USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=6 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= 0.182 K(o=0.33,f=-0.73) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.144 X(o=0.33,f=0.035) USER MOD Single : A 4 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.052) USER MOD Single : A 6 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.56) USER MOD Single : A 7 THR OG1 : rot 90:sc= 0.207 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.213 X(o=-0.21,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -49:sc= 0.0186 USER MOD Single : A3295 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.034) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= -0.0157 F(o=-2.2!,f=-0.016) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.059) 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= -0.0295 X(o=-0.03,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -25.233 10.115 -1.454 1.00 0.00 N ATOM 33 CA ILE A 3 -24.376 9.350 -2.357 1.00 0.00 C ATOM 34 C ILE A 3 -23.503 8.377 -1.568 1.00 0.00 C ATOM 35 O ILE A 3 -22.897 8.756 -0.565 1.00 0.00 O ATOM 36 CB ILE A 3 -23.596 10.322 -3.278 1.00 0.00 C ATOM 37 CG1 ILE A 3 -23.107 9.595 -4.543 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.475 11.070 -2.533 1.00 0.00 C ATOM 39 CD1 ILE A 3 -22.645 10.525 -5.668 1.00 0.00 C ATOM 0 HA ILE A 3 -24.973 8.722 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.285 11.102 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.283 8.935 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -23.912 8.963 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.961 11.737 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.905 11.653 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.764 10.350 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -22.317 9.930 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.471 11.168 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -21.817 11.140 -5.315 1.00 0.00 H new ATOM 51 N ASN A 4 -23.463 7.128 -2.028 1.00 0.00 N ATOM 52 CA ASN A 4 -22.679 6.054 -1.430 1.00 0.00 C ATOM 53 C ASN A 4 -21.429 5.806 -2.265 1.00 0.00 C ATOM 54 O ASN A 4 -20.374 5.585 -1.691 1.00 0.00 O ATOM 55 CB ASN A 4 -23.499 4.768 -1.275 1.00 0.00 C ATOM 56 CG ASN A 4 -24.084 4.263 -2.578 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.246 4.517 -2.883 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.313 3.600 -3.412 1.00 0.00 N ATOM 0 H ASN A 4 -23.990 6.829 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.384 6.364 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.865 3.992 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.309 4.946 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -23.680 3.296 -4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.348 3.390 -3.157 1.00 0.00 H new ATOM 65 N GLU A 5 -21.502 5.960 -3.593 1.00 0.00 N ATOM 66 CA GLU A 5 -20.367 5.755 -4.508 1.00 0.00 C ATOM 67 C GLU A 5 -19.212 6.689 -4.127 1.00 0.00 C ATOM 68 O GLU A 5 -18.048 6.306 -4.095 1.00 0.00 O ATOM 69 CB GLU A 5 -20.791 5.975 -5.966 1.00 0.00 C ATOM 70 CG GLU A 5 -21.546 4.749 -6.497 1.00 0.00 C ATOM 71 CD GLU A 5 -21.879 4.883 -7.980 1.00 0.00 C ATOM 72 OE1 GLU A 5 -20.953 5.030 -8.801 1.00 0.00 O ATOM 73 OE2 GLU A 5 -23.077 4.805 -8.344 1.00 0.00 O ATOM 0 H GLU A 5 -22.361 6.234 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.027 4.724 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.425 6.859 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.912 6.163 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.942 3.855 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.467 4.616 -5.929 1.00 0.00 H new ATOM 80 N GLN A 6 -19.563 7.918 -3.772 1.00 0.00 N ATOM 81 CA GLN A 6 -18.622 8.939 -3.350 1.00 0.00 C ATOM 82 C GLN A 6 -18.064 8.586 -1.974 1.00 0.00 C ATOM 83 O GLN A 6 -16.933 8.957 -1.671 1.00 0.00 O ATOM 84 CB GLN A 6 -19.331 10.296 -3.294 1.00 0.00 C ATOM 85 CG GLN A 6 -18.649 11.387 -4.110 1.00 0.00 C ATOM 86 CD GLN A 6 -19.111 11.388 -5.560 1.00 0.00 C ATOM 87 OE1 GLN A 6 -19.260 10.349 -6.198 1.00 0.00 O ATOM 88 NE2 GLN A 6 -19.399 12.558 -6.099 1.00 0.00 N ATOM 0 H GLN A 6 -20.532 8.237 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.800 8.993 -4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.354 10.175 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.393 10.619 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.858 12.359 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.569 11.245 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.271 13.414 -5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.750 12.606 -7.056 1.00 0.00 H new ATOM 97 N THR A 7 -18.850 7.914 -1.125 1.00 0.00 N ATOM 98 CA THR A 7 -18.384 7.530 0.195 1.00 0.00 C ATOM 99 C THR A 7 -17.372 6.391 0.127 1.00 0.00 C ATOM 100 O THR A 7 -16.411 6.426 0.888 1.00 0.00 O ATOM 101 CB THR A 7 -19.538 7.107 1.097 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.487 8.150 1.180 1.00 0.00 O ATOM 103 CG2 THR A 7 -19.001 6.789 2.489 1.00 0.00 C ATOM 0 H THR A 7 -19.807 7.630 -1.335 1.00 0.00 H new ATOM 0 HA THR A 7 -17.903 8.413 0.616 1.00 0.00 H new ATOM 0 HB THR A 7 -20.018 6.221 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 -21.150 8.047 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.824 6.486 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.275 5.979 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.520 7.674 2.904 1.00 0.00 H new ATOM 111 N LEU A 8 -17.495 5.446 -0.812 1.00 0.00 N ATOM 112 CA LEU A 8 -16.579 4.316 -0.943 1.00 0.00 C ATOM 113 C LEU A 8 -15.167 4.851 -1.023 1.00 0.00 C ATOM 114 O LEU A 8 -14.272 4.191 -0.533 1.00 0.00 O ATOM 115 CB LEU A 8 -16.787 3.554 -2.261 1.00 0.00 C ATOM 116 CG LEU A 8 -18.223 3.315 -2.743 1.00 0.00 C ATOM 117 CD1 LEU A 8 -18.218 2.508 -4.044 1.00 0.00 C ATOM 118 CD2 LEU A 8 -19.083 2.588 -1.723 1.00 0.00 C ATOM 0 H LEU A 8 -18.242 5.448 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.757 3.660 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.259 4.096 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.303 2.582 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.657 4.302 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.244 2.345 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.672 3.057 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.735 1.546 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.087 2.450 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.643 1.615 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.137 3.176 -0.807 1.00 0.00 H new ATOM 130 N ASP A 9 -14.968 6.046 -1.577 1.00 0.00 N ATOM 131 CA ASP A 9 -13.672 6.694 -1.734 1.00 0.00 C ATOM 132 C ASP A 9 -12.920 6.744 -0.412 1.00 0.00 C ATOM 133 O ASP A 9 -11.746 6.368 -0.375 1.00 0.00 O ATOM 134 CB ASP A 9 -13.858 8.111 -2.259 1.00 0.00 C ATOM 135 CG ASP A 9 -12.534 8.870 -2.344 1.00 0.00 C ATOM 136 OD1 ASP A 9 -12.130 9.526 -1.350 1.00 0.00 O ATOM 137 OD2 ASP A 9 -11.890 8.798 -3.419 1.00 0.00 O ATOM 0 H ASP A 9 -15.736 6.609 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.089 6.109 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.318 8.074 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.544 8.652 -1.607 1.00 0.00 H new ATOM 142 N LYS A 10 -13.574 7.157 0.683 1.00 0.00 N ATOM 143 CA LYS A 10 -12.878 7.219 1.970 1.00 0.00 C ATOM 144 C LYS A 10 -12.534 5.814 2.461 1.00 0.00 C ATOM 145 O LYS A 10 -11.608 5.651 3.261 1.00 0.00 O ATOM 146 CB LYS A 10 -13.656 8.030 3.020 1.00 0.00 C ATOM 147 CG LYS A 10 -14.794 7.247 3.669 1.00 0.00 C ATOM 148 CD LYS A 10 -15.530 8.026 4.742 1.00 0.00 C ATOM 149 CE LYS A 10 -15.221 7.434 6.116 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.090 6.271 6.409 1.00 0.00 N ATOM 0 H LYS A 10 -14.553 7.444 0.704 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.943 7.757 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.966 8.364 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.063 8.925 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.504 6.947 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.392 6.333 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.232 9.074 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.603 7.994 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.175 7.129 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.360 8.197 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.856 5.891 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.086 6.569 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.939 5.535 5.690 1.00 0.00 H new ATOM 164 N LEU A 11 -13.339 4.819 2.085 1.00 0.00 N ATOM 165 CA LEU A 11 -13.162 3.431 2.466 1.00 0.00 C ATOM 166 C LEU A 11 -12.010 2.827 1.667 1.00 0.00 C ATOM 167 O LEU A 11 -11.077 2.285 2.243 1.00 0.00 O ATOM 168 CB LEU A 11 -14.451 2.601 2.265 1.00 0.00 C ATOM 169 CG LEU A 11 -15.621 2.766 3.248 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.254 2.711 4.730 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.445 4.021 2.987 1.00 0.00 C ATOM 0 H LEU A 11 -14.154 4.969 1.490 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.928 3.402 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.830 2.823 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.166 1.549 2.271 1.00 0.00 H new ATOM 0 HG LEU A 11 -16.221 1.880 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.153 2.838 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.799 1.747 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.548 3.509 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.256 4.082 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.808 4.900 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.862 3.980 1.981 1.00 0.00 H new ATOM 183 N ARG A 12 -12.016 2.917 0.340 1.00 0.00 N ATOM 184 CA ARG A 12 -10.967 2.339 -0.495 1.00 0.00 C ATOM 185 C ARG A 12 -9.617 2.917 -0.164 1.00 0.00 C ATOM 186 O ARG A 12 -8.661 2.158 -0.019 1.00 0.00 O ATOM 187 CB ARG A 12 -11.286 2.459 -1.990 1.00 0.00 C ATOM 188 CG ARG A 12 -11.688 3.868 -2.429 1.00 0.00 C ATOM 189 CD ARG A 12 -11.654 4.013 -3.930 1.00 0.00 C ATOM 190 NE ARG A 12 -11.357 5.380 -4.378 1.00 0.00 N ATOM 191 CZ ARG A 12 -10.143 5.914 -4.540 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.050 5.173 -4.380 1.00 0.00 N ATOM 193 NH2 ARG A 12 -10.020 7.194 -4.842 1.00 0.00 N ATOM 0 H ARG A 12 -12.748 3.393 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.930 1.274 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.414 2.146 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.093 1.769 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.691 4.091 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.015 4.596 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.904 3.335 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.616 3.706 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.155 5.980 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.134 4.187 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.128 5.590 -4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.852 7.774 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.093 7.602 -4.966 1.00 0.00 H new ATOM 207 N GLN A 13 -9.529 4.232 0.009 1.00 0.00 N ATOM 208 CA GLN A 13 -8.266 4.855 0.332 1.00 0.00 C ATOM 209 C GLN A 13 -7.771 4.339 1.699 1.00 0.00 C ATOM 210 O GLN A 13 -6.570 4.213 1.924 1.00 0.00 O ATOM 211 CB GLN A 13 -8.385 6.372 0.170 1.00 0.00 C ATOM 212 CG GLN A 13 -9.232 7.027 1.260 1.00 0.00 C ATOM 213 CD GLN A 13 -8.436 7.358 2.519 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.290 7.798 2.460 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.016 7.100 3.683 1.00 0.00 N ATOM 0 H GLN A 13 -10.316 4.877 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.477 4.573 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.388 6.812 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.822 6.594 -0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.675 7.942 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.054 6.361 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.968 6.735 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.510 7.266 4.553 1.00 0.00 H new ATOM 224 N ALA A 14 -8.683 4.005 2.620 1.00 0.00 N ATOM 225 CA ALA A 14 -8.339 3.481 3.933 1.00 0.00 C ATOM 226 C ALA A 14 -7.826 2.043 3.790 1.00 0.00 C ATOM 227 O ALA A 14 -6.891 1.646 4.485 1.00 0.00 O ATOM 228 CB ALA A 14 -9.573 3.533 4.842 1.00 0.00 C ATOM 0 H ALA A 14 -9.687 4.094 2.466 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.552 4.087 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.317 3.141 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.910 4.565 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.371 2.930 4.408 1.00 0.00 H new ATOM 234 N VAL A 15 -8.415 1.238 2.901 1.00 0.00 N ATOM 235 CA VAL A 15 -7.992 -0.140 2.694 1.00 0.00 C ATOM 236 C VAL A 15 -6.631 -0.141 2.015 1.00 0.00 C ATOM 237 O VAL A 15 -5.700 -0.758 2.528 1.00 0.00 O ATOM 238 CB VAL A 15 -9.030 -0.917 1.876 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.592 -2.356 1.556 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.361 -0.970 2.609 1.00 0.00 C ATOM 0 H VAL A 15 -9.194 1.526 2.310 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.908 -0.644 3.657 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.131 -0.377 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.370 -2.852 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.667 -2.335 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.429 -2.902 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.084 -1.526 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.227 -1.466 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.728 0.044 2.771 1.00 0.00 H new ATOM 250 N LEU A 16 -6.484 0.563 0.884 1.00 0.00 N ATOM 251 CA LEU A 16 -5.200 0.603 0.189 1.00 0.00 C ATOM 252 C LEU A 16 -4.097 1.069 1.125 1.00 0.00 C ATOM 253 O LEU A 16 -2.987 0.564 1.005 1.00 0.00 O ATOM 254 CB LEU A 16 -5.250 1.343 -1.151 1.00 0.00 C ATOM 255 CG LEU A 16 -5.449 2.863 -1.099 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.106 3.598 -1.099 1.00 0.00 C ATOM 257 CD2 LEU A 16 -6.292 3.306 -2.307 1.00 0.00 C ATOM 0 H LEU A 16 -7.228 1.102 0.441 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.951 -0.418 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.321 1.141 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.058 0.915 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.967 3.115 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.280 4.673 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.525 3.294 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.556 3.351 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.436 4.386 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.776 3.037 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.262 2.810 -2.275 1.00 0.00 H new ATOM 269 N GLN A 17 -4.381 1.954 2.091 1.00 0.00 N ATOM 270 CA GLN A 17 -3.362 2.393 3.029 1.00 0.00 C ATOM 271 C GLN A 17 -2.749 1.178 3.733 1.00 0.00 C ATOM 272 O GLN A 17 -1.517 1.088 3.750 1.00 0.00 O ATOM 273 CB GLN A 17 -3.908 3.425 4.024 1.00 0.00 C ATOM 274 CG GLN A 17 -3.744 4.832 3.449 1.00 0.00 C ATOM 275 CD GLN A 17 -4.153 5.924 4.430 1.00 0.00 C ATOM 276 OE1 GLN A 17 -3.600 6.016 5.526 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.074 6.796 4.063 1.00 0.00 N ATOM 0 H GLN A 17 -5.301 2.371 2.235 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.573 2.900 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.960 3.226 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.378 3.345 4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.704 4.982 3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.343 4.921 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.525 6.709 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.335 7.557 4.690 1.00 0.00 H new ATOM 286 N LYS A 18 -3.534 0.232 4.277 1.00 0.00 N ATOM 287 CA LYS A 18 -2.904 -0.922 4.926 1.00 0.00 C ATOM 288 C LYS A 18 -2.114 -1.747 3.912 1.00 0.00 C ATOM 289 O LYS A 18 -1.001 -2.141 4.234 1.00 0.00 O ATOM 290 CB LYS A 18 -3.869 -1.774 5.762 1.00 0.00 C ATOM 291 CG LYS A 18 -4.827 -2.668 4.959 1.00 0.00 C ATOM 292 CD LYS A 18 -6.296 -2.382 5.266 1.00 0.00 C ATOM 293 CE LYS A 18 -6.819 -3.313 6.349 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.169 -3.197 7.671 1.00 0.00 N ATOM 0 H LYS A 18 -4.554 0.241 4.281 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.201 -0.522 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.283 -2.406 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.461 -1.109 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.647 -2.522 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.611 -3.714 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.409 -1.346 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.890 -2.502 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.886 -3.130 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.710 -4.340 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.601 -3.875 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.154 -3.403 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.294 -2.231 8.036 1.00 0.00 H new ATOM 308 N LYS A 19 -2.605 -1.914 2.676 1.00 0.00 N ATOM 309 CA LYS A 19 -1.927 -2.692 1.638 1.00 0.00 C ATOM 310 C LYS A 19 -0.506 -2.174 1.438 1.00 0.00 C ATOM 311 O LYS A 19 0.418 -2.973 1.304 1.00 0.00 O ATOM 312 CB LYS A 19 -2.718 -2.682 0.314 1.00 0.00 C ATOM 313 CG LYS A 19 -3.997 -3.532 0.408 1.00 0.00 C ATOM 314 CD LYS A 19 -4.797 -3.597 -0.908 1.00 0.00 C ATOM 315 CE LYS A 19 -5.883 -4.678 -0.851 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.349 -6.048 -1.007 1.00 0.00 N ATOM 0 H LYS A 19 -3.490 -1.509 2.370 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.874 -3.729 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.981 -1.656 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.087 -3.062 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.728 -4.544 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.636 -3.125 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.256 -2.628 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.120 -3.803 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.409 -4.606 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.616 -4.489 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.130 -6.733 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.871 -6.132 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.670 -6.245 -0.244 1.00 0.00 H new ATOM 330 N ILE A 20 -0.287 -0.856 1.513 1.00 0.00 N ATOM 331 CA ILE A 20 1.047 -0.289 1.334 1.00 0.00 C ATOM 332 C ILE A 20 1.994 -0.795 2.433 1.00 0.00 C ATOM 333 O ILE A 20 3.167 -1.040 2.161 1.00 0.00 O ATOM 334 CB ILE A 20 1.019 1.255 1.245 1.00 0.00 C ATOM 335 CG1 ILE A 20 -0.116 1.832 0.365 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.375 1.779 0.735 1.00 0.00 C ATOM 337 CD1 ILE A 20 -0.447 1.066 -0.924 1.00 0.00 C ATOM 0 H ILE A 20 -1.017 -0.167 1.696 1.00 0.00 H new ATOM 0 HA ILE A 20 1.434 -0.634 0.375 1.00 0.00 H new ATOM 0 HB ILE A 20 0.820 1.599 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.021 1.887 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.149 2.854 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.346 2.867 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.165 1.474 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.576 1.367 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.257 1.571 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.435 1.032 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.754 0.050 -0.675 1.00 0.00 H new ATOM 349 N LYS A 21 1.510 -0.928 3.670 1.00 0.00 N ATOM 350 CA LYS A 21 2.265 -1.422 4.827 1.00 0.00 C ATOM 351 C LYS A 21 2.455 -2.939 4.706 1.00 0.00 C ATOM 352 O LYS A 21 3.415 -3.488 5.235 1.00 0.00 O ATOM 353 CB LYS A 21 1.528 -1.135 6.144 1.00 0.00 C ATOM 354 CG LYS A 21 0.910 0.270 6.238 1.00 0.00 C ATOM 355 CD LYS A 21 0.297 0.504 7.623 1.00 0.00 C ATOM 356 CE LYS A 21 -0.904 1.455 7.606 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.536 2.875 7.429 1.00 0.00 N ATOM 0 H LYS A 21 0.547 -0.686 3.903 1.00 0.00 H new ATOM 0 HA LYS A 21 3.226 -0.908 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.738 -1.875 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.225 -1.267 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.674 1.022 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.144 0.387 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.014 -0.454 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.061 0.908 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.578 1.161 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.456 1.346 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.397 3.459 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.083 3.173 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.035 2.994 6.525 1.00 0.00 H new ATOM 371 N GLU A 22 1.535 -3.642 4.047 1.00 0.00 N ATOM 372 CA GLU A 22 1.616 -5.084 3.883 1.00 0.00 C ATOM 373 C GLU A 22 2.680 -5.434 2.846 1.00 0.00 C ATOM 374 O GLU A 22 3.558 -6.231 3.164 1.00 0.00 O ATOM 375 CB GLU A 22 0.262 -5.705 3.507 1.00 0.00 C ATOM 376 CG GLU A 22 -0.771 -5.549 4.634 1.00 0.00 C ATOM 377 CD GLU A 22 -2.093 -6.290 4.392 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.704 -6.753 5.387 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.542 -6.393 3.228 1.00 0.00 O ATOM 0 H GLU A 22 0.713 -3.223 3.613 1.00 0.00 H new ATOM 0 HA GLU A 22 1.901 -5.509 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.115 -5.232 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.397 -6.763 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.332 -5.909 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.983 -4.489 4.771 1.00 0.00 H new ATOM 386 N ARG A 23 2.679 -4.811 1.658 1.00 0.00 N ATOM 387 CA ARG A 23 3.674 -5.105 0.605 1.00 0.00 C ATOM 388 C ARG A 23 5.101 -4.927 1.110 1.00 0.00 C ATOM 389 O ARG A 23 5.977 -5.710 0.759 1.00 0.00 O ATOM 390 CB ARG A 23 3.428 -4.337 -0.718 1.00 0.00 C ATOM 391 CG ARG A 23 3.216 -2.819 -0.631 1.00 0.00 C ATOM 392 CD ARG A 23 4.480 -1.967 -0.855 1.00 0.00 C ATOM 393 NE ARG A 23 5.148 -2.235 -2.151 1.00 0.00 N ATOM 394 CZ ARG A 23 4.634 -2.065 -3.379 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.468 -1.444 -3.510 1.00 0.00 N ATOM 396 NH2 ARG A 23 5.275 -2.506 -4.457 1.00 0.00 N ATOM 0 H ARG A 23 1.999 -4.097 1.398 1.00 0.00 H new ATOM 0 HA ARG A 23 3.538 -6.158 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.278 -4.520 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.552 -4.771 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.467 -2.530 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.806 -2.581 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.212 -0.912 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.185 -2.156 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 23 6.104 -2.588 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.976 -1.104 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.064 -1.307 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.172 -2.982 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.870 -2.368 -5.383 1.00 0.00 H new ATOM 410 N ILE A 24 5.340 -3.919 1.942 1.00 0.00 N ATOM 411 CA ILE A 24 6.657 -3.663 2.500 1.00 0.00 C ATOM 412 C ILE A 24 6.987 -4.677 3.597 1.00 0.00 C ATOM 413 O ILE A 24 8.061 -5.275 3.569 1.00 0.00 O ATOM 414 CB ILE A 24 6.737 -2.207 3.021 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.121 -1.901 3.632 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.631 -1.842 4.019 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.191 -0.499 4.234 1.00 0.00 C ATOM 0 H ILE A 24 4.625 -3.259 2.247 1.00 0.00 H new ATOM 0 HA ILE A 24 7.405 -3.782 1.716 1.00 0.00 H new ATOM 0 HB ILE A 24 6.583 -1.582 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.346 -2.637 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.886 -2.002 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.755 -0.807 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.658 -1.961 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.693 -2.499 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.184 -0.331 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.994 0.240 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.445 -0.404 5.023 1.00 0.00 H new ATOM 429 N GLN A 25 6.078 -4.879 4.551 1.00 0.00 N ATOM 430 CA GLN A 25 6.312 -5.770 5.677 1.00 0.00 C ATOM 431 C GLN A 25 6.397 -7.250 5.315 1.00 0.00 C ATOM 432 O GLN A 25 7.256 -7.961 5.827 1.00 0.00 O ATOM 433 CB GLN A 25 5.179 -5.529 6.682 1.00 0.00 C ATOM 434 CG GLN A 25 5.385 -6.269 7.996 1.00 0.00 C ATOM 435 CD GLN A 25 4.194 -6.034 8.917 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.064 -6.404 8.605 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.399 -5.381 10.043 1.00 0.00 N ATOM 0 H GLN A 25 5.163 -4.429 4.561 1.00 0.00 H new ATOM 0 HA GLN A 25 7.293 -5.537 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.098 -4.460 6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.234 -5.843 6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.505 -7.336 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.301 -5.925 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.340 -5.078 10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.616 -5.178 10.665 1.00 0.00 H new ATOM 446 N ASN A 26 5.445 -7.723 4.516 1.00 0.00 N ATOM 447 CA ASN A 26 5.354 -9.110 4.093 1.00 0.00 C ATOM 448 C ASN A 26 6.370 -9.377 2.991 1.00 0.00 C ATOM 449 O ASN A 26 7.147 -10.320 3.070 1.00 0.00 O ATOM 450 CB ASN A 26 3.936 -9.420 3.564 1.00 0.00 C ATOM 451 CG ASN A 26 2.814 -9.352 4.598 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.134 -10.342 4.852 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.530 -8.192 5.172 1.00 0.00 N ATOM 0 H ASN A 26 4.701 -7.137 4.138 1.00 0.00 H new ATOM 0 HA ASN A 26 5.562 -9.750 4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.707 -8.720 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.942 -10.418 3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.748 -8.123 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.093 -7.368 4.963 1.00 0.00 H new ATOM 460 N SER A 27 6.347 -8.539 1.947 1.00 0.00 N ATOM 461 CA SER A 27 7.192 -8.573 0.752 1.00 0.00 C ATOM 462 C SER A 27 7.174 -9.885 -0.052 1.00 0.00 C ATOM 463 O SER A 27 7.797 -9.989 -1.111 1.00 0.00 O ATOM 464 CB SER A 27 8.597 -8.080 1.118 1.00 0.00 C ATOM 465 OG SER A 27 9.040 -7.138 0.158 1.00 0.00 O ATOM 0 H SER A 27 5.687 -7.762 1.916 1.00 0.00 H new ATOM 0 HA SER A 27 6.749 -7.886 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.586 -7.626 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.288 -8.922 1.161 1.00 0.00 H new ATOM 0 HG SER A 27 9.937 -6.825 0.397 1.00 0.00 H new ATOM 834 N ILE A3289 5.790 6.399 -0.121 1.00 0.00 N ATOM 835 CA ILE A3289 6.961 6.685 -0.926 1.00 0.00 C ATOM 836 C ILE A3289 6.496 6.737 -2.381 1.00 0.00 C ATOM 837 O ILE A3289 6.423 5.717 -3.068 1.00 0.00 O ATOM 838 CB ILE A3289 8.088 5.667 -0.633 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.359 5.514 0.887 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.367 6.134 -1.347 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.391 4.435 1.238 1.00 0.00 C ATOM 0 HA ILE A3289 7.410 7.648 -0.683 1.00 0.00 H new ATOM 0 HB ILE A3289 7.774 4.691 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.702 6.471 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.421 5.280 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.172 5.426 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.185 6.188 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.651 7.119 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.521 4.394 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.043 3.467 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.344 4.676 0.767 1.00 0.00 H new ATOM 853 N GLU A3290 6.135 7.935 -2.835 1.00 0.00 N ATOM 854 CA GLU A3290 5.662 8.201 -4.193 1.00 0.00 C ATOM 855 C GLU A3290 6.769 7.971 -5.240 1.00 0.00 C ATOM 856 O GLU A3290 6.510 7.933 -6.438 1.00 0.00 O ATOM 857 CB GLU A3290 5.108 9.636 -4.220 1.00 0.00 C ATOM 858 CG GLU A3290 4.268 9.954 -5.465 1.00 0.00 C ATOM 859 CD GLU A3290 3.407 11.200 -5.249 1.00 0.00 C ATOM 860 OE1 GLU A3290 2.465 11.148 -4.424 1.00 0.00 O ATOM 861 OE2 GLU A3290 3.655 12.249 -5.887 1.00 0.00 O ATOM 0 H GLU A3290 6.164 8.772 -2.252 1.00 0.00 H new ATOM 0 HA GLU A3290 4.870 7.502 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.498 9.796 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A3290 5.940 10.338 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A3290 4.925 10.107 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A3290 3.629 9.104 -5.702 1.00 0.00 H new ATOM 868 N THR A3291 7.998 7.728 -4.794 1.00 0.00 N ATOM 869 CA THR A3291 9.175 7.502 -5.615 1.00 0.00 C ATOM 870 C THR A3291 9.806 6.146 -5.273 1.00 0.00 C ATOM 871 O THR A3291 10.978 6.050 -4.901 1.00 0.00 O ATOM 872 CB THR A3291 10.053 8.755 -5.486 1.00 0.00 C ATOM 873 OG1 THR A3291 11.195 8.719 -6.315 1.00 0.00 O ATOM 874 CG2 THR A3291 10.463 9.102 -4.047 1.00 0.00 C ATOM 0 H THR A3291 8.207 7.682 -3.797 1.00 0.00 H new ATOM 0 HA THR A3291 8.964 7.395 -6.679 1.00 0.00 H new ATOM 0 HB THR A3291 9.398 9.555 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A3291 11.652 7.859 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A3291 11.081 10.000 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.570 9.278 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.029 8.274 -3.620 1.00 0.00 H new ATOM 882 N PHE A3292 8.984 5.095 -5.292 1.00 0.00 N ATOM 883 CA PHE A3292 9.404 3.733 -5.026 1.00 0.00 C ATOM 884 C PHE A3292 8.385 2.713 -5.523 1.00 0.00 C ATOM 885 O PHE A3292 8.748 1.821 -6.284 1.00 0.00 O ATOM 886 CB PHE A3292 9.660 3.506 -3.532 1.00 0.00 C ATOM 887 CG PHE A3292 10.226 2.131 -3.194 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.107 1.472 -4.078 1.00 0.00 C ATOM 889 CD2 PHE A3292 9.882 1.504 -1.982 1.00 0.00 C ATOM 890 CE1 PHE A3292 11.586 0.188 -3.786 1.00 0.00 C ATOM 891 CE2 PHE A3292 10.380 0.221 -1.685 1.00 0.00 C ATOM 892 CZ PHE A3292 11.201 -0.453 -2.602 1.00 0.00 C ATOM 0 H PHE A3292 7.988 5.177 -5.498 1.00 0.00 H new ATOM 0 HA PHE A3292 10.335 3.589 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.352 4.269 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.724 3.644 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A3292 11.415 1.963 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A3292 9.235 2.008 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A3292 12.253 -0.308 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.128 -0.248 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A3292 11.534 -1.460 -2.396 1.00 0.00 H new ATOM 902 N PHE A3293 7.120 2.847 -5.117 1.00 0.00 N ATOM 903 CA PHE A3293 6.061 1.912 -5.491 1.00 0.00 C ATOM 904 C PHE A3293 4.838 2.570 -6.128 1.00 0.00 C ATOM 905 O PHE A3293 3.795 1.926 -6.236 1.00 0.00 O ATOM 906 CB PHE A3293 5.685 1.054 -4.265 1.00 0.00 C ATOM 907 CG PHE A3293 5.622 1.780 -2.931 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.396 1.328 -1.845 1.00 0.00 C ATOM 909 CD2 PHE A3293 4.831 2.934 -2.778 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.358 2.011 -0.617 1.00 0.00 C ATOM 911 CE2 PHE A3293 4.786 3.605 -1.548 1.00 0.00 C ATOM 912 CZ PHE A3293 5.530 3.131 -0.455 1.00 0.00 C ATOM 0 H PHE A3293 6.803 3.609 -4.518 1.00 0.00 H new ATOM 0 HA PHE A3293 6.458 1.272 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A3293 4.714 0.596 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.408 0.243 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A3293 7.021 0.454 -1.956 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.255 3.305 -3.613 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.970 1.671 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.177 4.490 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.465 3.625 0.503 1.00 0.00 H new ATOM 922 N ALA A3294 4.906 3.841 -6.531 1.00 0.00 N ATOM 923 CA ALA A3294 3.762 4.530 -7.137 1.00 0.00 C ATOM 924 C ALA A3294 3.178 3.762 -8.330 1.00 0.00 C ATOM 925 O ALA A3294 1.972 3.816 -8.573 1.00 0.00 O ATOM 926 CB ALA A3294 4.149 5.952 -7.522 1.00 0.00 C ATOM 0 H ALA A3294 5.744 4.416 -6.449 1.00 0.00 H new ATOM 0 HA ALA A3294 2.970 4.575 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A3294 3.292 6.454 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A3294 4.463 6.497 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A3294 4.969 5.924 -8.239 1.00 0.00 H new ATOM 932 N GLN A3295 4.031 3.030 -9.050 1.00 0.00 N ATOM 933 CA GLN A3295 3.620 2.243 -10.200 1.00 0.00 C ATOM 934 C GLN A3295 2.688 1.114 -9.749 1.00 0.00 C ATOM 935 O GLN A3295 1.751 0.785 -10.465 1.00 0.00 O ATOM 936 CB GLN A3295 4.847 1.689 -10.944 1.00 0.00 C ATOM 937 CG GLN A3295 5.918 2.742 -11.288 1.00 0.00 C ATOM 938 CD GLN A3295 5.336 3.909 -12.082 1.00 0.00 C ATOM 939 OE1 GLN A3295 4.638 3.692 -13.070 1.00 0.00 O ATOM 940 NE2 GLN A3295 5.579 5.142 -11.669 1.00 0.00 N ATOM 0 H GLN A3295 5.029 2.971 -8.846 1.00 0.00 H new ATOM 0 HA GLN A3295 3.076 2.883 -10.894 1.00 0.00 H new ATOM 0 HB2 GLN A3295 5.305 0.910 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN A3295 4.513 1.215 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A3295 6.367 3.117 -10.368 1.00 0.00 H new ATOM 0 HG3 GLN A3295 6.716 2.273 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A3295 6.161 5.299 -10.846 1.00 0.00 H new ATOM 0 HE22 GLN A3295 5.184 5.936 -12.173 1.00 0.00 H new ATOM 949 N ASP A3296 2.970 0.455 -8.621 1.00 0.00 N ATOM 950 CA ASP A3296 2.128 -0.621 -8.095 1.00 0.00 C ATOM 951 C ASP A3296 0.914 -0.086 -7.343 1.00 0.00 C ATOM 952 O ASP A3296 -0.139 -0.727 -7.357 1.00 0.00 O ATOM 953 CB ASP A3296 2.901 -1.544 -7.145 1.00 0.00 C ATOM 954 CG ASP A3296 3.884 -2.461 -7.848 1.00 0.00 C ATOM 955 OD1 ASP A3296 3.511 -3.095 -8.859 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.027 -2.556 -7.347 1.00 0.00 O ATOM 0 H ASP A3296 3.790 0.654 -8.047 1.00 0.00 H new ATOM 0 HA ASP A3296 1.799 -1.183 -8.969 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.441 -0.934 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.190 -2.150 -6.584 1.00 0.00 H new ATOM 961 N ILE A3297 1.066 1.049 -6.656 1.00 0.00 N ATOM 962 CA ILE A3297 0.031 1.710 -5.864 1.00 0.00 C ATOM 963 C ILE A3297 -1.199 1.960 -6.726 1.00 0.00 C ATOM 964 O ILE A3297 -2.315 1.676 -6.287 1.00 0.00 O ATOM 965 CB ILE A3297 0.607 3.027 -5.257 1.00 0.00 C ATOM 966 CG1 ILE A3297 0.995 2.932 -3.767 1.00 0.00 C ATOM 967 CG2 ILE A3297 -0.320 4.246 -5.422 1.00 0.00 C ATOM 968 CD1 ILE A3297 1.850 1.713 -3.424 1.00 0.00 C ATOM 0 H ILE A3297 1.953 1.552 -6.637 1.00 0.00 H new ATOM 0 HA ILE A3297 -0.279 1.071 -5.037 1.00 0.00 H new ATOM 0 HB ILE A3297 1.512 3.171 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.538 3.834 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.086 2.906 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A3297 0.149 5.123 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A3297 -0.495 4.429 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -1.270 4.050 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.081 1.718 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.303 0.803 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A3297 2.777 1.746 -3.996 1.00 0.00 H new ATOM 980 N GLU A3298 -0.998 2.471 -7.941 1.00 0.00 N ATOM 981 CA GLU A3298 -2.099 2.769 -8.836 1.00 0.00 C ATOM 982 C GLU A3298 -2.871 1.496 -9.164 1.00 0.00 C ATOM 983 O GLU A3298 -4.083 1.538 -9.325 1.00 0.00 O ATOM 984 CB GLU A3298 -1.578 3.486 -10.090 1.00 0.00 C ATOM 985 CG GLU A3298 -0.803 2.569 -11.048 1.00 0.00 C ATOM 986 CD GLU A3298 -1.651 2.110 -12.232 1.00 0.00 C ATOM 987 OE1 GLU A3298 -2.037 2.978 -13.045 1.00 0.00 O ATOM 988 OE2 GLU A3298 -1.900 0.892 -12.398 1.00 0.00 O ATOM 0 H GLU A3298 -0.077 2.685 -8.322 1.00 0.00 H new ATOM 0 HA GLU A3298 -2.799 3.447 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -2.421 3.925 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -0.931 4.308 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A3298 0.077 3.096 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A3298 -0.446 1.696 -10.501 1.00 0.00 H new ATOM 995 N SER A3299 -2.196 0.349 -9.213 1.00 0.00 N ATOM 996 CA SER A3299 -2.868 -0.897 -9.543 1.00 0.00 C ATOM 997 C SER A3299 -3.724 -1.368 -8.375 1.00 0.00 C ATOM 998 O SER A3299 -4.748 -2.009 -8.584 1.00 0.00 O ATOM 999 CB SER A3299 -1.873 -1.969 -9.988 1.00 0.00 C ATOM 1000 OG SER A3299 -2.578 -2.943 -10.739 1.00 0.00 O ATOM 0 H SER A3299 -1.196 0.261 -9.030 1.00 0.00 H new ATOM 0 HA SER A3299 -3.531 -0.713 -10.389 1.00 0.00 H new ATOM 0 HB2 SER A3299 -1.080 -1.525 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A3299 -1.396 -2.428 -9.122 1.00 0.00 H new ATOM 0 HG SER A3299 -1.956 -3.640 -11.036 1.00 0.00 H new ATOM 1006 N VAL A3300 -3.304 -1.076 -7.148 1.00 0.00 N ATOM 1007 CA VAL A3300 -4.037 -1.454 -5.955 1.00 0.00 C ATOM 1008 C VAL A3300 -5.239 -0.526 -5.842 1.00 0.00 C ATOM 1009 O VAL A3300 -6.357 -0.967 -5.573 1.00 0.00 O ATOM 1010 CB VAL A3300 -3.092 -1.355 -4.744 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -3.846 -1.390 -3.414 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.078 -2.499 -4.814 1.00 0.00 C ATOM 0 H VAL A3300 -2.440 -0.568 -6.957 1.00 0.00 H new ATOM 0 HA VAL A3300 -4.400 -2.481 -5.997 1.00 0.00 H new ATOM 0 HB VAL A3300 -2.580 -0.394 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -3.135 -1.317 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -4.542 -0.552 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -4.399 -2.326 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -1.403 -2.439 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -2.604 -3.453 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -1.504 -2.420 -5.737 1.00 0.00 H new ATOM 1022 N GLN A3301 -5.030 0.777 -6.035 1.00 0.00 N ATOM 1023 CA GLN A3301 -6.121 1.724 -5.936 1.00 0.00 C ATOM 1024 C GLN A3301 -7.148 1.441 -7.027 1.00 0.00 C ATOM 1025 O GLN A3301 -8.339 1.579 -6.756 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.593 3.157 -5.836 1.00 0.00 C ATOM 1027 CG GLN A3301 -5.321 3.891 -7.144 1.00 0.00 C ATOM 1028 CD GLN A3301 -6.448 4.859 -7.520 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -7.680 4.390 -7.653 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -6.232 6.061 -7.632 1.00 0.00 N flip ATOM 0 H GLN A3301 -4.124 1.189 -6.258 1.00 0.00 H new ATOM 0 HA GLN A3301 -6.672 1.598 -5.004 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -6.312 3.743 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.667 3.137 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -4.385 4.444 -7.059 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -5.190 3.163 -7.945 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -5.283 6.420 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -7.001 6.701 -7.828 1.00 0.00 H new ATOM 1039 N LYS A3302 -6.704 1.029 -8.219 1.00 0.00 N ATOM 1040 CA LYS A3302 -7.558 0.689 -9.352 1.00 0.00 C ATOM 1041 C LYS A3302 -8.394 -0.545 -9.035 1.00 0.00 C ATOM 1042 O LYS A3302 -9.487 -0.675 -9.582 1.00 0.00 O ATOM 1043 CB LYS A3302 -6.724 0.448 -10.615 1.00 0.00 C ATOM 1044 CG LYS A3302 -6.374 1.770 -11.324 1.00 0.00 C ATOM 1045 CD LYS A3302 -5.295 1.573 -12.396 1.00 0.00 C ATOM 1046 CE LYS A3302 -5.858 0.771 -13.573 1.00 0.00 C ATOM 1047 NZ LYS A3302 -4.845 0.441 -14.599 1.00 0.00 N ATOM 0 H LYS A3302 -5.711 0.921 -8.424 1.00 0.00 H new ATOM 0 HA LYS A3302 -8.225 1.531 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -5.807 -0.078 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -7.276 -0.197 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -7.271 2.185 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -6.028 2.496 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -4.938 2.542 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -4.438 1.052 -11.968 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -6.297 -0.153 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -6.663 1.340 -14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -5.292 -0.101 -15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -4.443 1.319 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -4.088 -0.127 -14.169 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.912 -1.447 -8.176 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.681 -2.638 -7.832 1.00 0.00 C ATOM 1063 C GLU A3303 -9.821 -2.199 -6.904 1.00 0.00 C ATOM 1064 O GLU A3303 -10.991 -2.478 -7.135 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.779 -3.773 -7.263 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.889 -4.024 -5.747 1.00 0.00 C ATOM 1067 CD GLU A3303 -7.024 -5.161 -5.197 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.796 -5.188 -5.425 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -7.568 -5.994 -4.436 1.00 0.00 O ATOM 0 H GLU A3303 -7.006 -1.375 -7.714 1.00 0.00 H new ATOM 0 HA GLU A3303 -9.121 -3.090 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -8.022 -4.699 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.741 -3.538 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.623 -3.105 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.931 -4.236 -5.507 1.00 0.00 H new ATOM 1076 N LEU A3304 -9.496 -1.407 -5.884 1.00 0.00 N ATOM 1077 CA LEU A3304 -10.433 -0.933 -4.888 1.00 0.00 C ATOM 1078 C LEU A3304 -11.454 0.109 -5.317 1.00 0.00 C ATOM 1079 O LEU A3304 -12.526 0.183 -4.720 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.618 -0.305 -3.775 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.690 -1.255 -3.001 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -8.390 -0.547 -1.695 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -9.256 -2.641 -2.685 1.00 0.00 C ATOM 0 H LEU A3304 -8.545 -1.072 -5.730 1.00 0.00 H new ATOM 0 HA LEU A3304 -11.018 -1.812 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -9.013 0.495 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -10.304 0.158 -3.066 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.824 -1.455 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -7.731 -1.167 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -7.903 0.406 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -9.320 -0.370 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -8.513 -3.221 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -10.155 -2.537 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -9.504 -3.153 -3.615 1.00 0.00 H new ATOM 1095 N GLU A3305 -11.149 0.958 -6.284 1.00 0.00 N ATOM 1096 CA GLU A3305 -12.082 1.998 -6.733 1.00 0.00 C ATOM 1097 C GLU A3305 -13.374 1.455 -7.343 1.00 0.00 C ATOM 1098 O GLU A3305 -14.346 2.206 -7.450 1.00 0.00 O ATOM 1099 CB GLU A3305 -11.392 3.037 -7.610 1.00 0.00 C ATOM 1100 CG GLU A3305 -10.818 2.368 -8.853 1.00 0.00 C ATOM 1101 CD GLU A3305 -10.102 3.362 -9.781 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -9.645 2.975 -10.876 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -9.933 4.553 -9.418 1.00 0.00 O ATOM 0 H GLU A3305 -10.258 0.953 -6.781 1.00 0.00 H new ATOM 0 HA GLU A3305 -12.410 2.514 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -12.103 3.812 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -10.596 3.527 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -10.118 1.589 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -11.622 1.879 -9.402 1.00 0.00 H new ATOM 1110 N ASN A3306 -13.400 0.178 -7.727 1.00 0.00 N ATOM 1111 CA ASN A3306 -14.598 -0.455 -8.269 1.00 0.00 C ATOM 1112 C ASN A3306 -15.244 -1.324 -7.186 1.00 0.00 C ATOM 1113 O ASN A3306 -16.277 -1.944 -7.450 1.00 0.00 O ATOM 1114 CB ASN A3306 -14.334 -1.235 -9.562 1.00 0.00 C ATOM 1115 CG ASN A3306 -13.485 -2.472 -9.374 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -13.966 -3.538 -8.996 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -12.210 -2.364 -9.682 1.00 0.00 N ATOM 0 H ASN A3306 -12.593 -0.443 -7.670 1.00 0.00 H new ATOM 0 HA ASN A3306 -15.297 0.331 -8.557 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -15.289 -1.526 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -13.843 -0.576 -10.278 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.597 -3.176 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -11.835 -1.468 -9.993 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.647 -1.412 -5.983 1.00 0.00 N ATOM 1125 CA LEU A3307 -15.243 -2.214 -4.919 1.00 0.00 C ATOM 1126 C LEU A3307 -16.274 -1.404 -4.139 1.00 0.00 C ATOM 1127 O LEU A3307 -16.215 -0.176 -4.096 1.00 0.00 O ATOM 1128 CB LEU A3307 -14.168 -2.784 -3.975 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.767 -4.262 -4.153 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -14.729 -5.106 -4.975 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -12.379 -4.423 -4.751 1.00 0.00 C ATOM 0 H LEU A3307 -13.774 -0.947 -5.735 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.753 -3.056 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -13.269 -2.177 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -14.517 -2.653 -2.951 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.793 -4.635 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -14.354 -6.127 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.709 -5.109 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -14.814 -4.688 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -12.148 -5.483 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -12.348 -3.948 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -11.644 -3.954 -4.097 1.00 0.00 H new ATOM 1143 N SER A3308 -17.207 -2.117 -3.515 1.00 0.00 N ATOM 1144 CA SER A3308 -18.304 -1.613 -2.700 1.00 0.00 C ATOM 1145 C SER A3308 -17.855 -1.406 -1.248 1.00 0.00 C ATOM 1146 O SER A3308 -16.791 -1.888 -0.868 1.00 0.00 O ATOM 1147 CB SER A3308 -19.445 -2.625 -2.831 1.00 0.00 C ATOM 1148 OG SER A3308 -19.779 -2.795 -4.203 1.00 0.00 O ATOM 0 H SER A3308 -17.215 -3.135 -3.571 1.00 0.00 H new ATOM 0 HA SER A3308 -18.641 -0.633 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A3308 -19.148 -3.580 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A3308 -20.316 -2.279 -2.275 1.00 0.00 H new ATOM 0 HG SER A3308 -20.508 -3.445 -4.284 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.612 -0.677 -0.419 1.00 0.00 N ATOM 1155 CA GLU A3309 -18.272 -0.441 0.978 1.00 0.00 C ATOM 1156 C GLU A3309 -18.119 -1.789 1.641 1.00 0.00 C ATOM 1157 O GLU A3309 -17.058 -2.045 2.162 1.00 0.00 O ATOM 1158 CB GLU A3309 -19.346 0.415 1.699 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.949 1.892 1.825 1.00 0.00 C ATOM 1160 CD GLU A3309 -20.115 2.870 2.045 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -20.120 3.591 3.073 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -21.012 2.973 1.180 1.00 0.00 O ATOM 0 H GLU A3309 -19.484 -0.233 -0.707 1.00 0.00 H new ATOM 0 HA GLU A3309 -17.343 0.126 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -20.287 0.342 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -19.522 0.005 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -18.250 1.994 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -18.416 2.186 0.921 1.00 0.00 H new ATOM 1169 N GLU A3310 -19.048 -2.711 1.496 1.00 0.00 N ATOM 1170 CA GLU A3310 -19.041 -4.041 2.097 1.00 0.00 C ATOM 1171 C GLU A3310 -17.732 -4.794 1.838 1.00 0.00 C ATOM 1172 O GLU A3310 -17.426 -5.741 2.554 1.00 0.00 O ATOM 1173 CB GLU A3310 -20.263 -4.791 1.546 1.00 0.00 C ATOM 1174 CG GLU A3310 -20.216 -4.906 0.013 1.00 0.00 C ATOM 1175 CD GLU A3310 -21.610 -4.976 -0.617 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -22.203 -3.909 -0.924 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -22.142 -6.091 -0.797 1.00 0.00 O ATOM 0 H GLU A3310 -19.877 -2.549 0.925 1.00 0.00 H new ATOM 0 HA GLU A3310 -19.103 -3.962 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -20.306 -5.788 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -21.174 -4.272 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -19.680 -4.049 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -19.652 -5.797 -0.263 1.00 0.00 H new ATOM 1184 N GLU A3311 -17.061 -4.519 0.717 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.799 -5.129 0.371 1.00 0.00 C ATOM 1186 C GLU A3311 -14.642 -4.443 1.096 1.00 0.00 C ATOM 1187 O GLU A3311 -13.839 -5.093 1.757 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.600 -4.975 -1.139 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.636 -5.751 -1.956 1.00 0.00 C ATOM 1190 CD GLU A3311 -16.072 -7.126 -2.368 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.479 -7.807 -1.499 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -16.151 -7.500 -3.558 1.00 0.00 O ATOM 0 H GLU A3311 -17.395 -3.853 0.020 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.813 -6.179 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.654 -3.919 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.601 -5.320 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.546 -5.884 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.909 -5.181 -2.844 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.573 -3.111 0.980 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.532 -2.246 1.540 1.00 0.00 C ATOM 1201 C LEU A3312 -13.661 -2.017 3.043 1.00 0.00 C ATOM 1202 O LEU A3312 -12.720 -2.227 3.808 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.540 -0.863 0.854 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.764 -0.857 -0.669 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -14.500 0.417 -1.063 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -12.464 -1.077 -1.432 1.00 0.00 C ATOM 0 H LEU A3312 -15.278 -2.583 0.467 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.598 -2.777 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -14.319 -0.256 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.589 -0.373 1.062 1.00 0.00 H new ATOM 0 HG LEU A3312 -14.396 -1.700 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -14.661 0.426 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -15.462 0.454 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.904 1.284 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -12.665 -1.066 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.759 -0.283 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -12.037 -2.040 -1.153 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.839 -1.575 3.464 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.247 -1.296 4.823 1.00 0.00 C ATOM 1220 C LEU A3313 -14.977 -2.556 5.627 1.00 0.00 C ATOM 1221 O LEU A3313 -14.427 -2.466 6.725 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.744 -0.879 4.814 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.428 -0.672 6.182 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.891 -1.992 6.811 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.593 0.112 7.194 1.00 0.00 C ATOM 0 H LEU A3313 -15.593 -1.389 2.803 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.697 -0.472 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.833 0.049 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.303 -1.639 4.269 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.300 -0.061 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.365 -1.791 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.606 -2.480 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -17.031 -2.645 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.149 0.211 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.659 -0.417 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.374 1.103 6.796 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.279 -3.725 5.063 1.00 0.00 N ATOM 1238 CA ALA A3314 -15.050 -4.956 5.797 1.00 0.00 C ATOM 1239 C ALA A3314 -13.561 -5.196 6.081 1.00 0.00 C ATOM 1240 O ALA A3314 -13.227 -5.795 7.099 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.671 -6.113 5.028 1.00 0.00 C ATOM 0 H ALA A3314 -15.671 -3.840 4.128 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.528 -4.875 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.504 -7.043 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.742 -5.944 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.212 -6.182 4.042 1.00 0.00 H new ATOM 1247 N MET A3315 -12.647 -4.685 5.250 1.00 0.00 N ATOM 1248 CA MET A3315 -11.205 -4.882 5.436 1.00 0.00 C ATOM 1249 C MET A3315 -10.661 -3.951 6.512 1.00 0.00 C ATOM 1250 O MET A3315 -10.025 -4.371 7.479 1.00 0.00 O ATOM 1251 CB MET A3315 -10.422 -4.582 4.143 1.00 0.00 C ATOM 1252 CG MET A3315 -11.036 -5.162 2.875 1.00 0.00 C ATOM 1253 SD MET A3315 -9.975 -6.364 2.029 1.00 0.00 S ATOM 1254 CE MET A3315 -10.964 -6.650 0.542 1.00 0.00 C ATOM 0 H MET A3315 -12.885 -4.125 4.432 1.00 0.00 H new ATOM 0 HA MET A3315 -11.075 -5.925 5.724 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.339 -3.501 4.028 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.409 -4.970 4.250 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.982 -5.641 3.127 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.265 -4.347 2.188 1.00 0.00 H new ATOM 0 HE1 MET A3315 -10.457 -7.371 -0.099 1.00 0.00 H new ATOM 0 HE2 MET A3315 -11.942 -7.041 0.825 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.090 -5.711 0.003 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.885 -2.646 6.335 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.420 -1.622 7.265 1.00 0.00 C ATOM 1266 C LEU A3316 -11.029 -1.804 8.645 1.00 0.00 C ATOM 1267 O LEU A3316 -10.334 -1.547 9.627 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.659 -0.207 6.717 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.115 0.081 6.294 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.960 0.742 7.393 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.151 1.030 5.096 1.00 0.00 C ATOM 0 H LEU A3316 -11.397 -2.272 5.537 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.342 -1.745 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.365 0.517 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -10.007 -0.049 5.858 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.534 -0.898 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.970 0.913 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -13.000 0.088 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.511 1.694 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.186 1.220 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.669 1.971 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.623 0.577 4.257 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.286 -2.244 8.731 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.930 -2.445 10.025 1.00 0.00 C ATOM 1285 C ASN A3317 -12.608 -3.827 10.583 1.00 0.00 C ATOM 1286 O ASN A3317 -12.567 -4.009 11.798 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.451 -2.302 9.900 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.018 -1.554 11.090 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -14.731 -1.841 12.250 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.781 -0.521 10.798 1.00 0.00 N ATOM 0 H ASN A3317 -12.872 -2.466 7.926 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.547 -1.683 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.697 -1.772 8.980 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.910 -3.288 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.152 0.067 11.545 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -16.001 -0.309 9.825 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.315 -4.766 9.685 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.994 -6.153 9.991 1.00 0.00 C ATOM 1299 C GLY A3318 -13.276 -6.840 10.440 1.00 0.00 C ATOM 1300 O GLY A3318 -13.403 -7.203 11.613 1.00 0.00 O ATOM 0 H GLY A3318 -12.295 -4.570 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.580 -6.652 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.238 -6.206 10.774 1.00 0.00 H new