USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 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 -85:sc= 1.46 USER MOD Set 1.2: A 51 CYS SG : rot 81:sc= 0.876 USER MOD Set 2.1: A 25 CYS SG : rot 66:sc= 1.75 USER MOD Set 2.2: A 38 CYS SG : rot -77:sc= 0.453 USER MOD Set 3.1: A 27 ASN : amide:sc= 1.37 K(o=4.1,f=5) USER MOD Set 3.2: A 34 CYS SG : rot -168:sc= 1.47 USER MOD Set 3.3: A 60 CYS SG : rot 78:sc= 1.23 USER MOD Set 4.1: A 15 TYR OH : rot 157:sc= 0.746 USER MOD Set 4.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 13 CYS SG : rot -121:sc= 1.03 USER MOD Set 5.2: A 42 CYS SG : rot 150:sc= 0.689 USER MOD Single : A 6 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.14) USER MOD Single : A 10 ASN : amide:sc= -0.0298 K(o=-0.03,f=-9.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 12 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 19 GLN : amide:sc= -0.875! X(o=-0.88!,f=-0.45) USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.25 K(o=1.2,f=-0.094) USER MOD Single : A 32 SER OG : rot 72:sc= 1.28 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.21) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 58 ASN : amide:sc= -2.13! C(o=-2.1!,f=-1.6!) 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 15 N ASP A 2 -7.731 0.067 8.710 1.00 0.00 N ATOM 16 CA ASP A 2 -8.167 0.534 7.406 1.00 0.00 C ATOM 17 C ASP A 2 -7.148 1.569 6.916 1.00 0.00 C ATOM 18 O ASP A 2 -6.573 2.279 7.741 1.00 0.00 O ATOM 19 CB ASP A 2 -9.536 1.209 7.533 1.00 0.00 C ATOM 20 CG ASP A 2 -10.605 0.288 8.118 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.860 -0.790 7.550 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.202 0.608 9.176 1.00 0.00 O ATOM 0 HA ASP A 2 -8.242 -0.302 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.442 2.093 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.858 1.552 6.550 1.00 0.00 H new ATOM 27 N PRO A 3 -6.944 1.713 5.601 1.00 0.00 N ATOM 28 CA PRO A 3 -6.143 2.789 5.017 1.00 0.00 C ATOM 29 C PRO A 3 -6.852 4.148 5.058 1.00 0.00 C ATOM 30 O PRO A 3 -6.216 5.174 4.852 1.00 0.00 O ATOM 31 CB PRO A 3 -5.924 2.361 3.565 1.00 0.00 C ATOM 32 CG PRO A 3 -7.170 1.539 3.250 1.00 0.00 C ATOM 33 CD PRO A 3 -7.512 0.864 4.573 1.00 0.00 C ATOM 0 HA PRO A 3 -5.217 2.927 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.831 3.221 2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.014 1.772 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.987 2.171 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.977 0.806 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.591 0.767 4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.094 -0.142 4.620 1.00 0.00 H new ATOM 41 N GLU A 4 -8.159 4.160 5.313 1.00 0.00 N ATOM 42 CA GLU A 4 -8.997 5.349 5.326 1.00 0.00 C ATOM 43 C GLU A 4 -8.435 6.410 6.282 1.00 0.00 C ATOM 44 O GLU A 4 -8.325 7.590 5.945 1.00 0.00 O ATOM 45 CB GLU A 4 -10.373 4.888 5.833 1.00 0.00 C ATOM 46 CG GLU A 4 -11.446 5.988 5.835 1.00 0.00 C ATOM 47 CD GLU A 4 -12.036 6.241 4.447 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.321 6.721 3.538 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.250 5.978 4.264 1.00 0.00 O ATOM 0 H GLU A 4 -8.679 3.308 5.524 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.047 5.797 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.718 4.061 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.263 4.502 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.246 5.708 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.011 6.913 6.214 1.00 0.00 H new ATOM 56 N GLU A 5 -8.106 5.969 7.498 1.00 0.00 N ATOM 57 CA GLU A 5 -7.766 6.823 8.629 1.00 0.00 C ATOM 58 C GLU A 5 -6.253 6.895 8.823 1.00 0.00 C ATOM 59 O GLU A 5 -5.772 7.394 9.844 1.00 0.00 O ATOM 60 CB GLU A 5 -8.500 6.340 9.893 1.00 0.00 C ATOM 61 CG GLU A 5 -10.027 6.281 9.700 1.00 0.00 C ATOM 62 CD GLU A 5 -10.800 7.005 10.801 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.657 8.240 10.935 1.00 0.00 O ATOM 64 OE2 GLU A 5 -11.659 6.377 11.469 1.00 0.00 O ATOM 0 H GLU A 5 -8.069 4.975 7.726 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.101 7.840 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.133 5.351 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.267 7.008 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.282 6.721 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.343 5.238 9.668 1.00 0.00 H new ATOM 71 N HIS A 6 -5.490 6.373 7.864 1.00 0.00 N ATOM 72 CA HIS A 6 -4.057 6.200 7.956 1.00 0.00 C ATOM 73 C HIS A 6 -3.459 6.554 6.603 1.00 0.00 C ATOM 74 O HIS A 6 -3.455 5.735 5.693 1.00 0.00 O ATOM 75 CB HIS A 6 -3.738 4.756 8.356 1.00 0.00 C ATOM 76 CG HIS A 6 -4.110 4.430 9.774 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.298 4.578 10.881 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.337 3.983 10.190 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.014 4.193 11.950 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.251 3.805 11.582 1.00 0.00 N ATOM 0 H HIS A 6 -5.874 6.051 6.975 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.628 6.850 8.718 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.265 4.077 7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.672 4.577 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.202 3.803 9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.648 4.194 12.966 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.984 3.450 12.196 1.00 0.00 H new ATOM 88 N PHE A 7 -2.925 7.762 6.481 1.00 0.00 N ATOM 89 CA PHE A 7 -2.112 8.214 5.362 1.00 0.00 C ATOM 90 C PHE A 7 -0.891 8.855 6.008 1.00 0.00 C ATOM 91 O PHE A 7 -1.070 9.605 6.972 1.00 0.00 O ATOM 92 CB PHE A 7 -2.900 9.242 4.533 1.00 0.00 C ATOM 93 CG PHE A 7 -2.800 9.150 3.019 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.576 8.916 2.359 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.965 9.354 2.253 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.533 8.854 0.957 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.920 9.286 0.853 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.708 9.001 0.206 1.00 0.00 C ATOM 0 H PHE A 7 -3.053 8.484 7.190 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.833 7.407 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.952 9.158 4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.571 10.237 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.670 8.784 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.901 9.565 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.591 8.692 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.816 9.453 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.680 8.895 -0.868 1.00 0.00 H new ATOM 108 N ASP A 8 0.324 8.548 5.547 1.00 0.00 N ATOM 109 CA ASP A 8 1.493 9.344 5.903 1.00 0.00 C ATOM 110 C ASP A 8 2.605 9.054 4.886 1.00 0.00 C ATOM 111 O ASP A 8 3.420 8.155 5.111 1.00 0.00 O ATOM 112 CB ASP A 8 1.914 9.143 7.378 1.00 0.00 C ATOM 113 CG ASP A 8 2.347 10.489 7.991 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.531 11.433 8.028 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.507 10.599 8.449 1.00 0.00 O ATOM 0 H ASP A 8 0.520 7.759 4.931 1.00 0.00 H new ATOM 0 HA ASP A 8 1.253 10.406 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.084 8.725 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.734 8.427 7.436 1.00 0.00 H new ATOM 120 N PRO A 9 2.597 9.705 3.706 1.00 0.00 N ATOM 121 CA PRO A 9 3.574 9.447 2.647 1.00 0.00 C ATOM 122 C PRO A 9 4.983 9.902 3.043 1.00 0.00 C ATOM 123 O PRO A 9 5.160 10.735 3.935 1.00 0.00 O ATOM 124 CB PRO A 9 3.083 10.210 1.409 1.00 0.00 C ATOM 125 CG PRO A 9 1.678 10.697 1.759 1.00 0.00 C ATOM 126 CD PRO A 9 1.651 10.727 3.282 1.00 0.00 C ATOM 0 HA PRO A 9 3.649 8.377 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.742 11.047 1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.067 9.564 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.484 11.684 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.916 10.027 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.937 11.708 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.651 10.518 3.661 1.00 0.00 H new ATOM 134 N ASN A 10 5.994 9.455 2.302 1.00 0.00 N ATOM 135 CA ASN A 10 7.296 10.109 2.195 1.00 0.00 C ATOM 136 C ASN A 10 7.434 10.707 0.792 1.00 0.00 C ATOM 137 O ASN A 10 6.518 10.622 -0.029 1.00 0.00 O ATOM 138 CB ASN A 10 8.441 9.155 2.581 1.00 0.00 C ATOM 139 CG ASN A 10 8.693 8.017 1.595 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.604 8.200 0.389 1.00 0.00 O ATOM 141 ND2 ASN A 10 9.038 6.845 2.087 1.00 0.00 N ATOM 0 H ASN A 10 5.928 8.604 1.744 1.00 0.00 H new ATOM 0 HA ASN A 10 7.365 10.928 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.358 9.735 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.223 8.726 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.237 6.067 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.106 6.716 3.096 1.00 0.00 H new ATOM 148 N THR A 11 8.573 11.337 0.512 1.00 0.00 N ATOM 149 CA THR A 11 8.805 12.068 -0.730 1.00 0.00 C ATOM 150 C THR A 11 8.918 11.161 -1.965 1.00 0.00 C ATOM 151 O THR A 11 8.787 11.650 -3.087 1.00 0.00 O ATOM 152 CB THR A 11 10.036 12.971 -0.564 1.00 0.00 C ATOM 153 OG1 THR A 11 11.145 12.269 -0.018 1.00 0.00 O ATOM 154 CG2 THR A 11 9.746 14.141 0.386 1.00 0.00 C ATOM 0 H THR A 11 9.369 11.354 1.149 1.00 0.00 H new ATOM 0 HA THR A 11 7.927 12.685 -0.920 1.00 0.00 H new ATOM 0 HB THR A 11 10.272 13.329 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.907 12.879 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.637 14.761 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.928 14.740 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.466 13.754 1.366 1.00 0.00 H new ATOM 162 N ASN A 12 9.162 9.858 -1.784 1.00 0.00 N ATOM 163 CA ASN A 12 9.284 8.881 -2.869 1.00 0.00 C ATOM 164 C ASN A 12 7.903 8.505 -3.403 1.00 0.00 C ATOM 165 O ASN A 12 7.794 7.969 -4.510 1.00 0.00 O ATOM 166 CB ASN A 12 9.989 7.590 -2.398 1.00 0.00 C ATOM 167 CG ASN A 12 11.210 7.808 -1.516 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.407 7.117 -0.523 1.00 0.00 O ATOM 169 ND2 ASN A 12 12.060 8.776 -1.812 1.00 0.00 N ATOM 0 H ASN A 12 9.283 9.446 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 12 9.881 9.348 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.270 6.980 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.291 7.018 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.871 8.942 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.905 9.357 -2.636 1.00 0.00 H new ATOM 176 N CYS A 13 6.853 8.765 -2.625 1.00 0.00 N ATOM 177 CA CYS A 13 5.470 8.586 -2.999 1.00 0.00 C ATOM 178 C CYS A 13 4.908 9.927 -3.467 1.00 0.00 C ATOM 179 O CYS A 13 5.443 10.986 -3.137 1.00 0.00 O ATOM 180 CB CYS A 13 4.734 8.001 -1.790 1.00 0.00 C ATOM 181 SG CYS A 13 4.189 6.303 -2.101 1.00 0.00 S ATOM 0 H CYS A 13 6.959 9.122 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 13 5.347 7.892 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.390 8.020 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.871 8.623 -1.552 1.00 0.00 H new ATOM 0 HG CYS A 13 2.897 6.231 -1.972 1.00 0.00 H new ATOM 186 N ASP A 14 3.817 9.894 -4.232 1.00 0.00 N ATOM 187 CA ASP A 14 3.203 11.080 -4.833 1.00 0.00 C ATOM 188 C ASP A 14 1.687 11.044 -4.657 1.00 0.00 C ATOM 189 O ASP A 14 1.077 12.099 -4.450 1.00 0.00 O ATOM 190 CB ASP A 14 3.534 11.207 -6.332 1.00 0.00 C ATOM 191 CG ASP A 14 5.030 11.284 -6.647 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.721 12.189 -6.137 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.519 10.384 -7.377 1.00 0.00 O ATOM 0 H ASP A 14 3.326 9.028 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 14 3.617 11.946 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.108 10.353 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.046 12.099 -6.725 1.00 0.00 H new ATOM 198 N TYR A 15 1.082 9.848 -4.740 1.00 0.00 N ATOM 199 CA TYR A 15 -0.364 9.671 -4.770 1.00 0.00 C ATOM 200 C TYR A 15 -0.981 10.163 -3.466 1.00 0.00 C ATOM 201 O TYR A 15 -0.588 9.742 -2.380 1.00 0.00 O ATOM 202 CB TYR A 15 -0.751 8.196 -4.999 1.00 0.00 C ATOM 203 CG TYR A 15 -0.569 7.623 -6.400 1.00 0.00 C ATOM 204 CD1 TYR A 15 0.194 8.263 -7.400 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.231 6.423 -6.704 1.00 0.00 C ATOM 206 CE1 TYR A 15 0.265 7.716 -8.694 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.195 5.895 -8.001 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.459 6.548 -9.012 1.00 0.00 C ATOM 209 OH TYR A 15 -0.446 6.021 -10.264 1.00 0.00 O ATOM 0 H TYR A 15 1.598 8.970 -4.788 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.750 10.258 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.168 7.586 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.799 8.078 -4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.725 9.175 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.774 5.901 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.876 8.192 -9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.732 4.986 -8.228 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.673 5.069 -10.220 1.00 0.00 H new ATOM 219 N THR A 16 -2.022 10.982 -3.598 1.00 0.00 N ATOM 220 CA THR A 16 -2.821 11.456 -2.469 1.00 0.00 C ATOM 221 C THR A 16 -4.291 11.092 -2.656 1.00 0.00 C ATOM 222 O THR A 16 -5.182 11.921 -2.488 1.00 0.00 O ATOM 223 CB THR A 16 -2.530 12.933 -2.163 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.563 13.725 -3.343 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.164 13.048 -1.476 1.00 0.00 C ATOM 0 H THR A 16 -2.338 11.339 -4.500 1.00 0.00 H new ATOM 0 HA THR A 16 -2.523 10.934 -1.559 1.00 0.00 H new ATOM 0 HB THR A 16 -3.307 13.310 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.376 14.660 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.954 14.095 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.175 12.478 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.391 12.653 -2.135 1.00 0.00 H new ATOM 233 N ASN A 17 -4.549 9.823 -2.992 1.00 0.00 N ATOM 234 CA ASN A 17 -5.824 9.183 -2.701 1.00 0.00 C ATOM 235 C ASN A 17 -5.466 7.885 -2.008 1.00 0.00 C ATOM 236 O ASN A 17 -4.514 7.217 -2.416 1.00 0.00 O ATOM 237 CB ASN A 17 -6.695 8.882 -3.920 1.00 0.00 C ATOM 238 CG ASN A 17 -6.935 10.111 -4.772 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.943 10.792 -4.645 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.990 10.429 -5.630 1.00 0.00 N ATOM 0 H ASN A 17 -3.880 9.219 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.426 9.866 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.217 8.111 -4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.652 8.479 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.087 11.262 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.160 9.843 -5.715 1.00 0.00 H new ATOM 247 N SER A 18 -6.235 7.539 -0.988 1.00 0.00 N ATOM 248 CA SER A 18 -6.046 6.349 -0.160 1.00 0.00 C ATOM 249 C SER A 18 -6.195 5.118 -1.059 1.00 0.00 C ATOM 250 O SER A 18 -5.339 4.236 -1.067 1.00 0.00 O ATOM 251 CB SER A 18 -7.062 6.379 1.003 1.00 0.00 C ATOM 252 OG SER A 18 -8.331 6.818 0.544 1.00 0.00 O ATOM 0 H SER A 18 -7.039 8.097 -0.700 1.00 0.00 H new ATOM 0 HA SER A 18 -5.053 6.316 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.151 5.385 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.704 7.043 1.790 1.00 0.00 H new ATOM 0 HG SER A 18 -8.963 6.830 1.292 1.00 0.00 H new ATOM 258 N GLN A 19 -7.264 5.113 -1.859 1.00 0.00 N ATOM 259 CA GLN A 19 -7.651 4.057 -2.775 1.00 0.00 C ATOM 260 C GLN A 19 -6.550 3.757 -3.805 1.00 0.00 C ATOM 261 O GLN A 19 -6.105 2.618 -3.895 1.00 0.00 O ATOM 262 CB GLN A 19 -8.987 4.466 -3.422 1.00 0.00 C ATOM 263 CG GLN A 19 -9.872 3.282 -3.829 1.00 0.00 C ATOM 264 CD GLN A 19 -9.232 2.382 -4.872 1.00 0.00 C ATOM 265 OE1 GLN A 19 -8.753 2.862 -5.900 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.230 1.085 -4.644 1.00 0.00 N ATOM 0 H GLN A 19 -7.916 5.897 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.786 3.119 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.539 5.096 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.781 5.072 -4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.105 2.691 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.817 3.661 -4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.635 0.718 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.824 0.447 -5.329 1.00 0.00 H new ATOM 275 N ASP A 20 -6.105 4.745 -4.594 1.00 0.00 N ATOM 276 CA ASP A 20 -5.103 4.525 -5.645 1.00 0.00 C ATOM 277 C ASP A 20 -3.777 4.101 -5.032 1.00 0.00 C ATOM 278 O ASP A 20 -3.169 3.152 -5.516 1.00 0.00 O ATOM 279 CB ASP A 20 -4.893 5.789 -6.488 1.00 0.00 C ATOM 280 CG ASP A 20 -5.849 5.915 -7.673 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.986 4.973 -8.482 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.456 7.006 -7.807 1.00 0.00 O ATOM 0 H ASP A 20 -6.426 5.710 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.475 3.732 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.009 6.663 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.868 5.799 -6.859 1.00 0.00 H new ATOM 287 N ALA A 21 -3.312 4.768 -3.969 1.00 0.00 N ATOM 288 CA ALA A 21 -2.104 4.343 -3.276 1.00 0.00 C ATOM 289 C ALA A 21 -2.224 2.869 -2.886 1.00 0.00 C ATOM 290 O ALA A 21 -1.384 2.061 -3.283 1.00 0.00 O ATOM 291 CB ALA A 21 -1.865 5.240 -2.064 1.00 0.00 C ATOM 0 H ALA A 21 -3.755 5.599 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.241 4.440 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.960 4.920 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.749 6.273 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.715 5.169 -1.385 1.00 0.00 H new ATOM 297 N TRP A 22 -3.284 2.510 -2.157 1.00 0.00 N ATOM 298 CA TRP A 22 -3.554 1.154 -1.703 1.00 0.00 C ATOM 299 C TRP A 22 -3.541 0.177 -2.882 1.00 0.00 C ATOM 300 O TRP A 22 -2.860 -0.845 -2.827 1.00 0.00 O ATOM 301 CB TRP A 22 -4.915 1.135 -0.996 1.00 0.00 C ATOM 302 CG TRP A 22 -5.423 -0.190 -0.522 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.198 -1.046 -1.224 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.273 -0.779 0.798 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.553 -2.111 -0.417 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.034 -1.983 0.858 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.600 -0.375 1.964 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.125 -2.738 2.042 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.733 -1.089 3.164 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.473 -2.276 3.195 1.00 0.00 C ATOM 0 H TRP A 22 -3.995 3.178 -1.861 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.777 0.839 -1.007 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.858 1.802 -0.136 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.655 1.556 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.494 -0.918 -2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.128 -2.895 -0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.969 0.501 1.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.688 -3.659 2.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.264 -0.722 4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.543 -2.841 4.113 1.00 0.00 H new ATOM 321 N ASP A 23 -4.269 0.453 -3.964 1.00 0.00 N ATOM 322 CA ASP A 23 -4.379 -0.470 -5.096 1.00 0.00 C ATOM 323 C ASP A 23 -3.011 -0.738 -5.707 1.00 0.00 C ATOM 324 O ASP A 23 -2.676 -1.884 -6.018 1.00 0.00 O ATOM 325 CB ASP A 23 -5.351 0.044 -6.171 1.00 0.00 C ATOM 326 CG ASP A 23 -6.809 -0.333 -5.903 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.111 -1.037 -4.909 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.674 0.059 -6.710 1.00 0.00 O ATOM 0 H ASP A 23 -4.797 1.318 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.784 -1.404 -4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.270 1.129 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.053 -0.355 -7.140 1.00 0.00 H new ATOM 333 N TYR A 24 -2.187 0.295 -5.858 1.00 0.00 N ATOM 334 CA TYR A 24 -0.857 0.121 -6.407 1.00 0.00 C ATOM 335 C TYR A 24 0.011 -0.688 -5.424 1.00 0.00 C ATOM 336 O TYR A 24 0.668 -1.646 -5.836 1.00 0.00 O ATOM 337 CB TYR A 24 -0.274 1.495 -6.757 1.00 0.00 C ATOM 338 CG TYR A 24 -0.744 2.011 -8.109 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.109 2.282 -8.344 1.00 0.00 C ATOM 340 CD2 TYR A 24 0.187 2.193 -9.151 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.535 2.756 -9.591 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.236 2.647 -10.414 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.599 2.944 -10.629 1.00 0.00 C ATOM 344 OH TYR A 24 -2.016 3.449 -11.820 1.00 0.00 O ATOM 0 H TYR A 24 -2.421 1.256 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.887 -0.455 -7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.554 2.210 -5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.814 1.433 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.830 2.123 -7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.232 1.983 -8.979 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.579 2.977 -9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.479 2.768 -11.215 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.253 3.520 -12.431 1.00 0.00 H new ATOM 354 N CYS A 25 -0.024 -0.356 -4.126 1.00 0.00 N ATOM 355 CA CYS A 25 0.734 -1.042 -3.073 1.00 0.00 C ATOM 356 C CYS A 25 0.422 -2.538 -3.005 1.00 0.00 C ATOM 357 O CYS A 25 1.320 -3.374 -2.902 1.00 0.00 O ATOM 358 CB CYS A 25 0.421 -0.450 -1.688 1.00 0.00 C ATOM 359 SG CYS A 25 0.823 1.286 -1.381 1.00 0.00 S ATOM 0 H CYS A 25 -0.593 0.414 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 25 1.783 -0.899 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.646 -0.581 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.948 -1.049 -0.945 1.00 0.00 H new ATOM 0 HG CYS A 25 0.073 2.043 -2.125 1.00 0.00 H new ATOM 364 N THR A 26 -0.866 -2.871 -3.011 1.00 0.00 N ATOM 365 CA THR A 26 -1.398 -4.196 -2.700 1.00 0.00 C ATOM 366 C THR A 26 -1.335 -5.136 -3.906 1.00 0.00 C ATOM 367 O THR A 26 -1.842 -6.258 -3.855 1.00 0.00 O ATOM 368 CB THR A 26 -2.793 -4.045 -2.086 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.727 -3.456 -2.971 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.723 -3.197 -0.810 1.00 0.00 C ATOM 0 H THR A 26 -1.597 -2.199 -3.242 1.00 0.00 H new ATOM 0 HA THR A 26 -0.769 -4.682 -1.954 1.00 0.00 H new ATOM 0 HB THR A 26 -3.137 -5.055 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.555 -2.493 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.721 -3.098 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.066 -3.681 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.331 -2.209 -1.051 1.00 0.00 H new ATOM 378 N ASN A 27 -0.699 -4.696 -5.001 1.00 0.00 N ATOM 379 CA ASN A 27 -0.699 -5.374 -6.291 1.00 0.00 C ATOM 380 C ASN A 27 -2.150 -5.653 -6.691 1.00 0.00 C ATOM 381 O ASN A 27 -2.556 -6.781 -6.970 1.00 0.00 O ATOM 382 CB ASN A 27 0.172 -6.638 -6.207 1.00 0.00 C ATOM 383 CG ASN A 27 0.516 -7.266 -7.546 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.649 -7.165 -8.001 1.00 0.00 O ATOM 385 ND2 ASN A 27 -0.397 -7.962 -8.183 1.00 0.00 N ATOM 0 H ASN A 27 -0.156 -3.832 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.260 -4.753 -7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.099 -6.390 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.345 -7.378 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.165 -8.423 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.338 -8.042 -7.798 1.00 0.00 H new ATOM 392 N TYR A 28 -2.983 -4.625 -6.613 1.00 0.00 N ATOM 393 CA TYR A 28 -4.262 -4.600 -7.288 1.00 0.00 C ATOM 394 C TYR A 28 -3.985 -4.186 -8.728 1.00 0.00 C ATOM 395 O TYR A 28 -4.257 -4.950 -9.655 1.00 0.00 O ATOM 396 CB TYR A 28 -5.189 -3.655 -6.528 1.00 0.00 C ATOM 397 CG TYR A 28 -6.634 -3.773 -6.915 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.423 -4.817 -6.414 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.194 -2.817 -7.772 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.766 -4.924 -6.787 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.515 -2.943 -8.208 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.308 -4.012 -7.725 1.00 0.00 C ATOM 403 OH TYR A 28 -10.586 -4.173 -8.162 1.00 0.00 O ATOM 0 H TYR A 28 -2.784 -3.782 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.769 -5.565 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.093 -3.850 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.861 -2.629 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.992 -5.541 -5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.600 -1.976 -8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.387 -5.698 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.928 -2.231 -8.907 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.805 -3.463 -8.801 1.00 0.00 H new ATOM 413 N ILE A 29 -3.347 -3.029 -8.886 1.00 0.00 N ATOM 414 CA ILE A 29 -2.922 -2.478 -10.156 1.00 0.00 C ATOM 415 C ILE A 29 -1.452 -2.863 -10.281 1.00 0.00 C ATOM 416 O ILE A 29 -0.607 -2.299 -9.577 1.00 0.00 O ATOM 417 CB ILE A 29 -3.182 -0.958 -10.181 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.695 -0.671 -10.045 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.600 -0.309 -11.445 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.542 -0.794 -11.320 1.00 0.00 C ATOM 0 H ILE A 29 -3.105 -2.431 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.474 -2.866 -11.012 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.671 -0.511 -9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.104 -1.352 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.815 0.339 -9.654 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.801 0.762 -11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.523 -0.475 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.062 -0.752 -12.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.583 -0.568 -11.089 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.176 -0.092 -12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.469 -1.810 -11.708 1.00 0.00 H new ATOM 432 N VAL A 30 -1.150 -3.859 -11.114 1.00 0.00 N ATOM 433 CA VAL A 30 0.220 -4.302 -11.335 1.00 0.00 C ATOM 434 C VAL A 30 1.020 -3.140 -11.886 1.00 0.00 C ATOM 435 O VAL A 30 0.658 -2.603 -12.935 1.00 0.00 O ATOM 436 CB VAL A 30 0.271 -5.577 -12.190 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.604 -5.800 -12.919 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.091 -6.751 -11.230 1.00 0.00 C ATOM 0 H VAL A 30 -1.846 -4.377 -11.650 1.00 0.00 H new ATOM 0 HA VAL A 30 0.684 -4.597 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.501 -5.487 -12.955 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.552 -6.722 -13.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.798 -4.961 -13.588 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.410 -5.875 -12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.120 -7.686 -11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.894 -6.745 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.869 -6.661 -10.722 1.00 0.00 H new ATOM 448 N ASN A 31 2.084 -2.734 -11.177 1.00 0.00 N ATOM 449 CA ASN A 31 2.826 -1.532 -11.563 1.00 0.00 C ATOM 450 C ASN A 31 4.332 -1.763 -11.724 1.00 0.00 C ATOM 451 O ASN A 31 4.749 -1.727 -12.878 1.00 0.00 O ATOM 452 CB ASN A 31 2.410 -0.327 -10.716 1.00 0.00 C ATOM 453 CG ASN A 31 2.664 -0.494 -9.237 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.699 -0.046 -8.759 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.767 -1.130 -8.491 1.00 0.00 N ATOM 0 H ASN A 31 2.442 -3.212 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 31 2.534 -1.269 -12.580 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.947 0.554 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.348 -0.136 -10.872 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.931 -1.256 -7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.914 -1.492 -8.917 1.00 0.00 H new ATOM 462 N SER A 32 5.115 -2.051 -10.667 1.00 0.00 N ATOM 463 CA SER A 32 6.567 -2.371 -10.656 1.00 0.00 C ATOM 464 C SER A 32 7.284 -2.254 -9.286 1.00 0.00 C ATOM 465 O SER A 32 8.503 -2.411 -9.250 1.00 0.00 O ATOM 466 CB SER A 32 7.378 -1.642 -11.757 1.00 0.00 C ATOM 467 OG SER A 32 7.257 -2.299 -13.007 1.00 0.00 O ATOM 0 H SER A 32 4.726 -2.069 -9.724 1.00 0.00 H new ATOM 0 HA SER A 32 6.554 -3.436 -10.888 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.028 -0.614 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.428 -1.596 -11.468 1.00 0.00 H new ATOM 0 HG SER A 32 6.358 -2.151 -13.369 1.00 0.00 H new ATOM 473 N SER A 33 6.590 -2.065 -8.158 1.00 0.00 N ATOM 474 CA SER A 33 7.153 -2.293 -6.819 1.00 0.00 C ATOM 475 C SER A 33 6.305 -3.326 -6.086 1.00 0.00 C ATOM 476 O SER A 33 6.708 -4.486 -6.014 1.00 0.00 O ATOM 477 CB SER A 33 7.328 -0.975 -6.046 1.00 0.00 C ATOM 478 OG SER A 33 7.515 -1.177 -4.657 1.00 0.00 O ATOM 0 H SER A 33 5.620 -1.749 -8.146 1.00 0.00 H new ATOM 0 HA SER A 33 8.160 -2.701 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.184 -0.433 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.451 -0.347 -6.203 1.00 0.00 H new ATOM 0 HG SER A 33 7.623 -0.311 -4.212 1.00 0.00 H new ATOM 484 N CYS A 34 5.111 -2.923 -5.632 1.00 0.00 N ATOM 485 CA CYS A 34 4.274 -3.517 -4.589 1.00 0.00 C ATOM 486 C CYS A 34 5.054 -4.054 -3.366 1.00 0.00 C ATOM 487 O CYS A 34 6.272 -3.899 -3.261 1.00 0.00 O ATOM 488 CB CYS A 34 3.279 -4.499 -5.233 1.00 0.00 C ATOM 489 SG CYS A 34 3.957 -5.763 -6.336 1.00 0.00 S ATOM 0 H CYS A 34 4.667 -2.093 -6.026 1.00 0.00 H new ATOM 0 HA CYS A 34 3.687 -2.725 -4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.738 -5.004 -4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.548 -3.918 -5.795 1.00 0.00 H new ATOM 0 HG CYS A 34 2.988 -6.335 -6.987 1.00 0.00 H new ATOM 494 N GLY A 35 4.345 -4.611 -2.378 1.00 0.00 N ATOM 495 CA GLY A 35 4.939 -5.188 -1.172 1.00 0.00 C ATOM 496 C GLY A 35 4.967 -4.188 -0.015 1.00 0.00 C ATOM 497 O GLY A 35 4.440 -3.080 -0.145 1.00 0.00 O ATOM 0 H GLY A 35 3.327 -4.673 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.373 -6.071 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.954 -5.519 -1.390 1.00 0.00 H new ATOM 501 N GLU A 36 5.529 -4.579 1.142 1.00 0.00 N ATOM 502 CA GLU A 36 5.508 -3.787 2.378 1.00 0.00 C ATOM 503 C GLU A 36 6.116 -2.390 2.171 1.00 0.00 C ATOM 504 O GLU A 36 5.736 -1.447 2.859 1.00 0.00 O ATOM 505 CB GLU A 36 6.241 -4.528 3.509 1.00 0.00 C ATOM 506 CG GLU A 36 7.775 -4.499 3.409 1.00 0.00 C ATOM 507 CD GLU A 36 8.497 -5.469 4.353 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.907 -6.474 4.816 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.679 -5.205 4.673 1.00 0.00 O ATOM 0 H GLU A 36 6.018 -5.469 1.243 1.00 0.00 H new ATOM 0 HA GLU A 36 4.464 -3.654 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.945 -4.091 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.911 -5.567 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.063 -4.729 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.120 -3.486 3.617 1.00 0.00 H new ATOM 516 N ILE A 37 7.043 -2.266 1.218 1.00 0.00 N ATOM 517 CA ILE A 37 7.732 -1.039 0.829 1.00 0.00 C ATOM 518 C ILE A 37 6.727 -0.011 0.338 1.00 0.00 C ATOM 519 O ILE A 37 6.674 1.092 0.867 1.00 0.00 O ATOM 520 CB ILE A 37 8.787 -1.346 -0.248 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.860 -2.229 0.415 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.350 -0.041 -0.858 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.082 -2.459 -0.456 1.00 0.00 C ATOM 0 H ILE A 37 7.349 -3.068 0.667 1.00 0.00 H new ATOM 0 HA ILE A 37 8.245 -0.623 1.696 1.00 0.00 H new ATOM 0 HB ILE A 37 8.357 -1.885 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.173 -1.765 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.419 -3.193 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.094 -0.285 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.539 0.527 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.815 0.556 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.795 -3.089 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.782 -2.952 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.548 -1.502 -0.689 1.00 0.00 H new ATOM 535 N CYS A 38 5.944 -0.352 -0.687 1.00 0.00 N ATOM 536 CA CYS A 38 5.047 0.610 -1.303 1.00 0.00 C ATOM 537 C CYS A 38 4.010 1.078 -0.279 1.00 0.00 C ATOM 538 O CYS A 38 3.664 2.258 -0.244 1.00 0.00 O ATOM 539 CB CYS A 38 4.400 -0.029 -2.529 1.00 0.00 C ATOM 540 SG CYS A 38 3.495 1.163 -3.540 1.00 0.00 S ATOM 0 H CYS A 38 5.917 -1.283 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 38 5.597 1.491 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.171 -0.503 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.719 -0.817 -2.206 1.00 0.00 H new ATOM 0 HG CYS A 38 2.360 1.442 -2.970 1.00 0.00 H new ATOM 545 N CYS A 39 3.567 0.165 0.598 1.00 0.00 N ATOM 546 CA CYS A 39 2.811 0.501 1.787 1.00 0.00 C ATOM 547 C CYS A 39 3.583 1.561 2.572 1.00 0.00 C ATOM 548 O CYS A 39 3.105 2.680 2.670 1.00 0.00 O ATOM 549 CB CYS A 39 2.544 -0.762 2.613 1.00 0.00 C ATOM 550 SG CYS A 39 1.944 -2.227 1.730 1.00 0.00 S ATOM 0 H CYS A 39 3.732 -0.836 0.489 1.00 0.00 H new ATOM 0 HA CYS A 39 1.838 0.915 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.468 -1.032 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.815 -0.512 3.384 1.00 0.00 H new ATOM 0 HG CYS A 39 0.652 -2.159 1.605 1.00 0.00 H new ATOM 555 N ASN A 40 4.774 1.234 3.077 1.00 0.00 N ATOM 556 CA ASN A 40 5.620 2.096 3.903 1.00 0.00 C ATOM 557 C ASN A 40 5.848 3.482 3.306 1.00 0.00 C ATOM 558 O ASN A 40 6.063 4.439 4.051 1.00 0.00 O ATOM 559 CB ASN A 40 7.002 1.439 4.074 1.00 0.00 C ATOM 560 CG ASN A 40 7.203 0.823 5.435 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.200 1.083 6.101 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.297 -0.029 5.878 1.00 0.00 N ATOM 0 H ASN A 40 5.194 0.319 2.913 1.00 0.00 H new ATOM 0 HA ASN A 40 5.094 2.217 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.128 0.670 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.776 2.187 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.421 -0.480 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.473 -0.236 5.314 1.00 0.00 H new ATOM 569 N ASP A 41 5.880 3.587 1.980 1.00 0.00 N ATOM 570 CA ASP A 41 6.248 4.811 1.287 1.00 0.00 C ATOM 571 C ASP A 41 5.049 5.757 1.161 1.00 0.00 C ATOM 572 O ASP A 41 5.246 6.967 1.236 1.00 0.00 O ATOM 573 CB ASP A 41 6.913 4.474 -0.064 1.00 0.00 C ATOM 574 CG ASP A 41 8.439 4.280 0.024 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.002 4.198 1.144 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.076 4.222 -1.051 1.00 0.00 O ATOM 0 H ASP A 41 5.649 2.816 1.354 1.00 0.00 H new ATOM 0 HA ASP A 41 6.988 5.353 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.463 3.565 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.698 5.273 -0.773 1.00 0.00 H new ATOM 581 N CYS A 42 3.805 5.264 1.049 1.00 0.00 N ATOM 582 CA CYS A 42 2.605 6.124 1.086 1.00 0.00 C ATOM 583 C CYS A 42 1.970 6.188 2.479 1.00 0.00 C ATOM 584 O CYS A 42 1.123 7.048 2.738 1.00 0.00 O ATOM 585 CB CYS A 42 1.535 5.669 0.080 1.00 0.00 C ATOM 586 SG CYS A 42 1.079 6.931 -1.144 1.00 0.00 S ATOM 0 H CYS A 42 3.601 4.272 0.932 1.00 0.00 H new ATOM 0 HA CYS A 42 2.959 7.118 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.898 4.785 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.641 5.370 0.628 1.00 0.00 H new ATOM 0 HG CYS A 42 0.721 6.352 -2.252 1.00 0.00 H new ATOM 591 N PHE A 43 2.311 5.264 3.368 1.00 0.00 N ATOM 592 CA PHE A 43 1.567 5.004 4.580 1.00 0.00 C ATOM 593 C PHE A 43 2.527 4.896 5.761 1.00 0.00 C ATOM 594 O PHE A 43 3.618 4.330 5.676 1.00 0.00 O ATOM 595 CB PHE A 43 0.750 3.711 4.422 1.00 0.00 C ATOM 596 CG PHE A 43 -0.409 3.720 3.432 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.674 4.070 3.919 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.303 3.213 2.116 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.820 3.957 3.116 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.456 3.038 1.330 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.717 3.407 1.828 1.00 0.00 C ATOM 0 H PHE A 43 3.130 4.666 3.259 1.00 0.00 H new ATOM 0 HA PHE A 43 0.878 5.827 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.435 2.916 4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.352 3.444 5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.770 4.434 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.667 2.959 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.777 4.292 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.372 2.618 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.602 3.269 1.224 1.00 0.00 H new ATOM 611 N ASP A 44 2.028 5.347 6.908 1.00 0.00 N ATOM 612 CA ASP A 44 2.556 5.089 8.246 1.00 0.00 C ATOM 613 C ASP A 44 2.653 3.579 8.510 1.00 0.00 C ATOM 614 O ASP A 44 2.142 2.750 7.746 1.00 0.00 O ATOM 615 CB ASP A 44 1.577 5.689 9.272 1.00 0.00 C ATOM 616 CG ASP A 44 2.132 6.712 10.240 1.00 0.00 C ATOM 617 OD1 ASP A 44 3.338 6.683 10.546 1.00 0.00 O ATOM 618 OD2 ASP A 44 1.288 7.412 10.839 1.00 0.00 O ATOM 0 H ASP A 44 1.196 5.937 6.931 1.00 0.00 H new ATOM 0 HA ASP A 44 3.548 5.532 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.756 6.152 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.152 4.870 9.852 1.00 0.00 H new ATOM 623 N GLU A 45 3.180 3.220 9.671 1.00 0.00 N ATOM 624 CA GLU A 45 3.423 1.844 10.080 1.00 0.00 C ATOM 625 C GLU A 45 2.116 1.072 10.326 1.00 0.00 C ATOM 626 O GLU A 45 2.061 -0.152 10.159 1.00 0.00 O ATOM 627 CB GLU A 45 4.334 1.858 11.323 1.00 0.00 C ATOM 628 CG GLU A 45 3.611 2.214 12.635 1.00 0.00 C ATOM 629 CD GLU A 45 4.552 2.373 13.832 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.095 3.476 14.049 1.00 0.00 O ATOM 631 OE2 GLU A 45 4.684 1.437 14.662 1.00 0.00 O ATOM 0 H GLU A 45 3.460 3.900 10.378 1.00 0.00 H new ATOM 0 HA GLU A 45 3.925 1.311 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.796 0.877 11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.140 2.574 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.057 3.142 12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.880 1.437 12.859 1.00 0.00 H new ATOM 638 N THR A 46 1.059 1.780 10.725 1.00 0.00 N ATOM 639 CA THR A 46 -0.187 1.196 11.198 1.00 0.00 C ATOM 640 C THR A 46 -1.092 0.801 10.039 1.00 0.00 C ATOM 641 O THR A 46 -1.484 -0.364 9.958 1.00 0.00 O ATOM 642 CB THR A 46 -0.843 2.171 12.177 1.00 0.00 C ATOM 643 OG1 THR A 46 0.093 2.456 13.203 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.127 1.590 12.768 1.00 0.00 C ATOM 0 H THR A 46 1.050 2.800 10.727 1.00 0.00 H new ATOM 0 HA THR A 46 0.012 0.266 11.730 1.00 0.00 H new ATOM 0 HB THR A 46 -1.121 3.084 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.304 3.082 13.844 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.567 2.309 13.459 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.834 1.379 11.966 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.897 0.668 13.301 1.00 0.00 H new ATOM 652 N GLY A 47 -1.374 1.731 9.122 1.00 0.00 N ATOM 653 CA GLY A 47 -2.083 1.443 7.878 1.00 0.00 C ATOM 654 C GLY A 47 -1.353 0.325 7.147 1.00 0.00 C ATOM 655 O GLY A 47 -1.976 -0.649 6.714 1.00 0.00 O ATOM 0 H GLY A 47 -1.113 2.712 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.111 1.148 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.129 2.336 7.254 1.00 0.00 H new ATOM 659 N THR A 48 -0.016 0.405 7.105 1.00 0.00 N ATOM 660 CA THR A 48 0.812 -0.640 6.534 1.00 0.00 C ATOM 661 C THR A 48 0.402 -2.020 7.036 1.00 0.00 C ATOM 662 O THR A 48 0.187 -2.874 6.186 1.00 0.00 O ATOM 663 CB THR A 48 2.299 -0.299 6.648 1.00 0.00 C ATOM 664 OG1 THR A 48 2.556 0.849 5.859 1.00 0.00 O ATOM 665 CG2 THR A 48 3.142 -1.447 6.098 1.00 0.00 C ATOM 0 H THR A 48 0.511 1.199 7.468 1.00 0.00 H new ATOM 0 HA THR A 48 0.634 -0.692 5.460 1.00 0.00 H new ATOM 0 HB THR A 48 2.551 -0.126 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.461 1.653 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.199 -1.195 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.938 -2.354 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.892 -1.613 5.050 1.00 0.00 H new ATOM 673 N GLY A 49 0.169 -2.265 8.326 1.00 0.00 N ATOM 674 CA GLY A 49 -0.191 -3.605 8.787 1.00 0.00 C ATOM 675 C GLY A 49 -1.374 -4.226 8.021 1.00 0.00 C ATOM 676 O GLY A 49 -1.349 -5.423 7.721 1.00 0.00 O ATOM 0 H GLY A 49 0.222 -1.561 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.676 -4.258 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.439 -3.560 9.847 1.00 0.00 H new ATOM 680 N ALA A 50 -2.370 -3.419 7.639 1.00 0.00 N ATOM 681 CA ALA A 50 -3.504 -3.822 6.811 1.00 0.00 C ATOM 682 C ALA A 50 -3.131 -4.017 5.352 1.00 0.00 C ATOM 683 O ALA A 50 -3.535 -5.015 4.751 1.00 0.00 O ATOM 684 CB ALA A 50 -4.576 -2.730 6.884 1.00 0.00 C ATOM 0 H ALA A 50 -2.407 -2.436 7.908 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.862 -4.777 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.430 -3.017 6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.898 -2.605 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.164 -1.790 6.516 1.00 0.00 H new ATOM 690 N CYS A 51 -2.428 -3.047 4.778 1.00 0.00 N ATOM 691 CA CYS A 51 -2.076 -3.014 3.378 1.00 0.00 C ATOM 692 C CYS A 51 -1.127 -4.162 3.073 1.00 0.00 C ATOM 693 O CYS A 51 -1.239 -4.805 2.035 1.00 0.00 O ATOM 694 CB CYS A 51 -1.468 -1.647 3.097 1.00 0.00 C ATOM 695 SG CYS A 51 -1.274 -1.151 1.371 1.00 0.00 S ATOM 0 H CYS A 51 -2.080 -2.241 5.297 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.942 -3.147 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.084 -0.898 3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.485 -1.614 3.568 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.407 -0.703 0.918 1.00 0.00 H new ATOM 700 N ARG A 52 -0.267 -4.513 4.034 1.00 0.00 N ATOM 701 CA ARG A 52 0.576 -5.677 3.940 1.00 0.00 C ATOM 702 C ARG A 52 -0.242 -6.930 3.762 1.00 0.00 C ATOM 703 O ARG A 52 0.140 -7.724 2.927 1.00 0.00 O ATOM 704 CB ARG A 52 1.471 -5.897 5.136 1.00 0.00 C ATOM 705 CG ARG A 52 2.526 -4.829 5.323 1.00 0.00 C ATOM 706 CD ARG A 52 3.259 -5.146 6.614 1.00 0.00 C ATOM 707 NE ARG A 52 4.682 -5.330 6.350 1.00 0.00 N ATOM 708 CZ ARG A 52 5.624 -5.060 7.266 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.333 -4.369 8.364 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.866 -5.462 7.090 1.00 0.00 N ATOM 0 H ARG A 52 -0.146 -3.985 4.898 1.00 0.00 H new ATOM 0 HA ARG A 52 1.205 -5.479 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.855 -5.945 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.963 -6.865 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.217 -4.819 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.069 -3.841 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.116 -4.337 7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.845 -6.048 7.064 1.00 0.00 H new ATOM 0 HE ARG A 52 4.971 -5.677 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.382 -4.036 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.061 -4.172 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.119 -5.984 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.575 -5.251 7.793 1.00 0.00 H new ATOM 724 N ALA A 53 -1.339 -7.140 4.499 1.00 0.00 N ATOM 725 CA ALA A 53 -2.173 -8.322 4.284 1.00 0.00 C ATOM 726 C ALA A 53 -2.613 -8.381 2.825 1.00 0.00 C ATOM 727 O ALA A 53 -2.371 -9.380 2.141 1.00 0.00 O ATOM 728 CB ALA A 53 -3.392 -8.330 5.207 1.00 0.00 C ATOM 0 H ALA A 53 -1.664 -6.516 5.238 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.578 -9.204 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.986 -9.224 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.062 -8.328 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.998 -7.444 5.017 1.00 0.00 H new ATOM 734 N GLN A 54 -3.161 -7.261 2.344 1.00 0.00 N ATOM 735 CA GLN A 54 -3.534 -7.091 0.945 1.00 0.00 C ATOM 736 C GLN A 54 -2.317 -7.137 -0.011 1.00 0.00 C ATOM 737 O GLN A 54 -2.506 -7.130 -1.218 1.00 0.00 O ATOM 738 CB GLN A 54 -4.321 -5.785 0.785 1.00 0.00 C ATOM 739 CG GLN A 54 -5.251 -5.724 -0.442 1.00 0.00 C ATOM 740 CD GLN A 54 -6.586 -6.454 -0.289 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.050 -6.727 0.814 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.265 -6.747 -1.384 1.00 0.00 N ATOM 0 H GLN A 54 -3.358 -6.444 2.922 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.165 -7.933 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.920 -5.628 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.613 -4.958 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.452 -4.678 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.723 -6.143 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.878 -6.520 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.176 -7.201 -1.313 1.00 0.00 H new ATOM 751 N ALA A 55 -1.074 -7.225 0.459 1.00 0.00 N ATOM 752 CA ALA A 55 0.130 -7.386 -0.351 1.00 0.00 C ATOM 753 C ALA A 55 0.906 -8.683 -0.004 1.00 0.00 C ATOM 754 O ALA A 55 1.992 -8.897 -0.533 1.00 0.00 O ATOM 755 CB ALA A 55 1.028 -6.159 -0.155 1.00 0.00 C ATOM 0 H ALA A 55 -0.871 -7.184 1.458 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.171 -7.472 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.931 -6.269 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.492 -5.262 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.301 -6.072 0.897 1.00 0.00 H new ATOM 761 N PHE A 56 0.411 -9.534 0.900 1.00 0.00 N ATOM 762 CA PHE A 56 1.119 -10.684 1.481 1.00 0.00 C ATOM 763 C PHE A 56 0.448 -11.988 1.058 1.00 0.00 C ATOM 764 O PHE A 56 1.080 -12.910 0.558 1.00 0.00 O ATOM 765 CB PHE A 56 1.101 -10.593 3.014 1.00 0.00 C ATOM 766 CG PHE A 56 1.826 -11.713 3.748 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.072 -12.212 3.309 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.237 -12.263 4.900 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.729 -13.216 4.043 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.906 -13.248 5.644 1.00 0.00 C ATOM 771 CZ PHE A 56 3.159 -13.722 5.222 1.00 0.00 C ATOM 0 H PHE A 56 -0.537 -9.438 1.265 1.00 0.00 H new ATOM 0 HA PHE A 56 2.148 -10.670 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.545 -9.642 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.063 -10.577 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.521 -11.822 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.261 -11.925 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.678 -13.600 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.456 -13.642 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.680 -14.470 5.800 1.00 0.00 H new ATOM 781 N GLY A 57 -0.857 -12.062 1.302 1.00 0.00 N ATOM 782 CA GLY A 57 -1.670 -13.229 0.953 1.00 0.00 C ATOM 783 C GLY A 57 -2.602 -13.004 -0.232 1.00 0.00 C ATOM 784 O GLY A 57 -3.205 -13.941 -0.757 1.00 0.00 O ATOM 0 H GLY A 57 -1.385 -11.313 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.008 -14.066 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.265 -13.517 1.820 1.00 0.00 H new ATOM 788 N ASN A 58 -2.744 -11.742 -0.622 1.00 0.00 N ATOM 789 CA ASN A 58 -3.536 -11.275 -1.746 1.00 0.00 C ATOM 790 C ASN A 58 -2.709 -11.453 -3.034 1.00 0.00 C ATOM 791 O ASN A 58 -2.009 -12.454 -3.179 1.00 0.00 O ATOM 792 CB ASN A 58 -3.934 -9.835 -1.426 1.00 0.00 C ATOM 793 CG ASN A 58 -4.859 -9.174 -2.443 1.00 0.00 C ATOM 794 OD1 ASN A 58 -5.955 -9.647 -2.714 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.414 -8.095 -3.065 1.00 0.00 N ATOM 0 H ASN A 58 -2.282 -10.976 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.454 -11.840 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.421 -9.818 -0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.028 -9.235 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.986 -7.646 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.499 -7.711 -2.829 1.00 0.00 H new ATOM 802 N SER A 59 -2.811 -10.557 -4.018 1.00 0.00 N ATOM 803 CA SER A 59 -2.354 -10.845 -5.379 1.00 0.00 C ATOM 804 C SER A 59 -0.851 -10.647 -5.580 1.00 0.00 C ATOM 805 O SER A 59 -0.291 -11.170 -6.543 1.00 0.00 O ATOM 806 CB SER A 59 -3.114 -9.944 -6.338 1.00 0.00 C ATOM 807 OG SER A 59 -4.505 -10.088 -6.124 1.00 0.00 O ATOM 0 H SER A 59 -3.207 -9.625 -3.897 1.00 0.00 H new ATOM 0 HA SER A 59 -2.550 -11.900 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.819 -8.906 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.866 -10.201 -7.368 1.00 0.00 H new ATOM 0 HG SER A 59 -4.993 -9.505 -6.742 1.00 0.00 H new ATOM 813 N CYS A 60 -0.194 -9.890 -4.701 1.00 0.00 N ATOM 814 CA CYS A 60 1.255 -9.781 -4.707 1.00 0.00 C ATOM 815 C CYS A 60 1.782 -11.133 -4.247 1.00 0.00 C ATOM 816 O CYS A 60 1.368 -11.594 -3.183 1.00 0.00 O ATOM 817 CB CYS A 60 1.675 -8.659 -3.762 1.00 0.00 C ATOM 818 SG CYS A 60 3.320 -8.007 -4.017 1.00 0.00 S ATOM 0 H CYS A 60 -0.651 -9.342 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 60 1.655 -9.539 -5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.961 -7.841 -3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.604 -9.025 -2.738 1.00 0.00 H new ATOM 0 HG CYS A 60 3.316 -7.208 -5.042 1.00 0.00 H new ATOM 823 N LEU A 61 2.650 -11.777 -5.025 1.00 0.00 N ATOM 824 CA LEU A 61 3.086 -13.139 -4.712 1.00 0.00 C ATOM 825 C LEU A 61 4.059 -13.156 -3.533 1.00 0.00 C ATOM 826 O LEU A 61 4.074 -14.112 -2.758 1.00 0.00 O ATOM 827 CB LEU A 61 3.731 -13.819 -5.940 1.00 0.00 C ATOM 828 CG LEU A 61 3.242 -15.258 -6.203 1.00 0.00 C ATOM 829 CD1 LEU A 61 3.317 -16.181 -4.980 1.00 0.00 C ATOM 830 CD2 LEU A 61 1.805 -15.251 -6.730 1.00 0.00 C ATOM 0 H LEU A 61 3.063 -11.383 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 61 2.196 -13.703 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.529 -13.213 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.812 -13.835 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 61 3.928 -15.660 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.955 -17.173 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.350 -16.252 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.699 -15.775 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.478 -16.275 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.150 -14.785 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.762 -14.688 -7.662 1.00 0.00 H new ATOM 842 N ASN A 62 4.874 -12.109 -3.407 1.00 0.00 N ATOM 843 CA ASN A 62 5.765 -11.878 -2.281 1.00 0.00 C ATOM 844 C ASN A 62 5.630 -10.416 -1.899 1.00 0.00 C ATOM 845 O ASN A 62 5.728 -9.555 -2.774 1.00 0.00 O ATOM 846 CB ASN A 62 7.220 -12.183 -2.647 1.00 0.00 C ATOM 847 CG ASN A 62 7.636 -13.562 -2.185 1.00 0.00 C ATOM 848 OD1 ASN A 62 8.199 -13.689 -1.106 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.368 -14.599 -2.961 1.00 0.00 N ATOM 0 H ASN A 62 4.930 -11.375 -4.113 1.00 0.00 H new ATOM 0 HA ASN A 62 5.495 -12.535 -1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.347 -12.107 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.873 -11.436 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.632 -15.539 -2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.897 -14.459 -3.855 1.00 0.00 H new ATOM 856 N TRP A 63 5.382 -10.134 -0.624 1.00 0.00 N ATOM 857 CA TRP A 63 5.391 -8.789 -0.090 1.00 0.00 C ATOM 858 C TRP A 63 6.807 -8.210 -0.078 1.00 0.00 C ATOM 859 O TRP A 63 6.927 -7.026 0.313 1.00 0.00 O ATOM 860 CB TRP A 63 4.787 -8.777 1.324 1.00 0.00 C ATOM 861 CG TRP A 63 5.325 -9.663 2.412 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.277 -10.619 2.321 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.923 -9.647 3.814 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.498 -11.176 3.567 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.699 -10.602 4.530 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.952 -8.928 4.542 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.540 -10.806 5.909 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.778 -9.121 5.927 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.578 -10.056 6.609 1.00 0.00 C ATOM 0 H TRP A 63 5.167 -10.848 0.072 1.00 0.00 H new ATOM 0 HA TRP A 63 4.781 -8.159 -0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.852 -7.752 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.728 -9.011 1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.787 -10.904 1.413 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.170 -11.921 3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.328 -8.213 4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.150 -11.531 6.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.033 -8.553 6.463 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.453 -10.198 7.672 1.00 0.00 H new