USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=30 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 40 SER OG : rot -108:sc= 1.18 USER MOD Set 1.3: A 44 SER OG : rot 150:sc=-0.00457 USER MOD Set 2.1: A 35 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.9) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0785 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.000268 USER MOD Single : A 5 SER OG : rot 14:sc= 0.492 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 -155:sc= -0.387 (180deg=-1.24) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 0.347 (180deg=0.228) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -134:sc= 0.00206 USER MOD Single : A 20 THR OG1 : rot -39:sc= 0.162 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0.0552 (180deg=0.0331) USER MOD Single : A 30 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0.443 (180deg=0.239) USER MOD Single : A 33 THR OG1 : rot 155:sc= 0.406 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.26 F(o=-2.4!,f=-1.3) USER MOD Single : A 47 ASN : amide:sc= 0.308 K(o=0.31,f=-2!) USER MOD Single : A 60 CYS SG : rot -48:sc= 0.291 USER MOD Single : A 61 THR OG1 : rot 72:sc= 0.767 USER MOD Single : A 63 ASN : amide:sc= -2.07! K(o=-2.1!,f=-2.7) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.49! C(o=-6.5!,f=-6.9!) USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= -0.432 (180deg=-1.92!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.1!) USER MOD Single : A 74 GLN : amide:sc= -0.383 K(o=-0.38,f=-3.4!) 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 130:sc= -0.335 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+ 168:sc=-0.00647 (180deg=-0.137) 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 -7.178 -7.796 12.875 1.00 0.00 N ATOM 2 CA GLY A 1 -6.436 -7.795 11.628 1.00 0.00 C ATOM 3 C GLY A 1 -5.921 -9.172 11.258 1.00 0.00 C ATOM 4 O GLY A 1 -6.221 -10.156 11.934 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.139 -7.436 12.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.232 -8.766 13.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.696 -7.187 13.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.076 -7.423 10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.595 -7.106 11.710 1.00 0.00 H new ATOM 8 N SER A 2 -5.144 -9.242 10.182 1.00 0.00 N ATOM 9 CA SER A 2 -4.591 -10.510 9.720 1.00 0.00 C ATOM 10 C SER A 2 -4.041 -11.321 10.890 1.00 0.00 C ATOM 11 O SER A 2 -3.268 -10.813 11.702 1.00 0.00 O ATOM 12 CB SER A 2 -3.486 -10.264 8.691 1.00 0.00 C ATOM 13 OG SER A 2 -2.860 -11.478 8.315 1.00 0.00 O ATOM 0 H SER A 2 -4.883 -8.436 9.614 1.00 0.00 H new ATOM 0 HA SER A 2 -5.394 -11.079 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.907 -9.780 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.744 -9.582 9.106 1.00 0.00 H new ATOM 0 HG SER A 2 -2.159 -11.294 7.655 1.00 0.00 H new ATOM 19 N SER A 3 -4.446 -12.584 10.968 1.00 0.00 N ATOM 20 CA SER A 3 -3.997 -13.465 12.040 1.00 0.00 C ATOM 21 C SER A 3 -2.492 -13.337 12.255 1.00 0.00 C ATOM 22 O SER A 3 -2.022 -13.239 13.387 1.00 0.00 O ATOM 23 CB SER A 3 -4.357 -14.917 11.719 1.00 0.00 C ATOM 24 OG SER A 3 -3.813 -15.313 10.471 1.00 0.00 O ATOM 0 H SER A 3 -5.084 -13.020 10.302 1.00 0.00 H new ATOM 0 HA SER A 3 -4.503 -13.167 12.958 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.982 -15.571 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.441 -15.031 11.699 1.00 0.00 H new ATOM 0 HG SER A 3 -4.055 -16.245 10.289 1.00 0.00 H new ATOM 30 N GLY A 4 -1.742 -13.339 11.157 1.00 0.00 N ATOM 31 CA GLY A 4 -0.298 -13.223 11.245 1.00 0.00 C ATOM 32 C GLY A 4 0.401 -14.561 11.110 1.00 0.00 C ATOM 33 O GLY A 4 0.719 -15.206 12.109 1.00 0.00 O ATOM 0 H GLY A 4 -2.109 -13.419 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.058 -12.551 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.031 -12.772 12.200 1.00 0.00 H new ATOM 37 N SER A 5 0.638 -14.981 9.872 1.00 0.00 N ATOM 38 CA SER A 5 1.299 -16.254 9.610 1.00 0.00 C ATOM 39 C SER A 5 2.052 -16.213 8.283 1.00 0.00 C ATOM 40 O SER A 5 1.483 -15.875 7.245 1.00 0.00 O ATOM 41 CB SER A 5 0.274 -17.390 9.593 1.00 0.00 C ATOM 42 OG SER A 5 -0.543 -17.323 8.437 1.00 0.00 O ATOM 0 H SER A 5 0.382 -14.458 9.034 1.00 0.00 H new ATOM 0 HA SER A 5 2.018 -16.434 10.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.790 -18.350 9.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.349 -17.335 10.486 1.00 0.00 H new ATOM 0 HG SER A 5 -0.145 -16.703 7.791 1.00 0.00 H new ATOM 48 N SER A 6 3.334 -16.559 8.327 1.00 0.00 N ATOM 49 CA SER A 6 4.167 -16.558 7.130 1.00 0.00 C ATOM 50 C SER A 6 3.570 -17.457 6.052 1.00 0.00 C ATOM 51 O SER A 6 2.517 -18.064 6.246 1.00 0.00 O ATOM 52 CB SER A 6 5.585 -17.023 7.469 1.00 0.00 C ATOM 53 OG SER A 6 5.569 -18.302 8.081 1.00 0.00 O ATOM 0 H SER A 6 3.819 -16.844 9.178 1.00 0.00 H new ATOM 0 HA SER A 6 4.208 -15.538 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.187 -17.058 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.058 -16.303 8.137 1.00 0.00 H new ATOM 0 HG SER A 6 6.487 -18.578 8.286 1.00 0.00 H new ATOM 59 N GLY A 7 4.250 -17.536 4.912 1.00 0.00 N ATOM 60 CA GLY A 7 3.772 -18.362 3.818 1.00 0.00 C ATOM 61 C GLY A 7 4.150 -17.802 2.461 1.00 0.00 C ATOM 62 O GLY A 7 5.177 -18.173 1.892 1.00 0.00 O ATOM 0 H GLY A 7 5.123 -17.043 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.181 -19.367 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.688 -18.452 3.881 1.00 0.00 H new ATOM 66 N LYS A 8 3.318 -16.908 1.939 1.00 0.00 N ATOM 67 CA LYS A 8 3.569 -16.296 0.640 1.00 0.00 C ATOM 68 C LYS A 8 4.639 -15.213 0.746 1.00 0.00 C ATOM 69 O LYS A 8 4.327 -14.031 0.884 1.00 0.00 O ATOM 70 CB LYS A 8 2.278 -15.698 0.076 1.00 0.00 C ATOM 71 CG LYS A 8 1.181 -16.724 -0.149 1.00 0.00 C ATOM 72 CD LYS A 8 1.358 -17.448 -1.473 1.00 0.00 C ATOM 73 CE LYS A 8 0.034 -17.986 -1.995 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.401 -19.203 -1.254 1.00 0.00 N ATOM 0 H LYS A 8 2.463 -16.591 2.396 1.00 0.00 H new ATOM 0 HA LYS A 8 3.928 -17.072 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.913 -14.932 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.500 -15.202 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.186 -17.448 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.210 -16.230 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.790 -16.767 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.062 -18.270 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.731 -17.215 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.130 -18.221 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.307 -19.539 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.317 -19.948 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.517 -18.973 -0.246 1.00 0.00 H new ATOM 88 N ALA A 9 5.901 -15.626 0.679 1.00 0.00 N ATOM 89 CA ALA A 9 7.016 -14.691 0.763 1.00 0.00 C ATOM 90 C ALA A 9 6.745 -13.437 -0.061 1.00 0.00 C ATOM 91 O ALA A 9 6.901 -12.317 0.426 1.00 0.00 O ATOM 92 CB ALA A 9 8.302 -15.361 0.302 1.00 0.00 C ATOM 0 H ALA A 9 6.176 -16.602 0.567 1.00 0.00 H new ATOM 0 HA ALA A 9 7.129 -14.391 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.127 -14.651 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.511 -16.222 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.191 -15.690 -0.731 1.00 0.00 H new ATOM 98 N PHE A 10 6.338 -13.633 -1.311 1.00 0.00 N ATOM 99 CA PHE A 10 6.047 -12.517 -2.203 1.00 0.00 C ATOM 100 C PHE A 10 5.358 -11.383 -1.450 1.00 0.00 C ATOM 101 O PHE A 10 5.604 -10.206 -1.715 1.00 0.00 O ATOM 102 CB PHE A 10 5.166 -12.982 -3.365 1.00 0.00 C ATOM 103 CG PHE A 10 5.091 -11.993 -4.493 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.263 -10.886 -4.408 1.00 0.00 C ATOM 105 CD2 PHE A 10 5.849 -12.171 -5.639 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.191 -9.974 -5.444 1.00 0.00 C ATOM 107 CE2 PHE A 10 5.782 -11.262 -6.679 1.00 0.00 C ATOM 108 CZ PHE A 10 4.951 -10.163 -6.581 1.00 0.00 C ATOM 0 H PHE A 10 6.202 -14.554 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 10 6.992 -12.145 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.551 -13.928 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.160 -13.174 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.666 -10.734 -3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.499 -13.029 -5.721 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.541 -9.115 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.379 -11.411 -7.567 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.896 -9.453 -7.393 1.00 0.00 H new ATOM 118 N LEU A 11 4.492 -11.746 -0.509 1.00 0.00 N ATOM 119 CA LEU A 11 3.766 -10.761 0.284 1.00 0.00 C ATOM 120 C LEU A 11 4.569 -10.353 1.514 1.00 0.00 C ATOM 121 O LEU A 11 4.833 -9.170 1.730 1.00 0.00 O ATOM 122 CB LEU A 11 2.408 -11.321 0.710 1.00 0.00 C ATOM 123 CG LEU A 11 1.276 -11.186 -0.310 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.094 -12.056 0.088 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.850 -9.732 -0.444 1.00 0.00 C ATOM 0 H LEU A 11 4.276 -12.716 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 11 3.610 -9.877 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.532 -12.378 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.103 -10.821 1.629 1.00 0.00 H new ATOM 0 HG LEU A 11 1.642 -11.527 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.702 -11.948 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.408 -13.099 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.273 -11.746 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.044 -9.655 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.502 -9.364 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.698 -9.133 -0.776 1.00 0.00 H new ATOM 137 N GLU A 12 4.957 -11.340 2.316 1.00 0.00 N ATOM 138 CA GLU A 12 5.732 -11.082 3.524 1.00 0.00 C ATOM 139 C GLU A 12 6.690 -9.913 3.317 1.00 0.00 C ATOM 140 O GLU A 12 6.676 -8.942 4.074 1.00 0.00 O ATOM 141 CB GLU A 12 6.515 -12.332 3.931 1.00 0.00 C ATOM 142 CG GLU A 12 5.695 -13.330 4.731 1.00 0.00 C ATOM 143 CD GLU A 12 5.763 -13.076 6.224 1.00 0.00 C ATOM 144 OE1 GLU A 12 6.825 -13.342 6.825 1.00 0.00 O ATOM 145 OE2 GLU A 12 4.753 -12.610 6.792 1.00 0.00 O ATOM 0 H GLU A 12 4.747 -12.325 2.151 1.00 0.00 H new ATOM 0 HA GLU A 12 5.037 -10.822 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.893 -12.822 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.382 -12.032 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.656 -13.285 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.051 -14.339 4.521 1.00 0.00 H new ATOM 152 N ASP A 13 7.523 -10.014 2.286 1.00 0.00 N ATOM 153 CA ASP A 13 8.488 -8.966 1.978 1.00 0.00 C ATOM 154 C ASP A 13 7.787 -7.630 1.754 1.00 0.00 C ATOM 155 O ASP A 13 8.040 -6.658 2.466 1.00 0.00 O ATOM 156 CB ASP A 13 9.304 -9.342 0.740 1.00 0.00 C ATOM 157 CG ASP A 13 10.448 -8.381 0.486 1.00 0.00 C ATOM 158 OD1 ASP A 13 11.399 -8.364 1.296 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.394 -7.647 -0.522 1.00 0.00 O ATOM 0 H ASP A 13 7.549 -10.811 1.650 1.00 0.00 H new ATOM 0 HA ASP A 13 9.161 -8.864 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.701 -10.350 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.649 -9.361 -0.131 1.00 0.00 H new ATOM 164 N MET A 14 6.906 -7.589 0.760 1.00 0.00 N ATOM 165 CA MET A 14 6.168 -6.372 0.443 1.00 0.00 C ATOM 166 C MET A 14 5.685 -5.682 1.714 1.00 0.00 C ATOM 167 O MET A 14 5.589 -4.456 1.770 1.00 0.00 O ATOM 168 CB MET A 14 4.977 -6.693 -0.462 1.00 0.00 C ATOM 169 CG MET A 14 4.024 -5.524 -0.650 1.00 0.00 C ATOM 170 SD MET A 14 2.914 -5.301 0.753 1.00 0.00 S ATOM 171 CE MET A 14 1.611 -6.459 0.342 1.00 0.00 C ATOM 0 H MET A 14 6.686 -8.384 0.160 1.00 0.00 H new ATOM 0 HA MET A 14 6.842 -5.695 -0.082 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.347 -7.010 -1.437 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.428 -7.535 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.600 -4.611 -0.801 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.435 -5.682 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.683 -6.148 0.822 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.471 -6.481 -0.739 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.885 -7.454 0.692 1.00 0.00 H new ATOM 181 N LYS A 15 5.380 -6.478 2.734 1.00 0.00 N ATOM 182 CA LYS A 15 4.906 -5.945 4.006 1.00 0.00 C ATOM 183 C LYS A 15 6.027 -5.216 4.741 1.00 0.00 C ATOM 184 O LYS A 15 5.949 -4.010 4.974 1.00 0.00 O ATOM 185 CB LYS A 15 4.356 -7.072 4.882 1.00 0.00 C ATOM 186 CG LYS A 15 3.248 -7.872 4.219 1.00 0.00 C ATOM 187 CD LYS A 15 2.455 -8.676 5.236 1.00 0.00 C ATOM 188 CE LYS A 15 3.082 -10.040 5.480 1.00 0.00 C ATOM 189 NZ LYS A 15 2.342 -10.814 6.514 1.00 0.00 N ATOM 0 H LYS A 15 5.453 -7.495 2.704 1.00 0.00 H new ATOM 0 HA LYS A 15 4.107 -5.233 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.171 -7.746 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.979 -6.647 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.579 -7.196 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.678 -8.545 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.402 -8.125 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.432 -8.803 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.099 -10.604 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.118 -9.912 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.940 -11.592 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.096 -10.187 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.472 -11.204 6.099 1.00 0.00 H new ATOM 203 N LYS A 16 7.069 -5.956 5.104 1.00 0.00 N ATOM 204 CA LYS A 16 8.208 -5.381 5.810 1.00 0.00 C ATOM 205 C LYS A 16 8.683 -4.102 5.127 1.00 0.00 C ATOM 206 O LYS A 16 9.142 -3.169 5.785 1.00 0.00 O ATOM 207 CB LYS A 16 9.355 -6.391 5.879 1.00 0.00 C ATOM 208 CG LYS A 16 10.299 -6.321 4.692 1.00 0.00 C ATOM 209 CD LYS A 16 11.531 -7.185 4.907 1.00 0.00 C ATOM 210 CE LYS A 16 11.178 -8.665 4.922 1.00 0.00 C ATOM 211 NZ LYS A 16 12.271 -9.490 5.508 1.00 0.00 N ATOM 0 H LYS A 16 7.148 -6.956 4.921 1.00 0.00 H new ATOM 0 HA LYS A 16 7.888 -5.134 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.922 -6.222 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.939 -7.397 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.778 -6.647 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.603 -5.287 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.256 -6.991 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.007 -6.914 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.263 -8.814 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.975 -9.000 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.992 -10.492 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.138 -9.368 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.447 -9.187 6.487 1.00 0.00 H new ATOM 225 N TYR A 17 8.568 -4.067 3.804 1.00 0.00 N ATOM 226 CA TYR A 17 8.987 -2.903 3.032 1.00 0.00 C ATOM 227 C TYR A 17 7.938 -1.798 3.100 1.00 0.00 C ATOM 228 O TYR A 17 8.160 -0.752 3.709 1.00 0.00 O ATOM 229 CB TYR A 17 9.237 -3.295 1.575 1.00 0.00 C ATOM 230 CG TYR A 17 9.456 -2.112 0.658 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.711 -1.528 0.535 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.409 -1.578 -0.082 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.916 -0.446 -0.301 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.605 -0.498 -0.921 1.00 0.00 C ATOM 235 CZ TYR A 17 9.860 0.064 -1.027 1.00 0.00 C ATOM 236 OH TYR A 17 10.059 1.141 -1.860 1.00 0.00 O ATOM 0 H TYR A 17 8.188 -4.831 3.244 1.00 0.00 H new ATOM 0 HA TYR A 17 9.914 -2.526 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.109 -3.947 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.387 -3.873 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.540 -1.926 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.425 -2.015 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.897 -0.003 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.780 -0.096 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 17 9.343 1.796 -1.725 1.00 0.00 H new ATOM 246 N ALA A 18 6.792 -2.038 2.470 1.00 0.00 N ATOM 247 CA ALA A 18 5.707 -1.066 2.460 1.00 0.00 C ATOM 248 C ALA A 18 5.541 -0.415 3.829 1.00 0.00 C ATOM 249 O ALA A 18 5.088 0.725 3.933 1.00 0.00 O ATOM 250 CB ALA A 18 4.408 -1.729 2.028 1.00 0.00 C ATOM 0 H ALA A 18 6.592 -2.898 1.960 1.00 0.00 H new ATOM 0 HA ALA A 18 5.959 -0.285 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.606 -0.991 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.526 -2.141 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.160 -2.531 2.723 1.00 0.00 H new ATOM 256 N GLU A 19 5.909 -1.147 4.876 1.00 0.00 N ATOM 257 CA GLU A 19 5.798 -0.640 6.239 1.00 0.00 C ATOM 258 C GLU A 19 6.900 0.375 6.533 1.00 0.00 C ATOM 259 O GLU A 19 6.641 1.572 6.657 1.00 0.00 O ATOM 260 CB GLU A 19 5.870 -1.792 7.243 1.00 0.00 C ATOM 261 CG GLU A 19 5.316 -1.440 8.613 1.00 0.00 C ATOM 262 CD GLU A 19 5.671 -2.470 9.668 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.864 -2.566 10.024 1.00 0.00 O ATOM 264 OE2 GLU A 19 4.757 -3.180 10.137 1.00 0.00 O ATOM 0 H GLU A 19 6.286 -2.092 4.807 1.00 0.00 H new ATOM 0 HA GLU A 19 4.833 -0.142 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.319 -2.644 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.908 -2.106 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.701 -0.466 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.232 -1.349 8.550 1.00 0.00 H new ATOM 271 N THR A 20 8.132 -0.114 6.644 1.00 0.00 N ATOM 272 CA THR A 20 9.273 0.748 6.925 1.00 0.00 C ATOM 273 C THR A 20 9.455 1.794 5.831 1.00 0.00 C ATOM 274 O THR A 20 10.229 2.739 5.984 1.00 0.00 O ATOM 275 CB THR A 20 10.573 -0.068 7.061 1.00 0.00 C ATOM 276 OG1 THR A 20 11.625 0.767 7.557 1.00 0.00 O ATOM 277 CG2 THR A 20 10.980 -0.663 5.721 1.00 0.00 C ATOM 0 H THR A 20 8.364 -1.102 6.544 1.00 0.00 H new ATOM 0 HA THR A 20 9.066 1.248 7.871 1.00 0.00 H new ATOM 0 HB THR A 20 10.394 -0.882 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.561 1.654 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.900 -1.235 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.189 -1.320 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.143 0.139 5.001 1.00 0.00 H new ATOM 285 N PHE A 21 8.737 1.619 4.726 1.00 0.00 N ATOM 286 CA PHE A 21 8.820 2.548 3.605 1.00 0.00 C ATOM 287 C PHE A 21 7.739 3.620 3.707 1.00 0.00 C ATOM 288 O PHE A 21 7.978 4.790 3.403 1.00 0.00 O ATOM 289 CB PHE A 21 8.684 1.796 2.280 1.00 0.00 C ATOM 290 CG PHE A 21 8.334 2.683 1.120 1.00 0.00 C ATOM 291 CD1 PHE A 21 8.932 3.924 0.975 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.408 2.275 0.174 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.612 4.743 -0.091 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.083 3.090 -0.895 1.00 0.00 C ATOM 295 CZ PHE A 21 7.687 4.325 -1.028 1.00 0.00 C ATOM 0 H PHE A 21 8.091 0.842 4.583 1.00 0.00 H new ATOM 0 HA PHE A 21 9.795 3.034 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.621 1.283 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.917 1.028 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.657 4.255 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.934 1.309 0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.085 5.709 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.358 2.761 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.437 4.963 -1.863 1.00 0.00 H new ATOM 305 N LEU A 22 6.549 3.214 4.136 1.00 0.00 N ATOM 306 CA LEU A 22 5.430 4.138 4.278 1.00 0.00 C ATOM 307 C LEU A 22 5.349 4.682 5.701 1.00 0.00 C ATOM 308 O LEU A 22 4.500 5.517 6.009 1.00 0.00 O ATOM 309 CB LEU A 22 4.118 3.442 3.910 1.00 0.00 C ATOM 310 CG LEU A 22 4.023 2.900 2.484 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.911 1.868 2.378 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.796 4.035 1.496 1.00 0.00 C ATOM 0 H LEU A 22 6.334 2.250 4.392 1.00 0.00 H new ATOM 0 HA LEU A 22 5.594 4.974 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.962 2.615 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.301 4.146 4.065 1.00 0.00 H new ATOM 0 HG LEU A 22 4.967 2.413 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.858 1.493 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.116 1.041 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.960 2.329 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.731 3.631 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.867 4.550 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.627 4.738 1.552 1.00 0.00 H new ATOM 324 N GLU A 23 6.240 4.202 6.563 1.00 0.00 N ATOM 325 CA GLU A 23 6.270 4.642 7.953 1.00 0.00 C ATOM 326 C GLU A 23 6.119 6.157 8.048 1.00 0.00 C ATOM 327 O GLU A 23 5.207 6.676 8.692 1.00 0.00 O ATOM 328 CB GLU A 23 7.576 4.206 8.622 1.00 0.00 C ATOM 329 CG GLU A 23 7.469 2.881 9.359 1.00 0.00 C ATOM 330 CD GLU A 23 8.627 2.648 10.309 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.763 3.040 9.969 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.397 2.073 11.394 1.00 0.00 O ATOM 0 H GLU A 23 6.950 3.509 6.324 1.00 0.00 H new ATOM 0 HA GLU A 23 5.432 4.177 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.355 4.128 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.890 4.978 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.534 2.855 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.429 2.068 8.634 1.00 0.00 H new ATOM 339 N PRO A 24 7.035 6.885 7.392 1.00 0.00 N ATOM 340 CA PRO A 24 7.026 8.351 7.387 1.00 0.00 C ATOM 341 C PRO A 24 5.858 8.920 6.588 1.00 0.00 C ATOM 342 O PRO A 24 5.626 10.129 6.587 1.00 0.00 O ATOM 343 CB PRO A 24 8.356 8.712 6.721 1.00 0.00 C ATOM 344 CG PRO A 24 8.687 7.532 5.874 1.00 0.00 C ATOM 345 CD PRO A 24 8.150 6.333 6.605 1.00 0.00 C ATOM 0 HA PRO A 24 6.911 8.762 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.266 9.617 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.133 8.898 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.235 7.622 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.764 7.448 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.811 5.560 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.907 5.880 7.244 1.00 0.00 H new ATOM 353 N TRP A 25 5.127 8.043 5.911 1.00 0.00 N ATOM 354 CA TRP A 25 3.983 8.459 5.108 1.00 0.00 C ATOM 355 C TRP A 25 2.673 8.081 5.790 1.00 0.00 C ATOM 356 O TRP A 25 1.615 8.623 5.469 1.00 0.00 O ATOM 357 CB TRP A 25 4.051 7.825 3.718 1.00 0.00 C ATOM 358 CG TRP A 25 4.797 8.658 2.721 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.303 9.704 1.995 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.169 8.513 2.338 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.286 10.218 1.184 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.440 9.506 1.376 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.195 7.643 2.716 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.694 9.649 0.789 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.439 7.786 2.131 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.680 8.783 1.177 1.00 0.00 C ATOM 0 H TRP A 25 5.306 7.039 5.902 1.00 0.00 H new ATOM 0 HA TRP A 25 4.018 9.544 5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.529 6.848 3.795 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.038 7.656 3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.289 10.073 2.050 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.174 11.003 0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.019 6.873 3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.882 10.417 0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.239 7.118 2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.663 8.870 0.739 1.00 0.00 H new ATOM 377 N PHE A 26 2.750 7.147 6.733 1.00 0.00 N ATOM 378 CA PHE A 26 1.569 6.696 7.460 1.00 0.00 C ATOM 379 C PHE A 26 1.828 6.683 8.964 1.00 0.00 C ATOM 380 O PHE A 26 0.993 7.126 9.753 1.00 0.00 O ATOM 381 CB PHE A 26 1.158 5.299 6.990 1.00 0.00 C ATOM 382 CG PHE A 26 0.455 5.295 5.663 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.549 6.211 5.393 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.799 4.376 4.685 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.197 6.211 4.172 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.154 4.371 3.462 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.846 5.289 3.206 1.00 0.00 C ATOM 0 H PHE A 26 3.617 6.688 7.011 1.00 0.00 H new ATOM 0 HA PHE A 26 0.758 7.395 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.046 4.671 6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.506 4.850 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.829 6.934 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.580 3.656 4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.977 6.931 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.432 3.650 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.352 5.286 2.252 1.00 0.00 H new ATOM 397 N LYS A 27 2.991 6.172 9.353 1.00 0.00 N ATOM 398 CA LYS A 27 3.362 6.101 10.762 1.00 0.00 C ATOM 399 C LYS A 27 3.797 7.469 11.279 1.00 0.00 C ATOM 400 O LYS A 27 4.548 8.183 10.616 1.00 0.00 O ATOM 401 CB LYS A 27 4.490 5.086 10.962 1.00 0.00 C ATOM 402 CG LYS A 27 4.636 4.615 12.399 1.00 0.00 C ATOM 403 CD LYS A 27 5.724 3.564 12.534 1.00 0.00 C ATOM 404 CE LYS A 27 6.372 3.605 13.909 1.00 0.00 C ATOM 405 NZ LYS A 27 6.967 2.292 14.282 1.00 0.00 N ATOM 0 H LYS A 27 3.693 5.801 8.713 1.00 0.00 H new ATOM 0 HA LYS A 27 2.487 5.780 11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.308 4.223 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.430 5.531 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.869 5.466 13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.688 4.205 12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.300 2.575 12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.483 3.724 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.147 4.372 13.922 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.628 3.891 14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.542 2.403 15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.207 1.604 14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.568 1.950 13.505 1.00 0.00 H new ATOM 419 N ALA A 28 3.321 7.826 12.467 1.00 0.00 N ATOM 420 CA ALA A 28 3.664 9.106 13.075 1.00 0.00 C ATOM 421 C ALA A 28 5.143 9.426 12.883 1.00 0.00 C ATOM 422 O ALA A 28 5.970 8.542 12.656 1.00 0.00 O ATOM 423 CB ALA A 28 3.312 9.099 14.555 1.00 0.00 C ATOM 0 H ALA A 28 2.696 7.247 13.028 1.00 0.00 H new ATOM 0 HA ALA A 28 3.083 9.883 12.578 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.574 10.061 14.996 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.243 8.924 14.674 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.867 8.307 15.057 1.00 0.00 H new ATOM 429 N PRO A 29 5.486 10.719 12.974 1.00 0.00 N ATOM 430 CA PRO A 29 4.510 11.780 13.242 1.00 0.00 C ATOM 431 C PRO A 29 3.567 12.011 12.066 1.00 0.00 C ATOM 432 O PRO A 29 2.654 12.832 12.143 1.00 0.00 O ATOM 433 CB PRO A 29 5.384 13.014 13.478 1.00 0.00 C ATOM 434 CG PRO A 29 6.645 12.733 12.737 1.00 0.00 C ATOM 435 CD PRO A 29 6.852 11.246 12.821 1.00 0.00 C ATOM 0 HA PRO A 29 3.860 11.534 14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.901 13.918 13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.575 13.167 14.540 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.569 13.058 11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.485 13.269 13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.335 10.856 11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.484 10.976 13.667 1.00 0.00 H new ATOM 443 N ASN A 30 3.795 11.282 10.979 1.00 0.00 N ATOM 444 CA ASN A 30 2.965 11.408 9.786 1.00 0.00 C ATOM 445 C ASN A 30 1.669 10.618 9.939 1.00 0.00 C ATOM 446 O ASN A 30 1.625 9.604 10.636 1.00 0.00 O ATOM 447 CB ASN A 30 3.730 10.922 8.553 1.00 0.00 C ATOM 448 CG ASN A 30 4.557 12.022 7.915 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.275 12.458 6.799 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.585 12.476 8.623 1.00 0.00 N ATOM 0 H ASN A 30 4.547 10.598 10.899 1.00 0.00 H new ATOM 0 HA ASN A 30 2.714 12.461 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.384 10.097 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.023 10.531 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.177 13.215 8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.782 12.085 9.544 1.00 0.00 H new ATOM 457 N LYS A 31 0.615 11.088 9.281 1.00 0.00 N ATOM 458 CA LYS A 31 -0.683 10.425 9.340 1.00 0.00 C ATOM 459 C LYS A 31 -1.670 11.074 8.376 1.00 0.00 C ATOM 460 O LYS A 31 -1.419 12.158 7.852 1.00 0.00 O ATOM 461 CB LYS A 31 -1.238 10.474 10.766 1.00 0.00 C ATOM 462 CG LYS A 31 -1.127 11.842 11.415 1.00 0.00 C ATOM 463 CD LYS A 31 -2.227 12.064 12.439 1.00 0.00 C ATOM 464 CE LYS A 31 -3.491 12.609 11.791 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.327 13.371 12.760 1.00 0.00 N ATOM 0 H LYS A 31 0.634 11.926 8.700 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.546 9.385 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.285 10.173 10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.706 9.746 11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.154 11.939 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.181 12.615 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.452 11.124 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.879 12.760 13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.221 13.256 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.073 11.784 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.294 13.462 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.352 12.866 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.919 14.317 12.901 1.00 0.00 H new ATOM 479 N GLY A 32 -2.795 10.404 8.148 1.00 0.00 N ATOM 480 CA GLY A 32 -3.804 10.932 7.248 1.00 0.00 C ATOM 481 C GLY A 32 -4.528 9.841 6.483 1.00 0.00 C ATOM 482 O GLY A 32 -4.586 8.694 6.928 1.00 0.00 O ATOM 0 H GLY A 32 -3.026 9.505 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.528 11.512 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.334 11.616 6.541 1.00 0.00 H new ATOM 486 N THR A 33 -5.083 10.198 5.329 1.00 0.00 N ATOM 487 CA THR A 33 -5.809 9.242 4.503 1.00 0.00 C ATOM 488 C THR A 33 -4.992 8.841 3.280 1.00 0.00 C ATOM 489 O THR A 33 -3.960 9.444 2.985 1.00 0.00 O ATOM 490 CB THR A 33 -7.161 9.815 4.037 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.975 11.123 3.486 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.147 9.882 5.194 1.00 0.00 C ATOM 0 H THR A 33 -5.043 11.142 4.946 1.00 0.00 H new ATOM 0 HA THR A 33 -5.989 8.363 5.121 1.00 0.00 H new ATOM 0 HB THR A 33 -7.567 9.154 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.697 11.317 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.094 10.290 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.309 8.880 5.593 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.745 10.524 5.978 1.00 0.00 H new ATOM 500 N PHE A 34 -5.461 7.819 2.571 1.00 0.00 N ATOM 501 CA PHE A 34 -4.773 7.337 1.379 1.00 0.00 C ATOM 502 C PHE A 34 -5.684 6.432 0.554 1.00 0.00 C ATOM 503 O PHE A 34 -6.759 6.040 1.006 1.00 0.00 O ATOM 504 CB PHE A 34 -3.502 6.580 1.770 1.00 0.00 C ATOM 505 CG PHE A 34 -3.738 5.491 2.778 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.036 5.802 4.095 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.661 4.158 2.408 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.254 4.803 5.025 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.879 3.155 3.334 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.174 3.478 4.644 1.00 0.00 C ATOM 0 H PHE A 34 -6.314 7.309 2.801 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.502 8.201 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.058 6.145 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.777 7.287 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.099 6.837 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.428 3.900 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.487 5.058 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.819 2.119 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.342 2.696 5.369 1.00 0.00 H new ATOM 520 N GLN A 35 -5.245 6.107 -0.658 1.00 0.00 N ATOM 521 CA GLN A 35 -6.021 5.250 -1.546 1.00 0.00 C ATOM 522 C GLN A 35 -5.122 4.235 -2.245 1.00 0.00 C ATOM 523 O GLN A 35 -4.256 4.602 -3.040 1.00 0.00 O ATOM 524 CB GLN A 35 -6.761 6.095 -2.585 1.00 0.00 C ATOM 525 CG GLN A 35 -5.868 7.093 -3.306 1.00 0.00 C ATOM 526 CD GLN A 35 -6.563 7.756 -4.478 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.599 8.983 -4.580 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.120 6.948 -5.372 1.00 0.00 N ATOM 0 H GLN A 35 -4.357 6.424 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.749 4.708 -0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.219 5.433 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.571 6.634 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.542 7.858 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.972 6.583 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.067 5.937 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.601 7.338 -6.182 1.00 0.00 H new ATOM 537 N ILE A 36 -5.334 2.959 -1.944 1.00 0.00 N ATOM 538 CA ILE A 36 -4.544 1.891 -2.544 1.00 0.00 C ATOM 539 C ILE A 36 -5.149 1.437 -3.868 1.00 0.00 C ATOM 540 O ILE A 36 -6.367 1.320 -3.999 1.00 0.00 O ATOM 541 CB ILE A 36 -4.429 0.678 -1.602 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.686 1.066 -0.322 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.722 -0.472 -2.304 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.808 0.041 0.783 1.00 0.00 C ATOM 0 H ILE A 36 -6.046 2.639 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.548 2.297 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.433 0.351 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.631 1.214 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.070 2.021 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.648 -1.322 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.289 -0.762 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.722 -0.157 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.257 0.383 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.858 -0.090 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.397 -0.910 0.444 1.00 0.00 H new ATOM 556 N VAL A 37 -4.288 1.181 -4.848 1.00 0.00 N ATOM 557 CA VAL A 37 -4.737 0.737 -6.163 1.00 0.00 C ATOM 558 C VAL A 37 -3.815 -0.341 -6.722 1.00 0.00 C ATOM 559 O VAL A 37 -2.597 -0.169 -6.766 1.00 0.00 O ATOM 560 CB VAL A 37 -4.802 1.909 -7.159 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.183 1.411 -8.545 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.785 2.965 -6.675 1.00 0.00 C ATOM 0 H VAL A 37 -3.276 1.273 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.738 0.325 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.814 2.365 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.224 2.253 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.439 0.694 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.160 0.929 -8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.818 3.786 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.777 2.523 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.464 3.343 -5.704 1.00 0.00 H new ATOM 572 N TYR A 38 -4.405 -1.452 -7.150 1.00 0.00 N ATOM 573 CA TYR A 38 -3.636 -2.559 -7.706 1.00 0.00 C ATOM 574 C TYR A 38 -3.554 -2.456 -9.226 1.00 0.00 C ATOM 575 O TYR A 38 -4.568 -2.520 -9.921 1.00 0.00 O ATOM 576 CB TYR A 38 -4.266 -3.895 -7.308 1.00 0.00 C ATOM 577 CG TYR A 38 -3.623 -5.090 -7.974 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.465 -5.658 -7.458 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.174 -5.652 -9.119 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.873 -6.750 -8.063 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.590 -6.745 -9.731 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.440 -7.290 -9.199 1.00 0.00 C ATOM 583 OH TYR A 38 -1.854 -8.378 -9.805 1.00 0.00 O ATOM 0 H TYR A 38 -5.412 -1.610 -7.123 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.625 -2.506 -7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.197 -4.012 -6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.326 -3.876 -7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.020 -5.239 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.074 -5.227 -9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.972 -7.178 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.031 -7.170 -10.620 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.378 -8.636 -10.592 1.00 0.00 H new ATOM 593 N LYS A 39 -2.337 -2.297 -9.736 1.00 0.00 N ATOM 594 CA LYS A 39 -2.118 -2.187 -11.174 1.00 0.00 C ATOM 595 C LYS A 39 -1.180 -3.284 -11.667 1.00 0.00 C ATOM 596 O LYS A 39 -0.036 -3.381 -11.223 1.00 0.00 O ATOM 597 CB LYS A 39 -1.539 -0.813 -11.518 1.00 0.00 C ATOM 598 CG LYS A 39 -2.593 0.270 -11.674 1.00 0.00 C ATOM 599 CD LYS A 39 -1.962 1.644 -11.828 1.00 0.00 C ATOM 600 CE LYS A 39 -3.014 2.716 -12.068 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.445 4.087 -11.947 1.00 0.00 N ATOM 0 H LYS A 39 -1.487 -2.241 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.080 -2.305 -11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.839 -0.517 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.969 -0.890 -12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.212 0.053 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.251 0.266 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.392 1.886 -10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.258 1.631 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.444 2.587 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.826 2.595 -11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.193 4.789 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.057 4.219 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.687 4.211 -12.648 1.00 0.00 H new ATOM 615 N SER A 40 -1.672 -4.106 -12.588 1.00 0.00 N ATOM 616 CA SER A 40 -0.878 -5.198 -13.140 1.00 0.00 C ATOM 617 C SER A 40 -1.066 -5.296 -14.651 1.00 0.00 C ATOM 618 O SER A 40 -2.167 -5.558 -15.134 1.00 0.00 O ATOM 619 CB SER A 40 -1.264 -6.522 -12.479 1.00 0.00 C ATOM 620 OG SER A 40 -0.228 -7.480 -12.613 1.00 0.00 O ATOM 0 H SER A 40 -2.616 -4.037 -12.968 1.00 0.00 H new ATOM 0 HA SER A 40 0.172 -4.991 -12.935 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.476 -6.356 -11.423 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.179 -6.905 -12.932 1.00 0.00 H new ATOM 0 HG SER A 40 -0.498 -8.166 -13.259 1.00 0.00 H new ATOM 626 N ARG A 41 0.018 -5.085 -15.391 1.00 0.00 N ATOM 627 CA ARG A 41 -0.026 -5.148 -16.846 1.00 0.00 C ATOM 628 C ARG A 41 -0.102 -6.595 -17.325 1.00 0.00 C ATOM 629 O ARG A 41 -0.526 -6.866 -18.448 1.00 0.00 O ATOM 630 CB ARG A 41 1.204 -4.466 -17.446 1.00 0.00 C ATOM 631 CG ARG A 41 2.476 -5.290 -17.330 1.00 0.00 C ATOM 632 CD ARG A 41 3.430 -5.008 -18.479 1.00 0.00 C ATOM 633 NE ARG A 41 4.398 -3.967 -18.143 1.00 0.00 N ATOM 634 CZ ARG A 41 4.149 -2.667 -18.257 1.00 0.00 C ATOM 635 NH1 ARG A 41 2.969 -2.251 -18.695 1.00 0.00 N ATOM 636 NH2 ARG A 41 5.081 -1.780 -17.932 1.00 0.00 N ATOM 0 H ARG A 41 0.937 -4.869 -15.006 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.922 -4.624 -17.180 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.014 -4.253 -18.498 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.356 -3.508 -16.949 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.969 -5.068 -16.384 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.224 -6.350 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.959 -5.923 -18.744 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.860 -4.704 -19.357 1.00 0.00 H new ATOM 0 HE ARG A 41 5.316 -4.254 -17.802 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.250 -2.930 -18.945 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.780 -1.252 -18.782 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.990 -2.096 -17.594 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.888 -0.782 -18.020 1.00 0.00 H new ATOM 650 N ASN A 42 0.312 -7.520 -16.466 1.00 0.00 N ATOM 651 CA ASN A 42 0.292 -8.939 -16.801 1.00 0.00 C ATOM 652 C ASN A 42 -0.468 -9.737 -15.746 1.00 0.00 C ATOM 653 O ASN A 42 -0.795 -9.220 -14.679 1.00 0.00 O ATOM 654 CB ASN A 42 1.719 -9.474 -16.932 1.00 0.00 C ATOM 655 CG ASN A 42 2.415 -9.598 -15.590 1.00 0.00 C ATOM 656 OD1 ASN A 42 2.832 -8.601 -15.000 1.00 0.00 O ATOM 657 ND2 ASN A 42 2.545 -10.826 -15.102 1.00 0.00 N ATOM 0 H ASN A 42 0.666 -7.312 -15.532 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.221 -9.054 -17.756 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.695 -10.450 -17.418 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.295 -8.811 -17.577 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.006 -10.972 -14.204 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.184 -11.624 -15.625 1.00 0.00 H new ATOM 664 N ASN A 43 -0.744 -11.001 -16.052 1.00 0.00 N ATOM 665 CA ASN A 43 -1.465 -11.871 -15.130 1.00 0.00 C ATOM 666 C ASN A 43 -0.549 -12.356 -14.011 1.00 0.00 C ATOM 667 O ASN A 43 0.457 -13.020 -14.263 1.00 0.00 O ATOM 668 CB ASN A 43 -2.052 -13.069 -15.880 1.00 0.00 C ATOM 669 CG ASN A 43 -3.322 -13.588 -15.236 1.00 0.00 C ATOM 670 OD1 ASN A 43 -3.277 -14.415 -14.325 1.00 0.00 O ATOM 671 ND2 ASN A 43 -4.465 -13.104 -15.708 1.00 0.00 N ATOM 0 H ASN A 43 -0.479 -11.445 -16.931 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.277 -11.295 -14.686 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.262 -12.782 -16.910 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.313 -13.869 -15.916 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.352 -13.417 -15.314 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.455 -12.420 -16.464 1.00 0.00 H new ATOM 678 N SER A 44 -0.904 -12.020 -12.775 1.00 0.00 N ATOM 679 CA SER A 44 -0.112 -12.419 -11.617 1.00 0.00 C ATOM 680 C SER A 44 -0.849 -13.467 -10.790 1.00 0.00 C ATOM 681 O SER A 44 -2.074 -13.431 -10.668 1.00 0.00 O ATOM 682 CB SER A 44 0.209 -11.201 -10.749 1.00 0.00 C ATOM 683 OG SER A 44 1.109 -10.327 -11.408 1.00 0.00 O ATOM 0 H SER A 44 -1.735 -11.473 -12.550 1.00 0.00 H new ATOM 0 HA SER A 44 0.820 -12.855 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.711 -10.668 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.642 -11.528 -9.804 1.00 0.00 H new ATOM 0 HG SER A 44 0.943 -9.406 -11.117 1.00 0.00 H new ATOM 689 N HIS A 45 -0.094 -14.403 -10.223 1.00 0.00 N ATOM 690 CA HIS A 45 -0.674 -15.463 -9.406 1.00 0.00 C ATOM 691 C HIS A 45 -1.356 -14.884 -8.170 1.00 0.00 C ATOM 692 O HIS A 45 -2.542 -15.116 -7.937 1.00 0.00 O ATOM 693 CB HIS A 45 0.405 -16.462 -8.988 1.00 0.00 C ATOM 694 CG HIS A 45 1.640 -15.815 -8.441 1.00 0.00 C ATOM 695 ND1 HIS A 45 2.651 -15.168 -9.066 1.00 0.00 N flip ATOM 696 CD2 HIS A 45 1.945 -15.791 -7.097 1.00 0.00 C flip ATOM 697 CE1 HIS A 45 3.539 -14.767 -8.098 1.00 0.00 C flip ATOM 698 NE2 HIS A 45 3.090 -15.155 -6.918 1.00 0.00 N flip ATOM 0 H HIS A 45 0.921 -14.449 -10.314 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.424 -15.980 -10.004 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.006 -17.135 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.676 -17.073 -9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.342 -16.224 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.455 -14.223 -8.273 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.548 -14.992 -6.022 1.00 0.00 H new ATOM 706 N VAL A 46 -0.597 -14.131 -7.379 1.00 0.00 N ATOM 707 CA VAL A 46 -1.128 -13.520 -6.167 1.00 0.00 C ATOM 708 C VAL A 46 -2.345 -12.656 -6.475 1.00 0.00 C ATOM 709 O VAL A 46 -2.351 -11.895 -7.441 1.00 0.00 O ATOM 710 CB VAL A 46 -0.064 -12.656 -5.462 1.00 0.00 C ATOM 711 CG1 VAL A 46 0.472 -11.592 -6.407 1.00 0.00 C ATOM 712 CG2 VAL A 46 -0.641 -12.023 -4.205 1.00 0.00 C ATOM 0 H VAL A 46 0.387 -13.930 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.422 -14.334 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 46 0.766 -13.299 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.222 -10.992 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.925 -12.071 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.346 -10.949 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.123 -11.416 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.489 -11.393 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.971 -12.806 -3.522 1.00 0.00 H new ATOM 722 N ASN A 47 -3.377 -12.779 -5.645 1.00 0.00 N ATOM 723 CA ASN A 47 -4.602 -12.009 -5.829 1.00 0.00 C ATOM 724 C ASN A 47 -4.352 -10.524 -5.584 1.00 0.00 C ATOM 725 O ASN A 47 -3.469 -10.152 -4.811 1.00 0.00 O ATOM 726 CB ASN A 47 -5.694 -12.517 -4.886 1.00 0.00 C ATOM 727 CG ASN A 47 -6.420 -13.728 -5.440 1.00 0.00 C ATOM 728 OD1 ASN A 47 -6.242 -14.093 -6.603 1.00 0.00 O ATOM 729 ND2 ASN A 47 -7.242 -14.357 -4.609 1.00 0.00 N ATOM 0 H ASN A 47 -3.389 -13.404 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.933 -12.138 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.250 -12.772 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.413 -11.718 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.757 -15.178 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.358 -14.019 -3.654 1.00 0.00 H new ATOM 736 N ARG A 48 -5.137 -9.681 -6.247 1.00 0.00 N ATOM 737 CA ARG A 48 -5.002 -8.237 -6.101 1.00 0.00 C ATOM 738 C ARG A 48 -5.581 -7.767 -4.770 1.00 0.00 C ATOM 739 O ARG A 48 -5.005 -6.913 -4.099 1.00 0.00 O ATOM 740 CB ARG A 48 -5.702 -7.519 -7.256 1.00 0.00 C ATOM 741 CG ARG A 48 -7.181 -7.851 -7.373 1.00 0.00 C ATOM 742 CD ARG A 48 -7.710 -7.555 -8.767 1.00 0.00 C ATOM 743 NE ARG A 48 -8.945 -8.281 -9.050 1.00 0.00 N ATOM 744 CZ ARG A 48 -10.109 -8.005 -8.471 1.00 0.00 C ATOM 745 NH1 ARG A 48 -10.195 -7.024 -7.584 1.00 0.00 N ATOM 746 NH2 ARG A 48 -11.189 -8.711 -8.780 1.00 0.00 N ATOM 0 H ARG A 48 -5.873 -9.973 -6.890 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.940 -7.993 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.589 -6.443 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.205 -7.781 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.338 -8.904 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.744 -7.274 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.888 -6.484 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.955 -7.823 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.913 -9.041 -9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.367 -6.479 -7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.089 -6.814 -7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.126 -9.466 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.082 -8.498 -8.335 1.00 0.00 H new ATOM 760 N GLU A 49 -6.725 -8.332 -4.397 1.00 0.00 N ATOM 761 CA GLU A 49 -7.383 -7.970 -3.147 1.00 0.00 C ATOM 762 C GLU A 49 -6.448 -8.181 -1.959 1.00 0.00 C ATOM 763 O GLU A 49 -6.316 -7.311 -1.099 1.00 0.00 O ATOM 764 CB GLU A 49 -8.659 -8.794 -2.958 1.00 0.00 C ATOM 765 CG GLU A 49 -8.440 -10.292 -3.088 1.00 0.00 C ATOM 766 CD GLU A 49 -9.736 -11.077 -3.035 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.803 -10.480 -3.288 1.00 0.00 O ATOM 768 OE2 GLU A 49 -9.683 -12.290 -2.740 1.00 0.00 O ATOM 0 H GLU A 49 -7.215 -9.041 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.646 -6.913 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.077 -8.580 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.398 -8.478 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.931 -10.501 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.782 -10.630 -2.288 1.00 0.00 H new ATOM 775 N GLU A 50 -5.804 -9.343 -1.920 1.00 0.00 N ATOM 776 CA GLU A 50 -4.883 -9.668 -0.837 1.00 0.00 C ATOM 777 C GLU A 50 -3.816 -8.587 -0.687 1.00 0.00 C ATOM 778 O GLU A 50 -3.458 -8.204 0.427 1.00 0.00 O ATOM 779 CB GLU A 50 -4.219 -11.023 -1.093 1.00 0.00 C ATOM 780 CG GLU A 50 -5.002 -12.199 -0.535 1.00 0.00 C ATOM 781 CD GLU A 50 -6.413 -12.274 -1.085 1.00 0.00 C ATOM 782 OE1 GLU A 50 -6.599 -12.876 -2.163 1.00 0.00 O ATOM 783 OE2 GLU A 50 -7.332 -11.732 -0.436 1.00 0.00 O ATOM 0 H GLU A 50 -5.903 -10.074 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.455 -9.720 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.092 -11.159 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.222 -11.019 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.476 -13.125 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.043 -12.121 0.551 1.00 0.00 H new ATOM 790 N VAL A 51 -3.312 -8.100 -1.816 1.00 0.00 N ATOM 791 CA VAL A 51 -2.287 -7.063 -1.811 1.00 0.00 C ATOM 792 C VAL A 51 -2.845 -5.741 -1.296 1.00 0.00 C ATOM 793 O VAL A 51 -2.268 -5.118 -0.404 1.00 0.00 O ATOM 794 CB VAL A 51 -1.702 -6.846 -3.219 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.772 -5.643 -3.231 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.975 -8.096 -3.692 1.00 0.00 C ATOM 0 H VAL A 51 -3.597 -8.407 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.495 -7.404 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.523 -6.648 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.368 -5.505 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.326 -4.752 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.046 -5.809 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.568 -7.925 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.163 -8.327 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.673 -8.933 -3.724 1.00 0.00 H new ATOM 806 N ILE A 52 -3.971 -5.320 -1.862 1.00 0.00 N ATOM 807 CA ILE A 52 -4.608 -4.072 -1.458 1.00 0.00 C ATOM 808 C ILE A 52 -5.048 -4.127 0.001 1.00 0.00 C ATOM 809 O ILE A 52 -4.507 -3.420 0.851 1.00 0.00 O ATOM 810 CB ILE A 52 -5.829 -3.752 -2.340 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.397 -3.549 -3.793 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.550 -2.518 -1.818 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.531 -3.679 -4.785 1.00 0.00 C ATOM 0 H ILE A 52 -4.461 -5.824 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.865 -3.284 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.518 -4.595 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.947 -2.561 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.625 -4.278 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.411 -2.304 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.887 -2.698 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.870 -1.666 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.151 -3.523 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.966 -4.675 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.294 -2.932 -4.565 1.00 0.00 H new ATOM 825 N ARG A 53 -6.034 -4.973 0.284 1.00 0.00 N ATOM 826 CA ARG A 53 -6.547 -5.121 1.641 1.00 0.00 C ATOM 827 C ARG A 53 -5.407 -5.134 2.655 1.00 0.00 C ATOM 828 O ARG A 53 -5.342 -4.280 3.539 1.00 0.00 O ATOM 829 CB ARG A 53 -7.365 -6.409 1.761 1.00 0.00 C ATOM 830 CG ARG A 53 -8.828 -6.238 1.384 1.00 0.00 C ATOM 831 CD ARG A 53 -8.988 -5.919 -0.094 1.00 0.00 C ATOM 832 NE ARG A 53 -10.392 -5.814 -0.482 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.809 -5.169 -1.567 1.00 0.00 C ATOM 834 NH1 ARG A 53 -9.933 -4.576 -2.367 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.103 -5.118 -1.853 1.00 0.00 N ATOM 0 H ARG A 53 -6.493 -5.566 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.191 -4.268 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.921 -7.173 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.303 -6.775 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.375 -7.150 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.267 -5.438 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.478 -4.982 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.505 -6.696 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.091 -6.260 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.937 -4.614 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.255 -4.082 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.779 -5.574 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.422 -4.623 -2.686 1.00 0.00 H new ATOM 849 N GLU A 54 -4.513 -6.108 2.521 1.00 0.00 N ATOM 850 CA GLU A 54 -3.377 -6.231 3.427 1.00 0.00 C ATOM 851 C GLU A 54 -2.667 -4.891 3.595 1.00 0.00 C ATOM 852 O GLU A 54 -2.641 -4.321 4.687 1.00 0.00 O ATOM 853 CB GLU A 54 -2.392 -7.280 2.906 1.00 0.00 C ATOM 854 CG GLU A 54 -1.068 -7.295 3.652 1.00 0.00 C ATOM 855 CD GLU A 54 -1.134 -8.089 4.942 1.00 0.00 C ATOM 856 OE1 GLU A 54 -0.903 -9.316 4.895 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.416 -7.485 5.997 1.00 0.00 O ATOM 0 H GLU A 54 -4.553 -6.823 1.795 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.754 -6.548 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.852 -8.266 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.202 -7.094 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.297 -7.719 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.769 -6.271 3.875 1.00 0.00 H new ATOM 864 N LEU A 55 -2.092 -4.392 2.506 1.00 0.00 N ATOM 865 CA LEU A 55 -1.380 -3.119 2.532 1.00 0.00 C ATOM 866 C LEU A 55 -2.088 -2.118 3.440 1.00 0.00 C ATOM 867 O LEU A 55 -1.452 -1.438 4.245 1.00 0.00 O ATOM 868 CB LEU A 55 -1.265 -2.548 1.117 1.00 0.00 C ATOM 869 CG LEU A 55 -0.023 -2.960 0.326 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.244 -2.746 -1.163 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.195 -2.182 0.804 1.00 0.00 C ATOM 0 H LEU A 55 -2.105 -4.849 1.594 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.380 -3.298 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.147 -2.849 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.285 -1.460 1.183 1.00 0.00 H new ATOM 0 HG LEU A 55 0.158 -4.021 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.650 -3.045 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.090 -3.347 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.451 -1.693 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.070 -2.488 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.023 -1.115 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.365 -2.386 1.861 1.00 0.00 H new ATOM 883 N ALA A 56 -3.407 -2.036 3.307 1.00 0.00 N ATOM 884 CA ALA A 56 -4.202 -1.122 4.119 1.00 0.00 C ATOM 885 C ALA A 56 -4.188 -1.537 5.586 1.00 0.00 C ATOM 886 O ALA A 56 -4.014 -0.705 6.475 1.00 0.00 O ATOM 887 CB ALA A 56 -5.630 -1.060 3.599 1.00 0.00 C ATOM 0 H ALA A 56 -3.948 -2.591 2.645 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.757 -0.130 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.212 -0.374 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.627 -0.708 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.076 -2.054 3.642 1.00 0.00 H new ATOM 893 N GLY A 57 -4.373 -2.830 5.832 1.00 0.00 N ATOM 894 CA GLY A 57 -4.380 -3.333 7.193 1.00 0.00 C ATOM 895 C GLY A 57 -3.106 -2.995 7.942 1.00 0.00 C ATOM 896 O GLY A 57 -3.107 -2.897 9.169 1.00 0.00 O ATOM 0 H GLY A 57 -4.518 -3.539 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.234 -2.916 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.512 -4.415 7.177 1.00 0.00 H new ATOM 900 N ILE A 58 -2.016 -2.818 7.202 1.00 0.00 N ATOM 901 CA ILE A 58 -0.730 -2.490 7.805 1.00 0.00 C ATOM 902 C ILE A 58 -0.621 -0.996 8.089 1.00 0.00 C ATOM 903 O ILE A 58 -0.109 -0.587 9.131 1.00 0.00 O ATOM 904 CB ILE A 58 0.441 -2.915 6.899 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.367 -4.415 6.603 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.770 -2.562 7.550 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.244 -4.847 5.449 1.00 0.00 C ATOM 0 H ILE A 58 -1.998 -2.896 6.185 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.672 -3.041 8.744 1.00 0.00 H new ATOM 0 HB ILE A 58 0.366 -2.374 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.657 -4.968 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.666 -4.683 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.588 -2.869 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.820 -1.486 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.855 -3.079 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.141 -5.921 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.940 -4.321 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.284 -4.610 5.674 1.00 0.00 H new ATOM 919 N VAL A 59 -1.109 -0.184 7.156 1.00 0.00 N ATOM 920 CA VAL A 59 -1.069 1.265 7.307 1.00 0.00 C ATOM 921 C VAL A 59 -1.658 1.694 8.646 1.00 0.00 C ATOM 922 O VAL A 59 -1.031 2.439 9.401 1.00 0.00 O ATOM 923 CB VAL A 59 -1.837 1.969 6.172 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.815 3.477 6.367 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.254 1.589 4.819 1.00 0.00 C ATOM 0 H VAL A 59 -1.537 -0.506 6.288 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.020 1.559 7.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.875 1.639 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.362 3.957 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.283 3.728 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.783 3.829 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.808 2.095 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.207 1.889 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.328 0.510 4.681 1.00 0.00 H new ATOM 935 N CYS A 60 -2.864 1.220 8.935 1.00 0.00 N ATOM 936 CA CYS A 60 -3.538 1.555 10.184 1.00 0.00 C ATOM 937 C CYS A 60 -2.714 1.103 11.385 1.00 0.00 C ATOM 938 O CYS A 60 -2.646 1.794 12.402 1.00 0.00 O ATOM 939 CB CYS A 60 -4.924 0.909 10.229 1.00 0.00 C ATOM 940 SG CYS A 60 -6.164 1.750 9.217 1.00 0.00 S ATOM 0 H CYS A 60 -3.396 0.602 8.321 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.648 2.638 10.229 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.841 -0.126 9.898 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.269 0.886 11.263 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.130 3.027 9.460 1.00 0.00 H new ATOM 946 N THR A 61 -2.088 -0.064 11.262 1.00 0.00 N ATOM 947 CA THR A 61 -1.270 -0.610 12.337 1.00 0.00 C ATOM 948 C THR A 61 -0.233 0.403 12.808 1.00 0.00 C ATOM 949 O THR A 61 0.069 0.490 13.999 1.00 0.00 O ATOM 950 CB THR A 61 -0.551 -1.899 11.896 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.510 -2.882 11.493 1.00 0.00 O ATOM 952 CG2 THR A 61 0.307 -2.452 13.024 1.00 0.00 C ATOM 0 H THR A 61 -2.133 -0.649 10.428 1.00 0.00 H new ATOM 0 HA THR A 61 -1.945 -0.843 13.161 1.00 0.00 H new ATOM 0 HB THR A 61 0.096 -1.658 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.911 -2.617 10.639 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.805 -3.362 12.690 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.055 -1.712 13.308 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.324 -2.678 13.884 1.00 0.00 H new ATOM 960 N LEU A 62 0.311 1.166 11.866 1.00 0.00 N ATOM 961 CA LEU A 62 1.315 2.175 12.185 1.00 0.00 C ATOM 962 C LEU A 62 0.725 3.273 13.064 1.00 0.00 C ATOM 963 O LEU A 62 1.075 3.398 14.236 1.00 0.00 O ATOM 964 CB LEU A 62 1.881 2.783 10.901 1.00 0.00 C ATOM 965 CG LEU A 62 2.477 1.796 9.896 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.520 2.410 8.505 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.870 1.365 10.334 1.00 0.00 C ATOM 0 H LEU A 62 0.074 1.105 10.876 1.00 0.00 H new ATOM 0 HA LEU A 62 2.120 1.689 12.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.086 3.340 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.652 3.503 11.173 1.00 0.00 H new ATOM 0 HG LEU A 62 1.839 0.913 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.947 1.693 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.509 2.668 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.135 3.310 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.279 0.663 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.518 2.239 10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.812 0.884 11.310 1.00 0.00 H new ATOM 979 N ASN A 63 -0.174 4.065 12.489 1.00 0.00 N ATOM 980 CA ASN A 63 -0.815 5.151 13.220 1.00 0.00 C ATOM 981 C ASN A 63 -2.333 5.000 13.200 1.00 0.00 C ATOM 982 O ASN A 63 -2.949 4.959 12.135 1.00 0.00 O ATOM 983 CB ASN A 63 -0.418 6.502 12.620 1.00 0.00 C ATOM 984 CG ASN A 63 -0.423 7.616 13.650 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.148 7.555 14.643 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.389 8.640 13.416 1.00 0.00 N ATOM 0 H ASN A 63 -0.475 3.975 11.519 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.477 5.107 14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.576 6.423 12.179 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.106 6.754 11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.430 9.419 14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.972 8.648 12.579 1.00 0.00 H new ATOM 993 N SER A 64 -2.930 4.918 14.385 1.00 0.00 N ATOM 994 CA SER A 64 -4.376 4.768 14.504 1.00 0.00 C ATOM 995 C SER A 64 -5.101 5.897 13.778 1.00 0.00 C ATOM 996 O SER A 64 -6.251 5.748 13.368 1.00 0.00 O ATOM 997 CB SER A 64 -4.788 4.747 15.977 1.00 0.00 C ATOM 998 OG SER A 64 -6.184 4.544 16.113 1.00 0.00 O ATOM 0 H SER A 64 -2.435 4.953 15.276 1.00 0.00 H new ATOM 0 HA SER A 64 -4.658 3.822 14.041 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.250 3.955 16.497 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.506 5.688 16.450 1.00 0.00 H new ATOM 0 HG SER A 64 -6.422 4.533 17.064 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.418 7.027 13.623 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.996 8.182 12.947 1.00 0.00 C ATOM 1006 C GLU A 65 -5.131 7.926 11.449 1.00 0.00 C ATOM 1007 O GLU A 65 -5.961 8.534 10.776 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.137 9.426 13.187 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.101 9.869 14.640 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.234 10.814 14.990 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.407 10.403 14.870 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.947 11.964 15.385 1.00 0.00 O ATOM 0 H GLU A 65 -3.464 7.167 13.956 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.990 8.351 13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.119 9.225 12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.518 10.244 12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.152 8.992 15.285 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.149 10.359 14.843 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.306 7.020 10.933 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.331 6.682 9.515 1.00 0.00 C ATOM 1021 C ASN A 66 -5.656 6.028 9.134 1.00 0.00 C ATOM 1022 O ASN A 66 -6.121 5.107 9.806 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.170 5.747 9.171 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.828 6.308 9.600 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.609 7.519 9.563 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.922 5.428 10.011 1.00 0.00 N ATOM 0 H ASN A 66 -3.612 6.507 11.476 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.226 7.605 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.329 4.783 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.158 5.567 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.001 5.747 10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.147 4.433 10.025 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.258 6.510 8.053 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.528 5.972 7.580 1.00 0.00 C ATOM 1035 C LYS A 67 -7.600 6.005 6.057 1.00 0.00 C ATOM 1036 O LYS A 67 -7.741 7.069 5.454 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.694 6.767 8.173 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.973 6.441 9.630 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.887 7.474 10.267 1.00 0.00 C ATOM 1040 CE LYS A 67 -9.104 8.681 10.761 1.00 0.00 C ATOM 1041 NZ LYS A 67 -8.923 9.701 9.691 1.00 0.00 N ATOM 0 H LYS A 67 -5.887 7.273 7.487 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.599 4.935 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.480 7.832 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.592 6.571 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.431 5.455 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.033 6.397 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.635 7.796 9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.424 7.021 11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.625 9.130 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.128 8.357 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.005 10.653 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.983 9.590 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.654 9.574 8.963 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.502 4.831 5.439 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.558 4.725 3.986 1.00 0.00 C ATOM 1057 C VAL A 68 -8.904 5.203 3.452 1.00 0.00 C ATOM 1058 O VAL A 68 -9.951 4.658 3.801 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.318 3.278 3.519 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.274 2.324 4.220 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.462 3.175 2.008 1.00 0.00 C ATOM 0 H VAL A 68 -7.383 3.941 5.923 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.766 5.362 3.591 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.300 2.994 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.089 1.306 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.117 2.378 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.302 2.604 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.289 2.145 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.468 3.479 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.733 3.827 1.528 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.869 6.224 2.603 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.086 6.775 2.018 1.00 0.00 C ATOM 1073 C ASP A 69 -10.009 6.767 0.495 1.00 0.00 C ATOM 1074 O ASP A 69 -8.929 6.899 -0.083 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.319 8.200 2.522 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.788 8.576 2.536 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.516 8.159 1.611 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.209 9.288 3.472 1.00 0.00 O ATOM 0 H ASP A 69 -8.011 6.687 2.304 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.923 6.148 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.912 8.297 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.774 8.900 1.889 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.160 6.611 -0.150 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.223 6.585 -1.607 1.00 0.00 C ATOM 1085 C LEU A 70 -11.926 7.828 -2.144 1.00 0.00 C ATOM 1086 O LEU A 70 -12.127 7.968 -3.351 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.952 5.327 -2.083 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.382 3.995 -1.594 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.297 2.846 -1.988 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.982 3.779 -2.149 1.00 0.00 C ATOM 0 H LEU A 70 -12.062 6.501 0.313 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.203 6.573 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.993 5.392 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.951 5.321 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.319 4.025 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.875 1.906 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.280 2.995 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.392 2.812 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.592 2.826 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.020 3.769 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.330 4.587 -1.816 1.00 0.00 H new ATOM 1102 N THR A 71 -12.296 8.729 -1.240 1.00 0.00 N ATOM 1103 CA THR A 71 -12.975 9.961 -1.622 1.00 0.00 C ATOM 1104 C THR A 71 -12.042 11.161 -1.507 1.00 0.00 C ATOM 1105 O THR A 71 -11.804 11.869 -2.485 1.00 0.00 O ATOM 1106 CB THR A 71 -14.221 10.209 -0.751 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.056 9.045 -0.748 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.010 11.404 -1.264 1.00 0.00 C ATOM 0 H THR A 71 -12.137 8.629 -0.237 1.00 0.00 H new ATOM 0 HA THR A 71 -13.284 9.843 -2.660 1.00 0.00 H new ATOM 0 HB THR A 71 -13.891 10.421 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.845 9.210 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.885 11.560 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.381 12.294 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.330 11.216 -2.289 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.516 11.384 -0.307 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.609 12.500 -0.065 1.00 0.00 C ATOM 1118 C ASN A 72 -9.248 12.000 0.410 1.00 0.00 C ATOM 1119 O ASN A 72 -8.746 12.397 1.462 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.205 13.454 0.971 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.053 14.540 0.337 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.867 14.886 -0.830 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.990 15.083 1.106 1.00 0.00 N ATOM 0 H ASN A 72 -11.702 10.807 0.513 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.472 13.036 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.813 12.887 1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.399 13.914 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.591 15.818 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.108 14.765 2.068 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.634 11.109 -0.383 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.323 10.537 -0.064 1.00 0.00 C ATOM 1132 C PRO A 73 -6.199 11.561 -0.182 1.00 0.00 C ATOM 1133 O PRO A 73 -6.148 12.330 -1.141 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.153 9.434 -1.112 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.005 9.864 -2.256 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.174 10.591 -1.651 1.00 0.00 C ATOM 0 HA PRO A 73 -7.274 10.179 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.110 9.330 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.471 8.466 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.450 10.513 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.339 9.005 -2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.525 11.396 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.020 9.924 -1.485 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.303 11.565 0.799 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.180 12.496 0.804 1.00 0.00 C ATOM 1146 C GLN A 74 -2.958 11.879 0.132 1.00 0.00 C ATOM 1147 O GLN A 74 -2.195 12.568 -0.545 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.837 12.905 2.237 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.869 13.824 2.871 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.744 15.258 2.396 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -4.749 15.529 1.195 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.631 16.187 3.339 1.00 0.00 N ATOM 0 H GLN A 74 -5.332 10.935 1.600 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.472 13.382 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.737 12.008 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.867 13.403 2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.868 13.455 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.760 13.794 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.631 15.918 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.544 17.169 3.079 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.779 10.577 0.323 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.648 9.867 -0.262 1.00 0.00 C ATOM 1163 C TYR A 75 -2.119 8.658 -1.066 1.00 0.00 C ATOM 1164 O TYR A 75 -2.792 7.772 -0.539 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.678 9.419 0.832 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.252 10.536 1.759 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.825 11.354 1.443 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.929 10.773 2.949 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.217 12.375 2.287 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.545 11.792 3.798 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.529 12.590 3.463 1.00 0.00 C ATOM 1172 OH TYR A 75 0.916 13.607 4.306 1.00 0.00 O ATOM 0 H TYR A 75 -3.403 9.992 0.879 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.133 10.551 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.146 8.629 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.208 8.987 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.365 11.189 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.770 10.150 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.058 13.001 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.082 11.963 4.719 1.00 0.00 H new ATOM 0 HH TYR A 75 0.327 13.624 5.089 1.00 0.00 H new ATOM 1182 N THR A 76 -1.760 8.630 -2.345 1.00 0.00 N ATOM 1183 CA THR A 76 -2.145 7.532 -3.223 1.00 0.00 C ATOM 1184 C THR A 76 -1.033 6.494 -3.326 1.00 0.00 C ATOM 1185 O THR A 76 0.030 6.763 -3.885 1.00 0.00 O ATOM 1186 CB THR A 76 -2.493 8.038 -4.636 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.480 9.073 -4.556 1.00 0.00 O ATOM 1188 CG2 THR A 76 -3.011 6.902 -5.505 1.00 0.00 C ATOM 0 H THR A 76 -1.203 9.355 -2.796 1.00 0.00 H new ATOM 0 HA THR A 76 -3.029 7.070 -2.783 1.00 0.00 H new ATOM 0 HB THR A 76 -1.585 8.436 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.695 9.391 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.250 7.283 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.247 6.129 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.908 6.478 -5.053 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.286 5.307 -2.785 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.306 4.228 -2.818 1.00 0.00 C ATOM 1198 C VAL A 77 -0.681 3.177 -3.858 1.00 0.00 C ATOM 1199 O VAL A 77 -1.542 2.331 -3.618 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.173 3.548 -1.443 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.841 4.283 -0.580 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.525 3.480 -0.749 1.00 0.00 C ATOM 0 H VAL A 77 -2.161 5.068 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 77 0.650 4.677 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 77 0.184 2.529 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.922 3.788 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.813 4.275 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.516 5.313 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.412 2.996 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.913 4.489 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.220 2.906 -1.362 1.00 0.00 H new ATOM 1212 N VAL A 78 -0.028 3.238 -5.014 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.291 2.291 -6.091 1.00 0.00 C ATOM 1214 C VAL A 78 0.761 1.187 -6.121 1.00 0.00 C ATOM 1215 O VAL A 78 1.924 1.414 -5.787 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.321 2.993 -7.461 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.233 4.210 -7.417 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.084 3.385 -7.890 1.00 0.00 C ATOM 0 H VAL A 78 0.687 3.933 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.269 1.852 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.720 2.296 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.242 4.694 -8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.245 3.897 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.867 4.912 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.043 3.880 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.513 4.065 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.704 2.492 -7.964 1.00 0.00 H new ATOM 1228 N VAL A 79 0.345 -0.009 -6.525 1.00 0.00 N ATOM 1229 CA VAL A 79 1.251 -1.148 -6.601 1.00 0.00 C ATOM 1230 C VAL A 79 1.343 -1.683 -8.026 1.00 0.00 C ATOM 1231 O VAL A 79 0.443 -2.376 -8.498 1.00 0.00 O ATOM 1232 CB VAL A 79 0.802 -2.286 -5.665 1.00 0.00 C ATOM 1233 CG1 VAL A 79 0.984 -1.884 -4.210 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.644 -2.666 -5.945 1.00 0.00 C ATOM 0 H VAL A 79 -0.614 -0.214 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 79 2.232 -0.794 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 79 1.427 -3.158 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.662 -2.700 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.035 -1.666 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.386 -0.997 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.945 -3.471 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.286 -1.800 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.739 -2.999 -6.978 1.00 0.00 H new ATOM 1244 N GLU A 80 2.438 -1.356 -8.705 1.00 0.00 N ATOM 1245 CA GLU A 80 2.647 -1.804 -10.077 1.00 0.00 C ATOM 1246 C GLU A 80 3.447 -3.103 -10.110 1.00 0.00 C ATOM 1247 O GLU A 80 4.323 -3.325 -9.273 1.00 0.00 O ATOM 1248 CB GLU A 80 3.371 -0.725 -10.885 1.00 0.00 C ATOM 1249 CG GLU A 80 3.368 -0.980 -12.383 1.00 0.00 C ATOM 1250 CD GLU A 80 3.791 0.236 -13.183 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.498 1.367 -12.741 1.00 0.00 O ATOM 1252 OE2 GLU A 80 4.414 0.058 -14.250 1.00 0.00 O ATOM 0 H GLU A 80 3.193 -0.783 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 80 1.670 -1.988 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.903 0.239 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.402 -0.655 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.039 -1.809 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.369 -1.285 -12.694 1.00 0.00 H new ATOM 1259 N ILE A 81 3.139 -3.956 -11.080 1.00 0.00 N ATOM 1260 CA ILE A 81 3.830 -5.232 -11.222 1.00 0.00 C ATOM 1261 C ILE A 81 4.814 -5.198 -12.386 1.00 0.00 C ATOM 1262 O ILE A 81 4.412 -5.182 -13.550 1.00 0.00 O ATOM 1263 CB ILE A 81 2.836 -6.389 -11.437 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.844 -6.462 -10.274 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.582 -7.707 -11.587 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.492 -6.299 -8.917 1.00 0.00 C ATOM 0 H ILE A 81 2.416 -3.787 -11.779 1.00 0.00 H new ATOM 0 HA ILE A 81 4.376 -5.401 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 81 2.278 -6.203 -12.355 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.088 -5.687 -10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.326 -7.421 -10.308 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.866 -8.515 -11.738 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.252 -7.650 -12.445 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.163 -7.901 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.730 -6.361 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.228 -7.089 -8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.986 -5.329 -8.864 1.00 0.00 H new ATOM 1278 N ILE A 82 6.103 -5.190 -12.065 1.00 0.00 N ATOM 1279 CA ILE A 82 7.144 -5.162 -13.084 1.00 0.00 C ATOM 1280 C ILE A 82 8.164 -6.273 -12.860 1.00 0.00 C ATOM 1281 O ILE A 82 8.616 -6.498 -11.737 1.00 0.00 O ATOM 1282 CB ILE A 82 7.874 -3.806 -13.105 1.00 0.00 C ATOM 1283 CG1 ILE A 82 6.866 -2.661 -13.220 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.870 -3.759 -14.254 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.386 -2.142 -11.882 1.00 0.00 C ATOM 0 H ILE A 82 6.451 -5.203 -11.106 1.00 0.00 H new ATOM 0 HA ILE A 82 6.650 -5.315 -14.044 1.00 0.00 H new ATOM 0 HB ILE A 82 8.422 -3.690 -12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.321 -1.842 -13.776 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.007 -3.001 -13.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.378 -2.795 -14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.604 -4.556 -14.132 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.343 -3.893 -15.198 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.674 -1.332 -12.040 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.902 -2.948 -11.331 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.236 -1.771 -11.309 1.00 0.00 H new ATOM 1297 N LYS A 83 8.525 -6.963 -13.936 1.00 0.00 N ATOM 1298 CA LYS A 83 9.495 -8.049 -13.859 1.00 0.00 C ATOM 1299 C LYS A 83 9.246 -8.914 -12.627 1.00 0.00 C ATOM 1300 O LYS A 83 10.184 -9.426 -12.017 1.00 0.00 O ATOM 1301 CB LYS A 83 10.918 -7.488 -13.822 1.00 0.00 C ATOM 1302 CG LYS A 83 11.191 -6.452 -14.898 1.00 0.00 C ATOM 1303 CD LYS A 83 11.717 -7.094 -16.171 1.00 0.00 C ATOM 1304 CE LYS A 83 10.585 -7.461 -17.118 1.00 0.00 C ATOM 1305 NZ LYS A 83 11.029 -8.420 -18.167 1.00 0.00 N ATOM 0 H LYS A 83 8.160 -6.789 -14.873 1.00 0.00 H new ATOM 0 HA LYS A 83 9.379 -8.670 -14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.098 -7.041 -12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.626 -8.309 -13.932 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.275 -5.904 -15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.916 -5.726 -14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.402 -6.408 -16.669 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.287 -7.988 -15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.764 -7.898 -16.550 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.200 -6.558 -17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.229 -8.645 -18.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.796 -7.993 -18.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.373 -9.292 -17.717 1.00 0.00 H new ATOM 1319 N ALA A 84 7.976 -9.074 -12.268 1.00 0.00 N ATOM 1320 CA ALA A 84 7.605 -9.880 -11.112 1.00 0.00 C ATOM 1321 C ALA A 84 8.103 -9.246 -9.818 1.00 0.00 C ATOM 1322 O ALA A 84 8.698 -9.917 -8.974 1.00 0.00 O ATOM 1323 CB ALA A 84 8.153 -11.292 -11.255 1.00 0.00 C ATOM 0 H ALA A 84 7.187 -8.656 -12.761 1.00 0.00 H new ATOM 0 HA ALA A 84 6.517 -9.927 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.868 -11.883 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.744 -11.752 -12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.240 -11.255 -11.328 1.00 0.00 H new ATOM 1329 N VAL A 85 7.858 -7.948 -9.667 1.00 0.00 N ATOM 1330 CA VAL A 85 8.282 -7.223 -8.475 1.00 0.00 C ATOM 1331 C VAL A 85 7.203 -6.250 -8.012 1.00 0.00 C ATOM 1332 O VAL A 85 6.454 -5.704 -8.823 1.00 0.00 O ATOM 1333 CB VAL A 85 9.587 -6.444 -8.726 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.304 -5.164 -9.498 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.287 -6.140 -7.411 1.00 0.00 C ATOM 0 H VAL A 85 7.368 -7.377 -10.356 1.00 0.00 H new ATOM 0 HA VAL A 85 8.456 -7.966 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 85 10.250 -7.064 -9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.237 -4.627 -9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.849 -5.411 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.622 -4.536 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.207 -5.589 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.632 -5.539 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.525 -7.074 -6.901 1.00 0.00 H new ATOM 1345 N CYS A 86 7.130 -6.037 -6.702 1.00 0.00 N ATOM 1346 CA CYS A 86 6.142 -5.130 -6.129 1.00 0.00 C ATOM 1347 C CYS A 86 6.659 -3.695 -6.128 1.00 0.00 C ATOM 1348 O CYS A 86 7.535 -3.341 -5.339 1.00 0.00 O ATOM 1349 CB CYS A 86 5.790 -5.559 -4.704 1.00 0.00 C ATOM 1350 SG CYS A 86 4.115 -5.112 -4.191 1.00 0.00 S ATOM 0 H CYS A 86 7.743 -6.480 -6.018 1.00 0.00 H new ATOM 0 HA CYS A 86 5.244 -5.174 -6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.907 -6.640 -4.622 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.503 -5.108 -4.014 1.00 0.00 H new ATOM 0 HG CYS A 86 3.521 -6.155 -3.692 1.00 0.00 H new ATOM 1356 N CYS A 87 6.112 -2.874 -7.018 1.00 0.00 N ATOM 1357 CA CYS A 87 6.519 -1.477 -7.121 1.00 0.00 C ATOM 1358 C CYS A 87 5.509 -0.564 -6.433 1.00 0.00 C ATOM 1359 O CYS A 87 4.406 -0.350 -6.936 1.00 0.00 O ATOM 1360 CB CYS A 87 6.670 -1.076 -8.589 1.00 0.00 C ATOM 1361 SG CYS A 87 7.891 0.227 -8.876 1.00 0.00 S ATOM 0 H CYS A 87 5.386 -3.152 -7.678 1.00 0.00 H new ATOM 0 HA CYS A 87 7.481 -1.366 -6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.950 -1.956 -9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.703 -0.742 -8.965 1.00 0.00 H new ATOM 0 HG CYS A 87 7.949 0.496 -10.147 1.00 0.00 H new ATOM 1367 N LEU A 88 5.894 -0.029 -5.279 1.00 0.00 N ATOM 1368 CA LEU A 88 5.022 0.860 -4.520 1.00 0.00 C ATOM 1369 C LEU A 88 5.312 2.320 -4.851 1.00 0.00 C ATOM 1370 O LEU A 88 6.410 2.818 -4.600 1.00 0.00 O ATOM 1371 CB LEU A 88 5.198 0.620 -3.019 1.00 0.00 C ATOM 1372 CG LEU A 88 4.367 -0.514 -2.418 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.082 -1.846 -2.585 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.076 -0.242 -0.949 1.00 0.00 C ATOM 0 H LEU A 88 6.804 -0.196 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 88 3.991 0.642 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.251 0.414 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.952 1.542 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 88 3.418 -0.566 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.476 -2.641 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.237 -2.045 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.046 -1.807 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.484 -1.059 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.015 -0.163 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.521 0.691 -0.855 1.00 0.00 H new ATOM 1386 N SER A 89 4.320 3.003 -5.413 1.00 0.00 N ATOM 1387 CA SER A 89 4.469 4.406 -5.779 1.00 0.00 C ATOM 1388 C SER A 89 3.558 5.289 -4.932 1.00 0.00 C ATOM 1389 O SER A 89 2.337 5.135 -4.945 1.00 0.00 O ATOM 1390 CB SER A 89 4.153 4.604 -7.263 1.00 0.00 C ATOM 1391 OG SER A 89 3.624 5.897 -7.504 1.00 0.00 O ATOM 0 H SER A 89 3.404 2.607 -5.625 1.00 0.00 H new ATOM 0 HA SER A 89 5.503 4.696 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.059 4.462 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.438 3.849 -7.590 1.00 0.00 H new ATOM 0 HG SER A 89 3.432 5.999 -8.460 1.00 0.00 H new ATOM 1397 N VAL A 90 4.162 6.216 -4.194 1.00 0.00 N ATOM 1398 CA VAL A 90 3.407 7.125 -3.340 1.00 0.00 C ATOM 1399 C VAL A 90 3.283 8.504 -3.979 1.00 0.00 C ATOM 1400 O VAL A 90 4.283 9.178 -4.226 1.00 0.00 O ATOM 1401 CB VAL A 90 4.064 7.270 -1.955 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.203 8.131 -1.043 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.309 5.903 -1.336 1.00 0.00 C ATOM 0 H VAL A 90 5.172 6.357 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 90 2.413 6.693 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 90 5.027 7.765 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.683 8.222 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.084 9.121 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.224 7.667 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.774 6.025 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.360 5.379 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.969 5.324 -1.982 1.00 0.00 H new ATOM 1413 N VAL A 91 2.048 8.918 -4.245 1.00 0.00 N ATOM 1414 CA VAL A 91 1.793 10.218 -4.854 1.00 0.00 C ATOM 1415 C VAL A 91 1.056 11.141 -3.890 1.00 0.00 C ATOM 1416 O VAL A 91 0.000 10.793 -3.363 1.00 0.00 O ATOM 1417 CB VAL A 91 0.966 10.079 -6.147 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.694 11.446 -6.756 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.681 9.176 -7.141 1.00 0.00 C ATOM 0 H VAL A 91 1.209 8.372 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 91 2.764 10.650 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 91 0.008 9.622 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.109 11.328 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.138 12.057 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.640 11.934 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.083 9.089 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.653 9.603 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.819 8.188 -6.701 1.00 0.00 H new ATOM 1429 N LYS A 92 1.621 12.322 -3.663 1.00 0.00 N ATOM 1430 CA LYS A 92 1.019 13.299 -2.764 1.00 0.00 C ATOM 1431 C LYS A 92 0.189 14.315 -3.541 1.00 0.00 C ATOM 1432 O LYS A 92 0.732 15.211 -4.188 1.00 0.00 O ATOM 1433 CB LYS A 92 2.103 14.019 -1.959 1.00 0.00 C ATOM 1434 CG LYS A 92 1.583 14.687 -0.698 1.00 0.00 C ATOM 1435 CD LYS A 92 2.713 15.025 0.260 1.00 0.00 C ATOM 1436 CE LYS A 92 3.625 16.100 -0.310 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.935 17.416 -0.413 1.00 0.00 N ATOM 0 H LYS A 92 2.496 12.626 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 92 0.360 12.766 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.878 13.302 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.573 14.772 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.045 15.597 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.870 14.027 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.298 15.365 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.294 14.127 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.507 16.201 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.974 15.795 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.634 18.160 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.238 17.383 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.450 17.625 0.483 1.00 0.00 H new ATOM 1451 N SER A 93 -1.131 14.171 -3.473 1.00 0.00 N ATOM 1452 CA SER A 93 -2.036 15.076 -4.172 1.00 0.00 C ATOM 1453 C SER A 93 -2.935 15.815 -3.186 1.00 0.00 C ATOM 1454 O SER A 93 -3.579 15.202 -2.336 1.00 0.00 O ATOM 1455 CB SER A 93 -2.891 14.300 -5.176 1.00 0.00 C ATOM 1456 OG SER A 93 -3.927 15.113 -5.700 1.00 0.00 O ATOM 0 H SER A 93 -1.597 13.436 -2.941 1.00 0.00 H new ATOM 0 HA SER A 93 -1.434 15.810 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.263 13.937 -5.989 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.322 13.424 -4.691 1.00 0.00 H new ATOM 0 HG SER A 93 -4.458 14.594 -6.340 1.00 0.00 H new ATOM 1462 N GLY A 94 -2.973 17.139 -3.307 1.00 0.00 N ATOM 1463 CA GLY A 94 -3.795 17.942 -2.420 1.00 0.00 C ATOM 1464 C GLY A 94 -4.480 19.085 -3.142 1.00 0.00 C ATOM 1465 O GLY A 94 -3.948 20.191 -3.243 1.00 0.00 O ATOM 0 H GLY A 94 -2.449 17.670 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.548 17.307 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.175 18.342 -1.618 1.00 0.00 H new ATOM 1469 N PRO A 95 -5.688 18.823 -3.662 1.00 0.00 N ATOM 1470 CA PRO A 95 -6.472 19.826 -4.388 1.00 0.00 C ATOM 1471 C PRO A 95 -6.997 20.926 -3.472 1.00 0.00 C ATOM 1472 O PRO A 95 -7.658 21.861 -3.924 1.00 0.00 O ATOM 1473 CB PRO A 95 -7.633 19.016 -4.969 1.00 0.00 C ATOM 1474 CG PRO A 95 -7.772 17.844 -4.059 1.00 0.00 C ATOM 1475 CD PRO A 95 -6.382 17.527 -3.580 1.00 0.00 C ATOM 0 HA PRO A 95 -5.876 20.343 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.550 19.605 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.423 18.701 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.430 18.076 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.209 16.993 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.387 17.138 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.903 16.775 -4.207 1.00 0.00 H new ATOM 1483 N SER A 96 -6.697 20.809 -2.182 1.00 0.00 N ATOM 1484 CA SER A 96 -7.142 21.793 -1.202 1.00 0.00 C ATOM 1485 C SER A 96 -6.341 23.085 -1.328 1.00 0.00 C ATOM 1486 O SER A 96 -5.118 23.087 -1.193 1.00 0.00 O ATOM 1487 CB SER A 96 -7.004 21.230 0.215 1.00 0.00 C ATOM 1488 OG SER A 96 -8.177 20.537 0.604 1.00 0.00 O ATOM 0 H SER A 96 -6.148 20.043 -1.792 1.00 0.00 H new ATOM 0 HA SER A 96 -8.191 22.016 -1.397 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.148 20.557 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.808 22.042 0.915 1.00 0.00 H new ATOM 0 HG SER A 96 -8.063 20.185 1.512 1.00 0.00 H new ATOM 1494 N SER A 97 -7.042 24.185 -1.587 1.00 0.00 N ATOM 1495 CA SER A 97 -6.397 25.485 -1.735 1.00 0.00 C ATOM 1496 C SER A 97 -5.148 25.375 -2.604 1.00 0.00 C ATOM 1497 O SER A 97 -4.124 25.995 -2.319 1.00 0.00 O ATOM 1498 CB SER A 97 -6.031 26.055 -0.364 1.00 0.00 C ATOM 1499 OG SER A 97 -6.014 27.472 -0.389 1.00 0.00 O ATOM 0 H SER A 97 -8.056 24.202 -1.699 1.00 0.00 H new ATOM 0 HA SER A 97 -7.100 26.159 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.749 25.710 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.053 25.682 -0.061 1.00 0.00 H new ATOM 0 HG SER A 97 -5.779 27.812 0.500 1.00 0.00 H new ATOM 1505 N GLY A 98 -5.241 24.582 -3.667 1.00 0.00 N ATOM 1506 CA GLY A 98 -4.112 24.405 -4.562 1.00 0.00 C ATOM 1507 C GLY A 98 -2.853 23.984 -3.830 1.00 0.00 C ATOM 1508 O GLY A 98 -2.405 22.845 -3.957 1.00 0.00 O ATOM 0 H GLY A 98 -6.078 24.059 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.361 23.654 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.925 25.337 -5.094 1.00 0.00 H new TER 1512 GLY A 98