USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 392 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 39 CYS SG : rot -70:sc= 1.22 USER MOD Set 1.2: A 51 CYS SG : rot 150:sc= 1.21 USER MOD Set 2.1: A 27 ASN : amide:sc= 1.05 K(o=2,f=0.22) USER MOD Set 2.2: A 34 CYS SG : rot 107:sc= 1.15 USER MOD Set 2.3: A 60 CYS SG : rot -93:sc= -0.209 USER MOD Set 3.1: A 25 CYS SG : rot 73:sc= 0.184 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 38 CYS SG : rot -175:sc= -0.738 USER MOD Set 4.1: A 13 CYS SG : rot -125:sc= -0.105 USER MOD Set 4.2: A 42 CYS SG : rot 140:sc= 0.384 USER MOD Set 5.1: A 10 ASN : amide:sc= 0.516 K(o=1.7,f=-7.2!) USER MOD Set 5.2: A 12 ASN : amide:sc= 1.21 K(o=1.7,f=-0.54) USER MOD Set 6.1: A 1 THR OG1 : rot -157:sc= 0.0631 USER MOD Set 6.2: A 6 HIS : no HE2:sc= 0.859 K(o=0.92,f=-3.9!) USER MOD Single : A 1 THR N :NH3+ -136:sc= 0.185 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 169:sc= 0.0314 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.926 K(o=0.93,f=-0.018) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.724 K(o=0.72,f=-0.014) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.6) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.577 USER MOD Single : A 54 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.671 -2.737 10.776 1.00 0.00 N ATOM 2 CA THR A 1 -7.205 -1.380 10.591 1.00 0.00 C ATOM 3 C THR A 1 -7.756 -1.266 9.167 1.00 0.00 C ATOM 4 O THR A 1 -7.968 -2.299 8.527 1.00 0.00 O ATOM 5 CB THR A 1 -6.183 -0.301 11.013 1.00 0.00 C ATOM 6 OG1 THR A 1 -6.848 0.905 11.328 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.089 0.010 9.980 1.00 0.00 C ATOM 0 H1 THR A 1 -6.973 -3.106 11.701 1.00 0.00 H new ATOM 0 H2 THR A 1 -7.030 -3.357 10.022 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.632 -2.710 10.736 1.00 0.00 H new ATOM 0 HA THR A 1 -8.044 -1.190 11.261 1.00 0.00 H new ATOM 0 HB THR A 1 -5.679 -0.730 11.879 1.00 0.00 H new ATOM 0 HG1 THR A 1 -6.226 1.656 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.425 0.779 10.374 1.00 0.00 H new ATOM 0 HG22 THR A 1 -4.516 -0.894 9.774 1.00 0.00 H new ATOM 0 HG23 THR A 1 -5.549 0.365 9.058 1.00 0.00 H new ATOM 15 N ASP A 2 -7.955 -0.046 8.683 1.00 0.00 N ATOM 16 CA ASP A 2 -8.397 0.318 7.346 1.00 0.00 C ATOM 17 C ASP A 2 -7.443 1.415 6.840 1.00 0.00 C ATOM 18 O ASP A 2 -6.916 2.158 7.671 1.00 0.00 O ATOM 19 CB ASP A 2 -9.815 0.877 7.479 1.00 0.00 C ATOM 20 CG ASP A 2 -10.550 0.943 6.148 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.273 1.869 5.358 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.335 0.009 5.857 1.00 0.00 O ATOM 0 H ASP A 2 -7.798 0.778 9.263 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.394 -0.525 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.382 0.255 8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.768 1.876 7.913 1.00 0.00 H new ATOM 27 N PRO A 3 -7.195 1.567 5.530 1.00 0.00 N ATOM 28 CA PRO A 3 -6.348 2.630 4.989 1.00 0.00 C ATOM 29 C PRO A 3 -6.947 4.020 5.167 1.00 0.00 C ATOM 30 O PRO A 3 -6.218 5.004 5.098 1.00 0.00 O ATOM 31 CB PRO A 3 -6.219 2.330 3.496 1.00 0.00 C ATOM 32 CG PRO A 3 -7.456 1.497 3.173 1.00 0.00 C ATOM 33 CD PRO A 3 -7.651 0.708 4.460 1.00 0.00 C ATOM 0 HA PRO A 3 -5.394 2.642 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.191 3.247 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.302 1.783 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.319 2.121 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.296 0.845 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.698 0.438 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.082 -0.222 4.437 1.00 0.00 H new ATOM 41 N GLU A 4 -8.262 4.084 5.368 1.00 0.00 N ATOM 42 CA GLU A 4 -9.055 5.314 5.390 1.00 0.00 C ATOM 43 C GLU A 4 -8.393 6.426 6.220 1.00 0.00 C ATOM 44 O GLU A 4 -8.326 7.574 5.778 1.00 0.00 O ATOM 45 CB GLU A 4 -10.444 4.955 5.944 1.00 0.00 C ATOM 46 CG GLU A 4 -11.429 6.116 6.075 1.00 0.00 C ATOM 47 CD GLU A 4 -12.098 6.466 4.743 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.464 7.093 3.871 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.317 6.201 4.595 1.00 0.00 O ATOM 0 H GLU A 4 -8.827 3.249 5.526 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.134 5.714 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.888 4.198 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.316 4.500 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.195 5.859 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.905 6.992 6.457 1.00 0.00 H new ATOM 56 N GLU A 5 -7.905 6.094 7.417 1.00 0.00 N ATOM 57 CA GLU A 5 -7.433 7.063 8.408 1.00 0.00 C ATOM 58 C GLU A 5 -5.905 7.167 8.476 1.00 0.00 C ATOM 59 O GLU A 5 -5.360 7.793 9.392 1.00 0.00 O ATOM 60 CB GLU A 5 -8.032 6.722 9.777 1.00 0.00 C ATOM 61 CG GLU A 5 -9.564 6.779 9.801 1.00 0.00 C ATOM 62 CD GLU A 5 -10.069 6.880 11.238 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.792 5.977 12.067 1.00 0.00 O ATOM 64 OE2 GLU A 5 -10.693 7.905 11.595 1.00 0.00 O ATOM 0 H GLU A 5 -7.825 5.127 7.730 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.775 8.049 8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.708 5.723 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.638 7.415 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.912 7.637 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.975 5.888 9.326 1.00 0.00 H new ATOM 71 N HIS A 6 -5.201 6.526 7.547 1.00 0.00 N ATOM 72 CA HIS A 6 -3.786 6.238 7.665 1.00 0.00 C ATOM 73 C HIS A 6 -3.108 6.673 6.381 1.00 0.00 C ATOM 74 O HIS A 6 -3.327 6.075 5.324 1.00 0.00 O ATOM 75 CB HIS A 6 -3.619 4.750 7.951 1.00 0.00 C ATOM 76 CG HIS A 6 -4.010 4.398 9.360 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.212 4.541 10.469 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.255 4.034 9.789 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.968 4.281 11.548 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.213 3.928 11.180 1.00 0.00 N ATOM 0 H HIS A 6 -5.612 6.188 6.677 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.320 6.782 8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.228 4.176 7.252 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.582 4.463 7.780 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.225 4.798 10.472 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.118 3.859 9.163 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.624 4.346 12.570 1.00 0.00 H new ATOM 88 N PHE A 7 -2.371 7.780 6.435 1.00 0.00 N ATOM 89 CA PHE A 7 -1.767 8.366 5.259 1.00 0.00 C ATOM 90 C PHE A 7 -0.595 9.244 5.691 1.00 0.00 C ATOM 91 O PHE A 7 -0.810 10.289 6.314 1.00 0.00 O ATOM 92 CB PHE A 7 -2.838 9.172 4.501 1.00 0.00 C ATOM 93 CG PHE A 7 -2.655 9.260 3.002 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.429 8.942 2.383 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.763 9.609 2.209 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.301 9.005 0.993 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.627 9.688 0.817 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.389 9.422 0.220 1.00 0.00 C ATOM 0 H PHE A 7 -2.181 8.289 7.298 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.384 7.597 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.812 8.727 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.859 10.184 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.583 8.648 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.716 9.816 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.369 8.734 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.476 9.954 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.273 9.540 -0.847 1.00 0.00 H new ATOM 108 N ASP A 8 0.636 8.835 5.382 1.00 0.00 N ATOM 109 CA ASP A 8 1.843 9.556 5.782 1.00 0.00 C ATOM 110 C ASP A 8 2.950 9.376 4.722 1.00 0.00 C ATOM 111 O ASP A 8 3.954 8.703 4.980 1.00 0.00 O ATOM 112 CB ASP A 8 2.251 9.072 7.183 1.00 0.00 C ATOM 113 CG ASP A 8 3.152 10.054 7.929 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.625 11.055 7.345 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.338 9.825 9.149 1.00 0.00 O ATOM 0 H ASP A 8 0.824 7.989 4.844 1.00 0.00 H new ATOM 0 HA ASP A 8 1.661 10.629 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.352 8.895 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.766 8.116 7.093 1.00 0.00 H new ATOM 120 N PRO A 9 2.765 9.908 3.492 1.00 0.00 N ATOM 121 CA PRO A 9 3.698 9.706 2.390 1.00 0.00 C ATOM 122 C PRO A 9 5.073 10.307 2.675 1.00 0.00 C ATOM 123 O PRO A 9 5.265 11.138 3.572 1.00 0.00 O ATOM 124 CB PRO A 9 3.087 10.337 1.134 1.00 0.00 C ATOM 125 CG PRO A 9 1.781 10.981 1.580 1.00 0.00 C ATOM 126 CD PRO A 9 1.695 10.806 3.095 1.00 0.00 C ATOM 0 HA PRO A 9 3.855 8.636 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.760 11.078 0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.908 9.584 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.760 12.037 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.930 10.510 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.795 11.768 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.726 10.397 3.379 1.00 0.00 H new ATOM 134 N ASN A 10 6.015 9.931 1.813 1.00 0.00 N ATOM 135 CA ASN A 10 7.321 10.544 1.629 1.00 0.00 C ATOM 136 C ASN A 10 7.596 10.648 0.132 1.00 0.00 C ATOM 137 O ASN A 10 6.769 10.217 -0.669 1.00 0.00 O ATOM 138 CB ASN A 10 8.405 9.723 2.333 1.00 0.00 C ATOM 139 CG ASN A 10 8.825 8.472 1.570 1.00 0.00 C ATOM 140 OD1 ASN A 10 9.817 8.499 0.857 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.079 7.380 1.647 1.00 0.00 N ATOM 0 H ASN A 10 5.874 9.139 1.186 1.00 0.00 H new ATOM 0 HA ASN A 10 7.332 11.540 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.281 10.353 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.043 9.431 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.331 6.551 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.253 7.368 2.245 1.00 0.00 H new ATOM 148 N THR A 11 8.767 11.168 -0.239 1.00 0.00 N ATOM 149 CA THR A 11 9.134 11.480 -1.624 1.00 0.00 C ATOM 150 C THR A 11 9.161 10.247 -2.539 1.00 0.00 C ATOM 151 O THR A 11 9.120 10.380 -3.763 1.00 0.00 O ATOM 152 CB THR A 11 10.498 12.192 -1.650 1.00 0.00 C ATOM 153 OG1 THR A 11 11.502 11.340 -1.123 1.00 0.00 O ATOM 154 CG2 THR A 11 10.494 13.507 -0.864 1.00 0.00 C ATOM 0 H THR A 11 9.505 11.390 0.430 1.00 0.00 H new ATOM 0 HA THR A 11 8.358 12.136 -2.018 1.00 0.00 H new ATOM 0 HB THR A 11 10.708 12.429 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.367 11.801 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.481 13.965 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.756 14.185 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.242 13.308 0.178 1.00 0.00 H new ATOM 162 N ASN A 12 9.221 9.037 -1.976 1.00 0.00 N ATOM 163 CA ASN A 12 9.071 7.798 -2.731 1.00 0.00 C ATOM 164 C ASN A 12 7.695 7.729 -3.392 1.00 0.00 C ATOM 165 O ASN A 12 7.557 7.160 -4.473 1.00 0.00 O ATOM 166 CB ASN A 12 9.287 6.576 -1.823 1.00 0.00 C ATOM 167 CG ASN A 12 10.720 6.467 -1.312 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.625 7.128 -1.820 1.00 0.00 O ATOM 169 ND2 ASN A 12 10.971 5.654 -0.302 1.00 0.00 N ATOM 0 H ASN A 12 9.376 8.893 -0.978 1.00 0.00 H new ATOM 0 HA ASN A 12 9.831 7.787 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.606 6.635 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.032 5.670 -2.373 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.920 5.571 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.216 5.109 0.114 1.00 0.00 H new ATOM 176 N CYS A 13 6.681 8.306 -2.752 1.00 0.00 N ATOM 177 CA CYS A 13 5.293 8.306 -3.118 1.00 0.00 C ATOM 178 C CYS A 13 4.887 9.704 -3.598 1.00 0.00 C ATOM 179 O CYS A 13 5.604 10.683 -3.391 1.00 0.00 O ATOM 180 CB CYS A 13 4.558 7.838 -1.856 1.00 0.00 C ATOM 181 SG CYS A 13 4.251 6.057 -1.912 1.00 0.00 S ATOM 0 H CYS A 13 6.839 8.828 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 13 5.050 7.645 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.150 8.082 -0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.612 8.371 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 13 2.981 5.831 -1.755 1.00 0.00 H new ATOM 186 N ASP A 14 3.730 9.803 -4.250 1.00 0.00 N ATOM 187 CA ASP A 14 3.216 11.038 -4.847 1.00 0.00 C ATOM 188 C ASP A 14 1.707 11.135 -4.649 1.00 0.00 C ATOM 189 O ASP A 14 1.222 12.218 -4.312 1.00 0.00 O ATOM 190 CB ASP A 14 3.512 11.092 -6.355 1.00 0.00 C ATOM 191 CG ASP A 14 4.885 11.658 -6.715 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.225 12.796 -6.312 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.591 11.010 -7.522 1.00 0.00 O ATOM 0 H ASP A 14 3.107 9.007 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 14 3.715 11.871 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.430 10.085 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.746 11.696 -6.841 1.00 0.00 H new ATOM 198 N TYR A 15 0.988 10.020 -4.851 1.00 0.00 N ATOM 199 CA TYR A 15 -0.470 9.911 -4.839 1.00 0.00 C ATOM 200 C TYR A 15 -1.045 10.446 -3.521 1.00 0.00 C ATOM 201 O TYR A 15 -0.455 10.279 -2.448 1.00 0.00 O ATOM 202 CB TYR A 15 -0.880 8.444 -5.103 1.00 0.00 C ATOM 203 CG TYR A 15 -0.727 7.859 -6.503 1.00 0.00 C ATOM 204 CD1 TYR A 15 -0.212 8.594 -7.591 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.212 6.554 -6.727 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.267 8.061 -8.893 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.267 6.011 -8.022 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.837 6.787 -9.122 1.00 0.00 C ATOM 209 OH TYR A 15 -1.006 6.330 -10.394 1.00 0.00 O ATOM 0 H TYR A 15 1.438 9.124 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.888 10.527 -5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.304 7.817 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.928 8.342 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.225 9.567 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.547 5.961 -5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.129 8.629 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.635 5.007 -8.176 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.236 5.378 -10.372 1.00 0.00 H new ATOM 219 N THR A 16 -2.217 11.080 -3.606 1.00 0.00 N ATOM 220 CA THR A 16 -2.909 11.743 -2.503 1.00 0.00 C ATOM 221 C THR A 16 -4.338 11.195 -2.348 1.00 0.00 C ATOM 222 O THR A 16 -5.269 11.935 -2.015 1.00 0.00 O ATOM 223 CB THR A 16 -2.876 13.262 -2.726 1.00 0.00 C ATOM 224 OG1 THR A 16 -3.341 13.571 -4.025 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.483 13.865 -2.556 1.00 0.00 C ATOM 0 H THR A 16 -2.730 11.147 -4.485 1.00 0.00 H new ATOM 0 HA THR A 16 -2.399 11.532 -1.563 1.00 0.00 H new ATOM 0 HB THR A 16 -3.523 13.695 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.318 14.542 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.529 14.941 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.124 13.673 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.800 13.412 -3.275 1.00 0.00 H new ATOM 233 N ASN A 17 -4.543 9.897 -2.618 1.00 0.00 N ATOM 234 CA ASN A 17 -5.837 9.241 -2.388 1.00 0.00 C ATOM 235 C ASN A 17 -5.600 7.867 -1.778 1.00 0.00 C ATOM 236 O ASN A 17 -4.799 7.094 -2.310 1.00 0.00 O ATOM 237 CB ASN A 17 -6.694 9.033 -3.646 1.00 0.00 C ATOM 238 CG ASN A 17 -6.621 10.096 -4.725 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.576 10.834 -4.977 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.491 10.151 -5.397 1.00 0.00 N ATOM 0 H ASN A 17 -3.825 9.280 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.384 9.917 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.410 8.080 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.734 8.942 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.382 10.822 -6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.724 9.523 -5.157 1.00 0.00 H new ATOM 247 N SER A 18 -6.313 7.527 -0.711 1.00 0.00 N ATOM 248 CA SER A 18 -6.110 6.277 0.018 1.00 0.00 C ATOM 249 C SER A 18 -6.241 5.070 -0.922 1.00 0.00 C ATOM 250 O SER A 18 -5.356 4.218 -0.943 1.00 0.00 O ATOM 251 CB SER A 18 -7.057 6.214 1.231 1.00 0.00 C ATOM 252 OG SER A 18 -8.383 6.533 0.853 1.00 0.00 O ATOM 0 H SER A 18 -7.053 8.113 -0.324 1.00 0.00 H new ATOM 0 HA SER A 18 -5.093 6.243 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.029 5.216 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.717 6.908 2.000 1.00 0.00 H new ATOM 0 HG SER A 18 -8.967 6.485 1.638 1.00 0.00 H new ATOM 258 N GLN A 19 -7.306 5.011 -1.733 1.00 0.00 N ATOM 259 CA GLN A 19 -7.587 3.877 -2.613 1.00 0.00 C ATOM 260 C GLN A 19 -6.505 3.678 -3.675 1.00 0.00 C ATOM 261 O GLN A 19 -6.120 2.548 -3.934 1.00 0.00 O ATOM 262 CB GLN A 19 -8.929 4.082 -3.317 1.00 0.00 C ATOM 263 CG GLN A 19 -9.395 2.855 -4.120 1.00 0.00 C ATOM 264 CD GLN A 19 -10.033 1.801 -3.229 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.072 2.069 -2.635 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.463 0.614 -3.120 1.00 0.00 N ATOM 0 H GLN A 19 -8.000 5.756 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.612 2.988 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.687 4.328 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.851 4.937 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.111 3.169 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.544 2.420 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.599 0.415 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.887 -0.103 -2.532 1.00 0.00 H new ATOM 275 N ASP A 20 -6.075 4.742 -4.348 1.00 0.00 N ATOM 276 CA ASP A 20 -5.169 4.701 -5.496 1.00 0.00 C ATOM 277 C ASP A 20 -3.855 4.105 -5.027 1.00 0.00 C ATOM 278 O ASP A 20 -3.475 3.036 -5.500 1.00 0.00 O ATOM 279 CB ASP A 20 -4.998 6.119 -6.070 1.00 0.00 C ATOM 280 CG ASP A 20 -6.294 6.730 -6.638 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.314 6.777 -5.902 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.267 7.263 -7.773 1.00 0.00 O ATOM 0 H ASP A 20 -6.357 5.691 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.568 4.081 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.614 6.772 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.246 6.092 -6.859 1.00 0.00 H new ATOM 287 N ALA A 21 -3.178 4.725 -4.054 1.00 0.00 N ATOM 288 CA ALA A 21 -1.931 4.141 -3.574 1.00 0.00 C ATOM 289 C ALA A 21 -2.176 2.747 -2.991 1.00 0.00 C ATOM 290 O ALA A 21 -1.362 1.860 -3.222 1.00 0.00 O ATOM 291 CB ALA A 21 -1.213 5.034 -2.569 1.00 0.00 C ATOM 0 H ALA A 21 -3.460 5.595 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.271 4.049 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.292 4.550 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.976 5.990 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.857 5.202 -1.706 1.00 0.00 H new ATOM 297 N TRP A 22 -3.288 2.514 -2.280 1.00 0.00 N ATOM 298 CA TRP A 22 -3.616 1.192 -1.753 1.00 0.00 C ATOM 299 C TRP A 22 -3.644 0.149 -2.872 1.00 0.00 C ATOM 300 O TRP A 22 -2.927 -0.842 -2.798 1.00 0.00 O ATOM 301 CB TRP A 22 -4.958 1.223 -1.016 1.00 0.00 C ATOM 302 CG TRP A 22 -5.459 -0.090 -0.516 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.227 -0.963 -1.203 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.270 -0.674 0.797 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.529 -2.045 -0.402 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.978 -1.908 0.856 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.588 -0.255 1.954 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -5.997 -2.690 2.021 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.675 -0.985 3.149 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.351 -2.212 3.172 1.00 0.00 C ATOM 0 H TRP A 22 -3.977 3.233 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.838 0.909 -1.044 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.869 1.902 -0.168 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.708 1.645 -1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.555 -0.834 -2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.088 -2.844 -0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.988 0.643 1.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.501 -3.645 2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.221 -0.601 4.051 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.375 -2.794 4.081 1.00 0.00 H new ATOM 321 N ASP A 23 -4.464 0.325 -3.906 1.00 0.00 N ATOM 322 CA ASP A 23 -4.654 -0.643 -4.987 1.00 0.00 C ATOM 323 C ASP A 23 -3.291 -0.975 -5.592 1.00 0.00 C ATOM 324 O ASP A 23 -2.908 -2.141 -5.733 1.00 0.00 O ATOM 325 CB ASP A 23 -5.568 -0.081 -6.089 1.00 0.00 C ATOM 326 CG ASP A 23 -7.066 -0.006 -5.766 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.573 -0.616 -4.794 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.781 0.686 -6.526 1.00 0.00 O ATOM 0 H ASP A 23 -5.030 1.166 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.125 -1.535 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.223 0.922 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.442 -0.694 -6.982 1.00 0.00 H new ATOM 333 N TYR A 24 -2.519 0.066 -5.901 1.00 0.00 N ATOM 334 CA TYR A 24 -1.191 -0.089 -6.449 1.00 0.00 C ATOM 335 C TYR A 24 -0.306 -0.882 -5.471 1.00 0.00 C ATOM 336 O TYR A 24 0.251 -1.915 -5.851 1.00 0.00 O ATOM 337 CB TYR A 24 -0.631 1.293 -6.809 1.00 0.00 C ATOM 338 CG TYR A 24 -1.094 1.840 -8.149 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.429 2.239 -8.372 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.158 1.953 -9.193 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.814 2.733 -9.628 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.538 2.428 -10.458 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.876 2.817 -10.683 1.00 0.00 C ATOM 344 OH TYR A 24 -2.258 3.238 -11.920 1.00 0.00 O ATOM 0 H TYR A 24 -2.805 1.037 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.216 -0.671 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.913 1.998 -6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.458 1.239 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.155 2.164 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.869 1.670 -9.018 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.833 3.051 -9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.189 2.495 -11.254 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.483 3.235 -12.520 1.00 0.00 H new ATOM 354 N CYS A 25 -0.172 -0.457 -4.211 1.00 0.00 N ATOM 355 CA CYS A 25 0.628 -1.108 -3.162 1.00 0.00 C ATOM 356 C CYS A 25 0.291 -2.592 -3.022 1.00 0.00 C ATOM 357 O CYS A 25 1.175 -3.423 -2.807 1.00 0.00 O ATOM 358 CB CYS A 25 0.382 -0.459 -1.792 1.00 0.00 C ATOM 359 SG CYS A 25 1.095 1.178 -1.528 1.00 0.00 S ATOM 0 H CYS A 25 -0.637 0.387 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 25 1.668 -0.989 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.695 -0.390 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.772 -1.127 -1.024 1.00 0.00 H new ATOM 0 HG CYS A 25 0.423 2.059 -2.208 1.00 0.00 H new ATOM 364 N THR A 26 -0.993 -2.917 -3.113 1.00 0.00 N ATOM 365 CA THR A 26 -1.568 -4.223 -2.826 1.00 0.00 C ATOM 366 C THR A 26 -1.561 -5.115 -4.081 1.00 0.00 C ATOM 367 O THR A 26 -1.996 -6.270 -4.043 1.00 0.00 O ATOM 368 CB THR A 26 -2.915 -3.999 -2.131 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.847 -3.360 -2.968 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.724 -3.181 -0.842 1.00 0.00 C ATOM 0 H THR A 26 -1.697 -2.239 -3.405 1.00 0.00 H new ATOM 0 HA THR A 26 -0.967 -4.804 -2.126 1.00 0.00 H new ATOM 0 HB THR A 26 -3.314 -4.983 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.767 -2.389 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.690 -3.030 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.061 -3.719 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.286 -2.213 -1.087 1.00 0.00 H new ATOM 378 N ASN A 27 -0.979 -4.620 -5.189 1.00 0.00 N ATOM 379 CA ASN A 27 -0.747 -5.322 -6.457 1.00 0.00 C ATOM 380 C ASN A 27 -2.046 -5.678 -7.191 1.00 0.00 C ATOM 381 O ASN A 27 -2.000 -6.253 -8.275 1.00 0.00 O ATOM 382 CB ASN A 27 0.252 -6.468 -6.224 1.00 0.00 C ATOM 383 CG ASN A 27 0.625 -7.362 -7.409 1.00 0.00 C ATOM 384 OD1 ASN A 27 -0.090 -8.238 -7.878 1.00 0.00 O ATOM 385 ND2 ASN A 27 1.874 -7.268 -7.816 1.00 0.00 N ATOM 0 H ASN A 27 -0.638 -3.659 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.271 -4.654 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.172 -6.032 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.154 -7.108 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.234 -7.920 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.482 -6.543 -7.434 1.00 0.00 H new ATOM 392 N TYR A 28 -3.178 -5.168 -6.690 1.00 0.00 N ATOM 393 CA TYR A 28 -4.430 -4.982 -7.418 1.00 0.00 C ATOM 394 C TYR A 28 -4.137 -4.392 -8.805 1.00 0.00 C ATOM 395 O TYR A 28 -4.762 -4.782 -9.791 1.00 0.00 O ATOM 396 CB TYR A 28 -5.283 -4.015 -6.579 1.00 0.00 C ATOM 397 CG TYR A 28 -6.765 -3.913 -6.856 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.663 -4.731 -6.150 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.257 -2.856 -7.641 1.00 0.00 C ATOM 400 CE1 TYR A 28 -9.047 -4.496 -6.220 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.630 -2.606 -7.723 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.532 -3.419 -6.998 1.00 0.00 C ATOM 403 OH TYR A 28 -10.849 -3.085 -6.962 1.00 0.00 O ATOM 0 H TYR A 28 -3.244 -4.861 -5.720 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.956 -5.925 -7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.163 -4.294 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.858 -3.018 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.287 -5.546 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.567 -2.230 -8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.735 -5.133 -5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.000 -1.797 -8.336 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.009 -2.322 -7.555 1.00 0.00 H new ATOM 413 N ILE A 29 -3.147 -3.494 -8.892 1.00 0.00 N ATOM 414 CA ILE A 29 -2.664 -2.870 -10.112 1.00 0.00 C ATOM 415 C ILE A 29 -1.182 -3.227 -10.268 1.00 0.00 C ATOM 416 O ILE A 29 -0.352 -2.910 -9.405 1.00 0.00 O ATOM 417 CB ILE A 29 -2.983 -1.358 -10.090 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.506 -1.122 -9.950 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.426 -0.646 -11.329 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.376 -1.618 -11.114 1.00 0.00 C ATOM 0 H ILE A 29 -2.641 -3.173 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.171 -3.244 -11.002 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.489 -0.927 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.846 -1.609 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.677 -0.053 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.670 0.415 -11.279 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.343 -0.769 -11.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.869 -1.078 -12.227 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.423 -1.399 -10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.076 -1.114 -12.033 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.247 -2.694 -11.232 1.00 0.00 H new ATOM 432 N VAL A 30 -0.856 -3.943 -11.345 1.00 0.00 N ATOM 433 CA VAL A 30 0.503 -4.291 -11.747 1.00 0.00 C ATOM 434 C VAL A 30 1.285 -3.026 -12.103 1.00 0.00 C ATOM 435 O VAL A 30 1.000 -2.366 -13.102 1.00 0.00 O ATOM 436 CB VAL A 30 0.461 -5.386 -12.839 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.600 -5.380 -13.866 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.506 -6.722 -12.093 1.00 0.00 C ATOM 0 H VAL A 30 -1.561 -4.310 -11.985 1.00 0.00 H new ATOM 0 HA VAL A 30 1.059 -4.736 -10.922 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.438 -5.205 -13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.455 -6.195 -14.575 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.603 -4.430 -14.400 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.553 -5.511 -13.353 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.479 -7.541 -12.812 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.424 -6.782 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.353 -6.796 -11.427 1.00 0.00 H new ATOM 448 N ASN A 31 2.259 -2.681 -11.255 1.00 0.00 N ATOM 449 CA ASN A 31 3.106 -1.491 -11.386 1.00 0.00 C ATOM 450 C ASN A 31 4.542 -1.692 -10.874 1.00 0.00 C ATOM 451 O ASN A 31 5.338 -0.761 -10.968 1.00 0.00 O ATOM 452 CB ASN A 31 2.459 -0.285 -10.689 1.00 0.00 C ATOM 453 CG ASN A 31 2.605 -0.350 -9.181 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.476 0.284 -8.602 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.756 -1.105 -8.510 1.00 0.00 N ATOM 0 H ASN A 31 2.487 -3.240 -10.433 1.00 0.00 H new ATOM 0 HA ASN A 31 3.185 -1.299 -12.456 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.916 0.634 -11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.401 -0.242 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.821 -1.166 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.035 -1.628 -9.007 1.00 0.00 H new ATOM 462 N SER A 32 4.897 -2.883 -10.367 1.00 0.00 N ATOM 463 CA SER A 32 6.210 -3.172 -9.780 1.00 0.00 C ATOM 464 C SER A 32 6.704 -2.072 -8.822 1.00 0.00 C ATOM 465 O SER A 32 7.694 -1.390 -9.080 1.00 0.00 O ATOM 466 CB SER A 32 7.230 -3.500 -10.884 1.00 0.00 C ATOM 467 OG SER A 32 7.066 -4.836 -11.324 1.00 0.00 O ATOM 0 H SER A 32 4.267 -3.685 -10.354 1.00 0.00 H new ATOM 0 HA SER A 32 6.098 -4.056 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.101 -2.816 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.243 -3.356 -10.507 1.00 0.00 H new ATOM 0 HG SER A 32 7.720 -5.031 -12.027 1.00 0.00 H new ATOM 473 N SER A 33 6.030 -1.940 -7.683 1.00 0.00 N ATOM 474 CA SER A 33 6.523 -1.214 -6.513 1.00 0.00 C ATOM 475 C SER A 33 5.969 -1.881 -5.240 1.00 0.00 C ATOM 476 O SER A 33 6.650 -1.924 -4.216 1.00 0.00 O ATOM 477 CB SER A 33 6.156 0.276 -6.648 1.00 0.00 C ATOM 478 OG SER A 33 7.162 1.121 -6.111 1.00 0.00 O ATOM 0 H SER A 33 5.104 -2.344 -7.543 1.00 0.00 H new ATOM 0 HA SER A 33 7.610 -1.258 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.002 0.518 -7.700 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.212 0.465 -6.136 1.00 0.00 H new ATOM 0 HG SER A 33 6.893 2.058 -6.217 1.00 0.00 H new ATOM 484 N CYS A 34 4.784 -2.494 -5.369 1.00 0.00 N ATOM 485 CA CYS A 34 3.971 -3.259 -4.428 1.00 0.00 C ATOM 486 C CYS A 34 4.771 -4.117 -3.439 1.00 0.00 C ATOM 487 O CYS A 34 5.809 -4.691 -3.789 1.00 0.00 O ATOM 488 CB CYS A 34 3.063 -4.150 -5.296 1.00 0.00 C ATOM 489 SG CYS A 34 3.994 -5.234 -6.424 1.00 0.00 S ATOM 0 H CYS A 34 4.311 -2.454 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 34 3.420 -2.566 -3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.437 -4.763 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.394 -3.518 -5.879 1.00 0.00 H new ATOM 0 HG CYS A 34 3.931 -6.460 -5.997 1.00 0.00 H new ATOM 494 N GLY A 35 4.236 -4.264 -2.224 1.00 0.00 N ATOM 495 CA GLY A 35 4.853 -4.968 -1.104 1.00 0.00 C ATOM 496 C GLY A 35 4.911 -4.082 0.141 1.00 0.00 C ATOM 497 O GLY A 35 4.316 -3.001 0.162 1.00 0.00 O ATOM 0 H GLY A 35 3.322 -3.878 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.287 -5.873 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.860 -5.281 -1.378 1.00 0.00 H new ATOM 501 N GLU A 36 5.571 -4.553 1.211 1.00 0.00 N ATOM 502 CA GLU A 36 5.571 -3.894 2.517 1.00 0.00 C ATOM 503 C GLU A 36 6.200 -2.503 2.451 1.00 0.00 C ATOM 504 O GLU A 36 5.752 -1.587 3.135 1.00 0.00 O ATOM 505 CB GLU A 36 6.274 -4.770 3.574 1.00 0.00 C ATOM 506 CG GLU A 36 7.809 -4.867 3.474 1.00 0.00 C ATOM 507 CD GLU A 36 8.418 -5.745 4.575 1.00 0.00 C ATOM 508 OE1 GLU A 36 8.568 -5.239 5.713 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.669 -6.945 4.337 1.00 0.00 O ATOM 0 H GLU A 36 6.123 -5.410 1.189 1.00 0.00 H new ATOM 0 HA GLU A 36 4.531 -3.764 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.020 -4.384 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.863 -5.778 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.081 -5.272 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.237 -3.866 3.534 1.00 0.00 H new ATOM 516 N ILE A 37 7.216 -2.342 1.606 1.00 0.00 N ATOM 517 CA ILE A 37 7.906 -1.082 1.381 1.00 0.00 C ATOM 518 C ILE A 37 6.918 -0.106 0.754 1.00 0.00 C ATOM 519 O ILE A 37 6.811 1.025 1.207 1.00 0.00 O ATOM 520 CB ILE A 37 9.158 -1.315 0.526 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.098 -2.227 1.343 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.801 0.032 0.125 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.433 -2.462 0.665 1.00 0.00 C ATOM 0 H ILE A 37 7.589 -3.108 1.045 1.00 0.00 H new ATOM 0 HA ILE A 37 8.258 -0.648 2.317 1.00 0.00 H new ATOM 0 HB ILE A 37 8.920 -1.808 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.268 -1.780 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.608 -3.186 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.688 -0.154 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.085 0.620 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.084 0.582 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.049 -3.110 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.271 -2.937 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.941 -1.508 0.521 1.00 0.00 H new ATOM 535 N CYS A 38 6.158 -0.533 -0.254 1.00 0.00 N ATOM 536 CA CYS A 38 5.201 0.342 -0.904 1.00 0.00 C ATOM 537 C CYS A 38 4.116 0.804 0.066 1.00 0.00 C ATOM 538 O CYS A 38 3.710 1.967 0.013 1.00 0.00 O ATOM 539 CB CYS A 38 4.596 -0.356 -2.113 1.00 0.00 C ATOM 540 SG CYS A 38 4.541 0.744 -3.533 1.00 0.00 S ATOM 0 H CYS A 38 6.191 -1.479 -0.633 1.00 0.00 H new ATOM 0 HA CYS A 38 5.728 1.234 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.183 -1.241 -2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.589 -0.697 -1.874 1.00 0.00 H new ATOM 0 HG CYS A 38 3.927 0.154 -4.515 1.00 0.00 H new ATOM 545 N CYS A 39 3.677 -0.089 0.966 1.00 0.00 N ATOM 546 CA CYS A 39 2.850 0.278 2.096 1.00 0.00 C ATOM 547 C CYS A 39 3.559 1.371 2.890 1.00 0.00 C ATOM 548 O CYS A 39 3.029 2.470 2.960 1.00 0.00 O ATOM 549 CB CYS A 39 2.556 -0.945 2.966 1.00 0.00 C ATOM 550 SG CYS A 39 1.921 -2.428 2.141 1.00 0.00 S ATOM 0 H CYS A 39 3.893 -1.085 0.919 1.00 0.00 H new ATOM 0 HA CYS A 39 1.891 0.661 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.475 -1.217 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.835 -0.650 3.728 1.00 0.00 H new ATOM 0 HG CYS A 39 0.703 -2.214 1.740 1.00 0.00 H new ATOM 555 N ASN A 40 4.754 1.099 3.427 1.00 0.00 N ATOM 556 CA ASN A 40 5.530 2.012 4.262 1.00 0.00 C ATOM 557 C ASN A 40 5.734 3.377 3.584 1.00 0.00 C ATOM 558 O ASN A 40 5.947 4.389 4.250 1.00 0.00 O ATOM 559 CB ASN A 40 6.927 1.405 4.501 1.00 0.00 C ATOM 560 CG ASN A 40 7.094 0.622 5.788 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.102 0.728 6.479 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.161 -0.252 6.105 1.00 0.00 N ATOM 0 H ASN A 40 5.221 0.203 3.284 1.00 0.00 H new ATOM 0 HA ASN A 40 4.980 2.154 5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.165 0.748 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.660 2.212 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.275 -0.844 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.324 -0.337 5.528 1.00 0.00 H new ATOM 569 N ASP A 41 5.791 3.403 2.253 1.00 0.00 N ATOM 570 CA ASP A 41 6.143 4.567 1.459 1.00 0.00 C ATOM 571 C ASP A 41 5.012 5.598 1.429 1.00 0.00 C ATOM 572 O ASP A 41 5.308 6.796 1.429 1.00 0.00 O ATOM 573 CB ASP A 41 6.536 4.147 0.033 1.00 0.00 C ATOM 574 CG ASP A 41 7.959 3.638 -0.126 1.00 0.00 C ATOM 575 OD1 ASP A 41 8.849 4.105 0.626 1.00 0.00 O ATOM 576 OD2 ASP A 41 8.200 2.904 -1.116 1.00 0.00 O ATOM 0 H ASP A 41 5.585 2.582 1.683 1.00 0.00 H new ATOM 0 HA ASP A 41 7.002 5.042 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.850 3.368 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.397 5.000 -0.631 1.00 0.00 H new ATOM 581 N CYS A 42 3.743 5.163 1.425 1.00 0.00 N ATOM 582 CA CYS A 42 2.572 6.053 1.430 1.00 0.00 C ATOM 583 C CYS A 42 1.866 6.049 2.790 1.00 0.00 C ATOM 584 O CYS A 42 1.310 7.064 3.209 1.00 0.00 O ATOM 585 CB CYS A 42 1.550 5.653 0.351 1.00 0.00 C ATOM 586 SG CYS A 42 1.196 6.934 -0.879 1.00 0.00 S ATOM 0 H CYS A 42 3.498 4.173 1.418 1.00 0.00 H new ATOM 0 HA CYS A 42 2.951 7.053 1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.917 4.766 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.617 5.373 0.841 1.00 0.00 H new ATOM 0 HG CYS A 42 1.095 6.390 -2.055 1.00 0.00 H new ATOM 591 N PHE A 43 1.839 4.899 3.457 1.00 0.00 N ATOM 592 CA PHE A 43 1.146 4.666 4.707 1.00 0.00 C ATOM 593 C PHE A 43 2.166 4.715 5.840 1.00 0.00 C ATOM 594 O PHE A 43 3.293 4.222 5.728 1.00 0.00 O ATOM 595 CB PHE A 43 0.431 3.299 4.668 1.00 0.00 C ATOM 596 CG PHE A 43 -0.707 3.204 3.667 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.999 3.575 4.071 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.493 2.781 2.336 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.057 3.572 3.151 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.559 2.760 1.418 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.842 3.167 1.824 1.00 0.00 C ATOM 0 H PHE A 43 2.325 4.068 3.119 1.00 0.00 H new ATOM 0 HA PHE A 43 0.389 5.433 4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.165 2.527 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.041 3.080 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.179 3.864 5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.493 2.472 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.043 3.883 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.392 2.432 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.659 3.168 1.118 1.00 0.00 H new ATOM 611 N ASP A 44 1.722 5.231 6.978 1.00 0.00 N ATOM 612 CA ASP A 44 2.338 5.006 8.277 1.00 0.00 C ATOM 613 C ASP A 44 2.367 3.511 8.586 1.00 0.00 C ATOM 614 O ASP A 44 1.656 2.710 7.966 1.00 0.00 O ATOM 615 CB ASP A 44 1.559 5.743 9.378 1.00 0.00 C ATOM 616 CG ASP A 44 0.058 5.482 9.360 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.609 5.832 8.364 1.00 0.00 O ATOM 618 OD2 ASP A 44 -0.452 4.933 10.359 1.00 0.00 O ATOM 0 H ASP A 44 0.901 5.834 7.023 1.00 0.00 H new ATOM 0 HA ASP A 44 3.357 5.392 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.957 5.448 10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.732 6.814 9.275 1.00 0.00 H new ATOM 623 N GLU A 45 3.170 3.114 9.577 1.00 0.00 N ATOM 624 CA GLU A 45 3.306 1.717 9.956 1.00 0.00 C ATOM 625 C GLU A 45 1.967 1.145 10.433 1.00 0.00 C ATOM 626 O GLU A 45 1.686 -0.042 10.237 1.00 0.00 O ATOM 627 CB GLU A 45 4.434 1.536 10.980 1.00 0.00 C ATOM 628 CG GLU A 45 4.150 1.964 12.427 1.00 0.00 C ATOM 629 CD GLU A 45 5.255 1.503 13.377 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.241 2.256 13.552 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.128 0.400 13.958 1.00 0.00 O ATOM 0 H GLU A 45 3.739 3.753 10.133 1.00 0.00 H new ATOM 0 HA GLU A 45 3.591 1.141 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.715 0.483 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.301 2.094 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.058 3.049 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.195 1.548 12.749 1.00 0.00 H new ATOM 638 N THR A 46 1.117 1.994 11.015 1.00 0.00 N ATOM 639 CA THR A 46 -0.172 1.546 11.524 1.00 0.00 C ATOM 640 C THR A 46 -1.094 1.198 10.346 1.00 0.00 C ATOM 641 O THR A 46 -1.613 0.076 10.302 1.00 0.00 O ATOM 642 CB THR A 46 -0.728 2.566 12.533 1.00 0.00 C ATOM 643 OG1 THR A 46 0.224 2.735 13.571 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.045 2.116 13.158 1.00 0.00 C ATOM 0 H THR A 46 1.301 2.989 11.143 1.00 0.00 H new ATOM 0 HA THR A 46 -0.077 0.623 12.096 1.00 0.00 H new ATOM 0 HB THR A 46 -0.915 3.495 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.114 3.384 14.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.391 2.873 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.791 1.979 12.375 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.895 1.173 13.684 1.00 0.00 H new ATOM 652 N GLY A 47 -1.235 2.081 9.351 1.00 0.00 N ATOM 653 CA GLY A 47 -1.982 1.774 8.130 1.00 0.00 C ATOM 654 C GLY A 47 -1.382 0.596 7.376 1.00 0.00 C ATOM 655 O GLY A 47 -2.098 -0.278 6.873 1.00 0.00 O ATOM 0 H GLY A 47 -0.838 3.020 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.018 1.551 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.994 2.651 7.482 1.00 0.00 H new ATOM 659 N THR A 48 -0.052 0.549 7.327 1.00 0.00 N ATOM 660 CA THR A 48 0.702 -0.508 6.692 1.00 0.00 C ATOM 661 C THR A 48 0.240 -1.874 7.189 1.00 0.00 C ATOM 662 O THR A 48 0.028 -2.737 6.348 1.00 0.00 O ATOM 663 CB THR A 48 2.203 -0.246 6.888 1.00 0.00 C ATOM 664 OG1 THR A 48 2.623 0.802 6.046 1.00 0.00 O ATOM 665 CG2 THR A 48 3.113 -1.442 6.637 1.00 0.00 C ATOM 0 H THR A 48 0.539 1.269 7.742 1.00 0.00 H new ATOM 0 HA THR A 48 0.519 -0.516 5.618 1.00 0.00 H new ATOM 0 HB THR A 48 2.300 0.005 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.410 1.663 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.150 -1.151 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.849 -2.250 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.991 -1.782 5.609 1.00 0.00 H new ATOM 673 N GLY A 49 -0.005 -2.103 8.482 1.00 0.00 N ATOM 674 CA GLY A 49 -0.374 -3.443 8.948 1.00 0.00 C ATOM 675 C GLY A 49 -1.724 -3.966 8.416 1.00 0.00 C ATOM 676 O GLY A 49 -2.104 -5.095 8.726 1.00 0.00 O ATOM 0 H GLY A 49 0.044 -1.393 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.410 -4.142 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.407 -3.437 10.037 1.00 0.00 H new ATOM 680 N ALA A 50 -2.474 -3.185 7.632 1.00 0.00 N ATOM 681 CA ALA A 50 -3.577 -3.650 6.796 1.00 0.00 C ATOM 682 C ALA A 50 -3.120 -3.824 5.353 1.00 0.00 C ATOM 683 O ALA A 50 -3.368 -4.867 4.749 1.00 0.00 O ATOM 684 CB ALA A 50 -4.698 -2.611 6.874 1.00 0.00 C ATOM 0 H ALA A 50 -2.322 -2.179 7.562 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.931 -4.618 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.537 -2.934 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.027 -2.507 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.330 -1.651 6.512 1.00 0.00 H new ATOM 690 N CYS A 51 -2.440 -2.819 4.803 1.00 0.00 N ATOM 691 CA CYS A 51 -2.004 -2.790 3.423 1.00 0.00 C ATOM 692 C CYS A 51 -1.055 -3.953 3.162 1.00 0.00 C ATOM 693 O CYS A 51 -1.087 -4.553 2.092 1.00 0.00 O ATOM 694 CB CYS A 51 -1.386 -1.417 3.144 1.00 0.00 C ATOM 695 SG CYS A 51 -1.138 -0.999 1.402 1.00 0.00 S ATOM 0 H CYS A 51 -2.174 -1.984 5.326 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.838 -2.920 2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.024 -0.655 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.422 -1.365 3.651 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.235 0.288 1.247 1.00 0.00 H new ATOM 700 N ARG A 52 -0.276 -4.359 4.172 1.00 0.00 N ATOM 701 CA ARG A 52 0.595 -5.502 4.067 1.00 0.00 C ATOM 702 C ARG A 52 -0.185 -6.760 3.802 1.00 0.00 C ATOM 703 O ARG A 52 0.230 -7.451 2.896 1.00 0.00 O ATOM 704 CB ARG A 52 1.487 -5.734 5.280 1.00 0.00 C ATOM 705 CG ARG A 52 2.551 -4.648 5.401 1.00 0.00 C ATOM 706 CD ARG A 52 3.627 -4.956 6.437 1.00 0.00 C ATOM 707 NE ARG A 52 4.521 -6.018 5.969 1.00 0.00 N ATOM 708 CZ ARG A 52 5.631 -6.413 6.598 1.00 0.00 C ATOM 709 NH1 ARG A 52 6.061 -5.809 7.697 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.311 -7.425 6.091 1.00 0.00 N ATOM 0 H ARG A 52 -0.243 -3.894 5.079 1.00 0.00 H new ATOM 0 HA ARG A 52 1.247 -5.265 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.878 -5.752 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.967 -6.709 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.025 -4.506 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.068 -3.706 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.205 -4.055 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.159 -5.257 7.374 1.00 0.00 H new ATOM 0 HE ARG A 52 4.278 -6.491 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.541 -5.021 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.912 -6.132 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.985 -7.883 5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.163 -7.748 6.550 1.00 0.00 H new ATOM 724 N ALA A 53 -1.263 -7.066 4.532 1.00 0.00 N ATOM 725 CA ALA A 53 -2.065 -8.258 4.244 1.00 0.00 C ATOM 726 C ALA A 53 -2.450 -8.245 2.767 1.00 0.00 C ATOM 727 O ALA A 53 -2.102 -9.152 2.008 1.00 0.00 O ATOM 728 CB ALA A 53 -3.316 -8.322 5.126 1.00 0.00 C ATOM 0 H ALA A 53 -1.597 -6.510 5.319 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.472 -9.145 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.886 -9.219 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.021 -8.351 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.933 -7.441 4.947 1.00 0.00 H new ATOM 734 N GLN A 54 -3.067 -7.145 2.332 1.00 0.00 N ATOM 735 CA GLN A 54 -3.462 -6.996 0.938 1.00 0.00 C ATOM 736 C GLN A 54 -2.272 -6.966 -0.048 1.00 0.00 C ATOM 737 O GLN A 54 -2.493 -7.052 -1.251 1.00 0.00 O ATOM 738 CB GLN A 54 -4.350 -5.755 0.781 1.00 0.00 C ATOM 739 CG GLN A 54 -5.340 -5.884 -0.396 1.00 0.00 C ATOM 740 CD GLN A 54 -6.526 -6.785 -0.042 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.688 -7.183 1.108 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.410 -7.133 -0.963 1.00 0.00 N ATOM 0 H GLN A 54 -3.302 -6.349 2.925 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.030 -7.888 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.906 -5.591 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.721 -4.878 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.705 -4.895 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.822 -6.289 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.296 -6.814 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.205 -7.720 -0.711 1.00 0.00 H new ATOM 751 N ALA A 55 -1.018 -6.882 0.399 1.00 0.00 N ATOM 752 CA ALA A 55 0.165 -7.000 -0.442 1.00 0.00 C ATOM 753 C ALA A 55 0.994 -8.248 -0.101 1.00 0.00 C ATOM 754 O ALA A 55 2.084 -8.389 -0.630 1.00 0.00 O ATOM 755 CB ALA A 55 1.048 -5.754 -0.316 1.00 0.00 C ATOM 0 H ALA A 55 -0.796 -6.726 1.382 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.188 -7.095 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.926 -5.864 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.483 -4.875 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.364 -5.635 0.720 1.00 0.00 H new ATOM 761 N PHE A 56 0.539 -9.135 0.781 1.00 0.00 N ATOM 762 CA PHE A 56 1.285 -10.286 1.270 1.00 0.00 C ATOM 763 C PHE A 56 0.657 -11.532 0.668 1.00 0.00 C ATOM 764 O PHE A 56 1.324 -12.277 -0.048 1.00 0.00 O ATOM 765 CB PHE A 56 1.250 -10.337 2.811 1.00 0.00 C ATOM 766 CG PHE A 56 2.027 -11.490 3.433 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.277 -11.909 2.930 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.471 -12.172 4.529 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.945 -13.005 3.505 1.00 0.00 C ATOM 770 CE2 PHE A 56 2.129 -13.278 5.091 1.00 0.00 C ATOM 771 CZ PHE A 56 3.367 -13.700 4.579 1.00 0.00 C ATOM 0 H PHE A 56 -0.394 -9.067 1.188 1.00 0.00 H new ATOM 0 HA PHE A 56 2.332 -10.217 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.647 -9.399 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.211 -10.402 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.724 -11.385 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.529 -11.843 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.906 -13.313 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.681 -13.806 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.871 -14.553 5.009 1.00 0.00 H new ATOM 781 N GLY A 57 -0.635 -11.721 0.938 1.00 0.00 N ATOM 782 CA GLY A 57 -1.366 -12.945 0.624 1.00 0.00 C ATOM 783 C GLY A 57 -2.503 -12.777 -0.379 1.00 0.00 C ATOM 784 O GLY A 57 -3.299 -13.706 -0.539 1.00 0.00 O ATOM 0 H GLY A 57 -1.213 -11.012 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.663 -13.680 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.774 -13.354 1.548 1.00 0.00 H new ATOM 788 N ASN A 58 -2.612 -11.602 -1.010 1.00 0.00 N ATOM 789 CA ASN A 58 -3.760 -11.204 -1.831 1.00 0.00 C ATOM 790 C ASN A 58 -3.489 -11.458 -3.322 1.00 0.00 C ATOM 791 O ASN A 58 -3.896 -12.501 -3.833 1.00 0.00 O ATOM 792 CB ASN A 58 -4.085 -9.739 -1.526 1.00 0.00 C ATOM 793 CG ASN A 58 -4.982 -9.107 -2.591 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.030 -9.637 -2.924 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.561 -8.017 -3.216 1.00 0.00 N ATOM 0 H ASN A 58 -1.888 -10.886 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.631 -11.811 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.576 -9.673 -0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.157 -9.171 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.113 -7.620 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.685 -7.575 -2.937 1.00 0.00 H new ATOM 802 N SER A 59 -2.796 -10.546 -4.023 1.00 0.00 N ATOM 803 CA SER A 59 -2.436 -10.718 -5.441 1.00 0.00 C ATOM 804 C SER A 59 -0.919 -10.583 -5.648 1.00 0.00 C ATOM 805 O SER A 59 -0.329 -11.361 -6.401 1.00 0.00 O ATOM 806 CB SER A 59 -3.263 -9.743 -6.293 1.00 0.00 C ATOM 807 OG SER A 59 -3.331 -10.115 -7.661 1.00 0.00 O ATOM 0 H SER A 59 -2.469 -9.667 -3.622 1.00 0.00 H new ATOM 0 HA SER A 59 -2.682 -11.728 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.273 -9.684 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.830 -8.746 -6.215 1.00 0.00 H new ATOM 0 HG SER A 59 -3.870 -9.460 -8.152 1.00 0.00 H new ATOM 813 N CYS A 60 -0.267 -9.658 -4.927 1.00 0.00 N ATOM 814 CA CYS A 60 1.174 -9.627 -4.720 1.00 0.00 C ATOM 815 C CYS A 60 1.699 -11.031 -4.392 1.00 0.00 C ATOM 816 O CYS A 60 1.132 -11.735 -3.554 1.00 0.00 O ATOM 817 CB CYS A 60 1.493 -8.634 -3.600 1.00 0.00 C ATOM 818 SG CYS A 60 2.772 -7.415 -3.983 1.00 0.00 S ATOM 0 H CYS A 60 -0.751 -8.891 -4.461 1.00 0.00 H new ATOM 0 HA CYS A 60 1.673 -9.300 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.578 -8.104 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.802 -9.195 -2.718 1.00 0.00 H new ATOM 0 HG CYS A 60 3.928 -7.861 -3.590 1.00 0.00 H new ATOM 823 N LEU A 61 2.750 -11.435 -5.105 1.00 0.00 N ATOM 824 CA LEU A 61 3.354 -12.763 -5.069 1.00 0.00 C ATOM 825 C LEU A 61 3.944 -13.008 -3.676 1.00 0.00 C ATOM 826 O LEU A 61 3.627 -13.994 -3.015 1.00 0.00 O ATOM 827 CB LEU A 61 4.424 -12.821 -6.184 1.00 0.00 C ATOM 828 CG LEU A 61 4.741 -14.204 -6.777 1.00 0.00 C ATOM 829 CD1 LEU A 61 5.105 -15.241 -5.720 1.00 0.00 C ATOM 830 CD2 LEU A 61 3.584 -14.713 -7.647 1.00 0.00 C ATOM 0 H LEU A 61 3.226 -10.811 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 61 2.622 -13.550 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.102 -12.170 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.349 -12.402 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 61 5.623 -14.067 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.317 -16.194 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.986 -14.908 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.272 -15.363 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.837 -15.693 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.681 -14.793 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.410 -14.015 -8.466 1.00 0.00 H new ATOM 842 N ASN A 62 4.757 -12.059 -3.230 1.00 0.00 N ATOM 843 CA ASN A 62 5.153 -11.783 -1.860 1.00 0.00 C ATOM 844 C ASN A 62 4.898 -10.295 -1.676 1.00 0.00 C ATOM 845 O ASN A 62 4.638 -9.588 -2.658 1.00 0.00 O ATOM 846 CB ASN A 62 6.645 -12.070 -1.643 1.00 0.00 C ATOM 847 CG ASN A 62 7.076 -13.433 -2.151 1.00 0.00 C ATOM 848 OD1 ASN A 62 6.880 -14.456 -1.504 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.634 -13.486 -3.348 1.00 0.00 N ATOM 0 H ASN A 62 5.194 -11.405 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 62 4.602 -12.406 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.232 -11.301 -2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.870 -11.999 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.907 -14.385 -3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.791 -12.627 -3.876 1.00 0.00 H new ATOM 856 N TRP A 63 5.020 -9.825 -0.442 1.00 0.00 N ATOM 857 CA TRP A 63 5.195 -8.423 -0.138 1.00 0.00 C ATOM 858 C TRP A 63 6.602 -8.008 -0.562 1.00 0.00 C ATOM 859 O TRP A 63 7.556 -8.154 0.230 1.00 0.00 O ATOM 860 CB TRP A 63 4.823 -8.177 1.334 1.00 0.00 C ATOM 861 CG TRP A 63 5.326 -9.114 2.398 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.338 -10.002 2.292 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.828 -9.266 3.760 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.525 -10.640 3.498 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.621 -10.226 4.447 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.768 -8.686 4.478 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.400 -10.560 5.792 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.512 -9.028 5.820 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.342 -9.947 6.485 1.00 0.00 C ATOM 0 H TRP A 63 4.999 -10.422 0.385 1.00 0.00 H new ATOM 0 HA TRP A 63 4.523 -7.776 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.167 -7.176 1.593 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.735 -8.167 1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.914 -10.184 1.397 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.249 -11.338 3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.135 -7.961 3.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.035 -11.279 6.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.676 -8.583 6.339 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.167 -10.181 7.525 1.00 0.00 H new TER 880 TRP A 63