USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 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= 0.639 K(o=1.4,f=-0.7) USER MOD Set 1.2: A 66 TYR OH : rot 13:sc= 0.776 USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -0.0818 F(o=-6.5!,f=1) USER MOD Set 2.2: A 9 SER OG : rot 138:sc= 1.11! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0652) USER MOD Single : A 14 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-4.8) 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 175:sc= 0.105 USER MOD Single : A 22 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0773 (180deg=-0.611) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.812 K(o=-0.81,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -0.239 (180deg=-1.19!) USER MOD Single : A 36 ASN :FLIP amide:sc= -1.29 F(o=-7.4!,f=-1.3) USER MOD Single : A 37 ASN : amide:sc= -1.03 X(o=-1,f=-1.5) USER MOD Single : A 45 ASN :FLIP amide:sc= -8.08! C(o=-8.7!,f=-8.1!) USER MOD Single : A 50 ASN : amide:sc= -0.0313 K(o=-0.031,f=-2.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.94! X(o=-2.9!,f=-3) USER MOD Single : A 55 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 56 SER OG : rot 50:sc= -2.09 USER MOD Single : A 60 HIS : no HD1:sc= -4.01! C(o=-4!,f=-5.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc=-0.00381 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.369 F(o=-6.3!,f=-0.37) USER MOD Single : A 76 ASN : amide:sc= -1.07! C(o=-1.1!,f=-5.9!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 83 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4!) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0403) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -10.122 12.380 -7.655 1.00 0.00 N ATOM 19 CA GLU A 2 -10.719 11.169 -7.107 1.00 0.00 C ATOM 20 C GLU A 2 -9.668 10.073 -6.962 1.00 0.00 C ATOM 21 O GLU A 2 -9.860 9.110 -6.221 1.00 0.00 O ATOM 22 CB GLU A 2 -11.845 10.681 -8.021 1.00 0.00 C ATOM 23 CG GLU A 2 -12.794 11.841 -8.330 1.00 0.00 C ATOM 24 CD GLU A 2 -14.100 11.307 -8.909 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.059 10.741 -9.989 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.122 11.471 -8.263 1.00 0.00 O ATOM 0 HA GLU A 2 -11.126 11.400 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.429 10.282 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.391 9.869 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.995 12.409 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.326 12.526 -9.037 1.00 0.00 H new ATOM 33 N GLN A 3 -8.557 10.227 -7.678 1.00 0.00 N ATOM 34 CA GLN A 3 -7.481 9.242 -7.625 1.00 0.00 C ATOM 35 C GLN A 3 -7.207 8.823 -6.184 1.00 0.00 C ATOM 36 O GLN A 3 -7.554 7.716 -5.774 1.00 0.00 O ATOM 37 CB GLN A 3 -6.209 9.829 -8.245 1.00 0.00 C ATOM 38 CG GLN A 3 -5.236 8.701 -8.595 1.00 0.00 C ATOM 39 CD GLN A 3 -3.923 9.288 -9.103 1.00 0.00 C ATOM 40 OE1 GLN A 3 -2.848 8.796 -8.759 1.00 0.00 O ATOM 41 NE2 GLN A 3 -3.946 10.315 -9.906 1.00 0.00 N ATOM 0 H GLN A 3 -8.379 11.018 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.787 8.362 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.459 10.397 -9.141 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.740 10.523 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.052 8.082 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.674 8.054 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.838 10.721 -10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.072 10.713 -10.251 1.00 0.00 H new ATOM 50 N PHE A 4 -6.596 9.718 -5.416 1.00 0.00 N ATOM 51 CA PHE A 4 -6.296 9.431 -4.019 1.00 0.00 C ATOM 52 C PHE A 4 -7.491 8.751 -3.362 1.00 0.00 C ATOM 53 O PHE A 4 -7.349 7.725 -2.697 1.00 0.00 O ATOM 54 CB PHE A 4 -5.972 10.734 -3.272 1.00 0.00 C ATOM 55 CG PHE A 4 -5.484 11.775 -4.252 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.321 11.545 -4.998 1.00 0.00 C ATOM 57 CD2 PHE A 4 -6.195 12.971 -4.415 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.869 12.511 -5.905 1.00 0.00 C ATOM 59 CE2 PHE A 4 -5.742 13.937 -5.322 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.579 13.707 -6.067 1.00 0.00 C ATOM 0 H PHE A 4 -6.301 10.641 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.432 8.767 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.859 11.097 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.211 10.550 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.773 10.623 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.093 13.148 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.972 12.334 -6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.290 14.859 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.230 14.452 -6.767 1.00 0.00 H new ATOM 70 N ASN A 5 -8.666 9.331 -3.558 1.00 0.00 N ATOM 71 CA ASN A 5 -9.884 8.778 -2.983 1.00 0.00 C ATOM 72 C ASN A 5 -10.116 7.356 -3.484 1.00 0.00 C ATOM 73 O ASN A 5 -10.706 6.532 -2.789 1.00 0.00 O ATOM 74 CB ASN A 5 -11.082 9.655 -3.356 1.00 0.00 C ATOM 75 CG ASN A 5 -12.296 9.266 -2.517 1.00 0.00 C ATOM 76 OD1 ASN A 5 -12.193 8.302 -1.645 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 -13.366 9.858 -2.661 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.802 10.180 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.774 8.755 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.839 10.705 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.311 9.541 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.444 10.612 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.174 9.595 -2.097 1.00 0.00 H new ATOM 84 N ALA A 6 -9.656 7.078 -4.700 1.00 0.00 N ATOM 85 CA ALA A 6 -9.829 5.752 -5.286 1.00 0.00 C ATOM 86 C ALA A 6 -8.810 4.762 -4.725 1.00 0.00 C ATOM 87 O ALA A 6 -9.179 3.736 -4.155 1.00 0.00 O ATOM 88 CB ALA A 6 -9.684 5.832 -6.806 1.00 0.00 C ATOM 0 H ALA A 6 -9.165 7.746 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.828 5.398 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.814 4.839 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.441 6.504 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.693 6.209 -7.058 1.00 0.00 H new ATOM 94 N PHE A 7 -7.528 5.071 -4.895 1.00 0.00 N ATOM 95 CA PHE A 7 -6.470 4.192 -4.407 1.00 0.00 C ATOM 96 C PHE A 7 -6.520 4.080 -2.884 1.00 0.00 C ATOM 97 O PHE A 7 -6.442 2.984 -2.329 1.00 0.00 O ATOM 98 CB PHE A 7 -5.097 4.727 -4.860 1.00 0.00 C ATOM 99 CG PHE A 7 -4.140 4.778 -3.690 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.125 5.895 -2.846 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.269 3.707 -3.450 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.240 5.942 -1.762 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.384 3.755 -2.366 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.369 4.872 -1.523 1.00 0.00 C ATOM 0 H PHE A 7 -7.198 5.915 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.621 3.197 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.690 4.087 -5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.211 5.723 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.796 6.721 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.280 2.845 -4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.229 6.803 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.713 2.930 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.685 4.909 -0.688 1.00 0.00 H new ATOM 114 N LYS A 8 -6.638 5.221 -2.216 1.00 0.00 N ATOM 115 CA LYS A 8 -6.684 5.242 -0.759 1.00 0.00 C ATOM 116 C LYS A 8 -7.903 4.494 -0.226 1.00 0.00 C ATOM 117 O LYS A 8 -7.779 3.625 0.643 1.00 0.00 O ATOM 118 CB LYS A 8 -6.715 6.691 -0.263 1.00 0.00 C ATOM 119 CG LYS A 8 -6.307 6.743 1.216 1.00 0.00 C ATOM 120 CD LYS A 8 -5.833 8.155 1.569 1.00 0.00 C ATOM 121 CE LYS A 8 -6.914 9.171 1.188 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.570 10.500 1.765 1.00 0.00 N ATOM 0 H LYS A 8 -6.703 6.139 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.790 4.741 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.038 7.303 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.715 7.107 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.151 6.464 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.512 6.023 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.618 8.221 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.906 8.381 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.995 9.243 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.885 8.842 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.303 11.191 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.514 10.425 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.652 10.814 1.391 1.00 0.00 H new ATOM 136 N SER A 9 -9.089 4.829 -0.728 1.00 0.00 N ATOM 137 CA SER A 9 -10.288 4.159 -0.249 1.00 0.00 C ATOM 138 C SER A 9 -10.139 2.659 -0.449 1.00 0.00 C ATOM 139 O SER A 9 -10.713 1.861 0.290 1.00 0.00 O ATOM 140 CB SER A 9 -11.531 4.671 -0.975 1.00 0.00 C ATOM 141 OG SER A 9 -11.682 6.063 -0.726 1.00 0.00 O ATOM 0 H SER A 9 -9.242 5.539 -1.445 1.00 0.00 H new ATOM 0 HA SER A 9 -10.411 4.375 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.441 4.489 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.414 4.131 -0.633 1.00 0.00 H new ATOM 0 HG SER A 9 -11.932 6.519 -1.557 1.00 0.00 H new ATOM 147 N LEU A 10 -9.342 2.282 -1.446 1.00 0.00 N ATOM 148 CA LEU A 10 -9.104 0.874 -1.716 1.00 0.00 C ATOM 149 C LEU A 10 -8.479 0.232 -0.484 1.00 0.00 C ATOM 150 O LEU A 10 -8.873 -0.858 -0.070 1.00 0.00 O ATOM 151 CB LEU A 10 -8.170 0.711 -2.924 1.00 0.00 C ATOM 152 CG LEU A 10 -8.499 -0.587 -3.672 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.446 -0.836 -4.754 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.501 -1.766 -2.692 1.00 0.00 C ATOM 0 H LEU A 10 -8.857 2.926 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.051 0.385 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.277 1.564 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.132 0.696 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.483 -0.494 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.681 -1.759 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.443 -0.003 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.463 -0.924 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.735 -2.685 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.518 -1.856 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.251 -1.596 -1.920 1.00 0.00 H new ATOM 166 N LEU A 11 -7.511 0.929 0.112 1.00 0.00 N ATOM 167 CA LEU A 11 -6.858 0.419 1.309 1.00 0.00 C ATOM 168 C LEU A 11 -7.902 0.166 2.386 1.00 0.00 C ATOM 169 O LEU A 11 -7.914 -0.897 2.998 1.00 0.00 O ATOM 170 CB LEU A 11 -5.808 1.412 1.824 1.00 0.00 C ATOM 171 CG LEU A 11 -4.486 1.221 1.070 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.720 2.548 1.044 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.641 0.155 1.779 1.00 0.00 C ATOM 0 H LEU A 11 -7.169 1.834 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.352 -0.514 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.166 2.433 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.651 1.265 2.892 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.692 0.899 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.780 2.415 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.321 3.305 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.514 2.869 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.702 0.019 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.433 0.475 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.187 -0.788 1.799 1.00 0.00 H new ATOM 185 N LYS A 12 -8.790 1.134 2.602 1.00 0.00 N ATOM 186 CA LYS A 12 -9.842 0.965 3.606 1.00 0.00 C ATOM 187 C LYS A 12 -10.314 -0.490 3.625 1.00 0.00 C ATOM 188 O LYS A 12 -10.164 -1.186 4.627 1.00 0.00 O ATOM 189 CB LYS A 12 -11.025 1.883 3.290 1.00 0.00 C ATOM 190 CG LYS A 12 -11.966 1.938 4.496 1.00 0.00 C ATOM 191 CD LYS A 12 -13.206 2.768 4.146 1.00 0.00 C ATOM 192 CE LYS A 12 -14.153 1.949 3.262 1.00 0.00 C ATOM 193 NZ LYS A 12 -15.509 2.565 3.288 1.00 0.00 N ATOM 0 H LYS A 12 -8.805 2.026 2.108 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.439 1.227 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.668 2.884 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.560 1.516 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.261 0.929 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.452 2.377 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.719 3.073 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.909 3.680 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.776 1.915 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.202 0.920 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.154 2.011 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.867 2.575 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.455 3.540 2.929 1.00 0.00 H new ATOM 207 N LYS A 13 -10.861 -0.942 2.501 1.00 0.00 N ATOM 208 CA LYS A 13 -11.329 -2.321 2.380 1.00 0.00 C ATOM 209 C LYS A 13 -10.274 -3.284 2.923 1.00 0.00 C ATOM 210 O LYS A 13 -10.595 -4.262 3.596 1.00 0.00 O ATOM 211 CB LYS A 13 -11.599 -2.641 0.901 1.00 0.00 C ATOM 212 CG LYS A 13 -13.083 -2.427 0.580 1.00 0.00 C ATOM 213 CD LYS A 13 -13.442 -0.948 0.752 1.00 0.00 C ATOM 214 CE LYS A 13 -14.959 -0.778 0.664 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.409 -1.035 -0.734 1.00 0.00 N ATOM 0 H LYS A 13 -10.992 -0.376 1.662 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.247 -2.437 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.985 -2.003 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.317 -3.672 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.293 -2.746 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.699 -3.039 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.080 -0.584 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.953 -0.352 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.453 -1.467 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.241 0.230 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.415 -0.789 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.849 -0.455 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.277 -2.041 -0.962 1.00 0.00 H new ATOM 229 N HIS A 14 -9.017 -2.990 2.620 1.00 0.00 N ATOM 230 CA HIS A 14 -7.905 -3.819 3.071 1.00 0.00 C ATOM 231 C HIS A 14 -7.716 -3.711 4.582 1.00 0.00 C ATOM 232 O HIS A 14 -7.744 -4.713 5.296 1.00 0.00 O ATOM 233 CB HIS A 14 -6.619 -3.365 2.373 1.00 0.00 C ATOM 234 CG HIS A 14 -5.587 -4.457 2.453 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.275 -4.208 2.827 1.00 0.00 N ATOM 236 CD2 HIS A 14 -5.657 -5.807 2.210 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.616 -5.380 2.799 1.00 0.00 C ATOM 238 NE2 HIS A 14 -4.411 -6.388 2.429 1.00 0.00 N ATOM 0 H HIS A 14 -8.740 -2.182 2.062 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.128 -4.856 2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.826 -3.122 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.240 -2.457 2.843 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.881 -3.301 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.544 -6.337 1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.571 -5.493 3.046 1.00 0.00 H new ATOM 247 N TYR A 15 -7.504 -2.488 5.054 1.00 0.00 N ATOM 248 CA TYR A 15 -7.286 -2.240 6.473 1.00 0.00 C ATOM 249 C TYR A 15 -8.604 -1.910 7.172 1.00 0.00 C ATOM 250 O TYR A 15 -8.629 -1.142 8.133 1.00 0.00 O ATOM 251 CB TYR A 15 -6.311 -1.065 6.635 1.00 0.00 C ATOM 252 CG TYR A 15 -4.878 -1.547 6.514 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.533 -2.525 5.569 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.892 -1.011 7.352 1.00 0.00 C ATOM 255 CE1 TYR A 15 -3.206 -2.963 5.468 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.567 -1.451 7.248 1.00 0.00 C ATOM 257 CZ TYR A 15 -2.225 -2.426 6.307 1.00 0.00 C ATOM 258 OH TYR A 15 -0.919 -2.859 6.206 1.00 0.00 O ATOM 0 H TYR A 15 -7.479 -1.651 4.472 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.868 -3.138 6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.513 -0.309 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.461 -0.590 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.290 -2.940 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.154 -0.257 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.941 -3.716 4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.808 -1.037 7.896 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.365 -2.384 6.860 1.00 0.00 H new ATOM 268 N GLU A 16 -9.696 -2.493 6.689 1.00 0.00 N ATOM 269 CA GLU A 16 -11.004 -2.243 7.289 1.00 0.00 C ATOM 270 C GLU A 16 -11.119 -2.936 8.644 1.00 0.00 C ATOM 271 O GLU A 16 -12.222 -3.180 9.135 1.00 0.00 O ATOM 272 CB GLU A 16 -12.116 -2.744 6.363 1.00 0.00 C ATOM 273 CG GLU A 16 -11.943 -4.244 6.116 1.00 0.00 C ATOM 274 CD GLU A 16 -12.786 -4.678 4.921 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.775 -4.018 4.648 1.00 0.00 O ATOM 276 OE2 GLU A 16 -12.431 -5.664 4.297 1.00 0.00 O ATOM 0 H GLU A 16 -9.704 -3.133 5.895 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.110 -1.168 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.091 -2.549 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.086 -2.204 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.893 -4.472 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.240 -4.803 7.003 1.00 0.00 H new ATOM 283 N LYS A 17 -9.975 -3.249 9.244 1.00 0.00 N ATOM 284 CA LYS A 17 -9.959 -3.912 10.545 1.00 0.00 C ATOM 285 C LYS A 17 -8.708 -3.521 11.326 1.00 0.00 C ATOM 286 O LYS A 17 -8.695 -3.560 12.556 1.00 0.00 O ATOM 287 CB LYS A 17 -9.995 -5.434 10.361 1.00 0.00 C ATOM 288 CG LYS A 17 -11.431 -5.885 10.077 1.00 0.00 C ATOM 289 CD LYS A 17 -11.493 -7.415 10.045 1.00 0.00 C ATOM 290 CE LYS A 17 -10.669 -7.946 8.869 1.00 0.00 C ATOM 291 NZ LYS A 17 -11.135 -9.316 8.516 1.00 0.00 N ATOM 0 H LYS A 17 -9.052 -3.056 8.854 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.839 -3.596 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.342 -5.726 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.619 -5.927 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.102 -5.500 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.769 -5.477 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.111 -7.823 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.528 -7.744 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.771 -7.283 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.611 -7.966 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.576 -9.678 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.015 -9.945 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.139 -9.283 8.249 1.00 0.00 H new ATOM 305 N THR A 18 -7.659 -3.140 10.604 1.00 0.00 N ATOM 306 CA THR A 18 -6.410 -2.741 11.242 1.00 0.00 C ATOM 307 C THR A 18 -6.524 -1.319 11.788 1.00 0.00 C ATOM 308 O THR A 18 -5.560 -0.555 11.762 1.00 0.00 O ATOM 309 CB THR A 18 -5.256 -2.822 10.233 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.750 -2.542 8.930 1.00 0.00 O ATOM 311 CG2 THR A 18 -4.642 -4.222 10.256 1.00 0.00 C ATOM 0 H THR A 18 -7.648 -3.099 9.585 1.00 0.00 H new ATOM 0 HA THR A 18 -6.208 -3.420 12.070 1.00 0.00 H new ATOM 0 HB THR A 18 -4.492 -2.092 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.003 -2.516 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.824 -4.272 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.262 -4.436 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.402 -4.957 9.992 1.00 0.00 H new ATOM 319 N ILE A 19 -7.706 -0.968 12.284 1.00 0.00 N ATOM 320 CA ILE A 19 -7.917 0.368 12.831 1.00 0.00 C ATOM 321 C ILE A 19 -6.740 0.763 13.722 1.00 0.00 C ATOM 322 O ILE A 19 -5.914 1.587 13.333 1.00 0.00 O ATOM 323 CB ILE A 19 -9.232 0.419 13.622 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.355 1.781 14.315 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.271 -0.701 14.674 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.779 1.956 14.849 1.00 0.00 C ATOM 0 H ILE A 19 -8.522 -1.580 12.319 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.984 1.079 12.007 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.065 0.279 12.933 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.638 1.851 15.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.118 2.581 13.613 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.210 -0.650 15.225 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.194 -1.669 14.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.437 -0.580 15.366 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.866 2.924 15.342 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.487 1.905 14.022 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.999 1.164 15.564 1.00 0.00 H new ATOM 338 N GLY A 20 -6.674 0.179 14.918 1.00 0.00 N ATOM 339 CA GLY A 20 -5.596 0.479 15.861 1.00 0.00 C ATOM 340 C GLY A 20 -4.327 0.937 15.147 1.00 0.00 C ATOM 341 O GLY A 20 -3.749 1.964 15.498 1.00 0.00 O ATOM 0 H GLY A 20 -7.352 -0.503 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.924 1.255 16.552 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.378 -0.407 16.457 1.00 0.00 H new ATOM 345 N PHE A 21 -3.906 0.181 14.134 1.00 0.00 N ATOM 346 CA PHE A 21 -2.709 0.542 13.377 1.00 0.00 C ATOM 347 C PHE A 21 -2.842 1.974 12.873 1.00 0.00 C ATOM 348 O PHE A 21 -1.971 2.811 13.102 1.00 0.00 O ATOM 349 CB PHE A 21 -2.523 -0.412 12.192 1.00 0.00 C ATOM 350 CG PHE A 21 -1.165 -0.193 11.562 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.068 0.245 10.234 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.000 -0.435 12.303 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.191 0.441 9.650 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.257 -0.239 11.719 1.00 0.00 C ATOM 355 CZ PHE A 21 1.353 0.200 10.393 1.00 0.00 C ATOM 0 H PHE A 21 -4.368 -0.673 13.822 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.838 0.464 14.027 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.615 -1.445 12.528 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.307 -0.246 11.453 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.964 0.432 9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.072 -0.773 13.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.265 0.778 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.153 -0.427 12.292 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.323 0.353 9.943 1.00 0.00 H new ATOM 365 N HIS A 22 -3.955 2.245 12.203 1.00 0.00 N ATOM 366 CA HIS A 22 -4.225 3.578 11.684 1.00 0.00 C ATOM 367 C HIS A 22 -4.163 4.605 12.811 1.00 0.00 C ATOM 368 O HIS A 22 -3.368 5.543 12.756 1.00 0.00 O ATOM 369 CB HIS A 22 -5.608 3.605 11.029 1.00 0.00 C ATOM 370 CG HIS A 22 -5.801 4.904 10.297 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.391 6.007 10.895 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.501 5.288 9.014 1.00 0.00 C ATOM 373 CE1 HIS A 22 -6.428 6.992 9.980 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.898 6.607 8.816 1.00 0.00 N ATOM 0 H HIS A 22 -4.684 1.559 12.007 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.469 3.829 10.940 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.709 2.769 10.337 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.382 3.486 11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.029 4.662 8.271 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.837 7.975 10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.804 7.161 7.965 1.00 0.00 H new ATOM 383 N ASP A 23 -4.995 4.428 13.828 1.00 0.00 N ATOM 384 CA ASP A 23 -5.005 5.358 14.952 1.00 0.00 C ATOM 385 C ASP A 23 -3.611 5.469 15.571 1.00 0.00 C ATOM 386 O ASP A 23 -3.376 6.301 16.447 1.00 0.00 O ATOM 387 CB ASP A 23 -6.006 4.880 16.012 1.00 0.00 C ATOM 388 CG ASP A 23 -6.597 6.074 16.756 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.383 6.790 16.158 1.00 0.00 O ATOM 390 OD2 ASP A 23 -6.255 6.255 17.914 1.00 0.00 O ATOM 0 H ASP A 23 -5.663 3.661 13.900 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.303 6.341 14.587 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.803 4.307 15.538 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.510 4.213 16.717 1.00 0.00 H new ATOM 395 N LYS A 24 -2.694 4.615 15.119 1.00 0.00 N ATOM 396 CA LYS A 24 -1.332 4.614 15.646 1.00 0.00 C ATOM 397 C LYS A 24 -0.428 5.585 14.881 1.00 0.00 C ATOM 398 O LYS A 24 -0.114 6.667 15.378 1.00 0.00 O ATOM 399 CB LYS A 24 -0.749 3.195 15.578 1.00 0.00 C ATOM 400 CG LYS A 24 0.237 2.970 16.734 1.00 0.00 C ATOM 401 CD LYS A 24 0.264 1.486 17.094 1.00 0.00 C ATOM 402 CE LYS A 24 1.336 1.234 18.155 1.00 0.00 C ATOM 403 NZ LYS A 24 1.094 2.124 19.325 1.00 0.00 N ATOM 0 H LYS A 24 -2.868 3.919 14.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.375 4.946 16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.553 2.461 15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.242 3.048 14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.234 3.304 16.447 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.060 3.561 17.601 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.712 1.174 17.467 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.471 0.890 16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.315 0.190 18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.326 1.423 17.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.596 1.750 20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.443 3.080 19.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.074 2.164 19.526 1.00 0.00 H new ATOM 417 N TYR A 25 0.009 5.188 13.686 1.00 0.00 N ATOM 418 CA TYR A 25 0.900 6.037 12.891 1.00 0.00 C ATOM 419 C TYR A 25 0.210 6.571 11.639 1.00 0.00 C ATOM 420 O TYR A 25 -0.057 7.768 11.534 1.00 0.00 O ATOM 421 CB TYR A 25 2.139 5.242 12.475 1.00 0.00 C ATOM 422 CG TYR A 25 2.699 4.504 13.669 1.00 0.00 C ATOM 423 CD1 TYR A 25 2.577 3.111 13.752 1.00 0.00 C ATOM 424 CD2 TYR A 25 3.345 5.211 14.689 1.00 0.00 C ATOM 425 CE1 TYR A 25 3.101 2.427 14.854 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.869 4.527 15.791 1.00 0.00 C ATOM 427 CZ TYR A 25 3.748 3.135 15.874 1.00 0.00 C ATOM 428 OH TYR A 25 4.267 2.462 16.962 1.00 0.00 O ATOM 0 H TYR A 25 -0.234 4.298 13.251 1.00 0.00 H new ATOM 0 HA TYR A 25 1.184 6.886 13.514 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.881 4.534 11.687 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.893 5.914 12.065 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.078 2.565 12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.439 6.285 14.626 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.006 1.353 14.918 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.367 5.073 16.578 1.00 0.00 H new ATOM 0 HH TYR A 25 4.683 3.103 17.575 1.00 0.00 H new ATOM 438 N ILE A 26 -0.053 5.682 10.684 1.00 0.00 N ATOM 439 CA ILE A 26 -0.689 6.079 9.429 1.00 0.00 C ATOM 440 C ILE A 26 -1.728 7.172 9.663 1.00 0.00 C ATOM 441 O ILE A 26 -2.024 7.954 8.761 1.00 0.00 O ATOM 442 CB ILE A 26 -1.357 4.869 8.768 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.462 3.632 8.916 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.581 5.157 7.281 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.961 3.962 8.459 1.00 0.00 C ATOM 0 H ILE A 26 0.163 4.687 10.754 1.00 0.00 H new ATOM 0 HA ILE A 26 0.085 6.471 8.770 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.314 4.681 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.452 3.301 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.862 2.810 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.056 4.296 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.224 6.030 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.622 5.350 6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.592 3.079 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.945 4.271 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.361 4.771 9.071 1.00 0.00 H new ATOM 457 N LYS A 27 -2.273 7.212 10.880 1.00 0.00 N ATOM 458 CA LYS A 27 -3.285 8.209 11.250 1.00 0.00 C ATOM 459 C LYS A 27 -3.738 9.030 10.042 1.00 0.00 C ATOM 460 O LYS A 27 -4.526 8.560 9.223 1.00 0.00 O ATOM 461 CB LYS A 27 -2.728 9.141 12.332 1.00 0.00 C ATOM 462 CG LYS A 27 -3.852 10.040 12.865 1.00 0.00 C ATOM 463 CD LYS A 27 -3.272 11.093 13.821 1.00 0.00 C ATOM 464 CE LYS A 27 -3.184 10.516 15.236 1.00 0.00 C ATOM 465 NZ LYS A 27 -2.290 11.374 16.065 1.00 0.00 N ATOM 0 H LYS A 27 -2.031 6.564 11.630 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.153 7.675 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.300 8.555 13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.924 9.752 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.361 10.531 12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.597 9.436 13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.283 11.400 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.900 11.984 13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.177 10.467 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.799 9.497 15.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.229 10.984 17.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.341 11.399 15.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.676 12.339 16.107 1.00 0.00 H new ATOM 479 N ASP A 28 -3.237 10.258 9.936 1.00 0.00 N ATOM 480 CA ASP A 28 -3.604 11.130 8.823 1.00 0.00 C ATOM 481 C ASP A 28 -2.396 11.922 8.334 1.00 0.00 C ATOM 482 O ASP A 28 -2.221 13.087 8.690 1.00 0.00 O ATOM 483 CB ASP A 28 -4.705 12.097 9.261 1.00 0.00 C ATOM 484 CG ASP A 28 -4.208 12.966 10.412 1.00 0.00 C ATOM 485 OD1 ASP A 28 -4.802 14.006 10.641 1.00 0.00 O ATOM 486 OD2 ASP A 28 -3.241 12.578 11.047 1.00 0.00 O ATOM 0 H ASP A 28 -2.582 10.669 10.601 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.967 10.507 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.003 12.726 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.589 11.539 9.571 1.00 0.00 H new ATOM 491 N ILE A 29 -1.569 11.285 7.511 1.00 0.00 N ATOM 492 CA ILE A 29 -0.384 11.947 6.975 1.00 0.00 C ATOM 493 C ILE A 29 -0.786 12.907 5.857 1.00 0.00 C ATOM 494 O ILE A 29 -1.954 13.280 5.742 1.00 0.00 O ATOM 495 CB ILE A 29 0.609 10.904 6.442 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.387 9.571 7.169 1.00 0.00 C ATOM 497 CG2 ILE A 29 2.045 11.384 6.683 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.550 8.618 6.875 1.00 0.00 C ATOM 0 H ILE A 29 -1.695 10.321 7.203 1.00 0.00 H new ATOM 0 HA ILE A 29 0.097 12.513 7.773 1.00 0.00 H new ATOM 0 HB ILE A 29 0.450 10.769 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.307 9.741 8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.553 9.123 6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.746 10.641 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.204 12.330 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.208 11.523 7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.387 7.674 7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.610 8.437 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.483 9.065 7.220 1.00 0.00 H new ATOM 510 N ASN A 30 0.180 13.306 5.036 1.00 0.00 N ATOM 511 CA ASN A 30 -0.109 14.223 3.939 1.00 0.00 C ATOM 512 C ASN A 30 1.091 14.371 3.007 1.00 0.00 C ATOM 513 O ASN A 30 1.202 15.363 2.287 1.00 0.00 O ATOM 514 CB ASN A 30 -0.492 15.595 4.498 1.00 0.00 C ATOM 515 CG ASN A 30 -1.000 16.491 3.373 1.00 0.00 C ATOM 516 OD1 ASN A 30 -1.454 15.997 2.341 1.00 0.00 O ATOM 517 ND2 ASN A 30 -0.953 17.788 3.513 1.00 0.00 N ATOM 0 H ASN A 30 1.155 13.015 5.107 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.939 13.810 3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.262 15.484 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.371 16.055 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.293 18.394 2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.576 18.195 4.369 1.00 0.00 H new ATOM 524 N ARG A 31 1.985 13.383 3.014 1.00 0.00 N ATOM 525 CA ARG A 31 3.164 13.430 2.150 1.00 0.00 C ATOM 526 C ARG A 31 3.314 12.125 1.371 1.00 0.00 C ATOM 527 O ARG A 31 3.862 11.143 1.869 1.00 0.00 O ATOM 528 CB ARG A 31 4.429 13.685 2.979 1.00 0.00 C ATOM 529 CG ARG A 31 4.321 15.026 3.716 1.00 0.00 C ATOM 530 CD ARG A 31 4.763 16.168 2.797 1.00 0.00 C ATOM 531 NE ARG A 31 4.342 17.451 3.352 1.00 0.00 N ATOM 532 CZ ARG A 31 4.861 18.593 2.914 1.00 0.00 C ATOM 533 NH1 ARG A 31 5.762 18.581 1.970 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.468 19.728 3.428 1.00 0.00 N ATOM 0 H ARG A 31 1.918 12.551 3.600 1.00 0.00 H new ATOM 0 HA ARG A 31 3.031 14.249 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.570 12.878 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.304 13.689 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.294 15.189 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.942 15.009 4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.847 16.152 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.333 16.034 1.805 1.00 0.00 H new ATOM 0 HE ARG A 31 3.637 17.471 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.068 17.695 1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.160 19.458 1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.763 19.737 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.866 20.605 3.092 1.00 0.00 H new ATOM 548 N PHE A 32 2.824 12.145 0.137 1.00 0.00 N ATOM 549 CA PHE A 32 2.894 10.986 -0.748 1.00 0.00 C ATOM 550 C PHE A 32 2.836 11.465 -2.194 1.00 0.00 C ATOM 551 O PHE A 32 2.106 12.405 -2.505 1.00 0.00 O ATOM 552 CB PHE A 32 1.724 10.039 -0.472 1.00 0.00 C ATOM 553 CG PHE A 32 0.432 10.822 -0.465 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.140 11.218 0.751 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.195 11.151 -1.672 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.338 11.941 0.758 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.394 11.874 -1.665 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.965 12.270 -0.449 1.00 0.00 C ATOM 0 H PHE A 32 2.370 12.959 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 32 3.826 10.450 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.685 9.260 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.864 9.540 0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.344 10.965 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.246 10.847 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.779 12.245 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.878 12.126 -2.597 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.889 12.829 -0.443 1.00 0.00 H new ATOM 568 N VAL A 33 3.613 10.842 -3.078 1.00 0.00 N ATOM 569 CA VAL A 33 3.616 11.273 -4.474 1.00 0.00 C ATOM 570 C VAL A 33 3.872 10.120 -5.441 1.00 0.00 C ATOM 571 O VAL A 33 4.508 9.116 -5.096 1.00 0.00 O ATOM 572 CB VAL A 33 4.685 12.348 -4.681 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.355 13.568 -3.820 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.051 11.792 -4.273 1.00 0.00 C ATOM 0 H VAL A 33 4.231 10.060 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 33 2.625 11.672 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 33 4.709 12.640 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.116 14.334 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.381 13.964 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.332 13.277 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.814 12.557 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.026 11.501 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.287 10.922 -4.885 1.00 0.00 H new ATOM 584 N PHE A 34 3.364 10.297 -6.663 1.00 0.00 N ATOM 585 CA PHE A 34 3.513 9.308 -7.729 1.00 0.00 C ATOM 586 C PHE A 34 4.046 9.991 -8.988 1.00 0.00 C ATOM 587 O PHE A 34 3.522 11.024 -9.407 1.00 0.00 O ATOM 588 CB PHE A 34 2.151 8.668 -8.029 1.00 0.00 C ATOM 589 CG PHE A 34 2.199 7.913 -9.341 1.00 0.00 C ATOM 590 CD1 PHE A 34 1.098 7.956 -10.206 1.00 0.00 C ATOM 591 CD2 PHE A 34 3.335 7.173 -9.696 1.00 0.00 C ATOM 592 CE1 PHE A 34 1.131 7.262 -11.421 1.00 0.00 C ATOM 593 CE2 PHE A 34 3.367 6.479 -10.911 1.00 0.00 C ATOM 594 CZ PHE A 34 2.266 6.523 -11.774 1.00 0.00 C ATOM 0 H PHE A 34 2.840 11.127 -6.939 1.00 0.00 H new ATOM 0 HA PHE A 34 4.214 8.536 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.875 7.989 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.382 9.439 -8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.222 8.526 -9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.186 7.138 -9.032 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.281 7.297 -12.086 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.243 5.909 -11.183 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.292 5.987 -12.711 1.00 0.00 H new ATOM 604 N LYS A 35 5.080 9.414 -9.595 1.00 0.00 N ATOM 605 CA LYS A 35 5.659 9.991 -10.810 1.00 0.00 C ATOM 606 C LYS A 35 6.925 9.238 -11.222 1.00 0.00 C ATOM 607 O LYS A 35 7.941 9.847 -11.560 1.00 0.00 O ATOM 608 CB LYS A 35 5.980 11.482 -10.589 1.00 0.00 C ATOM 609 CG LYS A 35 5.184 12.337 -11.584 1.00 0.00 C ATOM 610 CD LYS A 35 5.547 13.818 -11.407 1.00 0.00 C ATOM 611 CE LYS A 35 6.781 14.154 -12.250 1.00 0.00 C ATOM 612 NZ LYS A 35 6.476 13.931 -13.692 1.00 0.00 N ATOM 0 H LYS A 35 5.531 8.558 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 35 4.928 9.898 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.731 11.770 -9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.048 11.657 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.401 12.020 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.115 12.194 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.708 14.446 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.744 14.031 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.075 15.191 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.623 13.532 -11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.014 14.608 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.743 12.961 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.458 14.067 -13.857 1.00 0.00 H new ATOM 626 N ASN A 36 6.857 7.914 -11.198 1.00 0.00 N ATOM 627 CA ASN A 36 8.002 7.094 -11.576 1.00 0.00 C ATOM 628 C ASN A 36 7.661 5.616 -11.438 1.00 0.00 C ATOM 629 O ASN A 36 8.473 4.824 -10.960 1.00 0.00 O ATOM 630 CB ASN A 36 9.202 7.431 -10.686 1.00 0.00 C ATOM 631 CG ASN A 36 8.752 7.575 -9.238 1.00 0.00 C ATOM 632 OD1 ASN A 36 7.642 7.008 -8.850 1.00 0.00 O flip ATOM 633 ND2 ASN A 36 9.427 8.222 -8.438 1.00 0.00 N flip ATOM 0 H ASN A 36 6.028 7.387 -10.923 1.00 0.00 H new ATOM 0 HA ASN A 36 8.254 7.304 -12.616 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.955 6.647 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.668 8.356 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.294 8.664 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.119 8.316 -7.470 1.00 0.00 H new ATOM 640 N ASN A 37 6.452 5.254 -11.852 1.00 0.00 N ATOM 641 CA ASN A 37 6.003 3.868 -11.765 1.00 0.00 C ATOM 642 C ASN A 37 6.049 3.385 -10.318 1.00 0.00 C ATOM 643 O ASN A 37 5.589 2.288 -10.004 1.00 0.00 O ATOM 644 CB ASN A 37 6.884 2.974 -12.646 1.00 0.00 C ATOM 645 CG ASN A 37 6.375 2.994 -14.083 1.00 0.00 C ATOM 646 OD1 ASN A 37 5.175 2.860 -14.320 1.00 0.00 O ATOM 647 ND2 ASN A 37 7.222 3.153 -15.063 1.00 0.00 N ATOM 0 H ASN A 37 5.767 5.897 -12.250 1.00 0.00 H new ATOM 0 HA ASN A 37 4.974 3.811 -12.119 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.917 3.321 -12.612 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.878 1.953 -12.264 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.890 3.166 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.216 3.264 -14.865 1.00 0.00 H new ATOM 654 N VAL A 38 6.604 4.218 -9.442 1.00 0.00 N ATOM 655 CA VAL A 38 6.707 3.880 -8.026 1.00 0.00 C ATOM 656 C VAL A 38 5.953 4.901 -7.183 1.00 0.00 C ATOM 657 O VAL A 38 5.672 6.009 -7.640 1.00 0.00 O ATOM 658 CB VAL A 38 8.177 3.848 -7.602 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.270 3.557 -6.103 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.906 2.750 -8.380 1.00 0.00 C ATOM 0 H VAL A 38 6.989 5.130 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 38 6.265 2.896 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 38 8.638 4.813 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.317 3.534 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.749 4.337 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.810 2.592 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.953 2.725 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.445 1.786 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.840 2.956 -9.448 1.00 0.00 H new ATOM 670 N LEU A 39 5.632 4.523 -5.951 1.00 0.00 N ATOM 671 CA LEU A 39 4.909 5.413 -5.045 1.00 0.00 C ATOM 672 C LEU A 39 5.617 5.481 -3.698 1.00 0.00 C ATOM 673 O LEU A 39 5.976 4.448 -3.128 1.00 0.00 O ATOM 674 CB LEU A 39 3.475 4.900 -4.840 1.00 0.00 C ATOM 675 CG LEU A 39 2.562 5.416 -5.960 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.833 4.659 -7.269 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.100 5.221 -5.552 1.00 0.00 C ATOM 0 H LEU A 39 5.859 3.610 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 39 4.880 6.409 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.469 3.810 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.098 5.230 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 39 2.766 6.475 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.176 5.039 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.872 4.804 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.643 3.596 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.449 5.587 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.907 4.161 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.901 5.776 -4.635 1.00 0.00 H new ATOM 689 N LEU A 40 5.818 6.697 -3.185 1.00 0.00 N ATOM 690 CA LEU A 40 6.489 6.861 -1.894 1.00 0.00 C ATOM 691 C LEU A 40 5.548 7.541 -0.903 1.00 0.00 C ATOM 692 O LEU A 40 4.760 8.414 -1.274 1.00 0.00 O ATOM 693 CB LEU A 40 7.778 7.683 -2.072 1.00 0.00 C ATOM 694 CG LEU A 40 8.930 7.084 -1.247 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.267 7.523 -1.851 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.845 7.570 0.209 1.00 0.00 C ATOM 0 H LEU A 40 5.532 7.567 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 40 6.757 5.881 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.055 7.708 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.602 8.714 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 40 8.854 5.997 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.086 7.100 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.334 7.171 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.334 8.611 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.665 7.140 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.915 8.657 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.895 7.257 0.642 1.00 0.00 H new ATOM 708 N ILE A 41 5.624 7.113 0.359 1.00 0.00 N ATOM 709 CA ILE A 41 4.759 7.666 1.401 1.00 0.00 C ATOM 710 C ILE A 41 5.512 7.838 2.721 1.00 0.00 C ATOM 711 O ILE A 41 6.308 6.986 3.119 1.00 0.00 O ATOM 712 CB ILE A 41 3.559 6.737 1.617 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.697 6.694 0.342 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.718 7.254 2.787 1.00 0.00 C ATOM 715 CD1 ILE A 41 3.128 5.521 -0.543 1.00 0.00 C ATOM 0 H ILE A 41 6.270 6.392 0.681 1.00 0.00 H new ATOM 0 HA ILE A 41 4.420 8.648 1.072 1.00 0.00 H new ATOM 0 HB ILE A 41 3.917 5.732 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.645 6.592 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.798 7.630 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.864 6.594 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.327 7.277 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.363 8.260 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.513 5.499 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.175 5.641 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.004 4.587 0.005 1.00 0.00 H new ATOM 727 N LEU A 42 5.257 8.962 3.379 1.00 0.00 N ATOM 728 CA LEU A 42 5.907 9.282 4.647 1.00 0.00 C ATOM 729 C LEU A 42 5.672 8.199 5.703 1.00 0.00 C ATOM 730 O LEU A 42 4.555 7.717 5.884 1.00 0.00 O ATOM 731 CB LEU A 42 5.356 10.616 5.174 1.00 0.00 C ATOM 732 CG LEU A 42 6.443 11.700 5.144 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.598 11.309 6.079 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.965 11.875 3.709 1.00 0.00 C ATOM 0 H LEU A 42 4.601 9.672 3.054 1.00 0.00 H new ATOM 0 HA LEU A 42 6.979 9.347 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.506 10.929 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.991 10.488 6.193 1.00 0.00 H new ATOM 0 HG LEU A 42 6.016 12.643 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.365 12.083 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.223 11.205 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.026 10.362 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.736 12.645 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.386 10.933 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.144 12.171 3.057 1.00 0.00 H new ATOM 746 N LEU A 43 6.739 7.859 6.419 1.00 0.00 N ATOM 747 CA LEU A 43 6.667 6.869 7.492 1.00 0.00 C ATOM 748 C LEU A 43 7.998 6.804 8.237 1.00 0.00 C ATOM 749 O LEU A 43 8.914 6.090 7.829 1.00 0.00 O ATOM 750 CB LEU A 43 6.323 5.483 6.942 1.00 0.00 C ATOM 751 CG LEU A 43 5.906 4.567 8.105 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.424 4.778 8.432 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.127 3.102 7.724 1.00 0.00 C ATOM 0 H LEU A 43 7.668 8.255 6.276 1.00 0.00 H new ATOM 0 HA LEU A 43 5.878 7.176 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.515 5.558 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.183 5.061 6.421 1.00 0.00 H new ATOM 0 HG LEU A 43 6.513 4.814 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.137 4.126 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.259 5.817 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.821 4.542 7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.829 2.461 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.529 2.860 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.181 2.939 7.501 1.00 0.00 H new ATOM 765 N GLU A 44 8.097 7.557 9.328 1.00 0.00 N ATOM 766 CA GLU A 44 9.323 7.586 10.120 1.00 0.00 C ATOM 767 C GLU A 44 9.365 6.420 11.105 1.00 0.00 C ATOM 768 O GLU A 44 10.415 5.812 11.313 1.00 0.00 O ATOM 769 CB GLU A 44 9.414 8.910 10.884 1.00 0.00 C ATOM 770 CG GLU A 44 8.032 9.288 11.421 1.00 0.00 C ATOM 771 CD GLU A 44 8.164 10.363 12.494 1.00 0.00 C ATOM 772 OE1 GLU A 44 8.455 11.493 12.141 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.972 10.040 13.655 1.00 0.00 O ATOM 0 H GLU A 44 7.348 8.152 9.683 1.00 0.00 H new ATOM 0 HA GLU A 44 10.172 7.495 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.123 8.819 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.788 9.696 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.404 9.650 10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.541 8.408 11.835 1.00 0.00 H new ATOM 780 N ASN A 45 8.223 6.120 11.716 1.00 0.00 N ATOM 781 CA ASN A 45 8.150 5.029 12.684 1.00 0.00 C ATOM 782 C ASN A 45 8.958 3.826 12.205 1.00 0.00 C ATOM 783 O ASN A 45 8.653 3.229 11.173 1.00 0.00 O ATOM 784 CB ASN A 45 6.693 4.622 12.902 1.00 0.00 C ATOM 785 CG ASN A 45 5.970 5.696 13.708 1.00 0.00 C ATOM 786 OD1 ASN A 45 6.123 5.740 15.003 1.00 0.00 O flip ATOM 787 ND2 ASN A 45 5.249 6.517 13.141 1.00 0.00 N flip ATOM 0 H ASN A 45 7.343 6.611 11.561 1.00 0.00 H new ATOM 0 HA ASN A 45 8.573 5.376 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.198 4.481 11.941 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.647 3.668 13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.132 6.479 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.769 7.235 13.684 1.00 0.00 H new ATOM 794 N GLU A 46 9.993 3.483 12.965 1.00 0.00 N ATOM 795 CA GLU A 46 10.852 2.357 12.617 1.00 0.00 C ATOM 796 C GLU A 46 10.058 1.055 12.574 1.00 0.00 C ATOM 797 O GLU A 46 10.168 0.284 11.620 1.00 0.00 O ATOM 798 CB GLU A 46 11.979 2.228 13.647 1.00 0.00 C ATOM 799 CG GLU A 46 12.834 0.994 13.336 1.00 0.00 C ATOM 800 CD GLU A 46 13.675 1.244 12.089 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.327 2.274 12.035 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.654 0.403 11.206 1.00 0.00 O ATOM 0 H GLU A 46 10.257 3.967 13.823 1.00 0.00 H new ATOM 0 HA GLU A 46 11.271 2.542 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.600 3.124 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.559 2.147 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.482 0.768 14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.193 0.126 13.184 1.00 0.00 H new ATOM 809 N PHE A 47 9.272 0.807 13.614 1.00 0.00 N ATOM 810 CA PHE A 47 8.487 -0.414 13.679 1.00 0.00 C ATOM 811 C PHE A 47 7.484 -0.465 12.535 1.00 0.00 C ATOM 812 O PHE A 47 7.594 -1.301 11.638 1.00 0.00 O ATOM 813 CB PHE A 47 7.749 -0.493 15.017 1.00 0.00 C ATOM 814 CG PHE A 47 8.719 -0.216 16.141 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.719 1.032 16.776 1.00 0.00 C ATOM 816 CD2 PHE A 47 9.621 -1.206 16.547 1.00 0.00 C ATOM 817 CE1 PHE A 47 9.619 1.289 17.817 1.00 0.00 C ATOM 818 CE2 PHE A 47 10.522 -0.950 17.588 1.00 0.00 C ATOM 819 CZ PHE A 47 10.521 0.299 18.222 1.00 0.00 C ATOM 0 H PHE A 47 9.163 1.429 14.415 1.00 0.00 H new ATOM 0 HA PHE A 47 9.164 -1.264 13.591 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.934 0.230 15.039 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.303 -1.480 15.141 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.024 1.797 16.462 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.622 -2.168 16.057 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.617 2.251 18.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.217 -1.715 17.902 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.217 0.498 19.024 1.00 0.00 H new ATOM 829 N ALA A 48 6.503 0.430 12.576 1.00 0.00 N ATOM 830 CA ALA A 48 5.477 0.478 11.536 1.00 0.00 C ATOM 831 C ALA A 48 6.082 0.189 10.167 1.00 0.00 C ATOM 832 O ALA A 48 5.481 -0.492 9.339 1.00 0.00 O ATOM 833 CB ALA A 48 4.822 1.862 11.507 1.00 0.00 C ATOM 0 H ALA A 48 6.395 1.128 13.312 1.00 0.00 H new ATOM 0 HA ALA A 48 4.729 -0.281 11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.059 1.887 10.729 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.361 2.067 12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.579 2.618 11.298 1.00 0.00 H new ATOM 839 N ARG A 49 7.278 0.717 9.943 1.00 0.00 N ATOM 840 CA ARG A 49 7.964 0.523 8.676 1.00 0.00 C ATOM 841 C ARG A 49 8.550 -0.881 8.586 1.00 0.00 C ATOM 842 O ARG A 49 8.594 -1.479 7.511 1.00 0.00 O ATOM 843 CB ARG A 49 9.080 1.563 8.536 1.00 0.00 C ATOM 844 CG ARG A 49 9.501 1.694 7.063 1.00 0.00 C ATOM 845 CD ARG A 49 10.074 3.094 6.805 1.00 0.00 C ATOM 846 NE ARG A 49 11.209 3.012 5.890 1.00 0.00 N ATOM 847 CZ ARG A 49 12.455 2.886 6.341 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.685 2.829 7.625 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.449 2.820 5.498 1.00 0.00 N ATOM 0 H ARG A 49 7.791 1.281 10.621 1.00 0.00 H new ATOM 0 HA ARG A 49 7.244 0.645 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.738 2.527 8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.937 1.271 9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.246 0.936 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.643 1.517 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.303 3.739 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.388 3.546 7.746 1.00 0.00 H new ATOM 0 HE ARG A 49 11.044 3.052 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.909 2.881 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.641 2.732 7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.271 2.865 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.404 2.723 5.842 1.00 0.00 H new ATOM 863 N ASN A 50 9.006 -1.402 9.720 1.00 0.00 N ATOM 864 CA ASN A 50 9.594 -2.734 9.749 1.00 0.00 C ATOM 865 C ASN A 50 8.605 -3.757 9.199 1.00 0.00 C ATOM 866 O ASN A 50 8.844 -4.405 8.180 1.00 0.00 O ATOM 867 CB ASN A 50 9.956 -3.107 11.187 1.00 0.00 C ATOM 868 CG ASN A 50 10.839 -4.350 11.197 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.330 -4.772 10.150 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.070 -4.965 12.324 1.00 0.00 N ATOM 0 H ASN A 50 8.980 -0.927 10.622 1.00 0.00 H new ATOM 0 HA ASN A 50 10.492 -2.734 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.476 -2.278 11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.049 -3.291 11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.659 -5.798 12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.662 -4.613 13.190 1.00 0.00 H new ATOM 877 N SER A 51 7.485 -3.880 9.909 1.00 0.00 N ATOM 878 CA SER A 51 6.415 -4.806 9.546 1.00 0.00 C ATOM 879 C SER A 51 5.885 -4.538 8.140 1.00 0.00 C ATOM 880 O SER A 51 5.761 -5.456 7.328 1.00 0.00 O ATOM 881 CB SER A 51 5.266 -4.659 10.548 1.00 0.00 C ATOM 882 OG SER A 51 4.747 -5.946 10.857 1.00 0.00 O ATOM 0 H SER A 51 7.294 -3.340 10.753 1.00 0.00 H new ATOM 0 HA SER A 51 6.822 -5.817 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.619 -4.169 11.455 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.482 -4.028 10.130 1.00 0.00 H new ATOM 0 HG SER A 51 4.012 -5.857 11.499 1.00 0.00 H new ATOM 888 N LEU A 52 5.556 -3.282 7.867 1.00 0.00 N ATOM 889 CA LEU A 52 5.018 -2.909 6.564 1.00 0.00 C ATOM 890 C LEU A 52 5.893 -3.446 5.434 1.00 0.00 C ATOM 891 O LEU A 52 5.398 -4.075 4.500 1.00 0.00 O ATOM 892 CB LEU A 52 4.914 -1.382 6.456 1.00 0.00 C ATOM 893 CG LEU A 52 3.651 -0.887 7.181 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.664 0.643 7.239 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.390 -1.355 6.434 1.00 0.00 C ATOM 0 H LEU A 52 5.651 -2.508 8.525 1.00 0.00 H new ATOM 0 HA LEU A 52 4.025 -3.349 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.799 -0.918 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.881 -1.085 5.408 1.00 0.00 H new ATOM 0 HG LEU A 52 3.640 -1.297 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.769 0.995 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.549 0.979 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.683 1.045 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.503 -0.998 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.398 -0.955 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.374 -2.444 6.394 1.00 0.00 H new ATOM 907 N ASN A 53 7.193 -3.179 5.512 1.00 0.00 N ATOM 908 CA ASN A 53 8.114 -3.630 4.471 1.00 0.00 C ATOM 909 C ASN A 53 8.435 -5.119 4.607 1.00 0.00 C ATOM 910 O ASN A 53 8.949 -5.731 3.671 1.00 0.00 O ATOM 911 CB ASN A 53 9.406 -2.807 4.521 1.00 0.00 C ATOM 912 CG ASN A 53 10.377 -3.400 5.540 1.00 0.00 C ATOM 913 OD1 ASN A 53 11.178 -4.270 5.201 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.353 -2.978 6.775 1.00 0.00 N ATOM 0 H ASN A 53 7.629 -2.660 6.274 1.00 0.00 H new ATOM 0 HA ASN A 53 7.626 -3.482 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.871 -2.788 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.177 -1.775 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.999 -3.370 7.460 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.688 -2.257 7.055 1.00 0.00 H new ATOM 921 N ASP A 54 8.132 -5.701 5.763 1.00 0.00 N ATOM 922 CA ASP A 54 8.404 -7.120 5.971 1.00 0.00 C ATOM 923 C ASP A 54 7.400 -7.969 5.199 1.00 0.00 C ATOM 924 O ASP A 54 7.682 -9.111 4.836 1.00 0.00 O ATOM 925 CB ASP A 54 8.319 -7.463 7.458 1.00 0.00 C ATOM 926 CG ASP A 54 9.535 -6.909 8.192 1.00 0.00 C ATOM 927 OD1 ASP A 54 10.370 -6.302 7.542 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.615 -7.102 9.395 1.00 0.00 O ATOM 0 H ASP A 54 7.706 -5.223 6.557 1.00 0.00 H new ATOM 0 HA ASP A 54 9.410 -7.333 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.406 -7.047 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.267 -8.544 7.588 1.00 0.00 H new ATOM 933 N ASN A 55 6.226 -7.394 4.955 1.00 0.00 N ATOM 934 CA ASN A 55 5.171 -8.091 4.226 1.00 0.00 C ATOM 935 C ASN A 55 3.932 -7.209 4.113 1.00 0.00 C ATOM 936 O ASN A 55 3.075 -7.212 4.997 1.00 0.00 O ATOM 937 CB ASN A 55 4.807 -9.392 4.945 1.00 0.00 C ATOM 938 CG ASN A 55 4.647 -9.135 6.440 1.00 0.00 C ATOM 939 OD1 ASN A 55 5.637 -9.049 7.166 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.450 -9.004 6.945 1.00 0.00 N ATOM 0 H ASN A 55 5.981 -6.449 5.251 1.00 0.00 H new ATOM 0 HA ASN A 55 5.537 -8.321 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.881 -9.796 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.583 -10.139 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.334 -8.830 7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.631 -9.076 6.341 1.00 0.00 H new ATOM 947 N SER A 56 3.844 -6.452 3.022 1.00 0.00 N ATOM 948 CA SER A 56 2.704 -5.564 2.802 1.00 0.00 C ATOM 949 C SER A 56 2.119 -5.780 1.410 1.00 0.00 C ATOM 950 O SER A 56 1.029 -6.333 1.267 1.00 0.00 O ATOM 951 CB SER A 56 3.145 -4.108 2.956 1.00 0.00 C ATOM 952 OG SER A 56 2.218 -3.267 2.287 1.00 0.00 O ATOM 0 H SER A 56 4.544 -6.435 2.280 1.00 0.00 H new ATOM 0 HA SER A 56 1.937 -5.791 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.200 -3.842 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.143 -3.972 2.541 1.00 0.00 H new ATOM 0 HG SER A 56 1.307 -3.498 2.565 1.00 0.00 H new ATOM 958 N GLU A 57 2.853 -5.341 0.390 1.00 0.00 N ATOM 959 CA GLU A 57 2.409 -5.493 -0.996 1.00 0.00 C ATOM 960 C GLU A 57 1.257 -4.544 -1.311 1.00 0.00 C ATOM 961 O GLU A 57 0.232 -4.960 -1.848 1.00 0.00 O ATOM 962 CB GLU A 57 1.967 -6.938 -1.262 1.00 0.00 C ATOM 963 CG GLU A 57 3.014 -7.924 -0.711 1.00 0.00 C ATOM 964 CD GLU A 57 2.323 -9.130 -0.080 1.00 0.00 C ATOM 965 OE1 GLU A 57 1.350 -9.596 -0.649 1.00 0.00 O ATOM 966 OE2 GLU A 57 2.778 -9.569 0.964 1.00 0.00 O ATOM 0 H GLU A 57 3.756 -4.878 0.495 1.00 0.00 H new ATOM 0 HA GLU A 57 3.252 -5.247 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.001 -7.123 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.837 -7.095 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.673 -8.253 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.639 -7.425 0.030 1.00 0.00 H new ATOM 973 N ILE A 58 1.429 -3.265 -0.981 1.00 0.00 N ATOM 974 CA ILE A 58 0.387 -2.275 -1.245 1.00 0.00 C ATOM 975 C ILE A 58 0.044 -2.245 -2.733 1.00 0.00 C ATOM 976 O ILE A 58 -0.821 -1.485 -3.166 1.00 0.00 O ATOM 977 CB ILE A 58 0.852 -0.888 -0.790 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.299 -0.944 0.675 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.290 0.122 -0.939 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.182 -1.523 1.549 1.00 0.00 C ATOM 0 H ILE A 58 2.268 -2.894 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.506 -2.554 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 58 1.691 -0.575 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.196 -1.557 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.560 0.056 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.049 1.105 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.598 0.172 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.135 -0.192 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.513 -1.557 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.704 -0.893 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.058 -2.531 1.212 1.00 0.00 H new ATOM 992 N ILE A 59 0.715 -3.091 -3.509 1.00 0.00 N ATOM 993 CA ILE A 59 0.457 -3.170 -4.945 1.00 0.00 C ATOM 994 C ILE A 59 -0.695 -4.143 -5.190 1.00 0.00 C ATOM 995 O ILE A 59 -1.448 -4.012 -6.154 1.00 0.00 O ATOM 996 CB ILE A 59 1.720 -3.639 -5.673 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.365 -4.093 -7.091 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.348 -4.805 -4.907 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.638 -4.182 -7.933 1.00 0.00 C ATOM 0 H ILE A 59 1.437 -3.728 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 59 0.184 -2.187 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 59 2.429 -2.813 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.869 -5.063 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.665 -3.391 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.247 -5.139 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.609 -4.480 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.636 -5.628 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.385 -4.505 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.116 -3.203 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.322 -4.901 -7.483 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.823 -5.101 -4.281 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.884 -6.102 -4.342 1.00 0.00 C ATOM 1013 C HIS A 60 -3.258 -5.453 -4.502 1.00 0.00 C ATOM 1014 O HIS A 60 -4.216 -6.123 -4.888 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.860 -6.937 -3.057 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.812 -8.010 -3.174 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.101 -8.040 -4.218 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.522 -9.099 -2.390 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.889 -9.115 -4.035 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.554 -9.795 -2.935 1.00 0.00 N ATOM 0 H HIS A 60 -0.197 -5.207 -3.483 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.708 -6.736 -5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.647 -6.298 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.838 -7.386 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.048 -9.374 -1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.695 -9.394 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.992 -10.642 -2.572 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.363 -4.159 -4.211 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.646 -3.462 -4.340 1.00 0.00 C ATOM 1031 C LEU A 61 -4.502 -2.243 -5.245 1.00 0.00 C ATOM 1032 O LEU A 61 -5.362 -1.974 -6.084 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.155 -3.026 -2.956 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.345 -3.724 -1.859 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -2.943 -3.106 -1.773 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.065 -3.559 -0.517 1.00 0.00 C ATOM 0 H LEU A 61 -2.590 -3.577 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.367 -4.148 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.069 -1.944 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.212 -3.273 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.252 -4.784 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.372 -3.607 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.433 -3.227 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.027 -2.045 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.492 -4.054 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.159 -2.499 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.057 -4.006 -0.579 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.412 -1.507 -5.066 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.164 -0.315 -5.866 1.00 0.00 C ATOM 1050 C ALA A 62 -2.955 -0.673 -7.335 1.00 0.00 C ATOM 1051 O ALA A 62 -2.707 0.204 -8.162 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.929 0.417 -5.338 1.00 0.00 C ATOM 0 H ALA A 62 -2.689 -1.714 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.037 0.333 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.749 1.307 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.094 0.708 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.063 -0.242 -5.396 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.058 -1.959 -7.661 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.874 -2.396 -9.044 1.00 0.00 C ATOM 1060 C GLU A 63 -4.205 -2.387 -9.791 1.00 0.00 C ATOM 1061 O GLU A 63 -4.349 -3.030 -10.831 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.273 -3.805 -9.079 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.244 -4.810 -8.431 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.703 -5.841 -9.458 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -2.931 -6.739 -9.753 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -4.820 -5.719 -9.933 1.00 0.00 O ATOM 0 H GLU A 63 -3.265 -2.707 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.191 -1.702 -9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.069 -4.097 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.320 -3.816 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.755 -5.311 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.107 -4.282 -8.025 1.00 0.00 H new ATOM 1073 N SER A 64 -5.177 -1.655 -9.250 1.00 0.00 N ATOM 1074 CA SER A 64 -6.500 -1.567 -9.866 1.00 0.00 C ATOM 1075 C SER A 64 -6.782 -0.145 -10.339 1.00 0.00 C ATOM 1076 O SER A 64 -7.491 0.063 -11.323 1.00 0.00 O ATOM 1077 CB SER A 64 -7.569 -1.987 -8.859 1.00 0.00 C ATOM 1078 OG SER A 64 -8.855 -1.688 -9.386 1.00 0.00 O ATOM 0 H SER A 64 -5.075 -1.116 -8.390 1.00 0.00 H new ATOM 0 HA SER A 64 -6.523 -2.235 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.488 -3.054 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.420 -1.464 -7.914 1.00 0.00 H new ATOM 0 HG SER A 64 -9.543 -1.958 -8.742 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.226 0.832 -9.628 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.430 2.231 -9.983 1.00 0.00 C ATOM 1086 C LEU A 65 -5.524 2.628 -11.144 1.00 0.00 C ATOM 1087 O LEU A 65 -5.836 3.547 -11.901 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.143 3.120 -8.770 1.00 0.00 C ATOM 1089 CG LEU A 65 -6.257 4.601 -9.159 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.631 4.872 -9.785 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.087 5.468 -7.905 1.00 0.00 C ATOM 0 H LEU A 65 -5.636 0.682 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.467 2.365 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.846 2.892 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.144 2.913 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.480 4.844 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.705 5.925 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.753 4.256 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.413 4.628 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.167 6.521 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.865 5.219 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.108 5.281 -7.463 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.399 1.932 -11.277 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.448 2.220 -12.349 1.00 0.00 C ATOM 1105 C TYR A 66 -3.279 1.003 -13.253 1.00 0.00 C ATOM 1106 O TYR A 66 -3.728 -0.095 -12.924 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.089 2.600 -11.755 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.270 3.670 -10.704 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.928 4.998 -10.993 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.772 3.336 -9.440 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.090 5.990 -10.019 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -2.934 4.330 -8.465 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.593 5.656 -8.756 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.752 6.635 -7.797 1.00 0.00 O ATOM 0 H TYR A 66 -4.123 1.168 -10.660 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.835 3.051 -12.938 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.616 1.722 -11.315 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.426 2.959 -12.542 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.539 5.256 -11.967 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.034 2.312 -9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.827 7.013 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.322 4.073 -7.490 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.669 7.518 -8.214 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.630 1.206 -14.394 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.407 0.119 -15.340 1.00 0.00 C ATOM 1126 C GLU A 67 -1.832 -1.100 -14.628 1.00 0.00 C ATOM 1127 O GLU A 67 -2.322 -2.216 -14.793 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.442 0.571 -16.441 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.073 1.714 -17.240 1.00 0.00 C ATOM 1130 CD GLU A 67 -2.000 3.012 -16.443 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -3.046 3.516 -16.070 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -0.897 3.484 -16.217 1.00 0.00 O ATOM 0 H GLU A 67 -2.251 2.107 -14.685 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.365 -0.151 -15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.500 0.898 -16.001 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.212 -0.264 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.555 1.833 -18.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.112 1.477 -17.470 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.790 -0.877 -13.835 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.154 -1.964 -13.099 1.00 0.00 C ATOM 1141 C GLY A 68 1.035 -1.451 -12.295 1.00 0.00 C ATOM 1142 O GLY A 68 2.165 -1.436 -12.781 1.00 0.00 O ATOM 0 H GLY A 68 -0.370 0.040 -13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.878 -2.428 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.177 -2.735 -13.795 1.00 0.00 H new ATOM 1146 N ILE A 69 0.772 -1.028 -11.062 1.00 0.00 N ATOM 1147 CA ILE A 69 1.829 -0.513 -10.201 1.00 0.00 C ATOM 1148 C ILE A 69 3.027 -1.457 -10.193 1.00 0.00 C ATOM 1149 O ILE A 69 2.882 -2.669 -10.351 1.00 0.00 O ATOM 1150 CB ILE A 69 1.303 -0.341 -8.771 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.245 0.775 -8.736 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.464 0.011 -7.833 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.918 2.143 -8.571 1.00 0.00 C ATOM 0 H ILE A 69 -0.157 -1.032 -10.640 1.00 0.00 H new ATOM 0 HA ILE A 69 2.147 0.454 -10.591 1.00 0.00 H new ATOM 0 HB ILE A 69 0.847 -1.274 -8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.341 0.759 -9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.449 0.602 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.087 0.133 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.203 -0.790 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.928 0.941 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.157 2.923 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.483 2.160 -7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.593 2.320 -9.408 1.00 0.00 H new ATOM 1165 N LYS A 70 4.211 -0.886 -10.000 1.00 0.00 N ATOM 1166 CA LYS A 70 5.439 -1.669 -9.962 1.00 0.00 C ATOM 1167 C LYS A 70 5.778 -2.060 -8.528 1.00 0.00 C ATOM 1168 O LYS A 70 6.295 -3.148 -8.278 1.00 0.00 O ATOM 1169 CB LYS A 70 6.592 -0.857 -10.560 1.00 0.00 C ATOM 1170 CG LYS A 70 6.495 -0.870 -12.093 1.00 0.00 C ATOM 1171 CD LYS A 70 7.885 -0.663 -12.694 1.00 0.00 C ATOM 1172 CE LYS A 70 7.759 -0.364 -14.189 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.078 -0.570 -14.850 1.00 0.00 N ATOM 0 H LYS A 70 4.346 0.116 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 70 5.291 -2.576 -10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.556 0.169 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.547 -1.276 -10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.077 -1.818 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.820 -0.084 -12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.391 0.160 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.495 -1.554 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.009 -1.015 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.422 0.662 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.992 -0.367 -15.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.782 0.069 -14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.382 -1.556 -14.719 1.00 0.00 H new ATOM 1187 N SER A 71 5.480 -1.168 -7.587 1.00 0.00 N ATOM 1188 CA SER A 71 5.757 -1.436 -6.180 1.00 0.00 C ATOM 1189 C SER A 71 5.373 -0.239 -5.313 1.00 0.00 C ATOM 1190 O SER A 71 4.844 0.757 -5.805 1.00 0.00 O ATOM 1191 CB SER A 71 7.242 -1.749 -5.991 1.00 0.00 C ATOM 1192 OG SER A 71 8.014 -0.859 -6.787 1.00 0.00 O ATOM 0 H SER A 71 5.051 -0.261 -7.771 1.00 0.00 H new ATOM 0 HA SER A 71 5.161 -2.295 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.516 -1.647 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.447 -2.781 -6.276 1.00 0.00 H new ATOM 0 HG SER A 71 8.967 -1.056 -6.667 1.00 0.00 H new ATOM 1198 N VAL A 72 5.659 -0.350 -4.018 1.00 0.00 N ATOM 1199 CA VAL A 72 5.360 0.717 -3.065 1.00 0.00 C ATOM 1200 C VAL A 72 6.364 0.681 -1.915 1.00 0.00 C ATOM 1201 O VAL A 72 6.897 -0.375 -1.577 1.00 0.00 O ATOM 1202 CB VAL A 72 3.939 0.558 -2.521 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.579 1.767 -1.655 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.953 0.458 -3.688 1.00 0.00 C ATOM 0 H VAL A 72 6.099 -1.171 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 72 5.435 1.677 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 72 3.885 -0.348 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.566 1.650 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.278 1.839 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.636 2.675 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.941 0.345 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.011 1.364 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.204 -0.406 -4.304 1.00 0.00 H new ATOM 1214 N ASN A 73 6.634 1.848 -1.333 1.00 0.00 N ATOM 1215 CA ASN A 73 7.596 1.943 -0.240 1.00 0.00 C ATOM 1216 C ASN A 73 7.357 3.185 0.617 1.00 0.00 C ATOM 1217 O ASN A 73 6.868 4.208 0.137 1.00 0.00 O ATOM 1218 CB ASN A 73 9.012 1.996 -0.815 1.00 0.00 C ATOM 1219 CG ASN A 73 10.038 1.940 0.314 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.684 1.490 1.486 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 11.194 2.318 0.121 1.00 0.00 N flip ATOM 0 H ASN A 73 6.203 2.734 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 73 7.472 1.065 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.167 1.162 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.145 2.911 -1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.469 2.670 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.876 2.279 0.878 1.00 0.00 H new ATOM 1228 N PHE A 74 7.725 3.075 1.892 1.00 0.00 N ATOM 1229 CA PHE A 74 7.577 4.175 2.844 1.00 0.00 C ATOM 1230 C PHE A 74 8.915 4.442 3.524 1.00 0.00 C ATOM 1231 O PHE A 74 9.706 3.521 3.729 1.00 0.00 O ATOM 1232 CB PHE A 74 6.517 3.822 3.901 1.00 0.00 C ATOM 1233 CG PHE A 74 5.667 2.670 3.416 1.00 0.00 C ATOM 1234 CD1 PHE A 74 6.231 1.396 3.289 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.318 2.873 3.102 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.447 0.324 2.845 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.534 1.801 2.657 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.099 0.527 2.530 1.00 0.00 C ATOM 0 H PHE A 74 8.131 2.229 2.292 1.00 0.00 H new ATOM 0 HA PHE A 74 7.256 5.069 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.002 3.556 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.888 4.690 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.271 1.239 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.882 3.856 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.883 -0.659 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.494 1.958 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.494 -0.300 2.189 1.00 0.00 H new ATOM 1248 N VAL A 75 9.171 5.700 3.869 1.00 0.00 N ATOM 1249 CA VAL A 75 10.430 6.055 4.521 1.00 0.00 C ATOM 1250 C VAL A 75 10.229 7.200 5.508 1.00 0.00 C ATOM 1251 O VAL A 75 9.109 7.476 5.932 1.00 0.00 O ATOM 1252 CB VAL A 75 11.466 6.457 3.471 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.552 5.375 2.392 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.055 7.786 2.831 1.00 0.00 C ATOM 0 H VAL A 75 8.535 6.482 3.712 1.00 0.00 H new ATOM 0 HA VAL A 75 10.787 5.184 5.070 1.00 0.00 H new ATOM 0 HB VAL A 75 12.440 6.569 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.291 5.664 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.847 4.430 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.579 5.260 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.793 8.073 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.080 7.675 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.998 8.557 3.599 1.00 0.00 H new ATOM 1264 N ASN A 76 11.327 7.859 5.875 1.00 0.00 N ATOM 1265 CA ASN A 76 11.263 8.972 6.821 1.00 0.00 C ATOM 1266 C ASN A 76 11.239 10.309 6.087 1.00 0.00 C ATOM 1267 O ASN A 76 11.632 10.401 4.924 1.00 0.00 O ATOM 1268 CB ASN A 76 12.467 8.924 7.767 1.00 0.00 C ATOM 1269 CG ASN A 76 12.898 7.479 7.993 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.160 6.751 7.036 1.00 0.00 O ATOM 1271 ND2 ASN A 76 12.986 7.018 9.211 1.00 0.00 N ATOM 0 H ASN A 76 12.264 7.644 5.535 1.00 0.00 H new ATOM 0 HA ASN A 76 10.343 8.877 7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.293 9.497 7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.210 9.388 8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.273 6.052 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.768 7.623 10.002 1.00 0.00 H new ATOM 1278 N GLU A 77 10.768 11.342 6.777 1.00 0.00 N ATOM 1279 CA GLU A 77 10.683 12.676 6.189 1.00 0.00 C ATOM 1280 C GLU A 77 11.989 13.064 5.504 1.00 0.00 C ATOM 1281 O GLU A 77 11.979 13.724 4.466 1.00 0.00 O ATOM 1282 CB GLU A 77 10.354 13.701 7.278 1.00 0.00 C ATOM 1283 CG GLU A 77 9.862 14.997 6.630 1.00 0.00 C ATOM 1284 CD GLU A 77 9.754 16.096 7.680 1.00 0.00 C ATOM 1285 OE1 GLU A 77 8.663 16.296 8.190 1.00 0.00 O ATOM 1286 OE2 GLU A 77 10.762 16.724 7.958 1.00 0.00 O ATOM 0 H GLU A 77 10.440 11.283 7.741 1.00 0.00 H new ATOM 0 HA GLU A 77 9.893 12.664 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.590 13.304 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.238 13.898 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.549 15.303 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.891 14.833 6.162 1.00 0.00 H new ATOM 1293 N GLN A 78 13.113 12.659 6.086 1.00 0.00 N ATOM 1294 CA GLN A 78 14.413 12.986 5.507 1.00 0.00 C ATOM 1295 C GLN A 78 14.652 12.165 4.243 1.00 0.00 C ATOM 1296 O GLN A 78 14.948 12.715 3.181 1.00 0.00 O ATOM 1297 CB GLN A 78 15.524 12.714 6.524 1.00 0.00 C ATOM 1298 CG GLN A 78 16.850 13.271 6.000 1.00 0.00 C ATOM 1299 CD GLN A 78 17.998 12.799 6.885 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.768 12.159 7.912 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.227 13.077 6.549 1.00 0.00 N ATOM 0 H GLN A 78 13.152 12.112 6.946 1.00 0.00 H new ATOM 0 HA GLN A 78 14.422 14.044 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.277 13.176 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.613 11.642 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.012 12.942 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.816 14.360 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.416 13.607 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.000 12.764 7.137 1.00 0.00 H new ATOM 1310 N ASP A 79 14.514 10.850 4.363 1.00 0.00 N ATOM 1311 CA ASP A 79 14.710 9.966 3.221 1.00 0.00 C ATOM 1312 C ASP A 79 13.734 10.322 2.104 1.00 0.00 C ATOM 1313 O ASP A 79 14.129 10.523 0.952 1.00 0.00 O ATOM 1314 CB ASP A 79 14.497 8.513 3.650 1.00 0.00 C ATOM 1315 CG ASP A 79 15.710 8.017 4.433 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.218 8.776 5.241 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.111 6.887 4.212 1.00 0.00 O ATOM 0 H ASP A 79 14.269 10.375 5.232 1.00 0.00 H new ATOM 0 HA ASP A 79 15.728 10.088 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.600 8.434 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.339 7.886 2.773 1.00 0.00 H new ATOM 1322 N PHE A 80 12.455 10.419 2.454 1.00 0.00 N ATOM 1323 CA PHE A 80 11.434 10.770 1.478 1.00 0.00 C ATOM 1324 C PHE A 80 11.857 12.025 0.721 1.00 0.00 C ATOM 1325 O PHE A 80 11.691 12.116 -0.492 1.00 0.00 O ATOM 1326 CB PHE A 80 10.101 11.008 2.203 1.00 0.00 C ATOM 1327 CG PHE A 80 9.212 11.925 1.392 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.482 11.420 0.310 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.113 13.280 1.731 1.00 0.00 C ATOM 1330 CE1 PHE A 80 7.653 12.269 -0.433 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.285 14.129 0.988 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.555 13.624 -0.094 1.00 0.00 C ATOM 0 H PHE A 80 12.105 10.261 3.399 1.00 0.00 H new ATOM 0 HA PHE A 80 11.311 9.956 0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.596 10.056 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.287 11.446 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.558 10.375 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.676 13.670 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.089 11.879 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.209 15.174 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.916 14.279 -0.667 1.00 0.00 H new ATOM 1342 N PHE A 81 12.416 12.987 1.452 1.00 0.00 N ATOM 1343 CA PHE A 81 12.870 14.237 0.850 1.00 0.00 C ATOM 1344 C PHE A 81 13.954 13.982 -0.191 1.00 0.00 C ATOM 1345 O PHE A 81 14.024 14.672 -1.208 1.00 0.00 O ATOM 1346 CB PHE A 81 13.419 15.171 1.931 1.00 0.00 C ATOM 1347 CG PHE A 81 13.459 16.580 1.388 1.00 0.00 C ATOM 1348 CD1 PHE A 81 14.674 17.140 0.977 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.276 17.320 1.289 1.00 0.00 C ATOM 1350 CE1 PHE A 81 14.705 18.443 0.467 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.307 18.623 0.780 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.522 19.185 0.368 1.00 0.00 C ATOM 0 H PHE A 81 12.565 12.925 2.459 1.00 0.00 H new ATOM 0 HA PHE A 81 12.015 14.702 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.791 15.128 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.418 14.854 2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 81 15.587 16.567 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.339 16.886 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 81 15.642 18.876 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.394 19.195 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.546 20.190 -0.026 1.00 0.00 H new ATOM 1362 N PHE A 82 14.802 12.995 0.066 1.00 0.00 N ATOM 1363 CA PHE A 82 15.874 12.672 -0.866 1.00 0.00 C ATOM 1364 C PHE A 82 15.289 12.152 -2.174 1.00 0.00 C ATOM 1365 O PHE A 82 15.899 12.279 -3.235 1.00 0.00 O ATOM 1366 CB PHE A 82 16.797 11.614 -0.257 1.00 0.00 C ATOM 1367 CG PHE A 82 17.951 11.347 -1.195 1.00 0.00 C ATOM 1368 CD1 PHE A 82 18.056 10.110 -1.845 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.917 12.337 -1.415 1.00 0.00 C ATOM 1370 CE1 PHE A 82 19.127 9.864 -2.712 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.987 12.090 -2.283 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.092 10.853 -2.932 1.00 0.00 C ATOM 0 H PHE A 82 14.770 12.411 0.901 1.00 0.00 H new ATOM 0 HA PHE A 82 16.450 13.576 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.171 11.956 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.242 10.694 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 82 17.311 9.347 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.836 13.291 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 82 19.209 8.910 -3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.732 12.853 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 82 20.917 10.663 -3.602 1.00 0.00 H new ATOM 1382 N ASN A 83 14.105 11.554 -2.083 1.00 0.00 N ATOM 1383 CA ASN A 83 13.445 11.003 -3.263 1.00 0.00 C ATOM 1384 C ASN A 83 13.000 12.108 -4.227 1.00 0.00 C ATOM 1385 O ASN A 83 13.174 11.981 -5.439 1.00 0.00 O ATOM 1386 CB ASN A 83 12.235 10.156 -2.837 1.00 0.00 C ATOM 1387 CG ASN A 83 12.331 8.758 -3.442 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.715 8.481 -4.471 1.00 0.00 O ATOM 1389 ND2 ASN A 83 13.072 7.855 -2.858 1.00 0.00 N ATOM 0 H ASN A 83 13.586 11.439 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 83 14.164 10.374 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.194 10.088 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.312 10.638 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.141 6.918 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.582 8.087 -2.005 1.00 0.00 H new ATOM 1396 N LEU A 84 12.423 13.188 -3.696 1.00 0.00 N ATOM 1397 CA LEU A 84 11.969 14.285 -4.555 1.00 0.00 C ATOM 1398 C LEU A 84 13.116 15.241 -4.867 1.00 0.00 C ATOM 1399 O LEU A 84 13.032 16.044 -5.796 1.00 0.00 O ATOM 1400 CB LEU A 84 10.822 15.066 -3.893 1.00 0.00 C ATOM 1401 CG LEU A 84 10.955 15.032 -2.365 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.408 16.334 -1.773 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.148 13.854 -1.815 1.00 0.00 C ATOM 0 H LEU A 84 12.261 13.326 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 84 11.608 13.843 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.830 16.099 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.865 14.637 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 84 12.005 14.921 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.503 16.308 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.973 17.179 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.358 16.443 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.239 13.826 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.099 13.972 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.530 12.924 -2.236 1.00 0.00 H new ATOM 1415 N ALA A 85 14.184 15.153 -4.084 1.00 0.00 N ATOM 1416 CA ALA A 85 15.338 16.020 -4.285 1.00 0.00 C ATOM 1417 C ALA A 85 16.148 15.563 -5.495 1.00 0.00 C ATOM 1418 O ALA A 85 16.878 16.351 -6.098 1.00 0.00 O ATOM 1419 CB ALA A 85 16.225 16.011 -3.039 1.00 0.00 C ATOM 0 H ALA A 85 14.275 14.495 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 85 14.979 17.033 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.084 16.662 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.653 16.369 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.570 14.995 -2.845 1.00 0.00 H new ATOM 1425 N LYS A 86 16.014 14.288 -5.842 1.00 0.00 N ATOM 1426 CA LYS A 86 16.737 13.735 -6.981 1.00 0.00 C ATOM 1427 C LYS A 86 16.687 14.692 -8.167 1.00 0.00 C ATOM 1428 O LYS A 86 17.704 14.955 -8.810 1.00 0.00 O ATOM 1429 CB LYS A 86 16.125 12.390 -7.382 1.00 0.00 C ATOM 1430 CG LYS A 86 16.846 11.847 -8.619 1.00 0.00 C ATOM 1431 CD LYS A 86 16.580 10.341 -8.756 1.00 0.00 C ATOM 1432 CE LYS A 86 17.610 9.555 -7.937 1.00 0.00 C ATOM 1433 NZ LYS A 86 18.892 9.480 -8.693 1.00 0.00 N ATOM 0 H LYS A 86 15.415 13.621 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 86 17.778 13.591 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.209 11.681 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.062 12.510 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.501 12.369 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.917 12.031 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.573 10.107 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.634 10.047 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.771 10.039 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.238 8.552 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.514 8.773 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.699 9.206 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.359 10.409 -8.678 1.00 0.00 H new