USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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= 0.538 K(o=0.86,f=-0.5) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.326 K(o=0.86,f=0.23) USER MOD Single : A 4 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.44) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0558) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.882 K(o=0.88,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= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.0543 X(o=0.054,f=-0.41) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -25.260 8.584 0.278 1.00 0.00 N ATOM 33 CA ILE A 3 -24.462 7.720 -0.583 1.00 0.00 C ATOM 34 C ILE A 3 -23.771 6.691 0.302 1.00 0.00 C ATOM 35 O ILE A 3 -23.781 6.807 1.527 1.00 0.00 O ATOM 36 CB ILE A 3 -23.482 8.594 -1.409 1.00 0.00 C ATOM 37 CG1 ILE A 3 -23.225 8.054 -2.828 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.160 8.859 -0.672 1.00 0.00 C ATOM 39 CD1 ILE A 3 -24.466 8.150 -3.724 1.00 0.00 C ATOM 0 HA ILE A 3 -25.070 7.177 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 3 -23.992 9.550 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.407 8.612 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -22.905 7.014 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.513 9.475 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.363 9.379 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.665 7.911 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -24.232 7.756 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -25.277 7.569 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -24.772 9.193 -3.811 1.00 0.00 H new ATOM 51 N ASN A 4 -23.151 5.717 -0.349 1.00 0.00 N ATOM 52 CA ASN A 4 -22.412 4.610 0.238 1.00 0.00 C ATOM 53 C ASN A 4 -21.242 4.299 -0.690 1.00 0.00 C ATOM 54 O ASN A 4 -20.098 4.354 -0.263 1.00 0.00 O ATOM 55 CB ASN A 4 -23.340 3.407 0.479 1.00 0.00 C ATOM 56 CG ASN A 4 -24.071 2.987 -0.782 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.028 3.627 -1.214 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.565 2.011 -1.496 1.00 0.00 N ATOM 0 H ASN A 4 -23.151 5.677 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.017 4.868 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.754 2.568 0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.067 3.659 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -23.965 1.785 -2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.771 1.478 -1.141 1.00 0.00 H new ATOM 65 N GLU A 5 -21.500 4.160 -1.990 1.00 0.00 N ATOM 66 CA GLU A 5 -20.515 3.847 -3.027 1.00 0.00 C ATOM 67 C GLU A 5 -19.397 4.883 -3.101 1.00 0.00 C ATOM 68 O GLU A 5 -18.222 4.561 -3.251 1.00 0.00 O ATOM 69 CB GLU A 5 -21.212 3.798 -4.385 1.00 0.00 C ATOM 70 CG GLU A 5 -22.383 2.815 -4.416 1.00 0.00 C ATOM 71 CD GLU A 5 -22.864 2.614 -5.848 1.00 0.00 C ATOM 72 OE1 GLU A 5 -22.050 2.136 -6.666 1.00 0.00 O ATOM 73 OE2 GLU A 5 -24.007 3.003 -6.180 1.00 0.00 O ATOM 0 H GLU A 5 -22.442 4.267 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.072 2.885 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.574 4.795 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.488 3.517 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.077 1.860 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.200 3.191 -3.800 1.00 0.00 H new ATOM 80 N GLN A 6 -19.777 6.152 -2.992 1.00 0.00 N ATOM 81 CA GLN A 6 -18.812 7.242 -3.040 1.00 0.00 C ATOM 82 C GLN A 6 -18.076 7.320 -1.707 1.00 0.00 C ATOM 83 O GLN A 6 -16.962 7.841 -1.657 1.00 0.00 O ATOM 84 CB GLN A 6 -19.454 8.556 -3.489 1.00 0.00 C ATOM 85 CG GLN A 6 -20.016 8.364 -4.907 1.00 0.00 C ATOM 86 CD GLN A 6 -20.611 9.624 -5.518 1.00 0.00 C ATOM 87 OE1 GLN A 6 -19.949 10.654 -5.613 1.00 0.00 O ATOM 88 NE2 GLN A 6 -21.835 9.549 -6.009 1.00 0.00 N ATOM 0 H GLN A 6 -20.745 6.449 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 6 -18.064 7.040 -3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.250 8.843 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.718 9.360 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -19.219 8.001 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -20.783 7.590 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.368 8.684 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.247 10.356 -6.478 1.00 0.00 H new ATOM 97 N THR A 7 -18.698 6.879 -0.609 1.00 0.00 N ATOM 98 CA THR A 7 -18.033 6.893 0.681 1.00 0.00 C ATOM 99 C THR A 7 -16.884 5.889 0.698 1.00 0.00 C ATOM 100 O THR A 7 -15.836 6.235 1.231 1.00 0.00 O ATOM 101 CB THR A 7 -19.002 6.616 1.824 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.053 7.571 1.771 1.00 0.00 O ATOM 103 CG2 THR A 7 -18.251 6.721 3.152 1.00 0.00 C ATOM 0 H THR A 7 -19.650 6.513 -0.595 1.00 0.00 H new ATOM 0 HA THR A 7 -17.631 7.895 0.831 1.00 0.00 H new ATOM 0 HB THR A 7 -19.423 5.614 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 7 -20.685 7.403 2.501 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.938 6.524 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 7 -17.442 5.990 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.837 7.724 3.257 1.00 0.00 H new ATOM 111 N LEU A 8 -16.990 4.739 0.022 1.00 0.00 N ATOM 112 CA LEU A 8 -15.951 3.708 -0.025 1.00 0.00 C ATOM 113 C LEU A 8 -14.639 4.372 -0.459 1.00 0.00 C ATOM 114 O LEU A 8 -13.581 3.898 -0.079 1.00 0.00 O ATOM 115 CB LEU A 8 -16.299 2.584 -1.017 1.00 0.00 C ATOM 116 CG LEU A 8 -17.779 2.158 -1.114 1.00 0.00 C ATOM 117 CD1 LEU A 8 -17.993 1.089 -2.186 1.00 0.00 C ATOM 118 CD2 LEU A 8 -18.366 1.692 0.214 1.00 0.00 C ATOM 0 H LEU A 8 -17.820 4.496 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.863 3.259 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.972 2.897 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.712 1.705 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.317 3.061 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.048 0.816 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.685 1.480 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.399 0.208 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.409 1.408 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.803 0.833 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.307 2.501 0.942 1.00 0.00 H new ATOM 130 N ASP A 9 -14.674 5.458 -1.245 1.00 0.00 N ATOM 131 CA ASP A 9 -13.491 6.188 -1.707 1.00 0.00 C ATOM 132 C ASP A 9 -12.567 6.578 -0.544 1.00 0.00 C ATOM 133 O ASP A 9 -11.346 6.434 -0.661 1.00 0.00 O ATOM 134 CB ASP A 9 -13.900 7.467 -2.437 1.00 0.00 C ATOM 135 CG ASP A 9 -12.677 8.220 -2.964 1.00 0.00 C ATOM 136 OD1 ASP A 9 -12.071 9.006 -2.206 1.00 0.00 O ATOM 137 OD2 ASP A 9 -12.366 8.098 -4.170 1.00 0.00 O ATOM 0 H ASP A 9 -15.548 5.860 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.956 5.518 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.563 7.219 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.463 8.111 -1.761 1.00 0.00 H new ATOM 142 N LYS A 10 -13.124 7.064 0.578 1.00 0.00 N ATOM 143 CA LYS A 10 -12.303 7.449 1.739 1.00 0.00 C ATOM 144 C LYS A 10 -11.708 6.196 2.395 1.00 0.00 C ATOM 145 O LYS A 10 -10.710 6.276 3.116 1.00 0.00 O ATOM 146 CB LYS A 10 -13.047 8.379 2.725 1.00 0.00 C ATOM 147 CG LYS A 10 -14.026 7.636 3.632 1.00 0.00 C ATOM 148 CD LYS A 10 -14.957 8.480 4.499 1.00 0.00 C ATOM 149 CE LYS A 10 -14.342 8.890 5.832 1.00 0.00 C ATOM 150 NZ LYS A 10 -15.378 9.448 6.724 1.00 0.00 N ATOM 0 H LYS A 10 -14.127 7.199 0.706 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.471 8.058 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.317 8.903 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.589 9.137 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.642 6.990 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.449 6.986 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.240 9.377 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.872 7.919 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.872 8.027 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.558 9.629 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.945 9.723 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.808 10.283 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.112 8.731 6.895 1.00 0.00 H new ATOM 164 N LEU A 11 -12.397 5.059 2.276 1.00 0.00 N ATOM 165 CA LEU A 11 -11.975 3.780 2.816 1.00 0.00 C ATOM 166 C LEU A 11 -10.869 3.169 1.959 1.00 0.00 C ATOM 167 O LEU A 11 -9.800 2.857 2.463 1.00 0.00 O ATOM 168 CB LEU A 11 -13.158 2.808 2.960 1.00 0.00 C ATOM 169 CG LEU A 11 -14.168 3.077 4.080 1.00 0.00 C ATOM 170 CD1 LEU A 11 -13.548 3.421 5.434 1.00 0.00 C ATOM 171 CD2 LEU A 11 -15.179 4.163 3.720 1.00 0.00 C ATOM 0 H LEU A 11 -13.290 5.009 1.785 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.576 3.959 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.700 2.797 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.753 1.807 3.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.676 2.118 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.339 3.595 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.922 2.594 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.940 4.320 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.868 4.309 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.654 5.096 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.738 3.860 2.835 1.00 0.00 H new ATOM 183 N ARG A 12 -11.074 3.001 0.654 1.00 0.00 N ATOM 184 CA ARG A 12 -10.077 2.411 -0.246 1.00 0.00 C ATOM 185 C ARG A 12 -8.771 3.172 -0.202 1.00 0.00 C ATOM 186 O ARG A 12 -7.718 2.542 -0.163 1.00 0.00 O ATOM 187 CB ARG A 12 -10.618 2.235 -1.671 1.00 0.00 C ATOM 188 CG ARG A 12 -11.448 3.407 -2.204 1.00 0.00 C ATOM 189 CD ARG A 12 -11.110 3.880 -3.614 1.00 0.00 C ATOM 190 NE ARG A 12 -10.441 5.195 -3.656 1.00 0.00 N ATOM 191 CZ ARG A 12 -9.936 5.757 -4.767 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.990 5.106 -5.928 1.00 0.00 N ATOM 193 NH2 ARG A 12 -9.372 6.955 -4.710 1.00 0.00 N ATOM 0 H ARG A 12 -11.939 3.271 0.186 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.863 1.406 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.776 2.071 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.230 1.334 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.500 3.122 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.331 4.249 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.467 3.140 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.028 3.931 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.356 5.713 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.415 4.180 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.606 5.534 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.321 7.453 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.989 7.379 -5.555 1.00 0.00 H new ATOM 207 N GLN A 13 -8.823 4.501 -0.162 1.00 0.00 N ATOM 208 CA GLN A 13 -7.619 5.311 -0.092 1.00 0.00 C ATOM 209 C GLN A 13 -6.874 5.053 1.238 1.00 0.00 C ATOM 210 O GLN A 13 -5.650 5.103 1.290 1.00 0.00 O ATOM 211 CB GLN A 13 -7.969 6.774 -0.382 1.00 0.00 C ATOM 212 CG GLN A 13 -8.757 7.437 0.747 1.00 0.00 C ATOM 213 CD GLN A 13 -7.867 8.010 1.845 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.822 8.594 1.576 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.231 7.807 3.099 1.00 0.00 N ATOM 0 H GLN A 13 -9.691 5.037 -0.177 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.905 5.025 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.050 7.334 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.550 6.827 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.371 8.236 0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.438 6.706 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.103 7.320 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.640 8.138 3.862 1.00 0.00 H new ATOM 224 N ALA A 14 -7.589 4.746 2.326 1.00 0.00 N ATOM 225 CA ALA A 14 -6.991 4.461 3.624 1.00 0.00 C ATOM 226 C ALA A 14 -6.284 3.103 3.551 1.00 0.00 C ATOM 227 O ALA A 14 -5.153 2.959 4.014 1.00 0.00 O ATOM 228 CB ALA A 14 -8.084 4.477 4.699 1.00 0.00 C ATOM 0 H ALA A 14 -8.607 4.689 2.325 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.253 5.219 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.641 4.264 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.557 5.459 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.833 3.719 4.468 1.00 0.00 H new ATOM 234 N VAL A 15 -6.942 2.104 2.955 1.00 0.00 N ATOM 235 CA VAL A 15 -6.385 0.765 2.796 1.00 0.00 C ATOM 236 C VAL A 15 -5.137 0.862 1.897 1.00 0.00 C ATOM 237 O VAL A 15 -4.050 0.421 2.276 1.00 0.00 O ATOM 238 CB VAL A 15 -7.474 -0.205 2.276 1.00 0.00 C ATOM 239 CG1 VAL A 15 -6.943 -1.629 2.058 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.688 -0.273 3.219 1.00 0.00 C ATOM 0 H VAL A 15 -7.880 2.206 2.569 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.061 0.348 3.750 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.784 0.206 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.749 -2.266 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.137 -1.608 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.566 -2.025 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.426 -0.966 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.367 -0.619 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.133 0.718 3.311 1.00 0.00 H new ATOM 250 N LEU A 16 -5.243 1.492 0.720 1.00 0.00 N ATOM 251 CA LEU A 16 -4.121 1.628 -0.213 1.00 0.00 C ATOM 252 C LEU A 16 -2.949 2.391 0.392 1.00 0.00 C ATOM 253 O LEU A 16 -1.816 2.038 0.081 1.00 0.00 O ATOM 254 CB LEU A 16 -4.531 2.169 -1.598 1.00 0.00 C ATOM 255 CG LEU A 16 -4.737 3.684 -1.734 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.460 4.483 -2.000 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.739 3.968 -2.865 1.00 0.00 C ATOM 0 H LEU A 16 -6.108 1.920 0.390 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.770 0.612 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.769 1.867 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.458 1.676 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.111 4.014 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.704 5.542 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.760 4.334 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.005 4.143 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.884 5.044 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.352 3.569 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.692 3.492 -2.635 1.00 0.00 H new ATOM 269 N GLN A 17 -3.172 3.371 1.279 1.00 0.00 N ATOM 270 CA GLN A 17 -2.075 4.117 1.891 1.00 0.00 C ATOM 271 C GLN A 17 -1.095 3.156 2.560 1.00 0.00 C ATOM 272 O GLN A 17 0.117 3.282 2.355 1.00 0.00 O ATOM 273 CB GLN A 17 -2.588 5.152 2.899 1.00 0.00 C ATOM 274 CG GLN A 17 -2.812 6.520 2.255 1.00 0.00 C ATOM 275 CD GLN A 17 -3.257 7.538 3.294 1.00 0.00 C ATOM 276 OE1 GLN A 17 -2.577 7.773 4.294 1.00 0.00 O ATOM 277 NE2 GLN A 17 -4.400 8.163 3.096 1.00 0.00 N ATOM 0 H GLN A 17 -4.101 3.661 1.585 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.557 4.660 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.523 4.800 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.872 5.249 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.892 6.858 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.566 6.440 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.955 7.960 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.730 8.849 3.774 1.00 0.00 H new ATOM 286 N LYS A 18 -1.581 2.181 3.341 1.00 0.00 N ATOM 287 CA LYS A 18 -0.641 1.255 3.961 1.00 0.00 C ATOM 288 C LYS A 18 -0.060 0.298 2.926 1.00 0.00 C ATOM 289 O LYS A 18 1.106 -0.068 3.058 1.00 0.00 O ATOM 290 CB LYS A 18 -1.245 0.530 5.159 1.00 0.00 C ATOM 291 CG LYS A 18 -2.179 -0.619 4.772 1.00 0.00 C ATOM 292 CD LYS A 18 -3.561 -0.525 5.389 1.00 0.00 C ATOM 293 CE LYS A 18 -3.572 -1.140 6.787 1.00 0.00 C ATOM 294 NZ LYS A 18 -2.998 -0.272 7.833 1.00 0.00 N ATOM 0 H LYS A 18 -2.567 2.021 3.548 1.00 0.00 H new ATOM 0 HA LYS A 18 0.186 1.842 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.439 0.139 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.797 1.247 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.278 -0.644 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.722 -1.562 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.870 0.519 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.283 -1.039 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.600 -1.384 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.017 -2.078 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.133 -0.715 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.982 -0.141 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.474 0.652 7.817 1.00 0.00 H new ATOM 308 N LYS A 19 -0.818 -0.068 1.877 1.00 0.00 N ATOM 309 CA LYS A 19 -0.342 -0.990 0.849 1.00 0.00 C ATOM 310 C LYS A 19 0.965 -0.485 0.274 1.00 0.00 C ATOM 311 O LYS A 19 1.818 -1.316 0.000 1.00 0.00 O ATOM 312 CB LYS A 19 -1.331 -1.198 -0.307 1.00 0.00 C ATOM 313 CG LYS A 19 -2.504 -2.097 0.092 1.00 0.00 C ATOM 314 CD LYS A 19 -3.240 -2.592 -1.158 1.00 0.00 C ATOM 315 CE LYS A 19 -4.326 -3.607 -0.804 1.00 0.00 C ATOM 316 NZ LYS A 19 -3.792 -4.947 -0.503 1.00 0.00 N ATOM 0 H LYS A 19 -1.769 0.268 1.725 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.218 -1.952 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.712 -0.231 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.808 -1.640 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.140 -2.947 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.192 -1.546 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.688 -1.745 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.526 -3.046 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.886 -3.244 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.029 -3.681 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.576 -5.589 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.280 -5.311 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.142 -4.888 0.307 1.00 0.00 H new ATOM 330 N ILE A 20 1.160 0.831 0.148 1.00 0.00 N ATOM 331 CA ILE A 20 2.391 1.405 -0.387 1.00 0.00 C ATOM 332 C ILE A 20 3.584 0.907 0.439 1.00 0.00 C ATOM 333 O ILE A 20 4.560 0.424 -0.130 1.00 0.00 O ATOM 334 CB ILE A 20 2.322 2.947 -0.446 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.973 3.507 -0.939 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.450 3.482 -1.336 1.00 0.00 C ATOM 337 CD1 ILE A 20 0.463 2.936 -2.267 1.00 0.00 C ATOM 0 H ILE A 20 0.465 1.527 0.416 1.00 0.00 H new ATOM 0 HA ILE A 20 2.522 1.072 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 20 2.435 3.288 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.221 3.321 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.065 4.588 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.398 4.570 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.413 3.179 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.342 3.077 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.491 3.398 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.187 3.145 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.330 1.858 -2.173 1.00 0.00 H new ATOM 349 N LYS A 21 3.496 0.984 1.772 1.00 0.00 N ATOM 350 CA LYS A 21 4.541 0.534 2.692 1.00 0.00 C ATOM 351 C LYS A 21 4.687 -0.985 2.648 1.00 0.00 C ATOM 352 O LYS A 21 5.771 -1.508 2.886 1.00 0.00 O ATOM 353 CB LYS A 21 4.154 0.834 4.149 1.00 0.00 C ATOM 354 CG LYS A 21 3.658 2.252 4.454 1.00 0.00 C ATOM 355 CD LYS A 21 3.481 2.438 5.971 1.00 0.00 C ATOM 356 CE LYS A 21 2.266 1.656 6.495 1.00 0.00 C ATOM 357 NZ LYS A 21 2.051 1.794 7.952 1.00 0.00 N ATOM 0 H LYS A 21 2.680 1.369 2.248 1.00 0.00 H new ATOM 0 HA LYS A 21 5.452 1.049 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.376 0.131 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.021 0.634 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.369 2.984 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.711 2.431 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.381 2.104 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.359 3.497 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.373 1.997 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.393 0.601 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.216 1.241 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.887 1.443 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.898 2.795 8.187 1.00 0.00 H new ATOM 371 N GLU A 22 3.607 -1.717 2.376 1.00 0.00 N ATOM 372 CA GLU A 22 3.669 -3.168 2.347 1.00 0.00 C ATOM 373 C GLU A 22 4.368 -3.635 1.086 1.00 0.00 C ATOM 374 O GLU A 22 5.316 -4.412 1.185 1.00 0.00 O ATOM 375 CB GLU A 22 2.290 -3.826 2.505 1.00 0.00 C ATOM 376 CG GLU A 22 1.708 -3.491 3.886 1.00 0.00 C ATOM 377 CD GLU A 22 0.500 -4.328 4.318 1.00 0.00 C ATOM 378 OE1 GLU A 22 0.205 -4.311 5.537 1.00 0.00 O ATOM 379 OE2 GLU A 22 -0.145 -4.997 3.480 1.00 0.00 O ATOM 0 H GLU A 22 2.686 -1.327 2.174 1.00 0.00 H new ATOM 0 HA GLU A 22 4.252 -3.487 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.618 -3.475 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.377 -4.906 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.495 -3.611 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.420 -2.440 3.893 1.00 0.00 H new ATOM 386 N ARG A 23 3.975 -3.128 -0.082 1.00 0.00 N ATOM 387 CA ARG A 23 4.579 -3.533 -1.344 1.00 0.00 C ATOM 388 C ARG A 23 6.068 -3.255 -1.401 1.00 0.00 C ATOM 389 O ARG A 23 6.797 -4.079 -1.947 1.00 0.00 O ATOM 390 CB ARG A 23 3.796 -2.972 -2.537 1.00 0.00 C ATOM 391 CG ARG A 23 3.619 -1.450 -2.668 1.00 0.00 C ATOM 392 CD ARG A 23 4.750 -0.698 -3.377 1.00 0.00 C ATOM 393 NE ARG A 23 5.037 -1.264 -4.709 1.00 0.00 N ATOM 394 CZ ARG A 23 6.244 -1.538 -5.222 1.00 0.00 C ATOM 395 NH1 ARG A 23 7.354 -1.378 -4.505 1.00 0.00 N ATOM 396 NH2 ARG A 23 6.376 -1.971 -6.465 1.00 0.00 N ATOM 0 H ARG A 23 3.236 -2.432 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 23 4.504 -4.618 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.284 -3.325 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.801 -3.418 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.690 -1.258 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.502 -1.031 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.479 0.353 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.651 -0.736 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 23 4.232 -1.468 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.296 -1.040 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.262 -1.593 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.551 -2.101 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.303 -2.174 -6.838 1.00 0.00 H new ATOM 410 N ILE A 24 6.517 -2.136 -0.835 1.00 0.00 N ATOM 411 CA ILE A 24 7.923 -1.757 -0.811 1.00 0.00 C ATOM 412 C ILE A 24 8.682 -2.559 0.250 1.00 0.00 C ATOM 413 O ILE A 24 9.742 -3.108 -0.041 1.00 0.00 O ATOM 414 CB ILE A 24 8.053 -0.230 -0.586 1.00 0.00 C ATOM 415 CG1 ILE A 24 9.513 0.253 -0.708 1.00 0.00 C ATOM 416 CG2 ILE A 24 7.453 0.210 0.759 1.00 0.00 C ATOM 417 CD1 ILE A 24 9.673 1.699 -0.228 1.00 0.00 C ATOM 0 H ILE A 24 5.905 -1.461 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 24 8.375 -1.994 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 24 7.476 0.242 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.162 -0.399 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.836 0.176 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.567 1.288 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.394 -0.048 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.972 -0.298 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.715 2.003 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.044 2.354 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.375 1.770 0.818 1.00 0.00 H new ATOM 429 N GLN A 25 8.154 -2.677 1.472 1.00 0.00 N ATOM 430 CA GLN A 25 8.836 -3.382 2.546 1.00 0.00 C ATOM 431 C GLN A 25 8.880 -4.890 2.328 1.00 0.00 C ATOM 432 O GLN A 25 9.930 -5.500 2.532 1.00 0.00 O ATOM 433 CB GLN A 25 8.199 -3.001 3.888 1.00 0.00 C ATOM 434 CG GLN A 25 9.048 -3.464 5.067 1.00 0.00 C ATOM 435 CD GLN A 25 8.626 -2.741 6.339 1.00 0.00 C ATOM 436 OE1 GLN A 25 7.496 -2.873 6.803 1.00 0.00 O ATOM 437 NE2 GLN A 25 9.488 -1.921 6.908 1.00 0.00 N ATOM 0 H GLN A 25 7.249 -2.288 1.737 1.00 0.00 H new ATOM 0 HA GLN A 25 9.880 -3.069 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.069 -1.920 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.206 -3.445 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.941 -4.541 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.101 -3.271 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.425 -1.815 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.218 -1.393 7.738 1.00 0.00 H new ATOM 446 N ASN A 26 7.771 -5.508 1.932 1.00 0.00 N ATOM 447 CA ASN A 26 7.735 -6.948 1.707 1.00 0.00 C ATOM 448 C ASN A 26 8.445 -7.242 0.391 1.00 0.00 C ATOM 449 O ASN A 26 9.374 -8.043 0.360 1.00 0.00 O ATOM 450 CB ASN A 26 6.278 -7.461 1.672 1.00 0.00 C ATOM 451 CG ASN A 26 5.612 -7.394 3.035 1.00 0.00 C ATOM 452 OD1 ASN A 26 5.588 -8.369 3.784 1.00 0.00 O ATOM 453 ND2 ASN A 26 5.085 -6.236 3.383 1.00 0.00 N ATOM 0 H ASN A 26 6.885 -5.033 1.760 1.00 0.00 H new ATOM 0 HA ASN A 26 8.240 -7.464 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.703 -6.869 0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.266 -8.490 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.642 -6.131 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.121 -5.445 2.739 1.00 0.00 H new ATOM 460 N SER A 27 8.051 -6.547 -0.685 1.00 0.00 N ATOM 461 CA SER A 27 8.618 -6.712 -2.038 1.00 0.00 C ATOM 462 C SER A 27 8.669 -8.193 -2.464 1.00 0.00 C ATOM 463 O SER A 27 9.523 -8.629 -3.238 1.00 0.00 O ATOM 464 CB SER A 27 9.988 -6.010 -2.088 1.00 0.00 C ATOM 465 OG SER A 27 10.392 -5.605 -3.384 1.00 0.00 O ATOM 0 H SER A 27 7.316 -5.841 -0.643 1.00 0.00 H new ATOM 0 HA SER A 27 7.967 -6.237 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.957 -5.134 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.742 -6.683 -1.679 1.00 0.00 H new ATOM 0 HG SER A 27 11.267 -5.168 -3.332 1.00 0.00 H new ATOM 834 N ILE A3289 4.430 7.999 -3.861 1.00 0.00 N ATOM 835 CA ILE A3289 5.239 8.532 -4.939 1.00 0.00 C ATOM 836 C ILE A3289 4.566 8.143 -6.262 1.00 0.00 C ATOM 837 O ILE A3289 4.623 6.990 -6.694 1.00 0.00 O ATOM 838 CB ILE A3289 6.699 8.055 -4.781 1.00 0.00 C ATOM 839 CG1 ILE A3289 7.251 8.430 -3.381 1.00 0.00 C ATOM 840 CG2 ILE A3289 7.552 8.693 -5.888 1.00 0.00 C ATOM 841 CD1 ILE A3289 8.721 8.084 -3.107 1.00 0.00 C ATOM 0 HA ILE A3289 5.299 9.620 -4.920 1.00 0.00 H new ATOM 0 HB ILE A3289 6.738 6.969 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A3289 7.122 9.503 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A3289 6.638 7.933 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A3289 8.586 8.363 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A3289 7.169 8.391 -6.863 1.00 0.00 H new ATOM 0 HG23 ILE A3289 7.507 9.779 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A3289 8.986 8.396 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.866 7.008 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.357 8.602 -3.825 1.00 0.00 H new ATOM 853 N GLU A3290 3.929 9.107 -6.920 1.00 0.00 N ATOM 854 CA GLU A3290 3.215 8.943 -8.190 1.00 0.00 C ATOM 855 C GLU A3290 4.126 8.550 -9.376 1.00 0.00 C ATOM 856 O GLU A3290 3.659 8.278 -10.478 1.00 0.00 O ATOM 857 CB GLU A3290 2.414 10.225 -8.469 1.00 0.00 C ATOM 858 CG GLU A3290 1.205 9.907 -9.344 1.00 0.00 C ATOM 859 CD GLU A3290 0.603 11.143 -10.001 1.00 0.00 C ATOM 860 OE1 GLU A3290 -0.196 11.866 -9.367 1.00 0.00 O ATOM 861 OE2 GLU A3290 0.877 11.346 -11.207 1.00 0.00 O ATOM 0 H GLU A3290 3.892 10.065 -6.572 1.00 0.00 H new ATOM 0 HA GLU A3290 2.536 8.097 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A3290 2.086 10.670 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A3290 3.049 10.959 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A3290 1.500 9.198 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A3290 0.443 9.417 -8.737 1.00 0.00 H new ATOM 868 N THR A3291 5.439 8.538 -9.185 1.00 0.00 N ATOM 869 CA THR A3291 6.427 8.184 -10.201 1.00 0.00 C ATOM 870 C THR A3291 7.509 7.291 -9.577 1.00 0.00 C ATOM 871 O THR A3291 8.662 7.683 -9.396 1.00 0.00 O ATOM 872 CB THR A3291 6.892 9.462 -10.930 1.00 0.00 C ATOM 873 OG1 THR A3291 7.763 9.164 -12.003 1.00 0.00 O ATOM 874 CG2 THR A3291 7.514 10.534 -10.026 1.00 0.00 C ATOM 0 H THR A3291 5.861 8.782 -8.289 1.00 0.00 H new ATOM 0 HA THR A3291 6.010 7.566 -10.996 1.00 0.00 H new ATOM 0 HB THR A3291 5.971 9.897 -11.317 1.00 0.00 H new ATOM 0 HG1 THR A3291 8.037 9.996 -12.443 1.00 0.00 H new ATOM 0 HG21 THR A3291 7.809 11.392 -10.629 1.00 0.00 H new ATOM 0 HG22 THR A3291 6.785 10.849 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A3291 8.391 10.124 -9.526 1.00 0.00 H new ATOM 882 N PHE A3292 7.114 6.078 -9.175 1.00 0.00 N ATOM 883 CA PHE A3292 8.028 5.111 -8.567 1.00 0.00 C ATOM 884 C PHE A3292 7.467 3.697 -8.672 1.00 0.00 C ATOM 885 O PHE A3292 8.025 2.850 -9.364 1.00 0.00 O ATOM 886 CB PHE A3292 8.248 5.521 -7.108 1.00 0.00 C ATOM 887 CG PHE A3292 9.094 4.615 -6.233 1.00 0.00 C ATOM 888 CD1 PHE A3292 10.134 3.816 -6.753 1.00 0.00 C ATOM 889 CD2 PHE A3292 8.860 4.622 -4.849 1.00 0.00 C ATOM 890 CE1 PHE A3292 10.906 3.025 -5.883 1.00 0.00 C ATOM 891 CE2 PHE A3292 9.622 3.822 -3.986 1.00 0.00 C ATOM 892 CZ PHE A3292 10.649 3.021 -4.503 1.00 0.00 C ATOM 0 H PHE A3292 6.155 5.742 -9.262 1.00 0.00 H new ATOM 0 HA PHE A3292 8.982 5.109 -9.093 1.00 0.00 H new ATOM 0 HB2 PHE A3292 8.705 6.510 -7.105 1.00 0.00 H new ATOM 0 HB3 PHE A3292 7.270 5.620 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A3292 10.336 3.812 -7.814 1.00 0.00 H new ATOM 0 HD2 PHE A3292 8.082 5.252 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A3292 11.704 2.415 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A3292 9.418 3.823 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A3292 11.240 2.403 -3.843 1.00 0.00 H new ATOM 902 N PHE A3293 6.331 3.454 -8.023 1.00 0.00 N ATOM 903 CA PHE A3293 5.622 2.173 -7.989 1.00 0.00 C ATOM 904 C PHE A3293 4.232 2.289 -8.611 1.00 0.00 C ATOM 905 O PHE A3293 3.428 1.365 -8.503 1.00 0.00 O ATOM 906 CB PHE A3293 5.592 1.633 -6.550 1.00 0.00 C ATOM 907 CG PHE A3293 5.497 2.656 -5.427 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.350 2.557 -4.310 1.00 0.00 C ATOM 909 CD2 PHE A3293 4.593 3.733 -5.507 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.331 3.549 -3.313 1.00 0.00 C ATOM 911 CE2 PHE A3293 4.616 4.745 -4.537 1.00 0.00 C ATOM 912 CZ PHE A3293 5.496 4.669 -3.448 1.00 0.00 C ATOM 0 H PHE A3293 5.856 4.176 -7.481 1.00 0.00 H new ATOM 0 HA PHE A3293 6.160 1.449 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A3293 4.744 0.954 -6.461 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.493 1.040 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A3293 7.021 1.716 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A3293 3.881 3.779 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.961 3.449 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE A3293 3.950 5.590 -4.629 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.531 5.465 -2.719 1.00 0.00 H new ATOM 922 N ALA A3294 3.947 3.421 -9.262 1.00 0.00 N ATOM 923 CA ALA A3294 2.680 3.734 -9.896 1.00 0.00 C ATOM 924 C ALA A3294 2.173 2.638 -10.835 1.00 0.00 C ATOM 925 O ALA A3294 0.958 2.477 -10.939 1.00 0.00 O ATOM 926 CB ALA A3294 2.809 5.060 -10.646 1.00 0.00 C ATOM 0 H ALA A3294 4.630 4.172 -9.361 1.00 0.00 H new ATOM 0 HA ALA A3294 1.936 3.811 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A3294 1.860 5.301 -11.125 1.00 0.00 H new ATOM 0 HB2 ALA A3294 3.072 5.851 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A3294 3.587 4.975 -11.405 1.00 0.00 H new ATOM 932 N GLN A3295 3.067 1.891 -11.498 1.00 0.00 N ATOM 933 CA GLN A3295 2.634 0.840 -12.421 1.00 0.00 C ATOM 934 C GLN A3295 1.913 -0.270 -11.656 1.00 0.00 C ATOM 935 O GLN A3295 0.993 -0.895 -12.176 1.00 0.00 O ATOM 936 CB GLN A3295 3.817 0.253 -13.210 1.00 0.00 C ATOM 937 CG GLN A3295 4.649 1.277 -13.994 1.00 0.00 C ATOM 938 CD GLN A3295 3.852 2.119 -14.980 1.00 0.00 C ATOM 939 OE1 GLN A3295 3.347 1.614 -15.979 1.00 0.00 O ATOM 940 NE2 GLN A3295 3.795 3.424 -14.773 1.00 0.00 N ATOM 0 H GLN A3295 4.078 1.994 -11.413 1.00 0.00 H new ATOM 0 HA GLN A3295 1.947 1.292 -13.137 1.00 0.00 H new ATOM 0 HB2 GLN A3295 4.474 -0.270 -12.515 1.00 0.00 H new ATOM 0 HB3 GLN A3295 3.434 -0.492 -13.908 1.00 0.00 H new ATOM 0 HG2 GLN A3295 5.144 1.942 -13.286 1.00 0.00 H new ATOM 0 HG3 GLN A3295 5.433 0.749 -14.537 1.00 0.00 H new ATOM 0 HE21 GLN A3295 4.220 3.827 -13.938 1.00 0.00 H new ATOM 0 HE22 GLN A3295 3.326 4.028 -15.449 1.00 0.00 H new ATOM 949 N ASP A3296 2.424 -0.624 -10.476 1.00 0.00 N ATOM 950 CA ASP A3296 1.818 -1.645 -9.623 1.00 0.00 C ATOM 951 C ASP A3296 0.660 -1.079 -8.821 1.00 0.00 C ATOM 952 O ASP A3296 -0.327 -1.772 -8.577 1.00 0.00 O ATOM 953 CB ASP A3296 2.827 -2.258 -8.640 1.00 0.00 C ATOM 954 CG ASP A3296 4.031 -2.908 -9.301 1.00 0.00 C ATOM 955 OD1 ASP A3296 3.868 -3.709 -10.248 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.177 -2.622 -8.885 1.00 0.00 O ATOM 0 H ASP A3296 3.270 -0.210 -10.085 1.00 0.00 H new ATOM 0 HA ASP A3296 1.461 -2.422 -10.299 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.176 -1.478 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.316 -3.003 -8.031 1.00 0.00 H new ATOM 961 N ILE A3297 0.799 0.177 -8.404 1.00 0.00 N ATOM 962 CA ILE A3297 -0.164 0.905 -7.605 1.00 0.00 C ATOM 963 C ILE A3297 -1.521 0.947 -8.283 1.00 0.00 C ATOM 964 O ILE A3297 -2.522 0.719 -7.610 1.00 0.00 O ATOM 965 CB ILE A3297 0.399 2.299 -7.231 1.00 0.00 C ATOM 966 CG1 ILE A3297 0.730 2.386 -5.728 1.00 0.00 C ATOM 967 CG2 ILE A3297 -0.494 3.472 -7.667 1.00 0.00 C ATOM 968 CD1 ILE A3297 1.813 1.382 -5.303 1.00 0.00 C ATOM 0 H ILE A3297 1.624 0.733 -8.627 1.00 0.00 H new ATOM 0 HA ILE A3297 -0.331 0.378 -6.665 1.00 0.00 H new ATOM 0 HB ILE A3297 1.323 2.401 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.063 3.396 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A3297 -0.176 2.205 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A3297 -0.031 4.412 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -0.615 3.454 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -1.471 3.382 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.007 1.486 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.472 0.368 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A3297 2.730 1.578 -5.859 1.00 0.00 H new ATOM 980 N GLU A3298 -1.561 1.245 -9.582 1.00 0.00 N ATOM 981 CA GLU A3298 -2.820 1.337 -10.304 1.00 0.00 C ATOM 982 C GLU A3298 -3.539 -0.009 -10.313 1.00 0.00 C ATOM 983 O GLU A3298 -4.758 -0.076 -10.191 1.00 0.00 O ATOM 984 CB GLU A3298 -2.583 1.914 -11.705 1.00 0.00 C ATOM 985 CG GLU A3298 -1.708 1.056 -12.641 1.00 0.00 C ATOM 986 CD GLU A3298 -2.433 0.733 -13.950 1.00 0.00 C ATOM 987 OE1 GLU A3298 -2.733 1.672 -14.721 1.00 0.00 O ATOM 988 OE2 GLU A3298 -2.707 -0.453 -14.243 1.00 0.00 O ATOM 0 H GLU A3298 -0.734 1.426 -10.151 1.00 0.00 H new ATOM 0 HA GLU A3298 -3.487 2.029 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -3.550 2.069 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -2.118 2.894 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A3298 -0.780 1.585 -12.859 1.00 0.00 H new ATOM 0 HG3 GLU A3298 -1.435 0.129 -12.137 1.00 0.00 H new ATOM 995 N SER A3299 -2.769 -1.085 -10.376 1.00 0.00 N ATOM 996 CA SER A3299 -3.257 -2.434 -10.408 1.00 0.00 C ATOM 997 C SER A3299 -3.783 -2.874 -9.046 1.00 0.00 C ATOM 998 O SER A3299 -4.847 -3.484 -8.981 1.00 0.00 O ATOM 999 CB SER A3299 -2.124 -3.311 -10.903 1.00 0.00 C ATOM 1000 OG SER A3299 -1.788 -2.988 -12.238 1.00 0.00 O ATOM 0 H SER A3299 -1.751 -1.028 -10.407 1.00 0.00 H new ATOM 0 HA SER A3299 -4.108 -2.518 -11.083 1.00 0.00 H new ATOM 0 HB2 SER A3299 -1.252 -3.183 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A3299 -2.415 -4.360 -10.840 1.00 0.00 H new ATOM 0 HG SER A3299 -1.054 -3.563 -12.539 1.00 0.00 H new ATOM 1006 N VAL A3300 -3.075 -2.579 -7.955 1.00 0.00 N ATOM 1007 CA VAL A3300 -3.546 -2.980 -6.637 1.00 0.00 C ATOM 1008 C VAL A3300 -4.684 -2.062 -6.169 1.00 0.00 C ATOM 1009 O VAL A3300 -5.645 -2.530 -5.566 1.00 0.00 O ATOM 1010 CB VAL A3300 -2.357 -3.122 -5.669 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.690 -1.800 -5.285 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.795 -3.866 -4.413 1.00 0.00 C ATOM 0 H VAL A3300 -2.189 -2.073 -7.960 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.996 -3.972 -6.673 1.00 0.00 H new ATOM 0 HB VAL A3300 -1.601 -3.690 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -0.864 -1.995 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -1.311 -1.310 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.419 -1.153 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -1.948 -3.962 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.594 -3.311 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -3.157 -4.858 -4.685 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.634 -0.753 -6.442 1.00 0.00 N ATOM 1023 CA GLN A3301 -5.701 0.156 -6.024 1.00 0.00 C ATOM 1024 C GLN A3301 -7.006 -0.172 -6.748 1.00 0.00 C ATOM 1025 O GLN A3301 -8.077 0.063 -6.189 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.279 1.624 -6.103 1.00 0.00 C ATOM 1027 CG GLN A3301 -5.181 2.212 -7.515 1.00 0.00 C ATOM 1028 CD GLN A3301 -6.252 3.257 -7.804 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -7.514 2.886 -7.723 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -5.953 4.413 -8.100 1.00 0.00 N flip ATOM 0 H GLN A3301 -3.870 -0.304 -6.947 1.00 0.00 H new ATOM 0 HA GLN A3301 -5.899 -0.006 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -5.990 2.219 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.309 1.731 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -4.197 2.663 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -5.262 1.406 -8.244 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -4.972 4.687 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -6.686 5.098 -8.286 1.00 0.00 H new ATOM 1039 N LYS A3302 -6.928 -0.688 -7.980 1.00 0.00 N ATOM 1040 CA LYS A3302 -8.087 -1.086 -8.773 1.00 0.00 C ATOM 1041 C LYS A3302 -8.898 -2.140 -8.019 1.00 0.00 C ATOM 1042 O LYS A3302 -10.105 -2.230 -8.214 1.00 0.00 O ATOM 1043 CB LYS A3302 -7.625 -1.706 -10.098 1.00 0.00 C ATOM 1044 CG LYS A3302 -7.684 -0.756 -11.295 1.00 0.00 C ATOM 1045 CD LYS A3302 -6.985 -1.365 -12.519 1.00 0.00 C ATOM 1046 CE LYS A3302 -7.547 -2.749 -12.883 1.00 0.00 C ATOM 1047 NZ LYS A3302 -6.793 -3.386 -13.976 1.00 0.00 N ATOM 0 H LYS A3302 -6.040 -0.842 -8.458 1.00 0.00 H new ATOM 0 HA LYS A3302 -8.696 -0.201 -8.959 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -6.601 -2.061 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -8.242 -2.579 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -8.724 -0.536 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -7.210 0.191 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -7.098 -0.694 -13.370 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -5.917 -1.450 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -7.522 -3.392 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -8.592 -2.649 -13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -7.207 -4.316 -14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -6.838 -2.786 -14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -5.801 -3.506 -13.689 1.00 0.00 H new ATOM 1061 N GLU A3303 -8.256 -2.943 -7.168 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.984 -3.973 -6.429 1.00 0.00 C ATOM 1063 C GLU A3303 -9.796 -3.349 -5.291 1.00 0.00 C ATOM 1064 O GLU A3303 -10.913 -3.767 -4.997 1.00 0.00 O ATOM 1065 CB GLU A3303 -8.051 -5.132 -6.042 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.445 -5.085 -4.639 1.00 0.00 C ATOM 1067 CD GLU A3303 -6.229 -6.015 -4.480 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -6.038 -6.944 -5.300 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -5.436 -5.823 -3.522 1.00 0.00 O ATOM 0 H GLU A3303 -7.255 -2.902 -6.977 1.00 0.00 H new ATOM 0 HA GLU A3303 -9.733 -4.440 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -8.607 -6.064 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -7.235 -5.168 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.145 -4.062 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.206 -5.363 -3.910 1.00 0.00 H new ATOM 1076 N LEU A3304 -9.272 -2.279 -4.700 1.00 0.00 N ATOM 1077 CA LEU A3304 -9.886 -1.578 -3.592 1.00 0.00 C ATOM 1078 C LEU A3304 -11.013 -0.621 -3.962 1.00 0.00 C ATOM 1079 O LEU A3304 -11.945 -0.457 -3.184 1.00 0.00 O ATOM 1080 CB LEU A3304 -8.782 -0.777 -2.901 1.00 0.00 C ATOM 1081 CG LEU A3304 -7.645 -1.640 -2.323 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -6.606 -0.724 -1.692 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.136 -2.662 -1.304 1.00 0.00 C ATOM 0 H LEU A3304 -8.384 -1.870 -4.991 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.348 -2.336 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.360 -0.070 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.224 -0.191 -2.095 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.207 -2.210 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -5.795 -1.324 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -6.208 -0.049 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -7.070 -0.143 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.290 -3.240 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -8.616 -2.145 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -8.853 -3.332 -1.778 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.946 0.046 -5.108 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.957 1.013 -5.537 1.00 0.00 C ATOM 1097 C GLU A3305 -13.354 0.433 -5.747 1.00 0.00 C ATOM 1098 O GLU A3305 -14.308 1.210 -5.845 1.00 0.00 O ATOM 1099 CB GLU A3305 -11.473 1.762 -6.788 1.00 0.00 C ATOM 1100 CG GLU A3305 -11.161 0.779 -7.915 1.00 0.00 C ATOM 1101 CD GLU A3305 -10.840 1.477 -9.235 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -11.607 1.351 -10.213 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -9.805 2.176 -9.319 1.00 0.00 O ATOM 0 H GLU A3305 -10.182 -0.068 -5.774 1.00 0.00 H new ATOM 0 HA GLU A3305 -12.072 1.710 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -12.237 2.468 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -10.583 2.344 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -10.316 0.155 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -12.013 0.115 -8.058 1.00 0.00 H new ATOM 1110 N ASN A3306 -13.482 -0.890 -5.828 1.00 0.00 N ATOM 1111 CA ASN A3306 -14.755 -1.573 -6.019 1.00 0.00 C ATOM 1112 C ASN A3306 -15.161 -2.417 -4.810 1.00 0.00 C ATOM 1113 O ASN A3306 -16.204 -3.073 -4.863 1.00 0.00 O ATOM 1114 CB ASN A3306 -14.708 -2.431 -7.287 1.00 0.00 C ATOM 1115 CG ASN A3306 -13.825 -3.649 -7.108 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -14.224 -4.663 -6.550 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -12.608 -3.609 -7.600 1.00 0.00 N ATOM 0 H ASN A3306 -12.688 -1.527 -5.761 1.00 0.00 H new ATOM 0 HA ASN A3306 -15.519 -0.804 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -15.717 -2.749 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -14.337 -1.832 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.997 -4.422 -7.517 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -12.274 -2.765 -8.065 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.322 -2.467 -3.772 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.601 -3.232 -2.567 1.00 0.00 C ATOM 1126 C LEU A3307 -15.566 -2.432 -1.693 1.00 0.00 C ATOM 1127 O LEU A3307 -15.574 -1.205 -1.748 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.263 -3.509 -1.857 1.00 0.00 C ATOM 1129 CG LEU A3307 -12.845 -4.969 -1.594 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -13.737 -6.042 -2.204 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.384 -5.229 -1.962 1.00 0.00 C ATOM 0 H LEU A3307 -13.429 -1.975 -3.750 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.073 -4.188 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.474 -3.042 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.288 -2.996 -0.896 1.00 0.00 H new ATOM 0 HG LEU A3307 -12.976 -5.065 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.345 -7.027 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -14.748 -5.942 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -13.758 -5.925 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.138 -6.271 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.233 -5.020 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -10.739 -4.581 -1.369 1.00 0.00 H new ATOM 1143 N SER A3308 -16.390 -3.116 -0.899 1.00 0.00 N ATOM 1144 CA SER A3308 -17.355 -2.469 -0.018 1.00 0.00 C ATOM 1145 C SER A3308 -16.669 -1.943 1.247 1.00 0.00 C ATOM 1146 O SER A3308 -15.522 -2.290 1.521 1.00 0.00 O ATOM 1147 CB SER A3308 -18.464 -3.473 0.286 1.00 0.00 C ATOM 1148 OG SER A3308 -19.281 -3.613 -0.865 1.00 0.00 O ATOM 0 H SER A3308 -16.405 -4.135 -0.850 1.00 0.00 H new ATOM 0 HA SER A3308 -17.796 -1.597 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A3308 -18.036 -4.436 0.564 1.00 0.00 H new ATOM 0 HB3 SER A3308 -19.060 -3.132 1.133 1.00 0.00 H new ATOM 0 HG SER A3308 -19.996 -4.257 -0.682 1.00 0.00 H new ATOM 1154 N GLU A3309 -17.348 -1.101 2.036 1.00 0.00 N ATOM 1155 CA GLU A3309 -16.800 -0.539 3.259 1.00 0.00 C ATOM 1156 C GLU A3309 -16.427 -1.689 4.155 1.00 0.00 C ATOM 1157 O GLU A3309 -15.278 -1.790 4.512 1.00 0.00 O ATOM 1158 CB GLU A3309 -17.841 0.341 3.995 1.00 0.00 C ATOM 1159 CG GLU A3309 -17.583 1.841 3.823 1.00 0.00 C ATOM 1160 CD GLU A3309 -18.722 2.769 4.261 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.901 2.352 4.231 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -18.451 3.920 4.686 1.00 0.00 O ATOM 0 H GLU A3309 -18.300 -0.793 1.835 1.00 0.00 H new ATOM 0 HA GLU A3309 -15.941 0.086 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -18.838 0.104 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -17.831 0.095 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -16.688 2.104 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -17.365 2.035 2.773 1.00 0.00 H new ATOM 1169 N GLU A3310 -17.321 -2.632 4.390 1.00 0.00 N ATOM 1170 CA GLU A3310 -17.118 -3.761 5.260 1.00 0.00 C ATOM 1171 C GLU A3310 -15.839 -4.514 4.896 1.00 0.00 C ATOM 1172 O GLU A3310 -15.308 -5.210 5.756 1.00 0.00 O ATOM 1173 CB GLU A3310 -18.391 -4.634 5.298 1.00 0.00 C ATOM 1174 CG GLU A3310 -19.622 -3.798 5.719 1.00 0.00 C ATOM 1175 CD GLU A3310 -20.916 -4.610 5.854 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -21.507 -4.625 6.962 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -21.396 -5.141 4.826 1.00 0.00 O ATOM 0 H GLU A3310 -18.245 -2.626 3.958 1.00 0.00 H new ATOM 0 HA GLU A3310 -16.957 -3.419 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -18.564 -5.074 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -18.250 -5.459 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -19.409 -3.313 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -19.778 -3.006 4.986 1.00 0.00 H new ATOM 1184 N GLU A3311 -15.413 -4.495 3.625 1.00 0.00 N ATOM 1185 CA GLU A3311 -14.197 -5.146 3.197 1.00 0.00 C ATOM 1186 C GLU A3311 -12.968 -4.287 3.516 1.00 0.00 C ATOM 1187 O GLU A3311 -12.014 -4.767 4.117 1.00 0.00 O ATOM 1188 CB GLU A3311 -14.308 -5.361 1.692 1.00 0.00 C ATOM 1189 CG GLU A3311 -15.465 -6.278 1.287 1.00 0.00 C ATOM 1190 CD GLU A3311 -14.965 -7.706 1.076 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -14.433 -8.312 2.029 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -15.103 -8.209 -0.063 1.00 0.00 O ATOM 0 H GLU A3311 -15.914 -4.022 2.873 1.00 0.00 H new ATOM 0 HA GLU A3311 -14.074 -6.093 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -14.434 -4.395 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -13.374 -5.785 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -16.234 -6.266 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -15.927 -5.909 0.371 1.00 0.00 H new ATOM 1199 N LEU A3312 -12.991 -3.010 3.107 1.00 0.00 N ATOM 1200 CA LEU A3312 -11.910 -2.024 3.263 1.00 0.00 C ATOM 1201 C LEU A3312 -11.763 -1.468 4.667 1.00 0.00 C ATOM 1202 O LEU A3312 -10.670 -1.440 5.235 1.00 0.00 O ATOM 1203 CB LEU A3312 -12.149 -0.805 2.356 1.00 0.00 C ATOM 1204 CG LEU A3312 -12.491 -1.135 0.904 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -13.388 -0.041 0.341 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -11.217 -1.388 0.101 1.00 0.00 C ATOM 0 H LEU A3312 -13.805 -2.617 2.635 1.00 0.00 H new ATOM 0 HA LEU A3312 -11.009 -2.579 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -12.960 -0.211 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -11.256 -0.181 2.370 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.058 -2.064 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -13.636 -0.271 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -14.304 0.017 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -12.867 0.916 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -11.478 -1.622 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -10.590 -0.497 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -10.673 -2.226 0.536 1.00 0.00 H new ATOM 1218 N LEU A3313 -12.880 -0.964 5.186 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.056 -0.378 6.496 1.00 0.00 C ATOM 1220 C LEU A3313 -12.568 -1.402 7.490 1.00 0.00 C ATOM 1221 O LEU A3313 -11.820 -1.047 8.393 1.00 0.00 O ATOM 1222 CB LEU A3313 -14.537 0.052 6.688 1.00 0.00 C ATOM 1223 CG LEU A3313 -14.931 0.573 8.091 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -15.194 -0.546 9.104 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -13.980 1.603 8.708 1.00 0.00 C ATOM 0 H LEU A3313 -13.749 -0.958 4.652 1.00 0.00 H new ATOM 0 HA LEU A3313 -12.481 0.537 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -14.763 0.831 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -15.173 -0.801 6.450 1.00 0.00 H new ATOM 0 HG LEU A3313 -15.864 1.096 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -15.465 -0.110 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -16.010 -1.175 8.748 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -14.294 -1.150 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -14.351 1.899 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -12.987 1.165 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -13.924 2.479 8.062 1.00 0.00 H new ATOM 1237 N ALA A3314 -12.867 -2.676 7.268 1.00 0.00 N ATOM 1238 CA ALA A3314 -12.418 -3.693 8.185 1.00 0.00 C ATOM 1239 C ALA A3314 -10.886 -3.783 8.257 1.00 0.00 C ATOM 1240 O ALA A3314 -10.321 -4.053 9.315 1.00 0.00 O ATOM 1241 CB ALA A3314 -12.911 -5.040 7.662 1.00 0.00 C ATOM 0 H ALA A3314 -13.409 -3.017 6.474 1.00 0.00 H new ATOM 0 HA ALA A3314 -12.803 -3.444 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -12.587 -5.833 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -14.000 -5.033 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -12.499 -5.217 6.668 1.00 0.00 H new ATOM 1247 N MET A3315 -10.203 -3.567 7.132 1.00 0.00 N ATOM 1248 CA MET A3315 -8.749 -3.698 7.056 1.00 0.00 C ATOM 1249 C MET A3315 -8.049 -2.556 7.772 1.00 0.00 C ATOM 1250 O MET A3315 -7.274 -2.762 8.705 1.00 0.00 O ATOM 1251 CB MET A3315 -8.307 -3.714 5.584 1.00 0.00 C ATOM 1252 CG MET A3315 -9.117 -4.599 4.653 1.00 0.00 C ATOM 1253 SD MET A3315 -8.231 -5.993 3.901 1.00 0.00 S ATOM 1254 CE MET A3315 -8.016 -7.059 5.353 1.00 0.00 C ATOM 0 H MET A3315 -10.641 -3.297 6.251 1.00 0.00 H new ATOM 0 HA MET A3315 -8.472 -4.632 7.544 1.00 0.00 H new ATOM 0 HB2 MET A3315 -8.342 -2.693 5.204 1.00 0.00 H new ATOM 0 HB3 MET A3315 -7.266 -4.034 5.542 1.00 0.00 H new ATOM 0 HG2 MET A3315 -9.968 -4.993 5.209 1.00 0.00 H new ATOM 0 HG3 MET A3315 -9.520 -3.977 3.853 1.00 0.00 H new ATOM 0 HE1 MET A3315 -7.485 -7.966 5.063 1.00 0.00 H new ATOM 0 HE2 MET A3315 -7.441 -6.529 6.112 1.00 0.00 H new ATOM 0 HE3 MET A3315 -8.993 -7.324 5.758 1.00 0.00 H new ATOM 1264 N LEU A3316 -8.348 -1.319 7.369 1.00 0.00 N ATOM 1265 CA LEU A3316 -7.784 -0.111 7.958 1.00 0.00 C ATOM 1266 C LEU A3316 -8.188 0.021 9.417 1.00 0.00 C ATOM 1267 O LEU A3316 -7.411 0.581 10.192 1.00 0.00 O ATOM 1268 CB LEU A3316 -8.212 1.136 7.170 1.00 0.00 C ATOM 1269 CG LEU A3316 -9.745 1.291 7.052 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -10.351 2.175 8.157 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -10.138 1.956 5.732 1.00 0.00 C ATOM 0 H LEU A3316 -9.002 -1.130 6.609 1.00 0.00 H new ATOM 0 HA LEU A3316 -6.698 -0.193 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -7.801 2.022 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -7.781 1.091 6.170 1.00 0.00 H new ATOM 0 HG LEU A3316 -10.127 0.273 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -11.430 2.244 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -10.139 1.736 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -9.914 3.172 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -11.223 2.050 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -9.685 2.946 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -9.787 1.347 4.899 1.00 0.00 H new ATOM 1283 N ASN A3317 -9.373 -0.468 9.792 1.00 0.00 N ATOM 1284 CA ASN A3317 -9.816 -0.383 11.180 1.00 0.00 C ATOM 1285 C ASN A3317 -9.126 -1.452 12.012 1.00 0.00 C ATOM 1286 O ASN A3317 -8.894 -1.232 13.199 1.00 0.00 O ATOM 1287 CB ASN A3317 -11.336 -0.532 11.314 1.00 0.00 C ATOM 1288 CG ASN A3317 -11.819 0.109 12.600 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -12.092 -0.549 13.598 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -11.942 1.427 12.567 1.00 0.00 N ATOM 0 H ASN A3317 -10.034 -0.921 9.160 1.00 0.00 H new ATOM 0 HA ASN A3317 -9.546 0.608 11.545 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -11.830 -0.067 10.461 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -11.607 -1.588 11.303 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -12.274 1.929 13.391 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -11.705 1.940 11.718 1.00 0.00 H new ATOM 1297 N GLY A3318 -8.719 -2.548 11.368 1.00 0.00 N ATOM 1298 CA GLY A3318 -8.046 -3.666 12.020 1.00 0.00 C ATOM 1299 C GLY A3318 -9.084 -4.480 12.763 1.00 0.00 C ATOM 1300 O GLY A3318 -9.054 -4.623 13.989 1.00 0.00 O ATOM 0 H GLY A3318 -8.851 -2.683 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -7.536 -4.285 11.282 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -7.285 -3.301 12.710 1.00 0.00 H new