USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0.082 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00865 USER MOD Single : A 6 SER OG : rot 43:sc= 0.0641 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.39) USER MOD Single : A 16 THR OG1 : rot -110:sc= -1.52! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0748 F(o=-1,f=-0.075) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0367 (180deg=-0.293) USER MOD Single : A 35 SER OG : rot -39:sc= 0.037 USER MOD Single : A 36 ASN : amide:sc= 0.0122 X(o=0.012,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc=-0.00128 F(o=-1,f=-0.0013) USER MOD Single : A 40 MET CE :methyl -137:sc= 0 (180deg=-0.428) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.125 F(o=-1.2,f=-0.13) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.00814 K(o=-0.0081,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.272 15.858 -3.291 1.00 0.00 N ATOM 2 CA PRO A 1 -3.436 16.075 -4.182 1.00 0.00 C ATOM 3 C PRO A 1 -3.789 17.558 -4.236 1.00 0.00 C ATOM 4 O PRO A 1 -2.948 18.404 -3.941 1.00 0.00 O ATOM 5 CB PRO A 1 -4.611 15.266 -3.656 1.00 0.00 C ATOM 6 CG PRO A 1 -4.002 14.409 -2.608 1.00 0.00 C ATOM 7 CD PRO A 1 -2.793 15.160 -2.102 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.840 16.745 -3.033 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.555 15.301 -3.756 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.193 15.749 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -5.389 15.909 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -5.072 14.670 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.709 14.219 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.716 13.439 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.063 15.864 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.050 14.481 -1.682 1.00 0.00 H new ATOM 17 N ASN A 2 -5.026 17.872 -4.619 1.00 0.00 N ATOM 18 CA ASN A 2 -5.469 19.264 -4.724 1.00 0.00 C ATOM 19 C ASN A 2 -5.405 19.957 -3.370 1.00 0.00 C ATOM 20 O ASN A 2 -4.870 21.059 -3.256 1.00 0.00 O ATOM 21 CB ASN A 2 -6.892 19.355 -5.298 1.00 0.00 C ATOM 22 CG ASN A 2 -6.936 19.136 -6.801 1.00 0.00 C ATOM 23 OD1 ASN A 2 -6.090 18.441 -7.370 1.00 0.00 O ATOM 24 ND2 ASN A 2 -7.930 19.719 -7.454 1.00 0.00 N ATOM 0 H ASN A 2 -5.739 17.184 -4.862 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.791 19.773 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.524 18.614 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.311 20.334 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.016 19.601 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.610 20.286 -6.947 1.00 0.00 H new ATOM 31 N ARG A 3 -5.936 19.312 -2.338 1.00 0.00 N ATOM 32 CA ARG A 3 -5.852 19.872 -0.999 1.00 0.00 C ATOM 33 C ARG A 3 -5.630 18.785 0.051 1.00 0.00 C ATOM 34 O ARG A 3 -4.750 18.917 0.899 1.00 0.00 O ATOM 35 CB ARG A 3 -7.097 20.710 -0.666 1.00 0.00 C ATOM 36 CG ARG A 3 -8.384 19.913 -0.511 1.00 0.00 C ATOM 37 CD ARG A 3 -9.541 20.810 -0.102 1.00 0.00 C ATOM 38 NE ARG A 3 -10.706 20.044 0.329 1.00 0.00 N ATOM 39 CZ ARG A 3 -11.784 20.584 0.890 1.00 0.00 C ATOM 40 NH1 ARG A 3 -11.898 21.904 0.984 1.00 0.00 N ATOM 41 NH2 ARG A 3 -12.754 19.797 1.331 1.00 0.00 N ATOM 0 H ARG A 3 -6.421 18.417 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.986 20.533 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.912 21.257 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.239 21.452 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.622 19.415 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.244 19.133 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.221 21.467 0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.818 21.448 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.693 19.033 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.157 22.507 0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.726 22.315 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.671 18.785 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.584 20.203 1.763 1.00 0.00 H new ATOM 55 N SER A 4 -6.405 17.707 -0.014 1.00 0.00 N ATOM 56 CA SER A 4 -6.326 16.652 0.990 1.00 0.00 C ATOM 57 C SER A 4 -6.700 15.301 0.390 1.00 0.00 C ATOM 58 O SER A 4 -7.375 15.239 -0.639 1.00 0.00 O ATOM 59 CB SER A 4 -7.278 16.963 2.151 1.00 0.00 C ATOM 60 OG SER A 4 -7.002 18.227 2.739 1.00 0.00 O ATOM 0 H SER A 4 -7.093 17.541 -0.749 1.00 0.00 H new ATOM 0 HA SER A 4 -5.299 16.607 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.307 16.947 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.193 16.184 2.909 1.00 0.00 H new ATOM 0 HG SER A 4 -7.630 18.390 3.474 1.00 0.00 H new ATOM 66 N ILE A 5 -6.240 14.229 1.022 1.00 0.00 N ATOM 67 CA ILE A 5 -6.690 12.890 0.677 1.00 0.00 C ATOM 68 C ILE A 5 -7.892 12.522 1.540 1.00 0.00 C ATOM 69 O ILE A 5 -7.851 12.641 2.767 1.00 0.00 O ATOM 70 CB ILE A 5 -5.575 11.826 0.845 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.941 11.893 2.239 1.00 0.00 C ATOM 72 CG2 ILE A 5 -4.511 12.000 -0.229 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.893 10.824 2.486 1.00 0.00 C ATOM 0 H ILE A 5 -5.555 14.263 1.777 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.968 12.898 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.033 10.843 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.485 12.874 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.726 11.800 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.735 11.246 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.965 11.886 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.069 12.993 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.490 10.935 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.347 9.839 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.088 10.929 1.759 1.00 0.00 H new ATOM 85 N SER A 6 -8.968 12.110 0.890 1.00 0.00 N ATOM 86 CA SER A 6 -10.210 11.806 1.580 1.00 0.00 C ATOM 87 C SER A 6 -10.047 10.604 2.508 1.00 0.00 C ATOM 88 O SER A 6 -9.606 9.530 2.089 1.00 0.00 O ATOM 89 CB SER A 6 -11.324 11.545 0.561 1.00 0.00 C ATOM 90 OG SER A 6 -10.930 10.573 -0.395 1.00 0.00 O ATOM 0 H SER A 6 -9.006 11.978 -0.121 1.00 0.00 H new ATOM 0 HA SER A 6 -10.480 12.667 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.221 11.206 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.581 12.475 0.053 1.00 0.00 H new ATOM 0 HG SER A 6 -10.466 9.838 0.058 1.00 0.00 H new ATOM 96 N PRO A 7 -10.411 10.775 3.790 1.00 0.00 N ATOM 97 CA PRO A 7 -10.330 9.707 4.790 1.00 0.00 C ATOM 98 C PRO A 7 -11.235 8.535 4.435 1.00 0.00 C ATOM 99 O PRO A 7 -11.048 7.425 4.928 1.00 0.00 O ATOM 100 CB PRO A 7 -10.802 10.373 6.087 1.00 0.00 C ATOM 101 CG PRO A 7 -10.689 11.838 5.838 1.00 0.00 C ATOM 102 CD PRO A 7 -10.922 12.026 4.369 1.00 0.00 C ATOM 0 HA PRO A 7 -9.324 9.293 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.828 10.092 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.186 10.069 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.423 12.391 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.706 12.208 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.978 12.173 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.390 12.896 3.984 1.00 0.00 H new ATOM 110 N SER A 8 -12.205 8.798 3.567 1.00 0.00 N ATOM 111 CA SER A 8 -13.132 7.782 3.104 1.00 0.00 C ATOM 112 C SER A 8 -12.390 6.695 2.331 1.00 0.00 C ATOM 113 O SER A 8 -12.672 5.508 2.487 1.00 0.00 O ATOM 114 CB SER A 8 -14.200 8.434 2.227 1.00 0.00 C ATOM 115 OG SER A 8 -14.731 9.587 2.863 1.00 0.00 O ATOM 0 H SER A 8 -12.368 9.722 3.167 1.00 0.00 H new ATOM 0 HA SER A 8 -13.613 7.314 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.770 8.709 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.000 7.721 2.027 1.00 0.00 H new ATOM 0 HG SER A 8 -15.412 9.994 2.288 1.00 0.00 H new ATOM 121 N ALA A 9 -11.427 7.112 1.515 1.00 0.00 N ATOM 122 CA ALA A 9 -10.604 6.180 0.754 1.00 0.00 C ATOM 123 C ALA A 9 -9.663 5.420 1.676 1.00 0.00 C ATOM 124 O ALA A 9 -9.395 4.232 1.480 1.00 0.00 O ATOM 125 CB ALA A 9 -9.814 6.924 -0.312 1.00 0.00 C ATOM 0 H ALA A 9 -11.197 8.094 1.364 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.260 5.460 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.204 6.216 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.503 7.427 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.169 7.663 0.163 1.00 0.00 H new ATOM 131 N LEU A 10 -9.173 6.119 2.691 1.00 0.00 N ATOM 132 CA LEU A 10 -8.231 5.541 3.639 1.00 0.00 C ATOM 133 C LEU A 10 -8.910 4.497 4.516 1.00 0.00 C ATOM 134 O LEU A 10 -8.416 3.382 4.661 1.00 0.00 O ATOM 135 CB LEU A 10 -7.626 6.641 4.516 1.00 0.00 C ATOM 136 CG LEU A 10 -6.856 7.731 3.764 1.00 0.00 C ATOM 137 CD1 LEU A 10 -6.385 8.808 4.727 1.00 0.00 C ATOM 138 CD2 LEU A 10 -5.674 7.135 3.013 1.00 0.00 C ATOM 0 H LEU A 10 -9.414 7.092 2.879 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.438 5.052 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.428 7.112 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.954 6.178 5.239 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.529 8.185 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.840 9.575 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.247 9.258 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.730 8.364 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.141 7.927 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.000 6.652 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.034 6.399 2.294 1.00 0.00 H new ATOM 150 N GLN A 11 -10.062 4.855 5.070 1.00 0.00 N ATOM 151 CA GLN A 11 -10.788 3.972 5.981 1.00 0.00 C ATOM 152 C GLN A 11 -11.267 2.722 5.258 1.00 0.00 C ATOM 153 O GLN A 11 -11.268 1.623 5.821 1.00 0.00 O ATOM 154 CB GLN A 11 -11.978 4.708 6.601 1.00 0.00 C ATOM 155 CG GLN A 11 -13.085 5.062 5.618 1.00 0.00 C ATOM 156 CD GLN A 11 -14.252 5.765 6.274 1.00 0.00 C ATOM 157 OE1 GLN A 11 -14.275 6.991 6.381 1.00 0.00 O ATOM 158 NE2 GLN A 11 -15.236 4.995 6.706 1.00 0.00 N ATOM 0 H GLN A 11 -10.516 5.753 4.905 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.105 3.670 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.398 4.089 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.618 5.625 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.677 5.700 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.440 4.151 5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.177 3.983 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.055 5.413 7.148 1.00 0.00 H new ATOM 167 N ASP A 12 -11.665 2.903 4.009 1.00 0.00 N ATOM 168 CA ASP A 12 -12.154 1.799 3.188 1.00 0.00 C ATOM 169 C ASP A 12 -11.026 0.805 2.927 1.00 0.00 C ATOM 170 O ASP A 12 -11.250 -0.399 2.822 1.00 0.00 O ATOM 171 CB ASP A 12 -12.714 2.319 1.861 1.00 0.00 C ATOM 172 CG ASP A 12 -13.672 1.340 1.208 1.00 0.00 C ATOM 173 OD1 ASP A 12 -13.227 0.274 0.751 1.00 0.00 O ATOM 174 OD2 ASP A 12 -14.888 1.636 1.158 1.00 0.00 O ATOM 0 H ASP A 12 -11.660 3.807 3.537 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.957 1.296 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.228 3.264 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.889 2.525 1.179 1.00 0.00 H new ATOM 179 N LEU A 13 -9.809 1.321 2.846 1.00 0.00 N ATOM 180 CA LEU A 13 -8.630 0.487 2.671 1.00 0.00 C ATOM 181 C LEU A 13 -8.371 -0.340 3.928 1.00 0.00 C ATOM 182 O LEU A 13 -8.143 -1.547 3.855 1.00 0.00 O ATOM 183 CB LEU A 13 -7.412 1.365 2.353 1.00 0.00 C ATOM 184 CG LEU A 13 -6.110 0.612 2.073 1.00 0.00 C ATOM 185 CD1 LEU A 13 -6.243 -0.240 0.820 1.00 0.00 C ATOM 186 CD2 LEU A 13 -4.953 1.589 1.937 1.00 0.00 C ATOM 0 H LEU A 13 -9.612 2.320 2.899 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.803 -0.195 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.648 1.982 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.246 2.042 3.191 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.905 -0.050 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.307 -0.768 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.047 -0.964 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.471 0.400 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.033 1.039 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.151 2.275 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.844 2.155 2.862 1.00 0.00 H new ATOM 198 N LEU A 14 -8.433 0.319 5.081 1.00 0.00 N ATOM 199 CA LEU A 14 -8.141 -0.321 6.365 1.00 0.00 C ATOM 200 C LEU A 14 -9.097 -1.472 6.642 1.00 0.00 C ATOM 201 O LEU A 14 -8.678 -2.567 7.016 1.00 0.00 O ATOM 202 CB LEU A 14 -8.256 0.698 7.501 1.00 0.00 C ATOM 203 CG LEU A 14 -7.658 2.065 7.195 1.00 0.00 C ATOM 204 CD1 LEU A 14 -7.909 3.028 8.343 1.00 0.00 C ATOM 205 CD2 LEU A 14 -6.167 1.951 6.904 1.00 0.00 C ATOM 0 H LEU A 14 -8.685 1.305 5.155 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.125 -0.711 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.309 0.825 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.765 0.292 8.386 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.148 2.459 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.474 3.999 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.982 3.139 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.451 2.638 9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.762 2.940 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.658 1.532 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.013 1.300 6.043 1.00 0.00 H new ATOM 217 N ARG A 15 -10.383 -1.211 6.450 1.00 0.00 N ATOM 218 CA ARG A 15 -11.420 -2.184 6.798 1.00 0.00 C ATOM 219 C ARG A 15 -11.217 -3.528 6.096 1.00 0.00 C ATOM 220 O ARG A 15 -11.266 -4.582 6.733 1.00 0.00 O ATOM 221 CB ARG A 15 -12.822 -1.625 6.507 1.00 0.00 C ATOM 222 CG ARG A 15 -13.047 -1.130 5.089 1.00 0.00 C ATOM 223 CD ARG A 15 -13.731 -2.183 4.229 1.00 0.00 C ATOM 224 NE ARG A 15 -13.889 -1.748 2.843 1.00 0.00 N ATOM 225 CZ ARG A 15 -14.763 -2.279 1.991 1.00 0.00 C ATOM 226 NH1 ARG A 15 -15.549 -3.277 2.380 1.00 0.00 N ATOM 227 NH2 ARG A 15 -14.853 -1.807 0.754 1.00 0.00 N ATOM 0 H ARG A 15 -10.736 -0.339 6.057 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.334 -2.365 7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.556 -2.402 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.016 -0.803 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.656 -0.226 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.091 -0.859 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.149 -3.104 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.710 -2.413 4.649 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.293 -0.991 2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.483 -3.637 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.219 -3.683 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.253 -1.038 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.522 -2.213 0.101 1.00 0.00 H new ATOM 241 N THR A 16 -10.988 -3.491 4.796 1.00 0.00 N ATOM 242 CA THR A 16 -10.781 -4.707 4.027 1.00 0.00 C ATOM 243 C THR A 16 -9.416 -5.318 4.331 1.00 0.00 C ATOM 244 O THR A 16 -9.275 -6.536 4.396 1.00 0.00 O ATOM 245 CB THR A 16 -10.956 -4.473 2.512 1.00 0.00 C ATOM 246 OG1 THR A 16 -10.594 -5.645 1.776 1.00 0.00 O ATOM 247 CG2 THR A 16 -10.134 -3.295 2.039 1.00 0.00 C ATOM 0 H THR A 16 -10.940 -2.631 4.249 1.00 0.00 H new ATOM 0 HA THR A 16 -11.551 -5.416 4.333 1.00 0.00 H new ATOM 0 HB THR A 16 -12.008 -4.251 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.762 -5.479 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.279 -3.157 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.450 -2.395 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.079 -3.483 2.241 1.00 0.00 H new ATOM 255 N LEU A 17 -8.421 -4.458 4.514 1.00 0.00 N ATOM 256 CA LEU A 17 -7.057 -4.892 4.783 1.00 0.00 C ATOM 257 C LEU A 17 -6.965 -5.619 6.128 1.00 0.00 C ATOM 258 O LEU A 17 -6.046 -6.406 6.359 1.00 0.00 O ATOM 259 CB LEU A 17 -6.115 -3.675 4.745 1.00 0.00 C ATOM 260 CG LEU A 17 -4.623 -3.960 4.935 1.00 0.00 C ATOM 261 CD1 LEU A 17 -3.797 -2.987 4.109 1.00 0.00 C ATOM 262 CD2 LEU A 17 -4.239 -3.838 6.402 1.00 0.00 C ATOM 0 H LEU A 17 -8.537 -3.445 4.480 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.752 -5.600 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.247 -3.171 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.430 -2.975 5.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.422 -4.978 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.737 -3.198 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.051 -3.098 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.010 -1.967 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.175 -4.044 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.453 -2.828 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.813 -4.555 6.989 1.00 0.00 H new ATOM 274 N LYS A 18 -7.936 -5.375 7.000 1.00 0.00 N ATOM 275 CA LYS A 18 -7.957 -6.013 8.307 1.00 0.00 C ATOM 276 C LYS A 18 -8.252 -7.503 8.164 1.00 0.00 C ATOM 277 O LYS A 18 -7.760 -8.322 8.945 1.00 0.00 O ATOM 278 CB LYS A 18 -9.016 -5.361 9.198 1.00 0.00 C ATOM 279 CG LYS A 18 -9.028 -5.899 10.618 1.00 0.00 C ATOM 280 CD LYS A 18 -10.323 -5.563 11.341 1.00 0.00 C ATOM 281 CE LYS A 18 -10.556 -4.063 11.435 1.00 0.00 C ATOM 282 NZ LYS A 18 -11.792 -3.749 12.199 1.00 0.00 N ATOM 0 H LYS A 18 -8.716 -4.742 6.825 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.977 -5.887 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.843 -4.285 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.999 -5.514 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.894 -6.981 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.185 -5.484 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.160 -6.027 10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.298 -5.989 12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.700 -3.591 11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.630 -3.642 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.920 -2.718 12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.612 -4.180 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.710 -4.130 13.163 1.00 0.00 H new ATOM 296 N SER A 19 -9.058 -7.851 7.171 1.00 0.00 N ATOM 297 CA SER A 19 -9.352 -9.246 6.896 1.00 0.00 C ATOM 298 C SER A 19 -8.571 -9.721 5.668 1.00 0.00 C ATOM 299 O SER A 19 -8.974 -9.479 4.530 1.00 0.00 O ATOM 300 CB SER A 19 -10.857 -9.435 6.684 1.00 0.00 C ATOM 301 OG SER A 19 -11.193 -10.809 6.581 1.00 0.00 O ATOM 0 H SER A 19 -9.517 -7.188 6.546 1.00 0.00 H new ATOM 0 HA SER A 19 -9.044 -9.847 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.403 -8.986 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.168 -8.913 5.779 1.00 0.00 H new ATOM 0 HG SER A 19 -12.160 -10.900 6.448 1.00 0.00 H new ATOM 307 N PRO A 20 -7.444 -10.410 5.883 1.00 0.00 N ATOM 308 CA PRO A 20 -6.641 -10.963 4.807 1.00 0.00 C ATOM 309 C PRO A 20 -7.019 -12.412 4.519 1.00 0.00 C ATOM 310 O PRO A 20 -6.461 -13.052 3.628 1.00 0.00 O ATOM 311 CB PRO A 20 -5.228 -10.869 5.377 1.00 0.00 C ATOM 312 CG PRO A 20 -5.394 -11.002 6.861 1.00 0.00 C ATOM 313 CD PRO A 20 -6.837 -10.686 7.190 1.00 0.00 C ATOM 0 HA PRO A 20 -6.769 -10.442 3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.590 -11.658 4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.760 -9.919 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.139 -12.011 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.724 -10.320 7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.326 -11.523 7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.916 -9.827 7.857 1.00 0.00 H new ATOM 321 N SER A 21 -7.990 -12.901 5.276 1.00 0.00 N ATOM 322 CA SER A 21 -8.441 -14.279 5.193 1.00 0.00 C ATOM 323 C SER A 21 -9.531 -14.438 4.140 1.00 0.00 C ATOM 324 O SER A 21 -10.544 -15.104 4.370 1.00 0.00 O ATOM 325 CB SER A 21 -8.954 -14.700 6.567 1.00 0.00 C ATOM 326 OG SER A 21 -9.640 -13.622 7.188 1.00 0.00 O ATOM 0 H SER A 21 -8.490 -12.346 5.971 1.00 0.00 H new ATOM 0 HA SER A 21 -7.609 -14.917 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.622 -15.556 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.120 -15.018 7.193 1.00 0.00 H new ATOM 0 HG SER A 21 -9.966 -13.905 8.068 1.00 0.00 H new ATOM 332 N SER A 22 -9.316 -13.820 2.987 1.00 0.00 N ATOM 333 CA SER A 22 -10.263 -13.877 1.888 1.00 0.00 C ATOM 334 C SER A 22 -9.670 -13.195 0.654 1.00 0.00 C ATOM 335 O SER A 22 -8.608 -12.577 0.751 1.00 0.00 O ATOM 336 CB SER A 22 -11.588 -13.209 2.290 1.00 0.00 C ATOM 337 OG SER A 22 -11.398 -11.848 2.645 1.00 0.00 O ATOM 0 H SER A 22 -8.482 -13.267 2.790 1.00 0.00 H new ATOM 0 HA SER A 22 -10.465 -14.921 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.295 -13.275 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.028 -13.747 3.130 1.00 0.00 H new ATOM 0 HG SER A 22 -12.259 -11.452 2.894 1.00 0.00 H new ATOM 343 N PRO A 23 -10.330 -13.300 -0.519 1.00 0.00 N ATOM 344 CA PRO A 23 -9.911 -12.607 -1.748 1.00 0.00 C ATOM 345 C PRO A 23 -9.696 -11.103 -1.547 1.00 0.00 C ATOM 346 O PRO A 23 -8.983 -10.464 -2.322 1.00 0.00 O ATOM 347 CB PRO A 23 -11.068 -12.856 -2.730 1.00 0.00 C ATOM 348 CG PRO A 23 -12.174 -13.436 -1.915 1.00 0.00 C ATOM 349 CD PRO A 23 -11.517 -14.130 -0.760 1.00 0.00 C ATOM 0 HA PRO A 23 -8.949 -12.981 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.380 -11.928 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.767 -13.540 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.852 -12.657 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.767 -14.135 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.168 -14.169 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.250 -15.158 -1.004 1.00 0.00 H new ATOM 357 N GLN A 24 -10.303 -10.545 -0.496 1.00 0.00 N ATOM 358 CA GLN A 24 -10.267 -9.106 -0.255 1.00 0.00 C ATOM 359 C GLN A 24 -8.843 -8.597 -0.062 1.00 0.00 C ATOM 360 O GLN A 24 -8.563 -7.430 -0.343 1.00 0.00 O ATOM 361 CB GLN A 24 -11.101 -8.738 0.974 1.00 0.00 C ATOM 362 CG GLN A 24 -12.591 -8.981 0.803 1.00 0.00 C ATOM 363 CD GLN A 24 -13.410 -8.407 1.943 1.00 0.00 C ATOM 364 OE1 GLN A 24 -12.830 -8.356 3.135 1.00 0.00 O flip ATOM 365 NE2 GLN A 24 -14.556 -8.001 1.752 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.826 -11.073 0.202 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.689 -8.630 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.745 -9.314 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.939 -7.686 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.922 -8.538 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.775 -10.053 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.968 -8.057 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.093 -7.609 2.525 1.00 0.00 H new ATOM 374 N GLN A 25 -7.944 -9.465 0.395 1.00 0.00 N ATOM 375 CA GLN A 25 -6.566 -9.061 0.626 1.00 0.00 C ATOM 376 C GLN A 25 -5.934 -8.574 -0.673 1.00 0.00 C ATOM 377 O GLN A 25 -5.459 -7.444 -0.755 1.00 0.00 O ATOM 378 CB GLN A 25 -5.741 -10.220 1.192 1.00 0.00 C ATOM 379 CG GLN A 25 -4.322 -9.813 1.567 1.00 0.00 C ATOM 380 CD GLN A 25 -3.394 -10.995 1.787 1.00 0.00 C ATOM 381 OE1 GLN A 25 -2.187 -10.894 1.552 1.00 0.00 O ATOM 382 NE2 GLN A 25 -3.934 -12.118 2.238 1.00 0.00 N ATOM 0 H GLN A 25 -8.145 -10.442 0.610 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.573 -8.249 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.243 -10.620 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.700 -11.023 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.913 -9.181 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.353 -9.211 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.936 -12.164 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.347 -12.936 2.402 1.00 0.00 H new ATOM 391 N GLN A 26 -5.927 -9.429 -1.686 1.00 0.00 N ATOM 392 CA GLN A 26 -5.374 -9.055 -2.977 1.00 0.00 C ATOM 393 C GLN A 26 -6.338 -8.185 -3.789 1.00 0.00 C ATOM 394 O GLN A 26 -5.966 -7.116 -4.258 1.00 0.00 O ATOM 395 CB GLN A 26 -5.012 -10.300 -3.787 1.00 0.00 C ATOM 396 CG GLN A 26 -3.935 -11.162 -3.145 1.00 0.00 C ATOM 397 CD GLN A 26 -3.631 -12.402 -3.964 1.00 0.00 C ATOM 398 OE1 GLN A 26 -2.752 -12.395 -4.829 1.00 0.00 O ATOM 399 NE2 GLN A 26 -4.356 -13.477 -3.698 1.00 0.00 N ATOM 0 H GLN A 26 -6.295 -10.379 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.476 -8.470 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.909 -10.903 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.675 -9.992 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.025 -10.575 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.256 -11.458 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.074 -13.442 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.197 -14.341 -4.217 1.00 0.00 H new ATOM 408 N GLN A 27 -7.577 -8.644 -3.933 1.00 0.00 N ATOM 409 CA GLN A 27 -8.513 -8.041 -4.884 1.00 0.00 C ATOM 410 C GLN A 27 -8.961 -6.644 -4.451 1.00 0.00 C ATOM 411 O GLN A 27 -8.808 -5.674 -5.198 1.00 0.00 O ATOM 412 CB GLN A 27 -9.730 -8.957 -5.059 1.00 0.00 C ATOM 413 CG GLN A 27 -10.376 -8.900 -6.441 1.00 0.00 C ATOM 414 CD GLN A 27 -11.084 -7.593 -6.739 1.00 0.00 C ATOM 415 OE1 GLN A 27 -11.615 -6.936 -5.845 1.00 0.00 O ATOM 416 NE2 GLN A 27 -11.097 -7.210 -8.005 1.00 0.00 N ATOM 0 H GLN A 27 -7.959 -9.430 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.993 -7.929 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.427 -9.984 -4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.478 -8.692 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.608 -9.065 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.092 -9.717 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.644 -7.784 -8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.560 -6.340 -8.270 1.00 0.00 H new ATOM 425 N GLN A 28 -9.488 -6.542 -3.237 1.00 0.00 N ATOM 426 CA GLN A 28 -10.089 -5.297 -2.771 1.00 0.00 C ATOM 427 C GLN A 28 -9.033 -4.238 -2.501 1.00 0.00 C ATOM 428 O GLN A 28 -9.147 -3.105 -2.970 1.00 0.00 O ATOM 429 CB GLN A 28 -10.925 -5.532 -1.513 1.00 0.00 C ATOM 430 CG GLN A 28 -12.134 -6.421 -1.741 1.00 0.00 C ATOM 431 CD GLN A 28 -13.162 -5.804 -2.673 1.00 0.00 C ATOM 432 OE1 GLN A 28 -13.281 -4.484 -2.645 1.00 0.00 O flip ATOM 433 NE2 GLN A 28 -13.859 -6.512 -3.395 1.00 0.00 N flip ATOM 0 H GLN A 28 -9.512 -7.303 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.742 -4.935 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.294 -5.982 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.260 -4.570 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.804 -7.374 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.605 -6.636 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.737 -7.525 -3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.560 -6.087 -4.002 1.00 0.00 H new ATOM 442 N VAL A 29 -8.001 -4.618 -1.759 1.00 0.00 N ATOM 443 CA VAL A 29 -6.944 -3.686 -1.398 1.00 0.00 C ATOM 444 C VAL A 29 -6.263 -3.123 -2.642 1.00 0.00 C ATOM 445 O VAL A 29 -5.975 -1.936 -2.699 1.00 0.00 O ATOM 446 CB VAL A 29 -5.889 -4.340 -0.481 1.00 0.00 C ATOM 447 CG1 VAL A 29 -4.759 -3.368 -0.172 1.00 0.00 C ATOM 448 CG2 VAL A 29 -6.533 -4.828 0.808 1.00 0.00 C ATOM 0 H VAL A 29 -7.875 -5.563 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.416 -2.872 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.468 -5.196 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.029 -3.853 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.276 -3.065 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.162 -2.489 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.775 -5.286 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.983 -3.985 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.303 -5.563 0.574 1.00 0.00 H new ATOM 458 N LEU A 30 -6.047 -3.971 -3.645 1.00 0.00 N ATOM 459 CA LEU A 30 -5.367 -3.562 -4.875 1.00 0.00 C ATOM 460 C LEU A 30 -6.050 -2.354 -5.519 1.00 0.00 C ATOM 461 O LEU A 30 -5.389 -1.391 -5.913 1.00 0.00 O ATOM 462 CB LEU A 30 -5.338 -4.726 -5.871 1.00 0.00 C ATOM 463 CG LEU A 30 -4.518 -4.498 -7.140 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.034 -4.434 -6.813 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.799 -5.597 -8.151 1.00 0.00 C ATOM 0 H LEU A 30 -6.334 -4.950 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.348 -3.277 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.945 -5.606 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.363 -4.957 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.810 -3.543 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.466 -4.271 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.849 -3.613 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.722 -5.372 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.209 -5.423 -9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.531 -6.563 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.859 -5.594 -8.406 1.00 0.00 H new ATOM 477 N ASN A 31 -7.373 -2.411 -5.621 1.00 0.00 N ATOM 478 CA ASN A 31 -8.140 -1.335 -6.243 1.00 0.00 C ATOM 479 C ASN A 31 -8.100 -0.068 -5.394 1.00 0.00 C ATOM 480 O ASN A 31 -7.821 1.024 -5.898 1.00 0.00 O ATOM 481 CB ASN A 31 -9.594 -1.762 -6.461 1.00 0.00 C ATOM 482 CG ASN A 31 -10.427 -0.670 -7.111 1.00 0.00 C ATOM 483 OD1 ASN A 31 -11.032 0.163 -6.430 1.00 0.00 O ATOM 484 ND2 ASN A 31 -10.469 -0.668 -8.436 1.00 0.00 N ATOM 0 H ASN A 31 -7.938 -3.190 -5.282 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.682 -1.122 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.618 -2.654 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.038 -2.032 -5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.015 0.039 -8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.955 -1.374 -8.964 1.00 0.00 H new ATOM 491 N ILE A 32 -8.352 -0.229 -4.101 1.00 0.00 N ATOM 492 CA ILE A 32 -8.429 0.900 -3.183 1.00 0.00 C ATOM 493 C ILE A 32 -7.060 1.549 -3.030 1.00 0.00 C ATOM 494 O ILE A 32 -6.933 2.774 -2.973 1.00 0.00 O ATOM 495 CB ILE A 32 -8.945 0.452 -1.803 1.00 0.00 C ATOM 496 CG1 ILE A 32 -10.281 -0.280 -1.954 1.00 0.00 C ATOM 497 CG2 ILE A 32 -9.097 1.652 -0.880 1.00 0.00 C ATOM 498 CD1 ILE A 32 -10.763 -0.929 -0.676 1.00 0.00 C ATOM 0 H ILE A 32 -8.507 -1.137 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.128 1.625 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.220 -0.232 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.036 0.426 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.182 -1.044 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.463 1.320 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.131 2.141 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.807 2.357 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.714 -1.429 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.028 -1.660 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.895 -0.167 0.092 1.00 0.00 H new ATOM 510 N LEU A 33 -6.042 0.711 -2.986 1.00 0.00 N ATOM 511 CA LEU A 33 -4.668 1.164 -2.878 1.00 0.00 C ATOM 512 C LEU A 33 -4.285 1.984 -4.104 1.00 0.00 C ATOM 513 O LEU A 33 -3.601 2.996 -3.990 1.00 0.00 O ATOM 514 CB LEU A 33 -3.740 -0.046 -2.725 1.00 0.00 C ATOM 515 CG LEU A 33 -2.298 0.258 -2.333 1.00 0.00 C ATOM 516 CD1 LEU A 33 -2.262 1.063 -1.049 1.00 0.00 C ATOM 517 CD2 LEU A 33 -1.516 -1.035 -2.170 1.00 0.00 C ATOM 0 H LEU A 33 -6.144 -0.303 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.566 1.800 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.166 -0.712 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.731 -0.592 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.835 0.847 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.227 1.273 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.797 2.002 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.736 0.494 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.488 -0.806 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.977 -1.643 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.522 -1.585 -3.111 1.00 0.00 H new ATOM 529 N LYS A 34 -4.764 1.559 -5.271 1.00 0.00 N ATOM 530 CA LYS A 34 -4.460 2.242 -6.525 1.00 0.00 C ATOM 531 C LYS A 34 -5.086 3.633 -6.546 1.00 0.00 C ATOM 532 O LYS A 34 -4.574 4.551 -7.190 1.00 0.00 O ATOM 533 CB LYS A 34 -4.966 1.424 -7.713 1.00 0.00 C ATOM 534 CG LYS A 34 -4.416 1.890 -9.053 1.00 0.00 C ATOM 535 CD LYS A 34 -4.995 1.088 -10.204 1.00 0.00 C ATOM 536 CE LYS A 34 -4.342 1.446 -11.530 1.00 0.00 C ATOM 537 NZ LYS A 34 -2.893 1.112 -11.544 1.00 0.00 N ATOM 0 H LYS A 34 -5.366 0.742 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.378 2.346 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.698 0.378 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.055 1.473 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.645 2.946 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.330 1.796 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.861 0.024 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.068 1.267 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.845 0.914 -12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.471 2.511 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.550 1.096 -12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.366 1.829 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.748 0.178 -11.111 1.00 0.00 H new ATOM 551 N SER A 35 -6.193 3.785 -5.829 1.00 0.00 N ATOM 552 CA SER A 35 -6.875 5.067 -5.749 1.00 0.00 C ATOM 553 C SER A 35 -6.146 5.993 -4.777 1.00 0.00 C ATOM 554 O SER A 35 -6.441 7.187 -4.693 1.00 0.00 O ATOM 555 CB SER A 35 -8.330 4.864 -5.316 1.00 0.00 C ATOM 556 OG SER A 35 -9.107 6.023 -5.566 1.00 0.00 O ATOM 0 H SER A 35 -6.636 3.036 -5.296 1.00 0.00 H new ATOM 0 HA SER A 35 -6.871 5.532 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.756 4.015 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.365 4.622 -4.254 1.00 0.00 H new ATOM 0 HG SER A 35 -8.580 6.822 -5.356 1.00 0.00 H new ATOM 562 N ASN A 36 -5.190 5.428 -4.050 1.00 0.00 N ATOM 563 CA ASN A 36 -4.357 6.187 -3.127 1.00 0.00 C ATOM 564 C ASN A 36 -2.902 6.129 -3.582 1.00 0.00 C ATOM 565 O ASN A 36 -2.109 5.342 -3.061 1.00 0.00 O ATOM 566 CB ASN A 36 -4.491 5.640 -1.700 1.00 0.00 C ATOM 567 CG ASN A 36 -5.845 5.931 -1.079 1.00 0.00 C ATOM 568 OD1 ASN A 36 -6.045 6.978 -0.465 1.00 0.00 O ATOM 569 ND2 ASN A 36 -6.783 5.008 -1.230 1.00 0.00 N ATOM 0 H ASN A 36 -4.971 4.432 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.691 7.225 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.327 4.562 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.710 6.074 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.710 5.153 -0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.578 4.152 -1.746 1.00 0.00 H new ATOM 576 N PRO A 37 -2.531 6.987 -4.548 1.00 0.00 N ATOM 577 CA PRO A 37 -1.225 6.929 -5.224 1.00 0.00 C ATOM 578 C PRO A 37 -0.040 6.983 -4.264 1.00 0.00 C ATOM 579 O PRO A 37 0.971 6.321 -4.486 1.00 0.00 O ATOM 580 CB PRO A 37 -1.233 8.169 -6.122 1.00 0.00 C ATOM 581 CG PRO A 37 -2.674 8.474 -6.332 1.00 0.00 C ATOM 582 CD PRO A 37 -3.360 8.093 -5.056 1.00 0.00 C ATOM 0 HA PRO A 37 -1.101 5.987 -5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.716 9.004 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.727 7.976 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.822 9.531 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.074 7.911 -7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.396 8.926 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.389 7.778 -5.230 1.00 0.00 H new ATOM 590 N GLN A 38 -0.178 7.759 -3.197 1.00 0.00 N ATOM 591 CA GLN A 38 0.893 7.923 -2.221 1.00 0.00 C ATOM 592 C GLN A 38 1.285 6.584 -1.604 1.00 0.00 C ATOM 593 O GLN A 38 2.467 6.239 -1.534 1.00 0.00 O ATOM 594 CB GLN A 38 0.459 8.899 -1.123 1.00 0.00 C ATOM 595 CG GLN A 38 1.477 9.065 -0.005 1.00 0.00 C ATOM 596 CD GLN A 38 1.042 10.068 1.046 1.00 0.00 C ATOM 597 OE1 GLN A 38 0.294 11.082 0.637 1.00 0.00 O flip ATOM 598 NE2 GLN A 38 1.393 9.938 2.218 1.00 0.00 N flip ATOM 0 H GLN A 38 -1.024 8.287 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 38 1.763 8.327 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.266 9.873 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.482 8.553 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.647 8.099 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.429 9.383 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.969 9.142 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.108 10.626 2.915 1.00 0.00 H new ATOM 607 N LEU A 39 0.285 5.829 -1.173 1.00 0.00 N ATOM 608 CA LEU A 39 0.523 4.554 -0.514 1.00 0.00 C ATOM 609 C LEU A 39 0.905 3.493 -1.542 1.00 0.00 C ATOM 610 O LEU A 39 1.780 2.662 -1.295 1.00 0.00 O ATOM 611 CB LEU A 39 -0.722 4.122 0.277 1.00 0.00 C ATOM 612 CG LEU A 39 -0.451 3.434 1.627 1.00 0.00 C ATOM 613 CD1 LEU A 39 0.250 2.099 1.439 1.00 0.00 C ATOM 614 CD2 LEU A 39 0.373 4.343 2.527 1.00 0.00 C ATOM 0 H LEU A 39 -0.700 6.078 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 39 1.350 4.668 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.339 5.002 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.307 3.444 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.412 3.241 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.426 1.640 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.376 1.441 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.203 2.256 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.557 3.844 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.325 4.567 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.171 5.271 2.704 1.00 0.00 H new ATOM 626 N MET A 40 0.258 3.535 -2.706 1.00 0.00 N ATOM 627 CA MET A 40 0.542 2.580 -3.774 1.00 0.00 C ATOM 628 C MET A 40 1.994 2.684 -4.214 1.00 0.00 C ATOM 629 O MET A 40 2.683 1.677 -4.351 1.00 0.00 O ATOM 630 CB MET A 40 -0.369 2.832 -4.972 1.00 0.00 C ATOM 631 CG MET A 40 -1.197 1.626 -5.370 1.00 0.00 C ATOM 632 SD MET A 40 -0.200 0.196 -5.828 1.00 0.00 S ATOM 633 CE MET A 40 -1.477 -1.041 -6.054 1.00 0.00 C ATOM 0 H MET A 40 -0.464 4.219 -2.932 1.00 0.00 H new ATOM 0 HA MET A 40 0.358 1.578 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.038 3.661 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.240 3.141 -5.822 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.851 1.354 -4.542 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.839 1.896 -6.208 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.158 -1.980 -5.601 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.399 -0.703 -5.580 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.652 -1.193 -7.119 1.00 0.00 H new ATOM 643 N ALA A 41 2.454 3.915 -4.410 1.00 0.00 N ATOM 644 CA ALA A 41 3.825 4.170 -4.829 1.00 0.00 C ATOM 645 C ALA A 41 4.823 3.574 -3.844 1.00 0.00 C ATOM 646 O ALA A 41 5.867 3.056 -4.242 1.00 0.00 O ATOM 647 CB ALA A 41 4.064 5.665 -4.986 1.00 0.00 C ATOM 0 H ALA A 41 1.892 4.757 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 41 3.975 3.687 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.094 5.838 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.384 6.065 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.886 6.164 -4.033 1.00 0.00 H new ATOM 653 N ALA A 42 4.497 3.644 -2.558 1.00 0.00 N ATOM 654 CA ALA A 42 5.363 3.097 -1.523 1.00 0.00 C ATOM 655 C ALA A 42 5.396 1.575 -1.605 1.00 0.00 C ATOM 656 O ALA A 42 6.464 0.958 -1.558 1.00 0.00 O ATOM 657 CB ALA A 42 4.892 3.550 -0.151 1.00 0.00 C ATOM 0 H ALA A 42 3.640 4.074 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 42 6.375 3.469 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.548 3.134 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.917 4.638 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.873 3.202 0.017 1.00 0.00 H new ATOM 663 N PHE A 43 4.219 0.985 -1.754 1.00 0.00 N ATOM 664 CA PHE A 43 4.081 -0.461 -1.851 1.00 0.00 C ATOM 665 C PHE A 43 4.766 -0.986 -3.112 1.00 0.00 C ATOM 666 O PHE A 43 5.461 -2.001 -3.072 1.00 0.00 O ATOM 667 CB PHE A 43 2.595 -0.842 -1.839 1.00 0.00 C ATOM 668 CG PHE A 43 2.336 -2.314 -1.989 1.00 0.00 C ATOM 669 CD1 PHE A 43 2.864 -3.224 -1.087 1.00 0.00 C ATOM 670 CD2 PHE A 43 1.562 -2.787 -3.037 1.00 0.00 C ATOM 671 CE1 PHE A 43 2.625 -4.577 -1.228 1.00 0.00 C ATOM 672 CE2 PHE A 43 1.319 -4.139 -3.184 1.00 0.00 C ATOM 673 CZ PHE A 43 1.854 -5.035 -2.278 1.00 0.00 C ATOM 0 H PHE A 43 3.336 1.493 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 43 4.568 -0.921 -0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.151 -0.500 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.089 -0.311 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.469 -2.871 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.144 -2.090 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.041 -5.276 -0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.713 -4.495 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.669 -6.093 -2.391 1.00 0.00 H new ATOM 683 N ILE A 44 4.576 -0.279 -4.220 1.00 0.00 N ATOM 684 CA ILE A 44 5.177 -0.658 -5.493 1.00 0.00 C ATOM 685 C ILE A 44 6.702 -0.582 -5.430 1.00 0.00 C ATOM 686 O ILE A 44 7.397 -1.492 -5.881 1.00 0.00 O ATOM 687 CB ILE A 44 4.664 0.243 -6.641 1.00 0.00 C ATOM 688 CG1 ILE A 44 3.174 -0.006 -6.895 1.00 0.00 C ATOM 689 CG2 ILE A 44 5.462 0.004 -7.914 1.00 0.00 C ATOM 690 CD1 ILE A 44 2.568 0.954 -7.896 1.00 0.00 C ATOM 0 H ILE A 44 4.006 0.566 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 44 4.884 -1.689 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 44 4.798 1.282 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.039 -1.027 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.633 0.074 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.083 0.649 -8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.513 0.231 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.363 -1.039 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.511 0.722 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.672 1.975 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.084 0.857 -8.851 1.00 0.00 H new ATOM 702 N LYS A 45 7.216 0.502 -4.856 1.00 0.00 N ATOM 703 CA LYS A 45 8.653 0.724 -4.786 1.00 0.00 C ATOM 704 C LYS A 45 9.340 -0.324 -3.916 1.00 0.00 C ATOM 705 O LYS A 45 10.314 -0.943 -4.340 1.00 0.00 O ATOM 706 CB LYS A 45 8.934 2.131 -4.247 1.00 0.00 C ATOM 707 CG LYS A 45 10.398 2.401 -3.924 1.00 0.00 C ATOM 708 CD LYS A 45 11.297 2.261 -5.144 1.00 0.00 C ATOM 709 CE LYS A 45 10.939 3.263 -6.229 1.00 0.00 C ATOM 710 NZ LYS A 45 11.876 3.194 -7.381 1.00 0.00 N ATOM 0 H LYS A 45 6.655 1.241 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 45 9.060 0.634 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.596 2.862 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.341 2.287 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.498 3.407 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.730 1.709 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.336 2.403 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.214 1.250 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.923 3.074 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.951 4.270 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.596 3.893 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.842 3.399 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.846 2.241 -7.796 1.00 0.00 H new ATOM 724 N GLN A 46 8.816 -0.544 -2.718 1.00 0.00 N ATOM 725 CA GLN A 46 9.458 -1.443 -1.770 1.00 0.00 C ATOM 726 C GLN A 46 9.132 -2.899 -2.064 1.00 0.00 C ATOM 727 O GLN A 46 9.937 -3.789 -1.785 1.00 0.00 O ATOM 728 CB GLN A 46 9.049 -1.102 -0.338 1.00 0.00 C ATOM 729 CG GLN A 46 9.465 0.294 0.099 1.00 0.00 C ATOM 730 CD GLN A 46 9.023 0.610 1.514 1.00 0.00 C ATOM 731 OE1 GLN A 46 7.922 1.111 1.735 1.00 0.00 O ATOM 732 NE2 GLN A 46 9.880 0.327 2.482 1.00 0.00 N ATOM 0 H GLN A 46 7.954 -0.115 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 46 10.534 -1.307 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.967 -1.195 -0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.490 -1.832 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.549 0.386 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.039 1.028 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.784 -0.088 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.636 0.524 3.453 1.00 0.00 H new ATOM 741 N ARG A 47 7.946 -3.132 -2.633 1.00 0.00 N ATOM 742 CA ARG A 47 7.449 -4.483 -2.886 1.00 0.00 C ATOM 743 C ARG A 47 7.412 -5.265 -1.580 1.00 0.00 C ATOM 744 O ARG A 47 7.694 -6.466 -1.545 1.00 0.00 O ATOM 745 CB ARG A 47 8.322 -5.198 -3.926 1.00 0.00 C ATOM 746 CG ARG A 47 8.430 -4.437 -5.236 1.00 0.00 C ATOM 747 CD ARG A 47 9.388 -5.104 -6.207 1.00 0.00 C ATOM 748 NE ARG A 47 8.878 -6.380 -6.715 1.00 0.00 N ATOM 749 CZ ARG A 47 8.613 -6.606 -8.001 1.00 0.00 C ATOM 750 NH1 ARG A 47 8.693 -5.616 -8.880 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.231 -7.809 -8.406 1.00 0.00 N ATOM 0 H ARG A 47 7.308 -2.393 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 47 6.438 -4.420 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.321 -5.345 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.909 -6.188 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.444 -4.363 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.766 -3.419 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.576 -4.433 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.344 -5.271 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 47 8.717 -7.135 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.958 -4.680 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.490 -5.790 -9.864 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.138 -8.569 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.030 -7.975 -9.392 1.00 0.00 H new ATOM 765 N THR A 48 7.043 -4.559 -0.507 1.00 0.00 N ATOM 766 CA THR A 48 7.105 -5.085 0.853 1.00 0.00 C ATOM 767 C THR A 48 8.561 -5.185 1.323 1.00 0.00 C ATOM 768 O THR A 48 8.981 -4.433 2.205 1.00 0.00 O ATOM 769 CB THR A 48 6.400 -6.458 0.979 1.00 0.00 C ATOM 770 OG1 THR A 48 5.038 -6.348 0.532 1.00 0.00 O ATOM 771 CG2 THR A 48 6.428 -6.964 2.416 1.00 0.00 C ATOM 0 H THR A 48 6.692 -3.603 -0.561 1.00 0.00 H new ATOM 0 HA THR A 48 6.571 -4.386 1.496 1.00 0.00 H new ATOM 0 HB THR A 48 6.937 -7.173 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.596 -7.219 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.925 -7.930 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.462 -7.074 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.917 -6.251 3.063 1.00 0.00 H new ATOM 779 N ALA A 49 9.328 -6.082 0.698 1.00 0.00 N ATOM 780 CA ALA A 49 10.741 -6.279 1.023 1.00 0.00 C ATOM 781 C ALA A 49 11.347 -7.340 0.110 1.00 0.00 C ATOM 782 O ALA A 49 11.293 -8.530 0.416 1.00 0.00 O ATOM 783 CB ALA A 49 10.912 -6.693 2.479 1.00 0.00 C ATOM 0 H ALA A 49 8.987 -6.691 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 49 11.259 -5.333 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.971 -6.833 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.509 -5.916 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.379 -7.627 2.657 1.00 0.00 H new ATOM 789 N LYS A 50 11.909 -6.920 -1.017 1.00 0.00 N ATOM 790 CA LYS A 50 12.479 -7.871 -1.960 1.00 0.00 C ATOM 791 C LYS A 50 13.964 -7.607 -2.184 1.00 0.00 C ATOM 792 O LYS A 50 14.788 -8.509 -2.030 1.00 0.00 O ATOM 793 CB LYS A 50 11.721 -7.834 -3.290 1.00 0.00 C ATOM 794 CG LYS A 50 12.058 -8.986 -4.235 1.00 0.00 C ATOM 795 CD LYS A 50 11.487 -10.321 -3.753 1.00 0.00 C ATOM 796 CE LYS A 50 12.234 -10.875 -2.543 1.00 0.00 C ATOM 797 NZ LYS A 50 11.599 -12.105 -2.003 1.00 0.00 N ATOM 0 H LYS A 50 11.981 -5.942 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 50 12.377 -8.867 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.650 -7.848 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.937 -6.891 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.667 -8.764 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.141 -9.070 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.435 -10.191 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.531 -11.046 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.264 -11.094 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.271 -10.115 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.141 -12.444 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.624 -11.892 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.587 -12.841 -2.738 1.00 0.00 H new ATOM 811 N TYR A 51 14.307 -6.379 -2.544 1.00 0.00 N ATOM 812 CA TYR A 51 15.702 -6.014 -2.745 1.00 0.00 C ATOM 813 C TYR A 51 16.304 -5.545 -1.433 1.00 0.00 C ATOM 814 O TYR A 51 17.481 -5.776 -1.150 1.00 0.00 O ATOM 815 CB TYR A 51 15.830 -4.929 -3.820 1.00 0.00 C ATOM 816 CG TYR A 51 17.251 -4.455 -4.039 1.00 0.00 C ATOM 817 CD1 TYR A 51 18.192 -5.271 -4.653 1.00 0.00 C ATOM 818 CD2 TYR A 51 17.652 -3.191 -3.623 1.00 0.00 C ATOM 819 CE1 TYR A 51 19.493 -4.845 -4.841 1.00 0.00 C ATOM 820 CE2 TYR A 51 18.950 -2.758 -3.804 1.00 0.00 C ATOM 821 CZ TYR A 51 19.867 -3.586 -4.417 1.00 0.00 C ATOM 822 OH TYR A 51 21.166 -3.159 -4.592 1.00 0.00 O ATOM 0 H TYR A 51 13.642 -5.622 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 51 16.249 -6.891 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.435 -5.313 -4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.211 -4.077 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 51 17.902 -6.255 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.935 -2.536 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 51 20.213 -5.494 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 51 19.246 -1.776 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 51 21.262 -2.250 -4.240 1.00 0.00 H new ATOM 832 N VAL A 52 15.479 -4.905 -0.626 1.00 0.00 N ATOM 833 CA VAL A 52 15.896 -4.444 0.687 1.00 0.00 C ATOM 834 C VAL A 52 15.814 -5.592 1.687 1.00 0.00 C ATOM 835 O VAL A 52 14.751 -5.861 2.251 1.00 0.00 O ATOM 836 CB VAL A 52 15.022 -3.268 1.177 1.00 0.00 C ATOM 837 CG1 VAL A 52 15.521 -2.745 2.516 1.00 0.00 C ATOM 838 CG2 VAL A 52 14.992 -2.155 0.138 1.00 0.00 C ATOM 0 H VAL A 52 14.509 -4.691 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 52 16.925 -4.093 0.608 1.00 0.00 H new ATOM 0 HB VAL A 52 14.004 -3.633 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.891 -1.917 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.481 -3.544 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.549 -2.398 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.372 -1.335 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.005 -1.793 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.578 -2.539 -0.794 1.00 0.00 H new ATOM 848 N ALA A 53 16.928 -6.280 1.887 1.00 0.00 N ATOM 849 CA ALA A 53 16.954 -7.429 2.776 1.00 0.00 C ATOM 850 C ALA A 53 18.074 -7.303 3.801 1.00 0.00 C ATOM 851 O ALA A 53 17.813 -7.196 5.001 1.00 0.00 O ATOM 852 CB ALA A 53 17.098 -8.716 1.975 1.00 0.00 C ATOM 0 H ALA A 53 17.822 -6.063 1.447 1.00 0.00 H new ATOM 0 HA ALA A 53 16.009 -7.462 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.116 -9.568 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.255 -8.815 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.026 -8.688 1.405 1.00 0.00 H new ATOM 858 N ASN A 54 19.313 -7.296 3.322 1.00 0.00 N ATOM 859 CA ASN A 54 20.478 -7.257 4.201 1.00 0.00 C ATOM 860 C ASN A 54 21.719 -6.765 3.464 1.00 0.00 C ATOM 861 O ASN A 54 22.328 -5.765 3.851 1.00 0.00 O ATOM 862 CB ASN A 54 20.739 -8.647 4.799 1.00 0.00 C ATOM 863 CG ASN A 54 22.142 -8.802 5.362 1.00 0.00 C ATOM 864 OD1 ASN A 54 23.049 -9.291 4.680 1.00 0.00 O ATOM 865 ND2 ASN A 54 22.341 -8.370 6.593 1.00 0.00 N ATOM 0 H ASN A 54 19.538 -7.317 2.327 1.00 0.00 H new ATOM 0 HA ASN A 54 20.263 -6.553 5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 54 20.014 -8.837 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 54 20.577 -9.403 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 54 23.269 -8.434 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 54 21.567 -7.972 7.125 1.00 0.00 H new ATOM 872 N GLN A 55 22.089 -7.465 2.404 1.00 0.00 N ATOM 873 CA GLN A 55 23.325 -7.172 1.702 1.00 0.00 C ATOM 874 C GLN A 55 23.079 -6.202 0.560 1.00 0.00 C ATOM 875 O GLN A 55 22.232 -6.445 -0.303 1.00 0.00 O ATOM 876 CB GLN A 55 23.954 -8.464 1.175 1.00 0.00 C ATOM 877 CG GLN A 55 25.358 -8.276 0.625 1.00 0.00 C ATOM 878 CD GLN A 55 26.346 -7.823 1.687 1.00 0.00 C ATOM 879 OE1 GLN A 55 26.119 -8.231 2.930 1.00 0.00 O flip ATOM 880 NE2 GLN A 55 27.307 -7.114 1.393 1.00 0.00 N flip ATOM 0 H GLN A 55 21.551 -8.238 2.012 1.00 0.00 H new ATOM 0 HA GLN A 55 24.016 -6.705 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 55 23.983 -9.199 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 55 23.318 -8.875 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 55 25.702 -9.214 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 55 25.334 -7.542 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 55 27.448 -6.821 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 55 27.963 -6.819 2.116 1.00 0.00 H new ATOM 889 N PRO A 56 23.785 -5.068 0.571 1.00 0.00 N ATOM 890 CA PRO A 56 23.753 -4.101 -0.510 1.00 0.00 C ATOM 891 C PRO A 56 24.834 -4.385 -1.551 1.00 0.00 C ATOM 892 O PRO A 56 25.890 -4.934 -1.228 1.00 0.00 O ATOM 893 CB PRO A 56 24.025 -2.774 0.202 1.00 0.00 C ATOM 894 CG PRO A 56 24.589 -3.116 1.552 1.00 0.00 C ATOM 895 CD PRO A 56 24.666 -4.617 1.650 1.00 0.00 C ATOM 0 HA PRO A 56 22.811 -4.116 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 56 24.727 -2.166 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 56 23.108 -2.193 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 56 25.577 -2.674 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.957 -2.713 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 56 25.686 -4.978 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 56 24.328 -4.975 2.622 1.00 0.00 H new ATOM 903 N GLY A 57 24.573 -4.011 -2.796 1.00 0.00 N ATOM 904 CA GLY A 57 25.524 -4.262 -3.862 1.00 0.00 C ATOM 905 C GLY A 57 26.671 -3.272 -3.855 1.00 0.00 C ATOM 906 O GLY A 57 26.640 -2.272 -4.577 1.00 0.00 O ATOM 0 H GLY A 57 23.718 -3.537 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 57 25.919 -5.273 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 57 25.011 -4.213 -4.822 1.00 0.00 H new ATOM 910 N MET A 58 27.672 -3.539 -3.029 1.00 0.00 N ATOM 911 CA MET A 58 28.839 -2.674 -2.934 1.00 0.00 C ATOM 912 C MET A 58 29.623 -2.687 -4.243 1.00 0.00 C ATOM 913 O MET A 58 29.731 -3.733 -4.890 1.00 0.00 O ATOM 914 CB MET A 58 29.740 -3.098 -1.768 1.00 0.00 C ATOM 915 CG MET A 58 30.942 -2.186 -1.575 1.00 0.00 C ATOM 916 SD MET A 58 31.950 -2.630 -0.147 1.00 0.00 S ATOM 917 CE MET A 58 33.232 -1.381 -0.248 1.00 0.00 C ATOM 0 H MET A 58 27.699 -4.351 -2.413 1.00 0.00 H new ATOM 0 HA MET A 58 28.493 -1.658 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 58 29.152 -3.112 -0.850 1.00 0.00 H new ATOM 0 HB3 MET A 58 30.089 -4.116 -1.939 1.00 0.00 H new ATOM 0 HG2 MET A 58 31.561 -2.217 -2.472 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.596 -1.159 -1.462 1.00 0.00 H new ATOM 0 HE1 MET A 58 33.939 -1.519 0.570 1.00 0.00 H new ATOM 0 HE2 MET A 58 33.755 -1.473 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 58 32.782 -0.391 -0.176 1.00 0.00 H new ATOM 927 N GLN A 59 30.138 -1.510 -4.622 1.00 0.00 N ATOM 928 CA GLN A 59 30.919 -1.322 -5.847 1.00 0.00 C ATOM 929 C GLN A 59 29.991 -1.240 -7.058 1.00 0.00 C ATOM 930 O GLN A 59 29.457 -0.141 -7.313 1.00 0.00 O ATOM 931 CB GLN A 59 31.964 -2.437 -6.023 1.00 0.00 C ATOM 932 CG GLN A 59 32.875 -2.257 -7.224 1.00 0.00 C ATOM 933 CD GLN A 59 33.757 -3.466 -7.464 1.00 0.00 C ATOM 934 OE1 GLN A 59 33.377 -4.596 -7.161 1.00 0.00 O ATOM 935 NE2 GLN A 59 34.940 -3.242 -8.007 1.00 0.00 N ATOM 936 OXT GLN A 59 29.793 -2.258 -7.745 1.00 0.00 O ATOM 0 H GLN A 59 30.022 -0.654 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 59 31.462 -0.381 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 59 32.576 -2.490 -5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 59 31.447 -3.392 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 59 32.270 -2.070 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 59 33.501 -1.378 -7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 59 35.220 -2.290 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 59 35.573 -4.021 -8.189 1.00 0.00 H new TER 945 GLN A 59