USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 758 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 43 ASN :FLIP amide:sc= -3.42! C(o=-5.7!,f=-4.8!) USER MOD Set 1.2: A 45 HIS :FLIP no HD1:sc= -1.35 F(o=-5.8,f=-4.8) USER MOD Set 2.1: A 35 GLN : amide:sc= -4.64! C(o=-4.6!,f=-6.1!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0841 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 176:sc= -2.7! (180deg=-2.95!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -123:sc= 0.556 USER MOD Single : A 20 THR OG1 : rot -40:sc= 0.213 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0.00236 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= 1.07 (180deg=-0.9!) USER MOD Single : A 33 THR OG1 : rot 152:sc= 0.0383 USER MOD Single : A 38 TYR OH : rot 180:sc= -1.7 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 130:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.132 USER MOD Single : A 47 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.7!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0.00329 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.0587 USER MOD Single : A 63 ASN : amide:sc= -1.72! X(o=-1.7!,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.7!) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc=-0.00293 (180deg=-0.115) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-9.98e-05 X(o=-0.0001,f=-0.022) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 168:sc= 0.249 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0551) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.703 -18.421 12.063 1.00 0.00 N ATOM 2 CA GLY A 1 -11.116 -17.452 11.156 1.00 0.00 C ATOM 3 C GLY A 1 -9.731 -17.857 10.692 1.00 0.00 C ATOM 4 O GLY A 1 -8.736 -17.241 11.075 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.649 -18.098 12.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.782 -19.341 11.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.100 -18.519 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.765 -17.331 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.061 -16.482 11.651 1.00 0.00 H new ATOM 8 N SER A 2 -9.665 -18.896 9.866 1.00 0.00 N ATOM 9 CA SER A 2 -8.391 -19.386 9.354 1.00 0.00 C ATOM 10 C SER A 2 -7.748 -18.361 8.424 1.00 0.00 C ATOM 11 O SER A 2 -8.378 -17.376 8.038 1.00 0.00 O ATOM 12 CB SER A 2 -8.590 -20.709 8.612 1.00 0.00 C ATOM 13 OG SER A 2 -7.384 -21.451 8.559 1.00 0.00 O ATOM 0 H SER A 2 -10.479 -19.415 9.537 1.00 0.00 H new ATOM 0 HA SER A 2 -7.726 -19.549 10.202 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.361 -21.297 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.944 -20.512 7.600 1.00 0.00 H new ATOM 0 HG SER A 2 -7.538 -22.293 8.081 1.00 0.00 H new ATOM 19 N SER A 3 -6.490 -18.600 8.069 1.00 0.00 N ATOM 20 CA SER A 3 -5.760 -17.696 7.187 1.00 0.00 C ATOM 21 C SER A 3 -6.044 -18.018 5.723 1.00 0.00 C ATOM 22 O SER A 3 -6.302 -17.124 4.919 1.00 0.00 O ATOM 23 CB SER A 3 -4.257 -17.789 7.460 1.00 0.00 C ATOM 24 OG SER A 3 -3.761 -19.079 7.150 1.00 0.00 O ATOM 0 H SER A 3 -5.955 -19.411 8.378 1.00 0.00 H new ATOM 0 HA SER A 3 -6.097 -16.679 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.730 -17.041 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.060 -17.562 8.508 1.00 0.00 H new ATOM 0 HG SER A 3 -2.799 -19.112 7.331 1.00 0.00 H new ATOM 30 N GLY A 4 -5.993 -19.303 5.386 1.00 0.00 N ATOM 31 CA GLY A 4 -6.246 -19.722 4.019 1.00 0.00 C ATOM 32 C GLY A 4 -4.996 -20.226 3.326 1.00 0.00 C ATOM 33 O GLY A 4 -4.860 -21.423 3.071 1.00 0.00 O ATOM 0 H GLY A 4 -5.781 -20.061 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.001 -20.508 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.657 -18.884 3.456 1.00 0.00 H new ATOM 37 N SER A 5 -4.081 -19.312 3.019 1.00 0.00 N ATOM 38 CA SER A 5 -2.838 -19.670 2.346 1.00 0.00 C ATOM 39 C SER A 5 -1.630 -19.210 3.156 1.00 0.00 C ATOM 40 O SER A 5 -1.512 -18.034 3.502 1.00 0.00 O ATOM 41 CB SER A 5 -2.795 -19.053 0.947 1.00 0.00 C ATOM 42 OG SER A 5 -3.998 -19.302 0.242 1.00 0.00 O ATOM 0 H SER A 5 -4.177 -18.318 3.226 1.00 0.00 H new ATOM 0 HA SER A 5 -2.801 -20.756 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.632 -17.978 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.952 -19.464 0.391 1.00 0.00 H new ATOM 0 HG SER A 5 -3.945 -18.896 -0.648 1.00 0.00 H new ATOM 48 N SER A 6 -0.734 -20.145 3.455 1.00 0.00 N ATOM 49 CA SER A 6 0.464 -19.837 4.227 1.00 0.00 C ATOM 50 C SER A 6 1.179 -18.616 3.657 1.00 0.00 C ATOM 51 O SER A 6 0.932 -18.212 2.521 1.00 0.00 O ATOM 52 CB SER A 6 1.412 -21.038 4.237 1.00 0.00 C ATOM 53 OG SER A 6 1.040 -21.973 5.235 1.00 0.00 O ATOM 0 H SER A 6 -0.815 -21.122 3.174 1.00 0.00 H new ATOM 0 HA SER A 6 0.160 -19.614 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.402 -21.521 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.432 -20.698 4.415 1.00 0.00 H new ATOM 0 HG SER A 6 1.660 -22.732 5.220 1.00 0.00 H new ATOM 59 N GLY A 7 2.066 -18.031 4.456 1.00 0.00 N ATOM 60 CA GLY A 7 2.804 -16.861 4.015 1.00 0.00 C ATOM 61 C GLY A 7 3.316 -17.000 2.595 1.00 0.00 C ATOM 62 O GLY A 7 3.334 -18.098 2.038 1.00 0.00 O ATOM 0 H GLY A 7 2.287 -18.346 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.161 -15.983 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.646 -16.692 4.687 1.00 0.00 H new ATOM 66 N LYS A 8 3.733 -15.884 2.006 1.00 0.00 N ATOM 67 CA LYS A 8 4.249 -15.885 0.643 1.00 0.00 C ATOM 68 C LYS A 8 5.391 -14.885 0.492 1.00 0.00 C ATOM 69 O LYS A 8 5.182 -13.674 0.567 1.00 0.00 O ATOM 70 CB LYS A 8 3.130 -15.551 -0.347 1.00 0.00 C ATOM 71 CG LYS A 8 3.515 -15.778 -1.799 1.00 0.00 C ATOM 72 CD LYS A 8 3.358 -17.236 -2.196 1.00 0.00 C ATOM 73 CE LYS A 8 4.205 -17.577 -3.413 1.00 0.00 C ATOM 74 NZ LYS A 8 3.514 -17.225 -4.684 1.00 0.00 N ATOM 0 H LYS A 8 3.723 -14.967 2.452 1.00 0.00 H new ATOM 0 HA LYS A 8 4.633 -16.882 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.256 -16.158 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.839 -14.509 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.893 -15.156 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.548 -15.467 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.646 -17.875 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.310 -17.445 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.154 -17.044 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.436 -18.642 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.123 -17.472 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.620 -17.752 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.316 -16.204 -4.700 1.00 0.00 H new ATOM 88 N ALA A 9 6.597 -15.399 0.278 1.00 0.00 N ATOM 89 CA ALA A 9 7.771 -14.550 0.113 1.00 0.00 C ATOM 90 C ALA A 9 7.428 -13.284 -0.665 1.00 0.00 C ATOM 91 O ALA A 9 8.058 -12.242 -0.483 1.00 0.00 O ATOM 92 CB ALA A 9 8.883 -15.318 -0.587 1.00 0.00 C ATOM 0 H ALA A 9 6.787 -16.399 0.215 1.00 0.00 H new ATOM 0 HA ALA A 9 8.117 -14.253 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.753 -14.672 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.155 -16.189 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.538 -15.643 -1.569 1.00 0.00 H new ATOM 98 N PHE A 10 6.428 -13.382 -1.534 1.00 0.00 N ATOM 99 CA PHE A 10 6.003 -12.245 -2.342 1.00 0.00 C ATOM 100 C PHE A 10 5.323 -11.187 -1.477 1.00 0.00 C ATOM 101 O PHE A 10 5.727 -10.023 -1.468 1.00 0.00 O ATOM 102 CB PHE A 10 5.050 -12.705 -3.447 1.00 0.00 C ATOM 103 CG PHE A 10 4.951 -11.739 -4.593 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.102 -10.646 -4.524 1.00 0.00 C ATOM 105 CD2 PHE A 10 5.706 -11.924 -5.740 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.008 -9.755 -5.577 1.00 0.00 C ATOM 107 CE2 PHE A 10 5.618 -11.037 -6.795 1.00 0.00 C ATOM 108 CZ PHE A 10 4.767 -9.952 -6.714 1.00 0.00 C ATOM 0 H PHE A 10 5.897 -14.237 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 10 6.890 -11.803 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.384 -13.672 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.058 -12.854 -3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.507 -10.488 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.371 -12.772 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.343 -8.907 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.214 -11.192 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.695 -9.258 -7.539 1.00 0.00 H new ATOM 118 N LEU A 11 4.290 -11.599 -0.751 1.00 0.00 N ATOM 119 CA LEU A 11 3.553 -10.688 0.118 1.00 0.00 C ATOM 120 C LEU A 11 4.340 -10.394 1.391 1.00 0.00 C ATOM 121 O LEU A 11 4.645 -9.240 1.690 1.00 0.00 O ATOM 122 CB LEU A 11 2.189 -11.283 0.474 1.00 0.00 C ATOM 123 CG LEU A 11 1.047 -10.967 -0.492 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.129 -11.902 -0.253 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.614 -9.516 -0.351 1.00 0.00 C ATOM 0 H LEU A 11 3.943 -12.558 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 11 3.405 -9.752 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.293 -12.366 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.908 -10.929 1.466 1.00 0.00 H new ATOM 0 HG LEU A 11 1.406 -11.120 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.932 -11.662 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.189 -12.933 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.488 -11.782 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.200 -9.310 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.274 -9.335 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.457 -8.862 -0.574 1.00 0.00 H new ATOM 137 N GLU A 12 4.667 -11.446 2.135 1.00 0.00 N ATOM 138 CA GLU A 12 5.420 -11.299 3.376 1.00 0.00 C ATOM 139 C GLU A 12 6.421 -10.152 3.272 1.00 0.00 C ATOM 140 O GLU A 12 6.533 -9.328 4.179 1.00 0.00 O ATOM 141 CB GLU A 12 6.151 -12.601 3.711 1.00 0.00 C ATOM 142 CG GLU A 12 7.541 -12.691 3.105 1.00 0.00 C ATOM 143 CD GLU A 12 8.235 -14.000 3.429 1.00 0.00 C ATOM 144 OE1 GLU A 12 7.546 -15.041 3.475 1.00 0.00 O ATOM 145 OE2 GLU A 12 9.466 -13.983 3.638 1.00 0.00 O ATOM 0 H GLU A 12 4.423 -12.408 1.901 1.00 0.00 H new ATOM 0 HA GLU A 12 4.715 -11.071 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.229 -12.696 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.555 -13.443 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.469 -12.580 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.147 -11.862 3.471 1.00 0.00 H new ATOM 152 N ASP A 13 7.146 -10.107 2.159 1.00 0.00 N ATOM 153 CA ASP A 13 8.138 -9.062 1.936 1.00 0.00 C ATOM 154 C ASP A 13 7.472 -7.692 1.840 1.00 0.00 C ATOM 155 O ASP A 13 7.615 -6.859 2.734 1.00 0.00 O ATOM 156 CB ASP A 13 8.931 -9.347 0.659 1.00 0.00 C ATOM 157 CG ASP A 13 10.121 -8.421 0.498 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.981 -8.397 1.404 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.193 -7.722 -0.534 1.00 0.00 O ATOM 0 H ASP A 13 7.065 -10.782 1.398 1.00 0.00 H new ATOM 0 HA ASP A 13 8.821 -9.056 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.278 -10.380 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.274 -9.243 -0.204 1.00 0.00 H new ATOM 164 N MET A 14 6.746 -7.467 0.750 1.00 0.00 N ATOM 165 CA MET A 14 6.059 -6.199 0.538 1.00 0.00 C ATOM 166 C MET A 14 5.570 -5.618 1.861 1.00 0.00 C ATOM 167 O MET A 14 5.705 -4.420 2.113 1.00 0.00 O ATOM 168 CB MET A 14 4.878 -6.387 -0.416 1.00 0.00 C ATOM 169 CG MET A 14 4.045 -5.130 -0.608 1.00 0.00 C ATOM 170 SD MET A 14 2.340 -5.491 -1.069 1.00 0.00 S ATOM 171 CE MET A 14 1.810 -6.471 0.333 1.00 0.00 C ATOM 0 H MET A 14 6.618 -8.146 0.000 1.00 0.00 H new ATOM 0 HA MET A 14 6.768 -5.500 0.094 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.253 -6.716 -1.385 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.238 -7.183 -0.036 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.053 -4.549 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.502 -4.510 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.752 -6.711 0.230 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.390 -7.393 0.372 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.966 -5.906 1.252 1.00 0.00 H new ATOM 181 N LYS A 15 5.002 -6.474 2.704 1.00 0.00 N ATOM 182 CA LYS A 15 4.493 -6.046 4.002 1.00 0.00 C ATOM 183 C LYS A 15 5.557 -5.272 4.775 1.00 0.00 C ATOM 184 O LYS A 15 5.419 -4.071 5.006 1.00 0.00 O ATOM 185 CB LYS A 15 4.036 -7.258 4.818 1.00 0.00 C ATOM 186 CG LYS A 15 2.876 -8.011 4.191 1.00 0.00 C ATOM 187 CD LYS A 15 2.343 -9.088 5.120 1.00 0.00 C ATOM 188 CE LYS A 15 1.707 -10.231 4.343 1.00 0.00 C ATOM 189 NZ LYS A 15 1.354 -11.375 5.228 1.00 0.00 N ATOM 0 H LYS A 15 4.883 -7.469 2.512 1.00 0.00 H new ATOM 0 HA LYS A 15 3.641 -5.388 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.877 -7.940 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.746 -6.926 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.076 -7.312 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.199 -8.465 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.156 -9.473 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.608 -8.654 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.810 -9.872 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.395 -10.570 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.923 -12.133 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.213 -11.734 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.678 -11.058 5.952 1.00 0.00 H new ATOM 203 N LYS A 16 6.618 -5.967 5.170 1.00 0.00 N ATOM 204 CA LYS A 16 7.707 -5.345 5.914 1.00 0.00 C ATOM 205 C LYS A 16 8.162 -4.056 5.236 1.00 0.00 C ATOM 206 O LYS A 16 8.120 -2.981 5.834 1.00 0.00 O ATOM 207 CB LYS A 16 8.886 -6.312 6.038 1.00 0.00 C ATOM 208 CG LYS A 16 8.605 -7.500 6.942 1.00 0.00 C ATOM 209 CD LYS A 16 9.698 -8.551 6.838 1.00 0.00 C ATOM 210 CE LYS A 16 9.196 -9.921 7.268 1.00 0.00 C ATOM 211 NZ LYS A 16 8.875 -9.963 8.721 1.00 0.00 N ATOM 0 H LYS A 16 6.747 -6.962 4.987 1.00 0.00 H new ATOM 0 HA LYS A 16 7.340 -5.101 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.153 -6.676 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.751 -5.770 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.522 -7.161 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.646 -7.943 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.060 -8.601 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.544 -8.260 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.307 -10.179 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.952 -10.672 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.536 -10.913 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.729 -9.741 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.135 -9.264 8.933 1.00 0.00 H new ATOM 225 N TYR A 17 8.596 -4.172 3.986 1.00 0.00 N ATOM 226 CA TYR A 17 9.060 -3.016 3.228 1.00 0.00 C ATOM 227 C TYR A 17 8.017 -1.903 3.240 1.00 0.00 C ATOM 228 O TYR A 17 8.217 -0.857 3.857 1.00 0.00 O ATOM 229 CB TYR A 17 9.375 -3.419 1.786 1.00 0.00 C ATOM 230 CG TYR A 17 9.429 -2.250 0.829 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.616 -1.561 0.610 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.295 -1.835 0.143 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.670 -0.492 -0.263 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.340 -0.768 -0.733 1.00 0.00 C ATOM 235 CZ TYR A 17 9.530 -0.099 -0.932 1.00 0.00 C ATOM 236 OH TYR A 17 9.579 0.965 -1.803 1.00 0.00 O ATOM 0 H TYR A 17 8.636 -5.055 3.476 1.00 0.00 H new ATOM 0 HA TYR A 17 9.968 -2.643 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.332 -3.940 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.619 -4.125 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.511 -1.867 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.361 -2.356 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.600 0.033 -0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.449 -0.459 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 17 8.930 1.645 -1.526 1.00 0.00 H new ATOM 246 N ALA A 18 6.904 -2.136 2.553 1.00 0.00 N ATOM 247 CA ALA A 18 5.828 -1.155 2.485 1.00 0.00 C ATOM 248 C ALA A 18 5.659 -0.433 3.818 1.00 0.00 C ATOM 249 O ALA A 18 5.223 0.717 3.859 1.00 0.00 O ATOM 250 CB ALA A 18 4.525 -1.828 2.080 1.00 0.00 C ATOM 0 H ALA A 18 6.724 -2.996 2.035 1.00 0.00 H new ATOM 0 HA ALA A 18 6.092 -0.414 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.730 -1.084 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.645 -2.293 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.265 -2.590 2.815 1.00 0.00 H new ATOM 256 N GLU A 19 6.008 -1.115 4.904 1.00 0.00 N ATOM 257 CA GLU A 19 5.893 -0.537 6.238 1.00 0.00 C ATOM 258 C GLU A 19 6.999 0.485 6.485 1.00 0.00 C ATOM 259 O GLU A 19 6.746 1.689 6.547 1.00 0.00 O ATOM 260 CB GLU A 19 5.953 -1.636 7.301 1.00 0.00 C ATOM 261 CG GLU A 19 5.247 -1.270 8.595 1.00 0.00 C ATOM 262 CD GLU A 19 5.535 -2.251 9.715 1.00 0.00 C ATOM 263 OE1 GLU A 19 5.061 -3.403 9.632 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.236 -1.866 10.675 1.00 0.00 O ATOM 0 H GLU A 19 6.372 -2.068 4.887 1.00 0.00 H new ATOM 0 HA GLU A 19 4.931 -0.029 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.506 -2.545 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.997 -1.863 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.557 -0.271 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.172 -1.230 8.419 1.00 0.00 H new ATOM 271 N THR A 20 8.228 -0.003 6.625 1.00 0.00 N ATOM 272 CA THR A 20 9.372 0.866 6.866 1.00 0.00 C ATOM 273 C THR A 20 9.509 1.914 5.767 1.00 0.00 C ATOM 274 O THR A 20 10.268 2.874 5.902 1.00 0.00 O ATOM 275 CB THR A 20 10.681 0.059 6.956 1.00 0.00 C ATOM 276 OG1 THR A 20 11.748 0.903 7.404 1.00 0.00 O ATOM 277 CG2 THR A 20 11.039 -0.545 5.606 1.00 0.00 C ATOM 0 H THR A 20 8.456 -0.996 6.575 1.00 0.00 H new ATOM 0 HA THR A 20 9.194 1.365 7.819 1.00 0.00 H new ATOM 0 HB THR A 20 10.534 -0.750 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.666 1.785 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.967 -1.110 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.239 -1.210 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.168 0.252 4.874 1.00 0.00 H new ATOM 285 N PHE A 21 8.770 1.723 4.680 1.00 0.00 N ATOM 286 CA PHE A 21 8.809 2.652 3.556 1.00 0.00 C ATOM 287 C PHE A 21 7.709 3.703 3.681 1.00 0.00 C ATOM 288 O PHE A 21 7.927 4.883 3.403 1.00 0.00 O ATOM 289 CB PHE A 21 8.660 1.895 2.235 1.00 0.00 C ATOM 290 CG PHE A 21 8.302 2.779 1.075 1.00 0.00 C ATOM 291 CD1 PHE A 21 8.906 4.016 0.917 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.361 2.373 0.142 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.578 4.831 -0.150 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.029 3.184 -0.927 1.00 0.00 C ATOM 295 CZ PHE A 21 7.639 4.415 -1.073 1.00 0.00 C ATOM 0 H PHE A 21 8.137 0.934 4.553 1.00 0.00 H new ATOM 0 HA PHE A 21 9.774 3.158 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.594 1.379 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.892 1.129 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.641 4.347 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.881 1.412 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.056 5.793 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.294 2.856 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.382 5.051 -1.907 1.00 0.00 H new ATOM 305 N LEU A 22 6.527 3.265 4.099 1.00 0.00 N ATOM 306 CA LEU A 22 5.391 4.166 4.260 1.00 0.00 C ATOM 307 C LEU A 22 5.300 4.677 5.695 1.00 0.00 C ATOM 308 O LEU A 22 4.379 5.414 6.043 1.00 0.00 O ATOM 309 CB LEU A 22 4.092 3.455 3.876 1.00 0.00 C ATOM 310 CG LEU A 22 3.990 2.980 2.427 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.869 1.963 2.276 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.771 4.161 1.492 1.00 0.00 C ATOM 0 H LEU A 22 6.330 2.292 4.333 1.00 0.00 H new ATOM 0 HA LEU A 22 5.540 5.020 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.967 2.592 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.259 4.130 4.076 1.00 0.00 H new ATOM 0 HG LEU A 22 4.929 2.498 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.812 1.636 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.069 1.104 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.922 2.419 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.701 3.804 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.847 4.673 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.608 4.854 1.579 1.00 0.00 H new ATOM 324 N GLU A 23 6.263 4.280 6.521 1.00 0.00 N ATOM 325 CA GLU A 23 6.292 4.699 7.917 1.00 0.00 C ATOM 326 C GLU A 23 6.171 6.216 8.032 1.00 0.00 C ATOM 327 O GLU A 23 5.264 6.745 8.674 1.00 0.00 O ATOM 328 CB GLU A 23 7.583 4.227 8.588 1.00 0.00 C ATOM 329 CG GLU A 23 7.446 2.889 9.296 1.00 0.00 C ATOM 330 CD GLU A 23 8.514 2.676 10.352 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.029 3.680 10.886 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.834 1.504 10.643 1.00 0.00 O ATOM 0 H GLU A 23 7.033 3.669 6.248 1.00 0.00 H new ATOM 0 HA GLU A 23 5.441 4.244 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.368 4.152 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.904 4.979 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.462 2.828 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.502 2.086 8.561 1.00 0.00 H new ATOM 339 N PRO A 24 7.109 6.934 7.396 1.00 0.00 N ATOM 340 CA PRO A 24 7.131 8.399 7.412 1.00 0.00 C ATOM 341 C PRO A 24 5.984 9.005 6.610 1.00 0.00 C ATOM 342 O PRO A 24 5.783 10.219 6.617 1.00 0.00 O ATOM 343 CB PRO A 24 8.475 8.741 6.765 1.00 0.00 C ATOM 344 CG PRO A 24 8.791 7.567 5.904 1.00 0.00 C ATOM 345 CD PRO A 24 8.221 6.369 6.612 1.00 0.00 C ATOM 0 HA PRO A 24 7.014 8.797 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.410 9.657 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.248 8.899 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.352 7.680 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.867 7.463 5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.873 5.614 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.962 5.890 7.252 1.00 0.00 H new ATOM 353 N TRP A 25 5.236 8.151 5.920 1.00 0.00 N ATOM 354 CA TRP A 25 4.108 8.603 5.113 1.00 0.00 C ATOM 355 C TRP A 25 2.785 8.283 5.798 1.00 0.00 C ATOM 356 O TRP A 25 1.767 8.922 5.534 1.00 0.00 O ATOM 357 CB TRP A 25 4.152 7.952 3.730 1.00 0.00 C ATOM 358 CG TRP A 25 4.915 8.753 2.719 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.444 9.796 1.974 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.285 8.575 2.342 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.438 10.277 1.157 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.577 9.546 1.364 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.294 7.692 2.737 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.835 9.655 0.777 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.541 7.802 2.153 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.803 8.777 1.182 1.00 0.00 C ATOM 0 H TRP A 25 5.390 7.143 5.903 1.00 0.00 H new ATOM 0 HA TRP A 25 4.184 9.685 5.001 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.604 6.964 3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.133 7.806 3.373 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.438 10.186 2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.343 11.053 0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.102 6.937 3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.039 10.406 0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.328 7.124 2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.789 8.837 0.744 1.00 0.00 H new ATOM 377 N PHE A 26 2.806 7.289 6.681 1.00 0.00 N ATOM 378 CA PHE A 26 1.606 6.883 7.404 1.00 0.00 C ATOM 379 C PHE A 26 1.863 6.848 8.907 1.00 0.00 C ATOM 380 O PHE A 26 1.031 7.285 9.702 1.00 0.00 O ATOM 381 CB PHE A 26 1.136 5.509 6.923 1.00 0.00 C ATOM 382 CG PHE A 26 0.556 5.525 5.538 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.302 6.538 5.143 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.869 4.525 4.630 1.00 0.00 C ATOM 385 CE1 PHE A 26 -0.837 6.556 3.868 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.337 4.538 3.355 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.517 5.553 2.973 1.00 0.00 C ATOM 0 H PHE A 26 3.641 6.750 6.913 1.00 0.00 H new ATOM 0 HA PHE A 26 0.825 7.617 7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.978 4.817 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.388 5.126 7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.556 7.323 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.536 3.727 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.504 7.353 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.589 3.754 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.934 5.563 1.977 1.00 0.00 H new ATOM 397 N LYS A 27 3.023 6.324 9.291 1.00 0.00 N ATOM 398 CA LYS A 27 3.392 6.232 10.699 1.00 0.00 C ATOM 399 C LYS A 27 3.814 7.593 11.241 1.00 0.00 C ATOM 400 O LYS A 27 4.557 8.328 10.591 1.00 0.00 O ATOM 401 CB LYS A 27 4.529 5.223 10.883 1.00 0.00 C ATOM 402 CG LYS A 27 4.656 4.704 12.305 1.00 0.00 C ATOM 403 CD LYS A 27 6.099 4.374 12.651 1.00 0.00 C ATOM 404 CE LYS A 27 6.822 5.578 13.233 1.00 0.00 C ATOM 405 NZ LYS A 27 8.175 5.220 13.741 1.00 0.00 N ATOM 0 H LYS A 27 3.723 5.957 8.647 1.00 0.00 H new ATOM 0 HA LYS A 27 2.519 5.894 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.368 4.380 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.469 5.690 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.276 5.451 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.039 3.813 12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.124 3.552 13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.620 4.033 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.913 6.351 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.229 6.000 14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.693 6.087 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.081 4.620 14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.697 4.703 13.005 1.00 0.00 H new ATOM 419 N ALA A 28 3.335 7.923 12.437 1.00 0.00 N ATOM 420 CA ALA A 28 3.666 9.194 13.068 1.00 0.00 C ATOM 421 C ALA A 28 5.139 9.537 12.874 1.00 0.00 C ATOM 422 O ALA A 28 5.979 8.666 12.646 1.00 0.00 O ATOM 423 CB ALA A 28 3.322 9.153 14.549 1.00 0.00 C ATOM 0 H ALA A 28 2.717 7.327 12.987 1.00 0.00 H new ATOM 0 HA ALA A 28 3.073 9.974 12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.574 10.109 15.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.255 8.963 14.670 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.889 8.358 15.032 1.00 0.00 H new ATOM 429 N PRO A 29 5.463 10.835 12.967 1.00 0.00 N ATOM 430 CA PRO A 29 4.471 11.881 13.238 1.00 0.00 C ATOM 431 C PRO A 29 3.524 12.100 12.064 1.00 0.00 C ATOM 432 O PRO A 29 2.594 12.901 12.146 1.00 0.00 O ATOM 433 CB PRO A 29 5.327 13.128 13.475 1.00 0.00 C ATOM 434 CG PRO A 29 6.591 12.867 12.731 1.00 0.00 C ATOM 435 CD PRO A 29 6.821 11.383 12.814 1.00 0.00 C ATOM 0 HA PRO A 29 3.826 11.624 14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.829 14.025 13.107 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.517 13.281 14.537 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.508 13.192 11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.423 13.416 13.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.310 11.001 11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.457 11.122 13.660 1.00 0.00 H new ATOM 443 N ASN A 30 3.767 11.382 10.972 1.00 0.00 N ATOM 444 CA ASN A 30 2.934 11.499 9.780 1.00 0.00 C ATOM 445 C ASN A 30 1.637 10.712 9.943 1.00 0.00 C ATOM 446 O ASN A 30 1.591 9.710 10.658 1.00 0.00 O ATOM 447 CB ASN A 30 3.695 11.000 8.550 1.00 0.00 C ATOM 448 CG ASN A 30 4.666 12.034 8.012 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.461 12.592 6.934 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.730 12.293 8.763 1.00 0.00 N ATOM 0 H ASN A 30 4.533 10.714 10.888 1.00 0.00 H new ATOM 0 HA ASN A 30 2.685 12.551 9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.241 10.092 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.983 10.733 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.418 12.979 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.859 11.806 9.650 1.00 0.00 H new ATOM 457 N LYS A 31 0.585 11.172 9.276 1.00 0.00 N ATOM 458 CA LYS A 31 -0.714 10.512 9.344 1.00 0.00 C ATOM 459 C LYS A 31 -1.705 11.160 8.383 1.00 0.00 C ATOM 460 O LYS A 31 -1.501 12.286 7.931 1.00 0.00 O ATOM 461 CB LYS A 31 -1.262 10.565 10.772 1.00 0.00 C ATOM 462 CG LYS A 31 -1.183 11.945 11.402 1.00 0.00 C ATOM 463 CD LYS A 31 -2.260 12.139 12.456 1.00 0.00 C ATOM 464 CE LYS A 31 -3.546 12.675 11.847 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.460 13.232 12.883 1.00 0.00 N ATOM 0 H LYS A 31 0.606 12.000 8.681 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.580 9.471 9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.301 10.236 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.708 9.860 11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.201 12.084 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.288 12.706 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.460 11.189 12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.903 12.829 13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.307 13.450 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.053 11.875 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.245 12.569 13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.935 13.372 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.839 14.144 12.557 1.00 0.00 H new ATOM 479 N GLY A 32 -2.781 10.441 8.075 1.00 0.00 N ATOM 480 CA GLY A 32 -3.788 10.964 7.171 1.00 0.00 C ATOM 481 C GLY A 32 -4.516 9.868 6.418 1.00 0.00 C ATOM 482 O GLY A 32 -4.567 8.723 6.868 1.00 0.00 O ATOM 0 H GLY A 32 -2.973 9.506 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.510 11.553 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.316 11.639 6.457 1.00 0.00 H new ATOM 486 N THR A 33 -5.082 10.218 5.267 1.00 0.00 N ATOM 487 CA THR A 33 -5.813 9.256 4.451 1.00 0.00 C ATOM 488 C THR A 33 -5.014 8.866 3.214 1.00 0.00 C ATOM 489 O THR A 33 -3.979 9.463 2.916 1.00 0.00 O ATOM 490 CB THR A 33 -7.179 9.816 4.011 1.00 0.00 C ATOM 491 OG1 THR A 33 -7.035 11.173 3.577 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.185 9.747 5.150 1.00 0.00 C ATOM 0 H THR A 33 -5.048 11.161 4.879 1.00 0.00 H new ATOM 0 HA THR A 33 -5.973 8.373 5.070 1.00 0.00 H new ATOM 0 HB THR A 33 -7.547 9.207 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.728 11.380 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.142 10.148 4.815 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.314 8.710 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.821 10.334 5.993 1.00 0.00 H new ATOM 500 N PHE A 34 -5.500 7.860 2.494 1.00 0.00 N ATOM 501 CA PHE A 34 -4.830 7.389 1.287 1.00 0.00 C ATOM 502 C PHE A 34 -5.744 6.471 0.481 1.00 0.00 C ATOM 503 O PHE A 34 -6.840 6.127 0.922 1.00 0.00 O ATOM 504 CB PHE A 34 -3.540 6.651 1.650 1.00 0.00 C ATOM 505 CG PHE A 34 -3.750 5.506 2.598 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.262 5.725 3.867 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.435 4.210 2.221 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.458 4.673 4.742 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.628 3.154 3.092 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.139 3.386 4.354 1.00 0.00 C ATOM 0 H PHE A 34 -6.356 7.355 2.725 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.585 8.257 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.076 6.276 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.840 7.358 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.511 6.729 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.034 4.023 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.860 4.857 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.379 2.149 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.289 2.563 5.037 1.00 0.00 H new ATOM 520 N GLN A 35 -5.285 6.081 -0.704 1.00 0.00 N ATOM 521 CA GLN A 35 -6.061 5.205 -1.573 1.00 0.00 C ATOM 522 C GLN A 35 -5.155 4.218 -2.302 1.00 0.00 C ATOM 523 O GLN A 35 -4.373 4.605 -3.171 1.00 0.00 O ATOM 524 CB GLN A 35 -6.856 6.030 -2.586 1.00 0.00 C ATOM 525 CG GLN A 35 -6.004 7.018 -3.368 1.00 0.00 C ATOM 526 CD GLN A 35 -6.820 7.859 -4.330 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.640 9.074 -4.416 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.724 7.215 -5.059 1.00 0.00 N ATOM 0 H GLN A 35 -4.380 6.358 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.755 4.640 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.349 5.355 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.641 6.575 -2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.482 7.674 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.241 6.473 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.839 6.207 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.303 7.728 -5.723 1.00 0.00 H new ATOM 537 N ILE A 36 -5.265 2.944 -1.941 1.00 0.00 N ATOM 538 CA ILE A 36 -4.455 1.903 -2.562 1.00 0.00 C ATOM 539 C ILE A 36 -5.089 1.415 -3.861 1.00 0.00 C ATOM 540 O ILE A 36 -6.306 1.252 -3.948 1.00 0.00 O ATOM 541 CB ILE A 36 -4.260 0.703 -1.617 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.493 1.131 -0.364 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.529 -0.423 -2.333 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.569 0.128 0.765 1.00 0.00 C ATOM 0 H ILE A 36 -5.906 2.608 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.483 2.346 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.241 0.337 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.447 1.292 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.886 2.087 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.399 -1.264 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.111 -0.743 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.552 -0.070 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.003 0.498 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.610 -0.016 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.149 -0.823 0.436 1.00 0.00 H new ATOM 556 N VAL A 37 -4.254 1.181 -4.869 1.00 0.00 N ATOM 557 CA VAL A 37 -4.731 0.709 -6.163 1.00 0.00 C ATOM 558 C VAL A 37 -3.787 -0.334 -6.749 1.00 0.00 C ATOM 559 O VAL A 37 -2.577 -0.119 -6.825 1.00 0.00 O ATOM 560 CB VAL A 37 -4.882 1.870 -7.163 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.337 1.351 -8.519 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.853 2.911 -6.629 1.00 0.00 C ATOM 0 H VAL A 37 -3.244 1.311 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.708 0.256 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.909 2.345 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.438 2.186 -9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.601 0.646 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.299 0.849 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.947 3.724 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.829 2.451 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.480 3.305 -5.684 1.00 0.00 H new ATOM 572 N TYR A 38 -4.347 -1.465 -7.164 1.00 0.00 N ATOM 573 CA TYR A 38 -3.554 -2.543 -7.743 1.00 0.00 C ATOM 574 C TYR A 38 -3.505 -2.427 -9.264 1.00 0.00 C ATOM 575 O TYR A 38 -4.452 -2.798 -9.958 1.00 0.00 O ATOM 576 CB TYR A 38 -4.133 -3.901 -7.343 1.00 0.00 C ATOM 577 CG TYR A 38 -3.458 -5.071 -8.022 1.00 0.00 C ATOM 578 CD1 TYR A 38 -3.894 -5.526 -9.261 1.00 0.00 C ATOM 579 CD2 TYR A 38 -2.386 -5.722 -7.425 1.00 0.00 C ATOM 580 CE1 TYR A 38 -3.281 -6.595 -9.885 1.00 0.00 C ATOM 581 CE2 TYR A 38 -1.766 -6.791 -8.043 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.217 -7.224 -9.272 1.00 0.00 C ATOM 583 OH TYR A 38 -1.603 -8.289 -9.890 1.00 0.00 O ATOM 0 H TYR A 38 -5.347 -1.659 -7.110 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.538 -2.460 -7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.047 -4.019 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.196 -3.918 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.726 -5.035 -9.744 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.031 -5.387 -6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.633 -6.937 -10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.932 -7.285 -7.566 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.872 -8.617 -9.326 1.00 0.00 H new ATOM 593 N LYS A 39 -2.393 -1.910 -9.775 1.00 0.00 N ATOM 594 CA LYS A 39 -2.216 -1.746 -11.213 1.00 0.00 C ATOM 595 C LYS A 39 -1.191 -2.739 -11.752 1.00 0.00 C ATOM 596 O LYS A 39 -0.049 -2.777 -11.294 1.00 0.00 O ATOM 597 CB LYS A 39 -1.773 -0.317 -11.533 1.00 0.00 C ATOM 598 CG LYS A 39 -2.872 0.716 -11.350 1.00 0.00 C ATOM 599 CD LYS A 39 -2.301 2.114 -11.183 1.00 0.00 C ATOM 600 CE LYS A 39 -1.990 2.753 -12.528 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.068 3.913 -12.391 1.00 0.00 N ATOM 0 H LYS A 39 -1.600 -1.597 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.174 -1.940 -11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.930 -0.055 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.417 -0.278 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.539 0.695 -12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.471 0.460 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.012 2.736 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.393 2.068 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.543 2.010 -13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.918 3.080 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.881 4.320 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.505 4.634 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.173 3.597 -11.966 1.00 0.00 H new ATOM 615 N SER A 40 -1.607 -3.541 -12.727 1.00 0.00 N ATOM 616 CA SER A 40 -0.725 -4.536 -13.327 1.00 0.00 C ATOM 617 C SER A 40 -0.889 -4.564 -14.843 1.00 0.00 C ATOM 618 O SER A 40 -2.005 -4.501 -15.359 1.00 0.00 O ATOM 619 CB SER A 40 -1.015 -5.921 -12.746 1.00 0.00 C ATOM 620 OG SER A 40 -0.352 -6.933 -13.484 1.00 0.00 O ATOM 0 H SER A 40 -2.549 -3.521 -13.118 1.00 0.00 H new ATOM 0 HA SER A 40 0.304 -4.260 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.694 -5.956 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.089 -6.105 -12.755 1.00 0.00 H new ATOM 0 HG SER A 40 0.138 -7.518 -12.869 1.00 0.00 H new ATOM 626 N ARG A 41 0.231 -4.658 -15.552 1.00 0.00 N ATOM 627 CA ARG A 41 0.213 -4.693 -17.009 1.00 0.00 C ATOM 628 C ARG A 41 0.929 -5.934 -17.532 1.00 0.00 C ATOM 629 O ARG A 41 0.318 -6.796 -18.162 1.00 0.00 O ATOM 630 CB ARG A 41 0.870 -3.434 -17.579 1.00 0.00 C ATOM 631 CG ARG A 41 0.617 -3.234 -19.064 1.00 0.00 C ATOM 632 CD ARG A 41 -0.732 -2.577 -19.316 1.00 0.00 C ATOM 633 NE ARG A 41 -0.781 -1.212 -18.797 1.00 0.00 N ATOM 634 CZ ARG A 41 -0.128 -0.194 -19.346 1.00 0.00 C ATOM 635 NH1 ARG A 41 0.620 -0.385 -20.424 1.00 0.00 N ATOM 636 NH2 ARG A 41 -0.223 1.019 -18.816 1.00 0.00 N ATOM 0 H ARG A 41 1.163 -4.711 -15.141 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.827 -4.731 -17.333 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.501 -2.564 -17.036 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.945 -3.485 -17.406 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.409 -2.617 -19.489 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.655 -4.197 -19.574 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.935 -2.565 -20.387 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.518 -3.171 -18.849 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.347 -1.031 -17.968 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.695 -1.316 -20.834 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.120 0.399 -20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.798 1.170 -17.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.279 1.801 -19.238 1.00 0.00 H new ATOM 650 N ASN A 42 2.229 -6.017 -17.267 1.00 0.00 N ATOM 651 CA ASN A 42 3.029 -7.153 -17.712 1.00 0.00 C ATOM 652 C ASN A 42 2.360 -8.471 -17.334 1.00 0.00 C ATOM 653 O ASN A 42 1.885 -9.207 -18.198 1.00 0.00 O ATOM 654 CB ASN A 42 4.430 -7.086 -17.102 1.00 0.00 C ATOM 655 CG ASN A 42 5.351 -6.155 -17.867 1.00 0.00 C ATOM 656 OD1 ASN A 42 5.759 -6.453 -18.990 1.00 0.00 O ATOM 657 ND2 ASN A 42 5.682 -5.021 -17.262 1.00 0.00 N ATOM 0 H ASN A 42 2.751 -5.312 -16.747 1.00 0.00 H new ATOM 0 HA ASN A 42 3.110 -7.106 -18.798 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.357 -6.751 -16.067 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.863 -8.086 -17.083 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.298 -4.355 -17.728 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.320 -4.815 -16.331 1.00 0.00 H new ATOM 664 N ASN A 43 2.326 -8.761 -16.038 1.00 0.00 N ATOM 665 CA ASN A 43 1.715 -9.990 -15.545 1.00 0.00 C ATOM 666 C ASN A 43 1.465 -9.909 -14.042 1.00 0.00 C ATOM 667 O ASN A 43 2.140 -9.166 -13.330 1.00 0.00 O ATOM 668 CB ASN A 43 2.609 -11.191 -15.861 1.00 0.00 C ATOM 669 CG ASN A 43 2.601 -11.546 -17.335 1.00 0.00 C ATOM 670 OD1 ASN A 43 1.506 -12.142 -17.794 1.00 0.00 O flip ATOM 671 ND2 ASN A 43 3.567 -11.287 -18.053 1.00 0.00 N flip ATOM 0 H ASN A 43 2.714 -8.162 -15.310 1.00 0.00 H new ATOM 0 HA ASN A 43 0.756 -10.117 -16.048 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.630 -10.973 -15.548 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.275 -12.051 -15.281 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.388 -10.828 -17.658 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.547 -11.531 -19.043 1.00 0.00 H new ATOM 678 N SER A 44 0.492 -10.680 -13.567 1.00 0.00 N ATOM 679 CA SER A 44 0.151 -10.694 -12.149 1.00 0.00 C ATOM 680 C SER A 44 0.278 -12.101 -11.574 1.00 0.00 C ATOM 681 O SER A 44 1.196 -12.390 -10.806 1.00 0.00 O ATOM 682 CB SER A 44 -1.272 -10.171 -11.941 1.00 0.00 C ATOM 683 OG SER A 44 -2.198 -10.877 -12.748 1.00 0.00 O ATOM 0 H SER A 44 -0.074 -11.303 -14.143 1.00 0.00 H new ATOM 0 HA SER A 44 0.850 -10.042 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.550 -10.271 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.311 -9.109 -12.182 1.00 0.00 H new ATOM 0 HG SER A 44 -3.100 -10.525 -12.595 1.00 0.00 H new ATOM 689 N HIS A 45 -0.652 -12.974 -11.950 1.00 0.00 N ATOM 690 CA HIS A 45 -0.645 -14.352 -11.473 1.00 0.00 C ATOM 691 C HIS A 45 -0.809 -14.402 -9.957 1.00 0.00 C ATOM 692 O HIS A 45 -0.314 -15.317 -9.298 1.00 0.00 O ATOM 693 CB HIS A 45 0.654 -15.048 -11.880 1.00 0.00 C ATOM 694 CG HIS A 45 0.927 -14.995 -13.351 1.00 0.00 C ATOM 695 ND1 HIS A 45 1.080 -13.939 -14.185 1.00 0.00 N flip ATOM 696 CD2 HIS A 45 1.071 -16.122 -14.132 1.00 0.00 C flip ATOM 697 CE1 HIS A 45 1.313 -14.444 -15.441 1.00 0.00 C flip ATOM 698 NE2 HIS A 45 1.303 -15.763 -15.382 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.420 -12.751 -12.584 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.486 -14.873 -11.930 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.486 -14.587 -11.348 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.612 -16.090 -11.564 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.004 -17.140 -13.777 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.478 -13.857 -16.333 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.449 -16.397 -16.168 1.00 0.00 H new ATOM 706 N VAL A 46 -1.507 -13.412 -9.409 1.00 0.00 N ATOM 707 CA VAL A 46 -1.737 -13.343 -7.971 1.00 0.00 C ATOM 708 C VAL A 46 -2.901 -12.415 -7.644 1.00 0.00 C ATOM 709 O VAL A 46 -3.019 -11.329 -8.209 1.00 0.00 O ATOM 710 CB VAL A 46 -0.481 -12.856 -7.224 1.00 0.00 C ATOM 711 CG1 VAL A 46 -0.069 -11.477 -7.715 1.00 0.00 C ATOM 712 CG2 VAL A 46 -0.725 -12.845 -5.722 1.00 0.00 C ATOM 0 H VAL A 46 -1.923 -12.647 -9.940 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.978 -14.353 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 46 0.335 -13.548 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.820 -11.149 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.149 -11.521 -8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.881 -10.771 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.173 -12.498 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.555 -12.176 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.968 -13.853 -5.386 1.00 0.00 H new ATOM 722 N ASN A 47 -3.759 -12.851 -6.727 1.00 0.00 N ATOM 723 CA ASN A 47 -4.915 -12.058 -6.324 1.00 0.00 C ATOM 724 C ASN A 47 -4.501 -10.635 -5.965 1.00 0.00 C ATOM 725 O ASN A 47 -3.453 -10.418 -5.356 1.00 0.00 O ATOM 726 CB ASN A 47 -5.619 -12.713 -5.134 1.00 0.00 C ATOM 727 CG ASN A 47 -6.427 -13.931 -5.538 1.00 0.00 C ATOM 728 OD1 ASN A 47 -6.732 -14.125 -6.715 1.00 0.00 O ATOM 729 ND2 ASN A 47 -6.778 -14.759 -4.561 1.00 0.00 N ATOM 0 H ASN A 47 -3.676 -13.748 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.605 -12.014 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.876 -13.003 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.277 -11.985 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.322 -15.595 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.503 -14.559 -3.599 1.00 0.00 H new ATOM 736 N ARG A 48 -5.330 -9.669 -6.345 1.00 0.00 N ATOM 737 CA ARG A 48 -5.050 -8.266 -6.063 1.00 0.00 C ATOM 738 C ARG A 48 -5.703 -7.834 -4.754 1.00 0.00 C ATOM 739 O ARG A 48 -5.214 -6.932 -4.074 1.00 0.00 O ATOM 740 CB ARG A 48 -5.548 -7.384 -7.210 1.00 0.00 C ATOM 741 CG ARG A 48 -7.047 -7.476 -7.442 1.00 0.00 C ATOM 742 CD ARG A 48 -7.486 -6.598 -8.604 1.00 0.00 C ATOM 743 NE ARG A 48 -7.750 -5.225 -8.183 1.00 0.00 N ATOM 744 CZ ARG A 48 -8.856 -4.850 -7.550 1.00 0.00 C ATOM 745 NH1 ARG A 48 -9.795 -5.741 -7.266 1.00 0.00 N ATOM 746 NH2 ARG A 48 -9.023 -3.581 -7.200 1.00 0.00 N ATOM 0 H ARG A 48 -6.202 -9.832 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.971 -8.149 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.284 -6.347 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.029 -7.666 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.322 -8.511 -7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.575 -7.175 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.712 -6.599 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.385 -7.018 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.047 -4.515 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.669 -6.717 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.643 -5.451 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.302 -2.893 -7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.872 -3.294 -6.714 1.00 0.00 H new ATOM 760 N GLU A 49 -6.811 -8.482 -4.408 1.00 0.00 N ATOM 761 CA GLU A 49 -7.531 -8.163 -3.181 1.00 0.00 C ATOM 762 C GLU A 49 -6.636 -8.353 -1.960 1.00 0.00 C ATOM 763 O GLU A 49 -6.560 -7.483 -1.093 1.00 0.00 O ATOM 764 CB GLU A 49 -8.779 -9.039 -3.054 1.00 0.00 C ATOM 765 CG GLU A 49 -9.764 -8.865 -4.198 1.00 0.00 C ATOM 766 CD GLU A 49 -10.618 -10.098 -4.425 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.276 -10.549 -3.464 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.627 -10.611 -5.563 1.00 0.00 O ATOM 0 H GLU A 49 -7.229 -9.231 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.833 -7.117 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.475 -10.085 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.281 -8.807 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.411 -8.013 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.217 -8.633 -5.112 1.00 0.00 H new ATOM 775 N GLU A 50 -5.961 -9.497 -1.900 1.00 0.00 N ATOM 776 CA GLU A 50 -5.073 -9.801 -0.785 1.00 0.00 C ATOM 777 C GLU A 50 -3.984 -8.741 -0.651 1.00 0.00 C ATOM 778 O GLU A 50 -3.710 -8.251 0.444 1.00 0.00 O ATOM 779 CB GLU A 50 -4.437 -11.181 -0.972 1.00 0.00 C ATOM 780 CG GLU A 50 -3.791 -11.373 -2.334 1.00 0.00 C ATOM 781 CD GLU A 50 -3.213 -12.763 -2.514 1.00 0.00 C ATOM 782 OE1 GLU A 50 -3.866 -13.738 -2.086 1.00 0.00 O ATOM 783 OE2 GLU A 50 -2.107 -12.876 -3.084 1.00 0.00 O ATOM 0 H GLU A 50 -6.013 -10.227 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.667 -9.803 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.685 -11.333 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.200 -11.946 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.531 -11.188 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.000 -10.635 -2.464 1.00 0.00 H new ATOM 790 N VAL A 51 -3.366 -8.391 -1.775 1.00 0.00 N ATOM 791 CA VAL A 51 -2.307 -7.389 -1.785 1.00 0.00 C ATOM 792 C VAL A 51 -2.820 -6.043 -1.286 1.00 0.00 C ATOM 793 O VAL A 51 -2.211 -5.419 -0.417 1.00 0.00 O ATOM 794 CB VAL A 51 -1.716 -7.211 -3.196 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.774 -6.017 -3.234 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.001 -8.479 -3.638 1.00 0.00 C ATOM 0 H VAL A 51 -3.581 -8.787 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.525 -7.747 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.533 -7.021 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.366 -5.907 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.321 -5.114 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.041 -6.174 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.590 -8.335 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.193 -8.703 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.708 -9.309 -3.652 1.00 0.00 H new ATOM 806 N ILE A 52 -3.943 -5.601 -1.843 1.00 0.00 N ATOM 807 CA ILE A 52 -4.539 -4.329 -1.453 1.00 0.00 C ATOM 808 C ILE A 52 -4.996 -4.359 0.001 1.00 0.00 C ATOM 809 O ILE A 52 -4.377 -3.743 0.869 1.00 0.00 O ATOM 810 CB ILE A 52 -5.739 -3.972 -2.349 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.281 -3.767 -3.795 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.438 -2.726 -1.827 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.417 -3.768 -4.795 1.00 0.00 C ATOM 0 H ILE A 52 -4.458 -6.105 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.767 -3.569 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.449 -4.799 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.745 -2.821 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.575 -4.554 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.284 -2.487 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.794 -2.906 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.738 -1.891 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.019 -3.618 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.939 -4.724 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.112 -2.963 -4.557 1.00 0.00 H new ATOM 825 N ARG A 53 -6.082 -5.079 0.260 1.00 0.00 N ATOM 826 CA ARG A 53 -6.622 -5.190 1.610 1.00 0.00 C ATOM 827 C ARG A 53 -5.499 -5.239 2.642 1.00 0.00 C ATOM 828 O ARG A 53 -5.509 -4.492 3.620 1.00 0.00 O ATOM 829 CB ARG A 53 -7.496 -6.439 1.732 1.00 0.00 C ATOM 830 CG ARG A 53 -8.738 -6.401 0.858 1.00 0.00 C ATOM 831 CD ARG A 53 -9.837 -5.558 1.487 1.00 0.00 C ATOM 832 NE ARG A 53 -10.640 -6.326 2.435 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.841 -5.946 2.857 1.00 0.00 C ATOM 834 NH1 ARG A 53 -12.375 -4.815 2.417 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.510 -6.698 3.721 1.00 0.00 N ATOM 0 H ARG A 53 -6.606 -5.595 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.232 -4.308 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.903 -7.314 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.798 -6.561 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.483 -5.996 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.103 -7.416 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.392 -4.704 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.482 -5.160 0.704 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.258 -7.202 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.864 -4.234 1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.297 -4.526 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.102 -7.569 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.432 -6.406 4.045 1.00 0.00 H new ATOM 849 N GLU A 54 -4.533 -6.123 2.417 1.00 0.00 N ATOM 850 CA GLU A 54 -3.404 -6.270 3.328 1.00 0.00 C ATOM 851 C GLU A 54 -2.657 -4.949 3.486 1.00 0.00 C ATOM 852 O GLU A 54 -2.630 -4.363 4.569 1.00 0.00 O ATOM 853 CB GLU A 54 -2.448 -7.352 2.822 1.00 0.00 C ATOM 854 CG GLU A 54 -1.116 -7.379 3.553 1.00 0.00 C ATOM 855 CD GLU A 54 -1.240 -7.902 4.971 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.286 -9.138 5.144 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.291 -7.077 5.907 1.00 0.00 O ATOM 0 H GLU A 54 -4.509 -6.748 1.612 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.793 -6.567 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.928 -8.325 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.266 -7.196 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.414 -8.003 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.698 -6.373 3.576 1.00 0.00 H new ATOM 864 N LEU A 55 -2.050 -4.486 2.398 1.00 0.00 N ATOM 865 CA LEU A 55 -1.302 -3.234 2.414 1.00 0.00 C ATOM 866 C LEU A 55 -1.984 -2.202 3.307 1.00 0.00 C ATOM 867 O LEU A 55 -1.323 -1.463 4.036 1.00 0.00 O ATOM 868 CB LEU A 55 -1.161 -2.682 0.994 1.00 0.00 C ATOM 869 CG LEU A 55 0.054 -3.167 0.203 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.218 -3.094 -1.292 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.286 -2.349 0.563 1.00 0.00 C ATOM 0 H LEU A 55 -2.061 -4.959 1.494 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.311 -3.438 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.060 -2.940 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.122 -1.594 1.051 1.00 0.00 H new ATOM 0 HG LEU A 55 0.243 -4.208 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.658 -3.443 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.073 -3.723 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.434 -2.063 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.141 -2.708 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.107 -1.300 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.493 -2.453 1.628 1.00 0.00 H new ATOM 883 N ALA A 56 -3.311 -2.160 3.246 1.00 0.00 N ATOM 884 CA ALA A 56 -4.083 -1.223 4.052 1.00 0.00 C ATOM 885 C ALA A 56 -4.069 -1.623 5.523 1.00 0.00 C ATOM 886 O ALA A 56 -3.807 -0.799 6.399 1.00 0.00 O ATOM 887 CB ALA A 56 -5.513 -1.139 3.539 1.00 0.00 C ATOM 0 H ALA A 56 -3.873 -2.764 2.647 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.620 -0.240 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.078 -0.436 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.509 -0.798 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.978 -2.123 3.595 1.00 0.00 H new ATOM 893 N GLY A 57 -4.355 -2.894 5.789 1.00 0.00 N ATOM 894 CA GLY A 57 -4.371 -3.381 7.156 1.00 0.00 C ATOM 895 C GLY A 57 -3.120 -3.000 7.922 1.00 0.00 C ATOM 896 O GLY A 57 -3.160 -2.819 9.139 1.00 0.00 O ATOM 0 H GLY A 57 -4.576 -3.595 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.244 -2.981 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.474 -4.466 7.151 1.00 0.00 H new ATOM 900 N ILE A 58 -2.005 -2.878 7.209 1.00 0.00 N ATOM 901 CA ILE A 58 -0.737 -2.516 7.830 1.00 0.00 C ATOM 902 C ILE A 58 -0.712 -1.040 8.209 1.00 0.00 C ATOM 903 O ILE A 58 -0.442 -0.687 9.357 1.00 0.00 O ATOM 904 CB ILE A 58 0.452 -2.816 6.898 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.505 -4.308 6.565 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.755 -2.364 7.540 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.615 -4.675 5.606 1.00 0.00 C ATOM 0 H ILE A 58 -1.954 -3.025 6.201 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.643 -3.121 8.732 1.00 0.00 H new ATOM 0 HB ILE A 58 0.315 -2.261 5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.632 -4.873 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.450 -4.610 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.586 -2.583 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.714 -1.291 7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.900 -2.894 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.592 -5.748 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.478 -4.137 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.577 -4.405 6.042 1.00 0.00 H new ATOM 919 N VAL A 59 -0.998 -0.180 7.236 1.00 0.00 N ATOM 920 CA VAL A 59 -1.011 1.260 7.468 1.00 0.00 C ATOM 921 C VAL A 59 -1.572 1.589 8.847 1.00 0.00 C ATOM 922 O VAL A 59 -0.933 2.283 9.639 1.00 0.00 O ATOM 923 CB VAL A 59 -1.844 1.993 6.400 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.937 3.477 6.720 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.247 1.774 5.017 1.00 0.00 C ATOM 0 H VAL A 59 -1.224 -0.455 6.280 1.00 0.00 H new ATOM 0 HA VAL A 59 0.023 1.600 7.408 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.853 1.581 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.529 3.978 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.412 3.611 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.936 3.908 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.848 2.299 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.227 2.158 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.238 0.708 4.789 1.00 0.00 H new ATOM 935 N CYS A 60 -2.768 1.086 9.129 1.00 0.00 N ATOM 936 CA CYS A 60 -3.416 1.327 10.414 1.00 0.00 C ATOM 937 C CYS A 60 -2.508 0.910 11.566 1.00 0.00 C ATOM 938 O CYS A 60 -2.483 1.554 12.616 1.00 0.00 O ATOM 939 CB CYS A 60 -4.740 0.566 10.491 1.00 0.00 C ATOM 940 SG CYS A 60 -5.920 1.004 9.193 1.00 0.00 S ATOM 0 H CYS A 60 -3.309 0.509 8.486 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.614 2.395 10.499 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.536 -0.503 10.436 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.198 0.753 11.462 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.007 0.306 9.341 1.00 0.00 H new ATOM 946 N THR A 61 -1.764 -0.173 11.366 1.00 0.00 N ATOM 947 CA THR A 61 -0.857 -0.677 12.389 1.00 0.00 C ATOM 948 C THR A 61 0.172 0.377 12.779 1.00 0.00 C ATOM 949 O THR A 61 0.694 0.367 13.895 1.00 0.00 O ATOM 950 CB THR A 61 -0.122 -1.944 11.912 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.070 -2.938 11.506 1.00 0.00 O ATOM 952 CG2 THR A 61 0.764 -2.503 13.016 1.00 0.00 C ATOM 0 H THR A 61 -1.772 -0.718 10.504 1.00 0.00 H new ATOM 0 HA THR A 61 -1.466 -0.924 13.258 1.00 0.00 H new ATOM 0 HB THR A 61 0.507 -1.674 11.063 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.503 -2.656 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.273 -3.397 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.503 -1.755 13.303 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.151 -2.757 13.881 1.00 0.00 H new ATOM 960 N LEU A 62 0.461 1.286 11.855 1.00 0.00 N ATOM 961 CA LEU A 62 1.429 2.350 12.103 1.00 0.00 C ATOM 962 C LEU A 62 0.831 3.432 12.996 1.00 0.00 C ATOM 963 O LEU A 62 1.238 3.599 14.145 1.00 0.00 O ATOM 964 CB LEU A 62 1.894 2.962 10.781 1.00 0.00 C ATOM 965 CG LEU A 62 2.480 1.987 9.759 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.637 2.662 8.406 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.817 1.445 10.245 1.00 0.00 C ATOM 0 H LEU A 62 0.039 1.308 10.927 1.00 0.00 H new ATOM 0 HA LEU A 62 2.287 1.915 12.616 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.047 3.472 10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.644 3.722 11.000 1.00 0.00 H new ATOM 0 HG LEU A 62 1.790 1.151 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.055 1.953 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.663 3.000 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.306 3.518 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.220 0.753 9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.514 2.271 10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.676 0.923 11.191 1.00 0.00 H new ATOM 979 N ASN A 63 -0.140 4.165 12.459 1.00 0.00 N ATOM 980 CA ASN A 63 -0.796 5.231 13.208 1.00 0.00 C ATOM 981 C ASN A 63 -2.313 5.075 13.161 1.00 0.00 C ATOM 982 O ASN A 63 -2.913 5.066 12.087 1.00 0.00 O ATOM 983 CB ASN A 63 -0.395 6.597 12.647 1.00 0.00 C ATOM 984 CG ASN A 63 -0.410 7.683 13.706 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.061 7.547 14.741 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.309 8.770 13.448 1.00 0.00 N ATOM 0 H ASN A 63 -0.489 4.040 11.509 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.474 5.163 14.247 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.603 6.530 12.213 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.076 6.870 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.336 9.535 14.122 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.834 8.839 12.576 1.00 0.00 H new ATOM 993 N SER A 64 -2.926 4.953 14.334 1.00 0.00 N ATOM 994 CA SER A 64 -4.372 4.794 14.427 1.00 0.00 C ATOM 995 C SER A 64 -5.091 5.926 13.700 1.00 0.00 C ATOM 996 O SER A 64 -6.243 5.782 13.291 1.00 0.00 O ATOM 997 CB SER A 64 -4.809 4.755 15.893 1.00 0.00 C ATOM 998 OG SER A 64 -6.208 4.557 16.004 1.00 0.00 O ATOM 0 H SER A 64 -2.444 4.961 15.233 1.00 0.00 H new ATOM 0 HA SER A 64 -4.640 3.851 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.283 3.953 16.411 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.531 5.688 16.383 1.00 0.00 H new ATOM 0 HG SER A 64 -6.461 4.534 16.950 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.402 7.052 13.544 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.975 8.210 12.867 1.00 0.00 C ATOM 1006 C GLU A 65 -5.128 7.945 11.372 1.00 0.00 C ATOM 1007 O GLU A 65 -5.961 8.557 10.705 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.100 9.444 13.092 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.260 10.061 14.471 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.621 10.701 14.670 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.210 11.165 13.672 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -6.096 10.736 15.824 1.00 0.00 O ATOM 0 H GLU A 65 -3.447 7.187 13.877 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.963 8.394 13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.055 9.170 12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.342 10.193 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.110 9.292 15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.484 10.812 14.621 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.315 7.030 10.853 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.358 6.685 9.437 1.00 0.00 C ATOM 1021 C ASN A 66 -5.704 6.069 9.068 1.00 0.00 C ATOM 1022 O ASN A 66 -6.194 5.167 9.747 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.228 5.714 9.093 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.856 6.313 9.335 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.654 7.516 9.168 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.905 5.474 9.730 1.00 0.00 N ATOM 0 H ASN A 66 -3.619 6.515 11.392 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.228 7.601 8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.336 4.809 9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.313 5.418 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.038 5.819 9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.118 4.484 9.855 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.298 6.561 7.986 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.586 6.059 7.523 1.00 0.00 C ATOM 1035 C LYS A 67 -7.642 6.025 5.999 1.00 0.00 C ATOM 1036 O LYS A 67 -7.721 7.067 5.348 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.721 6.930 8.067 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.968 6.748 9.554 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.410 7.055 9.921 1.00 0.00 C ATOM 1040 CE LYS A 67 -10.680 6.787 11.394 1.00 0.00 C ATOM 1041 NZ LYS A 67 -9.860 7.663 12.277 1.00 0.00 N ATOM 0 H LYS A 67 -5.907 7.308 7.413 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.706 5.042 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.490 7.977 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.637 6.699 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.729 5.724 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.301 7.401 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.630 8.098 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.079 6.448 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.737 6.947 11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.465 5.742 11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.191 7.573 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.862 7.377 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.954 8.652 11.969 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.601 4.822 5.437 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.649 4.653 3.989 1.00 0.00 C ATOM 1057 C VAL A 68 -8.995 5.098 3.429 1.00 0.00 C ATOM 1058 O VAL A 68 -10.037 4.535 3.765 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.397 3.187 3.587 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.368 2.262 4.304 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.508 3.023 2.078 1.00 0.00 C ATOM 0 H VAL A 68 -7.535 3.950 5.962 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.860 5.278 3.570 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.385 2.915 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.175 1.231 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.236 2.360 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.390 2.531 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.327 1.982 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.507 3.313 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.769 3.657 1.588 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.966 6.113 2.571 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.184 6.634 1.962 1.00 0.00 C ATOM 1073 C ASP A 69 -10.052 6.687 0.443 1.00 0.00 C ATOM 1074 O ASP A 69 -8.957 6.875 -0.089 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.497 8.028 2.508 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.983 8.331 2.503 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.583 8.338 1.408 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.545 8.561 3.594 1.00 0.00 O ATOM 0 H ASP A 69 -8.112 6.591 2.282 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.004 5.961 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.116 8.111 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.975 8.775 1.910 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.173 6.520 -0.249 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.183 6.549 -1.708 1.00 0.00 C ATOM 1085 C LEU A 70 -11.971 7.748 -2.224 1.00 0.00 C ATOM 1086 O LEU A 70 -12.168 7.904 -3.430 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.782 5.254 -2.259 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.152 3.955 -1.756 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -11.968 2.755 -2.210 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.714 3.838 -2.240 1.00 0.00 C ATOM 0 H LEU A 70 -12.087 6.363 0.176 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.153 6.641 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.844 5.237 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.704 5.275 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.148 3.974 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.504 1.840 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.981 2.833 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.005 2.731 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.281 2.908 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.695 3.841 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.134 4.681 -1.865 1.00 0.00 H new ATOM 1102 N THR A 71 -12.420 8.595 -1.303 1.00 0.00 N ATOM 1103 CA THR A 71 -13.186 9.781 -1.665 1.00 0.00 C ATOM 1104 C THR A 71 -12.325 11.037 -1.590 1.00 0.00 C ATOM 1105 O THR A 71 -12.255 11.811 -2.544 1.00 0.00 O ATOM 1106 CB THR A 71 -14.412 9.959 -0.749 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.237 8.789 -0.803 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.224 11.177 -1.162 1.00 0.00 C ATOM 0 H THR A 71 -12.266 8.482 -0.301 1.00 0.00 H new ATOM 0 HA THR A 71 -13.525 9.637 -2.691 1.00 0.00 H new ATOM 0 HB THR A 71 -14.058 10.107 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.013 8.909 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.084 11.282 -0.501 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.602 12.069 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.568 11.054 -2.189 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.668 11.231 -0.451 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.810 12.394 -0.252 1.00 0.00 C ATOM 1118 C ASN A 72 -9.453 11.978 0.306 1.00 0.00 C ATOM 1119 O ASN A 72 -9.010 12.458 1.350 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.480 13.392 0.695 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.353 14.390 -0.041 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.869 15.171 -0.860 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.649 14.368 0.249 1.00 0.00 N ATOM 0 H ASN A 72 -11.713 10.598 0.348 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.655 12.871 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.086 12.850 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.714 13.928 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.286 15.016 -0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.007 13.703 0.935 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.775 11.065 -0.405 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.457 10.566 0.000 1.00 0.00 C ATOM 1132 C PRO A 73 -6.368 11.625 -0.138 1.00 0.00 C ATOM 1133 O PRO A 73 -6.390 12.432 -1.067 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.203 9.409 -0.970 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.023 9.734 -2.171 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.242 10.450 -1.659 1.00 0.00 C ATOM 0 HA PRO A 73 -7.437 10.273 1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.146 9.329 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.500 8.455 -0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.465 10.361 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.300 8.829 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.595 11.200 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.069 9.762 -1.485 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.418 11.614 0.791 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.321 12.575 0.772 1.00 0.00 C ATOM 1146 C GLN A 74 -3.111 12.005 0.040 1.00 0.00 C ATOM 1147 O GLN A 74 -2.442 12.710 -0.717 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.932 12.964 2.199 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.752 14.114 2.762 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.202 14.637 4.074 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -4.640 14.230 5.150 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -3.235 15.544 3.991 1.00 0.00 N ATOM 0 H GLN A 74 -5.385 10.951 1.566 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.659 13.464 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.047 12.095 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.877 13.238 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.779 14.926 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.780 13.784 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.902 15.853 3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.825 15.932 4.841 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.836 10.726 0.269 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.704 10.062 -0.367 1.00 0.00 C ATOM 1163 C TYR A 75 -2.163 8.840 -1.156 1.00 0.00 C ATOM 1164 O TYR A 75 -2.818 7.947 -0.618 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.673 9.646 0.684 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.243 10.777 1.590 1.00 0.00 C ATOM 1167 CD1 TYR A 75 -0.926 11.047 2.770 1.00 0.00 C ATOM 1168 CD2 TYR A 75 0.847 11.577 1.267 1.00 0.00 C ATOM 1169 CE1 TYR A 75 -0.536 12.080 3.601 1.00 0.00 C ATOM 1170 CE2 TYR A 75 1.244 12.611 2.093 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.549 12.859 3.258 1.00 0.00 C ATOM 1172 OH TYR A 75 0.941 13.888 4.082 1.00 0.00 O ATOM 0 H TYR A 75 -3.381 10.128 0.890 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.244 10.767 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.090 8.843 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.205 9.242 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.776 10.439 3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.393 11.387 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.078 12.276 4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.094 13.222 1.828 1.00 0.00 H new ATOM 0 HH TYR A 75 1.722 14.337 3.696 1.00 0.00 H new ATOM 1182 N THR A 76 -1.813 8.807 -2.439 1.00 0.00 N ATOM 1183 CA THR A 76 -2.189 7.696 -3.305 1.00 0.00 C ATOM 1184 C THR A 76 -1.064 6.671 -3.403 1.00 0.00 C ATOM 1185 O THR A 76 -0.028 6.928 -4.015 1.00 0.00 O ATOM 1186 CB THR A 76 -2.548 8.184 -4.721 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.545 9.209 -4.647 1.00 0.00 O ATOM 1188 CG2 THR A 76 -3.057 7.034 -5.577 1.00 0.00 C ATOM 0 H THR A 76 -1.270 9.537 -2.901 1.00 0.00 H new ATOM 0 HA THR A 76 -3.066 7.228 -2.857 1.00 0.00 H new ATOM 0 HB THR A 76 -1.647 8.587 -5.182 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.767 9.515 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.304 7.403 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.285 6.269 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.948 6.605 -5.118 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.276 5.507 -2.796 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.281 4.442 -2.817 1.00 0.00 C ATOM 1198 C VAL A 77 -0.628 3.386 -3.859 1.00 0.00 C ATOM 1199 O VAL A 77 -1.478 2.526 -3.629 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.155 3.765 -1.439 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.837 4.517 -0.564 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.514 3.677 -0.762 1.00 0.00 C ATOM 0 H VAL A 77 -2.128 5.278 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 77 0.672 4.904 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 77 0.219 2.752 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.913 4.025 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.815 4.524 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.495 5.542 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.406 3.196 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.919 4.680 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.193 3.092 -1.383 1.00 0.00 H new ATOM 1212 N VAL A 78 0.036 3.456 -5.009 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.201 2.505 -6.088 1.00 0.00 C ATOM 1214 C VAL A 78 0.828 1.380 -6.065 1.00 0.00 C ATOM 1215 O VAL A 78 2.009 1.610 -5.803 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.159 3.195 -7.464 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.005 4.459 -7.453 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.276 3.507 -7.860 1.00 0.00 C ATOM 0 H VAL A 78 0.742 4.162 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.195 2.088 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.576 2.514 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.963 4.933 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.038 4.203 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.621 5.148 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.287 3.994 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.722 4.169 -7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.849 2.581 -7.911 1.00 0.00 H new ATOM 1228 N VAL A 79 0.372 0.162 -6.340 1.00 0.00 N ATOM 1229 CA VAL A 79 1.253 -0.999 -6.353 1.00 0.00 C ATOM 1230 C VAL A 79 1.358 -1.595 -7.752 1.00 0.00 C ATOM 1231 O VAL A 79 0.457 -2.300 -8.206 1.00 0.00 O ATOM 1232 CB VAL A 79 0.762 -2.087 -5.379 1.00 0.00 C ATOM 1233 CG1 VAL A 79 0.809 -1.582 -3.946 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.644 -2.536 -5.749 1.00 0.00 C ATOM 0 H VAL A 79 -0.603 -0.046 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 79 2.236 -0.653 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 79 1.427 -2.947 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.459 -2.364 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.834 -1.314 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.169 -0.705 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.976 -3.305 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.323 -1.684 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.642 -2.941 -6.761 1.00 0.00 H new ATOM 1244 N GLU A 80 2.464 -1.307 -8.431 1.00 0.00 N ATOM 1245 CA GLU A 80 2.686 -1.814 -9.780 1.00 0.00 C ATOM 1246 C GLU A 80 3.526 -3.088 -9.751 1.00 0.00 C ATOM 1247 O GLU A 80 4.362 -3.272 -8.866 1.00 0.00 O ATOM 1248 CB GLU A 80 3.376 -0.754 -10.641 1.00 0.00 C ATOM 1249 CG GLU A 80 3.190 -0.966 -12.134 1.00 0.00 C ATOM 1250 CD GLU A 80 3.544 0.265 -12.946 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.145 1.199 -12.377 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.220 0.292 -14.152 1.00 0.00 O ATOM 0 H GLU A 80 3.220 -0.726 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 80 1.715 -2.049 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.989 0.229 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.442 -0.751 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.810 -1.802 -12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.154 -1.242 -12.332 1.00 0.00 H new ATOM 1259 N ILE A 81 3.296 -3.963 -10.724 1.00 0.00 N ATOM 1260 CA ILE A 81 4.032 -5.218 -10.810 1.00 0.00 C ATOM 1261 C ILE A 81 5.088 -5.163 -11.909 1.00 0.00 C ATOM 1262 O ILE A 81 4.776 -5.306 -13.091 1.00 0.00 O ATOM 1263 CB ILE A 81 3.089 -6.406 -11.080 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.954 -6.428 -10.054 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.863 -7.715 -11.050 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.436 -6.405 -8.620 1.00 0.00 C ATOM 0 H ILE A 81 2.607 -3.826 -11.463 1.00 0.00 H new ATOM 0 HA ILE A 81 4.521 -5.363 -9.847 1.00 0.00 H new ATOM 0 HB ILE A 81 2.654 -6.287 -12.072 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.304 -5.570 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.350 -7.321 -10.212 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.183 -8.545 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.639 -7.697 -11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.323 -7.843 -10.070 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.578 -6.422 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.062 -7.277 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.016 -5.499 -8.445 1.00 0.00 H new ATOM 1278 N ILE A 82 6.338 -4.955 -11.510 1.00 0.00 N ATOM 1279 CA ILE A 82 7.441 -4.884 -12.461 1.00 0.00 C ATOM 1280 C ILE A 82 8.503 -5.933 -12.151 1.00 0.00 C ATOM 1281 O ILE A 82 8.992 -6.024 -11.024 1.00 0.00 O ATOM 1282 CB ILE A 82 8.096 -3.490 -12.459 1.00 0.00 C ATOM 1283 CG1 ILE A 82 7.092 -2.430 -12.917 1.00 0.00 C ATOM 1284 CG2 ILE A 82 9.327 -3.482 -13.353 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.261 -1.857 -11.790 1.00 0.00 C ATOM 0 H ILE A 82 6.613 -4.833 -10.535 1.00 0.00 H new ATOM 0 HA ILE A 82 7.020 -5.078 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 82 8.408 -3.253 -11.442 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.630 -1.620 -13.409 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.427 -2.869 -13.661 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.779 -2.490 -13.341 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.047 -4.213 -12.987 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.038 -3.737 -14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.572 -1.112 -12.188 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.695 -2.657 -11.312 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.917 -1.389 -11.056 1.00 0.00 H new ATOM 1297 N LYS A 83 8.858 -6.723 -13.158 1.00 0.00 N ATOM 1298 CA LYS A 83 9.865 -7.765 -12.996 1.00 0.00 C ATOM 1299 C LYS A 83 9.456 -8.752 -11.908 1.00 0.00 C ATOM 1300 O LYS A 83 10.300 -9.268 -11.175 1.00 0.00 O ATOM 1301 CB LYS A 83 11.221 -7.143 -12.651 1.00 0.00 C ATOM 1302 CG LYS A 83 11.948 -6.565 -13.853 1.00 0.00 C ATOM 1303 CD LYS A 83 13.447 -6.492 -13.616 1.00 0.00 C ATOM 1304 CE LYS A 83 13.811 -5.327 -12.709 1.00 0.00 C ATOM 1305 NZ LYS A 83 15.207 -4.861 -12.938 1.00 0.00 N ATOM 0 H LYS A 83 8.463 -6.662 -14.096 1.00 0.00 H new ATOM 0 HA LYS A 83 9.949 -8.305 -13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.073 -6.355 -11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.851 -7.901 -12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.747 -7.179 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.564 -5.568 -14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.792 -7.424 -13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.963 -6.387 -14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.120 -4.502 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.695 -5.627 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.417 -4.066 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.869 -5.641 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.312 -4.550 -13.925 1.00 0.00 H new ATOM 1319 N ALA A 84 8.156 -9.012 -11.810 1.00 0.00 N ATOM 1320 CA ALA A 84 7.636 -9.941 -10.814 1.00 0.00 C ATOM 1321 C ALA A 84 7.937 -9.455 -9.400 1.00 0.00 C ATOM 1322 O ALA A 84 8.039 -10.251 -8.467 1.00 0.00 O ATOM 1323 CB ALA A 84 8.219 -11.329 -11.031 1.00 0.00 C ATOM 0 H ALA A 84 7.444 -8.592 -12.408 1.00 0.00 H new ATOM 0 HA ALA A 84 6.553 -9.991 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.822 -12.012 -10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.949 -11.686 -12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.305 -11.285 -10.944 1.00 0.00 H new ATOM 1329 N VAL A 85 8.078 -8.142 -9.248 1.00 0.00 N ATOM 1330 CA VAL A 85 8.367 -7.549 -7.948 1.00 0.00 C ATOM 1331 C VAL A 85 7.359 -6.458 -7.605 1.00 0.00 C ATOM 1332 O VAL A 85 6.932 -5.698 -8.474 1.00 0.00 O ATOM 1333 CB VAL A 85 9.786 -6.952 -7.905 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.875 -5.859 -6.851 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.815 -8.043 -7.642 1.00 0.00 C ATOM 0 H VAL A 85 7.997 -7.469 -10.010 1.00 0.00 H new ATOM 0 HA VAL A 85 8.296 -8.351 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 85 10.003 -6.505 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.885 -5.450 -6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.166 -5.066 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.638 -6.277 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.812 -7.604 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.603 -8.520 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.768 -8.787 -8.437 1.00 0.00 H new ATOM 1345 N CYS A 86 6.983 -6.387 -6.333 1.00 0.00 N ATOM 1346 CA CYS A 86 6.023 -5.389 -5.874 1.00 0.00 C ATOM 1347 C CYS A 86 6.654 -4.000 -5.847 1.00 0.00 C ATOM 1348 O CYS A 86 7.600 -3.752 -5.099 1.00 0.00 O ATOM 1349 CB CYS A 86 5.503 -5.752 -4.482 1.00 0.00 C ATOM 1350 SG CYS A 86 3.978 -4.900 -4.018 1.00 0.00 S ATOM 0 H CYS A 86 7.328 -7.008 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 86 5.188 -5.376 -6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.333 -6.828 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.274 -5.521 -3.746 1.00 0.00 H new ATOM 0 HG CYS A 86 3.479 -5.453 -2.952 1.00 0.00 H new ATOM 1356 N CYS A 87 6.126 -3.101 -6.670 1.00 0.00 N ATOM 1357 CA CYS A 87 6.639 -1.737 -6.743 1.00 0.00 C ATOM 1358 C CYS A 87 5.615 -0.742 -6.207 1.00 0.00 C ATOM 1359 O CYS A 87 4.606 -0.463 -6.855 1.00 0.00 O ATOM 1360 CB CYS A 87 7.005 -1.384 -8.185 1.00 0.00 C ATOM 1361 SG CYS A 87 8.710 -1.786 -8.633 1.00 0.00 S ATOM 0 H CYS A 87 5.343 -3.291 -7.296 1.00 0.00 H new ATOM 0 HA CYS A 87 7.534 -1.678 -6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.330 -1.911 -8.859 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.842 -0.317 -8.339 1.00 0.00 H new ATOM 0 HG CYS A 87 8.923 -1.453 -9.871 1.00 0.00 H new ATOM 1367 N LEU A 88 5.880 -0.210 -5.019 1.00 0.00 N ATOM 1368 CA LEU A 88 4.982 0.754 -4.394 1.00 0.00 C ATOM 1369 C LEU A 88 5.368 2.181 -4.768 1.00 0.00 C ATOM 1370 O LEU A 88 6.509 2.598 -4.573 1.00 0.00 O ATOM 1371 CB LEU A 88 5.004 0.590 -2.873 1.00 0.00 C ATOM 1372 CG LEU A 88 4.167 -0.559 -2.309 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.885 -1.886 -2.501 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.861 -0.324 -0.837 1.00 0.00 C ATOM 0 H LEU A 88 6.710 -0.430 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 88 3.973 0.563 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.038 0.448 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.658 1.520 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 88 3.224 -0.597 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.275 -2.692 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.052 -2.059 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.844 -1.859 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.265 -1.152 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.794 -0.258 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.305 0.607 -0.725 1.00 0.00 H new ATOM 1386 N SER A 89 4.408 2.927 -5.306 1.00 0.00 N ATOM 1387 CA SER A 89 4.648 4.307 -5.710 1.00 0.00 C ATOM 1388 C SER A 89 3.709 5.259 -4.975 1.00 0.00 C ATOM 1389 O SER A 89 2.487 5.131 -5.056 1.00 0.00 O ATOM 1390 CB SER A 89 4.464 4.458 -7.221 1.00 0.00 C ATOM 1391 OG SER A 89 5.668 4.170 -7.912 1.00 0.00 O ATOM 0 H SER A 89 3.457 2.598 -5.472 1.00 0.00 H new ATOM 0 HA SER A 89 5.675 4.563 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.675 3.788 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.142 5.474 -7.452 1.00 0.00 H new ATOM 0 HG SER A 89 5.524 4.272 -8.876 1.00 0.00 H new ATOM 1397 N VAL A 90 4.289 6.216 -4.257 1.00 0.00 N ATOM 1398 CA VAL A 90 3.506 7.191 -3.507 1.00 0.00 C ATOM 1399 C VAL A 90 3.292 8.464 -4.319 1.00 0.00 C ATOM 1400 O VAL A 90 4.220 8.979 -4.942 1.00 0.00 O ATOM 1401 CB VAL A 90 4.187 7.553 -2.175 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.315 8.506 -1.370 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.496 6.296 -1.375 1.00 0.00 C ATOM 0 H VAL A 90 5.299 6.337 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 90 2.541 6.729 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 90 5.128 8.057 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.813 8.750 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.150 9.419 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.356 8.032 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.977 6.571 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.570 5.762 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.163 5.654 -1.950 1.00 0.00 H new ATOM 1413 N VAL A 91 2.061 8.967 -4.306 1.00 0.00 N ATOM 1414 CA VAL A 91 1.724 10.181 -5.040 1.00 0.00 C ATOM 1415 C VAL A 91 0.875 11.119 -4.189 1.00 0.00 C ATOM 1416 O VAL A 91 -0.276 10.818 -3.874 1.00 0.00 O ATOM 1417 CB VAL A 91 0.966 9.859 -6.341 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.700 11.130 -7.133 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.746 8.854 -7.176 1.00 0.00 C ATOM 0 H VAL A 91 1.281 8.553 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 91 2.665 10.672 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 91 0.005 9.414 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.164 10.882 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.098 11.813 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.647 11.607 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.196 8.637 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.722 9.270 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.880 7.934 -6.607 1.00 0.00 H new ATOM 1429 N LYS A 92 1.451 12.258 -3.821 1.00 0.00 N ATOM 1430 CA LYS A 92 0.747 13.243 -3.007 1.00 0.00 C ATOM 1431 C LYS A 92 -0.144 14.127 -3.874 1.00 0.00 C ATOM 1432 O LYS A 92 0.345 14.908 -4.690 1.00 0.00 O ATOM 1433 CB LYS A 92 1.748 14.109 -2.238 1.00 0.00 C ATOM 1434 CG LYS A 92 1.136 14.844 -1.059 1.00 0.00 C ATOM 1435 CD LYS A 92 2.188 15.605 -0.270 1.00 0.00 C ATOM 1436 CE LYS A 92 1.608 16.197 1.006 1.00 0.00 C ATOM 1437 NZ LYS A 92 0.532 17.186 0.720 1.00 0.00 N ATOM 0 H LYS A 92 2.403 12.522 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 92 0.118 12.707 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.561 13.478 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.186 14.837 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.375 15.538 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.634 14.131 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.012 14.936 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.601 16.403 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.209 15.396 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.402 16.679 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.233 17.640 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.890 17.909 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.280 16.700 0.289 1.00 0.00 H new ATOM 1451 N SER A 93 -1.454 14.000 -3.689 1.00 0.00 N ATOM 1452 CA SER A 93 -2.414 14.786 -4.456 1.00 0.00 C ATOM 1453 C SER A 93 -3.458 15.414 -3.538 1.00 0.00 C ATOM 1454 O SER A 93 -4.069 14.733 -2.715 1.00 0.00 O ATOM 1455 CB SER A 93 -3.102 13.908 -5.504 1.00 0.00 C ATOM 1456 OG SER A 93 -3.992 14.670 -6.301 1.00 0.00 O ATOM 0 H SER A 93 -1.875 13.361 -3.015 1.00 0.00 H new ATOM 0 HA SER A 93 -1.871 15.585 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.351 13.438 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.648 13.105 -5.009 1.00 0.00 H new ATOM 0 HG SER A 93 -4.418 14.087 -6.964 1.00 0.00 H new ATOM 1462 N GLY A 94 -3.657 16.721 -3.686 1.00 0.00 N ATOM 1463 CA GLY A 94 -4.627 17.421 -2.864 1.00 0.00 C ATOM 1464 C GLY A 94 -4.640 18.914 -3.128 1.00 0.00 C ATOM 1465 O GLY A 94 -3.921 19.685 -2.493 1.00 0.00 O ATOM 0 H GLY A 94 -3.164 17.307 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.620 17.013 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.403 17.243 -1.812 1.00 0.00 H new ATOM 1469 N PRO A 95 -5.474 19.341 -4.088 1.00 0.00 N ATOM 1470 CA PRO A 95 -5.597 20.754 -4.458 1.00 0.00 C ATOM 1471 C PRO A 95 -6.271 21.582 -3.369 1.00 0.00 C ATOM 1472 O PRO A 95 -7.466 21.435 -3.114 1.00 0.00 O ATOM 1473 CB PRO A 95 -6.468 20.717 -5.717 1.00 0.00 C ATOM 1474 CG PRO A 95 -7.254 19.457 -5.596 1.00 0.00 C ATOM 1475 CD PRO A 95 -6.360 18.478 -4.887 1.00 0.00 C ATOM 0 HA PRO A 95 -4.624 21.221 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.121 21.588 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.858 20.718 -6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.174 19.623 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.543 19.082 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.931 17.796 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.796 17.866 -5.591 1.00 0.00 H new ATOM 1483 N SER A 96 -5.496 22.452 -2.729 1.00 0.00 N ATOM 1484 CA SER A 96 -6.018 23.301 -1.664 1.00 0.00 C ATOM 1485 C SER A 96 -7.428 23.781 -1.994 1.00 0.00 C ATOM 1486 O SER A 96 -8.383 23.476 -1.278 1.00 0.00 O ATOM 1487 CB SER A 96 -5.097 24.502 -1.443 1.00 0.00 C ATOM 1488 OG SER A 96 -5.318 25.088 -0.172 1.00 0.00 O ATOM 0 H SER A 96 -4.505 22.587 -2.929 1.00 0.00 H new ATOM 0 HA SER A 96 -6.059 22.710 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.057 24.186 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.268 25.244 -2.223 1.00 0.00 H new ATOM 0 HG SER A 96 -4.716 25.852 -0.055 1.00 0.00 H new ATOM 1494 N SER A 97 -7.551 24.534 -3.082 1.00 0.00 N ATOM 1495 CA SER A 97 -8.843 25.060 -3.506 1.00 0.00 C ATOM 1496 C SER A 97 -8.788 25.536 -4.954 1.00 0.00 C ATOM 1497 O SER A 97 -7.711 25.768 -5.502 1.00 0.00 O ATOM 1498 CB SER A 97 -9.272 26.212 -2.595 1.00 0.00 C ATOM 1499 OG SER A 97 -8.410 27.327 -2.742 1.00 0.00 O ATOM 0 H SER A 97 -6.771 24.794 -3.686 1.00 0.00 H new ATOM 0 HA SER A 97 -9.576 24.256 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.295 26.505 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.268 25.880 -1.557 1.00 0.00 H new ATOM 0 HG SER A 97 -8.707 28.050 -2.151 1.00 0.00 H new ATOM 1505 N GLY A 98 -9.958 25.679 -5.569 1.00 0.00 N ATOM 1506 CA GLY A 98 -10.022 26.126 -6.948 1.00 0.00 C ATOM 1507 C GLY A 98 -9.487 27.532 -7.127 1.00 0.00 C ATOM 1508 O GLY A 98 -8.276 27.736 -7.218 1.00 0.00 O ATOM 0 H GLY A 98 -10.863 25.493 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.452 25.441 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.056 26.087 -7.292 1.00 0.00 H new TER 1512 GLY A 98