USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= 0.116 K(o=0.49,f=-0.56) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.377 K(o=0.49,f=-0.3) USER MOD Single : A 4 ASN : amide:sc= -0.0899 X(o=-0.09,f=-0.00083) USER MOD Single : A 6 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.46) USER MOD Single : A 7 THR OG1 : rot 122:sc= 0.212 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.527 (180deg=-0.113) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.344) 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) USER MOD Single : A 26 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.2) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= -0.0263 F(o=-1.9!,f=-0.026) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.181 X(o=0.18,f=0) 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=-0.00419 X(o=-0.0042,f=0.047) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -25.409 9.344 0.021 1.00 0.00 N ATOM 33 CA ILE A 3 -24.623 8.706 -1.025 1.00 0.00 C ATOM 34 C ILE A 3 -23.787 7.583 -0.405 1.00 0.00 C ATOM 35 O ILE A 3 -23.525 7.577 0.799 1.00 0.00 O ATOM 36 CB ILE A 3 -23.848 9.795 -1.799 1.00 0.00 C ATOM 37 CG1 ILE A 3 -23.650 9.367 -3.264 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.528 10.198 -1.115 1.00 0.00 C ATOM 39 CD1 ILE A 3 -23.422 10.553 -4.199 1.00 0.00 C ATOM 0 HA ILE A 3 -25.237 8.211 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.455 10.700 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.798 8.690 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -24.526 8.810 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -22.031 10.966 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.738 10.588 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.879 9.326 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -23.289 10.192 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.284 11.218 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -22.530 11.096 -3.887 1.00 0.00 H new ATOM 51 N ASN A 4 -23.371 6.635 -1.234 1.00 0.00 N ATOM 52 CA ASN A 4 -22.585 5.477 -0.836 1.00 0.00 C ATOM 53 C ASN A 4 -21.445 5.272 -1.823 1.00 0.00 C ATOM 54 O ASN A 4 -20.321 5.093 -1.378 1.00 0.00 O ATOM 55 CB ASN A 4 -23.488 4.248 -0.668 1.00 0.00 C ATOM 56 CG ASN A 4 -24.309 3.963 -1.909 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.406 4.492 -2.073 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.791 3.198 -2.840 1.00 0.00 N ATOM 0 H ASN A 4 -23.578 6.652 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.129 5.645 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.874 3.378 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.156 4.404 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.299 3.038 -3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.880 2.763 -2.694 1.00 0.00 H new ATOM 65 N GLU A 5 -21.674 5.409 -3.133 1.00 0.00 N ATOM 66 CA GLU A 5 -20.645 5.254 -4.174 1.00 0.00 C ATOM 67 C GLU A 5 -19.522 6.269 -3.924 1.00 0.00 C ATOM 68 O GLU A 5 -18.340 5.974 -4.044 1.00 0.00 O ATOM 69 CB GLU A 5 -21.272 5.468 -5.560 1.00 0.00 C ATOM 70 CG GLU A 5 -22.128 4.263 -5.983 1.00 0.00 C ATOM 71 CD GLU A 5 -23.158 4.591 -7.066 1.00 0.00 C ATOM 72 OE1 GLU A 5 -22.938 5.497 -7.899 1.00 0.00 O ATOM 73 OE2 GLU A 5 -24.246 3.961 -7.057 1.00 0.00 O ATOM 0 H GLU A 5 -22.595 5.635 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.228 4.247 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.888 6.367 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.484 5.632 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.472 3.472 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.646 3.871 -5.108 1.00 0.00 H new ATOM 80 N GLN A 6 -19.921 7.478 -3.533 1.00 0.00 N ATOM 81 CA GLN A 6 -19.013 8.577 -3.217 1.00 0.00 C ATOM 82 C GLN A 6 -18.372 8.359 -1.839 1.00 0.00 C ATOM 83 O GLN A 6 -17.332 8.939 -1.552 1.00 0.00 O ATOM 84 CB GLN A 6 -19.705 9.939 -3.389 1.00 0.00 C ATOM 85 CG GLN A 6 -19.344 10.563 -4.749 1.00 0.00 C ATOM 86 CD GLN A 6 -20.287 11.687 -5.173 1.00 0.00 C ATOM 87 OE1 GLN A 6 -20.900 11.632 -6.239 1.00 0.00 O ATOM 88 NE2 GLN A 6 -20.454 12.718 -4.363 1.00 0.00 N ATOM 0 H GLN A 6 -20.905 7.725 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 6 -18.191 8.588 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.785 9.816 -3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.405 10.610 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.326 10.951 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.354 9.784 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.945 12.761 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.092 13.471 -4.621 1.00 0.00 H new ATOM 97 N THR A 7 -19.026 7.629 -0.929 1.00 0.00 N ATOM 98 CA THR A 7 -18.485 7.334 0.392 1.00 0.00 C ATOM 99 C THR A 7 -17.410 6.253 0.304 1.00 0.00 C ATOM 100 O THR A 7 -16.486 6.283 1.106 1.00 0.00 O ATOM 101 CB THR A 7 -19.588 6.876 1.334 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.528 7.923 1.483 1.00 0.00 O ATOM 103 CG2 THR A 7 -19.039 6.449 2.694 1.00 0.00 C ATOM 0 H THR A 7 -19.949 7.227 -1.094 1.00 0.00 H new ATOM 0 HA THR A 7 -18.040 8.249 0.783 1.00 0.00 H new ATOM 0 HB THR A 7 -20.071 6.000 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 7 -21.415 7.607 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.861 6.130 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.341 5.623 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.523 7.289 3.158 1.00 0.00 H new ATOM 111 N LEU A 8 -17.431 5.349 -0.677 1.00 0.00 N ATOM 112 CA LEU A 8 -16.435 4.296 -0.836 1.00 0.00 C ATOM 113 C LEU A 8 -15.064 4.955 -0.838 1.00 0.00 C ATOM 114 O LEU A 8 -14.139 4.334 -0.353 1.00 0.00 O ATOM 115 CB LEU A 8 -16.600 3.577 -2.183 1.00 0.00 C ATOM 116 CG LEU A 8 -18.007 3.083 -2.578 1.00 0.00 C ATOM 117 CD1 LEU A 8 -18.033 2.348 -3.922 1.00 0.00 C ATOM 118 CD2 LEU A 8 -18.623 2.188 -1.514 1.00 0.00 C ATOM 0 H LEU A 8 -18.155 5.331 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.551 3.574 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.252 4.252 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.932 2.716 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.602 3.991 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.051 2.027 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.686 3.017 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.380 1.477 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.613 1.866 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.989 1.315 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.710 2.741 -0.579 1.00 0.00 H new ATOM 130 N ASP A 9 -14.921 6.204 -1.295 1.00 0.00 N ATOM 131 CA ASP A 9 -13.671 6.963 -1.348 1.00 0.00 C ATOM 132 C ASP A 9 -12.962 6.958 0.004 1.00 0.00 C ATOM 133 O ASP A 9 -11.765 6.646 0.049 1.00 0.00 O ATOM 134 CB ASP A 9 -13.935 8.419 -1.759 1.00 0.00 C ATOM 135 CG ASP A 9 -13.748 8.701 -3.240 1.00 0.00 C ATOM 136 OD1 ASP A 9 -13.300 9.824 -3.585 1.00 0.00 O ATOM 137 OD2 ASP A 9 -14.009 7.786 -4.049 1.00 0.00 O ATOM 0 H ASP A 9 -15.713 6.737 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.034 6.480 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.955 8.683 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.269 9.069 -1.192 1.00 0.00 H new ATOM 142 N LYS A 10 -13.658 7.251 1.110 1.00 0.00 N ATOM 143 CA LYS A 10 -12.991 7.254 2.418 1.00 0.00 C ATOM 144 C LYS A 10 -12.547 5.843 2.801 1.00 0.00 C ATOM 145 O LYS A 10 -11.656 5.690 3.645 1.00 0.00 O ATOM 146 CB LYS A 10 -13.845 7.943 3.501 1.00 0.00 C ATOM 147 CG LYS A 10 -15.035 7.112 3.967 1.00 0.00 C ATOM 148 CD LYS A 10 -16.060 7.879 4.795 1.00 0.00 C ATOM 149 CE LYS A 10 -15.587 8.099 6.223 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.577 8.876 6.990 1.00 0.00 N ATOM 0 H LYS A 10 -14.651 7.482 1.129 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.087 7.857 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.213 8.169 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.208 8.895 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.534 6.693 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.666 6.272 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.258 8.843 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.002 7.330 4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.419 7.137 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.632 8.624 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.233 9.014 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.717 9.802 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.480 8.361 7.013 1.00 0.00 H new ATOM 164 N LEU A 11 -13.256 4.821 2.321 1.00 0.00 N ATOM 165 CA LEU A 11 -12.981 3.422 2.571 1.00 0.00 C ATOM 166 C LEU A 11 -11.787 2.961 1.735 1.00 0.00 C ATOM 167 O LEU A 11 -10.826 2.433 2.277 1.00 0.00 O ATOM 168 CB LEU A 11 -14.227 2.548 2.303 1.00 0.00 C ATOM 169 CG LEU A 11 -15.413 2.613 3.279 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.039 2.605 4.759 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.344 3.791 3.025 1.00 0.00 C ATOM 0 H LEU A 11 -14.070 4.961 1.723 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.727 3.305 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.602 2.807 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.896 1.510 2.257 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.934 1.680 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.945 2.654 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.496 1.689 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.409 3.467 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.158 3.775 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.787 4.723 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.754 3.720 2.018 1.00 0.00 H new ATOM 183 N ARG A 12 -11.795 3.167 0.417 1.00 0.00 N ATOM 184 CA ARG A 12 -10.721 2.738 -0.474 1.00 0.00 C ATOM 185 C ARG A 12 -9.405 3.362 -0.098 1.00 0.00 C ATOM 186 O ARG A 12 -8.396 2.669 -0.095 1.00 0.00 O ATOM 187 CB ARG A 12 -11.088 2.958 -1.947 1.00 0.00 C ATOM 188 CG ARG A 12 -11.535 4.389 -2.291 1.00 0.00 C ATOM 189 CD ARG A 12 -11.596 4.542 -3.792 1.00 0.00 C ATOM 190 NE ARG A 12 -11.931 5.890 -4.291 1.00 0.00 N ATOM 191 CZ ARG A 12 -11.396 6.520 -5.348 1.00 0.00 C ATOM 192 NH1 ARG A 12 -10.256 6.135 -5.904 1.00 0.00 N ATOM 193 NH2 ARG A 12 -12.015 7.570 -5.859 1.00 0.00 N ATOM 0 H ARG A 12 -12.558 3.642 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.595 1.663 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.226 2.703 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.888 2.268 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.512 4.593 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.838 5.112 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.630 4.252 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.333 3.839 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.649 6.399 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.751 5.332 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.883 6.642 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.891 7.895 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.616 8.056 -6.662 1.00 0.00 H new ATOM 207 N GLN A 13 -9.396 4.641 0.255 1.00 0.00 N ATOM 208 CA GLN A 13 -8.173 5.306 0.647 1.00 0.00 C ATOM 209 C GLN A 13 -7.638 4.681 1.954 1.00 0.00 C ATOM 210 O GLN A 13 -6.433 4.629 2.173 1.00 0.00 O ATOM 211 CB GLN A 13 -8.382 6.822 0.635 1.00 0.00 C ATOM 212 CG GLN A 13 -9.255 7.307 1.790 1.00 0.00 C ATOM 213 CD GLN A 13 -8.443 7.571 3.052 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.312 8.057 3.018 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.977 7.179 4.192 1.00 0.00 N ATOM 0 H GLN A 13 -10.226 5.234 0.276 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.369 5.146 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.413 7.318 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.842 7.114 -0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.772 8.220 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.021 6.562 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.915 6.778 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.452 7.277 5.061 1.00 0.00 H new ATOM 224 N ALA A 14 -8.514 4.189 2.839 1.00 0.00 N ATOM 225 CA ALA A 14 -8.113 3.552 4.087 1.00 0.00 C ATOM 226 C ALA A 14 -7.508 2.178 3.772 1.00 0.00 C ATOM 227 O ALA A 14 -6.466 1.812 4.316 1.00 0.00 O ATOM 228 CB ALA A 14 -9.329 3.425 5.010 1.00 0.00 C ATOM 0 H ALA A 14 -9.524 4.225 2.703 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.362 4.155 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.029 2.949 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.731 4.416 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.094 2.820 4.523 1.00 0.00 H new ATOM 234 N VAL A 15 -8.142 1.407 2.881 1.00 0.00 N ATOM 235 CA VAL A 15 -7.633 0.088 2.510 1.00 0.00 C ATOM 236 C VAL A 15 -6.298 0.270 1.780 1.00 0.00 C ATOM 237 O VAL A 15 -5.314 -0.372 2.130 1.00 0.00 O ATOM 238 CB VAL A 15 -8.656 -0.716 1.696 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.151 -2.132 1.397 1.00 0.00 C ATOM 240 CG2 VAL A 15 -9.967 -0.865 2.455 1.00 0.00 C ATOM 0 H VAL A 15 -9.005 1.675 2.407 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.462 -0.505 3.408 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.806 -0.163 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.902 -2.672 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.225 -2.075 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.967 -2.658 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.672 -1.439 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.786 -1.384 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.383 0.121 2.659 1.00 0.00 H new ATOM 250 N LEU A 16 -6.208 1.168 0.797 1.00 0.00 N ATOM 251 CA LEU A 16 -4.944 1.384 0.081 1.00 0.00 C ATOM 252 C LEU A 16 -3.834 1.775 1.057 1.00 0.00 C ATOM 253 O LEU A 16 -2.721 1.281 0.907 1.00 0.00 O ATOM 254 CB LEU A 16 -5.069 2.303 -1.147 1.00 0.00 C ATOM 255 CG LEU A 16 -5.188 3.812 -0.954 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.824 4.490 -0.887 1.00 0.00 C ATOM 257 CD2 LEU A 16 -6.032 4.407 -2.105 1.00 0.00 C ATOM 0 H LEU A 16 -6.982 1.751 0.480 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.653 0.431 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.199 2.123 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.944 1.977 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.681 3.996 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.957 5.563 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.257 4.084 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.281 4.308 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.120 5.485 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.546 4.198 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.025 3.958 -2.098 1.00 0.00 H new ATOM 269 N GLN A 17 -4.121 2.585 2.085 1.00 0.00 N ATOM 270 CA GLN A 17 -3.117 2.974 3.069 1.00 0.00 C ATOM 271 C GLN A 17 -2.508 1.730 3.726 1.00 0.00 C ATOM 272 O GLN A 17 -1.277 1.631 3.795 1.00 0.00 O ATOM 273 CB GLN A 17 -3.714 3.888 4.147 1.00 0.00 C ATOM 274 CG GLN A 17 -3.722 5.373 3.774 1.00 0.00 C ATOM 275 CD GLN A 17 -4.238 6.197 4.945 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.712 6.114 6.056 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.277 6.984 4.750 1.00 0.00 N ATOM 0 H GLN A 17 -5.046 2.982 2.252 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.337 3.527 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.736 3.570 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.149 3.759 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.716 5.695 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.352 5.534 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.704 7.045 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.654 7.532 5.523 1.00 0.00 H new ATOM 286 N LYS A 18 -3.317 0.766 4.201 1.00 0.00 N ATOM 287 CA LYS A 18 -2.747 -0.420 4.827 1.00 0.00 C ATOM 288 C LYS A 18 -1.940 -1.239 3.819 1.00 0.00 C ATOM 289 O LYS A 18 -0.855 -1.708 4.153 1.00 0.00 O ATOM 290 CB LYS A 18 -3.855 -1.228 5.518 1.00 0.00 C ATOM 291 CG LYS A 18 -4.557 -2.247 4.611 1.00 0.00 C ATOM 292 CD LYS A 18 -6.029 -2.461 4.931 1.00 0.00 C ATOM 293 CE LYS A 18 -6.169 -3.594 5.947 1.00 0.00 C ATOM 294 NZ LYS A 18 -5.686 -4.906 5.440 1.00 0.00 N ATOM 0 H LYS A 18 -4.336 0.789 4.162 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.039 -0.120 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.426 -1.754 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.600 -0.537 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.467 -1.917 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.038 -3.202 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.463 -1.544 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.579 -2.704 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.613 -3.334 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.216 -3.687 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.191 -5.674 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.864 -4.970 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.665 -4.993 5.620 1.00 0.00 H new ATOM 308 N LYS A 19 -2.405 -1.337 2.567 1.00 0.00 N ATOM 309 CA LYS A 19 -1.757 -2.101 1.511 1.00 0.00 C ATOM 310 C LYS A 19 -0.325 -1.652 1.300 1.00 0.00 C ATOM 311 O LYS A 19 0.513 -2.509 1.011 1.00 0.00 O ATOM 312 CB LYS A 19 -2.588 -2.056 0.219 1.00 0.00 C ATOM 313 CG LYS A 19 -3.775 -3.032 0.301 1.00 0.00 C ATOM 314 CD LYS A 19 -4.807 -2.782 -0.808 1.00 0.00 C ATOM 315 CE LYS A 19 -5.577 -4.033 -1.246 1.00 0.00 C ATOM 316 NZ LYS A 19 -6.271 -4.711 -0.137 1.00 0.00 N ATOM 0 H LYS A 19 -3.261 -0.875 2.261 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.707 -3.144 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.955 -1.043 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.958 -2.312 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.407 -4.056 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.258 -2.934 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.520 -2.033 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.297 -2.361 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.307 -3.754 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.884 -4.733 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.855 -5.653 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.169 -4.149 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.280 -4.810 -0.368 1.00 0.00 H new ATOM 330 N ILE A 20 -0.005 -0.367 1.489 1.00 0.00 N ATOM 331 CA ILE A 20 1.362 0.111 1.302 1.00 0.00 C ATOM 332 C ILE A 20 2.275 -0.525 2.364 1.00 0.00 C ATOM 333 O ILE A 20 3.418 -0.860 2.065 1.00 0.00 O ATOM 334 CB ILE A 20 1.465 1.655 1.275 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.316 2.381 0.543 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.796 2.074 0.622 1.00 0.00 C ATOM 337 CD1 ILE A 20 -0.085 1.811 -0.827 1.00 0.00 C ATOM 0 H ILE A 20 -0.671 0.353 1.769 1.00 0.00 H new ATOM 0 HA ILE A 20 1.702 -0.205 0.316 1.00 0.00 H new ATOM 0 HB ILE A 20 1.402 1.958 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.562 2.370 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.601 3.425 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.866 3.162 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.628 1.666 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.837 1.691 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.900 2.403 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.771 1.848 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.410 0.777 -0.710 1.00 0.00 H new ATOM 349 N LYS A 21 1.779 -0.715 3.595 1.00 0.00 N ATOM 350 CA LYS A 21 2.519 -1.330 4.701 1.00 0.00 C ATOM 351 C LYS A 21 2.631 -2.835 4.492 1.00 0.00 C ATOM 352 O LYS A 21 3.585 -3.450 4.964 1.00 0.00 O ATOM 353 CB LYS A 21 1.760 -1.201 6.030 1.00 0.00 C ATOM 354 CG LYS A 21 1.202 0.195 6.325 1.00 0.00 C ATOM 355 CD LYS A 21 0.867 0.369 7.811 1.00 0.00 C ATOM 356 CE LYS A 21 -0.373 -0.433 8.233 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.092 -1.554 9.155 1.00 0.00 N ATOM 0 H LYS A 21 0.832 -0.439 3.853 1.00 0.00 H new ATOM 0 HA LYS A 21 3.484 -0.825 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.935 -1.913 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.428 -1.488 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.930 0.949 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.306 0.362 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.721 0.055 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.701 1.426 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.083 0.243 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.857 -0.827 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.980 -2.042 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.561 -2.223 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.342 -1.187 10.026 1.00 0.00 H new ATOM 371 N GLU A 22 1.644 -3.436 3.834 1.00 0.00 N ATOM 372 CA GLU A 22 1.618 -4.863 3.587 1.00 0.00 C ATOM 373 C GLU A 22 2.670 -5.188 2.533 1.00 0.00 C ATOM 374 O GLU A 22 3.552 -5.994 2.820 1.00 0.00 O ATOM 375 CB GLU A 22 0.194 -5.314 3.205 1.00 0.00 C ATOM 376 CG GLU A 22 -0.747 -5.117 4.411 1.00 0.00 C ATOM 377 CD GLU A 22 -2.260 -5.312 4.174 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.974 -5.780 5.101 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.803 -4.830 3.158 1.00 0.00 O ATOM 0 H GLU A 22 0.837 -2.938 3.457 1.00 0.00 H new ATOM 0 HA GLU A 22 1.870 -5.424 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.165 -4.738 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.201 -6.361 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.438 -5.808 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.594 -4.109 4.796 1.00 0.00 H new ATOM 386 N ARG A 23 2.693 -4.477 1.399 1.00 0.00 N ATOM 387 CA ARG A 23 3.677 -4.744 0.344 1.00 0.00 C ATOM 388 C ARG A 23 5.113 -4.541 0.805 1.00 0.00 C ATOM 389 O ARG A 23 5.979 -5.292 0.381 1.00 0.00 O ATOM 390 CB ARG A 23 3.354 -4.001 -0.964 1.00 0.00 C ATOM 391 CG ARG A 23 3.199 -2.475 -0.871 1.00 0.00 C ATOM 392 CD ARG A 23 4.466 -1.631 -1.084 1.00 0.00 C ATOM 393 NE ARG A 23 5.283 -2.050 -2.237 1.00 0.00 N ATOM 394 CZ ARG A 23 4.958 -2.093 -3.534 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.754 -1.749 -3.979 1.00 0.00 N ATOM 396 NH2 ARG A 23 5.867 -2.481 -4.413 1.00 0.00 N ATOM 0 H ARG A 23 2.046 -3.717 1.190 1.00 0.00 H new ATOM 0 HA ARG A 23 3.593 -5.806 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.143 -4.220 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.430 -4.413 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.457 -2.164 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.793 -2.235 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.177 -0.589 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.077 -1.679 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 23 6.232 -2.350 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.038 -1.438 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.546 -1.796 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.801 -2.743 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.634 -2.519 -5.405 1.00 0.00 H new ATOM 410 N ILE A 24 5.383 -3.567 1.674 1.00 0.00 N ATOM 411 CA ILE A 24 6.736 -3.325 2.168 1.00 0.00 C ATOM 412 C ILE A 24 7.122 -4.362 3.232 1.00 0.00 C ATOM 413 O ILE A 24 8.254 -4.840 3.224 1.00 0.00 O ATOM 414 CB ILE A 24 6.864 -1.876 2.696 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.308 -1.534 3.122 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.879 -1.599 3.842 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.384 -0.224 3.908 1.00 0.00 C ATOM 0 H ILE A 24 4.679 -2.932 2.051 1.00 0.00 H new ATOM 0 HA ILE A 24 7.439 -3.438 1.342 1.00 0.00 H new ATOM 0 HB ILE A 24 6.605 -1.222 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.707 -2.345 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.939 -1.461 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.000 -0.572 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.859 -1.746 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.079 -2.283 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.419 -0.026 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.011 0.593 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.776 -0.304 4.809 1.00 0.00 H new ATOM 429 N GLN A 25 6.214 -4.709 4.153 1.00 0.00 N ATOM 430 CA GLN A 25 6.507 -5.659 5.221 1.00 0.00 C ATOM 431 C GLN A 25 6.577 -7.095 4.721 1.00 0.00 C ATOM 432 O GLN A 25 7.511 -7.819 5.058 1.00 0.00 O ATOM 433 CB GLN A 25 5.424 -5.537 6.302 1.00 0.00 C ATOM 434 CG GLN A 25 5.760 -6.283 7.593 1.00 0.00 C ATOM 435 CD GLN A 25 4.553 -6.304 8.529 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.160 -5.279 9.080 1.00 0.00 O ATOM 437 NE2 GLN A 25 3.891 -7.436 8.681 1.00 0.00 N ATOM 0 H GLN A 25 5.264 -4.339 4.175 1.00 0.00 H new ATOM 0 HA GLN A 25 7.489 -5.416 5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.269 -4.483 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.483 -5.919 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.066 -7.303 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.604 -5.802 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.220 -8.285 8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.050 -7.462 9.258 1.00 0.00 H new ATOM 446 N ASN A 26 5.593 -7.521 3.929 1.00 0.00 N ATOM 447 CA ASN A 26 5.576 -8.880 3.414 1.00 0.00 C ATOM 448 C ASN A 26 6.582 -8.961 2.273 1.00 0.00 C ATOM 449 O ASN A 26 7.506 -9.772 2.329 1.00 0.00 O ATOM 450 CB ASN A 26 4.160 -9.249 2.919 1.00 0.00 C ATOM 451 CG ASN A 26 3.143 -9.258 4.051 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.940 -10.277 4.709 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.515 -8.136 4.354 1.00 0.00 N ATOM 0 H ASN A 26 4.804 -6.945 3.635 1.00 0.00 H new ATOM 0 HA ASN A 26 5.845 -9.586 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.846 -8.537 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.186 -10.231 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.860 -8.113 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.685 -7.292 3.807 1.00 0.00 H new ATOM 460 N SER A 27 6.476 -8.056 1.290 1.00 0.00 N ATOM 461 CA SER A 27 7.355 -7.999 0.117 1.00 0.00 C ATOM 462 C SER A 27 7.561 -9.403 -0.480 1.00 0.00 C ATOM 463 O SER A 27 8.675 -9.803 -0.824 1.00 0.00 O ATOM 464 CB SER A 27 8.650 -7.305 0.557 1.00 0.00 C ATOM 465 OG SER A 27 9.303 -6.654 -0.508 1.00 0.00 O ATOM 0 H SER A 27 5.761 -7.328 1.290 1.00 0.00 H new ATOM 0 HA SER A 27 6.915 -7.420 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.422 -6.579 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.323 -8.042 0.995 1.00 0.00 H new ATOM 0 HG SER A 27 10.121 -6.226 -0.178 1.00 0.00 H new ATOM 834 N ILE A3289 5.907 7.154 -0.699 1.00 0.00 N ATOM 835 CA ILE A3289 7.095 7.209 -1.540 1.00 0.00 C ATOM 836 C ILE A3289 6.684 7.171 -3.013 1.00 0.00 C ATOM 837 O ILE A3289 6.462 6.113 -3.599 1.00 0.00 O ATOM 838 CB ILE A3289 8.138 6.147 -1.112 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.306 6.087 0.428 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.488 6.503 -1.759 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.138 4.912 0.941 1.00 0.00 C ATOM 0 HA ILE A3289 7.615 8.157 -1.402 1.00 0.00 H new ATOM 0 HB ILE A3289 7.790 5.168 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.769 7.015 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.317 6.040 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.236 5.765 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.382 6.505 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.803 7.491 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.198 4.956 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.668 3.975 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.142 4.965 0.519 1.00 0.00 H new ATOM 853 N GLU A3290 6.508 8.355 -3.587 1.00 0.00 N ATOM 854 CA GLU A3290 6.128 8.584 -4.976 1.00 0.00 C ATOM 855 C GLU A3290 7.277 8.203 -5.933 1.00 0.00 C ATOM 856 O GLU A3290 7.090 8.105 -7.143 1.00 0.00 O ATOM 857 CB GLU A3290 5.736 10.065 -5.102 1.00 0.00 C ATOM 858 CG GLU A3290 5.003 10.396 -6.405 1.00 0.00 C ATOM 859 CD GLU A3290 4.522 11.847 -6.398 1.00 0.00 C ATOM 860 OE1 GLU A3290 3.533 12.145 -5.686 1.00 0.00 O ATOM 861 OE2 GLU A3290 5.141 12.728 -7.040 1.00 0.00 O ATOM 0 H GLU A3290 6.633 9.226 -3.070 1.00 0.00 H new ATOM 0 HA GLU A3290 5.284 7.954 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A3290 5.101 10.337 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.635 10.677 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.667 10.231 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A3290 4.153 9.726 -6.531 1.00 0.00 H new ATOM 868 N THR A3291 8.469 7.929 -5.410 1.00 0.00 N ATOM 869 CA THR A3291 9.656 7.558 -6.166 1.00 0.00 C ATOM 870 C THR A3291 10.146 6.208 -5.627 1.00 0.00 C ATOM 871 O THR A3291 11.201 6.121 -4.996 1.00 0.00 O ATOM 872 CB THR A3291 10.622 8.764 -6.156 1.00 0.00 C ATOM 873 OG1 THR A3291 11.757 8.590 -6.985 1.00 0.00 O ATOM 874 CG2 THR A3291 11.086 9.227 -4.771 1.00 0.00 C ATOM 0 H THR A3291 8.639 7.962 -4.405 1.00 0.00 H new ATOM 0 HA THR A3291 9.500 7.370 -7.228 1.00 0.00 H new ATOM 0 HB THR A3291 9.993 9.554 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A3291 12.325 9.387 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A3291 11.759 10.077 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A3291 10.221 9.522 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.608 8.411 -4.271 1.00 0.00 H new ATOM 882 N PHE A3292 9.307 5.164 -5.771 1.00 0.00 N ATOM 883 CA PHE A3292 9.621 3.818 -5.328 1.00 0.00 C ATOM 884 C PHE A3292 8.603 2.848 -5.928 1.00 0.00 C ATOM 885 O PHE A3292 8.882 2.208 -6.935 1.00 0.00 O ATOM 886 CB PHE A3292 9.636 3.740 -3.789 1.00 0.00 C ATOM 887 CG PHE A3292 9.870 2.369 -3.181 1.00 0.00 C ATOM 888 CD1 PHE A3292 10.481 1.325 -3.905 1.00 0.00 C ATOM 889 CD2 PHE A3292 9.491 2.147 -1.845 1.00 0.00 C ATOM 890 CE1 PHE A3292 10.650 0.068 -3.312 1.00 0.00 C ATOM 891 CE2 PHE A3292 9.687 0.891 -1.242 1.00 0.00 C ATOM 892 CZ PHE A3292 10.255 -0.155 -1.983 1.00 0.00 C ATOM 0 H PHE A3292 8.387 5.246 -6.204 1.00 0.00 H new ATOM 0 HA PHE A3292 10.618 3.541 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.411 4.413 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.683 4.119 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A3292 10.819 1.495 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A3292 9.045 2.949 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A3292 11.088 -0.738 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A3292 9.401 0.733 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A3292 10.388 -1.128 -1.534 1.00 0.00 H new ATOM 902 N PHE A3293 7.399 2.800 -5.359 1.00 0.00 N ATOM 903 CA PHE A3293 6.298 1.920 -5.749 1.00 0.00 C ATOM 904 C PHE A3293 5.131 2.654 -6.413 1.00 0.00 C ATOM 905 O PHE A3293 4.030 2.109 -6.492 1.00 0.00 O ATOM 906 CB PHE A3293 5.859 1.136 -4.497 1.00 0.00 C ATOM 907 CG PHE A3293 5.779 1.919 -3.193 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.345 1.387 -2.019 1.00 0.00 C ATOM 909 CD2 PHE A3293 5.195 3.200 -3.153 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.356 2.144 -0.833 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.196 3.945 -1.969 1.00 0.00 C ATOM 912 CZ PHE A3293 5.796 3.431 -0.813 1.00 0.00 C ATOM 0 H PHE A3293 7.153 3.404 -4.575 1.00 0.00 H new ATOM 0 HA PHE A3293 6.650 1.235 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A3293 4.879 0.702 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.552 0.307 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A3293 6.772 0.395 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.743 3.610 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.796 1.734 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.732 4.920 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.828 4.022 0.090 1.00 0.00 H new ATOM 922 N ALA A3294 5.351 3.878 -6.903 1.00 0.00 N ATOM 923 CA ALA A3294 4.319 4.694 -7.535 1.00 0.00 C ATOM 924 C ALA A3294 3.530 3.978 -8.625 1.00 0.00 C ATOM 925 O ALA A3294 2.352 4.291 -8.790 1.00 0.00 O ATOM 926 CB ALA A3294 4.951 5.955 -8.112 1.00 0.00 C ATOM 0 H ALA A3294 6.264 4.332 -6.870 1.00 0.00 H new ATOM 0 HA ALA A3294 3.601 4.933 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A3294 4.181 6.565 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A3294 5.424 6.524 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A3294 5.701 5.680 -8.854 1.00 0.00 H new ATOM 932 N GLN A3295 4.160 3.048 -9.345 1.00 0.00 N ATOM 933 CA GLN A3295 3.474 2.318 -10.412 1.00 0.00 C ATOM 934 C GLN A3295 2.532 1.263 -9.856 1.00 0.00 C ATOM 935 O GLN A3295 1.470 1.013 -10.408 1.00 0.00 O ATOM 936 CB GLN A3295 4.473 1.633 -11.344 1.00 0.00 C ATOM 937 CG GLN A3295 5.456 2.611 -11.990 1.00 0.00 C ATOM 938 CD GLN A3295 4.734 3.768 -12.681 1.00 0.00 C ATOM 939 OE1 GLN A3295 3.758 3.573 -13.407 1.00 0.00 O ATOM 940 NE2 GLN A3295 5.141 5.000 -12.433 1.00 0.00 N ATOM 0 H GLN A3295 5.136 2.784 -9.210 1.00 0.00 H new ATOM 0 HA GLN A3295 2.897 3.057 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A3295 5.031 0.884 -10.782 1.00 0.00 H new ATOM 0 HB3 GLN A3295 3.928 1.104 -12.126 1.00 0.00 H new ATOM 0 HG2 GLN A3295 6.129 3.005 -11.229 1.00 0.00 H new ATOM 0 HG3 GLN A3295 6.072 2.081 -12.717 1.00 0.00 H new ATOM 0 HE21 GLN A3295 5.949 5.159 -11.832 1.00 0.00 H new ATOM 0 HE22 GLN A3295 4.647 5.793 -12.843 1.00 0.00 H new ATOM 949 N ASP A3296 2.918 0.607 -8.770 1.00 0.00 N ATOM 950 CA ASP A3296 2.046 -0.409 -8.188 1.00 0.00 C ATOM 951 C ASP A3296 0.911 0.268 -7.426 1.00 0.00 C ATOM 952 O ASP A3296 -0.161 -0.303 -7.285 1.00 0.00 O ATOM 953 CB ASP A3296 2.789 -1.301 -7.194 1.00 0.00 C ATOM 954 CG ASP A3296 3.958 -2.082 -7.773 1.00 0.00 C ATOM 955 OD1 ASP A3296 3.885 -2.635 -8.891 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.007 -2.079 -7.091 1.00 0.00 O ATOM 0 H ASP A3296 3.803 0.752 -8.284 1.00 0.00 H new ATOM 0 HA ASP A3296 1.674 -1.019 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.157 -0.680 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.079 -2.007 -6.763 1.00 0.00 H new ATOM 961 N ILE A3297 1.135 1.473 -6.904 1.00 0.00 N ATOM 962 CA ILE A3297 0.163 2.232 -6.130 1.00 0.00 C ATOM 963 C ILE A3297 -1.124 2.438 -6.920 1.00 0.00 C ATOM 964 O ILE A3297 -2.211 2.261 -6.364 1.00 0.00 O ATOM 965 CB ILE A3297 0.821 3.571 -5.673 1.00 0.00 C ATOM 966 CG1 ILE A3297 1.074 3.630 -4.155 1.00 0.00 C ATOM 967 CG2 ILE A3297 0.060 4.841 -6.084 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.004 2.519 -3.671 1.00 0.00 C ATOM 0 H ILE A3297 2.025 1.959 -7.013 1.00 0.00 H new ATOM 0 HA ILE A3297 -0.125 1.676 -5.238 1.00 0.00 H new ATOM 0 HB ILE A3297 1.770 3.563 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.506 4.598 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.122 3.557 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A3297 0.595 5.719 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -0.015 4.885 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -0.941 4.821 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.148 2.608 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.562 1.549 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A3297 2.967 2.606 -4.174 1.00 0.00 H new ATOM 980 N GLU A3298 -1.004 2.831 -8.185 1.00 0.00 N ATOM 981 CA GLU A3298 -2.143 3.084 -9.047 1.00 0.00 C ATOM 982 C GLU A3298 -2.843 1.769 -9.373 1.00 0.00 C ATOM 983 O GLU A3298 -4.067 1.718 -9.392 1.00 0.00 O ATOM 984 CB GLU A3298 -1.704 3.849 -10.306 1.00 0.00 C ATOM 985 CG GLU A3298 -0.470 3.225 -10.963 1.00 0.00 C ATOM 986 CD GLU A3298 -0.279 3.633 -12.413 1.00 0.00 C ATOM 987 OE1 GLU A3298 -0.008 4.828 -12.654 1.00 0.00 O ATOM 988 OE2 GLU A3298 -0.352 2.739 -13.286 1.00 0.00 O ATOM 0 H GLU A3298 -0.104 2.983 -8.640 1.00 0.00 H new ATOM 0 HA GLU A3298 -2.863 3.719 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -2.525 3.867 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -1.488 4.885 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A3298 0.416 3.509 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A3298 -0.550 2.139 -10.908 1.00 0.00 H new ATOM 995 N SER A3299 -2.088 0.689 -9.558 1.00 0.00 N ATOM 996 CA SER A3299 -2.656 -0.611 -9.887 1.00 0.00 C ATOM 997 C SER A3299 -3.465 -1.131 -8.698 1.00 0.00 C ATOM 998 O SER A3299 -4.531 -1.725 -8.846 1.00 0.00 O ATOM 999 CB SER A3299 -1.521 -1.572 -10.273 1.00 0.00 C ATOM 1000 OG SER A3299 -2.028 -2.784 -10.799 1.00 0.00 O ATOM 0 H SER A3299 -1.071 0.692 -9.484 1.00 0.00 H new ATOM 0 HA SER A3299 -3.334 -0.529 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A3299 -0.874 -1.096 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.906 -1.782 -9.398 1.00 0.00 H new ATOM 0 HG SER A3299 -1.283 -3.374 -11.037 1.00 0.00 H new ATOM 1006 N VAL A3300 -2.957 -0.911 -7.496 1.00 0.00 N ATOM 1007 CA VAL A3300 -3.557 -1.340 -6.250 1.00 0.00 C ATOM 1008 C VAL A3300 -4.803 -0.504 -5.998 1.00 0.00 C ATOM 1009 O VAL A3300 -5.873 -1.036 -5.707 1.00 0.00 O ATOM 1010 CB VAL A3300 -2.463 -1.210 -5.181 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -2.987 -1.328 -3.756 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -1.403 -2.294 -5.420 1.00 0.00 C ATOM 0 H VAL A3300 -2.080 -0.408 -7.360 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.900 -2.375 -6.252 1.00 0.00 H new ATOM 0 HB VAL A3300 -2.041 -0.210 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -2.159 -1.227 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -3.718 -0.541 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -3.459 -2.301 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -0.621 -2.211 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -1.867 -3.278 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -0.967 -2.164 -6.411 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.703 0.818 -6.123 1.00 0.00 N ATOM 1023 CA GLN A3301 -5.863 1.664 -5.901 1.00 0.00 C ATOM 1024 C GLN A3301 -6.933 1.402 -6.961 1.00 0.00 C ATOM 1025 O GLN A3301 -8.114 1.535 -6.655 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.471 3.121 -5.684 1.00 0.00 C ATOM 1027 CG GLN A3301 -5.146 3.929 -6.939 1.00 0.00 C ATOM 1028 CD GLN A3301 -6.250 4.934 -7.286 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -7.471 4.464 -7.473 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -6.030 6.145 -7.312 1.00 0.00 N flip ATOM 0 H GLN A3301 -3.847 1.314 -6.372 1.00 0.00 H new ATOM 0 HA GLN A3301 -6.339 1.393 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -6.285 3.619 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.602 3.147 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -4.206 4.461 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -5.000 3.249 -7.778 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -5.083 6.495 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -6.795 6.799 -7.479 1.00 0.00 H new ATOM 1039 N LYS A3302 -6.547 1.027 -8.185 1.00 0.00 N ATOM 1040 CA LYS A3302 -7.465 0.696 -9.278 1.00 0.00 C ATOM 1041 C LYS A3302 -8.331 -0.497 -8.865 1.00 0.00 C ATOM 1042 O LYS A3302 -9.476 -0.604 -9.315 1.00 0.00 O ATOM 1043 CB LYS A3302 -6.688 0.361 -10.563 1.00 0.00 C ATOM 1044 CG LYS A3302 -6.442 1.591 -11.452 1.00 0.00 C ATOM 1045 CD LYS A3302 -5.298 1.394 -12.461 1.00 0.00 C ATOM 1046 CE LYS A3302 -5.378 0.063 -13.220 1.00 0.00 C ATOM 1047 NZ LYS A3302 -4.353 -0.028 -14.280 1.00 0.00 N ATOM 0 H LYS A3302 -5.565 0.944 -8.448 1.00 0.00 H new ATOM 0 HA LYS A3302 -8.099 1.560 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -5.730 -0.085 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -7.241 -0.387 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -7.358 1.828 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -6.215 2.449 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -5.311 2.214 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -4.345 1.447 -11.934 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -5.251 -0.763 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -6.368 -0.044 -13.662 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -4.440 -0.941 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -4.490 0.745 -14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -3.407 0.048 -13.855 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.814 -1.384 -8.011 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.560 -2.557 -7.543 1.00 0.00 C ATOM 1063 C GLU A3303 -9.638 -2.109 -6.553 1.00 0.00 C ATOM 1064 O GLU A3303 -10.756 -2.615 -6.576 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.600 -3.659 -7.015 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.610 -3.902 -5.495 1.00 0.00 C ATOM 1067 CD GLU A3303 -6.538 -4.878 -4.996 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.332 -4.582 -5.141 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -6.897 -5.879 -4.317 1.00 0.00 O ATOM 0 H GLU A3303 -6.872 -1.311 -7.626 1.00 0.00 H new ATOM 0 HA GLU A3303 -9.084 -3.033 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -7.849 -4.596 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.584 -3.399 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.477 -2.947 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.590 -4.282 -5.208 1.00 0.00 H new ATOM 1076 N LEU A3304 -9.321 -1.115 -5.727 1.00 0.00 N ATOM 1077 CA LEU A3304 -10.168 -0.550 -4.688 1.00 0.00 C ATOM 1078 C LEU A3304 -11.224 0.456 -5.137 1.00 0.00 C ATOM 1079 O LEU A3304 -12.299 0.512 -4.550 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.249 0.147 -3.688 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.215 -0.809 -3.067 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.243 -0.005 -2.247 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.799 -1.923 -2.214 1.00 0.00 C ATOM 0 H LEU A3304 -8.411 -0.657 -5.771 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.735 -1.387 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.729 0.964 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.851 0.590 -2.895 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.728 -1.311 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.505 -0.671 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -6.739 0.719 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -7.780 0.521 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.992 -2.542 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.360 -1.491 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -9.464 -2.536 -2.822 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.944 1.280 -6.139 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.889 2.291 -6.616 1.00 0.00 C ATOM 1097 C GLU A3305 -13.181 1.716 -7.185 1.00 0.00 C ATOM 1098 O GLU A3305 -14.177 2.432 -7.246 1.00 0.00 O ATOM 1099 CB GLU A3305 -11.206 3.245 -7.592 1.00 0.00 C ATOM 1100 CG GLU A3305 -10.625 2.490 -8.786 1.00 0.00 C ATOM 1101 CD GLU A3305 -9.899 3.418 -9.767 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -9.723 3.046 -10.948 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -9.469 4.524 -9.368 1.00 0.00 O ATOM 0 H GLU A3305 -10.059 1.269 -6.645 1.00 0.00 H new ATOM 0 HA GLU A3305 -12.203 2.857 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -11.924 3.987 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -10.411 3.787 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -9.931 1.729 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -11.427 1.969 -9.309 1.00 0.00 H new ATOM 1110 N ASN A3306 -13.175 0.447 -7.590 1.00 0.00 N ATOM 1111 CA ASN A3306 -14.355 -0.220 -8.128 1.00 0.00 C ATOM 1112 C ASN A3306 -14.921 -1.196 -7.094 1.00 0.00 C ATOM 1113 O ASN A3306 -15.828 -1.960 -7.424 1.00 0.00 O ATOM 1114 CB ASN A3306 -14.040 -0.914 -9.465 1.00 0.00 C ATOM 1115 CG ASN A3306 -13.314 -2.231 -9.303 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -13.900 -3.311 -9.308 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -12.003 -2.173 -9.181 1.00 0.00 N ATOM 0 H ASN A3306 -12.347 -0.148 -7.553 1.00 0.00 H new ATOM 0 HA ASN A3306 -15.119 0.529 -8.337 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -14.971 -1.085 -10.005 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -13.434 -0.247 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.461 -3.032 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -11.531 -1.269 -9.179 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.385 -1.217 -5.865 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.849 -2.128 -4.826 1.00 0.00 C ATOM 1126 C LEU A3307 -15.921 -1.462 -3.965 1.00 0.00 C ATOM 1127 O LEU A3307 -15.895 -0.250 -3.783 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.624 -2.514 -3.982 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.279 -3.996 -3.788 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -13.946 -4.979 -4.748 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.766 -4.205 -3.722 1.00 0.00 C ATOM 0 H LEU A3307 -13.624 -0.605 -5.571 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.303 -3.017 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.754 -2.032 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.758 -2.077 -2.992 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.723 -4.247 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.625 -5.993 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.029 -4.909 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -13.661 -4.738 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.551 -5.265 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.310 -3.860 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -11.357 -3.640 -2.885 1.00 0.00 H new ATOM 1143 N SER A3308 -16.848 -2.250 -3.422 1.00 0.00 N ATOM 1144 CA SER A3308 -17.947 -1.799 -2.568 1.00 0.00 C ATOM 1145 C SER A3308 -17.473 -1.554 -1.135 1.00 0.00 C ATOM 1146 O SER A3308 -16.386 -1.991 -0.761 1.00 0.00 O ATOM 1147 CB SER A3308 -19.021 -2.888 -2.548 1.00 0.00 C ATOM 1148 OG SER A3308 -19.537 -3.126 -3.839 1.00 0.00 O ATOM 0 H SER A3308 -16.855 -3.259 -3.570 1.00 0.00 H new ATOM 0 HA SER A3308 -18.338 -0.863 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A3308 -18.599 -3.810 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A3308 -19.830 -2.591 -1.880 1.00 0.00 H new ATOM 0 HG SER A3308 -20.220 -3.828 -3.794 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.289 -0.899 -0.300 1.00 0.00 N ATOM 1155 CA GLU A3309 -17.943 -0.637 1.083 1.00 0.00 C ATOM 1156 C GLU A3309 -17.731 -1.973 1.738 1.00 0.00 C ATOM 1157 O GLU A3309 -16.668 -2.173 2.269 1.00 0.00 O ATOM 1158 CB GLU A3309 -19.077 0.109 1.828 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.784 1.592 2.045 1.00 0.00 C ATOM 1160 CD GLU A3309 -20.001 2.431 2.462 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -20.032 2.913 3.619 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.943 2.620 1.661 1.00 0.00 O ATOM 0 H GLU A3309 -19.204 -0.540 -0.573 1.00 0.00 H new ATOM 0 HA GLU A3309 -17.054 -0.007 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -20.003 0.008 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -19.242 -0.367 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -18.014 1.688 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -18.372 2.006 1.124 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.647 -2.919 1.615 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.551 -4.232 2.239 1.00 0.00 C ATOM 1171 C GLU A3310 -17.222 -4.927 1.932 1.00 0.00 C ATOM 1172 O GLU A3310 -16.883 -5.896 2.597 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.746 -5.072 1.755 1.00 0.00 C ATOM 1174 CG GLU A3310 -19.602 -5.338 0.248 1.00 0.00 C ATOM 1175 CD GLU A3310 -20.821 -5.904 -0.463 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -21.755 -6.376 0.217 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -20.842 -5.888 -1.720 1.00 0.00 O ATOM 0 H GLU A3310 -19.498 -2.795 1.067 1.00 0.00 H new ATOM 0 HA GLU A3310 -18.580 -4.119 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.787 -6.015 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.680 -4.547 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -19.328 -4.402 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -18.771 -6.028 0.102 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.605 -4.637 0.787 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.342 -5.204 0.418 1.00 0.00 C ATOM 1186 C GLU A3311 -14.190 -4.456 1.099 1.00 0.00 C ATOM 1187 O GLU A3311 -13.330 -5.073 1.714 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.259 -5.135 -1.099 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.334 -5.950 -1.826 1.00 0.00 C ATOM 1190 CD GLU A3311 -15.794 -7.346 -2.139 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.716 -8.193 -1.215 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -15.360 -7.567 -3.291 1.00 0.00 O ATOM 0 H GLU A3311 -16.986 -3.993 0.093 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.258 -6.240 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.338 -4.093 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.277 -5.488 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.228 -6.025 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.625 -5.446 -2.748 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.169 -3.120 0.984 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.127 -2.242 1.527 1.00 0.00 C ATOM 1201 C LEU A3312 -13.224 -2.047 3.035 1.00 0.00 C ATOM 1202 O LEU A3312 -12.259 -2.232 3.774 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.204 -0.839 0.895 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.383 -0.785 -0.628 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -14.183 0.460 -1.000 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -12.041 -0.860 -1.348 1.00 0.00 C ATOM 0 H LEU A3312 -14.901 -2.606 0.494 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.189 -2.743 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -14.033 -0.302 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.293 -0.299 1.151 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.947 -1.658 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -14.311 0.500 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -15.161 0.421 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.649 1.349 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -12.203 -0.819 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.417 -0.020 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.542 -1.794 -1.091 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.408 -1.637 3.481 1.00 0.00 N ATOM 1219 CA LEU A3313 -14.811 -1.382 4.846 1.00 0.00 C ATOM 1220 C LEU A3313 -14.501 -2.647 5.616 1.00 0.00 C ATOM 1221 O LEU A3313 -13.918 -2.555 6.691 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.312 -0.974 4.879 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.955 -0.762 6.270 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.410 -2.067 6.928 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.119 0.036 7.274 1.00 0.00 C ATOM 0 H LEU A3313 -15.174 -1.461 2.831 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.277 -0.550 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.424 -0.051 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -16.883 -1.742 4.356 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.823 -0.150 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.852 -1.849 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.150 -2.555 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.552 -2.727 7.059 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.665 0.124 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.174 -0.478 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.922 1.031 6.874 1.00 0.00 H new ATOM 1237 N ALA A3314 -14.767 -3.821 5.047 1.00 0.00 N ATOM 1238 CA ALA A3314 -14.494 -5.040 5.779 1.00 0.00 C ATOM 1239 C ALA A3314 -12.996 -5.261 6.028 1.00 0.00 C ATOM 1240 O ALA A3314 -12.627 -5.876 7.023 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.067 -6.226 5.010 1.00 0.00 C ATOM 0 H ALA A3314 -15.158 -3.947 4.113 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.969 -4.948 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -14.864 -7.147 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.144 -6.101 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -14.603 -6.279 4.025 1.00 0.00 H new ATOM 1247 N MET A3315 -12.112 -4.741 5.173 1.00 0.00 N ATOM 1248 CA MET A3315 -10.663 -4.930 5.299 1.00 0.00 C ATOM 1249 C MET A3315 -10.097 -4.022 6.371 1.00 0.00 C ATOM 1250 O MET A3315 -9.421 -4.469 7.295 1.00 0.00 O ATOM 1251 CB MET A3315 -9.951 -4.630 3.969 1.00 0.00 C ATOM 1252 CG MET A3315 -10.608 -5.345 2.795 1.00 0.00 C ATOM 1253 SD MET A3315 -9.663 -6.717 2.081 1.00 0.00 S ATOM 1254 CE MET A3315 -10.992 -7.494 1.120 1.00 0.00 C ATOM 0 H MET A3315 -12.382 -4.174 4.369 1.00 0.00 H new ATOM 0 HA MET A3315 -10.492 -5.971 5.573 1.00 0.00 H new ATOM 0 HB2 MET A3315 -9.958 -3.555 3.789 1.00 0.00 H new ATOM 0 HB3 MET A3315 -8.907 -4.934 4.040 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.576 -5.726 3.121 1.00 0.00 H new ATOM 0 HG3 MET A3315 -10.801 -4.614 2.010 1.00 0.00 H new ATOM 0 HE1 MET A3315 -10.602 -8.369 0.601 1.00 0.00 H new ATOM 0 HE2 MET A3315 -11.796 -7.798 1.790 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.378 -6.782 0.391 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.343 -2.720 6.235 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.879 -1.729 7.199 1.00 0.00 C ATOM 1266 C LEU A3316 -10.492 -1.995 8.572 1.00 0.00 C ATOM 1267 O LEU A3316 -9.824 -1.804 9.589 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.180 -0.307 6.705 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.658 -0.051 6.334 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.482 0.548 7.484 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.769 0.935 5.172 1.00 0.00 C ATOM 0 H LEU A3316 -10.868 -2.325 5.455 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.797 -1.815 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -9.886 0.402 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.560 -0.101 5.833 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.051 -1.034 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.509 0.702 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.472 -0.135 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.050 1.503 7.782 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.820 1.097 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.311 1.883 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.256 0.529 4.300 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.741 -2.466 8.616 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.394 -2.752 9.890 1.00 0.00 C ATOM 1285 C ASN A3317 -11.927 -4.096 10.447 1.00 0.00 C ATOM 1286 O ASN A3317 -11.825 -4.280 11.658 1.00 0.00 O ATOM 1287 CB ASN A3317 -13.916 -2.777 9.701 1.00 0.00 C ATOM 1288 CG ASN A3317 -14.635 -2.342 10.957 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -14.520 -2.939 12.019 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.340 -1.233 10.839 1.00 0.00 N ATOM 0 H ASN A3317 -12.313 -2.655 7.793 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.126 -1.967 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.192 -2.121 8.876 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.234 -3.783 9.428 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.815 -0.842 11.652 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.410 -0.767 9.934 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.513 -4.980 9.542 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.049 -6.322 9.843 1.00 0.00 C ATOM 1299 C GLY A3318 -12.254 -7.155 10.262 1.00 0.00 C ATOM 1300 O GLY A3318 -12.208 -7.823 11.294 1.00 0.00 O ATOM 0 H GLY A3318 -11.493 -4.769 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.566 -6.763 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.306 -6.298 10.641 1.00 0.00 H new