USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 389 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 37 TYR OH : rot 162:sc= 0.0322 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.18) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= -0.0343 (180deg=-0.18) USER MOD Single : A 6 SER OG : rot 160:sc= 0.308 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.9 K(o=-1.9,f=0) USER MOD Single : A 19 SER OG : rot 75:sc= 0.0885 USER MOD Single : A 21 GLN : amide:sc= -0.829 K(o=-0.83,f=-5.2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0854 K(o=-0.085,f=-0.62) USER MOD Single : A 27 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= -0.939 K(o=-0.94,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 35 GLN : amide:sc= -0.0435 X(o=-0.043,f=-0.043) USER MOD Single : A 38 GLN : amide:sc= -0.71 K(o=-0.71,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 44 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.87) USER MOD Single : A 48 THR OG1 : rot -41:sc= 0.796 USER MOD Single : A 49 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.315 8.052 -14.365 1.00 0.00 N ATOM 2 CA ARG A 1 4.672 6.749 -14.341 1.00 0.00 C ATOM 3 C ARG A 1 5.392 5.848 -13.362 1.00 0.00 C ATOM 4 O ARG A 1 6.352 5.164 -13.715 1.00 0.00 O ATOM 5 CB ARG A 1 4.612 6.114 -15.751 1.00 0.00 C ATOM 6 CG ARG A 1 3.904 4.759 -15.810 1.00 0.00 C ATOM 7 CD ARG A 1 2.457 4.862 -15.353 1.00 0.00 C ATOM 8 NE ARG A 1 1.787 3.568 -15.345 1.00 0.00 N ATOM 9 CZ ARG A 1 0.528 3.346 -14.942 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.239 4.359 -14.524 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.051 2.108 -14.953 1.00 0.00 N ATOM 0 H1 ARG A 1 4.820 8.671 -15.038 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.279 8.474 -13.415 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.307 7.944 -14.659 1.00 0.00 H new ATOM 0 HA ARG A 1 3.641 6.877 -14.012 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.104 6.804 -16.425 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.629 5.994 -16.125 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.938 4.375 -16.829 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.434 4.043 -15.182 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.424 5.292 -14.352 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.918 5.544 -16.011 1.00 0.00 H new ATOM 0 HE ARG A 1 2.321 2.763 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.133 5.309 -14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.196 4.182 -14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.641 1.337 -15.266 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.906 1.927 -14.648 1.00 0.00 H new ATOM 27 N GLY A 2 4.968 5.903 -12.133 1.00 0.00 N ATOM 28 CA GLY A 2 5.545 5.094 -11.110 1.00 0.00 C ATOM 29 C GLY A 2 4.467 4.455 -10.294 1.00 0.00 C ATOM 30 O GLY A 2 3.367 5.021 -10.194 1.00 0.00 O ATOM 0 H GLY A 2 4.213 6.511 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.178 4.327 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.184 5.703 -10.470 1.00 0.00 H new ATOM 34 N PRO A 3 4.723 3.285 -9.703 1.00 0.00 N ATOM 35 CA PRO A 3 3.729 2.560 -8.917 1.00 0.00 C ATOM 36 C PRO A 3 3.314 3.340 -7.680 1.00 0.00 C ATOM 37 O PRO A 3 4.093 4.160 -7.137 1.00 0.00 O ATOM 38 CB PRO A 3 4.455 1.269 -8.514 1.00 0.00 C ATOM 39 CG PRO A 3 5.895 1.620 -8.594 1.00 0.00 C ATOM 40 CD PRO A 3 6.011 2.575 -9.740 1.00 0.00 C ATOM 0 HA PRO A 3 2.811 2.384 -9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.177 0.954 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.208 0.447 -9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.240 2.077 -7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.507 0.733 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.852 3.257 -9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.159 2.055 -10.686 1.00 0.00 H new ATOM 48 N ASP A 4 2.105 3.109 -7.242 1.00 0.00 N ATOM 49 CA ASP A 4 1.571 3.796 -6.081 1.00 0.00 C ATOM 50 C ASP A 4 2.261 3.276 -4.846 1.00 0.00 C ATOM 51 O ASP A 4 2.689 2.114 -4.813 1.00 0.00 O ATOM 52 CB ASP A 4 0.048 3.575 -5.928 1.00 0.00 C ATOM 53 CG ASP A 4 -0.769 3.994 -7.132 1.00 0.00 C ATOM 54 OD1 ASP A 4 -0.980 5.208 -7.351 1.00 0.00 O ATOM 55 OD2 ASP A 4 -1.237 3.111 -7.877 1.00 0.00 O ATOM 0 H ASP A 4 1.461 2.445 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 4 1.747 4.864 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.135 2.519 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.301 4.129 -5.057 1.00 0.00 H new ATOM 60 N LYS A 5 2.359 4.092 -3.832 1.00 0.00 N ATOM 61 CA LYS A 5 2.967 3.672 -2.582 1.00 0.00 C ATOM 62 C LYS A 5 2.096 2.638 -1.898 1.00 0.00 C ATOM 63 O LYS A 5 2.581 1.753 -1.194 1.00 0.00 O ATOM 64 CB LYS A 5 3.260 4.858 -1.684 1.00 0.00 C ATOM 65 CG LYS A 5 4.326 5.763 -2.257 1.00 0.00 C ATOM 66 CD LYS A 5 4.647 6.920 -1.337 1.00 0.00 C ATOM 67 CE LYS A 5 5.836 7.714 -1.855 1.00 0.00 C ATOM 68 NZ LYS A 5 5.626 8.199 -3.233 1.00 0.00 N ATOM 0 H LYS A 5 2.027 5.056 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 5 3.927 3.205 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.345 5.430 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.579 4.500 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.231 5.185 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.994 6.149 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.778 7.573 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.864 6.545 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.018 8.563 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.729 7.090 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.370 8.884 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.664 7.396 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.696 8.659 -3.301 1.00 0.00 H new ATOM 82 N SER A 6 0.813 2.719 -2.158 1.00 0.00 N ATOM 83 CA SER A 6 -0.110 1.724 -1.697 1.00 0.00 C ATOM 84 C SER A 6 0.131 0.398 -2.422 1.00 0.00 C ATOM 85 O SER A 6 -0.075 -0.652 -1.861 1.00 0.00 O ATOM 86 CB SER A 6 -1.537 2.207 -1.884 1.00 0.00 C ATOM 87 OG SER A 6 -1.748 3.390 -1.117 1.00 0.00 O ATOM 0 H SER A 6 0.386 3.475 -2.693 1.00 0.00 H new ATOM 0 HA SER A 6 0.051 1.555 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.728 2.407 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.237 1.431 -1.574 1.00 0.00 H new ATOM 0 HG SER A 6 -2.524 3.874 -1.469 1.00 0.00 H new ATOM 93 N TYR A 7 0.653 0.464 -3.651 1.00 0.00 N ATOM 94 CA TYR A 7 0.918 -0.741 -4.419 1.00 0.00 C ATOM 95 C TYR A 7 2.188 -1.389 -3.900 1.00 0.00 C ATOM 96 O TYR A 7 2.333 -2.609 -3.923 1.00 0.00 O ATOM 97 CB TYR A 7 1.047 -0.441 -5.922 1.00 0.00 C ATOM 98 CG TYR A 7 1.104 -1.683 -6.793 1.00 0.00 C ATOM 99 CD1 TYR A 7 -0.061 -2.352 -7.147 1.00 0.00 C ATOM 100 CD2 TYR A 7 2.308 -2.186 -7.256 1.00 0.00 C ATOM 101 CE1 TYR A 7 -0.025 -3.483 -7.933 1.00 0.00 C ATOM 102 CE2 TYR A 7 2.349 -3.320 -8.043 1.00 0.00 C ATOM 103 CZ TYR A 7 1.183 -3.963 -8.377 1.00 0.00 C ATOM 104 OH TYR A 7 1.225 -5.091 -9.162 1.00 0.00 O ATOM 0 H TYR A 7 0.896 1.334 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 7 0.076 -1.422 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.201 0.172 -6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.948 0.150 -6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.013 -1.978 -6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.229 -1.684 -6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.941 -3.989 -8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.297 -3.700 -8.395 1.00 0.00 H new ATOM 0 HH TYR A 7 2.156 -5.296 -9.391 1.00 0.00 H new ATOM 114 N LYS A 8 3.107 -0.562 -3.431 1.00 0.00 N ATOM 115 CA LYS A 8 4.336 -1.043 -2.836 1.00 0.00 C ATOM 116 C LYS A 8 4.001 -1.837 -1.588 1.00 0.00 C ATOM 117 O LYS A 8 4.493 -2.960 -1.397 1.00 0.00 O ATOM 118 CB LYS A 8 5.262 0.122 -2.493 1.00 0.00 C ATOM 119 CG LYS A 8 5.686 0.949 -3.692 1.00 0.00 C ATOM 120 CD LYS A 8 6.609 2.080 -3.282 1.00 0.00 C ATOM 121 CE LYS A 8 6.985 2.942 -4.473 1.00 0.00 C ATOM 122 NZ LYS A 8 7.883 4.056 -4.100 1.00 0.00 N ATOM 0 H LYS A 8 3.021 0.454 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 8 4.855 -1.683 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.761 0.772 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.153 -0.268 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.190 0.310 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.804 1.357 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.121 2.694 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.511 1.670 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.472 2.323 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.080 3.345 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.112 4.616 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.411 4.663 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.759 3.673 -3.691 1.00 0.00 H new ATOM 136 N ARG A 9 3.127 -1.270 -0.771 1.00 0.00 N ATOM 137 CA ARG A 9 2.661 -1.926 0.433 1.00 0.00 C ATOM 138 C ARG A 9 1.830 -3.140 0.095 1.00 0.00 C ATOM 139 O ARG A 9 1.939 -4.141 0.745 1.00 0.00 O ATOM 140 CB ARG A 9 1.851 -0.989 1.288 1.00 0.00 C ATOM 141 CG ARG A 9 2.621 0.188 1.825 1.00 0.00 C ATOM 142 CD ARG A 9 1.729 1.028 2.689 1.00 0.00 C ATOM 143 NE ARG A 9 0.614 1.609 1.934 1.00 0.00 N ATOM 144 CZ ARG A 9 -0.681 1.463 2.239 1.00 0.00 C ATOM 145 NH1 ARG A 9 -1.061 0.593 3.177 1.00 0.00 N ATOM 146 NH2 ARG A 9 -1.596 2.148 1.573 1.00 0.00 N ATOM 0 H ARG A 9 2.724 -0.346 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 9 3.543 -2.238 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.009 -0.620 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.436 -1.549 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.478 -0.159 2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.012 0.785 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.336 0.419 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.314 1.828 3.143 1.00 0.00 H new ATOM 0 HE ARG A 9 0.843 2.168 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.363 0.034 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.050 0.487 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.314 2.786 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.583 2.038 1.804 1.00 0.00 H new ATOM 160 N LEU A 10 0.988 -3.013 -0.917 1.00 0.00 N ATOM 161 CA LEU A 10 0.160 -4.115 -1.429 1.00 0.00 C ATOM 162 C LEU A 10 1.013 -5.351 -1.708 1.00 0.00 C ATOM 163 O LEU A 10 0.682 -6.463 -1.259 1.00 0.00 O ATOM 164 CB LEU A 10 -0.612 -3.626 -2.689 1.00 0.00 C ATOM 165 CG LEU A 10 -1.523 -4.609 -3.463 1.00 0.00 C ATOM 166 CD1 LEU A 10 -0.762 -5.403 -4.490 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.244 -5.547 -2.525 1.00 0.00 C ATOM 0 H LEU A 10 0.852 -2.135 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.571 -4.412 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.230 -2.782 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.126 -3.243 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.258 -3.997 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.444 -6.078 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.308 -4.724 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.018 -5.983 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.875 -6.224 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.515 -6.125 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.863 -4.970 -1.838 1.00 0.00 H new ATOM 179 N GLN A 11 2.091 -5.148 -2.438 1.00 0.00 N ATOM 180 CA GLN A 11 3.054 -6.203 -2.720 1.00 0.00 C ATOM 181 C GLN A 11 3.592 -6.788 -1.417 1.00 0.00 C ATOM 182 O GLN A 11 3.489 -7.980 -1.182 1.00 0.00 O ATOM 183 CB GLN A 11 4.201 -5.660 -3.563 1.00 0.00 C ATOM 184 CG GLN A 11 3.802 -5.255 -4.968 1.00 0.00 C ATOM 185 CD GLN A 11 4.920 -4.546 -5.695 1.00 0.00 C ATOM 186 OE1 GLN A 11 5.755 -5.172 -6.349 1.00 0.00 O ATOM 187 NE2 GLN A 11 4.939 -3.243 -5.602 1.00 0.00 N ATOM 0 H GLN A 11 2.328 -4.248 -2.855 1.00 0.00 H new ATOM 0 HA GLN A 11 2.552 -6.992 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.632 -4.796 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.983 -6.417 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.509 -6.141 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.929 -4.604 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.229 -2.761 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.663 -2.708 -6.081 1.00 0.00 H new ATOM 196 N GLU A 12 4.104 -5.928 -0.557 1.00 0.00 N ATOM 197 CA GLU A 12 4.651 -6.331 0.735 1.00 0.00 C ATOM 198 C GLU A 12 3.616 -7.070 1.603 1.00 0.00 C ATOM 199 O GLU A 12 3.937 -8.077 2.236 1.00 0.00 O ATOM 200 CB GLU A 12 5.184 -5.110 1.462 1.00 0.00 C ATOM 201 CG GLU A 12 6.426 -4.518 0.839 1.00 0.00 C ATOM 202 CD GLU A 12 7.594 -5.471 0.888 1.00 0.00 C ATOM 203 OE1 GLU A 12 8.165 -5.687 1.992 1.00 0.00 O ATOM 204 OE2 GLU A 12 7.998 -5.996 -0.169 1.00 0.00 O ATOM 0 H GLU A 12 4.155 -4.924 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 12 5.464 -7.033 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.405 -4.348 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.402 -5.381 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.219 -4.251 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.688 -3.597 1.359 1.00 0.00 H new ATOM 211 N CYS A 13 2.390 -6.577 1.593 1.00 0.00 N ATOM 212 CA CYS A 13 1.283 -7.143 2.354 1.00 0.00 C ATOM 213 C CYS A 13 1.045 -8.582 1.939 1.00 0.00 C ATOM 214 O CYS A 13 1.000 -9.482 2.786 1.00 0.00 O ATOM 215 CB CYS A 13 -0.002 -6.311 2.147 1.00 0.00 C ATOM 216 SG CYS A 13 -1.416 -6.769 3.230 1.00 0.00 S ATOM 0 H CYS A 13 2.128 -5.757 1.046 1.00 0.00 H new ATOM 0 HA CYS A 13 1.544 -7.118 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.235 -5.260 2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.315 -6.409 1.107 1.00 0.00 H new ATOM 221 N GLN A 14 0.954 -8.817 0.634 1.00 0.00 N ATOM 222 CA GLN A 14 0.715 -10.154 0.145 1.00 0.00 C ATOM 223 C GLN A 14 1.937 -11.048 0.327 1.00 0.00 C ATOM 224 O GLN A 14 1.790 -12.247 0.547 1.00 0.00 O ATOM 225 CB GLN A 14 0.176 -10.182 -1.292 1.00 0.00 C ATOM 226 CG GLN A 14 1.027 -9.468 -2.313 1.00 0.00 C ATOM 227 CD GLN A 14 0.485 -9.603 -3.709 1.00 0.00 C ATOM 228 OE1 GLN A 14 0.832 -10.528 -4.430 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.360 -8.699 -4.102 1.00 0.00 N ATOM 0 H GLN A 14 1.042 -8.103 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.081 -10.570 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.063 -11.221 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.819 -9.738 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.092 -8.412 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.041 -9.867 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.626 -7.942 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.758 -8.746 -5.040 1.00 0.00 H new ATOM 238 N ARG A 15 3.140 -10.460 0.272 1.00 0.00 N ATOM 239 CA ARG A 15 4.371 -11.208 0.542 1.00 0.00 C ATOM 240 C ARG A 15 4.346 -11.709 1.986 1.00 0.00 C ATOM 241 O ARG A 15 4.706 -12.859 2.264 1.00 0.00 O ATOM 242 CB ARG A 15 5.629 -10.353 0.304 1.00 0.00 C ATOM 243 CG ARG A 15 5.820 -9.853 -1.129 1.00 0.00 C ATOM 244 CD ARG A 15 5.942 -10.982 -2.145 1.00 0.00 C ATOM 245 NE ARG A 15 7.105 -11.840 -1.895 1.00 0.00 N ATOM 246 CZ ARG A 15 7.429 -12.930 -2.604 1.00 0.00 C ATOM 247 NH1 ARG A 15 6.701 -13.293 -3.662 1.00 0.00 N ATOM 248 NH2 ARG A 15 8.479 -13.652 -2.256 1.00 0.00 N ATOM 0 H ARG A 15 3.285 -9.476 0.045 1.00 0.00 H new ATOM 0 HA ARG A 15 4.416 -12.050 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.593 -9.491 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.504 -10.938 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.977 -9.217 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.715 -9.233 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.036 -11.588 -2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.016 -10.559 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 15 7.716 -11.587 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.890 -12.739 -3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.956 -14.124 -4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.041 -13.379 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.728 -14.482 -2.794 1.00 0.00 H new ATOM 262 N ARG A 16 3.881 -10.848 2.896 1.00 0.00 N ATOM 263 CA ARG A 16 3.705 -11.228 4.295 1.00 0.00 C ATOM 264 C ARG A 16 2.715 -12.337 4.421 1.00 0.00 C ATOM 265 O ARG A 16 2.959 -13.310 5.119 1.00 0.00 O ATOM 266 CB ARG A 16 3.270 -10.065 5.170 1.00 0.00 C ATOM 267 CG ARG A 16 4.364 -9.101 5.524 1.00 0.00 C ATOM 268 CD ARG A 16 3.849 -8.017 6.451 1.00 0.00 C ATOM 269 NE ARG A 16 3.185 -8.568 7.649 1.00 0.00 N ATOM 270 CZ ARG A 16 2.695 -7.850 8.659 1.00 0.00 C ATOM 271 NH1 ARG A 16 2.908 -6.533 8.720 1.00 0.00 N ATOM 272 NH2 ARG A 16 2.018 -8.461 9.623 1.00 0.00 N ATOM 0 H ARG A 16 3.621 -9.884 2.686 1.00 0.00 H new ATOM 0 HA ARG A 16 4.682 -11.561 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.476 -9.520 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.842 -10.461 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.185 -9.635 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.764 -8.649 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.680 -7.382 6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.147 -7.383 5.909 1.00 0.00 H new ATOM 0 HE ARG A 16 3.094 -9.582 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.449 -6.070 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.529 -5.991 9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.877 -9.471 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.639 -7.921 10.401 1.00 0.00 H new ATOM 286 N CYS A 17 1.615 -12.201 3.724 1.00 0.00 N ATOM 287 CA CYS A 17 0.574 -13.213 3.716 1.00 0.00 C ATOM 288 C CYS A 17 1.117 -14.579 3.315 1.00 0.00 C ATOM 289 O CYS A 17 0.721 -15.579 3.867 1.00 0.00 O ATOM 290 CB CYS A 17 -0.551 -12.821 2.778 1.00 0.00 C ATOM 291 SG CYS A 17 -1.435 -11.303 3.239 1.00 0.00 S ATOM 0 H CYS A 17 1.410 -11.387 3.144 1.00 0.00 H new ATOM 0 HA CYS A 17 0.189 -13.282 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.142 -12.696 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.267 -13.641 2.730 1.00 0.00 H new ATOM 296 N GLN A 18 2.041 -14.604 2.363 1.00 0.00 N ATOM 297 CA GLN A 18 2.637 -15.861 1.884 1.00 0.00 C ATOM 298 C GLN A 18 3.483 -16.523 2.961 1.00 0.00 C ATOM 299 O GLN A 18 3.688 -17.730 2.942 1.00 0.00 O ATOM 300 CB GLN A 18 3.508 -15.629 0.654 1.00 0.00 C ATOM 301 CG GLN A 18 2.797 -14.986 -0.521 1.00 0.00 C ATOM 302 CD GLN A 18 3.683 -14.876 -1.755 1.00 0.00 C ATOM 303 OE1 GLN A 18 3.203 -14.901 -2.889 1.00 0.00 O ATOM 304 NE2 GLN A 18 4.969 -14.766 -1.557 1.00 0.00 N ATOM 0 H GLN A 18 2.400 -13.769 1.901 1.00 0.00 H new ATOM 0 HA GLN A 18 1.807 -16.518 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.352 -15.000 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.918 -16.586 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.909 -15.569 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.456 -13.991 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.339 -14.748 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.604 -14.698 -2.353 1.00 0.00 H new ATOM 313 N SER A 19 3.976 -15.739 3.871 1.00 0.00 N ATOM 314 CA SER A 19 4.819 -16.246 4.913 1.00 0.00 C ATOM 315 C SER A 19 4.008 -16.535 6.180 1.00 0.00 C ATOM 316 O SER A 19 4.099 -17.615 6.765 1.00 0.00 O ATOM 317 CB SER A 19 5.905 -15.220 5.207 1.00 0.00 C ATOM 318 OG SER A 19 6.561 -14.824 4.004 1.00 0.00 O ATOM 0 H SER A 19 3.807 -14.734 3.913 1.00 0.00 H new ATOM 0 HA SER A 19 5.271 -17.183 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.467 -14.348 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.632 -15.641 5.902 1.00 0.00 H new ATOM 0 HG SER A 19 5.975 -14.228 3.493 1.00 0.00 H new ATOM 324 N GLU A 20 3.198 -15.582 6.576 1.00 0.00 N ATOM 325 CA GLU A 20 2.451 -15.669 7.812 1.00 0.00 C ATOM 326 C GLU A 20 1.222 -16.548 7.673 1.00 0.00 C ATOM 327 O GLU A 20 0.735 -17.100 8.657 1.00 0.00 O ATOM 328 CB GLU A 20 2.043 -14.273 8.282 1.00 0.00 C ATOM 329 CG GLU A 20 3.209 -13.307 8.423 1.00 0.00 C ATOM 330 CD GLU A 20 2.795 -11.975 8.984 1.00 0.00 C ATOM 331 OE1 GLU A 20 2.408 -11.080 8.217 1.00 0.00 O ATOM 332 OE2 GLU A 20 2.857 -11.796 10.219 1.00 0.00 O ATOM 0 H GLU A 20 3.037 -14.723 6.051 1.00 0.00 H new ATOM 0 HA GLU A 20 3.103 -16.128 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.323 -13.858 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.535 -14.357 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.966 -13.750 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.672 -13.158 7.447 1.00 0.00 H new ATOM 339 N GLN A 21 0.718 -16.676 6.474 1.00 0.00 N ATOM 340 CA GLN A 21 -0.473 -17.445 6.221 1.00 0.00 C ATOM 341 C GLN A 21 -0.184 -18.480 5.154 1.00 0.00 C ATOM 342 O GLN A 21 0.884 -18.459 4.535 1.00 0.00 O ATOM 343 CB GLN A 21 -1.597 -16.513 5.757 1.00 0.00 C ATOM 344 CG GLN A 21 -1.960 -15.429 6.756 1.00 0.00 C ATOM 345 CD GLN A 21 -2.673 -15.953 7.982 1.00 0.00 C ATOM 346 OE1 GLN A 21 -3.890 -16.010 8.016 1.00 0.00 O ATOM 347 NE2 GLN A 21 -1.948 -16.348 8.973 1.00 0.00 N ATOM 0 H GLN A 21 1.123 -16.248 5.641 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.785 -17.949 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.300 -16.043 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.485 -17.110 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.051 -14.913 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.594 -14.691 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.931 -16.289 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.391 -16.720 9.813 1.00 0.00 H new ATOM 356 N GLN A 22 -1.108 -19.377 4.954 1.00 0.00 N ATOM 357 CA GLN A 22 -1.019 -20.396 3.934 1.00 0.00 C ATOM 358 C GLN A 22 -2.406 -20.829 3.576 1.00 0.00 C ATOM 359 O GLN A 22 -3.346 -20.489 4.290 1.00 0.00 O ATOM 360 CB GLN A 22 -0.196 -21.600 4.398 1.00 0.00 C ATOM 361 CG GLN A 22 -0.635 -22.189 5.724 1.00 0.00 C ATOM 362 CD GLN A 22 0.156 -23.412 6.089 1.00 0.00 C ATOM 363 OE1 GLN A 22 1.212 -23.325 6.730 1.00 0.00 O ATOM 364 NE2 GLN A 22 -0.344 -24.560 5.724 1.00 0.00 N ATOM 0 H GLN A 22 -1.965 -19.425 5.505 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.511 -19.978 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.249 -22.376 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.849 -21.301 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.524 -21.439 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.694 -22.444 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.217 -24.592 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.137 -25.426 5.966 1.00 0.00 H new ATOM 373 N GLY A 23 -2.530 -21.510 2.462 1.00 0.00 N ATOM 374 CA GLY A 23 -3.805 -22.046 2.009 1.00 0.00 C ATOM 375 C GLY A 23 -4.897 -21.000 1.876 1.00 0.00 C ATOM 376 O GLY A 23 -4.694 -19.943 1.248 1.00 0.00 O ATOM 0 H GLY A 23 -1.750 -21.712 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.662 -22.533 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.134 -22.815 2.708 1.00 0.00 H new ATOM 380 N GLN A 24 -6.027 -21.266 2.513 1.00 0.00 N ATOM 381 CA GLN A 24 -7.184 -20.387 2.477 1.00 0.00 C ATOM 382 C GLN A 24 -6.853 -19.086 3.180 1.00 0.00 C ATOM 383 O GLN A 24 -7.177 -18.010 2.689 1.00 0.00 O ATOM 384 CB GLN A 24 -8.392 -21.065 3.138 1.00 0.00 C ATOM 385 CG GLN A 24 -9.682 -20.247 3.096 1.00 0.00 C ATOM 386 CD GLN A 24 -10.126 -19.935 1.685 1.00 0.00 C ATOM 387 OE1 GLN A 24 -9.770 -18.904 1.113 1.00 0.00 O ATOM 388 NE2 GLN A 24 -10.894 -20.814 1.114 1.00 0.00 N ATOM 0 H GLN A 24 -6.167 -22.106 3.074 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.441 -20.175 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.568 -22.022 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.147 -21.280 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.472 -20.795 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.535 -19.315 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.168 -21.657 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.223 -20.661 0.160 1.00 0.00 H new ATOM 397 N ARG A 25 -6.154 -19.199 4.306 1.00 0.00 N ATOM 398 CA ARG A 25 -5.705 -18.049 5.083 1.00 0.00 C ATOM 399 C ARG A 25 -4.887 -17.103 4.214 1.00 0.00 C ATOM 400 O ARG A 25 -5.036 -15.885 4.284 1.00 0.00 O ATOM 401 CB ARG A 25 -4.875 -18.526 6.278 1.00 0.00 C ATOM 402 CG ARG A 25 -5.678 -19.199 7.385 1.00 0.00 C ATOM 403 CD ARG A 25 -6.313 -18.178 8.338 1.00 0.00 C ATOM 404 NE ARG A 25 -7.242 -17.248 7.676 1.00 0.00 N ATOM 405 CZ ARG A 25 -7.366 -15.942 7.970 1.00 0.00 C ATOM 406 NH1 ARG A 25 -6.624 -15.383 8.921 1.00 0.00 N ATOM 407 NH2 ARG A 25 -8.234 -15.210 7.307 1.00 0.00 N ATOM 0 H ARG A 25 -5.882 -20.097 4.707 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.578 -17.507 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.118 -19.224 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.346 -17.671 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.460 -19.816 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.027 -19.866 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.846 -18.712 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.522 -17.605 8.821 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.837 -17.623 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.949 -15.946 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.729 -14.391 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.806 -15.634 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.335 -14.218 7.523 1.00 0.00 H new ATOM 421 N LEU A 26 -4.055 -17.677 3.362 1.00 0.00 N ATOM 422 CA LEU A 26 -3.253 -16.904 2.434 1.00 0.00 C ATOM 423 C LEU A 26 -4.119 -16.236 1.395 1.00 0.00 C ATOM 424 O LEU A 26 -3.963 -15.035 1.146 1.00 0.00 O ATOM 425 CB LEU A 26 -2.169 -17.772 1.783 1.00 0.00 C ATOM 426 CG LEU A 26 -1.436 -17.203 0.555 1.00 0.00 C ATOM 427 CD1 LEU A 26 -0.832 -15.853 0.856 1.00 0.00 C ATOM 428 CD2 LEU A 26 -0.360 -18.166 0.095 1.00 0.00 C ATOM 0 H LEU A 26 -3.918 -18.686 3.295 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.750 -16.119 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.422 -18.001 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.627 -18.717 1.492 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.166 -17.076 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.321 -15.477 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.621 -15.157 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.117 -15.948 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.151 -17.752 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.359 -18.320 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.815 -19.120 -0.172 1.00 0.00 H new ATOM 440 N GLN A 27 -5.039 -16.996 0.818 1.00 0.00 N ATOM 441 CA GLN A 27 -5.932 -16.475 -0.206 1.00 0.00 C ATOM 442 C GLN A 27 -6.723 -15.287 0.331 1.00 0.00 C ATOM 443 O GLN A 27 -6.767 -14.231 -0.300 1.00 0.00 O ATOM 444 CB GLN A 27 -6.885 -17.557 -0.727 1.00 0.00 C ATOM 445 CG GLN A 27 -6.212 -18.754 -1.393 1.00 0.00 C ATOM 446 CD GLN A 27 -5.285 -18.361 -2.529 1.00 0.00 C ATOM 447 OE1 GLN A 27 -5.706 -18.221 -3.670 1.00 0.00 O ATOM 448 NE2 GLN A 27 -4.011 -18.252 -2.242 1.00 0.00 N ATOM 0 H GLN A 27 -5.186 -17.980 1.043 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.317 -16.142 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.489 -17.918 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.569 -17.101 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.645 -19.307 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.979 -19.428 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.692 -18.374 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.338 -18.045 -2.980 1.00 0.00 H new ATOM 457 N GLU A 28 -7.294 -15.453 1.521 1.00 0.00 N ATOM 458 CA GLU A 28 -8.057 -14.396 2.169 1.00 0.00 C ATOM 459 C GLU A 28 -7.165 -13.193 2.451 1.00 0.00 C ATOM 460 O GLU A 28 -7.505 -12.065 2.099 1.00 0.00 O ATOM 461 CB GLU A 28 -8.670 -14.883 3.486 1.00 0.00 C ATOM 462 CG GLU A 28 -9.579 -16.090 3.358 1.00 0.00 C ATOM 463 CD GLU A 28 -10.187 -16.484 4.673 1.00 0.00 C ATOM 464 OE1 GLU A 28 -11.437 -16.434 4.820 1.00 0.00 O ATOM 465 OE2 GLU A 28 -9.441 -16.808 5.599 1.00 0.00 O ATOM 0 H GLU A 28 -7.240 -16.318 2.058 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.860 -14.108 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.863 -15.125 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.237 -14.065 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.373 -15.871 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.011 -16.929 2.956 1.00 0.00 H new ATOM 472 N CYS A 29 -6.007 -13.457 3.047 1.00 0.00 N ATOM 473 CA CYS A 29 -5.064 -12.418 3.443 1.00 0.00 C ATOM 474 C CYS A 29 -4.649 -11.567 2.252 1.00 0.00 C ATOM 475 O CYS A 29 -4.859 -10.340 2.256 1.00 0.00 O ATOM 476 CB CYS A 29 -3.821 -13.039 4.108 1.00 0.00 C ATOM 477 SG CYS A 29 -2.620 -11.841 4.802 1.00 0.00 S ATOM 0 H CYS A 29 -5.695 -14.402 3.270 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.566 -11.773 4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.151 -13.702 4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.307 -13.658 3.372 1.00 0.00 H new ATOM 482 N GLN A 30 -4.122 -12.216 1.205 1.00 0.00 N ATOM 483 CA GLN A 30 -3.612 -11.488 0.049 1.00 0.00 C ATOM 484 C GLN A 30 -4.720 -10.740 -0.684 1.00 0.00 C ATOM 485 O GLN A 30 -4.512 -9.613 -1.146 1.00 0.00 O ATOM 486 CB GLN A 30 -2.840 -12.397 -0.916 1.00 0.00 C ATOM 487 CG GLN A 30 -3.675 -13.483 -1.584 1.00 0.00 C ATOM 488 CD GLN A 30 -2.887 -14.309 -2.572 1.00 0.00 C ATOM 489 OE1 GLN A 30 -3.427 -14.793 -3.565 1.00 0.00 O ATOM 490 NE2 GLN A 30 -1.623 -14.499 -2.308 1.00 0.00 N ATOM 0 H GLN A 30 -4.041 -13.231 1.140 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.909 -10.751 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.388 -11.778 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.024 -12.871 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.088 -14.139 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.519 -13.021 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.208 -14.082 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.050 -15.064 -2.935 1.00 0.00 H new ATOM 499 N GLN A 31 -5.899 -11.340 -0.748 1.00 0.00 N ATOM 500 CA GLN A 31 -7.018 -10.727 -1.421 1.00 0.00 C ATOM 501 C GLN A 31 -7.489 -9.508 -0.635 1.00 0.00 C ATOM 502 O GLN A 31 -7.804 -8.472 -1.215 1.00 0.00 O ATOM 503 CB GLN A 31 -8.146 -11.732 -1.620 1.00 0.00 C ATOM 504 CG GLN A 31 -9.292 -11.218 -2.463 1.00 0.00 C ATOM 505 CD GLN A 31 -10.359 -12.257 -2.663 1.00 0.00 C ATOM 506 OE1 GLN A 31 -11.289 -12.360 -1.875 1.00 0.00 O ATOM 507 NE2 GLN A 31 -10.242 -13.034 -3.705 1.00 0.00 N ATOM 0 H GLN A 31 -6.099 -12.253 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.701 -10.396 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.740 -12.629 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.531 -12.027 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.727 -10.340 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.912 -10.898 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.453 -12.919 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.940 -13.756 -3.884 1.00 0.00 H new ATOM 516 N ARG A 32 -7.480 -9.612 0.690 1.00 0.00 N ATOM 517 CA ARG A 32 -7.839 -8.486 1.536 1.00 0.00 C ATOM 518 C ARG A 32 -6.796 -7.372 1.445 1.00 0.00 C ATOM 519 O ARG A 32 -7.131 -6.201 1.603 1.00 0.00 O ATOM 520 CB ARG A 32 -8.133 -8.895 2.990 1.00 0.00 C ATOM 521 CG ARG A 32 -9.419 -9.706 3.150 1.00 0.00 C ATOM 522 CD ARG A 32 -9.690 -10.109 4.601 1.00 0.00 C ATOM 523 NE ARG A 32 -9.878 -8.954 5.507 1.00 0.00 N ATOM 524 CZ ARG A 32 -10.412 -9.019 6.744 1.00 0.00 C ATOM 525 NH1 ARG A 32 -10.829 -10.176 7.229 1.00 0.00 N ATOM 526 NH2 ARG A 32 -10.511 -7.923 7.496 1.00 0.00 N ATOM 0 H ARG A 32 -7.229 -10.461 1.196 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.778 -8.089 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.295 -9.479 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.201 -7.997 3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.260 -9.122 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.356 -10.603 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.580 -10.737 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.859 -10.714 4.963 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.581 -8.038 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.747 -11.024 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.232 -10.221 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.182 -7.027 7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.916 -7.980 8.430 1.00 0.00 H new ATOM 540 N CYS A 33 -5.545 -7.730 1.146 1.00 0.00 N ATOM 541 CA CYS A 33 -4.505 -6.720 0.899 1.00 0.00 C ATOM 542 C CYS A 33 -4.842 -5.956 -0.374 1.00 0.00 C ATOM 543 O CYS A 33 -4.623 -4.745 -0.469 1.00 0.00 O ATOM 544 CB CYS A 33 -3.103 -7.342 0.750 1.00 0.00 C ATOM 545 SG CYS A 33 -2.460 -8.198 2.219 1.00 0.00 S ATOM 0 H CYS A 33 -5.227 -8.696 1.069 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.484 -6.055 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.126 -8.049 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.403 -6.553 0.477 1.00 0.00 H new ATOM 550 N GLN A 34 -5.397 -6.672 -1.352 1.00 0.00 N ATOM 551 CA GLN A 34 -5.803 -6.073 -2.616 1.00 0.00 C ATOM 552 C GLN A 34 -7.005 -5.181 -2.392 1.00 0.00 C ATOM 553 O GLN A 34 -7.125 -4.120 -3.006 1.00 0.00 O ATOM 554 CB GLN A 34 -6.119 -7.149 -3.647 1.00 0.00 C ATOM 555 CG GLN A 34 -4.928 -8.010 -4.034 1.00 0.00 C ATOM 556 CD GLN A 34 -5.310 -9.143 -4.959 1.00 0.00 C ATOM 557 OE1 GLN A 34 -6.423 -9.658 -4.899 1.00 0.00 O ATOM 558 NE2 GLN A 34 -4.412 -9.529 -5.821 1.00 0.00 N ATOM 0 H GLN A 34 -5.575 -7.674 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.980 -5.472 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.906 -7.793 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.515 -6.672 -4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.176 -7.388 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.471 -8.419 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.498 -9.078 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.624 -10.283 -6.475 1.00 0.00 H new ATOM 567 N GLN A 35 -7.889 -5.617 -1.491 1.00 0.00 N ATOM 568 CA GLN A 35 -9.042 -4.816 -1.095 1.00 0.00 C ATOM 569 C GLN A 35 -8.539 -3.512 -0.479 1.00 0.00 C ATOM 570 O GLN A 35 -9.041 -2.435 -0.800 1.00 0.00 O ATOM 571 CB GLN A 35 -9.929 -5.563 -0.083 1.00 0.00 C ATOM 572 CG GLN A 35 -10.481 -6.911 -0.556 1.00 0.00 C ATOM 573 CD GLN A 35 -11.322 -6.817 -1.806 1.00 0.00 C ATOM 574 OE1 GLN A 35 -12.534 -6.614 -1.745 1.00 0.00 O ATOM 575 NE2 GLN A 35 -10.714 -7.026 -2.940 1.00 0.00 N ATOM 0 H GLN A 35 -7.825 -6.521 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.649 -4.614 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.352 -5.726 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.768 -4.920 0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.649 -7.591 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.080 -7.349 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.708 -7.191 -2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.245 -7.024 -3.811 1.00 0.00 H new ATOM 584 N GLU A 36 -7.502 -3.631 0.382 1.00 0.00 N ATOM 585 CA GLU A 36 -6.840 -2.472 0.978 1.00 0.00 C ATOM 586 C GLU A 36 -6.371 -1.542 -0.103 1.00 0.00 C ATOM 587 O GLU A 36 -6.770 -0.402 -0.137 1.00 0.00 O ATOM 588 CB GLU A 36 -5.625 -2.876 1.827 1.00 0.00 C ATOM 589 CG GLU A 36 -5.946 -3.556 3.129 1.00 0.00 C ATOM 590 CD GLU A 36 -6.738 -2.667 4.034 1.00 0.00 C ATOM 591 OE1 GLU A 36 -6.182 -1.661 4.546 1.00 0.00 O ATOM 592 OE2 GLU A 36 -7.926 -2.943 4.260 1.00 0.00 O ATOM 0 H GLU A 36 -7.112 -4.527 0.674 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.570 -1.983 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.994 -3.540 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.037 -1.983 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.507 -4.470 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.021 -3.849 3.625 1.00 0.00 H new ATOM 599 N TYR A 37 -5.568 -2.073 -1.013 1.00 0.00 N ATOM 600 CA TYR A 37 -4.992 -1.313 -2.109 1.00 0.00 C ATOM 601 C TYR A 37 -6.044 -0.532 -2.910 1.00 0.00 C ATOM 602 O TYR A 37 -5.859 0.664 -3.195 1.00 0.00 O ATOM 603 CB TYR A 37 -4.148 -2.237 -3.008 1.00 0.00 C ATOM 604 CG TYR A 37 -3.705 -1.612 -4.297 1.00 0.00 C ATOM 605 CD1 TYR A 37 -4.207 -2.066 -5.500 1.00 0.00 C ATOM 606 CD2 TYR A 37 -2.809 -0.557 -4.314 1.00 0.00 C ATOM 607 CE1 TYR A 37 -3.835 -1.496 -6.684 1.00 0.00 C ATOM 608 CE2 TYR A 37 -2.423 0.027 -5.497 1.00 0.00 C ATOM 609 CZ TYR A 37 -2.943 -0.449 -6.690 1.00 0.00 C ATOM 610 OH TYR A 37 -2.573 0.130 -7.898 1.00 0.00 O ATOM 0 H TYR A 37 -5.296 -3.056 -1.010 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.335 -0.557 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.267 -2.558 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.727 -3.133 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.908 -2.888 -5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.407 -0.187 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.240 -1.867 -7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.722 0.848 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.181 1.013 -7.731 1.00 0.00 H new ATOM 620 N GLN A 38 -7.148 -1.176 -3.231 1.00 0.00 N ATOM 621 CA GLN A 38 -8.208 -0.517 -3.977 1.00 0.00 C ATOM 622 C GLN A 38 -8.882 0.570 -3.145 1.00 0.00 C ATOM 623 O GLN A 38 -9.254 1.612 -3.663 1.00 0.00 O ATOM 624 CB GLN A 38 -9.240 -1.513 -4.500 1.00 0.00 C ATOM 625 CG GLN A 38 -8.686 -2.499 -5.520 1.00 0.00 C ATOM 626 CD GLN A 38 -9.749 -3.419 -6.101 1.00 0.00 C ATOM 627 OE1 GLN A 38 -9.653 -3.853 -7.253 1.00 0.00 O ATOM 628 NE2 GLN A 38 -10.747 -3.749 -5.326 1.00 0.00 N ATOM 0 H GLN A 38 -7.337 -2.149 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.739 -0.043 -4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.652 -2.070 -3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.065 -0.962 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.211 -1.946 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.910 -3.102 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.802 -3.376 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.472 -4.380 -5.668 1.00 0.00 H new ATOM 637 N ARG A 39 -9.003 0.341 -1.852 1.00 0.00 N ATOM 638 CA ARG A 39 -9.629 1.308 -0.960 1.00 0.00 C ATOM 639 C ARG A 39 -8.670 2.445 -0.579 1.00 0.00 C ATOM 640 O ARG A 39 -9.107 3.542 -0.222 1.00 0.00 O ATOM 641 CB ARG A 39 -10.206 0.626 0.287 1.00 0.00 C ATOM 642 CG ARG A 39 -11.367 -0.327 0.009 1.00 0.00 C ATOM 643 CD ARG A 39 -12.533 0.391 -0.658 1.00 0.00 C ATOM 644 NE ARG A 39 -13.722 -0.461 -0.783 1.00 0.00 N ATOM 645 CZ ARG A 39 -14.936 -0.034 -1.192 1.00 0.00 C ATOM 646 NH1 ARG A 39 -15.101 1.222 -1.591 1.00 0.00 N ATOM 647 NH2 ARG A 39 -15.972 -0.866 -1.201 1.00 0.00 N ATOM 0 H ARG A 39 -8.676 -0.508 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.457 1.757 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.409 0.072 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.542 1.395 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.026 -1.141 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.702 -0.776 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.786 1.280 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.228 0.731 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.624 -1.448 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.310 1.866 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.019 1.543 -1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.852 -1.833 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.887 -0.538 -1.511 1.00 0.00 H new ATOM 661 N GLU A 40 -7.373 2.194 -0.693 1.00 0.00 N ATOM 662 CA GLU A 40 -6.364 3.211 -0.410 1.00 0.00 C ATOM 663 C GLU A 40 -6.323 4.214 -1.542 1.00 0.00 C ATOM 664 O GLU A 40 -6.036 5.390 -1.337 1.00 0.00 O ATOM 665 CB GLU A 40 -4.977 2.579 -0.253 1.00 0.00 C ATOM 666 CG GLU A 40 -4.828 1.656 0.941 1.00 0.00 C ATOM 667 CD GLU A 40 -4.949 2.371 2.251 1.00 0.00 C ATOM 668 OE1 GLU A 40 -6.062 2.482 2.787 1.00 0.00 O ATOM 669 OE2 GLU A 40 -3.912 2.828 2.791 1.00 0.00 O ATOM 0 H GLU A 40 -6.992 1.293 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.632 3.707 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.744 2.019 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.238 3.376 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.587 0.876 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.858 1.161 0.892 1.00 0.00 H new ATOM 676 N LYS A 41 -6.603 3.744 -2.736 1.00 0.00 N ATOM 677 CA LYS A 41 -6.682 4.622 -3.878 1.00 0.00 C ATOM 678 C LYS A 41 -8.082 5.185 -3.985 1.00 0.00 C ATOM 679 O LYS A 41 -8.277 6.344 -4.371 1.00 0.00 O ATOM 680 CB LYS A 41 -6.279 3.891 -5.156 1.00 0.00 C ATOM 681 CG LYS A 41 -4.845 3.388 -5.122 1.00 0.00 C ATOM 682 CD LYS A 41 -4.416 2.738 -6.427 1.00 0.00 C ATOM 683 CE LYS A 41 -4.460 3.709 -7.592 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.780 3.167 -8.786 1.00 0.00 N ATOM 0 H LYS A 41 -6.779 2.760 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.982 5.447 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.951 3.047 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.404 4.561 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.178 4.221 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.737 2.668 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.404 2.346 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.066 1.889 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.498 3.936 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.989 4.648 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.120 3.663 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.753 3.304 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.987 2.151 -8.872 1.00 0.00 H new ATOM 698 N GLY A 42 -9.044 4.371 -3.633 1.00 0.00 N ATOM 699 CA GLY A 42 -10.410 4.785 -3.626 1.00 0.00 C ATOM 700 C GLY A 42 -11.162 4.239 -4.808 1.00 0.00 C ATOM 701 O GLY A 42 -10.587 4.051 -5.889 1.00 0.00 O ATOM 0 H GLY A 42 -8.895 3.404 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.887 4.450 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.460 5.874 -3.634 1.00 0.00 H new ATOM 705 N GLN A 43 -12.411 3.929 -4.604 1.00 0.00 N ATOM 706 CA GLN A 43 -13.269 3.502 -5.679 1.00 0.00 C ATOM 707 C GLN A 43 -14.187 4.645 -6.029 1.00 0.00 C ATOM 708 O GLN A 43 -15.172 4.912 -5.334 1.00 0.00 O ATOM 709 CB GLN A 43 -14.068 2.250 -5.322 1.00 0.00 C ATOM 710 CG GLN A 43 -13.220 1.004 -5.116 1.00 0.00 C ATOM 711 CD GLN A 43 -14.058 -0.238 -4.889 1.00 0.00 C ATOM 712 OE1 GLN A 43 -15.181 -0.353 -5.389 1.00 0.00 O ATOM 713 NE2 GLN A 43 -13.534 -1.171 -4.150 1.00 0.00 N ATOM 0 H GLN A 43 -12.865 3.964 -3.691 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.654 3.232 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.636 2.443 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.791 2.056 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.583 0.854 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.561 1.155 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.603 -1.044 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.054 -2.030 -3.968 1.00 0.00 H new ATOM 722 N HIS A 44 -13.818 5.368 -7.037 1.00 0.00 N ATOM 723 CA HIS A 44 -14.558 6.549 -7.444 1.00 0.00 C ATOM 724 C HIS A 44 -15.020 6.449 -8.891 1.00 0.00 C ATOM 725 O HIS A 44 -15.913 7.180 -9.317 1.00 0.00 O ATOM 726 CB HIS A 44 -13.701 7.825 -7.237 1.00 0.00 C ATOM 727 CG HIS A 44 -12.398 7.847 -8.006 1.00 0.00 C ATOM 728 ND1 HIS A 44 -12.186 8.590 -9.143 1.00 0.00 N ATOM 729 CD2 HIS A 44 -11.238 7.197 -7.768 1.00 0.00 C ATOM 730 CE1 HIS A 44 -10.938 8.373 -9.559 1.00 0.00 C ATOM 731 NE2 HIS A 44 -10.313 7.529 -8.755 1.00 0.00 N ATOM 0 H HIS A 44 -12.998 5.168 -7.610 1.00 0.00 H new ATOM 0 HA HIS A 44 -15.446 6.615 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.292 8.694 -7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.481 7.929 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.056 6.525 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.497 8.826 -10.435 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.354 7.192 -8.840 1.00 0.00 H new ATOM 739 N GLN A 45 -14.422 5.556 -9.640 1.00 0.00 N ATOM 740 CA GLN A 45 -14.750 5.423 -11.032 1.00 0.00 C ATOM 741 C GLN A 45 -15.806 4.353 -11.224 1.00 0.00 C ATOM 742 O GLN A 45 -15.668 3.226 -10.706 1.00 0.00 O ATOM 743 CB GLN A 45 -13.508 5.064 -11.844 1.00 0.00 C ATOM 744 CG GLN A 45 -13.723 5.158 -13.345 1.00 0.00 C ATOM 745 CD GLN A 45 -14.009 6.584 -13.781 1.00 0.00 C ATOM 746 OE1 GLN A 45 -13.519 7.533 -13.175 1.00 0.00 O ATOM 747 NE2 GLN A 45 -14.812 6.747 -14.788 1.00 0.00 N ATOM 0 H GLN A 45 -13.705 4.911 -9.306 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.139 6.379 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.692 5.728 -11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.198 4.050 -11.591 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.838 4.789 -13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.554 4.515 -13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.200 5.935 -15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.055 7.687 -15.100 1.00 0.00 H new ATOM 756 N GLY A 46 -16.839 4.685 -11.975 1.00 0.00 N ATOM 757 CA GLY A 46 -17.895 3.752 -12.278 1.00 0.00 C ATOM 758 C GLY A 46 -17.487 2.778 -13.358 1.00 0.00 C ATOM 759 O GLY A 46 -17.981 2.828 -14.481 1.00 0.00 O ATOM 0 H GLY A 46 -16.965 5.609 -12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.165 3.203 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.783 4.298 -12.597 1.00 0.00 H new ATOM 763 N GLU A 47 -16.543 1.933 -13.036 1.00 0.00 N ATOM 764 CA GLU A 47 -16.050 0.926 -13.957 1.00 0.00 C ATOM 765 C GLU A 47 -16.498 -0.458 -13.510 1.00 0.00 C ATOM 766 O GLU A 47 -16.085 -1.485 -14.060 1.00 0.00 O ATOM 767 CB GLU A 47 -14.536 0.999 -14.046 1.00 0.00 C ATOM 768 CG GLU A 47 -13.842 0.906 -12.707 1.00 0.00 C ATOM 769 CD GLU A 47 -12.363 0.898 -12.849 1.00 0.00 C ATOM 770 OE1 GLU A 47 -11.772 1.954 -13.029 1.00 0.00 O ATOM 771 OE2 GLU A 47 -11.761 -0.191 -12.780 1.00 0.00 O ATOM 0 H GLU A 47 -16.088 1.919 -12.123 1.00 0.00 H new ATOM 0 HA GLU A 47 -16.463 1.117 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.180 0.192 -14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.254 1.936 -14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.142 1.748 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.162 -0.001 -12.194 1.00 0.00 H new ATOM 778 N THR A 48 -17.333 -0.462 -12.512 1.00 0.00 N ATOM 779 CA THR A 48 -17.893 -1.664 -11.958 1.00 0.00 C ATOM 780 C THR A 48 -19.277 -1.330 -11.418 1.00 0.00 C ATOM 781 O THR A 48 -19.839 -2.047 -10.601 1.00 0.00 O ATOM 782 CB THR A 48 -16.968 -2.256 -10.838 1.00 0.00 C ATOM 783 OG1 THR A 48 -17.542 -3.445 -10.254 1.00 0.00 O ATOM 784 CG2 THR A 48 -16.685 -1.227 -9.753 1.00 0.00 C ATOM 0 H THR A 48 -17.652 0.389 -12.049 1.00 0.00 H new ATOM 0 HA THR A 48 -17.973 -2.430 -12.729 1.00 0.00 H new ATOM 0 HB THR A 48 -16.025 -2.527 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.505 -3.315 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.042 -1.668 -8.992 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.187 -0.363 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.623 -0.912 -9.297 1.00 0.00 H new ATOM 792 N ASN A 49 -19.824 -0.262 -11.933 1.00 0.00 N ATOM 793 CA ASN A 49 -21.104 0.238 -11.518 1.00 0.00 C ATOM 794 C ASN A 49 -21.663 1.088 -12.618 1.00 0.00 C ATOM 795 O ASN A 49 -22.630 0.656 -13.270 1.00 0.00 O ATOM 796 CB ASN A 49 -21.067 0.983 -10.147 1.00 0.00 C ATOM 797 CG ASN A 49 -20.092 2.149 -10.062 1.00 0.00 C ATOM 798 OD1 ASN A 49 -20.421 3.284 -10.375 1.00 0.00 O ATOM 799 ND2 ASN A 49 -18.907 1.890 -9.585 1.00 0.00 N ATOM 800 OXT ASN A 49 -21.077 2.128 -12.931 1.00 0.00 O ATOM 0 H ASN A 49 -19.383 0.294 -12.666 1.00 0.00 H new ATOM 0 HA ASN A 49 -21.765 -0.611 -11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -22.069 1.352 -9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -20.814 0.263 -9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.230 2.643 -9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.657 0.934 -9.331 1.00 0.00 H new TER 807 ASN A 49