45 ASN : amide:sc= -5.44! C(o=-4.7!,f=-6.3!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.245 F(o=-1.3!,f=-0.24) USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= -0.215 (180deg=-1.07) USER MOD Single : A 9 SER OG : rot -58:sc= 0.61 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0101 (180deg=-0.272) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-7.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.0789 (180deg=-0.649) USER MOD Single : A 30 ASN : amide:sc= -0.723 K(o=-0.72,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0201 (180deg=-0.294) USER MOD Single : A 36 ASN : amide:sc= -4.86! C(o=-4.9!,f=-10!) USER MOD Single : A 37 ASN : amide:sc= -3.44! C(o=-3.4!,f=-6.1!) USER MOD Single : A 50 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0842 K(o=-0.084,f=-2.4!) USER MOD Single : A 55 ASN : amide:sc= -1.96! C(o=-2!,f=-8.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00916 USER MOD Single : A 60 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.182 (180deg=-0.89) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.3) USER MOD Single : A 76 ASN : amide:sc= 0.558 K(o=0.56,f=-1.6!) USER MOD Single : A 78 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -10.562 12.962 -5.454 1.00 0.00 N ATOM 19 CA GLU A 2 -10.790 11.778 -4.635 1.00 0.00 C ATOM 20 C GLU A 2 -9.754 10.702 -4.951 1.00 0.00 C ATOM 21 O GLU A 2 -9.803 9.606 -4.404 1.00 0.00 O ATOM 22 CB GLU A 2 -12.196 11.231 -4.887 1.00 0.00 C ATOM 23 CG GLU A 2 -13.187 12.395 -4.969 1.00 0.00 C ATOM 24 CD GLU A 2 -14.609 11.861 -5.105 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.426 12.554 -5.687 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.859 10.767 -4.625 1.00 0.00 O ATOM 0 HA GLU A 2 -10.695 12.059 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.214 10.657 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.483 10.551 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.107 13.015 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.945 13.030 -5.821 1.00 0.00 H new ATOM 33 N GLN A 3 -8.826 11.028 -5.844 1.00 0.00 N ATOM 34 CA GLN A 3 -7.780 10.094 -6.243 1.00 0.00 C ATOM 35 C GLN A 3 -7.221 9.343 -5.049 1.00 0.00 C ATOM 36 O GLN A 3 -7.608 8.207 -4.778 1.00 0.00 O ATOM 37 CB GLN A 3 -6.645 10.864 -6.925 1.00 0.00 C ATOM 38 CG GLN A 3 -5.573 9.882 -7.426 1.00 0.00 C ATOM 39 CD GLN A 3 -4.251 10.121 -6.701 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.242 10.469 -5.519 1.00 0.00 O ATOM 41 NE2 GLN A 3 -3.127 9.954 -7.342 1.00 0.00 N ATOM 0 H GLN A 3 -8.777 11.936 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.218 9.370 -6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.038 11.444 -7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.203 11.573 -6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.905 8.857 -7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.433 10.004 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.136 9.666 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.239 10.112 -6.865 1.00 0.00 H new ATOM 50 N PHE A 4 -6.298 9.979 -4.341 1.00 0.00 N ATOM 51 CA PHE A 4 -5.692 9.343 -3.179 1.00 0.00 C ATOM 52 C PHE A 4 -6.782 8.746 -2.304 1.00 0.00 C ATOM 53 O PHE A 4 -6.642 7.633 -1.805 1.00 0.00 O ATOM 54 CB PHE A 4 -4.844 10.342 -2.387 1.00 0.00 C ATOM 55 CG PHE A 4 -5.746 11.279 -1.617 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.481 12.259 -2.294 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.847 11.167 -0.224 1.00 0.00 C ATOM 58 CE1 PHE A 4 -7.316 13.127 -1.581 1.00 0.00 C ATOM 59 CE2 PHE A 4 -6.682 12.034 0.490 1.00 0.00 C ATOM 60 CZ PHE A 4 -7.417 13.014 -0.188 1.00 0.00 C ATOM 0 H PHE A 4 -5.957 10.918 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.029 8.546 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.185 9.810 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.207 10.910 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.404 12.346 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.280 10.411 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.882 13.883 -2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.759 11.947 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.062 13.683 0.363 1.00 0.00 H new ATOM 70 N ASN A 5 -7.878 9.469 -2.143 1.00 0.00 N ATOM 71 CA ASN A 5 -8.982 8.957 -1.350 1.00 0.00 C ATOM 72 C ASN A 5 -9.467 7.641 -1.955 1.00 0.00 C ATOM 73 O ASN A 5 -9.953 6.761 -1.248 1.00 0.00 O ATOM 74 CB ASN A 5 -10.128 9.971 -1.323 1.00 0.00 C ATOM 75 CG ASN A 5 -11.086 9.642 -0.183 1.00 0.00 C ATOM 76 OD1 ASN A 5 -10.924 8.538 0.493 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 -12.005 10.411 0.098 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.026 10.396 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.643 8.787 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.731 10.978 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.661 9.956 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.129 11.273 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.643 10.186 0.861 1.00 0.00 H new ATOM 84 N ALA A 6 -9.333 7.526 -3.276 1.00 0.00 N ATOM 85 CA ALA A 6 -9.764 6.323 -3.982 1.00 0.00 C ATOM 86 C ALA A 6 -8.837 5.148 -3.679 1.00 0.00 C ATOM 87 O ALA A 6 -9.287 4.093 -3.227 1.00 0.00 O ATOM 88 CB ALA A 6 -9.786 6.592 -5.491 1.00 0.00 C ATOM 0 H ALA A 6 -8.932 8.248 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.766 6.063 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.108 5.693 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.479 7.405 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.786 6.869 -5.826 1.00 0.00 H new ATOM 94 N PHE A 7 -7.542 5.334 -3.916 1.00 0.00 N ATOM 95 CA PHE A 7 -6.575 4.274 -3.646 1.00 0.00 C ATOM 96 C PHE A 7 -6.594 3.940 -2.157 1.00 0.00 C ATOM 97 O PHE A 7 -6.533 2.775 -1.765 1.00 0.00 O ATOM 98 CB PHE A 7 -5.168 4.715 -4.092 1.00 0.00 C ATOM 99 CG PHE A 7 -4.190 4.600 -2.944 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.460 3.419 -2.764 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.014 5.673 -2.063 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.555 3.311 -1.701 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.110 5.566 -1.001 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.379 4.384 -0.820 1.00 0.00 C ATOM 0 H PHE A 7 -7.142 6.195 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.844 3.381 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.834 4.098 -4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.199 5.744 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.595 2.592 -3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.577 6.584 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.993 2.400 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.975 6.394 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.680 4.301 -0.001 1.00 0.00 H new ATOM 114 N LYS A 8 -6.697 4.981 -1.340 1.00 0.00 N ATOM 115 CA LYS A 8 -6.744 4.818 0.107 1.00 0.00 C ATOM 116 C LYS A 8 -7.949 3.981 0.518 1.00 0.00 C ATOM 117 O LYS A 8 -7.821 3.014 1.274 1.00 0.00 O ATOM 118 CB LYS A 8 -6.842 6.193 0.776 1.00 0.00 C ATOM 119 CG LYS A 8 -6.503 6.062 2.268 1.00 0.00 C ATOM 120 CD LYS A 8 -6.113 7.431 2.833 1.00 0.00 C ATOM 121 CE LYS A 8 -7.320 8.372 2.788 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.496 7.708 3.420 1.00 0.00 N ATOM 0 H LYS A 8 -6.750 5.949 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.834 4.309 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.157 6.892 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.847 6.598 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.360 5.665 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.684 5.356 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.761 7.325 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.290 7.852 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.090 9.300 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.550 8.636 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.078 8.421 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.065 7.238 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.167 7.002 4.109 1.00 0.00 H new ATOM 136 N SER A 9 -9.128 4.359 0.030 1.00 0.00 N ATOM 137 CA SER A 9 -10.331 3.622 0.383 1.00 0.00 C ATOM 138 C SER A 9 -10.164 2.165 -0.016 1.00 0.00 C ATOM 139 O SER A 9 -10.779 1.275 0.570 1.00 0.00 O ATOM 140 CB SER A 9 -11.561 4.223 -0.299 1.00 0.00 C ATOM 141 OG SER A 9 -11.703 3.655 -1.594 1.00 0.00 O ATOM 0 H SER A 9 -9.272 5.152 -0.595 1.00 0.00 H new ATOM 0 HA SER A 9 -10.482 3.689 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.453 4.028 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.458 5.306 -0.373 1.00 0.00 H new ATOM 0 HG SER A 9 -10.894 3.831 -2.119 1.00 0.00 H new ATOM 147 N LEU A 10 -9.307 1.927 -1.006 1.00 0.00 N ATOM 148 CA LEU A 10 -9.048 0.569 -1.457 1.00 0.00 C ATOM 149 C LEU A 10 -8.394 -0.221 -0.328 1.00 0.00 C ATOM 150 O LEU A 10 -8.705 -1.393 -0.112 1.00 0.00 O ATOM 151 CB LEU A 10 -8.125 0.589 -2.685 1.00 0.00 C ATOM 152 CG LEU A 10 -8.515 -0.529 -3.663 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.467 -0.628 -4.785 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.594 -1.868 -2.916 1.00 0.00 C ATOM 0 H LEU A 10 -8.787 2.650 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.989 0.095 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.192 1.556 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.089 0.462 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.488 -0.299 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.748 -1.423 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.418 0.319 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.491 -0.851 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.871 -2.658 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.624 -2.097 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.344 -1.801 -2.128 1.00 0.00 H new ATOM 166 N LEU A 11 -7.491 0.438 0.400 1.00 0.00 N ATOM 167 CA LEU A 11 -6.807 -0.208 1.514 1.00 0.00 C ATOM 168 C LEU A 11 -7.820 -0.619 2.572 1.00 0.00 C ATOM 169 O LEU A 11 -7.760 -1.732 3.089 1.00 0.00 O ATOM 170 CB LEU A 11 -5.768 0.736 2.132 1.00 0.00 C ATOM 171 CG LEU A 11 -4.461 0.687 1.328 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.774 2.058 1.384 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.534 -0.375 1.930 1.00 0.00 C ATOM 0 H LEU A 11 -7.220 1.408 0.239 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.293 -1.093 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.156 1.755 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.578 0.451 3.167 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.680 0.434 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.846 2.024 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.434 2.813 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.553 2.312 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.605 -0.412 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.314 -0.121 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.022 -1.349 1.891 1.00 0.00 H new ATOM 185 N LYS A 12 -8.755 0.274 2.888 1.00 0.00 N ATOM 186 CA LYS A 12 -9.778 -0.037 3.885 1.00 0.00 C ATOM 187 C LYS A 12 -10.181 -1.511 3.776 1.00 0.00 C ATOM 188 O LYS A 12 -10.054 -2.273 4.734 1.00 0.00 O ATOM 189 CB LYS A 12 -11.005 0.866 3.678 1.00 0.00 C ATOM 190 CG LYS A 12 -11.339 1.594 4.984 1.00 0.00 C ATOM 191 CD LYS A 12 -12.519 2.542 4.758 1.00 0.00 C ATOM 192 CE LYS A 12 -12.592 3.550 5.907 1.00 0.00 C ATOM 193 NZ LYS A 12 -11.509 4.561 5.749 1.00 0.00 N ATOM 0 H LYS A 12 -8.826 1.204 2.476 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.373 0.145 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.806 1.590 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.858 0.268 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.584 0.871 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.471 2.154 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.402 3.065 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.448 1.975 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.565 4.041 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.488 3.036 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.753 5.418 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.615 4.171 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.402 4.801 4.743 1.00 0.00 H new ATOM 207 N LYS A 13 -10.643 -1.904 2.593 1.00 0.00 N ATOM 208 CA LYS A 13 -11.037 -3.290 2.356 1.00 0.00 C ATOM 209 C LYS A 13 -9.918 -4.232 2.797 1.00 0.00 C ATOM 210 O LYS A 13 -10.168 -5.294 3.368 1.00 0.00 O ATOM 211 CB LYS A 13 -11.326 -3.491 0.857 1.00 0.00 C ATOM 212 CG LYS A 13 -12.824 -3.770 0.634 1.00 0.00 C ATOM 213 CD LYS A 13 -13.255 -3.239 -0.740 1.00 0.00 C ATOM 214 CE LYS A 13 -13.606 -1.752 -0.627 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.121 -1.264 -1.937 1.00 0.00 N ATOM 0 H LYS A 13 -10.754 -1.288 1.788 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.935 -3.513 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.028 -2.603 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.733 -4.322 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.017 -4.841 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.412 -3.294 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.453 -3.380 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.116 -3.800 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.356 -1.602 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.725 -1.180 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.360 -0.255 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.392 -1.394 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.972 -1.802 -2.198 1.00 0.00 H new ATOM 229 N HIS A 14 -8.683 -3.826 2.526 1.00 0.00 N ATOM 230 CA HIS A 14 -7.514 -4.617 2.891 1.00 0.00 C ATOM 231 C HIS A 14 -7.298 -4.621 4.402 1.00 0.00 C ATOM 232 O HIS A 14 -7.329 -5.673 5.041 1.00 0.00 O ATOM 233 CB HIS A 14 -6.270 -4.036 2.213 1.00 0.00 C ATOM 234 CG HIS A 14 -5.184 -5.080 2.187 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.616 -5.528 1.006 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.559 -5.779 3.191 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.695 -6.454 1.324 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.619 -6.646 2.643 1.00 0.00 N ATOM 0 H HIS A 14 -8.465 -2.949 2.052 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.683 -5.642 2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.510 -3.719 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.928 -3.152 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.766 -5.672 4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.090 -6.979 0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.004 -7.290 3.141 1.00 0.00 H new ATOM 247 N TYR A 15 -7.064 -3.438 4.963 1.00 0.00 N ATOM 248 CA TYR A 15 -6.825 -3.304 6.396 1.00 0.00 C ATOM 249 C TYR A 15 -8.142 -3.209 7.162 1.00 0.00 C ATOM 250 O TYR A 15 -8.192 -2.639 8.252 1.00 0.00 O ATOM 251 CB TYR A 15 -5.988 -2.042 6.656 1.00 0.00 C ATOM 252 CG TYR A 15 -4.515 -2.375 6.583 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.014 -3.108 5.500 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.651 -1.957 7.603 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.652 -3.421 5.438 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.290 -2.270 7.541 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.789 -3.004 6.459 1.00 0.00 C ATOM 258 OH TYR A 15 -0.446 -3.313 6.397 1.00 0.00 O ATOM 0 H TYR A 15 -7.035 -2.559 4.447 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.288 -4.187 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.233 -1.275 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.228 -1.632 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.679 -3.432 4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.037 -1.392 8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.266 -3.985 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.625 -1.946 8.328 1.00 0.00 H new ATOM 0 HH TYR A 15 0.010 -2.948 7.184 1.00 0.00 H new ATOM 268 N GLU A 16 -9.205 -3.770 6.599 1.00 0.00 N ATOM 269 CA GLU A 16 -10.502 -3.732 7.262 1.00 0.00 C ATOM 270 C GLU A 16 -10.401 -4.337 8.659 1.00 0.00 C ATOM 271 O GLU A 16 -11.102 -3.919 9.581 1.00 0.00 O ATOM 272 CB GLU A 16 -11.532 -4.509 6.438 1.00 0.00 C ATOM 273 CG GLU A 16 -12.941 -4.223 6.967 1.00 0.00 C ATOM 274 CD GLU A 16 -13.165 -4.963 8.282 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.734 -4.367 9.182 1.00 0.00 O ATOM 276 OE2 GLU A 16 -12.767 -6.111 8.369 1.00 0.00 O ATOM 0 H GLU A 16 -9.196 -4.250 5.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.819 -2.693 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.462 -4.223 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.323 -5.577 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.072 -3.151 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.684 -4.535 6.233 1.00 0.00 H new ATOM 283 N LYS A 17 -9.521 -5.323 8.807 1.00 0.00 N ATOM 284 CA LYS A 17 -9.327 -5.984 10.094 1.00 0.00 C ATOM 285 C LYS A 17 -8.152 -5.361 10.840 1.00 0.00 C ATOM 286 O LYS A 17 -7.753 -5.841 11.902 1.00 0.00 O ATOM 287 CB LYS A 17 -9.059 -7.476 9.880 1.00 0.00 C ATOM 288 CG LYS A 17 -10.206 -8.095 9.077 1.00 0.00 C ATOM 289 CD LYS A 17 -9.765 -9.448 8.514 1.00 0.00 C ATOM 290 CE LYS A 17 -10.886 -10.033 7.652 1.00 0.00 C ATOM 291 NZ LYS A 17 -10.349 -11.158 6.834 1.00 0.00 N ATOM 0 H LYS A 17 -8.933 -5.681 8.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.233 -5.858 10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.116 -7.614 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.962 -7.980 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.082 -8.222 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.496 -7.429 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.859 -9.328 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.524 -10.131 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.700 -10.386 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.300 -9.262 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.111 -11.556 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.587 -10.807 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.975 -11.897 7.463 1.00 0.00 H new ATOM 305 N THR A 18 -7.601 -4.291 10.275 1.00 0.00 N ATOM 306 CA THR A 18 -6.467 -3.605 10.887 1.00 0.00 C ATOM 307 C THR A 18 -6.716 -2.099 10.941 1.00 0.00 C ATOM 308 O THR A 18 -6.036 -1.325 10.268 1.00 0.00 O ATOM 309 CB THR A 18 -5.196 -3.885 10.081 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.161 -5.258 9.721 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.963 -3.545 10.923 1.00 0.00 C ATOM 0 H THR A 18 -7.920 -3.881 9.397 1.00 0.00 H new ATOM 0 HA THR A 18 -6.345 -3.977 11.904 1.00 0.00 H new ATOM 0 HB THR A 18 -5.196 -3.270 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.349 -5.440 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.061 -3.746 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.990 -2.491 11.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.959 -4.156 11.826 1.00 0.00 H new ATOM 319 N ILE A 19 -7.695 -1.692 11.744 1.00 0.00 N ATOM 320 CA ILE A 19 -8.021 -0.276 11.874 1.00 0.00 C ATOM 321 C ILE A 19 -7.002 0.423 12.773 1.00 0.00 C ATOM 322 O ILE A 19 -6.269 1.299 12.318 1.00 0.00 O ATOM 323 CB ILE A 19 -9.444 -0.116 12.436 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.796 1.375 12.566 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.547 -0.788 13.810 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.104 1.960 11.185 1.00 0.00 C ATOM 0 H ILE A 19 -8.271 -2.316 12.309 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.981 0.190 10.889 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.145 -0.592 11.750 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.657 1.498 13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.967 1.915 13.023 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.558 -0.669 14.199 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.318 -1.849 13.714 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.838 -0.324 14.496 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.353 3.017 11.285 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.231 1.852 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.948 1.429 10.745 1.00 0.00 H new ATOM 338 N GLY A 20 -6.968 0.037 14.049 1.00 0.00 N ATOM 339 CA GLY A 20 -6.040 0.636 15.006 1.00 0.00 C ATOM 340 C GLY A 20 -4.778 1.139 14.316 1.00 0.00 C ATOM 341 O GLY A 20 -4.497 2.336 14.321 1.00 0.00 O ATOM 0 H GLY A 20 -7.571 -0.686 14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.529 1.463 15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.773 -0.099 15.765 1.00 0.00 H new ATOM 345 N PHE A 21 -4.027 0.217 13.716 1.00 0.00 N ATOM 346 CA PHE A 21 -2.800 0.585 13.012 1.00 0.00 C ATOM 347 C PHE A 21 -3.002 1.903 12.275 1.00 0.00 C ATOM 348 O PHE A 21 -2.202 2.829 12.398 1.00 0.00 O ATOM 349 CB PHE A 21 -2.422 -0.512 12.014 1.00 0.00 C ATOM 350 CG PHE A 21 -1.049 -0.230 11.446 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.904 0.098 10.092 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.077 -0.298 12.274 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.369 0.356 9.568 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.347 -0.040 11.750 1.00 0.00 C ATOM 355 CZ PHE A 21 1.494 0.287 10.398 1.00 0.00 C ATOM 0 H PHE A 21 -4.243 -0.780 13.703 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.995 0.700 13.738 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.430 -1.484 12.507 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.157 -0.556 11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.773 0.152 9.453 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.035 -0.550 13.318 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.483 0.608 8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.216 -0.093 12.390 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.476 0.486 9.994 1.00 0.00 H new ATOM 365 N HIS A 22 -4.086 1.978 11.514 1.00 0.00 N ATOM 366 CA HIS A 22 -4.394 3.190 10.774 1.00 0.00 C ATOM 367 C HIS A 22 -4.635 4.345 11.742 1.00 0.00 C ATOM 368 O HIS A 22 -3.926 5.351 11.696 1.00 0.00 O ATOM 369 CB HIS A 22 -5.621 2.970 9.880 1.00 0.00 C ATOM 370 CG HIS A 22 -5.590 3.930 8.722 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.866 5.280 8.871 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.323 3.747 7.388 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.759 5.852 7.657 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.429 4.962 6.717 1.00 0.00 N ATOM 0 H HIS A 22 -4.759 1.221 11.395 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.546 3.441 10.137 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.635 1.944 9.513 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.534 3.114 10.458 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.069 2.803 6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.920 6.903 7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.286 5.135 5.722 1.00 0.00 H new ATOM 383 N ASP A 23 -5.618 4.206 12.625 1.00 0.00 N ATOM 384 CA ASP A 23 -5.900 5.262 13.592 1.00 0.00 C ATOM 385 C ASP A 23 -4.652 5.562 14.420 1.00 0.00 C ATOM 386 O ASP A 23 -4.642 6.480 15.242 1.00 0.00 O ATOM 387 CB ASP A 23 -7.047 4.835 14.515 1.00 0.00 C ATOM 388 CG ASP A 23 -7.825 6.059 14.989 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.198 6.973 15.500 1.00 0.00 O ATOM 390 OD2 ASP A 23 -9.034 6.066 14.833 1.00 0.00 O ATOM 0 H ASP A 23 -6.224 3.388 12.692 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.193 6.163 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.714 4.153 13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.650 4.292 15.373 1.00 0.00 H new ATOM 395 N LYS A 24 -3.608 4.771 14.201 1.00 0.00 N ATOM 396 CA LYS A 24 -2.354 4.933 14.925 1.00 0.00 C ATOM 397 C LYS A 24 -1.363 5.801 14.145 1.00 0.00 C ATOM 398 O LYS A 24 -0.844 6.776 14.688 1.00 0.00 O ATOM 399 CB LYS A 24 -1.744 3.550 15.210 1.00 0.00 C ATOM 400 CG LYS A 24 -1.869 3.222 16.703 1.00 0.00 C ATOM 401 CD LYS A 24 -0.840 4.033 17.507 1.00 0.00 C ATOM 402 CE LYS A 24 0.358 3.144 17.855 1.00 0.00 C ATOM 403 NZ LYS A 24 1.382 3.950 18.577 1.00 0.00 N ATOM 0 H LYS A 24 -3.606 4.008 13.524 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.564 5.441 15.866 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.253 2.789 14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.695 3.537 14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.876 3.450 17.051 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.710 2.156 16.864 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.509 4.895 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.297 4.417 18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.036 2.307 18.474 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.787 2.721 16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.219 4.071 17.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.987 4.883 18.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.656 3.460 19.452 1.00 0.00 H new ATOM 417 N TYR A 25 -1.082 5.453 12.887 1.00 0.00 N ATOM 418 CA TYR A 25 -0.127 6.240 12.101 1.00 0.00 C ATOM 419 C TYR A 25 -0.688 6.627 10.733 1.00 0.00 C ATOM 420 O TYR A 25 -0.893 7.809 10.455 1.00 0.00 O ATOM 421 CB TYR A 25 1.170 5.451 11.909 1.00 0.00 C ATOM 422 CG TYR A 25 1.687 4.985 13.250 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.699 3.619 13.560 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.161 5.918 14.180 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.186 3.187 14.799 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.646 5.485 15.419 1.00 0.00 C ATOM 427 CZ TYR A 25 2.659 4.120 15.729 1.00 0.00 C ATOM 428 OH TYR A 25 3.142 3.694 16.950 1.00 0.00 O ATOM 0 H TYR A 25 -1.489 4.654 12.401 1.00 0.00 H new ATOM 0 HA TYR A 25 0.069 7.157 12.657 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.993 4.594 11.259 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.917 6.075 11.417 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.333 2.899 12.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.152 6.971 13.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.197 2.134 15.037 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.011 6.205 16.137 1.00 0.00 H new ATOM 0 HH TYR A 25 4.106 3.862 16.997 1.00 0.00 H new ATOM 438 N ILE A 26 -0.906 5.636 9.875 1.00 0.00 N ATOM 439 CA ILE A 26 -1.414 5.900 8.529 1.00 0.00 C ATOM 440 C ILE A 26 -2.503 6.970 8.546 1.00 0.00 C ATOM 441 O ILE A 26 -2.833 7.543 7.507 1.00 0.00 O ATOM 442 CB ILE A 26 -1.967 4.615 7.905 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.024 3.445 8.207 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.084 4.792 6.390 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.411 3.831 7.849 1.00 0.00 C ATOM 0 H ILE A 26 -0.742 4.651 10.082 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.581 6.265 7.928 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.950 4.406 8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.086 3.179 9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.327 2.566 7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.477 3.878 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.758 5.621 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.100 5.004 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.077 2.996 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.468 4.075 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.712 4.698 8.438 1.00 0.00 H new ATOM 457 N LYS A 27 -3.057 7.242 9.723 1.00 0.00 N ATOM 458 CA LYS A 27 -4.104 8.251 9.842 1.00 0.00 C ATOM 459 C LYS A 27 -3.496 9.643 9.996 1.00 0.00 C ATOM 460 O LYS A 27 -4.016 10.622 9.459 1.00 0.00 O ATOM 461 CB LYS A 27 -4.995 7.951 11.048 1.00 0.00 C ATOM 462 CG LYS A 27 -6.111 8.998 11.126 1.00 0.00 C ATOM 463 CD LYS A 27 -7.207 8.516 12.079 1.00 0.00 C ATOM 464 CE LYS A 27 -8.423 9.437 11.970 1.00 0.00 C ATOM 465 NZ LYS A 27 -7.984 10.858 12.072 1.00 0.00 N ATOM 0 H LYS A 27 -2.803 6.784 10.598 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.704 8.224 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.423 6.952 10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.404 7.964 11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.707 9.949 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.529 9.172 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.491 7.492 11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.835 8.508 13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.934 9.271 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.137 9.209 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.794 11.454 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.242 10.941 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.609 11.172 11.154 1.00 0.00 H new ATOM 479 N ASP A 28 -2.396 9.724 10.740 1.00 0.00 N ATOM 480 CA ASP A 28 -1.726 11.002 10.970 1.00 0.00 C ATOM 481 C ASP A 28 -0.689 11.279 9.885 1.00 0.00 C ATOM 482 O ASP A 28 0.498 11.436 10.174 1.00 0.00 O ATOM 483 CB ASP A 28 -1.043 10.991 12.338 1.00 0.00 C ATOM 484 CG ASP A 28 -0.343 12.323 12.584 1.00 0.00 C ATOM 485 OD1 ASP A 28 -1.012 13.255 12.999 1.00 0.00 O ATOM 486 OD2 ASP A 28 0.854 12.392 12.354 1.00 0.00 O ATOM 0 H ASP A 28 -1.951 8.925 11.192 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.478 11.791 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.780 10.809 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.320 10.177 12.386 1.00 0.00 H new ATOM 491 N ILE A 29 -1.144 11.343 8.637 1.00 0.00 N ATOM 492 CA ILE A 29 -0.247 11.610 7.514 1.00 0.00 C ATOM 493 C ILE A 29 -0.940 12.506 6.491 1.00 0.00 C ATOM 494 O ILE A 29 -2.166 12.612 6.477 1.00 0.00 O ATOM 495 CB ILE A 29 0.177 10.294 6.853 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.150 9.552 7.779 1.00 0.00 C ATOM 497 CG2 ILE A 29 0.870 10.589 5.516 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.483 8.175 7.196 1.00 0.00 C ATOM 0 H ILE A 29 -2.122 11.215 8.377 1.00 0.00 H new ATOM 0 HA ILE A 29 0.641 12.120 7.888 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.703 9.676 6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.063 10.134 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.708 9.439 8.769 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.171 9.652 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.181 11.119 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.751 11.206 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.174 7.656 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.568 7.591 7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.944 8.297 6.216 1.00 0.00 H new ATOM 510 N ASN A 30 -0.149 13.150 5.638 1.00 0.00 N ATOM 511 CA ASN A 30 -0.704 14.035 4.620 1.00 0.00 C ATOM 512 C ASN A 30 0.353 14.396 3.580 1.00 0.00 C ATOM 513 O ASN A 30 0.304 15.473 2.984 1.00 0.00 O ATOM 514 CB ASN A 30 -1.233 15.313 5.273 1.00 0.00 C ATOM 515 CG ASN A 30 -0.114 16.007 6.042 1.00 0.00 C ATOM 516 OD1 ASN A 30 0.984 15.464 6.168 1.00 0.00 O ATOM 517 ND2 ASN A 30 -0.327 17.183 6.568 1.00 0.00 N ATOM 0 H ASN A 30 0.868 13.077 5.631 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.521 13.512 4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.631 15.983 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.055 15.073 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.417 17.653 7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.237 17.632 6.463 1.00 0.00 H new ATOM 524 N ARG A 31 1.307 13.494 3.364 1.00 0.00 N ATOM 525 CA ARG A 31 2.366 13.737 2.388 1.00 0.00 C ATOM 526 C ARG A 31 2.651 12.478 1.571 1.00 0.00 C ATOM 527 O ARG A 31 3.167 11.483 2.087 1.00 0.00 O ATOM 528 CB ARG A 31 3.643 14.196 3.097 1.00 0.00 C ATOM 529 CG ARG A 31 4.629 14.770 2.070 1.00 0.00 C ATOM 530 CD ARG A 31 4.325 16.253 1.821 1.00 0.00 C ATOM 531 NE ARG A 31 5.122 17.087 2.716 1.00 0.00 N ATOM 532 CZ ARG A 31 6.379 17.405 2.424 1.00 0.00 C ATOM 533 NH1 ARG A 31 6.921 16.972 1.318 1.00 0.00 N ATOM 534 NH2 ARG A 31 7.070 18.151 3.241 1.00 0.00 N ATOM 0 H ARG A 31 1.369 12.597 3.846 1.00 0.00 H new ATOM 0 HA ARG A 31 2.030 14.522 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.403 14.951 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.099 13.358 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.651 14.656 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.558 14.214 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.543 16.508 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.264 16.446 1.980 1.00 0.00 H new ATOM 0 HE ARG A 31 4.706 17.432 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.380 16.390 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.886 17.216 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.646 18.490 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.035 18.395 3.017 1.00 0.00 H new ATOM 548 N PHE A 32 2.311 12.546 0.288 1.00 0.00 N ATOM 549 CA PHE A 32 2.517 11.433 -0.634 1.00 0.00 C ATOM 550 C PHE A 32 2.859 11.978 -2.018 1.00 0.00 C ATOM 551 O PHE A 32 2.598 13.146 -2.310 1.00 0.00 O ATOM 552 CB PHE A 32 1.249 10.579 -0.715 1.00 0.00 C ATOM 553 CG PHE A 32 0.036 11.477 -0.672 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.398 12.007 0.549 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.653 11.781 -1.852 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.522 12.841 0.589 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.777 12.615 -1.812 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.212 13.144 -0.591 1.00 0.00 C ATOM 0 H PHE A 32 1.887 13.369 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 32 3.338 10.814 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.250 9.994 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.221 9.871 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.134 11.773 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.317 11.372 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.857 13.251 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.308 12.850 -2.723 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.080 13.786 -0.559 1.00 0.00 H new ATOM 568 N VAL A 33 3.451 11.141 -2.865 1.00 0.00 N ATOM 569 CA VAL A 33 3.829 11.580 -4.206 1.00 0.00 C ATOM 570 C VAL A 33 3.782 10.435 -5.213 1.00 0.00 C ATOM 571 O VAL A 33 4.412 9.390 -5.023 1.00 0.00 O ATOM 572 CB VAL A 33 5.241 12.165 -4.180 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.282 13.369 -3.235 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.229 11.099 -3.696 1.00 0.00 C ATOM 0 H VAL A 33 3.677 10.169 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 33 3.110 12.338 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 33 5.517 12.485 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.290 13.784 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.582 14.129 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.003 13.052 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.235 11.517 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.952 10.775 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.203 10.245 -4.373 1.00 0.00 H new ATOM 584 N PHE A 34 3.031 10.655 -6.294 1.00 0.00 N ATOM 585 CA PHE A 34 2.890 9.666 -7.361 1.00 0.00 C ATOM 586 C PHE A 34 3.234 10.312 -8.704 1.00 0.00 C ATOM 587 O PHE A 34 2.439 10.286 -9.644 1.00 0.00 O ATOM 588 CB PHE A 34 1.449 9.132 -7.385 1.00 0.00 C ATOM 589 CG PHE A 34 1.159 8.436 -8.699 1.00 0.00 C ATOM 590 CD1 PHE A 34 2.105 7.573 -9.268 1.00 0.00 C ATOM 591 CD2 PHE A 34 -0.061 8.660 -9.350 1.00 0.00 C ATOM 592 CE1 PHE A 34 1.830 6.936 -10.485 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.335 8.023 -10.566 1.00 0.00 C ATOM 594 CZ PHE A 34 0.611 7.162 -11.134 1.00 0.00 C ATOM 0 H PHE A 34 2.508 11.516 -6.453 1.00 0.00 H new ATOM 0 HA PHE A 34 3.571 8.835 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.299 8.437 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.748 9.954 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.046 7.399 -8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.791 9.325 -8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.559 6.270 -10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.277 8.196 -11.066 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.400 6.672 -12.073 1.00 0.00 H new ATOM 604 N LYS A 35 4.419 10.913 -8.779 1.00 0.00 N ATOM 605 CA LYS A 35 4.854 11.585 -10.005 1.00 0.00 C ATOM 606 C LYS A 35 6.158 10.988 -10.523 1.00 0.00 C ATOM 607 O LYS A 35 7.239 11.504 -10.248 1.00 0.00 O ATOM 608 CB LYS A 35 5.049 13.080 -9.735 1.00 0.00 C ATOM 609 CG LYS A 35 5.187 13.837 -11.064 1.00 0.00 C ATOM 610 CD LYS A 35 3.802 14.241 -11.578 1.00 0.00 C ATOM 611 CE LYS A 35 3.952 15.054 -12.865 1.00 0.00 C ATOM 612 NZ LYS A 35 4.534 16.388 -12.545 1.00 0.00 N ATOM 0 H LYS A 35 5.092 10.950 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 35 4.083 11.444 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.202 13.470 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.938 13.235 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.806 14.723 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.689 13.209 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.198 13.353 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.279 14.828 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.594 14.525 -13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.982 15.175 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.344 17.046 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.103 16.754 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.561 16.296 -12.412 1.00 0.00 H new ATOM 626 N ASN A 36 6.039 9.902 -11.282 1.00 0.00 N ATOM 627 CA ASN A 36 7.204 9.229 -11.851 1.00 0.00 C ATOM 628 C ASN A 36 6.841 7.802 -12.251 1.00 0.00 C ATOM 629 O ASN A 36 6.211 7.574 -13.283 1.00 0.00 O ATOM 630 CB ASN A 36 8.361 9.197 -10.841 1.00 0.00 C ATOM 631 CG ASN A 36 7.822 8.968 -9.433 1.00 0.00 C ATOM 632 OD1 ASN A 36 6.659 8.601 -9.264 1.00 0.00 O ATOM 633 ND2 ASN A 36 8.603 9.162 -8.406 1.00 0.00 N ATOM 0 H ASN A 36 5.146 9.468 -11.518 1.00 0.00 H new ATOM 0 HA ASN A 36 7.521 9.786 -12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.062 8.404 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.913 10.136 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.250 9.010 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.566 9.466 -8.548 1.00 0.00 H new ATOM 640 N ASN A 37 7.240 6.850 -11.417 1.00 0.00 N ATOM 641 CA ASN A 37 6.953 5.444 -11.673 1.00 0.00 C ATOM 642 C ASN A 37 6.917 4.673 -10.359 1.00 0.00 C ATOM 643 O ASN A 37 7.010 3.446 -10.343 1.00 0.00 O ATOM 644 CB ASN A 37 8.024 4.847 -12.587 1.00 0.00 C ATOM 645 CG ASN A 37 7.961 5.501 -13.964 1.00 0.00 C ATOM 646 OD1 ASN A 37 8.333 6.664 -14.117 1.00 0.00 O ATOM 647 ND2 ASN A 37 7.512 4.817 -14.981 1.00 0.00 N ATOM 0 H ASN A 37 7.763 7.025 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 37 5.982 5.368 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.011 4.996 -12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.876 3.771 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.469 5.246 -15.905 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.204 3.853 -14.851 1.00 0.00 H new ATOM 654 N VAL A 38 6.781 5.408 -9.257 1.00 0.00 N ATOM 655 CA VAL A 38 6.731 4.796 -7.934 1.00 0.00 C ATOM 656 C VAL A 38 5.865 5.634 -6.999 1.00 0.00 C ATOM 657 O VAL A 38 5.588 6.802 -7.275 1.00 0.00 O ATOM 658 CB VAL A 38 8.143 4.683 -7.353 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.100 3.885 -6.047 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.055 3.970 -8.354 1.00 0.00 C ATOM 0 H VAL A 38 6.704 6.425 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 38 6.298 3.800 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 38 8.531 5.682 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.106 3.806 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.454 4.393 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.709 2.887 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.060 3.891 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.665 2.972 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.091 4.539 -9.283 1.00 0.00 H new ATOM 670 N LEU A 39 5.443 5.030 -5.893 1.00 0.00 N ATOM 671 CA LEU A 39 4.611 5.725 -4.914 1.00 0.00 C ATOM 672 C LEU A 39 5.324 5.764 -3.567 1.00 0.00 C ATOM 673 O LEU A 39 5.637 4.717 -2.997 1.00 0.00 O ATOM 674 CB LEU A 39 3.265 4.994 -4.755 1.00 0.00 C ATOM 675 CG LEU A 39 2.207 5.615 -5.675 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.439 5.159 -7.116 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.815 5.163 -5.226 1.00 0.00 C ATOM 0 H LEU A 39 5.662 4.064 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 39 4.432 6.742 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.388 3.937 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.933 5.051 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 39 2.281 6.701 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.684 5.604 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.430 5.475 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.369 4.073 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.061 5.603 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.751 4.076 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.641 5.487 -4.200 1.00 0.00 H new ATOM 689 N LEU A 40 5.589 6.969 -3.062 1.00 0.00 N ATOM 690 CA LEU A 40 6.279 7.107 -1.780 1.00 0.00 C ATOM 691 C LEU A 40 5.388 7.834 -0.775 1.00 0.00 C ATOM 692 O LEU A 40 4.603 8.709 -1.141 1.00 0.00 O ATOM 693 CB LEU A 40 7.596 7.879 -1.981 1.00 0.00 C ATOM 694 CG LEU A 40 8.799 6.999 -1.610 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.061 7.550 -2.277 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.989 7.006 -0.092 1.00 0.00 C ATOM 0 H LEU A 40 5.341 7.850 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 40 6.504 6.115 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.680 8.201 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.594 8.779 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 40 8.619 5.980 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.914 6.925 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.931 7.549 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.238 8.569 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.843 6.381 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.168 8.026 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.092 6.615 0.389 1.00 0.00 H new ATOM 708 N ILE A 41 5.511 7.453 0.496 1.00 0.00 N ATOM 709 CA ILE A 41 4.705 8.062 1.553 1.00 0.00 C ATOM 710 C ILE A 41 5.528 8.254 2.828 1.00 0.00 C ATOM 711 O ILE A 41 6.297 7.377 3.223 1.00 0.00 O ATOM 712 CB ILE A 41 3.500 7.170 1.856 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.701 6.942 0.568 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.607 7.841 2.903 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.456 6.106 0.876 1.00 0.00 C ATOM 0 H ILE A 41 6.156 6.731 0.817 1.00 0.00 H new ATOM 0 HA ILE A 41 4.368 9.039 1.208 1.00 0.00 H new ATOM 0 HB ILE A 41 3.847 6.213 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.410 7.899 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.320 6.432 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.750 7.201 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.176 8.000 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.258 8.801 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.890 5.945 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.757 5.144 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.834 6.633 1.599 1.00 0.00 H new ATOM 727 N LEU A 42 5.368 9.413 3.458 1.00 0.00 N ATOM 728 CA LEU A 42 6.107 9.722 4.681 1.00 0.00 C ATOM 729 C LEU A 42 5.784 8.725 5.798 1.00 0.00 C ATOM 730 O LEU A 42 4.622 8.408 6.049 1.00 0.00 O ATOM 731 CB LEU A 42 5.756 11.144 5.151 1.00 0.00 C ATOM 732 CG LEU A 42 7.017 12.021 5.239 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.070 11.349 6.133 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.592 12.245 3.833 1.00 0.00 C ATOM 0 H LEU A 42 4.737 10.151 3.146 1.00 0.00 H new ATOM 0 HA LEU A 42 7.172 9.652 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.043 11.594 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.271 11.099 6.126 1.00 0.00 H new ATOM 0 HG LEU A 42 6.749 12.983 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.957 11.980 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.662 11.210 7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.339 10.380 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.485 12.867 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.851 11.284 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.849 12.744 3.211 1.00 0.00 H new ATOM 746 N LEU A 43 6.830 8.258 6.475 1.00 0.00 N ATOM 747 CA LEU A 43 6.674 7.319 7.582 1.00 0.00 C ATOM 748 C LEU A 43 7.936 7.304 8.442 1.00 0.00 C ATOM 749 O LEU A 43 8.950 6.719 8.063 1.00 0.00 O ATOM 750 CB LEU A 43 6.404 5.907 7.059 1.00 0.00 C ATOM 751 CG LEU A 43 5.973 5.003 8.226 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.470 5.154 8.480 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.282 3.544 7.886 1.00 0.00 C ATOM 0 H LEU A 43 7.797 8.515 6.276 1.00 0.00 H new ATOM 0 HA LEU A 43 5.825 7.644 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.625 5.932 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.300 5.505 6.585 1.00 0.00 H new ATOM 0 HG LEU A 43 6.521 5.297 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.174 4.510 9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.245 6.191 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.919 4.869 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.976 2.905 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.738 3.257 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.352 3.429 7.715 1.00 0.00 H new ATOM 765 N GLU A 44 7.869 7.956 9.600 1.00 0.00 N ATOM 766 CA GLU A 44 9.015 8.016 10.505 1.00 0.00 C ATOM 767 C GLU A 44 8.994 6.854 11.495 1.00 0.00 C ATOM 768 O GLU A 44 10.027 6.243 11.768 1.00 0.00 O ATOM 769 CB GLU A 44 9.004 9.341 11.268 1.00 0.00 C ATOM 770 CG GLU A 44 8.653 10.481 10.309 1.00 0.00 C ATOM 771 CD GLU A 44 7.154 10.481 10.026 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.776 10.078 8.939 1.00 0.00 O ATOM 773 OE2 GLU A 44 6.406 10.884 10.902 1.00 0.00 O ATOM 0 H GLU A 44 7.039 8.447 9.933 1.00 0.00 H new ATOM 0 HA GLU A 44 9.924 7.943 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.278 9.299 12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.979 9.520 11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.950 11.436 10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.207 10.367 9.377 1.00 0.00 H new ATOM 780 N ASN A 45 7.814 6.561 12.036 1.00 0.00 N ATOM 781 CA ASN A 45 7.670 5.475 13.005 1.00 0.00 C ATOM 782 C ASN A 45 8.561 4.293 12.633 1.00 0.00 C ATOM 783 O ASN A 45 8.396 3.683 11.578 1.00 0.00 O ATOM 784 CB ASN A 45 6.205 5.021 13.068 1.00 0.00 C ATOM 785 CG ASN A 45 5.532 5.583 14.318 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.166 4.828 15.219 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.352 6.870 14.427 1.00 0.00 N ATOM 0 H ASN A 45 6.948 7.056 11.822 1.00 0.00 H new ATOM 0 HA ASN A 45 7.978 5.845 13.983 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.674 5.358 12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.154 3.932 13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.907 7.254 15.261 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.656 7.493 13.679 1.00 0.00 H new ATOM 794 N GLU A 46 9.506 3.978 13.512 1.00 0.00 N ATOM 795 CA GLU A 46 10.422 2.871 13.272 1.00 0.00 C ATOM 796 C GLU A 46 9.662 1.556 13.160 1.00 0.00 C ATOM 797 O GLU A 46 9.956 0.730 12.295 1.00 0.00 O ATOM 798 CB GLU A 46 11.431 2.771 14.415 1.00 0.00 C ATOM 799 CG GLU A 46 12.337 1.560 14.188 1.00 0.00 C ATOM 800 CD GLU A 46 13.577 1.665 15.069 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.762 2.707 15.676 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.324 0.702 15.124 1.00 0.00 O ATOM 0 H GLU A 46 9.657 4.471 14.392 1.00 0.00 H new ATOM 0 HA GLU A 46 10.944 3.060 12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.028 3.681 14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.910 2.676 15.368 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.795 0.642 14.416 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.629 1.505 13.139 1.00 0.00 H new ATOM 809 N PHE A 47 8.688 1.360 14.042 1.00 0.00 N ATOM 810 CA PHE A 47 7.902 0.135 14.028 1.00 0.00 C ATOM 811 C PHE A 47 7.043 0.072 12.770 1.00 0.00 C ATOM 812 O PHE A 47 7.268 -0.764 11.895 1.00 0.00 O ATOM 813 CB PHE A 47 7.008 0.072 15.270 1.00 0.00 C ATOM 814 CG PHE A 47 6.091 -1.127 15.179 1.00 0.00 C ATOM 815 CD1 PHE A 47 6.628 -2.420 15.173 1.00 0.00 C ATOM 816 CD2 PHE A 47 4.703 -0.945 15.102 1.00 0.00 C ATOM 817 CE1 PHE A 47 5.779 -3.531 15.091 1.00 0.00 C ATOM 818 CE2 PHE A 47 3.855 -2.057 15.019 1.00 0.00 C ATOM 819 CZ PHE A 47 4.393 -3.349 15.013 1.00 0.00 C ATOM 0 H PHE A 47 8.427 2.027 14.768 1.00 0.00 H new ATOM 0 HA PHE A 47 8.583 -0.716 14.033 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.622 0.005 16.168 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.420 0.986 15.353 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.697 -2.561 15.232 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.288 0.052 15.107 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.194 -4.528 15.088 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.786 -1.917 14.960 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.739 -4.206 14.948 1.00 0.00 H new ATOM 829 N ALA A 48 6.056 0.958 12.693 1.00 0.00 N ATOM 830 CA ALA A 48 5.160 1.001 11.540 1.00 0.00 C ATOM 831 C ALA A 48 5.924 0.730 10.251 1.00 0.00 C ATOM 832 O ALA A 48 5.389 0.155 9.304 1.00 0.00 O ATOM 833 CB ALA A 48 4.507 2.379 11.444 1.00 0.00 C ATOM 0 H ALA A 48 5.855 1.654 13.411 1.00 0.00 H new ATOM 0 HA ALA A 48 4.399 0.232 11.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.840 2.406 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.936 2.575 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.279 3.140 11.329 1.00 0.00 H new ATOM 839 N ARG A 49 7.180 1.160 10.226 1.00 0.00 N ATOM 840 CA ARG A 49 8.025 0.981 9.054 1.00 0.00 C ATOM 841 C ARG A 49 8.618 -0.424 9.019 1.00 0.00 C ATOM 842 O ARG A 49 8.779 -1.013 7.950 1.00 0.00 O ATOM 843 CB ARG A 49 9.151 2.020 9.083 1.00 0.00 C ATOM 844 CG ARG A 49 9.761 2.190 7.685 1.00 0.00 C ATOM 845 CD ARG A 49 10.368 3.594 7.555 1.00 0.00 C ATOM 846 NE ARG A 49 11.560 3.552 6.715 1.00 0.00 N ATOM 847 CZ ARG A 49 12.739 3.196 7.214 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.843 2.862 8.471 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.792 3.179 6.444 1.00 0.00 N ATOM 0 H ARG A 49 7.635 1.635 11.005 1.00 0.00 H new ATOM 0 HA ARG A 49 7.418 1.115 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.763 2.976 9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.922 1.709 9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.528 1.434 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.996 2.042 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.635 4.277 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.623 3.981 8.542 1.00 0.00 H new ATOM 0 HE ARG A 49 11.487 3.800 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.019 2.874 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.749 2.589 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.709 3.439 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.698 2.906 6.825 1.00 0.00 H new ATOM 863 N ASN A 50 8.951 -0.949 10.191 1.00 0.00 N ATOM 864 CA ASN A 50 9.537 -2.280 10.281 1.00 0.00 C ATOM 865 C ASN A 50 8.657 -3.307 9.572 1.00 0.00 C ATOM 866 O ASN A 50 9.106 -4.031 8.685 1.00 0.00 O ATOM 867 CB ASN A 50 9.687 -2.677 11.751 1.00 0.00 C ATOM 868 CG ASN A 50 10.404 -4.020 11.858 1.00 0.00 C ATOM 869 OD1 ASN A 50 9.823 -5.060 11.548 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.637 -4.060 12.281 1.00 0.00 N ATOM 0 H ASN A 50 8.827 -0.477 11.087 1.00 0.00 H new ATOM 0 HA ASN A 50 10.514 -2.259 9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.248 -1.912 12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.706 -2.741 12.221 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.122 -4.954 12.355 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.116 -3.197 12.537 1.00 0.00 H new ATOM 877 N SER A 51 7.398 -3.357 9.999 1.00 0.00 N ATOM 878 CA SER A 51 6.416 -4.288 9.449 1.00 0.00 C ATOM 879 C SER A 51 5.994 -3.913 8.029 1.00 0.00 C ATOM 880 O SER A 51 5.940 -4.766 7.141 1.00 0.00 O ATOM 881 CB SER A 51 5.178 -4.294 10.354 1.00 0.00 C ATOM 882 OG SER A 51 5.120 -5.528 11.058 1.00 0.00 O ATOM 0 H SER A 51 7.030 -2.754 10.735 1.00 0.00 H new ATOM 0 HA SER A 51 6.878 -5.275 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.223 -3.462 11.057 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.276 -4.159 9.757 1.00 0.00 H new ATOM 0 HG SER A 51 4.331 -5.536 11.639 1.00 0.00 H new ATOM 888 N LEU A 52 5.672 -2.642 7.821 1.00 0.00 N ATOM 889 CA LEU A 52 5.231 -2.193 6.508 1.00 0.00 C ATOM 890 C LEU A 52 6.179 -2.683 5.416 1.00 0.00 C ATOM 891 O LEU A 52 5.751 -3.347 4.472 1.00 0.00 O ATOM 892 CB LEU A 52 5.133 -0.662 6.471 1.00 0.00 C ATOM 893 CG LEU A 52 3.758 -0.213 6.994 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.713 1.315 7.071 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.649 -0.706 6.049 1.00 0.00 C ATOM 0 H LEU A 52 5.707 -1.914 8.534 1.00 0.00 H new ATOM 0 HA LEU A 52 4.244 -2.616 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.924 -0.223 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.279 -0.304 5.452 1.00 0.00 H new ATOM 0 HG LEU A 52 3.600 -0.636 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.738 1.632 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.491 1.668 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.878 1.734 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.679 -0.384 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.807 -0.290 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.674 -1.794 5.995 1.00 0.00 H new ATOM 907 N ASN A 53 7.459 -2.353 5.537 1.00 0.00 N ATOM 908 CA ASN A 53 8.426 -2.776 4.529 1.00 0.00 C ATOM 909 C ASN A 53 8.669 -4.281 4.608 1.00 0.00 C ATOM 910 O ASN A 53 9.254 -4.867 3.697 1.00 0.00 O ATOM 911 CB ASN A 53 9.745 -2.018 4.697 1.00 0.00 C ATOM 912 CG ASN A 53 10.574 -2.122 3.422 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.058 -2.514 2.374 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.837 -1.794 3.446 1.00 0.00 N ATOM 0 H ASN A 53 7.847 -1.806 6.305 1.00 0.00 H new ATOM 0 HA ASN A 53 8.013 -2.545 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.545 -0.971 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.304 -2.427 5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.398 -1.862 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.263 -1.470 4.314 1.00 0.00 H new ATOM 921 N ASP A 54 8.202 -4.911 5.683 1.00 0.00 N ATOM 922 CA ASP A 54 8.369 -6.354 5.827 1.00 0.00 C ATOM 923 C ASP A 54 7.461 -7.066 4.831 1.00 0.00 C ATOM 924 O ASP A 54 7.761 -8.166 4.364 1.00 0.00 O ATOM 925 CB ASP A 54 8.017 -6.795 7.250 1.00 0.00 C ATOM 926 CG ASP A 54 8.594 -8.180 7.525 1.00 0.00 C ATOM 927 OD1 ASP A 54 7.896 -8.981 8.125 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.724 -8.418 7.133 1.00 0.00 O ATOM 0 H ASP A 54 7.714 -4.455 6.454 1.00 0.00 H new ATOM 0 HA ASP A 54 9.410 -6.612 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.412 -6.078 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.935 -6.811 7.377 1.00 0.00 H new ATOM 933 N ASN A 55 6.347 -6.413 4.514 1.00 0.00 N ATOM 934 CA ASN A 55 5.375 -6.958 3.570 1.00 0.00 C ATOM 935 C ASN A 55 4.407 -5.865 3.126 1.00 0.00 C ATOM 936 O ASN A 55 3.308 -5.741 3.666 1.00 0.00 O ATOM 937 CB ASN A 55 4.595 -8.099 4.223 1.00 0.00 C ATOM 938 CG ASN A 55 3.975 -7.622 5.532 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.366 -6.582 6.062 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.028 -8.325 6.090 1.00 0.00 N ATOM 0 H ASN A 55 6.094 -5.503 4.898 1.00 0.00 H new ATOM 0 HA ASN A 55 5.908 -7.340 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.815 -8.451 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.258 -8.943 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.610 -8.013 6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.705 -9.186 5.649 1.00 0.00 H new ATOM 947 N SER A 56 4.827 -5.065 2.148 1.00 0.00 N ATOM 948 CA SER A 56 3.995 -3.971 1.648 1.00 0.00 C ATOM 949 C SER A 56 3.524 -4.243 0.222 1.00 0.00 C ATOM 950 O SER A 56 3.798 -3.465 -0.692 1.00 0.00 O ATOM 951 CB SER A 56 4.788 -2.663 1.685 1.00 0.00 C ATOM 952 OG SER A 56 6.135 -2.920 1.312 1.00 0.00 O ATOM 0 H SER A 56 5.733 -5.152 1.688 1.00 0.00 H new ATOM 0 HA SER A 56 3.117 -3.891 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.343 -1.935 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.752 -2.230 2.685 1.00 0.00 H new ATOM 0 HG SER A 56 6.646 -2.084 1.333 1.00 0.00 H new ATOM 958 N GLU A 57 2.807 -5.346 0.040 1.00 0.00 N ATOM 959 CA GLU A 57 2.295 -5.699 -1.279 1.00 0.00 C ATOM 960 C GLU A 57 1.151 -4.768 -1.666 1.00 0.00 C ATOM 961 O GLU A 57 0.139 -5.205 -2.210 1.00 0.00 O ATOM 962 CB GLU A 57 1.802 -7.147 -1.278 1.00 0.00 C ATOM 963 CG GLU A 57 2.982 -8.088 -1.023 1.00 0.00 C ATOM 964 CD GLU A 57 3.371 -8.047 0.452 1.00 0.00 C ATOM 965 OE1 GLU A 57 4.483 -7.634 0.739 1.00 0.00 O ATOM 966 OE2 GLU A 57 2.551 -8.428 1.271 1.00 0.00 O ATOM 0 H GLU A 57 2.569 -6.005 0.781 1.00 0.00 H new ATOM 0 HA GLU A 57 3.100 -5.594 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.042 -7.283 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.334 -7.384 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.715 -9.105 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.831 -7.795 -1.640 1.00 0.00 H new ATOM 973 N ILE A 58 1.316 -3.481 -1.371 1.00 0.00 N ATOM 974 CA ILE A 58 0.286 -2.496 -1.681 1.00 0.00 C ATOM 975 C ILE A 58 0.060 -2.398 -3.188 1.00 0.00 C ATOM 976 O ILE A 58 -0.799 -1.646 -3.646 1.00 0.00 O ATOM 977 CB ILE A 58 0.686 -1.128 -1.120 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.199 -1.297 0.315 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.521 -0.179 -1.127 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.200 -2.122 1.132 1.00 0.00 C ATOM 0 H ILE A 58 2.148 -3.099 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.646 -2.817 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 58 1.472 -0.703 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.171 -1.790 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.341 -0.320 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.224 0.790 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.880 -0.054 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.317 -0.598 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.571 -2.238 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.763 -1.611 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.080 -3.104 0.675 1.00 0.00 H new ATOM 992 N ILE A 59 0.820 -3.177 -3.955 1.00 0.00 N ATOM 993 CA ILE A 59 0.668 -3.178 -5.408 1.00 0.00 C ATOM 994 C ILE A 59 -0.392 -4.205 -5.797 1.00 0.00 C ATOM 995 O ILE A 59 -0.751 -4.347 -6.965 1.00 0.00 O ATOM 996 CB ILE A 59 2.008 -3.507 -6.077 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.780 -3.853 -7.555 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.658 -4.694 -5.366 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.089 -3.682 -8.330 1.00 0.00 C ATOM 0 H ILE A 59 1.539 -3.808 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 59 0.352 -2.191 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 59 2.665 -2.640 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.422 -4.878 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.009 -3.207 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.610 -4.927 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.828 -4.442 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.000 -5.561 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.925 -3.928 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.428 -2.649 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.847 -4.347 -7.915 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.896 -4.901 -4.784 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.936 -5.913 -4.959 1.00 0.00 C ATOM 1013 C HIS A 60 -3.300 -5.256 -5.157 1.00 0.00 C ATOM 1014 O HIS A 60 -4.220 -5.877 -5.689 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.981 -6.814 -3.721 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.883 -7.840 -3.805 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.257 -7.644 -4.568 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.739 -9.078 -3.229 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.030 -8.737 -4.433 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.469 -9.643 -3.627 1.00 0.00 N ATOM 0 H HIS A 60 -0.596 -4.781 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.702 -6.505 -5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.865 -6.215 -2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.950 -7.308 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.455 -9.543 -2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.987 -8.866 -4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.845 -10.553 -3.361 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.429 -4.002 -4.736 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.693 -3.280 -4.884 1.00 0.00 C ATOM 1031 C LEU A 61 -4.488 -2.036 -5.742 1.00 0.00 C ATOM 1032 O LEU A 61 -5.329 -1.693 -6.573 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.239 -2.877 -3.505 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.501 -3.645 -2.403 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.076 -3.090 -2.247 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.268 -3.495 -1.081 1.00 0.00 C ATOM 0 H LEU A 61 -2.683 -3.466 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.414 -3.935 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.117 -1.804 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.307 -3.087 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.442 -4.700 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.555 -3.639 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.537 -3.202 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.124 -2.034 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.747 -4.040 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.329 -2.440 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.274 -3.898 -1.196 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.366 -1.366 -5.525 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.045 -0.155 -6.269 1.00 0.00 C ATOM 1050 C ALA A 62 -2.862 -0.443 -7.758 1.00 0.00 C ATOM 1051 O ALA A 62 -2.774 0.482 -8.564 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.758 0.461 -5.714 1.00 0.00 C ATOM 0 H ALA A 62 -2.662 -1.640 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.877 0.539 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.519 1.367 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.897 0.708 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.940 -0.253 -5.814 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.800 -1.720 -8.128 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.619 -2.073 -9.535 1.00 0.00 C ATOM 1060 C GLU A 63 -3.932 -1.927 -10.300 1.00 0.00 C ATOM 1061 O GLU A 63 -4.087 -2.467 -11.394 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.101 -3.510 -9.663 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.105 -4.492 -9.030 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.365 -5.664 -9.973 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -4.502 -5.830 -10.381 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -2.422 -6.378 -10.273 1.00 0.00 O ATOM 0 H GLU A 63 -2.871 -2.512 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.885 -1.391 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.950 -3.758 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.132 -3.601 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.715 -4.860 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.041 -3.977 -8.813 1.00 0.00 H new ATOM 1073 N SER A 64 -4.872 -1.194 -9.710 1.00 0.00 N ATOM 1074 CA SER A 64 -6.176 -0.977 -10.333 1.00 0.00 C ATOM 1075 C SER A 64 -6.409 0.510 -10.583 1.00 0.00 C ATOM 1076 O SER A 64 -6.425 0.964 -11.726 1.00 0.00 O ATOM 1077 CB SER A 64 -7.279 -1.514 -9.421 1.00 0.00 C ATOM 1078 OG SER A 64 -7.189 -2.932 -9.362 1.00 0.00 O ATOM 0 H SER A 64 -4.757 -0.741 -8.804 1.00 0.00 H new ATOM 0 HA SER A 64 -6.196 -1.504 -11.287 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.180 -1.090 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.257 -1.215 -9.799 1.00 0.00 H new ATOM 0 HG SER A 64 -7.894 -3.280 -8.777 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.594 1.260 -9.501 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.833 2.696 -9.600 1.00 0.00 C ATOM 1086 C LEU A 65 -5.955 3.322 -10.679 1.00 0.00 C ATOM 1087 O LEU A 65 -6.298 4.361 -11.243 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.543 3.360 -8.250 1.00 0.00 C ATOM 1089 CG LEU A 65 -6.857 4.859 -8.319 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.350 5.069 -8.606 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.500 5.508 -6.979 1.00 0.00 C ATOM 0 H LEU A 65 -6.583 0.898 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.877 2.854 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.142 2.891 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.497 3.212 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.273 5.314 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.565 6.137 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.606 4.605 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.941 4.615 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.721 6.575 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.086 5.047 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.439 5.365 -6.777 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.819 2.688 -10.960 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.895 3.198 -11.970 1.00 0.00 C ATOM 1105 C TYR A 66 -3.712 2.184 -13.095 1.00 0.00 C ATOM 1106 O TYR A 66 -4.443 1.198 -13.180 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.540 3.498 -11.327 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.734 4.419 -10.144 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.667 5.807 -10.319 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.981 3.886 -8.872 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.846 6.661 -9.223 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.160 4.740 -7.778 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.093 6.127 -7.953 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.270 6.969 -6.873 1.00 0.00 O ATOM 0 H TYR A 66 -4.517 1.826 -10.506 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.313 4.113 -12.389 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.065 2.571 -11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.874 3.961 -12.056 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.477 6.219 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.033 2.816 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.793 7.731 -9.358 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.350 4.328 -6.798 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.433 6.437 -6.066 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.734 2.437 -13.960 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.463 1.549 -15.079 1.00 0.00 C ATOM 1126 C GLU A 67 -1.730 0.297 -14.597 1.00 0.00 C ATOM 1127 O GLU A 67 -2.232 -0.819 -14.733 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.622 2.296 -16.123 1.00 0.00 C ATOM 1129 CG GLU A 67 -0.741 1.312 -16.893 1.00 0.00 C ATOM 1130 CD GLU A 67 -0.243 1.954 -18.184 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -0.791 1.640 -19.227 1.00 0.00 O ATOM 1132 OE2 GLU A 67 0.679 2.749 -18.109 1.00 0.00 O ATOM 0 H GLU A 67 -2.119 3.249 -13.905 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.404 1.237 -15.532 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.276 2.828 -16.814 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.000 3.045 -15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.106 1.011 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.306 0.408 -17.121 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.541 0.493 -14.037 1.00 0.00 N ATOM 1140 CA GLY A 68 0.252 -0.625 -13.541 1.00 0.00 C ATOM 1141 C GLY A 68 1.360 -0.142 -12.611 1.00 0.00 C ATOM 1142 O GLY A 68 2.499 0.053 -13.035 1.00 0.00 O ATOM 0 H GLY A 68 -0.108 1.409 -13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.393 -1.325 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.688 -1.167 -14.381 1.00 0.00 H new ATOM 1146 N ILE A 69 1.016 0.052 -11.341 1.00 0.00 N ATOM 1147 CA ILE A 69 1.990 0.514 -10.358 1.00 0.00 C ATOM 1148 C ILE A 69 3.222 -0.386 -10.364 1.00 0.00 C ATOM 1149 O ILE A 69 3.115 -1.602 -10.528 1.00 0.00 O ATOM 1150 CB ILE A 69 1.365 0.513 -8.959 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.074 1.351 -8.963 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.359 1.097 -7.952 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.399 2.843 -8.820 1.00 0.00 C ATOM 0 H ILE A 69 0.078 -0.102 -10.971 1.00 0.00 H new ATOM 0 HA ILE A 69 2.290 1.528 -10.621 1.00 0.00 H new ATOM 0 HB ILE A 69 1.124 -0.511 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.474 1.180 -9.889 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.574 1.034 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.913 1.096 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.266 0.493 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.607 2.119 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.526 3.419 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.927 3.012 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.028 3.160 -9.652 1.00 0.00 H new ATOM 1165 N LYS A 70 4.392 0.219 -10.185 1.00 0.00 N ATOM 1166 CA LYS A 70 5.643 -0.533 -10.172 1.00 0.00 C ATOM 1167 C LYS A 70 5.935 -1.068 -8.774 1.00 0.00 C ATOM 1168 O LYS A 70 6.432 -2.184 -8.618 1.00 0.00 O ATOM 1169 CB LYS A 70 6.794 0.371 -10.619 1.00 0.00 C ATOM 1170 CG LYS A 70 8.045 -0.476 -10.899 1.00 0.00 C ATOM 1171 CD LYS A 70 8.012 -0.995 -12.340 1.00 0.00 C ATOM 1172 CE LYS A 70 9.334 -1.698 -12.658 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.798 -2.451 -11.458 1.00 0.00 N ATOM 0 H LYS A 70 4.501 1.224 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 70 5.547 -1.374 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.509 0.921 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.009 1.109 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.943 0.121 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.091 -1.313 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.179 -1.686 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.851 -0.169 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.203 -2.379 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.085 -0.966 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.480 -3.181 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.255 -1.796 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.983 -2.903 -10.995 1.00 0.00 H new ATOM 1187 N SER A 71 5.623 -0.266 -7.760 1.00 0.00 N ATOM 1188 CA SER A 71 5.856 -0.668 -6.376 1.00 0.00 C ATOM 1189 C SER A 71 5.333 0.393 -5.412 1.00 0.00 C ATOM 1190 O SER A 71 4.822 1.430 -5.832 1.00 0.00 O ATOM 1191 CB SER A 71 7.353 -0.878 -6.131 1.00 0.00 C ATOM 1192 OG SER A 71 7.939 0.353 -5.726 1.00 0.00 O ATOM 0 H SER A 71 5.211 0.661 -7.869 1.00 0.00 H new ATOM 0 HA SER A 71 5.323 -1.603 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.505 -1.637 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.834 -1.242 -7.039 1.00 0.00 H new ATOM 0 HG SER A 71 8.897 0.222 -5.567 1.00 0.00 H new ATOM 1198 N VAL A 72 5.476 0.123 -4.118 1.00 0.00 N ATOM 1199 CA VAL A 72 5.025 1.056 -3.087 1.00 0.00 C ATOM 1200 C VAL A 72 5.949 0.976 -1.876 1.00 0.00 C ATOM 1201 O VAL A 72 6.469 -0.091 -1.552 1.00 0.00 O ATOM 1202 CB VAL A 72 3.594 0.723 -2.667 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.058 1.821 -1.746 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.705 0.619 -3.909 1.00 0.00 C ATOM 0 H VAL A 72 5.900 -0.732 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 72 5.050 2.068 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 72 3.588 -0.229 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.037 1.580 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.688 1.891 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.067 2.775 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.685 0.381 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.714 1.569 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.083 -0.168 -4.562 1.00 0.00 H new ATOM 1214 N ASN A 73 6.164 2.113 -1.219 1.00 0.00 N ATOM 1215 CA ASN A 73 7.044 2.151 -0.058 1.00 0.00 C ATOM 1216 C ASN A 73 6.900 3.454 0.722 1.00 0.00 C ATOM 1217 O ASN A 73 6.408 4.463 0.212 1.00 0.00 O ATOM 1218 CB ASN A 73 8.495 1.989 -0.508 1.00 0.00 C ATOM 1219 CG ASN A 73 9.385 1.696 0.695 1.00 0.00 C ATOM 1220 OD1 ASN A 73 8.994 0.947 1.589 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.565 2.248 0.770 1.00 0.00 N ATOM 0 H ASN A 73 5.746 3.009 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 73 6.758 1.331 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.571 1.179 -1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.833 2.897 -1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.166 2.059 1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.886 2.869 0.027 1.00 0.00 H new ATOM 1228 N PHE A 74 7.342 3.404 1.975 1.00 0.00 N ATOM 1229 CA PHE A 74 7.286 4.553 2.873 1.00 0.00 C ATOM 1230 C PHE A 74 8.615 4.674 3.613 1.00 0.00 C ATOM 1231 O PHE A 74 9.249 3.666 3.925 1.00 0.00 O ATOM 1232 CB PHE A 74 6.133 4.380 3.881 1.00 0.00 C ATOM 1233 CG PHE A 74 5.312 3.161 3.519 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.916 1.898 3.483 1.00 0.00 C ATOM 1235 CD2 PHE A 74 3.950 3.291 3.217 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.164 0.769 3.143 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.197 2.160 2.878 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.804 0.900 2.840 1.00 0.00 C ATOM 0 H PHE A 74 7.748 2.568 2.396 1.00 0.00 H new ATOM 0 HA PHE A 74 7.108 5.459 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.533 4.274 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.501 5.268 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.965 1.796 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.481 4.263 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.633 -0.204 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.147 2.260 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.223 0.028 2.577 1.00 0.00 H new ATOM 1248 N VAL A 75 9.043 5.903 3.883 1.00 0.00 N ATOM 1249 CA VAL A 75 10.313 6.115 4.577 1.00 0.00 C ATOM 1250 C VAL A 75 10.265 7.373 5.436 1.00 0.00 C ATOM 1251 O VAL A 75 9.230 8.025 5.542 1.00 0.00 O ATOM 1252 CB VAL A 75 11.444 6.237 3.556 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.483 4.986 2.675 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.201 7.468 2.681 1.00 0.00 C ATOM 0 H VAL A 75 8.540 6.756 3.638 1.00 0.00 H new ATOM 0 HA VAL A 75 10.493 5.260 5.228 1.00 0.00 H new ATOM 0 HB VAL A 75 12.395 6.338 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.291 5.077 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.653 4.108 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.533 4.881 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.005 7.560 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.249 7.363 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.176 8.360 3.307 1.00 0.00 H new ATOM 1264 N ASN A 76 11.398 7.708 6.049 1.00 0.00 N ATOM 1265 CA ASN A 76 11.473 8.890 6.902 1.00 0.00 C ATOM 1266 C ASN A 76 11.584 10.164 6.067 1.00 0.00 C ATOM 1267 O ASN A 76 11.962 10.125 4.896 1.00 0.00 O ATOM 1268 CB ASN A 76 12.678 8.784 7.841 1.00 0.00 C ATOM 1269 CG ASN A 76 12.947 7.322 8.182 1.00 0.00 C ATOM 1270 OD1 ASN A 76 12.205 6.719 8.957 1.00 0.00 O ATOM 1271 ND2 ASN A 76 13.969 6.714 7.646 1.00 0.00 N ATOM 0 H ASN A 76 12.269 7.183 5.972 1.00 0.00 H new ATOM 0 HA ASN A 76 10.556 8.941 7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.557 9.223 7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.489 9.350 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.155 5.736 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.582 7.216 7.004 1.00 0.00 H new ATOM 1278 N GLU A 77 11.238 11.290 6.683 1.00 0.00 N ATOM 1279 CA GLU A 77 11.281 12.582 6.006 1.00 0.00 C ATOM 1280 C GLU A 77 12.485 12.687 5.073 1.00 0.00 C ATOM 1281 O GLU A 77 12.332 12.719 3.853 1.00 0.00 O ATOM 1282 CB GLU A 77 11.342 13.706 7.046 1.00 0.00 C ATOM 1283 CG GLU A 77 10.962 15.039 6.393 1.00 0.00 C ATOM 1284 CD GLU A 77 12.064 15.487 5.440 1.00 0.00 C ATOM 1285 OE1 GLU A 77 13.214 15.184 5.711 1.00 0.00 O ATOM 1286 OE2 GLU A 77 11.741 16.126 4.452 1.00 0.00 O ATOM 0 H GLU A 77 10.924 11.334 7.652 1.00 0.00 H new ATOM 0 HA GLU A 77 10.377 12.676 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.663 13.488 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.345 13.770 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.022 14.933 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.803 15.797 7.160 1.00 0.00 H new ATOM 1293 N GLN A 78 13.680 12.755 5.652 1.00 0.00 N ATOM 1294 CA GLN A 78 14.898 12.876 4.859 1.00 0.00 C ATOM 1295 C GLN A 78 14.909 11.861 3.725 1.00 0.00 C ATOM 1296 O GLN A 78 15.091 12.217 2.562 1.00 0.00 O ATOM 1297 CB GLN A 78 16.123 12.668 5.751 1.00 0.00 C ATOM 1298 CG GLN A 78 15.872 13.304 7.120 1.00 0.00 C ATOM 1299 CD GLN A 78 17.189 13.455 7.876 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.456 14.509 8.453 1.00 0.00 O ATOM 1301 NE2 GLN A 78 18.030 12.458 7.907 1.00 0.00 N ATOM 0 H GLN A 78 13.830 12.729 6.661 1.00 0.00 H new ATOM 0 HA GLN A 78 14.929 13.877 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.327 11.603 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.003 13.113 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.401 14.279 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.182 12.687 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.805 11.586 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.912 12.550 8.411 1.00 0.00 H new ATOM 1310 N ASP A 79 14.714 10.596 4.072 1.00 0.00 N ATOM 1311 CA ASP A 79 14.705 9.540 3.066 1.00 0.00 C ATOM 1312 C ASP A 79 13.748 9.902 1.934 1.00 0.00 C ATOM 1313 O ASP A 79 14.162 10.093 0.784 1.00 0.00 O ATOM 1314 CB ASP A 79 14.279 8.215 3.699 1.00 0.00 C ATOM 1315 CG ASP A 79 15.396 7.677 4.586 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.543 8.173 5.690 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.090 6.773 4.147 1.00 0.00 O ATOM 0 H ASP A 79 14.562 10.278 5.029 1.00 0.00 H new ATOM 0 HA ASP A 79 15.711 9.434 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.373 8.359 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.041 7.490 2.920 1.00 0.00 H new ATOM 1322 N PHE A 80 12.464 10.009 2.269 1.00 0.00 N ATOM 1323 CA PHE A 80 11.450 10.359 1.287 1.00 0.00 C ATOM 1324 C PHE A 80 11.954 11.477 0.387 1.00 0.00 C ATOM 1325 O PHE A 80 11.895 11.375 -0.837 1.00 0.00 O ATOM 1326 CB PHE A 80 10.175 10.802 2.018 1.00 0.00 C ATOM 1327 CG PHE A 80 9.351 11.719 1.142 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.311 11.196 0.366 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.624 13.093 1.112 1.00 0.00 C ATOM 1330 CE1 PHE A 80 7.546 12.045 -0.442 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.859 13.942 0.303 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.819 13.417 -0.474 1.00 0.00 C ATOM 0 H PHE A 80 12.105 9.858 3.212 1.00 0.00 H new ATOM 0 HA PHE A 80 11.230 9.491 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.586 9.928 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.439 11.314 2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.099 10.137 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.425 13.497 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.744 11.641 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.071 15.001 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.228 14.071 -1.098 1.00 0.00 H new ATOM 1342 N PHE A 81 12.452 12.544 1.001 1.00 0.00 N ATOM 1343 CA PHE A 81 12.962 13.671 0.238 1.00 0.00 C ATOM 1344 C PHE A 81 14.069 13.222 -0.704 1.00 0.00 C ATOM 1345 O PHE A 81 13.934 13.335 -1.917 1.00 0.00 O ATOM 1346 CB PHE A 81 13.482 14.766 1.177 1.00 0.00 C ATOM 1347 CG PHE A 81 12.964 16.093 0.675 1.00 0.00 C ATOM 1348 CD1 PHE A 81 13.573 16.709 -0.424 1.00 0.00 C ATOM 1349 CD2 PHE A 81 11.853 16.688 1.284 1.00 0.00 C ATOM 1350 CE1 PHE A 81 13.075 17.921 -0.912 1.00 0.00 C ATOM 1351 CE2 PHE A 81 11.356 17.902 0.798 1.00 0.00 C ATOM 1352 CZ PHE A 81 11.966 18.520 -0.301 1.00 0.00 C ATOM 0 H PHE A 81 12.512 12.650 2.014 1.00 0.00 H new ATOM 0 HA PHE A 81 12.143 14.079 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.144 14.586 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.572 14.765 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 81 14.428 16.248 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.380 16.210 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 81 13.546 18.395 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.501 18.363 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.582 19.457 -0.677 1.00 0.00 H new ATOM 1362 N PHE A 82 15.169 12.724 -0.137 1.00 0.00 N ATOM 1363 CA PHE A 82 16.299 12.264 -0.943 1.00 0.00 C ATOM 1364 C PHE A 82 15.826 11.792 -2.313 1.00 0.00 C ATOM 1365 O PHE A 82 16.464 12.065 -3.330 1.00 0.00 O ATOM 1366 CB PHE A 82 17.018 11.118 -0.224 1.00 0.00 C ATOM 1367 CG PHE A 82 18.401 10.941 -0.807 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.390 11.903 -0.565 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.695 9.817 -1.588 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.672 11.740 -1.104 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.977 9.654 -2.126 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.966 10.615 -1.884 1.00 0.00 C ATOM 0 H PHE A 82 15.301 12.630 0.870 1.00 0.00 H new ATOM 0 HA PHE A 82 16.988 13.098 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.087 11.331 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.448 10.195 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.164 12.770 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.933 9.075 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.434 12.482 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.203 8.786 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.955 10.489 -2.299 1.00 0.00 H new ATOM 1382 N ASN A 83 14.694 11.094 -2.334 1.00 0.00 N ATOM 1383 CA ASN A 83 14.139 10.605 -3.593 1.00 0.00 C ATOM 1384 C ASN A 83 13.753 11.780 -4.493 1.00 0.00 C ATOM 1385 O ASN A 83 13.991 11.757 -5.701 1.00 0.00 O ATOM 1386 CB ASN A 83 12.909 9.739 -3.319 1.00 0.00 C ATOM 1387 CG ASN A 83 12.576 8.902 -4.550 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.902 9.381 -5.463 1.00 0.00 O ATOM 1389 ND2 ASN A 83 13.010 7.674 -4.630 1.00 0.00 N ATOM 0 H ASN A 83 14.149 10.856 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 83 14.895 10.005 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.096 9.087 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.060 10.371 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.791 7.108 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.568 7.280 -3.873 1.00 0.00 H new ATOM 1396 N LEU A 84 13.160 12.804 -3.888 1.00 0.00 N ATOM 1397 CA LEU A 84 12.740 13.997 -4.619 1.00 0.00 C ATOM 1398 C LEU A 84 13.936 14.875 -4.967 1.00 0.00 C ATOM 1399 O LEU A 84 13.804 15.820 -5.744 1.00 0.00 O ATOM 1400 CB LEU A 84 11.770 14.825 -3.765 1.00 0.00 C ATOM 1401 CG LEU A 84 10.373 14.197 -3.757 1.00 0.00 C ATOM 1402 CD1 LEU A 84 9.680 14.431 -5.106 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.482 12.693 -3.492 1.00 0.00 C ATOM 0 H LEU A 84 12.958 12.832 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 84 12.253 13.666 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.147 14.895 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.714 15.841 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 84 9.783 14.663 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.688 13.980 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.589 15.502 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.271 13.977 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.486 12.251 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.081 12.228 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.957 12.527 -2.525 1.00 0.00 H new ATOM 1415 N ALA A 85 15.097 14.589 -4.387 1.00 0.00 N ATOM 1416 CA ALA A 85 16.270 15.410 -4.667 1.00 0.00 C ATOM 1417 C ALA A 85 16.896 15.021 -6.003 1.00 0.00 C ATOM 1418 O ALA A 85 17.494 15.853 -6.685 1.00 0.00 O ATOM 1419 CB ALA A 85 17.298 15.272 -3.544 1.00 0.00 C ATOM 0 H ALA A 85 15.250 13.817 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 85 15.951 16.451 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 85 18.167 15.891 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.854 15.597 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.607 14.230 -3.459 1.00 0.00 H new ATOM 1425 N LYS A 86 16.755 13.751 -6.368 1.00 0.00 N ATOM 1426 CA LYS A 86 17.309 13.258 -7.623 1.00 0.00 C ATOM 1427 C LYS A 86 16.730 14.026 -8.810 1.00 0.00 C ATOM 1428 O LYS A 86 17.328 14.062 -9.884 1.00 0.00 O ATOM 1429 CB LYS A 86 16.999 11.763 -7.772 1.00 0.00 C ATOM 1430 CG LYS A 86 17.184 11.338 -9.232 1.00 0.00 C ATOM 1431 CD LYS A 86 17.277 9.812 -9.320 1.00 0.00 C ATOM 1432 CE LYS A 86 17.679 9.407 -10.740 1.00 0.00 C ATOM 1433 NZ LYS A 86 17.388 7.960 -10.947 1.00 0.00 N ATOM 0 H LYS A 86 16.264 13.048 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 86 18.389 13.408 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.657 11.180 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.977 11.560 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.348 11.696 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.087 11.791 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.009 9.440 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.319 9.363 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.133 10.006 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.740 9.602 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.661 7.686 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.928 7.396 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.371 7.788 -10.813 1.00 0.00 H new