USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=22 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 54 GLN : amide:sc=-0.00175 X(o=0.72,f=0.39) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.722 K(o=0.72,f=-0.28) USER MOD Set 2.1: A 39 CYS SG : rot -73:sc= 0.0665 USER MOD Set 2.2: A 51 CYS SG : rot 145:sc= 0.8 USER MOD Set 3.1: A 13 CYS SG : rot 96:sc= 0.282 USER MOD Set 3.2: A 42 CYS SG : rot 91:sc= 0.659 USER MOD Set 4.1: A 25 CYS SG : rot -45:sc= 1.03 USER MOD Set 4.2: A 38 CYS SG : rot 170:sc= 0.895 USER MOD Set 5.1: A 27 ASN : amide:sc= 1.53 K(o=4.7,f=-0.97!) USER MOD Set 5.2: A 34 CYS SG : rot -154:sc= 1.79 USER MOD Set 5.3: A 60 CYS SG : rot 78:sc= 1.41 USER MOD Set 6.1: A 15 TYR OH : rot 160:sc= 0.587 USER MOD Set 6.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 1 THR OG1 : rot 156:sc= 0.456 USER MOD Set 7.2: A 6 HIS : no HD1:sc= -0.139 K(o=0.32,f=-0.18) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.0332 K(o=0.033,f=-7.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00754 USER MOD Single : A 12 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.000122 X(o=-0.00012,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 19 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 26 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.4 K(o=1.4,f=-0.0026) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.565 F(o=-1.5,f=-0.56) USER MOD Single : A 46 THR OG1 : rot 180:sc=0.000892 USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.821 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -7.434 -0.728 11.247 1.00 0.00 N ATOM 2 CA THR A 1 -6.750 0.415 10.634 1.00 0.00 C ATOM 3 C THR A 1 -7.735 1.101 9.678 1.00 0.00 C ATOM 4 O THR A 1 -8.310 2.122 10.043 1.00 0.00 O ATOM 5 CB THR A 1 -5.361 0.021 10.064 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.426 0.974 10.481 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.192 -0.129 8.552 1.00 0.00 C ATOM 0 H1 THR A 1 -6.785 -1.211 11.901 1.00 0.00 H new ATOM 0 H2 THR A 1 -8.268 -0.393 11.771 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.734 -1.392 10.505 1.00 0.00 H new ATOM 0 HA THR A 1 -6.475 1.170 11.371 1.00 0.00 H new ATOM 0 HB THR A 1 -5.222 -0.987 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 1 -3.530 0.577 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.162 -0.407 8.327 1.00 0.00 H new ATOM 0 HG22 THR A 1 -5.866 -0.904 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 1 -5.427 0.817 8.064 1.00 0.00 H new ATOM 15 N ASP A 2 -8.032 0.461 8.537 1.00 0.00 N ATOM 16 CA ASP A 2 -8.724 0.964 7.346 1.00 0.00 C ATOM 17 C ASP A 2 -7.820 1.956 6.599 1.00 0.00 C ATOM 18 O ASP A 2 -7.079 2.703 7.238 1.00 0.00 O ATOM 19 CB ASP A 2 -10.080 1.606 7.650 1.00 0.00 C ATOM 20 CG ASP A 2 -11.097 0.661 8.320 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.820 -0.556 8.496 1.00 0.00 O ATOM 22 OD2 ASP A 2 -12.202 1.116 8.690 1.00 0.00 O ATOM 0 H ASP A 2 -7.767 -0.516 8.416 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.933 0.098 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.923 2.469 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.508 1.980 6.720 1.00 0.00 H new ATOM 27 N PRO A 3 -7.844 1.986 5.256 1.00 0.00 N ATOM 28 CA PRO A 3 -6.982 2.844 4.446 1.00 0.00 C ATOM 29 C PRO A 3 -7.469 4.287 4.369 1.00 0.00 C ATOM 30 O PRO A 3 -6.816 5.120 3.747 1.00 0.00 O ATOM 31 CB PRO A 3 -6.976 2.194 3.065 1.00 0.00 C ATOM 32 CG PRO A 3 -8.377 1.594 2.954 1.00 0.00 C ATOM 33 CD PRO A 3 -8.689 1.178 4.396 1.00 0.00 C ATOM 0 HA PRO A 3 -5.988 2.917 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.787 2.924 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.203 1.430 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.098 2.320 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.399 0.742 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.742 1.340 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.490 0.117 4.544 1.00 0.00 H new ATOM 41 N GLU A 4 -8.606 4.587 4.984 1.00 0.00 N ATOM 42 CA GLU A 4 -9.206 5.909 5.012 1.00 0.00 C ATOM 43 C GLU A 4 -8.212 6.962 5.516 1.00 0.00 C ATOM 44 O GLU A 4 -8.162 8.083 5.000 1.00 0.00 O ATOM 45 CB GLU A 4 -10.388 5.834 5.995 1.00 0.00 C ATOM 46 CG GLU A 4 -11.393 6.969 5.780 1.00 0.00 C ATOM 47 CD GLU A 4 -12.477 6.620 4.754 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.331 5.652 3.970 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.526 7.301 4.780 1.00 0.00 O ATOM 0 H GLU A 4 -9.152 3.892 5.493 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.517 6.197 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.895 4.876 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.011 5.874 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.866 7.214 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.861 7.861 5.449 1.00 0.00 H new ATOM 56 N GLU A 5 -7.437 6.586 6.534 1.00 0.00 N ATOM 57 CA GLU A 5 -6.484 7.382 7.265 1.00 0.00 C ATOM 58 C GLU A 5 -5.175 6.609 7.326 1.00 0.00 C ATOM 59 O GLU A 5 -4.927 5.718 6.505 1.00 0.00 O ATOM 60 CB GLU A 5 -7.059 7.726 8.647 1.00 0.00 C ATOM 61 CG GLU A 5 -8.431 8.410 8.559 1.00 0.00 C ATOM 62 CD GLU A 5 -8.731 9.392 9.694 1.00 0.00 C ATOM 63 OE1 GLU A 5 -8.106 9.327 10.776 1.00 0.00 O ATOM 64 OE2 GLU A 5 -9.632 10.235 9.466 1.00 0.00 O ATOM 0 H GLU A 5 -7.473 5.631 6.889 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.284 8.334 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.148 6.814 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.364 8.380 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.496 8.942 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.204 7.642 8.548 1.00 0.00 H new ATOM 71 N HIS A 6 -4.330 6.968 8.286 1.00 0.00 N ATOM 72 CA HIS A 6 -2.968 6.539 8.457 1.00 0.00 C ATOM 73 C HIS A 6 -2.114 6.890 7.234 1.00 0.00 C ATOM 74 O HIS A 6 -1.187 6.155 6.905 1.00 0.00 O ATOM 75 CB HIS A 6 -2.945 5.058 8.774 1.00 0.00 C ATOM 76 CG HIS A 6 -3.855 4.629 9.887 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.482 4.527 11.199 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.179 4.287 9.785 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.529 4.066 11.888 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.597 3.939 11.080 1.00 0.00 N ATOM 0 H HIS A 6 -4.614 7.619 9.018 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.524 7.073 9.297 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.213 4.506 7.873 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.925 4.773 9.030 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.780 4.286 8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.520 3.829 12.942 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.534 3.645 11.356 1.00 0.00 H new ATOM 88 N PHE A 7 -2.468 7.946 6.501 1.00 0.00 N ATOM 89 CA PHE A 7 -1.662 8.504 5.431 1.00 0.00 C ATOM 90 C PHE A 7 -0.489 9.182 6.140 1.00 0.00 C ATOM 91 O PHE A 7 -0.711 10.148 6.876 1.00 0.00 O ATOM 92 CB PHE A 7 -2.510 9.500 4.599 1.00 0.00 C ATOM 93 CG PHE A 7 -2.409 9.385 3.087 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.182 9.090 2.460 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.559 9.596 2.297 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.105 8.991 1.061 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.482 9.490 0.896 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.260 9.167 0.282 1.00 0.00 C ATOM 0 H PHE A 7 -3.346 8.445 6.644 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.305 7.756 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.556 9.375 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.222 10.512 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.296 8.939 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.500 9.839 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.159 8.780 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.362 9.657 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.209 9.054 -0.791 1.00 0.00 H new ATOM 108 N ASP A 8 0.734 8.680 5.969 1.00 0.00 N ATOM 109 CA ASP A 8 1.938 9.340 6.480 1.00 0.00 C ATOM 110 C ASP A 8 3.062 9.203 5.444 1.00 0.00 C ATOM 111 O ASP A 8 4.033 8.477 5.672 1.00 0.00 O ATOM 112 CB ASP A 8 2.312 8.814 7.879 1.00 0.00 C ATOM 113 CG ASP A 8 3.473 9.615 8.469 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.396 10.868 8.538 1.00 0.00 O ATOM 115 OD2 ASP A 8 4.484 9.005 8.885 1.00 0.00 O ATOM 0 H ASP A 8 0.919 7.807 5.474 1.00 0.00 H new ATOM 0 HA ASP A 8 1.753 10.405 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.447 8.878 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.586 7.761 7.815 1.00 0.00 H new ATOM 120 N PRO A 9 2.913 9.833 4.262 1.00 0.00 N ATOM 121 CA PRO A 9 3.752 9.535 3.113 1.00 0.00 C ATOM 122 C PRO A 9 5.146 10.111 3.284 1.00 0.00 C ATOM 123 O PRO A 9 5.301 11.247 3.742 1.00 0.00 O ATOM 124 CB PRO A 9 3.059 10.176 1.909 1.00 0.00 C ATOM 125 CG PRO A 9 2.173 11.271 2.494 1.00 0.00 C ATOM 126 CD PRO A 9 1.898 10.822 3.927 1.00 0.00 C ATOM 0 HA PRO A 9 3.872 8.459 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.786 10.589 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.468 9.444 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.673 12.239 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.248 11.377 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.943 11.668 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.899 10.395 4.013 1.00 0.00 H new ATOM 134 N ASN A 10 6.150 9.382 2.804 1.00 0.00 N ATOM 135 CA ASN A 10 7.497 9.913 2.675 1.00 0.00 C ATOM 136 C ASN A 10 7.671 10.616 1.325 1.00 0.00 C ATOM 137 O ASN A 10 6.733 10.724 0.525 1.00 0.00 O ATOM 138 CB ASN A 10 8.547 8.828 2.952 1.00 0.00 C ATOM 139 CG ASN A 10 8.791 7.809 1.844 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.504 8.012 0.671 1.00 0.00 O ATOM 141 ND2 ASN A 10 9.416 6.709 2.210 1.00 0.00 N ATOM 0 H ASN A 10 6.051 8.414 2.497 1.00 0.00 H new ATOM 0 HA ASN A 10 7.658 10.676 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.494 9.320 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.249 8.288 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.669 6.010 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.647 6.556 3.192 1.00 0.00 H new ATOM 148 N THR A 11 8.886 11.093 1.060 1.00 0.00 N ATOM 149 CA THR A 11 9.304 11.829 -0.130 1.00 0.00 C ATOM 150 C THR A 11 9.310 10.993 -1.421 1.00 0.00 C ATOM 151 O THR A 11 10.015 11.357 -2.364 1.00 0.00 O ATOM 152 CB THR A 11 10.680 12.456 0.155 1.00 0.00 C ATOM 153 OG1 THR A 11 11.617 11.472 0.565 1.00 0.00 O ATOM 154 CG2 THR A 11 10.604 13.505 1.270 1.00 0.00 C ATOM 0 H THR A 11 9.656 10.966 1.716 1.00 0.00 H new ATOM 0 HA THR A 11 8.563 12.604 -0.325 1.00 0.00 H new ATOM 0 HB THR A 11 10.998 12.923 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.483 11.897 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.595 13.925 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.919 14.300 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.244 13.037 2.186 1.00 0.00 H new ATOM 162 N ASN A 12 8.610 9.856 -1.475 1.00 0.00 N ATOM 163 CA ASN A 12 8.489 9.034 -2.671 1.00 0.00 C ATOM 164 C ASN A 12 7.044 8.620 -2.966 1.00 0.00 C ATOM 165 O ASN A 12 6.813 7.982 -3.991 1.00 0.00 O ATOM 166 CB ASN A 12 9.393 7.792 -2.563 1.00 0.00 C ATOM 167 CG ASN A 12 10.128 7.520 -3.862 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.352 7.537 -3.903 1.00 0.00 O ATOM 169 ND2 ASN A 12 9.413 7.275 -4.942 1.00 0.00 N ATOM 0 H ASN A 12 8.105 9.479 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 12 8.817 9.649 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.115 7.936 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.789 6.924 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.878 7.095 -5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.394 7.265 -4.888 1.00 0.00 H new ATOM 176 N CYS A 13 6.059 8.866 -2.094 1.00 0.00 N ATOM 177 CA CYS A 13 4.644 8.732 -2.449 1.00 0.00 C ATOM 178 C CYS A 13 4.189 9.928 -3.290 1.00 0.00 C ATOM 179 O CYS A 13 4.280 11.068 -2.832 1.00 0.00 O ATOM 180 CB CYS A 13 3.817 8.668 -1.169 1.00 0.00 C ATOM 181 SG CYS A 13 2.033 8.509 -1.424 1.00 0.00 S ATOM 0 H CYS A 13 6.220 9.161 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 13 4.505 7.822 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.161 7.823 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.007 9.568 -0.585 1.00 0.00 H new ATOM 0 HG CYS A 13 1.695 7.255 -1.358 1.00 0.00 H new ATOM 186 N ASP A 14 3.650 9.700 -4.489 1.00 0.00 N ATOM 187 CA ASP A 14 3.100 10.762 -5.337 1.00 0.00 C ATOM 188 C ASP A 14 1.589 10.598 -5.535 1.00 0.00 C ATOM 189 O ASP A 14 0.914 11.522 -5.989 1.00 0.00 O ATOM 190 CB ASP A 14 3.850 10.787 -6.674 1.00 0.00 C ATOM 191 CG ASP A 14 3.675 12.130 -7.379 1.00 0.00 C ATOM 192 OD1 ASP A 14 4.171 13.155 -6.853 1.00 0.00 O ATOM 193 OD2 ASP A 14 3.068 12.170 -8.473 1.00 0.00 O ATOM 0 H ASP A 14 3.582 8.770 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 14 3.243 11.721 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.910 10.598 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.483 9.986 -7.315 1.00 0.00 H new ATOM 198 N TYR A 15 1.027 9.443 -5.155 1.00 0.00 N ATOM 199 CA TYR A 15 -0.412 9.209 -5.158 1.00 0.00 C ATOM 200 C TYR A 15 -0.997 9.674 -3.839 1.00 0.00 C ATOM 201 O TYR A 15 -0.767 9.062 -2.801 1.00 0.00 O ATOM 202 CB TYR A 15 -0.728 7.721 -5.354 1.00 0.00 C ATOM 203 CG TYR A 15 -0.625 7.194 -6.770 1.00 0.00 C ATOM 204 CD1 TYR A 15 -0.142 7.982 -7.836 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.110 5.902 -7.027 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.210 7.494 -9.154 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.197 5.420 -8.339 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.754 6.216 -9.415 1.00 0.00 C ATOM 209 OH TYR A 15 -0.838 5.753 -10.691 1.00 0.00 O ATOM 0 H TYR A 15 1.569 8.641 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.851 9.768 -5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.053 7.142 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.740 7.536 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.279 8.957 -7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.419 5.274 -6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.155 8.099 -9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.604 4.437 -8.527 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.925 4.777 -10.680 1.00 0.00 H new ATOM 219 N THR A 16 -1.828 10.706 -3.886 1.00 0.00 N ATOM 220 CA THR A 16 -2.403 11.314 -2.698 1.00 0.00 C ATOM 221 C THR A 16 -3.838 10.835 -2.441 1.00 0.00 C ATOM 222 O THR A 16 -4.571 11.503 -1.712 1.00 0.00 O ATOM 223 CB THR A 16 -2.247 12.839 -2.767 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.861 13.430 -3.897 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.773 13.257 -2.772 1.00 0.00 C ATOM 0 H THR A 16 -2.123 11.147 -4.757 1.00 0.00 H new ATOM 0 HA THR A 16 -1.850 10.981 -1.820 1.00 0.00 H new ATOM 0 HB THR A 16 -2.752 13.198 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.723 14.400 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.703 14.344 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.292 12.904 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.274 12.821 -3.638 1.00 0.00 H new ATOM 233 N ASN A 17 -4.255 9.693 -3.012 1.00 0.00 N ATOM 234 CA ASN A 17 -5.570 9.116 -2.746 1.00 0.00 C ATOM 235 C ASN A 17 -5.362 7.775 -2.067 1.00 0.00 C ATOM 236 O ASN A 17 -4.537 6.976 -2.517 1.00 0.00 O ATOM 237 CB ASN A 17 -6.438 8.845 -3.977 1.00 0.00 C ATOM 238 CG ASN A 17 -6.580 9.988 -4.957 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.617 10.634 -5.036 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.566 10.189 -5.772 1.00 0.00 N ATOM 0 H ASN A 17 -3.689 9.152 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.095 9.859 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.023 7.988 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.434 8.558 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.629 10.902 -6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.717 9.632 -5.677 1.00 0.00 H new ATOM 247 N SER A 18 -6.188 7.508 -1.069 1.00 0.00 N ATOM 248 CA SER A 18 -6.177 6.305 -0.247 1.00 0.00 C ATOM 249 C SER A 18 -6.527 5.076 -1.077 1.00 0.00 C ATOM 250 O SER A 18 -5.992 4.006 -0.821 1.00 0.00 O ATOM 251 CB SER A 18 -7.107 6.484 0.975 1.00 0.00 C ATOM 252 OG SER A 18 -8.256 7.262 0.683 1.00 0.00 O ATOM 0 H SER A 18 -6.924 8.158 -0.794 1.00 0.00 H new ATOM 0 HA SER A 18 -5.169 6.143 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.420 5.504 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.550 6.957 1.784 1.00 0.00 H new ATOM 0 HG SER A 18 -8.810 7.343 1.488 1.00 0.00 H new ATOM 258 N GLN A 19 -7.399 5.210 -2.080 1.00 0.00 N ATOM 259 CA GLN A 19 -7.805 4.097 -2.926 1.00 0.00 C ATOM 260 C GLN A 19 -6.678 3.702 -3.876 1.00 0.00 C ATOM 261 O GLN A 19 -6.288 2.539 -3.881 1.00 0.00 O ATOM 262 CB GLN A 19 -9.064 4.514 -3.687 1.00 0.00 C ATOM 263 CG GLN A 19 -9.655 3.421 -4.581 1.00 0.00 C ATOM 264 CD GLN A 19 -10.327 2.309 -3.788 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.295 2.554 -3.068 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.878 1.077 -3.938 1.00 0.00 N ATOM 0 H GLN A 19 -7.841 6.096 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.024 3.219 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.821 4.827 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.831 5.383 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.382 3.867 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.863 2.994 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.074 0.897 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.335 0.305 -3.452 1.00 0.00 H new ATOM 275 N ASP A 20 -6.173 4.642 -4.685 1.00 0.00 N ATOM 276 CA ASP A 20 -5.140 4.352 -5.685 1.00 0.00 C ATOM 277 C ASP A 20 -3.906 3.804 -4.984 1.00 0.00 C ATOM 278 O ASP A 20 -3.438 2.728 -5.339 1.00 0.00 O ATOM 279 CB ASP A 20 -4.706 5.608 -6.450 1.00 0.00 C ATOM 280 CG ASP A 20 -5.362 5.858 -7.799 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.402 4.964 -8.673 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.692 7.040 -8.033 1.00 0.00 O ATOM 0 H ASP A 20 -6.467 5.618 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.565 3.635 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.897 6.473 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.628 5.556 -6.602 1.00 0.00 H new ATOM 287 N ALA A 21 -3.369 4.538 -3.997 1.00 0.00 N ATOM 288 CA ALA A 21 -2.183 4.111 -3.274 1.00 0.00 C ATOM 289 C ALA A 21 -2.393 2.712 -2.695 1.00 0.00 C ATOM 290 O ALA A 21 -1.567 1.839 -2.944 1.00 0.00 O ATOM 291 CB ALA A 21 -1.820 5.133 -2.194 1.00 0.00 C ATOM 0 H ALA A 21 -3.747 5.433 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.341 4.057 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.930 4.799 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.624 6.099 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.648 5.230 -1.492 1.00 0.00 H new ATOM 297 N TRP A 22 -3.509 2.470 -1.994 1.00 0.00 N ATOM 298 CA TRP A 22 -3.827 1.154 -1.460 1.00 0.00 C ATOM 299 C TRP A 22 -3.788 0.102 -2.562 1.00 0.00 C ATOM 300 O TRP A 22 -3.037 -0.862 -2.451 1.00 0.00 O ATOM 301 CB TRP A 22 -5.201 1.166 -0.788 1.00 0.00 C ATOM 302 CG TRP A 22 -5.679 -0.161 -0.313 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.404 -1.045 -1.031 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.439 -0.778 0.979 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.649 -2.159 -0.255 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.095 -2.041 1.003 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.741 -0.385 2.137 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.068 -2.869 2.135 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.751 -1.180 3.293 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.385 -2.430 3.279 1.00 0.00 C ATOM 0 H TRP A 22 -4.209 3.182 -1.786 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.076 0.899 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -5.168 1.849 0.061 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.930 1.568 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.738 -0.903 -2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.176 -2.972 -0.573 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.189 0.543 2.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.565 -3.828 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.270 -0.829 4.194 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.347 -3.060 4.155 1.00 0.00 H new ATOM 321 N ASP A 23 -4.590 0.252 -3.618 1.00 0.00 N ATOM 322 CA ASP A 23 -4.686 -0.719 -4.707 1.00 0.00 C ATOM 323 C ASP A 23 -3.264 -1.042 -5.174 1.00 0.00 C ATOM 324 O ASP A 23 -2.847 -2.208 -5.151 1.00 0.00 O ATOM 325 CB ASP A 23 -5.675 -0.231 -5.806 1.00 0.00 C ATOM 326 CG ASP A 23 -7.138 -0.400 -5.368 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.434 -1.269 -4.513 1.00 0.00 O ATOM 328 OD2 ASP A 23 -8.025 0.303 -5.904 1.00 0.00 O ATOM 0 H ASP A 23 -5.198 1.062 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.127 -1.661 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.481 0.818 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.503 -0.791 -6.725 1.00 0.00 H new ATOM 333 N TYR A 24 -2.484 -0.018 -5.534 1.00 0.00 N ATOM 334 CA TYR A 24 -1.223 -0.206 -6.235 1.00 0.00 C ATOM 335 C TYR A 24 -0.211 -0.871 -5.285 1.00 0.00 C ATOM 336 O TYR A 24 0.441 -1.847 -5.665 1.00 0.00 O ATOM 337 CB TYR A 24 -0.732 1.144 -6.771 1.00 0.00 C ATOM 338 CG TYR A 24 -1.378 1.604 -8.077 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.776 1.743 -8.198 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.569 1.950 -9.176 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.356 2.256 -9.369 1.00 0.00 C ATOM 342 CE2 TYR A 24 -1.138 2.456 -10.358 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.536 2.642 -10.450 1.00 0.00 C ATOM 344 OH TYR A 24 -3.083 3.256 -11.537 1.00 0.00 O ATOM 0 H TYR A 24 -2.713 0.958 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.350 -0.867 -7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.909 1.904 -6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.346 1.087 -6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.412 1.450 -7.376 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.502 1.825 -9.110 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.429 2.355 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.505 2.703 -11.198 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.379 3.456 -12.189 1.00 0.00 H new ATOM 354 N CYS A 25 -0.128 -0.411 -4.029 1.00 0.00 N ATOM 355 CA CYS A 25 0.705 -1.006 -2.982 1.00 0.00 C ATOM 356 C CYS A 25 0.359 -2.479 -2.747 1.00 0.00 C ATOM 357 O CYS A 25 1.225 -3.283 -2.388 1.00 0.00 O ATOM 358 CB CYS A 25 0.511 -0.269 -1.648 1.00 0.00 C ATOM 359 SG CYS A 25 1.101 1.439 -1.545 1.00 0.00 S ATOM 0 H CYS A 25 -0.651 0.404 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 25 1.736 -0.921 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.553 -0.272 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.011 -0.845 -0.869 1.00 0.00 H new ATOM 0 HG CYS A 25 2.284 1.522 -2.077 1.00 0.00 H new ATOM 364 N THR A 26 -0.909 -2.849 -2.908 1.00 0.00 N ATOM 365 CA THR A 26 -1.427 -4.176 -2.602 1.00 0.00 C ATOM 366 C THR A 26 -1.377 -5.102 -3.830 1.00 0.00 C ATOM 367 O THR A 26 -1.862 -6.231 -3.777 1.00 0.00 O ATOM 368 CB THR A 26 -2.779 -4.041 -1.900 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.788 -3.493 -2.713 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.667 -3.212 -0.616 1.00 0.00 C ATOM 0 H THR A 26 -1.623 -2.214 -3.265 1.00 0.00 H new ATOM 0 HA THR A 26 -0.783 -4.692 -1.889 1.00 0.00 H new ATOM 0 HB THR A 26 -3.070 -5.063 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.688 -2.519 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.647 -3.137 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.970 -3.695 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.304 -2.213 -0.858 1.00 0.00 H new ATOM 378 N ASN A 27 -0.735 -4.655 -4.920 1.00 0.00 N ATOM 379 CA ASN A 27 -0.644 -5.350 -6.203 1.00 0.00 C ATOM 380 C ASN A 27 -2.027 -5.713 -6.746 1.00 0.00 C ATOM 381 O ASN A 27 -2.184 -6.733 -7.413 1.00 0.00 O ATOM 382 CB ASN A 27 0.264 -6.591 -6.117 1.00 0.00 C ATOM 383 CG ASN A 27 0.782 -6.970 -7.506 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.450 -6.174 -8.158 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.547 -8.182 -7.977 1.00 0.00 N ATOM 0 H ASN A 27 -0.246 -3.760 -4.926 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.184 -4.658 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.103 -6.390 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.290 -7.426 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.921 -8.458 -8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.009 -8.842 -7.433 1.00 0.00 H new ATOM 392 N TYR A 28 -3.051 -4.917 -6.429 1.00 0.00 N ATOM 393 CA TYR A 28 -4.375 -5.104 -7.005 1.00 0.00 C ATOM 394 C TYR A 28 -4.295 -4.928 -8.525 1.00 0.00 C ATOM 395 O TYR A 28 -4.939 -5.668 -9.268 1.00 0.00 O ATOM 396 CB TYR A 28 -5.316 -4.087 -6.361 1.00 0.00 C ATOM 397 CG TYR A 28 -6.784 -4.266 -6.685 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.460 -5.444 -6.314 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.485 -3.235 -7.331 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.825 -5.606 -6.610 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.840 -3.396 -7.660 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.516 -4.586 -7.307 1.00 0.00 C ATOM 403 OH TYR A 28 -10.822 -4.748 -7.659 1.00 0.00 O ATOM 0 H TYR A 28 -2.983 -4.137 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.756 -6.107 -6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.191 -4.136 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.012 -3.088 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.926 -6.229 -5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.979 -2.313 -7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.343 -6.504 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.366 -2.611 -8.183 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.136 -3.948 -8.130 1.00 0.00 H new ATOM 413 N ILE A 29 -3.459 -3.981 -8.954 1.00 0.00 N ATOM 414 CA ILE A 29 -3.110 -3.603 -10.312 1.00 0.00 C ATOM 415 C ILE A 29 -1.587 -3.765 -10.313 1.00 0.00 C ATOM 416 O ILE A 29 -0.893 -3.063 -9.567 1.00 0.00 O ATOM 417 CB ILE A 29 -3.555 -2.157 -10.559 1.00 0.00 C ATOM 418 CG1 ILE A 29 -5.055 -1.935 -10.240 1.00 0.00 C ATOM 419 CG2 ILE A 29 -3.123 -1.387 -11.780 1.00 0.00 C ATOM 420 CD1 ILE A 29 -6.034 -1.929 -11.411 1.00 0.00 C ATOM 0 H ILE A 29 -2.959 -3.401 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.582 -4.191 -11.099 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.907 -1.678 -9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.369 -2.713 -9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.150 -0.983 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.554 -0.386 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.036 -1.313 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.466 -1.904 -12.676 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.045 -1.764 -11.039 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.767 -1.131 -12.104 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.990 -2.888 -11.927 1.00 0.00 H new ATOM 432 N VAL A 30 -1.043 -4.718 -11.064 1.00 0.00 N ATOM 433 CA VAL A 30 0.399 -4.820 -11.257 1.00 0.00 C ATOM 434 C VAL A 30 0.928 -3.478 -11.762 1.00 0.00 C ATOM 435 O VAL A 30 0.393 -2.914 -12.717 1.00 0.00 O ATOM 436 CB VAL A 30 0.740 -6.004 -12.173 1.00 0.00 C ATOM 437 CG1 VAL A 30 2.131 -5.890 -12.812 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.702 -7.284 -11.335 1.00 0.00 C ATOM 0 H VAL A 30 -1.583 -5.434 -11.551 1.00 0.00 H new ATOM 0 HA VAL A 30 0.899 -5.030 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 30 0.008 -6.014 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.312 -6.757 -13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.182 -4.982 -13.413 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.889 -5.850 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.942 -8.140 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.432 -7.213 -10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.294 -7.413 -10.912 1.00 0.00 H new ATOM 448 N ASN A 31 1.965 -2.969 -11.097 1.00 0.00 N ATOM 449 CA ASN A 31 2.552 -1.655 -11.376 1.00 0.00 C ATOM 450 C ASN A 31 4.052 -1.579 -11.041 1.00 0.00 C ATOM 451 O ASN A 31 4.642 -0.508 -11.183 1.00 0.00 O ATOM 452 CB ASN A 31 1.761 -0.531 -10.668 1.00 0.00 C ATOM 453 CG ASN A 31 1.868 -0.529 -9.142 1.00 0.00 C ATOM 454 OD1 ASN A 31 2.481 0.346 -8.549 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.192 -1.448 -8.471 1.00 0.00 N ATOM 0 H ASN A 31 2.430 -3.465 -10.336 1.00 0.00 H new ATOM 0 HA ASN A 31 2.474 -1.506 -12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.111 0.431 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.710 -0.618 -10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.180 -1.429 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.683 -2.175 -8.974 1.00 0.00 H new ATOM 462 N SER A 32 4.688 -2.702 -10.675 1.00 0.00 N ATOM 463 CA SER A 32 5.934 -2.751 -9.905 1.00 0.00 C ATOM 464 C SER A 32 5.736 -2.095 -8.530 1.00 0.00 C ATOM 465 O SER A 32 4.619 -1.733 -8.170 1.00 0.00 O ATOM 466 CB SER A 32 7.141 -2.177 -10.674 1.00 0.00 C ATOM 467 OG SER A 32 7.360 -2.819 -11.921 1.00 0.00 O ATOM 0 H SER A 32 4.336 -3.629 -10.916 1.00 0.00 H new ATOM 0 HA SER A 32 6.181 -3.800 -9.742 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.984 -1.112 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.036 -2.274 -10.059 1.00 0.00 H new ATOM 0 HG SER A 32 8.134 -2.415 -12.365 1.00 0.00 H new ATOM 473 N SER A 33 6.805 -2.004 -7.730 1.00 0.00 N ATOM 474 CA SER A 33 6.986 -1.170 -6.550 1.00 0.00 C ATOM 475 C SER A 33 6.227 -1.679 -5.322 1.00 0.00 C ATOM 476 O SER A 33 6.596 -1.366 -4.189 1.00 0.00 O ATOM 477 CB SER A 33 6.618 0.270 -6.926 1.00 0.00 C ATOM 478 OG SER A 33 7.589 1.180 -6.447 1.00 0.00 O ATOM 0 H SER A 33 7.636 -2.565 -7.914 1.00 0.00 H new ATOM 0 HA SER A 33 8.031 -1.211 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.535 0.357 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.642 0.521 -6.510 1.00 0.00 H new ATOM 0 HG SER A 33 7.335 2.092 -6.700 1.00 0.00 H new ATOM 484 N CYS A 34 5.222 -2.520 -5.543 1.00 0.00 N ATOM 485 CA CYS A 34 4.283 -3.004 -4.545 1.00 0.00 C ATOM 486 C CYS A 34 4.990 -3.904 -3.524 1.00 0.00 C ATOM 487 O CYS A 34 6.179 -4.210 -3.659 1.00 0.00 O ATOM 488 CB CYS A 34 3.130 -3.727 -5.249 1.00 0.00 C ATOM 489 SG CYS A 34 3.606 -5.258 -6.072 1.00 0.00 S ATOM 0 H CYS A 34 5.033 -2.900 -6.471 1.00 0.00 H new ATOM 0 HA CYS A 34 3.872 -2.162 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.354 -3.948 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.690 -3.054 -5.985 1.00 0.00 H new ATOM 0 HG CYS A 34 2.785 -5.497 -7.052 1.00 0.00 H new ATOM 494 N GLY A 35 4.251 -4.354 -2.512 1.00 0.00 N ATOM 495 CA GLY A 35 4.814 -4.992 -1.341 1.00 0.00 C ATOM 496 C GLY A 35 4.906 -3.988 -0.198 1.00 0.00 C ATOM 497 O GLY A 35 4.415 -2.858 -0.295 1.00 0.00 O ATOM 0 H GLY A 35 3.234 -4.281 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.195 -5.839 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.804 -5.386 -1.571 1.00 0.00 H new ATOM 501 N GLU A 36 5.488 -4.410 0.922 1.00 0.00 N ATOM 502 CA GLU A 36 5.337 -3.722 2.199 1.00 0.00 C ATOM 503 C GLU A 36 6.013 -2.353 2.238 1.00 0.00 C ATOM 504 O GLU A 36 5.545 -1.442 2.922 1.00 0.00 O ATOM 505 CB GLU A 36 5.858 -4.619 3.312 1.00 0.00 C ATOM 506 CG GLU A 36 7.363 -4.911 3.270 1.00 0.00 C ATOM 507 CD GLU A 36 7.704 -6.353 3.641 1.00 0.00 C ATOM 508 OE1 GLU A 36 6.896 -7.055 4.294 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.834 -6.793 3.340 1.00 0.00 O ATOM 0 H GLU A 36 6.078 -5.240 0.968 1.00 0.00 H new ATOM 0 HA GLU A 36 4.274 -3.525 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.621 -4.156 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.320 -5.566 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.740 -4.701 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.877 -4.235 3.953 1.00 0.00 H new ATOM 516 N ILE A 37 7.088 -2.201 1.472 1.00 0.00 N ATOM 517 CA ILE A 37 7.820 -0.952 1.339 1.00 0.00 C ATOM 518 C ILE A 37 6.899 0.105 0.724 1.00 0.00 C ATOM 519 O ILE A 37 6.898 1.249 1.161 1.00 0.00 O ATOM 520 CB ILE A 37 9.105 -1.190 0.535 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.966 -2.162 1.375 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.818 0.159 0.282 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.334 -2.434 0.776 1.00 0.00 C ATOM 0 H ILE A 37 7.481 -2.960 0.916 1.00 0.00 H new ATOM 0 HA ILE A 37 8.132 -0.574 2.313 1.00 0.00 H new ATOM 0 HB ILE A 37 8.909 -1.623 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.092 -1.750 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.432 -3.106 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.730 -0.013 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.158 0.820 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.069 0.622 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.882 -3.123 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.217 -2.876 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.887 -1.499 0.693 1.00 0.00 H new ATOM 535 N CYS A 38 6.075 -0.276 -0.257 1.00 0.00 N ATOM 536 CA CYS A 38 5.124 0.627 -0.892 1.00 0.00 C ATOM 537 C CYS A 38 4.123 1.130 0.147 1.00 0.00 C ATOM 538 O CYS A 38 3.798 2.311 0.164 1.00 0.00 O ATOM 539 CB CYS A 38 4.414 -0.118 -2.030 1.00 0.00 C ATOM 540 SG CYS A 38 3.883 0.908 -3.423 1.00 0.00 S ATOM 0 H CYS A 38 6.053 -1.225 -0.631 1.00 0.00 H new ATOM 0 HA CYS A 38 5.642 1.491 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.082 -0.892 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.540 -0.623 -1.620 1.00 0.00 H new ATOM 0 HG CYS A 38 3.495 0.145 -4.401 1.00 0.00 H new ATOM 545 N CYS A 39 3.669 0.252 1.052 1.00 0.00 N ATOM 546 CA CYS A 39 2.888 0.666 2.199 1.00 0.00 C ATOM 547 C CYS A 39 3.675 1.678 3.022 1.00 0.00 C ATOM 548 O CYS A 39 3.156 2.753 3.275 1.00 0.00 O ATOM 549 CB CYS A 39 2.549 -0.523 3.088 1.00 0.00 C ATOM 550 SG CYS A 39 2.074 -2.066 2.310 1.00 0.00 S ATOM 0 H CYS A 39 3.837 -0.753 1.001 1.00 0.00 H new ATOM 0 HA CYS A 39 1.964 1.112 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.415 -0.723 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.736 -0.221 3.749 1.00 0.00 H new ATOM 0 HG CYS A 39 0.872 -1.956 1.826 1.00 0.00 H new ATOM 555 N ASN A 40 4.894 1.330 3.452 1.00 0.00 N ATOM 556 CA ASN A 40 5.693 2.119 4.386 1.00 0.00 C ATOM 557 C ASN A 40 5.961 3.519 3.828 1.00 0.00 C ATOM 558 O ASN A 40 6.125 4.479 4.575 1.00 0.00 O ATOM 559 CB ASN A 40 7.056 1.439 4.593 1.00 0.00 C ATOM 560 CG ASN A 40 7.155 0.684 5.898 1.00 0.00 C ATOM 561 OD1 ASN A 40 6.276 -0.281 6.121 1.00 0.00 O flip ATOM 562 ND2 ASN A 40 8.058 0.898 6.688 1.00 0.00 N flip ATOM 0 H ASN A 40 5.359 0.473 3.151 1.00 0.00 H new ATOM 0 HA ASN A 40 5.139 2.192 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.240 0.751 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.840 2.195 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.729 1.644 6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.143 0.331 7.532 1.00 0.00 H new ATOM 569 N ASP A 41 6.092 3.614 2.505 1.00 0.00 N ATOM 570 CA ASP A 41 6.437 4.823 1.766 1.00 0.00 C ATOM 571 C ASP A 41 5.254 5.797 1.698 1.00 0.00 C ATOM 572 O ASP A 41 5.445 6.948 1.299 1.00 0.00 O ATOM 573 CB ASP A 41 6.916 4.444 0.341 1.00 0.00 C ATOM 574 CG ASP A 41 8.399 4.070 0.217 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.145 4.153 1.214 1.00 0.00 O ATOM 576 OD2 ASP A 41 8.859 3.756 -0.905 1.00 0.00 O ATOM 0 H ASP A 41 5.953 2.810 1.892 1.00 0.00 H new ATOM 0 HA ASP A 41 7.245 5.330 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.317 3.605 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.714 5.283 -0.326 1.00 0.00 H new ATOM 581 N CYS A 42 4.039 5.371 2.062 1.00 0.00 N ATOM 582 CA CYS A 42 2.796 6.096 1.802 1.00 0.00 C ATOM 583 C CYS A 42 1.893 6.148 3.045 1.00 0.00 C ATOM 584 O CYS A 42 1.424 7.217 3.437 1.00 0.00 O ATOM 585 CB CYS A 42 2.071 5.438 0.619 1.00 0.00 C ATOM 586 SG CYS A 42 3.036 5.189 -0.897 1.00 0.00 S ATOM 0 H CYS A 42 3.892 4.491 2.557 1.00 0.00 H new ATOM 0 HA CYS A 42 3.039 7.129 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.697 4.468 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.202 6.047 0.372 1.00 0.00 H new ATOM 0 HG CYS A 42 3.599 4.018 -0.866 1.00 0.00 H new ATOM 591 N PHE A 43 1.637 5.001 3.665 1.00 0.00 N ATOM 592 CA PHE A 43 0.887 4.846 4.900 1.00 0.00 C ATOM 593 C PHE A 43 1.856 4.889 6.092 1.00 0.00 C ATOM 594 O PHE A 43 3.040 4.584 5.948 1.00 0.00 O ATOM 595 CB PHE A 43 0.160 3.486 4.866 1.00 0.00 C ATOM 596 CG PHE A 43 -0.995 3.397 3.882 1.00 0.00 C ATOM 597 CD1 PHE A 43 -2.282 3.836 4.255 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.781 2.886 2.585 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.334 3.785 3.321 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.837 2.826 1.657 1.00 0.00 C ATOM 601 CZ PHE A 43 -3.112 3.289 2.024 1.00 0.00 C ATOM 0 H PHE A 43 1.966 4.108 3.297 1.00 0.00 H new ATOM 0 HA PHE A 43 0.159 5.651 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.885 2.710 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.217 3.268 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.460 4.210 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.201 2.538 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.318 4.129 3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.669 2.426 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.922 3.264 1.310 1.00 0.00 H new ATOM 611 N ASP A 44 1.346 5.135 7.306 1.00 0.00 N ATOM 612 CA ASP A 44 2.083 4.854 8.531 1.00 0.00 C ATOM 613 C ASP A 44 2.379 3.350 8.582 1.00 0.00 C ATOM 614 O ASP A 44 1.784 2.535 7.875 1.00 0.00 O ATOM 615 CB ASP A 44 1.290 5.127 9.826 1.00 0.00 C ATOM 616 CG ASP A 44 0.858 6.522 10.241 1.00 0.00 C ATOM 617 OD1 ASP A 44 1.752 7.328 10.577 1.00 0.00 O ATOM 618 OD2 ASP A 44 -0.339 6.686 10.554 1.00 0.00 O ATOM 0 H ASP A 44 0.419 5.531 7.459 1.00 0.00 H new ATOM 0 HA ASP A 44 2.959 5.501 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.384 4.524 9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.887 4.729 10.647 1.00 0.00 H new ATOM 623 N GLU A 45 3.153 2.953 9.585 1.00 0.00 N ATOM 624 CA GLU A 45 3.293 1.578 10.054 1.00 0.00 C ATOM 625 C GLU A 45 1.908 0.966 10.346 1.00 0.00 C ATOM 626 O GLU A 45 1.649 -0.199 10.038 1.00 0.00 O ATOM 627 CB GLU A 45 4.159 1.637 11.312 1.00 0.00 C ATOM 628 CG GLU A 45 4.639 0.285 11.853 1.00 0.00 C ATOM 629 CD GLU A 45 5.265 0.414 13.249 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.793 1.490 13.618 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.166 -0.557 14.031 1.00 0.00 O ATOM 0 H GLU A 45 3.725 3.608 10.117 1.00 0.00 H new ATOM 0 HA GLU A 45 3.759 0.942 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.033 2.254 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.594 2.142 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.799 -0.408 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.370 -0.142 11.166 1.00 0.00 H new ATOM 638 N THR A 46 1.013 1.767 10.932 1.00 0.00 N ATOM 639 CA THR A 46 -0.323 1.367 11.352 1.00 0.00 C ATOM 640 C THR A 46 -1.203 1.068 10.134 1.00 0.00 C ATOM 641 O THR A 46 -1.845 0.016 10.088 1.00 0.00 O ATOM 642 CB THR A 46 -0.893 2.456 12.285 1.00 0.00 C ATOM 643 OG1 THR A 46 0.112 2.773 13.241 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.166 2.001 12.995 1.00 0.00 C ATOM 0 H THR A 46 1.212 2.747 11.132 1.00 0.00 H new ATOM 0 HA THR A 46 -0.292 0.437 11.919 1.00 0.00 H new ATOM 0 HB THR A 46 -1.163 3.329 11.690 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.221 3.466 13.849 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.529 2.801 13.640 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.928 1.758 12.255 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.951 1.119 13.598 1.00 0.00 H new ATOM 652 N GLY A 47 -1.207 1.944 9.123 1.00 0.00 N ATOM 653 CA GLY A 47 -1.936 1.697 7.884 1.00 0.00 C ATOM 654 C GLY A 47 -1.318 0.523 7.129 1.00 0.00 C ATOM 655 O GLY A 47 -2.011 -0.369 6.624 1.00 0.00 O ATOM 0 H GLY A 47 -0.709 2.834 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.982 1.485 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.917 2.590 7.259 1.00 0.00 H new ATOM 659 N THR A 48 0.013 0.483 7.122 1.00 0.00 N ATOM 660 CA THR A 48 0.806 -0.552 6.506 1.00 0.00 C ATOM 661 C THR A 48 0.366 -1.936 6.948 1.00 0.00 C ATOM 662 O THR A 48 0.191 -2.775 6.073 1.00 0.00 O ATOM 663 CB THR A 48 2.299 -0.278 6.757 1.00 0.00 C ATOM 664 OG1 THR A 48 2.745 0.783 5.948 1.00 0.00 O ATOM 665 CG2 THR A 48 3.200 -1.483 6.518 1.00 0.00 C ATOM 0 H THR A 48 0.581 1.205 7.566 1.00 0.00 H new ATOM 0 HA THR A 48 0.646 -0.533 5.428 1.00 0.00 H new ATOM 0 HB THR A 48 2.372 -0.024 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.537 1.636 6.383 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.236 -1.208 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.906 -2.295 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.103 -1.810 5.483 1.00 0.00 H new ATOM 673 N GLY A 49 0.163 -2.220 8.234 1.00 0.00 N ATOM 674 CA GLY A 49 -0.064 -3.601 8.652 1.00 0.00 C ATOM 675 C GLY A 49 -1.282 -4.264 8.003 1.00 0.00 C ATOM 676 O GLY A 49 -1.360 -5.493 7.940 1.00 0.00 O ATOM 0 H GLY A 49 0.151 -1.532 8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.823 -4.190 8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.186 -3.625 9.735 1.00 0.00 H new ATOM 680 N ALA A 50 -2.242 -3.481 7.516 1.00 0.00 N ATOM 681 CA ALA A 50 -3.366 -3.963 6.729 1.00 0.00 C ATOM 682 C ALA A 50 -3.003 -4.088 5.254 1.00 0.00 C ATOM 683 O ALA A 50 -3.332 -5.078 4.605 1.00 0.00 O ATOM 684 CB ALA A 50 -4.469 -2.932 6.876 1.00 0.00 C ATOM 0 H ALA A 50 -2.257 -2.472 7.663 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.668 -4.950 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.340 -3.247 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.742 -2.838 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.119 -1.969 6.505 1.00 0.00 H new ATOM 690 N CYS A 51 -2.345 -3.064 4.717 1.00 0.00 N ATOM 691 CA CYS A 51 -1.961 -2.957 3.330 1.00 0.00 C ATOM 692 C CYS A 51 -1.029 -4.121 2.998 1.00 0.00 C ATOM 693 O CYS A 51 -1.220 -4.815 1.999 1.00 0.00 O ATOM 694 CB CYS A 51 -1.367 -1.558 3.143 1.00 0.00 C ATOM 695 SG CYS A 51 -1.119 -0.989 1.447 1.00 0.00 S ATOM 0 H CYS A 51 -2.057 -2.256 5.269 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.789 -3.045 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.018 -0.844 3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.405 -1.528 3.654 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.334 0.291 1.383 1.00 0.00 H new ATOM 700 N ARG A 52 -0.118 -4.450 3.919 1.00 0.00 N ATOM 701 CA ARG A 52 0.730 -5.615 3.818 1.00 0.00 C ATOM 702 C ARG A 52 -0.103 -6.863 3.626 1.00 0.00 C ATOM 703 O ARG A 52 0.209 -7.588 2.698 1.00 0.00 O ATOM 704 CB ARG A 52 1.677 -5.790 5.003 1.00 0.00 C ATOM 705 CG ARG A 52 2.715 -4.671 5.046 1.00 0.00 C ATOM 706 CD ARG A 52 3.710 -4.797 6.201 1.00 0.00 C ATOM 707 NE ARG A 52 4.673 -5.894 6.037 1.00 0.00 N ATOM 708 CZ ARG A 52 5.271 -6.529 7.052 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.064 -6.173 8.317 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.071 -7.545 6.807 1.00 0.00 N ATOM 0 H ARG A 52 0.044 -3.900 4.762 1.00 0.00 H new ATOM 0 HA ARG A 52 1.360 -5.453 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.106 -5.796 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.180 -6.754 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.264 -4.661 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.200 -3.713 5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.256 -3.859 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.158 -4.946 7.129 1.00 0.00 H new ATOM 0 HE ARG A 52 4.901 -6.191 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.436 -5.399 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.533 -6.675 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.233 -7.846 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.529 -8.031 7.578 1.00 0.00 H new ATOM 724 N ALA A 53 -1.165 -7.111 4.405 1.00 0.00 N ATOM 725 CA ALA A 53 -1.995 -8.301 4.211 1.00 0.00 C ATOM 726 C ALA A 53 -2.529 -8.384 2.786 1.00 0.00 C ATOM 727 O ALA A 53 -2.468 -9.445 2.158 1.00 0.00 O ATOM 728 CB ALA A 53 -3.187 -8.351 5.176 1.00 0.00 C ATOM 0 H ALA A 53 -1.466 -6.506 5.169 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.341 -9.149 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.769 -9.253 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.823 -8.360 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.817 -7.475 5.022 1.00 0.00 H new ATOM 734 N GLN A 54 -3.061 -7.272 2.286 1.00 0.00 N ATOM 735 CA GLN A 54 -3.603 -7.178 0.938 1.00 0.00 C ATOM 736 C GLN A 54 -2.512 -7.277 -0.147 1.00 0.00 C ATOM 737 O GLN A 54 -2.852 -7.428 -1.313 1.00 0.00 O ATOM 738 CB GLN A 54 -4.405 -5.876 0.843 1.00 0.00 C ATOM 739 CG GLN A 54 -5.328 -5.731 -0.378 1.00 0.00 C ATOM 740 CD GLN A 54 -6.612 -6.571 -0.358 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.177 -6.894 0.686 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.155 -6.916 -1.512 1.00 0.00 N ATOM 0 H GLN A 54 -3.128 -6.402 2.814 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.259 -8.028 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.012 -5.782 1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.704 -5.042 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.606 -4.682 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.760 -5.994 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.700 -6.657 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.029 -7.442 -1.527 1.00 0.00 H new ATOM 751 N ALA A 55 -1.219 -7.245 0.170 1.00 0.00 N ATOM 752 CA ALA A 55 -0.185 -7.746 -0.734 1.00 0.00 C ATOM 753 C ALA A 55 0.093 -9.216 -0.409 1.00 0.00 C ATOM 754 O ALA A 55 -0.184 -10.090 -1.231 1.00 0.00 O ATOM 755 CB ALA A 55 1.074 -6.877 -0.640 1.00 0.00 C ATOM 0 H ALA A 55 -0.861 -6.875 1.051 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.528 -7.687 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.834 -7.263 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.829 -5.851 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.455 -6.898 0.381 1.00 0.00 H new ATOM 761 N PHE A 56 0.621 -9.444 0.795 1.00 0.00 N ATOM 762 CA PHE A 56 1.185 -10.652 1.373 1.00 0.00 C ATOM 763 C PHE A 56 0.383 -11.889 0.981 1.00 0.00 C ATOM 764 O PHE A 56 0.902 -12.816 0.361 1.00 0.00 O ATOM 765 CB PHE A 56 1.201 -10.514 2.910 1.00 0.00 C ATOM 766 CG PHE A 56 1.809 -11.722 3.613 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.062 -12.229 3.220 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.093 -12.383 4.631 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.607 -13.354 3.859 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.648 -13.495 5.288 1.00 0.00 C ATOM 771 CZ PHE A 56 2.907 -13.984 4.901 1.00 0.00 C ATOM 0 H PHE A 56 0.665 -8.681 1.470 1.00 0.00 H new ATOM 0 HA PHE A 56 2.198 -10.775 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.764 -9.621 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.181 -10.369 3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.608 -11.749 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.110 -12.032 4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.568 -13.736 3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.106 -13.974 6.091 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.334 -14.840 5.402 1.00 0.00 H new ATOM 781 N GLY A 57 -0.886 -11.902 1.379 1.00 0.00 N ATOM 782 CA GLY A 57 -1.804 -13.028 1.270 1.00 0.00 C ATOM 783 C GLY A 57 -3.018 -12.664 0.433 1.00 0.00 C ATOM 784 O GLY A 57 -4.146 -12.958 0.826 1.00 0.00 O ATOM 0 H GLY A 57 -1.322 -11.086 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.290 -13.878 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.124 -13.338 2.265 1.00 0.00 H new ATOM 788 N ASN A 58 -2.801 -11.993 -0.697 1.00 0.00 N ATOM 789 CA ASN A 58 -3.843 -11.616 -1.641 1.00 0.00 C ATOM 790 C ASN A 58 -3.242 -11.711 -3.052 1.00 0.00 C ATOM 791 O ASN A 58 -3.152 -12.817 -3.580 1.00 0.00 O ATOM 792 CB ASN A 58 -4.348 -10.222 -1.241 1.00 0.00 C ATOM 793 CG ASN A 58 -5.278 -9.581 -2.274 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.371 -10.069 -2.549 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.858 -8.474 -2.867 1.00 0.00 N ATOM 0 H ASN A 58 -1.871 -11.690 -0.986 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.713 -12.272 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.874 -10.296 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.491 -9.567 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.445 -8.014 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.948 -8.081 -2.628 1.00 0.00 H new ATOM 802 N SER A 59 -2.742 -10.607 -3.621 1.00 0.00 N ATOM 803 CA SER A 59 -2.413 -10.506 -5.045 1.00 0.00 C ATOM 804 C SER A 59 -0.932 -10.280 -5.337 1.00 0.00 C ATOM 805 O SER A 59 -0.528 -10.376 -6.497 1.00 0.00 O ATOM 806 CB SER A 59 -3.217 -9.346 -5.646 1.00 0.00 C ATOM 807 OG SER A 59 -4.536 -9.789 -5.926 1.00 0.00 O ATOM 0 H SER A 59 -2.553 -9.751 -3.099 1.00 0.00 H new ATOM 0 HA SER A 59 -2.668 -11.467 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.242 -8.507 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.739 -8.990 -6.558 1.00 0.00 H new ATOM 0 HG SER A 59 -5.055 -9.051 -6.309 1.00 0.00 H new ATOM 813 N CYS A 60 -0.112 -9.935 -4.343 1.00 0.00 N ATOM 814 CA CYS A 60 1.295 -9.656 -4.595 1.00 0.00 C ATOM 815 C CYS A 60 2.061 -10.976 -4.599 1.00 0.00 C ATOM 816 O CYS A 60 1.699 -11.907 -3.873 1.00 0.00 O ATOM 817 CB CYS A 60 1.799 -8.661 -3.554 1.00 0.00 C ATOM 818 SG CYS A 60 3.415 -7.931 -3.897 1.00 0.00 S ATOM 0 H CYS A 60 -0.397 -9.844 -3.368 1.00 0.00 H new ATOM 0 HA CYS A 60 1.448 -9.194 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.069 -7.857 -3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.844 -9.164 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 60 3.289 -7.002 -4.798 1.00 0.00 H new ATOM 823 N LEU A 61 3.103 -11.070 -5.430 1.00 0.00 N ATOM 824 CA LEU A 61 3.898 -12.283 -5.561 1.00 0.00 C ATOM 825 C LEU A 61 4.655 -12.512 -4.255 1.00 0.00 C ATOM 826 O LEU A 61 4.410 -13.510 -3.581 1.00 0.00 O ATOM 827 CB LEU A 61 4.826 -12.182 -6.786 1.00 0.00 C ATOM 828 CG LEU A 61 5.335 -13.533 -7.326 1.00 0.00 C ATOM 829 CD1 LEU A 61 5.978 -14.422 -6.261 1.00 0.00 C ATOM 830 CD2 LEU A 61 4.227 -14.304 -8.056 1.00 0.00 C ATOM 0 H LEU A 61 3.415 -10.305 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 61 3.259 -13.149 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.295 -11.665 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.685 -11.565 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 61 6.121 -13.275 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.311 -15.354 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.833 -13.906 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.249 -14.640 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.623 -15.251 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.404 -14.497 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.865 -13.712 -8.897 1.00 0.00 H new ATOM 842 N ASN A 62 5.541 -11.580 -3.897 1.00 0.00 N ATOM 843 CA ASN A 62 6.226 -11.505 -2.619 1.00 0.00 C ATOM 844 C ASN A 62 6.106 -10.062 -2.144 1.00 0.00 C ATOM 845 O ASN A 62 6.375 -9.141 -2.922 1.00 0.00 O ATOM 846 CB ASN A 62 7.685 -11.980 -2.705 1.00 0.00 C ATOM 847 CG ASN A 62 8.569 -11.171 -3.647 1.00 0.00 C ATOM 848 OD1 ASN A 62 9.220 -10.210 -3.253 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.656 -11.563 -4.910 1.00 0.00 N ATOM 0 H ASN A 62 5.808 -10.823 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 62 5.766 -12.181 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.121 -11.951 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.694 -13.022 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.266 -11.065 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.113 -12.363 -5.234 1.00 0.00 H new ATOM 856 N TRP A 63 5.606 -9.865 -0.922 1.00 0.00 N ATOM 857 CA TRP A 63 5.554 -8.559 -0.275 1.00 0.00 C ATOM 858 C TRP A 63 6.962 -7.994 -0.088 1.00 0.00 C ATOM 859 O TRP A 63 7.082 -6.755 -0.149 1.00 0.00 O ATOM 860 CB TRP A 63 4.796 -8.635 1.060 1.00 0.00 C ATOM 861 CG TRP A 63 5.310 -9.523 2.164 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.247 -10.497 2.092 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.865 -9.539 3.551 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.415 -11.082 3.331 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.570 -10.544 4.269 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.896 -8.810 4.257 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.316 -10.827 5.618 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.634 -9.068 5.618 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.331 -10.088 6.294 1.00 0.00 C ATOM 0 H TRP A 63 5.223 -10.618 -0.351 1.00 0.00 H new ATOM 0 HA TRP A 63 5.004 -7.877 -0.924 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.737 -7.622 1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.776 -8.950 0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.784 -10.775 1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.086 -11.825 3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.340 -8.036 3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.869 -11.601 6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.896 -8.481 6.144 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.109 -10.301 7.329 1.00 0.00 H new TER 880 TRP A 63