USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 662 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 27 SER OG : rot 160:sc= 0.897 USER MOD Set 1.2: A 35 SER OG : rot 131:sc= 1.05 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.742 K(o=1,f=-0.72) USER MOD Set 2.2: A 17 GLN : amide:sc= 0.294 K(o=1,f=0.32) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 7 THR OG1 : rot 125:sc= 0.763 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.127) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc=-0.00116 (180deg=-0.216) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 26 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -91:sc= 0.0814 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -74:sc= 0.643 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A3288 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A3291 THR OG1 : rot -44:sc= 0.0573 USER MOD Single : A3295 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.043) USER MOD Single : A3299 SER OG : rot 180:sc= 0.00546 USER MOD Single : A3301 GLN :FLIP amide:sc= -0.121 F(o=-1.9!,f=-0.12) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.94) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A3320 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3321 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.392 15.246 -0.863 1.00 0.00 N ATOM 2 CA MET A 1 -23.635 14.461 0.351 1.00 0.00 C ATOM 3 C MET A 1 -24.084 13.066 -0.032 1.00 0.00 C ATOM 4 O MET A 1 -23.281 12.160 0.135 1.00 0.00 O ATOM 5 CB MET A 1 -24.589 15.151 1.336 1.00 0.00 C ATOM 6 CG MET A 1 -23.818 16.072 2.276 1.00 0.00 C ATOM 7 SD MET A 1 -24.875 17.143 3.278 1.00 0.00 S ATOM 8 CE MET A 1 -23.680 17.628 4.549 1.00 0.00 C ATOM 0 H1 MET A 1 -23.084 16.204 -0.601 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.651 14.787 -1.431 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.268 15.305 -1.420 1.00 0.00 H new ATOM 0 HA MET A 1 -22.696 14.381 0.899 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.335 15.725 0.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.128 14.401 1.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.200 15.465 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.142 16.692 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.160 18.297 5.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.321 16.740 5.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.839 18.140 4.081 1.00 0.00 H new ATOM 18 N ASN A 2 -25.311 12.879 -0.543 1.00 0.00 N ATOM 19 CA ASN A 2 -25.815 11.554 -0.920 1.00 0.00 C ATOM 20 C ASN A 2 -25.007 10.991 -2.089 1.00 0.00 C ATOM 21 O ASN A 2 -25.314 11.291 -3.248 1.00 0.00 O ATOM 22 CB ASN A 2 -27.316 11.590 -1.269 1.00 0.00 C ATOM 23 CG ASN A 2 -28.213 11.644 -0.039 1.00 0.00 C ATOM 24 OD1 ASN A 2 -28.761 10.640 0.400 1.00 0.00 O ATOM 25 ND2 ASN A 2 -28.407 12.817 0.541 1.00 0.00 N ATOM 0 H ASN A 2 -25.975 13.636 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 2 -25.696 10.898 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -27.517 12.459 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -27.568 10.707 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -29.015 12.888 1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -27.949 13.650 0.172 1.00 0.00 H new ATOM 32 N ILE A 3 -23.966 10.213 -1.809 1.00 0.00 N ATOM 33 CA ILE A 3 -23.102 9.592 -2.798 1.00 0.00 C ATOM 34 C ILE A 3 -22.497 8.339 -2.172 1.00 0.00 C ATOM 35 O ILE A 3 -22.228 8.293 -0.964 1.00 0.00 O ATOM 36 CB ILE A 3 -22.054 10.621 -3.293 1.00 0.00 C ATOM 37 CG1 ILE A 3 -21.517 10.231 -4.682 1.00 0.00 C ATOM 38 CG2 ILE A 3 -20.905 10.840 -2.294 1.00 0.00 C ATOM 39 CD1 ILE A 3 -20.966 11.438 -5.453 1.00 0.00 C ATOM 0 H ILE A 3 -23.694 9.992 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 3 -23.652 9.281 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 3 -22.572 11.577 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -20.730 9.485 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -22.316 9.767 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -20.205 11.571 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -21.308 11.208 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -20.386 9.897 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -20.599 11.112 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -21.758 12.174 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -20.148 11.887 -4.889 1.00 0.00 H new ATOM 51 N ASN A 4 -22.229 7.342 -3.014 1.00 0.00 N ATOM 52 CA ASN A 4 -21.665 6.068 -2.596 1.00 0.00 C ATOM 53 C ASN A 4 -20.310 5.835 -3.243 1.00 0.00 C ATOM 54 O ASN A 4 -19.329 5.708 -2.525 1.00 0.00 O ATOM 55 CB ASN A 4 -22.661 4.909 -2.810 1.00 0.00 C ATOM 56 CG ASN A 4 -23.288 4.839 -4.194 1.00 0.00 C ATOM 57 OD1 ASN A 4 -22.609 4.273 -5.172 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 -24.403 5.299 -4.414 1.00 0.00 N flip ATOM 0 H ASN A 4 -22.401 7.401 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.487 6.104 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.146 3.968 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -23.458 4.996 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.932 5.738 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -24.802 5.243 -5.351 1.00 0.00 H new ATOM 65 N GLU A 5 -20.203 5.921 -4.569 1.00 0.00 N ATOM 66 CA GLU A 5 -18.956 5.679 -5.309 1.00 0.00 C ATOM 67 C GLU A 5 -17.817 6.594 -4.874 1.00 0.00 C ATOM 68 O GLU A 5 -16.673 6.160 -4.749 1.00 0.00 O ATOM 69 CB GLU A 5 -19.225 5.875 -6.802 1.00 0.00 C ATOM 70 CG GLU A 5 -19.959 4.662 -7.381 1.00 0.00 C ATOM 71 CD GLU A 5 -20.974 5.095 -8.429 1.00 0.00 C ATOM 72 OE1 GLU A 5 -22.049 5.611 -8.037 1.00 0.00 O ATOM 73 OE2 GLU A 5 -20.652 5.008 -9.633 1.00 0.00 O ATOM 0 H GLU A 5 -20.989 6.164 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.639 4.658 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.821 6.775 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.283 6.023 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.240 3.975 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.464 4.121 -6.581 1.00 0.00 H new ATOM 80 N GLN A 6 -18.143 7.855 -4.610 1.00 0.00 N ATOM 81 CA GLN A 6 -17.155 8.838 -4.195 1.00 0.00 C ATOM 82 C GLN A 6 -16.736 8.612 -2.742 1.00 0.00 C ATOM 83 O GLN A 6 -15.615 8.960 -2.365 1.00 0.00 O ATOM 84 CB GLN A 6 -17.736 10.234 -4.416 1.00 0.00 C ATOM 85 CG GLN A 6 -16.671 11.258 -4.832 1.00 0.00 C ATOM 86 CD GLN A 6 -17.307 12.547 -5.334 1.00 0.00 C ATOM 87 OE1 GLN A 6 -17.213 12.895 -6.514 1.00 0.00 O ATOM 88 NE2 GLN A 6 -17.982 13.286 -4.470 1.00 0.00 N ATOM 0 H GLN A 6 -19.093 8.220 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.250 8.735 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -18.507 10.185 -5.185 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.220 10.571 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.023 11.477 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.041 10.833 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.056 12.992 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.429 14.150 -4.778 1.00 0.00 H new ATOM 97 N THR A 7 -17.632 8.046 -1.929 1.00 0.00 N ATOM 98 CA THR A 7 -17.372 7.754 -0.531 1.00 0.00 C ATOM 99 C THR A 7 -16.416 6.570 -0.389 1.00 0.00 C ATOM 100 O THR A 7 -15.556 6.613 0.486 1.00 0.00 O ATOM 101 CB THR A 7 -18.678 7.443 0.201 1.00 0.00 C ATOM 102 OG1 THR A 7 -19.569 8.539 0.041 1.00 0.00 O ATOM 103 CG2 THR A 7 -18.385 7.162 1.679 1.00 0.00 C ATOM 0 H THR A 7 -18.567 7.777 -2.234 1.00 0.00 H new ATOM 0 HA THR A 7 -16.909 8.635 -0.087 1.00 0.00 H new ATOM 0 HB THR A 7 -19.148 6.554 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 7 -20.416 8.220 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.317 6.941 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 7 -17.712 6.308 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.917 8.037 2.130 1.00 0.00 H new ATOM 111 N LEU A 8 -16.466 5.576 -1.284 1.00 0.00 N ATOM 112 CA LEU A 8 -15.619 4.381 -1.269 1.00 0.00 C ATOM 113 C LEU A 8 -14.170 4.834 -1.195 1.00 0.00 C ATOM 114 O LEU A 8 -13.362 4.110 -0.645 1.00 0.00 O ATOM 115 CB LEU A 8 -15.778 3.526 -2.537 1.00 0.00 C ATOM 116 CG LEU A 8 -17.204 3.329 -3.058 1.00 0.00 C ATOM 117 CD1 LEU A 8 -17.242 2.473 -4.319 1.00 0.00 C ATOM 118 CD2 LEU A 8 -18.126 2.730 -2.012 1.00 0.00 C ATOM 0 H LEU A 8 -17.121 5.584 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.915 3.774 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.185 3.981 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.348 2.544 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.565 4.328 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.274 2.361 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.658 2.955 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.821 1.491 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.125 2.611 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.744 1.757 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.173 3.391 -1.147 1.00 0.00 H new ATOM 130 N ASP A 9 -13.827 6.012 -1.723 1.00 0.00 N ATOM 131 CA ASP A 9 -12.480 6.575 -1.709 1.00 0.00 C ATOM 132 C ASP A 9 -11.918 6.565 -0.289 1.00 0.00 C ATOM 133 O ASP A 9 -10.776 6.142 -0.111 1.00 0.00 O ATOM 134 CB ASP A 9 -12.528 8.015 -2.217 1.00 0.00 C ATOM 135 CG ASP A 9 -11.152 8.688 -2.234 1.00 0.00 C ATOM 136 OD1 ASP A 9 -10.853 9.484 -1.313 1.00 0.00 O ATOM 137 OD2 ASP A 9 -10.388 8.493 -3.197 1.00 0.00 O ATOM 0 H ASP A 9 -14.504 6.618 -2.187 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.839 5.973 -2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.944 8.026 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.203 8.595 -1.587 1.00 0.00 H new ATOM 142 N LYS A 10 -12.701 6.960 0.729 1.00 0.00 N ATOM 143 CA LYS A 10 -12.202 6.953 2.109 1.00 0.00 C ATOM 144 C LYS A 10 -12.012 5.518 2.604 1.00 0.00 C ATOM 145 O LYS A 10 -11.250 5.291 3.547 1.00 0.00 O ATOM 146 CB LYS A 10 -13.068 7.795 3.072 1.00 0.00 C ATOM 147 CG LYS A 10 -14.320 7.079 3.584 1.00 0.00 C ATOM 148 CD LYS A 10 -15.189 7.879 4.543 1.00 0.00 C ATOM 149 CE LYS A 10 -14.509 8.073 5.905 1.00 0.00 C ATOM 150 NZ LYS A 10 -13.924 9.423 6.070 1.00 0.00 N ATOM 0 H LYS A 10 -13.663 7.282 0.624 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.227 7.440 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.458 8.091 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.370 8.711 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.928 6.790 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.013 6.159 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.411 8.853 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.142 7.368 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.237 7.899 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.724 7.326 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.479 9.496 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.208 9.583 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.674 10.139 5.986 1.00 0.00 H new ATOM 164 N LEU A 11 -12.796 4.569 2.093 1.00 0.00 N ATOM 165 CA LEU A 11 -12.736 3.165 2.449 1.00 0.00 C ATOM 166 C LEU A 11 -11.536 2.485 1.792 1.00 0.00 C ATOM 167 O LEU A 11 -10.702 1.906 2.474 1.00 0.00 O ATOM 168 CB LEU A 11 -14.045 2.436 2.070 1.00 0.00 C ATOM 169 CG LEU A 11 -15.311 2.719 2.897 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.079 2.657 4.400 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.040 4.008 2.516 1.00 0.00 C ATOM 0 H LEU A 11 -13.513 4.771 1.396 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.615 3.104 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.268 2.676 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.852 1.364 2.116 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.974 1.896 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.013 2.866 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.726 1.662 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.331 3.398 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.920 4.129 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.373 4.858 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.348 3.957 1.472 1.00 0.00 H new ATOM 183 N ARG A 12 -11.391 2.559 0.471 1.00 0.00 N ATOM 184 CA ARG A 12 -10.303 1.921 -0.269 1.00 0.00 C ATOM 185 C ARG A 12 -8.947 2.406 0.206 1.00 0.00 C ATOM 186 O ARG A 12 -8.063 1.590 0.465 1.00 0.00 O ATOM 187 CB ARG A 12 -10.542 1.994 -1.790 1.00 0.00 C ATOM 188 CG ARG A 12 -11.113 3.291 -2.361 1.00 0.00 C ATOM 189 CD ARG A 12 -10.358 3.768 -3.588 1.00 0.00 C ATOM 190 NE ARG A 12 -11.224 4.553 -4.479 1.00 0.00 N ATOM 191 CZ ARG A 12 -10.879 5.666 -5.127 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.654 6.164 -5.017 1.00 0.00 N ATOM 193 NH2 ARG A 12 -11.784 6.275 -5.874 1.00 0.00 N ATOM 0 H ARG A 12 -12.038 3.073 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.297 0.854 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.592 1.799 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.217 1.183 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.161 3.140 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.082 4.066 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.506 4.374 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.960 2.909 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.177 4.215 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.963 5.695 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.403 7.016 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.727 5.892 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.540 7.128 -6.378 1.00 0.00 H new ATOM 207 N GLN A 13 -8.791 3.709 0.417 1.00 0.00 N ATOM 208 CA GLN A 13 -7.542 4.277 0.904 1.00 0.00 C ATOM 209 C GLN A 13 -7.189 3.708 2.293 1.00 0.00 C ATOM 210 O GLN A 13 -6.012 3.630 2.647 1.00 0.00 O ATOM 211 CB GLN A 13 -7.581 5.804 0.823 1.00 0.00 C ATOM 212 CG GLN A 13 -8.533 6.414 1.844 1.00 0.00 C ATOM 213 CD GLN A 13 -7.937 6.605 3.233 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.763 6.919 3.424 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.748 6.353 4.236 1.00 0.00 N ATOM 0 H GLN A 13 -9.526 4.398 0.255 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.718 3.976 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.578 6.200 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.886 6.105 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.872 7.381 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.414 5.777 1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.718 6.094 4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.408 6.416 5.195 1.00 0.00 H new ATOM 224 N ALA A 14 -8.191 3.358 3.111 1.00 0.00 N ATOM 225 CA ALA A 14 -7.994 2.788 4.438 1.00 0.00 C ATOM 226 C ALA A 14 -7.518 1.340 4.299 1.00 0.00 C ATOM 227 O ALA A 14 -6.624 0.913 5.027 1.00 0.00 O ATOM 228 CB ALA A 14 -9.301 2.847 5.229 1.00 0.00 C ATOM 0 H ALA A 14 -9.173 3.467 2.860 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.239 3.362 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.146 2.419 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.620 3.885 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.070 2.279 4.705 1.00 0.00 H new ATOM 234 N VAL A 15 -8.093 0.573 3.367 1.00 0.00 N ATOM 235 CA VAL A 15 -7.688 -0.812 3.150 1.00 0.00 C ATOM 236 C VAL A 15 -6.247 -0.796 2.638 1.00 0.00 C ATOM 237 O VAL A 15 -5.361 -1.393 3.249 1.00 0.00 O ATOM 238 CB VAL A 15 -8.611 -1.523 2.153 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.222 -3.000 2.007 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.081 -1.436 2.531 1.00 0.00 C ATOM 0 H VAL A 15 -8.841 0.892 2.752 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.758 -1.367 4.086 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.479 -1.002 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.891 -3.484 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.195 -3.072 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.303 -3.495 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.680 -1.959 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.234 -1.897 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.385 -0.390 2.572 1.00 0.00 H new ATOM 250 N LEU A 16 -5.971 -0.054 1.555 1.00 0.00 N ATOM 251 CA LEU A 16 -4.626 0.012 0.990 1.00 0.00 C ATOM 252 C LEU A 16 -3.583 0.430 2.017 1.00 0.00 C ATOM 253 O LEU A 16 -2.453 -0.025 1.911 1.00 0.00 O ATOM 254 CB LEU A 16 -4.530 0.805 -0.317 1.00 0.00 C ATOM 255 CG LEU A 16 -4.573 2.331 -0.169 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.201 2.950 0.111 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.158 2.945 -1.446 1.00 0.00 C ATOM 0 H LEU A 16 -6.664 0.506 1.058 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.388 -1.013 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.602 0.532 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.348 0.498 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.201 2.551 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.302 4.031 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.800 2.541 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.523 2.719 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.191 4.030 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.533 2.678 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.167 2.564 -1.603 1.00 0.00 H new ATOM 269 N GLN A 17 -3.920 1.266 3.009 1.00 0.00 N ATOM 270 CA GLN A 17 -2.957 1.671 4.030 1.00 0.00 C ATOM 271 C GLN A 17 -2.331 0.431 4.668 1.00 0.00 C ATOM 272 O GLN A 17 -1.113 0.409 4.856 1.00 0.00 O ATOM 273 CB GLN A 17 -3.611 2.548 5.097 1.00 0.00 C ATOM 274 CG GLN A 17 -3.504 4.036 4.781 1.00 0.00 C ATOM 275 CD GLN A 17 -4.187 4.866 5.862 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.941 4.664 7.052 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.056 5.794 5.504 1.00 0.00 N ATOM 0 H GLN A 17 -4.849 1.671 3.122 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.177 2.263 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.662 2.275 5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.142 2.351 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.455 4.322 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.962 4.241 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.253 5.954 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.530 6.351 6.215 1.00 0.00 H new ATOM 286 N LYS A 18 -3.125 -0.592 5.028 1.00 0.00 N ATOM 287 CA LYS A 18 -2.543 -1.800 5.605 1.00 0.00 C ATOM 288 C LYS A 18 -1.781 -2.551 4.512 1.00 0.00 C ATOM 289 O LYS A 18 -0.690 -3.041 4.777 1.00 0.00 O ATOM 290 CB LYS A 18 -3.569 -2.645 6.375 1.00 0.00 C ATOM 291 CG LYS A 18 -4.569 -3.456 5.535 1.00 0.00 C ATOM 292 CD LYS A 18 -6.046 -3.159 5.832 1.00 0.00 C ATOM 293 CE LYS A 18 -6.529 -3.904 7.079 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.179 -3.226 8.344 1.00 0.00 N ATOM 0 H LYS A 18 -4.140 -0.603 4.931 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.822 -1.529 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.025 -3.337 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.134 -1.981 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.378 -3.261 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.385 -4.517 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.181 -2.087 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.655 -3.448 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.611 -4.021 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.100 -4.906 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.635 -3.717 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.147 -3.243 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.508 -2.240 8.312 1.00 0.00 H new ATOM 308 N LYS A 19 -2.264 -2.555 3.263 1.00 0.00 N ATOM 309 CA LYS A 19 -1.597 -3.228 2.148 1.00 0.00 C ATOM 310 C LYS A 19 -0.178 -2.713 1.976 1.00 0.00 C ATOM 311 O LYS A 19 0.703 -3.521 1.707 1.00 0.00 O ATOM 312 CB LYS A 19 -2.378 -3.102 0.836 1.00 0.00 C ATOM 313 CG LYS A 19 -3.644 -3.965 0.908 1.00 0.00 C ATOM 314 CD LYS A 19 -4.508 -3.896 -0.352 1.00 0.00 C ATOM 315 CE LYS A 19 -5.312 -5.169 -0.658 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.776 -5.922 0.524 1.00 0.00 N ATOM 0 H LYS A 19 -3.132 -2.089 2.999 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.559 -4.288 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.645 -2.060 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.756 -3.419 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.357 -5.002 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.240 -3.649 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.202 -3.061 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.865 -3.677 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.180 -4.895 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.697 -5.829 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.519 -6.591 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.978 -6.446 0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.158 -5.260 1.229 1.00 0.00 H new ATOM 330 N ILE A 20 0.102 -1.421 2.203 1.00 0.00 N ATOM 331 CA ILE A 20 1.463 -0.902 2.060 1.00 0.00 C ATOM 332 C ILE A 20 2.397 -1.644 3.034 1.00 0.00 C ATOM 333 O ILE A 20 3.554 -1.900 2.709 1.00 0.00 O ATOM 334 CB ILE A 20 1.536 0.635 2.236 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.439 1.415 1.480 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.908 1.167 1.784 1.00 0.00 C ATOM 337 CD1 ILE A 20 0.243 1.015 0.014 1.00 0.00 C ATOM 0 H ILE A 20 -0.590 -0.726 2.483 1.00 0.00 H new ATOM 0 HA ILE A 20 1.797 -1.091 1.040 1.00 0.00 H new ATOM 0 HB ILE A 20 1.377 0.803 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.507 1.281 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.678 2.478 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.940 2.249 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.693 0.705 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.064 0.924 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.549 1.621 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.171 1.177 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.032 -0.038 -0.042 1.00 0.00 H new ATOM 349 N LYS A 21 1.902 -1.973 4.232 1.00 0.00 N ATOM 350 CA LYS A 21 2.598 -2.698 5.297 1.00 0.00 C ATOM 351 C LYS A 21 2.699 -4.176 4.925 1.00 0.00 C ATOM 352 O LYS A 21 3.659 -4.839 5.300 1.00 0.00 O ATOM 353 CB LYS A 21 1.829 -2.629 6.627 1.00 0.00 C ATOM 354 CG LYS A 21 1.218 -1.244 6.879 1.00 0.00 C ATOM 355 CD LYS A 21 0.496 -1.130 8.216 1.00 0.00 C ATOM 356 CE LYS A 21 -0.324 0.163 8.157 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.916 0.523 9.455 1.00 0.00 N ATOM 0 H LYS A 21 0.949 -1.725 4.498 1.00 0.00 H new ATOM 0 HA LYS A 21 3.579 -2.237 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.037 -3.378 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.502 -2.880 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.008 -0.494 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.517 -1.014 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.150 -1.992 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.208 -1.101 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.315 0.978 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.118 0.051 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.459 1.405 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.548 -0.240 9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.160 0.659 10.156 1.00 0.00 H new ATOM 371 N GLU A 22 1.714 -4.707 4.203 1.00 0.00 N ATOM 372 CA GLU A 22 1.696 -6.101 3.805 1.00 0.00 C ATOM 373 C GLU A 22 2.759 -6.319 2.740 1.00 0.00 C ATOM 374 O GLU A 22 3.613 -7.186 2.909 1.00 0.00 O ATOM 375 CB GLU A 22 0.313 -6.517 3.284 1.00 0.00 C ATOM 376 CG GLU A 22 -0.757 -6.512 4.385 1.00 0.00 C ATOM 377 CD GLU A 22 -2.172 -6.864 3.890 1.00 0.00 C ATOM 378 OE1 GLU A 22 -3.154 -6.610 4.628 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.334 -7.357 2.751 1.00 0.00 O ATOM 0 H GLU A 22 0.906 -4.175 3.880 1.00 0.00 H new ATOM 0 HA GLU A 22 1.911 -6.723 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.011 -5.840 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.377 -7.514 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.468 -7.222 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.781 -5.526 4.849 1.00 0.00 H new ATOM 386 N ARG A 23 2.794 -5.490 1.698 1.00 0.00 N ATOM 387 CA ARG A 23 3.774 -5.631 0.623 1.00 0.00 C ATOM 388 C ARG A 23 5.207 -5.437 1.115 1.00 0.00 C ATOM 389 O ARG A 23 6.111 -6.083 0.603 1.00 0.00 O ATOM 390 CB ARG A 23 3.368 -4.781 -0.595 1.00 0.00 C ATOM 391 CG ARG A 23 3.242 -3.265 -0.372 1.00 0.00 C ATOM 392 CD ARG A 23 4.544 -2.473 -0.500 1.00 0.00 C ATOM 393 NE ARG A 23 5.182 -2.700 -1.802 1.00 0.00 N ATOM 394 CZ ARG A 23 6.456 -3.016 -2.045 1.00 0.00 C ATOM 395 NH1 ARG A 23 7.342 -3.188 -1.068 1.00 0.00 N ATOM 396 NH2 ARG A 23 6.866 -3.111 -3.291 1.00 0.00 N ATOM 0 H ARG A 23 2.150 -4.709 1.576 1.00 0.00 H new ATOM 0 HA ARG A 23 3.769 -6.662 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.100 -4.948 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.411 -5.151 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.523 -2.868 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.829 -3.094 0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.339 -1.410 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.228 -2.763 0.298 1.00 0.00 H new ATOM 0 HE ARG A 23 4.580 -2.605 -2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.056 -3.079 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.308 -3.429 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.213 -2.944 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.837 -3.352 -3.492 1.00 0.00 H new ATOM 410 N ILE A 24 5.456 -4.572 2.102 1.00 0.00 N ATOM 411 CA ILE A 24 6.807 -4.370 2.638 1.00 0.00 C ATOM 412 C ILE A 24 7.179 -5.521 3.585 1.00 0.00 C ATOM 413 O ILE A 24 8.287 -6.059 3.505 1.00 0.00 O ATOM 414 CB ILE A 24 6.938 -2.987 3.331 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.361 -2.709 3.869 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.927 -2.814 4.471 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.440 -1.457 4.747 1.00 0.00 C ATOM 0 H ILE A 24 4.739 -3.999 2.547 1.00 0.00 H new ATOM 0 HA ILE A 24 7.514 -4.375 1.808 1.00 0.00 H new ATOM 0 HB ILE A 24 6.724 -2.260 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.700 -3.570 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.045 -2.599 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.056 -1.832 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.915 -2.901 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.090 -3.586 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.465 -1.319 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.131 -0.587 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.780 -1.573 5.607 1.00 0.00 H new ATOM 429 N GLN A 25 6.275 -5.912 4.493 1.00 0.00 N ATOM 430 CA GLN A 25 6.569 -6.959 5.459 1.00 0.00 C ATOM 431 C GLN A 25 6.669 -8.324 4.800 1.00 0.00 C ATOM 432 O GLN A 25 7.645 -9.026 5.030 1.00 0.00 O ATOM 433 CB GLN A 25 5.463 -6.967 6.526 1.00 0.00 C ATOM 434 CG GLN A 25 5.776 -7.823 7.751 1.00 0.00 C ATOM 435 CD GLN A 25 4.517 -7.972 8.602 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.799 -7.008 8.879 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.165 -9.179 8.992 1.00 0.00 N ATOM 0 H GLN A 25 5.339 -5.515 4.572 1.00 0.00 H new ATOM 0 HA GLN A 25 7.537 -6.751 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.280 -5.943 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.540 -7.327 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.136 -8.804 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.571 -7.362 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.754 -9.980 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.303 -9.313 9.520 1.00 0.00 H new ATOM 446 N ASN A 26 5.694 -8.686 3.968 1.00 0.00 N ATOM 447 CA ASN A 26 5.689 -9.977 3.298 1.00 0.00 C ATOM 448 C ASN A 26 6.639 -9.969 2.098 1.00 0.00 C ATOM 449 O ASN A 26 7.556 -10.786 2.027 1.00 0.00 O ATOM 450 CB ASN A 26 4.240 -10.355 2.923 1.00 0.00 C ATOM 451 CG ASN A 26 3.338 -10.421 4.156 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.212 -11.452 4.811 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.720 -9.312 4.532 1.00 0.00 N ATOM 0 H ASN A 26 4.893 -8.095 3.743 1.00 0.00 H new ATOM 0 HA ASN A 26 6.063 -10.748 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.843 -9.623 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.235 -11.320 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.137 -9.312 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.827 -8.458 3.985 1.00 0.00 H new ATOM 460 N SER A 27 6.488 -8.983 1.204 1.00 0.00 N ATOM 461 CA SER A 27 7.276 -8.805 -0.023 1.00 0.00 C ATOM 462 C SER A 27 7.389 -10.090 -0.861 1.00 0.00 C ATOM 463 O SER A 27 8.379 -10.321 -1.556 1.00 0.00 O ATOM 464 CB SER A 27 8.623 -8.173 0.330 1.00 0.00 C ATOM 465 OG SER A 27 9.157 -7.444 -0.760 1.00 0.00 O ATOM 0 H SER A 27 5.782 -8.256 1.321 1.00 0.00 H new ATOM 0 HA SER A 27 6.747 -8.117 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.502 -7.511 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.325 -8.952 0.626 1.00 0.00 H new ATOM 0 HG SER A 27 9.824 -6.805 -0.431 1.00 0.00 H new ATOM 471 N LEU A 28 6.367 -10.936 -0.767 1.00 0.00 N ATOM 472 CA LEU A 28 6.208 -12.214 -1.431 1.00 0.00 C ATOM 473 C LEU A 28 4.764 -12.330 -1.911 1.00 0.00 C ATOM 474 O LEU A 28 3.955 -11.429 -1.678 1.00 0.00 O ATOM 475 CB LEU A 28 6.603 -13.355 -0.469 1.00 0.00 C ATOM 476 CG LEU A 28 5.843 -13.368 0.879 1.00 0.00 C ATOM 477 CD1 LEU A 28 4.423 -13.920 0.775 1.00 0.00 C ATOM 478 CD2 LEU A 28 6.620 -14.134 1.949 1.00 0.00 C ATOM 0 H LEU A 28 5.566 -10.722 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 28 6.864 -12.290 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.436 -14.308 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.672 -13.285 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 28 5.758 -12.322 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.951 -13.899 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.845 -13.309 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.458 -14.947 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.059 -14.124 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.767 -15.164 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.590 -13.661 2.103 1.00 0.00 H new ATOM 490 N SER A 29 4.435 -13.473 -2.504 1.00 0.00 N ATOM 491 CA SER A 29 3.112 -13.790 -3.019 1.00 0.00 C ATOM 492 C SER A 29 2.617 -15.114 -2.448 1.00 0.00 C ATOM 493 O SER A 29 1.541 -15.184 -1.870 1.00 0.00 O ATOM 494 CB SER A 29 3.205 -13.870 -4.538 1.00 0.00 C ATOM 495 OG SER A 29 3.410 -12.572 -5.062 1.00 0.00 O ATOM 0 H SER A 29 5.106 -14.228 -2.643 1.00 0.00 H new ATOM 0 HA SER A 29 2.402 -13.017 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.025 -14.526 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.291 -14.300 -4.948 1.00 0.00 H new ATOM 0 HG SER A 29 3.472 -12.620 -6.039 1.00 0.00 H new ATOM 501 N THR A 30 3.407 -16.174 -2.592 1.00 0.00 N ATOM 502 CA THR A 30 3.074 -17.514 -2.114 1.00 0.00 C ATOM 503 C THR A 30 4.328 -18.098 -1.452 1.00 0.00 C ATOM 504 O THR A 30 4.644 -19.272 -1.570 1.00 0.00 O ATOM 505 CB THR A 30 2.440 -18.251 -3.309 1.00 0.00 C ATOM 506 OG1 THR A 30 1.656 -19.379 -2.995 1.00 0.00 O ATOM 507 CG2 THR A 30 3.416 -18.640 -4.414 1.00 0.00 C ATOM 0 H THR A 30 4.315 -16.125 -3.054 1.00 0.00 H new ATOM 0 HA THR A 30 2.327 -17.582 -1.323 1.00 0.00 H new ATOM 0 HB THR A 30 1.772 -17.473 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.301 -19.770 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.878 -19.153 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.889 -17.743 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.180 -19.302 -4.008 1.00 0.00 H new ATOM 515 N GLU A 31 5.120 -17.210 -0.841 1.00 0.00 N ATOM 516 CA GLU A 31 6.375 -17.461 -0.134 1.00 0.00 C ATOM 517 C GLU A 31 7.520 -17.984 -1.002 1.00 0.00 C ATOM 518 O GLU A 31 8.601 -18.217 -0.464 1.00 0.00 O ATOM 519 CB GLU A 31 6.166 -18.376 1.084 1.00 0.00 C ATOM 520 CG GLU A 31 4.996 -18.024 2.007 1.00 0.00 C ATOM 521 CD GLU A 31 5.104 -18.901 3.258 1.00 0.00 C ATOM 522 OE1 GLU A 31 5.636 -18.436 4.297 1.00 0.00 O ATOM 523 OE2 GLU A 31 4.742 -20.096 3.175 1.00 0.00 O ATOM 0 H GLU A 31 4.878 -16.219 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 31 6.692 -16.473 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.023 -19.395 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.081 -18.372 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.027 -16.968 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.046 -18.196 1.501 1.00 0.00 H new ATOM 530 N LYS A 32 7.302 -18.076 -2.318 1.00 0.00 N ATOM 531 CA LYS A 32 8.215 -18.575 -3.355 1.00 0.00 C ATOM 532 C LYS A 32 9.685 -18.538 -2.946 1.00 0.00 C ATOM 533 O LYS A 32 10.271 -19.592 -2.709 1.00 0.00 O ATOM 534 CB LYS A 32 7.904 -17.902 -4.701 1.00 0.00 C ATOM 535 CG LYS A 32 6.901 -18.777 -5.451 1.00 0.00 C ATOM 536 CD LYS A 32 6.319 -18.084 -6.681 1.00 0.00 C ATOM 537 CE LYS A 32 5.196 -18.978 -7.215 1.00 0.00 C ATOM 538 NZ LYS A 32 5.134 -18.988 -8.685 1.00 0.00 N ATOM 0 H LYS A 32 6.412 -17.780 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 32 8.030 -19.641 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.494 -16.905 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.816 -17.782 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.390 -19.702 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.090 -19.053 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.935 -17.098 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.088 -17.937 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.344 -19.996 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.242 -18.634 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.358 -19.607 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.966 -18.022 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.034 -19.342 -9.068 1.00 0.00 H new ATOM 552 N TYR A 33 10.300 -17.361 -2.900 1.00 0.00 N ATOM 553 CA TYR A 33 11.689 -17.187 -2.480 1.00 0.00 C ATOM 554 C TYR A 33 11.773 -15.806 -1.826 1.00 0.00 C ATOM 555 O TYR A 33 12.682 -15.017 -2.085 1.00 0.00 O ATOM 556 CB TYR A 33 12.685 -17.418 -3.635 1.00 0.00 C ATOM 557 CG TYR A 33 14.037 -17.985 -3.202 1.00 0.00 C ATOM 558 CD1 TYR A 33 14.783 -17.402 -2.155 1.00 0.00 C ATOM 559 CD2 TYR A 33 14.564 -19.111 -3.863 1.00 0.00 C ATOM 560 CE1 TYR A 33 16.033 -17.919 -1.779 1.00 0.00 C ATOM 561 CE2 TYR A 33 15.819 -19.634 -3.499 1.00 0.00 C ATOM 562 CZ TYR A 33 16.560 -19.036 -2.456 1.00 0.00 C ATOM 563 OH TYR A 33 17.774 -19.543 -2.106 1.00 0.00 O ATOM 0 H TYR A 33 9.842 -16.487 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 33 11.987 -17.943 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 33 12.234 -18.099 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 33 12.850 -16.472 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.385 -16.543 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.000 -19.578 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 33 16.588 -17.462 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 33 16.216 -20.494 -4.018 1.00 0.00 H new ATOM 0 HH TYR A 33 17.983 -20.313 -2.675 1.00 0.00 H new ATOM 573 N GLY A 34 10.791 -15.497 -0.975 1.00 0.00 N ATOM 574 CA GLY A 34 10.703 -14.226 -0.279 1.00 0.00 C ATOM 575 C GLY A 34 10.697 -13.081 -1.289 1.00 0.00 C ATOM 576 O GLY A 34 9.813 -13.040 -2.147 1.00 0.00 O ATOM 0 H GLY A 34 10.028 -16.136 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.797 -14.194 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.545 -14.116 0.404 1.00 0.00 H new ATOM 580 N SER A 35 11.708 -12.213 -1.238 1.00 0.00 N ATOM 581 CA SER A 35 11.862 -11.055 -2.102 1.00 0.00 C ATOM 582 C SER A 35 13.223 -11.084 -2.819 1.00 0.00 C ATOM 583 O SER A 35 13.268 -11.183 -4.050 1.00 0.00 O ATOM 584 CB SER A 35 11.649 -9.833 -1.200 1.00 0.00 C ATOM 585 OG SER A 35 11.434 -8.633 -1.908 1.00 0.00 O ATOM 0 H SER A 35 12.469 -12.306 -0.565 1.00 0.00 H new ATOM 0 HA SER A 35 11.136 -11.033 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.794 -10.018 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.520 -9.713 -0.556 1.00 0.00 H new ATOM 0 HG SER A 35 10.646 -8.177 -1.547 1.00 0.00 H new ATOM 591 N GLY A 36 14.345 -11.028 -2.095 1.00 0.00 N ATOM 592 CA GLY A 36 15.684 -11.040 -2.681 1.00 0.00 C ATOM 593 C GLY A 36 16.768 -10.865 -1.622 1.00 0.00 C ATOM 594 O GLY A 36 16.464 -10.677 -0.442 1.00 0.00 O ATOM 0 H GLY A 36 14.347 -10.973 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.841 -11.980 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.765 -10.242 -3.419 1.00 0.00 H new ATOM 598 N SER A 37 18.035 -10.919 -2.034 1.00 0.00 N ATOM 599 CA SER A 37 19.187 -10.791 -1.157 1.00 0.00 C ATOM 600 C SER A 37 19.428 -9.354 -0.662 1.00 0.00 C ATOM 601 O SER A 37 19.136 -9.054 0.505 1.00 0.00 O ATOM 602 CB SER A 37 20.414 -11.429 -1.821 1.00 0.00 C ATOM 603 OG SER A 37 21.432 -11.656 -0.868 1.00 0.00 O ATOM 0 H SER A 37 18.289 -11.057 -3.012 1.00 0.00 H new ATOM 0 HA SER A 37 18.977 -11.342 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.132 -12.371 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.787 -10.778 -2.611 1.00 0.00 H new ATOM 0 HG SER A 37 22.207 -12.065 -1.308 1.00 0.00 H new ATOM 609 N GLY A 38 19.993 -8.463 -1.481 1.00 0.00 N ATOM 610 CA GLY A 38 20.268 -7.092 -1.074 1.00 0.00 C ATOM 611 C GLY A 38 21.243 -6.417 -2.024 1.00 0.00 C ATOM 612 O GLY A 38 20.972 -6.327 -3.221 1.00 0.00 O ATOM 0 H GLY A 38 20.270 -8.675 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.337 -6.526 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.678 -7.086 -0.064 1.00 0.00 H new ATOM 616 N SER A 39 22.364 -5.917 -1.507 1.00 0.00 N ATOM 617 CA SER A 39 23.403 -5.251 -2.283 1.00 0.00 C ATOM 618 C SER A 39 24.730 -5.290 -1.519 1.00 0.00 C ATOM 619 O SER A 39 24.872 -6.035 -0.543 1.00 0.00 O ATOM 620 CB SER A 39 22.964 -3.814 -2.615 1.00 0.00 C ATOM 621 OG SER A 39 22.597 -3.045 -1.485 1.00 0.00 O ATOM 0 H SER A 39 22.578 -5.966 -0.511 1.00 0.00 H new ATOM 0 HA SER A 39 23.555 -5.774 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.777 -3.309 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.120 -3.854 -3.304 1.00 0.00 H new ATOM 0 HG SER A 39 22.332 -2.146 -1.773 1.00 0.00 H new ATOM 627 N GLY A 40 25.705 -4.519 -1.997 1.00 0.00 N ATOM 628 CA GLY A 40 27.032 -4.349 -1.442 1.00 0.00 C ATOM 629 C GLY A 40 27.278 -2.860 -1.209 1.00 0.00 C ATOM 630 O GLY A 40 26.423 -2.017 -1.507 1.00 0.00 O ATOM 0 H GLY A 40 25.572 -3.961 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.123 -4.898 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.781 -4.754 -2.123 1.00 0.00 H new ATOM 634 N SER A 41 28.446 -2.538 -0.671 1.00 0.00 N ATOM 635 CA SER A 41 28.883 -1.183 -0.364 1.00 0.00 C ATOM 636 C SER A 41 29.885 -0.712 -1.427 1.00 0.00 C ATOM 637 O SER A 41 29.983 -1.296 -2.511 1.00 0.00 O ATOM 638 CB SER A 41 29.464 -1.186 1.056 1.00 0.00 C ATOM 639 OG SER A 41 28.478 -1.616 1.972 1.00 0.00 O ATOM 0 H SER A 41 29.143 -3.242 -0.427 1.00 0.00 H new ATOM 0 HA SER A 41 28.055 -0.475 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 41 30.331 -1.845 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 41 29.809 -0.186 1.320 1.00 0.00 H new ATOM 0 HG SER A 41 28.852 -1.619 2.878 1.00 0.00 H new ATOM 645 N GLY A 42 30.587 0.390 -1.170 1.00 0.00 N ATOM 646 CA GLY A 42 31.590 0.975 -2.043 1.00 0.00 C ATOM 647 C GLY A 42 32.589 1.707 -1.154 1.00 0.00 C ATOM 648 O GLY A 42 32.235 2.096 -0.041 1.00 0.00 O ATOM 0 H GLY A 42 30.463 0.920 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 32.089 0.202 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 42 31.129 1.663 -2.752 1.00 0.00 H new ATOM 652 N SER A 43 33.823 1.873 -1.625 1.00 0.00 N ATOM 653 CA SER A 43 34.892 2.546 -0.901 1.00 0.00 C ATOM 654 C SER A 43 34.681 4.061 -0.944 1.00 0.00 C ATOM 655 O SER A 43 34.333 4.678 0.059 1.00 0.00 O ATOM 656 CB SER A 43 36.241 2.118 -1.505 1.00 0.00 C ATOM 657 OG SER A 43 36.159 2.013 -2.922 1.00 0.00 O ATOM 0 H SER A 43 34.111 1.534 -2.543 1.00 0.00 H new ATOM 0 HA SER A 43 34.887 2.260 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 43 37.010 2.842 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 43 36.544 1.160 -1.083 1.00 0.00 H new ATOM 0 HG SER A 43 35.912 1.097 -3.168 1.00 0.00 H new ATOM 663 N GLY A 44 34.850 4.656 -2.123 1.00 0.00 N ATOM 664 CA GLY A 44 34.704 6.079 -2.365 1.00 0.00 C ATOM 665 C GLY A 44 35.516 6.468 -3.594 1.00 0.00 C ATOM 666 O GLY A 44 36.222 5.637 -4.166 1.00 0.00 O ATOM 0 H GLY A 44 35.102 4.136 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 44 33.654 6.328 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 35.044 6.644 -1.497 1.00 0.00 H new ATOM 670 N SER A 45 35.451 7.743 -3.965 1.00 0.00 N ATOM 671 CA SER A 45 36.138 8.326 -5.114 1.00 0.00 C ATOM 672 C SER A 45 37.073 9.478 -4.713 1.00 0.00 C ATOM 673 O SER A 45 37.640 10.138 -5.581 1.00 0.00 O ATOM 674 CB SER A 45 35.073 8.761 -6.131 1.00 0.00 C ATOM 675 OG SER A 45 33.990 9.416 -5.486 1.00 0.00 O ATOM 0 H SER A 45 34.895 8.427 -3.452 1.00 0.00 H new ATOM 0 HA SER A 45 36.792 7.581 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 45 35.520 9.429 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 45 34.705 7.890 -6.673 1.00 0.00 H new ATOM 0 HG SER A 45 33.326 9.685 -6.154 1.00 0.00 H new ATOM 681 N GLY A 46 37.240 9.739 -3.414 1.00 0.00 N ATOM 682 CA GLY A 46 38.086 10.797 -2.893 1.00 0.00 C ATOM 683 C GLY A 46 38.259 10.624 -1.389 1.00 0.00 C ATOM 684 O GLY A 46 37.747 9.670 -0.800 1.00 0.00 O ATOM 0 H GLY A 46 36.775 9.202 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 46 39.058 10.774 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 46 37.643 11.769 -3.108 1.00 0.00 H new ATOM 688 N SER A 47 38.980 11.553 -0.769 1.00 0.00 N ATOM 689 CA SER A 47 39.281 11.585 0.656 1.00 0.00 C ATOM 690 C SER A 47 39.089 13.014 1.180 1.00 0.00 C ATOM 691 O SER A 47 38.616 13.879 0.440 1.00 0.00 O ATOM 692 CB SER A 47 40.703 11.028 0.854 1.00 0.00 C ATOM 693 OG SER A 47 41.642 11.618 -0.033 1.00 0.00 O ATOM 0 H SER A 47 39.389 12.341 -1.271 1.00 0.00 H new ATOM 0 HA SER A 47 38.604 10.958 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 47 41.019 11.202 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 47 40.692 9.949 0.703 1.00 0.00 H new ATOM 0 HG SER A 47 42.530 11.236 0.129 1.00 0.00 H new ATOM 699 N GLY A 48 39.409 13.263 2.458 1.00 0.00 N ATOM 700 CA GLY A 48 39.292 14.581 3.090 1.00 0.00 C ATOM 701 C GLY A 48 37.902 15.208 2.960 1.00 0.00 C ATOM 702 O GLY A 48 37.788 16.427 2.904 1.00 0.00 O ATOM 0 H GLY A 48 39.761 12.543 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 48 39.542 14.490 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 48 40.026 15.253 2.646 1.00 0.00 H new ATOM 706 N SER A 49 36.859 14.382 2.898 1.00 0.00 N ATOM 707 CA SER A 49 35.475 14.805 2.753 1.00 0.00 C ATOM 708 C SER A 49 34.612 13.923 3.655 1.00 0.00 C ATOM 709 O SER A 49 34.297 14.320 4.773 1.00 0.00 O ATOM 710 CB SER A 49 35.099 14.753 1.261 1.00 0.00 C ATOM 711 OG SER A 49 35.709 13.647 0.604 1.00 0.00 O ATOM 0 H SER A 49 36.962 13.368 2.949 1.00 0.00 H new ATOM 0 HA SER A 49 35.312 15.834 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 34.016 14.684 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 49 35.406 15.679 0.776 1.00 0.00 H new ATOM 0 HG SER A 49 36.664 13.828 0.477 1.00 0.00 H new ATOM 717 N GLY A 50 34.320 12.693 3.226 1.00 0.00 N ATOM 718 CA GLY A 50 33.513 11.744 3.985 1.00 0.00 C ATOM 719 C GLY A 50 32.095 11.640 3.430 1.00 0.00 C ATOM 720 O GLY A 50 31.777 12.198 2.376 1.00 0.00 O ATOM 0 H GLY A 50 34.643 12.327 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 33.986 10.762 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 50 33.473 12.053 5.029 1.00 0.00 H new ATOM 724 N SER A 51 31.252 10.873 4.119 1.00 0.00 N ATOM 725 CA SER A 51 29.863 10.623 3.773 1.00 0.00 C ATOM 726 C SER A 51 29.113 10.273 5.063 1.00 0.00 C ATOM 727 O SER A 51 29.731 9.811 6.030 1.00 0.00 O ATOM 728 CB SER A 51 29.846 9.456 2.775 1.00 0.00 C ATOM 729 OG SER A 51 28.538 9.115 2.380 1.00 0.00 O ATOM 0 H SER A 51 31.536 10.389 4.971 1.00 0.00 H new ATOM 0 HA SER A 51 29.380 11.488 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 51 30.432 9.723 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 51 30.326 8.587 3.226 1.00 0.00 H new ATOM 0 HG SER A 51 28.572 8.370 1.744 1.00 0.00 H new ATOM 735 N GLY A 52 27.792 10.442 5.072 1.00 0.00 N ATOM 736 CA GLY A 52 26.927 10.155 6.203 1.00 0.00 C ATOM 737 C GLY A 52 25.641 10.954 6.060 1.00 0.00 C ATOM 738 O GLY A 52 25.631 12.135 6.404 1.00 0.00 O ATOM 0 H GLY A 52 27.282 10.795 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 26.705 9.089 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.429 10.413 7.135 1.00 0.00 H new ATOM 742 N SER A 53 24.594 10.333 5.514 1.00 0.00 N ATOM 743 CA SER A 53 23.266 10.906 5.296 1.00 0.00 C ATOM 744 C SER A 53 22.201 9.864 5.687 1.00 0.00 C ATOM 745 O SER A 53 22.490 8.666 5.707 1.00 0.00 O ATOM 746 CB SER A 53 23.122 11.305 3.822 1.00 0.00 C ATOM 747 OG SER A 53 23.894 12.445 3.503 1.00 0.00 O ATOM 0 H SER A 53 24.654 9.366 5.195 1.00 0.00 H new ATOM 0 HA SER A 53 23.131 11.796 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 53 23.428 10.472 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 22.073 11.504 3.601 1.00 0.00 H new ATOM 0 HG SER A 53 23.776 12.665 2.555 1.00 0.00 H new ATOM 753 N GLY A 54 20.946 10.271 5.903 1.00 0.00 N ATOM 754 CA GLY A 54 19.847 9.383 6.290 1.00 0.00 C ATOM 755 C GLY A 54 18.740 10.194 6.962 1.00 0.00 C ATOM 756 O GLY A 54 18.762 11.422 6.881 1.00 0.00 O ATOM 0 H GLY A 54 20.661 11.246 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.454 8.871 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 20.211 8.613 6.971 1.00 0.00 H new ATOM 760 N SER A 55 17.814 9.525 7.655 1.00 0.00 N ATOM 761 CA SER A 55 16.671 10.094 8.381 1.00 0.00 C ATOM 762 C SER A 55 15.541 10.475 7.418 1.00 0.00 C ATOM 763 O SER A 55 15.730 10.483 6.197 1.00 0.00 O ATOM 764 CB SER A 55 17.104 11.282 9.263 1.00 0.00 C ATOM 765 OG SER A 55 16.217 11.508 10.338 1.00 0.00 O ATOM 0 H SER A 55 17.843 8.508 7.730 1.00 0.00 H new ATOM 0 HA SER A 55 16.280 9.327 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.104 11.095 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.165 12.182 8.651 1.00 0.00 H new ATOM 0 HG SER A 55 16.533 12.269 10.869 1.00 0.00 H new ATOM 771 N GLY A 56 14.374 10.816 7.963 1.00 0.00 N ATOM 772 CA GLY A 56 13.167 11.199 7.248 1.00 0.00 C ATOM 773 C GLY A 56 12.112 10.138 7.529 1.00 0.00 C ATOM 774 O GLY A 56 12.362 8.956 7.275 1.00 0.00 O ATOM 0 H GLY A 56 14.243 10.832 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.822 12.179 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.362 11.272 6.178 1.00 0.00 H new ATOM 778 N SER A 57 10.974 10.532 8.099 1.00 0.00 N ATOM 779 CA SER A 57 9.885 9.623 8.413 1.00 0.00 C ATOM 780 C SER A 57 8.557 10.376 8.428 1.00 0.00 C ATOM 781 O SER A 57 8.511 11.592 8.659 1.00 0.00 O ATOM 782 CB SER A 57 10.149 8.956 9.769 1.00 0.00 C ATOM 783 OG SER A 57 10.283 9.903 10.816 1.00 0.00 O ATOM 0 H SER A 57 10.785 11.501 8.356 1.00 0.00 H new ATOM 0 HA SER A 57 9.826 8.850 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.331 8.274 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.057 8.356 9.706 1.00 0.00 H new ATOM 0 HG SER A 57 10.448 9.435 11.661 1.00 0.00 H new ATOM 789 N GLY A 58 7.464 9.637 8.266 1.00 0.00 N ATOM 790 CA GLY A 58 6.100 10.120 8.251 1.00 0.00 C ATOM 791 C GLY A 58 5.255 9.194 7.394 1.00 0.00 C ATOM 792 O GLY A 58 5.039 8.034 7.759 1.00 0.00 O ATOM 0 H GLY A 58 7.517 8.627 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.704 10.159 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.065 11.135 7.855 1.00 0.00 H new ATOM 796 N TYR A 59 4.779 9.705 6.261 1.00 0.00 N ATOM 797 CA TYR A 59 3.938 8.990 5.309 1.00 0.00 C ATOM 798 C TYR A 59 4.672 7.847 4.594 1.00 0.00 C ATOM 799 O TYR A 59 5.742 7.389 5.010 1.00 0.00 O ATOM 800 CB TYR A 59 3.258 10.011 4.379 1.00 0.00 C ATOM 801 CG TYR A 59 4.156 10.945 3.589 1.00 0.00 C ATOM 802 CD1 TYR A 59 4.496 12.197 4.126 1.00 0.00 C ATOM 803 CD2 TYR A 59 4.576 10.616 2.287 1.00 0.00 C ATOM 804 CE1 TYR A 59 5.274 13.099 3.381 1.00 0.00 C ATOM 805 CE2 TYR A 59 5.362 11.510 1.540 1.00 0.00 C ATOM 806 CZ TYR A 59 5.717 12.763 2.086 1.00 0.00 C ATOM 807 OH TYR A 59 6.473 13.648 1.383 1.00 0.00 O ATOM 0 H TYR A 59 4.976 10.663 5.972 1.00 0.00 H new ATOM 0 HA TYR A 59 3.149 8.463 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.639 9.461 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.586 10.621 4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.158 12.468 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.291 9.667 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.535 14.058 3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.694 11.239 0.549 1.00 0.00 H new ATOM 0 HH TYR A 59 6.698 13.265 0.509 1.00 0.00 H new ATOM 817 N GLN A3288 4.032 7.309 3.557 1.00 0.00 N ATOM 818 CA GLN A3288 4.540 6.234 2.714 1.00 0.00 C ATOM 819 C GLN A3288 5.817 6.675 1.980 1.00 0.00 C ATOM 820 O GLN A3288 6.248 7.823 2.107 1.00 0.00 O ATOM 821 CB GLN A3288 3.435 5.857 1.716 1.00 0.00 C ATOM 822 CG GLN A3288 3.281 6.925 0.615 1.00 0.00 C ATOM 823 CD GLN A3288 1.872 7.051 0.065 1.00 0.00 C ATOM 824 OE1 GLN A3288 0.920 7.263 0.817 1.00 0.00 O ATOM 825 NE2 GLN A3288 1.726 6.965 -1.242 1.00 0.00 N ATOM 0 H GLN A3288 3.106 7.626 3.271 1.00 0.00 H new ATOM 0 HA GLN A3288 4.804 5.369 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A3288 3.667 4.894 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A3288 2.489 5.739 2.245 1.00 0.00 H new ATOM 0 HG2 GLN A3288 3.591 7.891 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A3288 3.959 6.687 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A3288 2.537 6.788 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A3288 0.802 7.075 -1.660 1.00 0.00 H new ATOM 834 N ILE A3289 6.407 5.774 1.194 1.00 0.00 N ATOM 835 CA ILE A3289 7.608 6.051 0.422 1.00 0.00 C ATOM 836 C ILE A3289 7.131 6.202 -1.020 1.00 0.00 C ATOM 837 O ILE A3289 6.888 5.230 -1.738 1.00 0.00 O ATOM 838 CB ILE A3289 8.730 5.013 0.640 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.978 4.754 2.144 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.010 5.561 -0.016 1.00 0.00 C ATOM 841 CD1 ILE A3289 10.017 3.667 2.428 1.00 0.00 C ATOM 0 H ILE A3289 6.057 4.823 1.078 1.00 0.00 H new ATOM 0 HA ILE A3289 8.101 6.966 0.749 1.00 0.00 H new ATOM 0 HB ILE A3289 8.437 4.063 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A3289 9.302 5.683 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A3289 8.035 4.472 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.823 4.848 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.837 5.713 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.278 6.511 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A3289 10.132 3.547 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.687 2.725 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.973 3.954 1.991 1.00 0.00 H new ATOM 853 N GLU A3290 6.905 7.446 -1.414 1.00 0.00 N ATOM 854 CA GLU A3290 6.441 7.850 -2.736 1.00 0.00 C ATOM 855 C GLU A3290 7.516 7.630 -3.814 1.00 0.00 C ATOM 856 O GLU A3290 7.240 7.762 -5.004 1.00 0.00 O ATOM 857 CB GLU A3290 5.938 9.297 -2.630 1.00 0.00 C ATOM 858 CG GLU A3290 5.131 9.736 -3.864 1.00 0.00 C ATOM 859 CD GLU A3290 4.043 10.779 -3.576 1.00 0.00 C ATOM 860 OE1 GLU A3290 3.967 11.324 -2.453 1.00 0.00 O ATOM 861 OE2 GLU A3290 3.240 11.045 -4.501 1.00 0.00 O ATOM 0 H GLU A3290 7.047 8.241 -0.791 1.00 0.00 H new ATOM 0 HA GLU A3290 5.613 7.223 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A3290 5.317 9.397 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.790 9.965 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.818 10.142 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A3290 4.665 8.857 -4.309 1.00 0.00 H new ATOM 868 N THR A3291 8.728 7.247 -3.407 1.00 0.00 N ATOM 869 CA THR A3291 9.878 7.018 -4.271 1.00 0.00 C ATOM 870 C THR A3291 10.508 5.629 -4.072 1.00 0.00 C ATOM 871 O THR A3291 11.732 5.489 -4.066 1.00 0.00 O ATOM 872 CB THR A3291 10.795 8.250 -4.094 1.00 0.00 C ATOM 873 OG1 THR A3291 11.849 8.312 -5.034 1.00 0.00 O ATOM 874 CG2 THR A3291 11.393 8.378 -2.684 1.00 0.00 C ATOM 0 H THR A3291 8.939 7.082 -2.423 1.00 0.00 H new ATOM 0 HA THR A3291 9.609 6.954 -5.325 1.00 0.00 H new ATOM 0 HB THR A3291 10.118 9.087 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A3291 12.251 7.424 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A3291 12.025 9.265 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A3291 10.588 8.465 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.991 7.494 -2.461 1.00 0.00 H new ATOM 882 N PHE A3292 9.691 4.585 -3.864 1.00 0.00 N ATOM 883 CA PHE A3292 10.190 3.226 -3.681 1.00 0.00 C ATOM 884 C PHE A3292 9.206 2.257 -4.322 1.00 0.00 C ATOM 885 O PHE A3292 9.334 1.926 -5.497 1.00 0.00 O ATOM 886 CB PHE A3292 10.448 2.966 -2.189 1.00 0.00 C ATOM 887 CG PHE A3292 10.962 1.580 -1.819 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.853 0.867 -2.648 1.00 0.00 C ATOM 889 CD2 PHE A3292 10.532 0.990 -0.616 1.00 0.00 C ATOM 890 CE1 PHE A3292 12.270 -0.430 -2.296 1.00 0.00 C ATOM 891 CE2 PHE A3292 10.956 -0.300 -0.257 1.00 0.00 C ATOM 892 CZ PHE A3292 11.813 -1.021 -1.106 1.00 0.00 C ATOM 0 H PHE A3292 8.675 4.664 -3.819 1.00 0.00 H new ATOM 0 HA PHE A3292 11.149 3.079 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A3292 11.168 3.703 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A3292 9.519 3.141 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A3292 12.217 1.319 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A3292 9.868 1.535 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A3292 12.943 -0.973 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.623 -0.738 0.672 1.00 0.00 H new ATOM 0 HZ PHE A3292 12.119 -2.024 -0.845 1.00 0.00 H new ATOM 902 N PHE A3293 8.169 1.864 -3.595 1.00 0.00 N ATOM 903 CA PHE A3293 7.135 0.943 -4.054 1.00 0.00 C ATOM 904 C PHE A3293 6.019 1.640 -4.833 1.00 0.00 C ATOM 905 O PHE A3293 5.013 1.028 -5.172 1.00 0.00 O ATOM 906 CB PHE A3293 6.628 0.181 -2.829 1.00 0.00 C ATOM 907 CG PHE A3293 6.471 0.967 -1.540 1.00 0.00 C ATOM 908 CD1 PHE A3293 7.241 0.604 -0.420 1.00 0.00 C ATOM 909 CD2 PHE A3293 5.637 2.097 -1.471 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.177 1.363 0.758 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.562 2.844 -0.284 1.00 0.00 C ATOM 912 CZ PHE A3293 6.310 2.463 0.844 1.00 0.00 C ATOM 0 H PHE A3293 8.018 2.187 -2.639 1.00 0.00 H new ATOM 0 HA PHE A3293 7.555 0.242 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A3293 5.661 -0.255 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A3293 7.311 -0.647 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A3293 7.884 -0.262 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A3293 5.054 2.391 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.797 1.100 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.926 3.716 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.218 3.013 1.769 1.00 0.00 H new ATOM 922 N ALA A3294 6.177 2.930 -5.141 1.00 0.00 N ATOM 923 CA ALA A3294 5.192 3.721 -5.867 1.00 0.00 C ATOM 924 C ALA A3294 4.724 3.082 -7.183 1.00 0.00 C ATOM 925 O ALA A3294 3.621 3.387 -7.628 1.00 0.00 O ATOM 926 CB ALA A3294 5.755 5.119 -6.081 1.00 0.00 C ATOM 0 H ALA A3294 7.011 3.460 -4.886 1.00 0.00 H new ATOM 0 HA ALA A3294 4.289 3.770 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A3294 5.029 5.724 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A3294 5.962 5.580 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A3294 6.678 5.055 -6.658 1.00 0.00 H new ATOM 932 N GLN A3295 5.542 2.221 -7.795 1.00 0.00 N ATOM 933 CA GLN A3295 5.236 1.527 -9.043 1.00 0.00 C ATOM 934 C GLN A3295 4.166 0.467 -8.839 1.00 0.00 C ATOM 935 O GLN A3295 3.281 0.333 -9.677 1.00 0.00 O ATOM 936 CB GLN A3295 6.506 0.862 -9.584 1.00 0.00 C ATOM 937 CG GLN A3295 7.529 1.906 -10.024 1.00 0.00 C ATOM 938 CD GLN A3295 7.080 2.623 -11.296 1.00 0.00 C ATOM 939 OE1 GLN A3295 7.308 2.120 -12.393 1.00 0.00 O ATOM 940 NE2 GLN A3295 6.398 3.754 -11.191 1.00 0.00 N ATOM 0 H GLN A3295 6.461 1.983 -7.423 1.00 0.00 H new ATOM 0 HA GLN A3295 4.861 2.262 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A3295 6.941 0.223 -8.815 1.00 0.00 H new ATOM 0 HB3 GLN A3295 6.253 0.219 -10.427 1.00 0.00 H new ATOM 0 HG2 GLN A3295 7.675 2.634 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A3295 8.492 1.425 -10.196 1.00 0.00 H new ATOM 0 HE21 GLN A3295 6.218 4.157 -10.272 1.00 0.00 H new ATOM 0 HE22 GLN A3295 6.053 4.221 -12.029 1.00 0.00 H new ATOM 949 N ASP A3296 4.301 -0.352 -7.801 1.00 0.00 N ATOM 950 CA ASP A3296 3.315 -1.392 -7.490 1.00 0.00 C ATOM 951 C ASP A3296 2.103 -0.805 -6.765 1.00 0.00 C ATOM 952 O ASP A3296 0.990 -1.295 -6.922 1.00 0.00 O ATOM 953 CB ASP A3296 3.922 -2.581 -6.735 1.00 0.00 C ATOM 954 CG ASP A3296 4.677 -2.215 -5.463 1.00 0.00 C ATOM 955 OD1 ASP A3296 5.903 -1.985 -5.581 1.00 0.00 O ATOM 956 OD2 ASP A3296 4.117 -2.250 -4.346 1.00 0.00 O ATOM 0 H ASP A3296 5.089 -0.318 -7.154 1.00 0.00 H new ATOM 0 HA ASP A3296 2.967 -1.793 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.123 -3.276 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A3296 4.601 -3.109 -7.404 1.00 0.00 H new ATOM 961 N ILE A3297 2.279 0.301 -6.045 1.00 0.00 N ATOM 962 CA ILE A3297 1.233 0.979 -5.286 1.00 0.00 C ATOM 963 C ILE A3297 0.049 1.373 -6.157 1.00 0.00 C ATOM 964 O ILE A3297 -1.098 1.215 -5.741 1.00 0.00 O ATOM 965 CB ILE A3297 1.862 2.198 -4.573 1.00 0.00 C ATOM 966 CG1 ILE A3297 2.060 1.960 -3.068 1.00 0.00 C ATOM 967 CG2 ILE A3297 1.123 3.532 -4.801 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.704 0.621 -2.677 1.00 0.00 C ATOM 0 H ILE A3297 3.185 0.765 -5.972 1.00 0.00 H new ATOM 0 HA ILE A3297 0.826 0.293 -4.543 1.00 0.00 H new ATOM 0 HB ILE A3297 2.837 2.299 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A3297 2.676 2.767 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A3297 1.089 2.030 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A3297 1.636 4.329 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A3297 1.110 3.763 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A3297 0.100 3.448 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.794 0.563 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A3297 2.082 -0.200 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A3297 3.694 0.548 -3.127 1.00 0.00 H new ATOM 980 N GLU A3298 0.320 1.943 -7.327 1.00 0.00 N ATOM 981 CA GLU A3298 -0.717 2.375 -8.245 1.00 0.00 C ATOM 982 C GLU A3298 -1.536 1.159 -8.667 1.00 0.00 C ATOM 983 O GLU A3298 -2.752 1.215 -8.759 1.00 0.00 O ATOM 984 CB GLU A3298 -0.088 3.100 -9.451 1.00 0.00 C ATOM 985 CG GLU A3298 1.162 2.389 -9.992 1.00 0.00 C ATOM 986 CD GLU A3298 1.569 2.810 -11.398 1.00 0.00 C ATOM 987 OE1 GLU A3298 2.587 3.523 -11.555 1.00 0.00 O ATOM 988 OE2 GLU A3298 0.904 2.373 -12.369 1.00 0.00 O ATOM 0 H GLU A3298 1.268 2.117 -7.662 1.00 0.00 H new ATOM 0 HA GLU A3298 -1.385 3.087 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -0.828 3.179 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A3298 0.176 4.117 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A3298 1.994 2.579 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A3298 0.984 1.314 -9.985 1.00 0.00 H new ATOM 995 N SER A3299 -0.877 0.031 -8.881 1.00 0.00 N ATOM 996 CA SER A3299 -1.479 -1.209 -9.311 1.00 0.00 C ATOM 997 C SER A3299 -2.378 -1.789 -8.225 1.00 0.00 C ATOM 998 O SER A3299 -3.455 -2.310 -8.517 1.00 0.00 O ATOM 999 CB SER A3299 -0.347 -2.165 -9.671 1.00 0.00 C ATOM 1000 OG SER A3299 0.668 -1.526 -10.425 1.00 0.00 O ATOM 0 H SER A3299 0.132 -0.042 -8.753 1.00 0.00 H new ATOM 0 HA SER A3299 -2.117 -1.042 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A3299 0.084 -2.576 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.748 -3.004 -10.240 1.00 0.00 H new ATOM 0 HG SER A3299 1.375 -2.171 -10.634 1.00 0.00 H new ATOM 1006 N VAL A3300 -1.927 -1.673 -6.980 1.00 0.00 N ATOM 1007 CA VAL A3300 -2.594 -2.128 -5.778 1.00 0.00 C ATOM 1008 C VAL A3300 -3.829 -1.250 -5.572 1.00 0.00 C ATOM 1009 O VAL A3300 -4.938 -1.759 -5.415 1.00 0.00 O ATOM 1010 CB VAL A3300 -1.552 -2.065 -4.633 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -2.098 -2.153 -3.204 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -0.539 -3.201 -4.812 1.00 0.00 C ATOM 0 H VAL A3300 -1.030 -1.231 -6.778 1.00 0.00 H new ATOM 0 HA VAL A3300 -2.954 -3.156 -5.826 1.00 0.00 H new ATOM 0 HB VAL A3300 -1.116 -1.070 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -1.272 -2.098 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -2.785 -1.326 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.625 -3.098 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A3300 0.197 -3.162 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -1.058 -4.159 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -0.035 -3.091 -5.772 1.00 0.00 H new ATOM 1022 N GLN A3301 -3.686 0.078 -5.587 1.00 0.00 N ATOM 1023 CA GLN A3301 -4.835 0.961 -5.375 1.00 0.00 C ATOM 1024 C GLN A3301 -5.851 0.812 -6.501 1.00 0.00 C ATOM 1025 O GLN A3301 -7.050 0.910 -6.239 1.00 0.00 O ATOM 1026 CB GLN A3301 -4.423 2.414 -5.083 1.00 0.00 C ATOM 1027 CG GLN A3301 -4.038 3.262 -6.301 1.00 0.00 C ATOM 1028 CD GLN A3301 -5.152 4.165 -6.867 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -6.399 3.718 -6.955 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -4.894 5.291 -7.280 1.00 0.00 N flip ATOM 0 H GLN A3301 -2.800 0.559 -5.741 1.00 0.00 H new ATOM 0 HA GLN A3301 -5.341 0.641 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -5.247 2.908 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -3.579 2.400 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -3.190 3.890 -6.030 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -3.700 2.594 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -3.941 5.650 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -5.632 5.868 -7.683 1.00 0.00 H new ATOM 1039 N LYS A3302 -5.392 0.571 -7.735 1.00 0.00 N ATOM 1040 CA LYS A3302 -6.233 0.382 -8.913 1.00 0.00 C ATOM 1041 C LYS A3302 -7.183 -0.795 -8.702 1.00 0.00 C ATOM 1042 O LYS A3302 -8.252 -0.822 -9.317 1.00 0.00 O ATOM 1043 CB LYS A3302 -5.369 0.246 -10.177 1.00 0.00 C ATOM 1044 CG LYS A3302 -5.041 1.644 -10.737 1.00 0.00 C ATOM 1045 CD LYS A3302 -3.844 1.687 -11.694 1.00 0.00 C ATOM 1046 CE LYS A3302 -3.975 0.785 -12.920 1.00 0.00 C ATOM 1047 NZ LYS A3302 -2.715 0.802 -13.682 1.00 0.00 N ATOM 0 H LYS A3302 -4.396 0.501 -7.943 1.00 0.00 H new ATOM 0 HA LYS A3302 -6.857 1.264 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -4.448 -0.288 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -5.897 -0.342 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -5.919 2.027 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -4.846 2.318 -9.903 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -3.701 2.714 -12.029 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -2.946 1.403 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -4.211 -0.233 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -4.797 1.126 -13.549 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -2.806 0.188 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -2.508 1.774 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -1.941 0.456 -13.080 1.00 0.00 H new ATOM 1061 N GLU A3303 -6.810 -1.774 -7.875 1.00 0.00 N ATOM 1062 CA GLU A3303 -7.668 -2.922 -7.606 1.00 0.00 C ATOM 1063 C GLU A3303 -8.865 -2.488 -6.745 1.00 0.00 C ATOM 1064 O GLU A3303 -10.003 -2.825 -7.060 1.00 0.00 O ATOM 1065 CB GLU A3303 -6.847 -4.101 -7.009 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.030 -4.324 -5.498 1.00 0.00 C ATOM 1067 CD GLU A3303 -6.083 -5.355 -4.875 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.225 -4.965 -4.048 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -6.240 -6.567 -5.131 1.00 0.00 O ATOM 0 H GLU A3303 -5.918 -1.792 -7.381 1.00 0.00 H new ATOM 0 HA GLU A3303 -8.082 -3.305 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -7.123 -5.017 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -5.790 -3.926 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -6.893 -3.371 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.057 -4.639 -5.315 1.00 0.00 H new ATOM 1076 N LEU A3304 -8.641 -1.668 -5.712 1.00 0.00 N ATOM 1077 CA LEU A3304 -9.672 -1.216 -4.779 1.00 0.00 C ATOM 1078 C LEU A3304 -10.624 -0.135 -5.243 1.00 0.00 C ATOM 1079 O LEU A3304 -11.743 -0.068 -4.749 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.000 -0.622 -3.550 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.037 -1.544 -2.819 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.642 -0.834 -1.534 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.585 -2.934 -2.490 1.00 0.00 C ATOM 0 H LEU A3304 -7.716 -1.293 -5.499 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.260 -2.120 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.458 0.275 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.775 -0.307 -2.851 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.196 -1.734 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.948 -1.459 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -7.162 0.115 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -8.532 -0.648 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.821 -3.512 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.464 -2.837 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -8.861 -3.444 -3.413 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.209 0.747 -6.138 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.078 1.828 -6.603 1.00 0.00 C ATOM 1097 C GLU A3305 -12.358 1.329 -7.285 1.00 0.00 C ATOM 1098 O GLU A3305 -13.313 2.100 -7.426 1.00 0.00 O ATOM 1099 CB GLU A3305 -10.281 2.827 -7.446 1.00 0.00 C ATOM 1100 CG GLU A3305 -9.470 2.107 -8.521 1.00 0.00 C ATOM 1101 CD GLU A3305 -8.756 3.052 -9.494 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -8.685 2.692 -10.691 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -8.269 4.127 -9.068 1.00 0.00 O ATOM 0 H GLU A3305 -9.280 0.740 -6.559 1.00 0.00 H new ATOM 0 HA GLU A3305 -11.441 2.362 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -10.961 3.539 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -9.613 3.400 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -8.729 1.470 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -10.134 1.452 -9.086 1.00 0.00 H new ATOM 1110 N ASN A3306 -12.390 0.061 -7.710 1.00 0.00 N ATOM 1111 CA ASN A3306 -13.567 -0.523 -8.340 1.00 0.00 C ATOM 1112 C ASN A3306 -14.342 -1.376 -7.332 1.00 0.00 C ATOM 1113 O ASN A3306 -15.409 -1.882 -7.698 1.00 0.00 O ATOM 1114 CB ASN A3306 -13.206 -1.310 -9.614 1.00 0.00 C ATOM 1115 CG ASN A3306 -12.464 -2.612 -9.348 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -12.985 -3.568 -8.788 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -11.211 -2.681 -9.752 1.00 0.00 N ATOM 0 H ASN A3306 -11.602 -0.582 -7.625 1.00 0.00 H new ATOM 0 HA ASN A3306 -14.219 0.289 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -14.121 -1.531 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -12.592 -0.679 -10.257 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -10.672 -3.533 -9.598 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -10.781 -1.882 -10.218 1.00 0.00 H new ATOM 1124 N LEU A3307 -13.822 -1.585 -6.110 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.527 -2.390 -5.114 1.00 0.00 C ATOM 1126 C LEU A3307 -15.557 -1.527 -4.383 1.00 0.00 C ATOM 1127 O LEU A3307 -15.405 -0.311 -4.322 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.528 -3.000 -4.112 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.088 -4.472 -4.294 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -13.965 -5.335 -5.204 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.652 -4.555 -4.779 1.00 0.00 C ATOM 0 H LEU A3307 -12.927 -1.210 -5.797 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.045 -3.204 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.629 -2.384 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.962 -2.907 -3.116 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.199 -4.890 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.556 -6.344 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -14.978 -5.373 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -13.986 -4.903 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.368 -5.601 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.561 -4.043 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -10.994 -4.082 -4.050 1.00 0.00 H new ATOM 1143 N SER A3308 -16.613 -2.156 -3.862 1.00 0.00 N ATOM 1144 CA SER A3308 -17.701 -1.507 -3.125 1.00 0.00 C ATOM 1145 C SER A3308 -17.352 -1.381 -1.639 1.00 0.00 C ATOM 1146 O SER A3308 -16.341 -1.930 -1.207 1.00 0.00 O ATOM 1147 CB SER A3308 -18.982 -2.340 -3.270 1.00 0.00 C ATOM 1148 OG SER A3308 -19.057 -3.057 -4.492 1.00 0.00 O ATOM 0 H SER A3308 -16.739 -3.165 -3.944 1.00 0.00 H new ATOM 0 HA SER A3308 -17.851 -0.509 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A3308 -19.043 -3.044 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A3308 -19.846 -1.680 -3.192 1.00 0.00 H new ATOM 0 HG SER A3308 -19.893 -3.567 -4.521 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.170 -0.703 -0.820 1.00 0.00 N ATOM 1155 CA GLU A3309 -17.876 -0.599 0.605 1.00 0.00 C ATOM 1156 C GLU A3309 -17.836 -2.004 1.189 1.00 0.00 C ATOM 1157 O GLU A3309 -16.856 -2.335 1.822 1.00 0.00 O ATOM 1158 CB GLU A3309 -18.950 0.196 1.371 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.741 1.705 1.388 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.580 2.438 2.446 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.690 1.978 3.608 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.119 3.523 2.125 1.00 0.00 O ATOM 0 H GLU A3309 -19.023 -0.229 -1.118 1.00 0.00 H new ATOM 0 HA GLU A3309 -16.925 -0.078 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -19.923 -0.016 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -18.983 -0.163 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -17.686 1.914 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -18.983 2.107 0.404 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.769 -2.877 0.827 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.865 -4.245 1.339 1.00 0.00 C ATOM 1171 C GLU A3310 -17.536 -4.981 1.195 1.00 0.00 C ATOM 1172 O GLU A3310 -17.280 -6.001 1.837 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.931 -5.040 0.553 1.00 0.00 C ATOM 1174 CG GLU A3310 -21.357 -4.483 0.599 1.00 0.00 C ATOM 1175 CD GLU A3310 -22.121 -4.747 1.900 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -22.306 -3.770 2.669 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -22.676 -5.855 2.087 1.00 0.00 O ATOM 0 H GLU A3310 -19.500 -2.650 0.152 1.00 0.00 H new ATOM 0 HA GLU A3310 -19.137 -4.176 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.618 -5.096 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -19.949 -6.061 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -21.314 -3.406 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -21.923 -4.910 -0.229 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.782 -4.644 0.157 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.502 -5.249 -0.060 1.00 0.00 C ATOM 1186 C GLU A3311 -14.425 -4.593 0.790 1.00 0.00 C ATOM 1187 O GLU A3311 -13.731 -5.273 1.530 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.190 -5.073 -1.532 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.206 -5.768 -2.448 1.00 0.00 C ATOM 1190 CD GLU A3311 -15.821 -7.208 -2.790 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -14.946 -7.809 -2.125 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -16.485 -7.798 -3.668 1.00 0.00 O ATOM 0 H GLU A3311 -17.048 -3.951 -0.543 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.524 -6.301 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.165 -4.009 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.195 -5.468 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.183 -5.765 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.305 -5.196 -3.371 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.309 -3.263 0.705 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.297 -2.456 1.394 1.00 0.00 C ATOM 1201 C LEU A3312 -13.528 -2.217 2.882 1.00 0.00 C ATOM 1202 O LEU A3312 -12.655 -2.475 3.713 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.181 -1.073 0.724 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.258 -1.049 -0.814 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -13.882 0.265 -1.270 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -11.903 -1.353 -1.437 1.00 0.00 C ATOM 0 H LEU A3312 -14.940 -2.700 0.134 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.389 -3.053 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -13.974 -0.436 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.234 -0.625 1.026 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.911 -1.845 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -13.937 0.283 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -14.886 0.355 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.270 1.098 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -11.988 -1.329 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.178 -0.606 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.571 -2.342 -1.121 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.706 -1.690 3.210 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.204 -1.376 4.530 1.00 0.00 C ATOM 1220 C LEU A3313 -15.124 -2.654 5.337 1.00 0.00 C ATOM 1221 O LEU A3313 -14.672 -2.607 6.475 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.638 -0.773 4.417 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.393 -0.517 5.743 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.964 -1.784 6.387 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.601 0.238 6.815 1.00 0.00 C ATOM 0 H LEU A3313 -15.389 -1.455 2.490 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.615 -0.614 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.568 0.172 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.242 -1.444 3.806 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.206 0.126 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.478 -1.522 7.312 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.668 -2.255 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -17.153 -2.478 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.220 0.365 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.707 -0.329 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.311 1.216 6.432 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.442 -3.804 4.748 1.00 0.00 N ATOM 1238 CA ALA A3314 -15.387 -5.035 5.505 1.00 0.00 C ATOM 1239 C ALA A3314 -13.956 -5.445 5.866 1.00 0.00 C ATOM 1240 O ALA A3314 -13.756 -6.117 6.869 1.00 0.00 O ATOM 1241 CB ALA A3314 -16.038 -6.129 4.677 1.00 0.00 C ATOM 0 H ALA A3314 -15.732 -3.902 3.775 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.915 -4.880 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -16.008 -7.069 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -17.074 -5.862 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.499 -6.243 3.736 1.00 0.00 H new ATOM 1247 N MET A3315 -12.942 -5.050 5.089 1.00 0.00 N ATOM 1248 CA MET A3315 -11.546 -5.441 5.349 1.00 0.00 C ATOM 1249 C MET A3315 -10.971 -4.630 6.485 1.00 0.00 C ATOM 1250 O MET A3315 -10.453 -5.176 7.457 1.00 0.00 O ATOM 1251 CB MET A3315 -10.660 -5.255 4.110 1.00 0.00 C ATOM 1252 CG MET A3315 -11.306 -5.852 2.872 1.00 0.00 C ATOM 1253 SD MET A3315 -10.594 -7.364 2.188 1.00 0.00 S ATOM 1254 CE MET A3315 -11.825 -7.733 0.904 1.00 0.00 C ATOM 0 H MET A3315 -13.060 -4.456 4.269 1.00 0.00 H new ATOM 0 HA MET A3315 -11.558 -6.498 5.614 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.475 -4.193 3.949 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.691 -5.725 4.280 1.00 0.00 H new ATOM 0 HG2 MET A3315 -12.352 -6.051 3.105 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.292 -5.093 2.090 1.00 0.00 H new ATOM 0 HE1 MET A3315 -11.540 -8.644 0.378 1.00 0.00 H new ATOM 0 HE2 MET A3315 -12.802 -7.872 1.366 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.872 -6.905 0.197 1.00 0.00 H new ATOM 1264 N LEU A3316 -11.031 -3.307 6.341 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.543 -2.395 7.362 1.00 0.00 C ATOM 1266 C LEU A3316 -11.308 -2.639 8.658 1.00 0.00 C ATOM 1267 O LEU A3316 -10.694 -2.649 9.728 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.668 -0.938 6.885 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.081 -0.498 6.459 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.879 0.170 7.595 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.969 0.563 5.370 1.00 0.00 C ATOM 0 H LEU A3316 -11.417 -2.844 5.518 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.485 -2.579 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.328 -0.282 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.991 -0.790 6.043 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.590 -1.406 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.865 0.456 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.989 -0.530 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.349 1.058 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.967 0.878 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.419 1.422 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.441 0.149 4.511 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.616 -2.902 8.550 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.444 -3.127 9.722 1.00 0.00 C ATOM 1285 C ASN A3317 -13.256 -4.517 10.308 1.00 0.00 C ATOM 1286 O ASN A3317 -13.365 -4.688 11.520 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.926 -2.918 9.387 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.673 -2.630 10.667 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.221 -3.508 11.315 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.636 -1.380 11.081 1.00 0.00 N ATOM 0 H ASN A3317 -13.115 -2.962 7.662 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.126 -2.400 10.469 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -15.043 -2.091 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -15.333 -3.806 8.903 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.073 -1.123 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.170 -0.669 10.517 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.864 -5.470 9.466 1.00 0.00 N ATOM 1298 CA GLY A3318 -12.639 -6.877 9.798 1.00 0.00 C ATOM 1299 C GLY A3318 -13.944 -7.678 9.896 1.00 0.00 C ATOM 1300 O GLY A3318 -13.942 -8.833 10.330 1.00 0.00 O ATOM 0 H GLY A3318 -12.685 -5.272 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.997 -7.327 9.040 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -12.106 -6.942 10.746 1.00 0.00 H new ATOM 1304 N ASP A3319 -15.065 -7.046 9.567 1.00 0.00 N ATOM 1305 CA ASP A3319 -16.418 -7.596 9.568 1.00 0.00 C ATOM 1306 C ASP A3319 -16.669 -8.258 8.200 1.00 0.00 C ATOM 1307 O ASP A3319 -15.732 -8.506 7.434 1.00 0.00 O ATOM 1308 CB ASP A3319 -17.425 -6.465 9.898 1.00 0.00 C ATOM 1309 CG ASP A3319 -17.806 -6.386 11.382 1.00 0.00 C ATOM 1310 OD1 ASP A3319 -16.968 -6.674 12.268 1.00 0.00 O ATOM 1311 OD2 ASP A3319 -18.965 -6.001 11.664 1.00 0.00 O ATOM 0 H ASP A3319 -15.053 -6.070 9.272 1.00 0.00 H new ATOM 0 HA ASP A3319 -16.547 -8.362 10.333 1.00 0.00 H new ATOM 0 HB2 ASP A3319 -16.998 -5.510 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A3319 -18.329 -6.614 9.308 1.00 0.00 H new ATOM 1316 N GLN A3320 -17.929 -8.582 7.895 1.00 0.00 N ATOM 1317 CA GLN A3320 -18.374 -9.200 6.643 1.00 0.00 C ATOM 1318 C GLN A3320 -19.452 -8.362 5.950 1.00 0.00 C ATOM 1319 O GLN A3320 -20.292 -8.897 5.222 1.00 0.00 O ATOM 1320 CB GLN A3320 -18.806 -10.654 6.896 1.00 0.00 C ATOM 1321 CG GLN A3320 -20.085 -10.752 7.745 1.00 0.00 C ATOM 1322 CD GLN A3320 -20.393 -12.190 8.118 1.00 0.00 C ATOM 1323 OE1 GLN A3320 -19.965 -12.651 9.174 1.00 0.00 O ATOM 1324 NE2 GLN A3320 -21.146 -12.913 7.309 1.00 0.00 N ATOM 0 H GLN A3320 -18.700 -8.413 8.542 1.00 0.00 H new ATOM 0 HA GLN A3320 -17.536 -9.229 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A3320 -18.970 -11.152 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A3320 -17.999 -11.187 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A3320 -19.969 -10.157 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A3320 -20.924 -10.330 7.192 1.00 0.00 H new ATOM 0 HE21 GLN A3320 -21.491 -12.510 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A3320 -21.383 -13.874 7.556 1.00 0.00 H new ATOM 1333 N GLN A3321 -19.525 -7.086 6.314 1.00 0.00 N ATOM 1334 CA GLN A3321 -20.464 -6.139 5.749 1.00 0.00 C ATOM 1335 C GLN A3321 -19.769 -5.583 4.532 1.00 0.00 C ATOM 1336 O GLN A3321 -19.217 -4.468 4.635 1.00 0.00 O ATOM 1337 CB GLN A3321 -20.833 -5.049 6.768 1.00 0.00 C ATOM 1338 CG GLN A3321 -21.926 -5.507 7.733 1.00 0.00 C ATOM 1339 CD GLN A3321 -23.307 -5.588 7.075 1.00 0.00 C ATOM 1340 OE1 GLN A3321 -23.702 -4.734 6.286 1.00 0.00 O ATOM 1341 NE2 GLN A3321 -24.078 -6.620 7.360 1.00 0.00 N ATOM 0 H GLN A3321 -18.918 -6.678 7.025 1.00 0.00 H new ATOM 0 HA GLN A3321 -21.413 -6.602 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A3321 -19.945 -4.768 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A3321 -21.169 -4.157 6.238 1.00 0.00 H new ATOM 0 HG2 GLN A3321 -21.662 -6.486 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A3321 -21.971 -4.818 8.576 1.00 0.00 H new ATOM 0 HE21 GLN A3321 -23.755 -7.332 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A3321 -24.997 -6.705 6.926 1.00 0.00 H new TER 1350 GLN A3321