USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 454 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 23 ASN : amide:sc= -1.09 X(o=-22,f=-23!) USER MOD Set 1.2: A 26 GLN : amide:sc= -14! C(o=-22!,f=-12!) USER MOD Set 1.3: A 55 GLN : amide:sc= -7.34! C(o=-22!,f=-17!) USER MOD Set 2.1: A 21 ASN : amide:sc= -4.81! K(o=-7.9!,f=-2.3) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.07! C(o=-7.9!,f=-3.9!) USER MOD Single : A 1 VAL N :NH3+ 180:sc= -0.582 (180deg=-0.582) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= -0.0153 (180deg=-0.0311) USER MOD Single : A 6 ASN : amide:sc= -2.94 K(o=-2.9,f=-0.57) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -1.12 (180deg=-3.02!) USER MOD Single : A 13 THR OG1 : rot 87:sc= 0.731 USER MOD Single : A 18 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.954 (180deg=-0.954) USER MOD Single : A 33 SER OG : rot -26:sc= -4.16! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.062) USER MOD Single : A 41 SER OG : rot -87:sc= 0.575 USER MOD Single : A 43 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1!) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -5.16! (180deg=-6.85!) USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 1.03 (180deg=-0.123) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.62 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.304 -20.944 7.735 1.00 0.00 N ATOM 2 CA VAL A 1 8.685 -20.878 9.176 1.00 0.00 C ATOM 3 C VAL A 1 9.200 -19.474 9.499 1.00 0.00 C ATOM 4 O VAL A 1 8.956 -18.950 10.589 1.00 0.00 O ATOM 5 CB VAL A 1 9.763 -21.943 9.470 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.037 -21.662 8.654 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.106 -21.940 10.968 1.00 0.00 C ATOM 0 H1 VAL A 1 7.953 -21.897 7.512 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.558 -20.246 7.541 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.135 -20.734 7.146 1.00 0.00 H new ATOM 0 HA VAL A 1 7.818 -21.082 9.804 1.00 0.00 H new ATOM 0 HB VAL A 1 9.369 -22.919 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.786 -22.423 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.800 -21.684 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.429 -20.680 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.867 -22.694 11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.484 -20.958 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.210 -22.166 11.547 1.00 0.00 H new ATOM 19 N ASP A 2 9.909 -18.876 8.542 1.00 0.00 N ATOM 20 CA ASP A 2 10.460 -17.533 8.717 1.00 0.00 C ATOM 21 C ASP A 2 9.357 -16.478 8.650 1.00 0.00 C ATOM 22 O ASP A 2 8.302 -16.705 8.052 1.00 0.00 O ATOM 23 CB ASP A 2 11.504 -17.255 7.626 1.00 0.00 C ATOM 24 CG ASP A 2 10.890 -17.482 6.243 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.236 -16.577 5.748 1.00 0.00 O ATOM 26 OD2 ASP A 2 11.078 -18.558 5.702 1.00 0.00 O ATOM 0 H ASP A 2 10.115 -19.301 7.638 1.00 0.00 H new ATOM 0 HA ASP A 2 10.930 -17.480 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.864 -16.230 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.366 -17.908 7.762 1.00 0.00 H new ATOM 31 N ASN A 3 9.621 -15.323 9.261 1.00 0.00 N ATOM 32 CA ASN A 3 8.665 -14.215 9.273 1.00 0.00 C ATOM 33 C ASN A 3 9.291 -12.972 8.633 1.00 0.00 C ATOM 34 O ASN A 3 8.894 -11.841 8.925 1.00 0.00 O ATOM 35 CB ASN A 3 8.243 -13.907 10.718 1.00 0.00 C ATOM 36 CG ASN A 3 7.594 -15.136 11.357 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.852 -15.867 10.698 1.00 0.00 O ATOM 38 ND2 ASN A 3 7.829 -15.405 12.610 1.00 0.00 N ATOM 0 H ASN A 3 10.492 -15.130 9.756 1.00 0.00 H new ATOM 0 HA ASN A 3 7.784 -14.500 8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.113 -13.603 11.301 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.543 -13.071 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.399 -16.221 13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.443 -14.800 13.155 1.00 0.00 H new ATOM 45 N LYS A 4 10.284 -13.197 7.768 1.00 0.00 N ATOM 46 CA LYS A 4 10.988 -12.101 7.099 1.00 0.00 C ATOM 47 C LYS A 4 10.149 -11.461 5.991 1.00 0.00 C ATOM 48 O LYS A 4 10.556 -10.459 5.397 1.00 0.00 O ATOM 49 CB LYS A 4 12.317 -12.613 6.523 1.00 0.00 C ATOM 50 CG LYS A 4 12.051 -13.611 5.384 1.00 0.00 C ATOM 51 CD LYS A 4 13.374 -14.237 4.919 1.00 0.00 C ATOM 52 CE LYS A 4 13.153 -15.021 3.619 1.00 0.00 C ATOM 53 NZ LYS A 4 12.408 -16.278 3.915 1.00 0.00 N ATOM 0 H LYS A 4 10.618 -14.127 7.515 1.00 0.00 H new ATOM 0 HA LYS A 4 11.179 -11.330 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.908 -11.776 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.901 -13.093 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.369 -14.391 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.566 -13.104 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.119 -13.458 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.764 -14.900 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.594 -14.414 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.112 -15.255 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.274 -16.817 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.950 -16.851 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.480 -16.044 4.323 1.00 0.00 H new ATOM 67 N PHE A 5 8.981 -12.038 5.723 1.00 0.00 N ATOM 68 CA PHE A 5 8.092 -11.512 4.688 1.00 0.00 C ATOM 69 C PHE A 5 7.568 -10.126 5.075 1.00 0.00 C ATOM 70 O PHE A 5 7.030 -9.399 4.241 1.00 0.00 O ATOM 71 CB PHE A 5 6.918 -12.476 4.469 1.00 0.00 C ATOM 72 CG PHE A 5 5.994 -12.455 5.672 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.358 -13.123 6.848 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.771 -11.774 5.605 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.500 -13.110 7.953 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.915 -11.761 6.711 1.00 0.00 C ATOM 77 CZ PHE A 5 4.279 -12.429 7.885 1.00 0.00 C ATOM 0 H PHE A 5 8.628 -12.865 6.204 1.00 0.00 H new ATOM 0 HA PHE A 5 8.658 -11.418 3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.367 -12.192 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.293 -13.487 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.300 -13.648 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.489 -11.259 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.780 -13.626 8.859 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.973 -11.235 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.618 -12.419 8.739 1.00 0.00 H new ATOM 87 N ASN A 6 7.740 -9.784 6.353 1.00 0.00 N ATOM 88 CA ASN A 6 7.299 -8.494 6.888 1.00 0.00 C ATOM 89 C ASN A 6 7.893 -7.334 6.088 1.00 0.00 C ATOM 90 O ASN A 6 7.298 -6.259 6.002 1.00 0.00 O ATOM 91 CB ASN A 6 7.729 -8.361 8.351 1.00 0.00 C ATOM 92 CG ASN A 6 7.062 -9.429 9.224 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.287 -9.465 10.433 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.256 -10.306 8.690 1.00 0.00 N ATOM 0 H ASN A 6 8.186 -10.389 7.043 1.00 0.00 H new ATOM 0 HA ASN A 6 6.212 -8.454 6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.813 -8.453 8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.467 -7.370 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.816 -11.017 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.066 -10.281 7.688 1.00 0.00 H new ATOM 101 N LYS A 7 9.076 -7.563 5.518 1.00 0.00 N ATOM 102 CA LYS A 7 9.767 -6.543 4.735 1.00 0.00 C ATOM 103 C LYS A 7 8.882 -6.021 3.607 1.00 0.00 C ATOM 104 O LYS A 7 8.861 -4.823 3.328 1.00 0.00 O ATOM 105 CB LYS A 7 11.050 -7.143 4.149 1.00 0.00 C ATOM 106 CG LYS A 7 11.865 -6.062 3.421 1.00 0.00 C ATOM 107 CD LYS A 7 13.085 -6.700 2.739 1.00 0.00 C ATOM 108 CE LYS A 7 12.702 -7.224 1.345 1.00 0.00 C ATOM 109 NZ LYS A 7 11.919 -8.487 1.474 1.00 0.00 N ATOM 0 H LYS A 7 9.576 -8.450 5.585 1.00 0.00 H new ATOM 0 HA LYS A 7 10.009 -5.706 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.649 -7.584 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.800 -7.946 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.242 -5.562 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.190 -5.300 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.887 -5.967 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.466 -7.518 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.115 -6.475 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.601 -7.402 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.166 -9.130 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.142 -8.942 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.902 -8.271 1.435 1.00 0.00 H new ATOM 123 N GLU A 8 8.162 -6.934 2.973 1.00 0.00 N ATOM 124 CA GLU A 8 7.271 -6.583 1.865 1.00 0.00 C ATOM 125 C GLU A 8 6.146 -5.668 2.330 1.00 0.00 C ATOM 126 O GLU A 8 5.674 -4.814 1.577 1.00 0.00 O ATOM 127 CB GLU A 8 6.674 -7.846 1.232 1.00 0.00 C ATOM 128 CG GLU A 8 7.784 -8.679 0.571 1.00 0.00 C ATOM 129 CD GLU A 8 8.304 -9.735 1.546 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.716 -10.802 1.597 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.279 -9.459 2.227 1.00 0.00 O ATOM 0 H GLU A 8 8.174 -7.927 3.204 1.00 0.00 H new ATOM 0 HA GLU A 8 7.866 -6.053 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.167 -8.439 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.924 -7.571 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.400 -9.161 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.601 -8.028 0.259 1.00 0.00 H new ATOM 138 N LEU A 9 5.719 -5.857 3.570 1.00 0.00 N ATOM 139 CA LEU A 9 4.647 -5.048 4.130 1.00 0.00 C ATOM 140 C LEU A 9 5.126 -3.628 4.366 1.00 0.00 C ATOM 141 O LEU A 9 4.380 -2.680 4.144 1.00 0.00 O ATOM 142 CB LEU A 9 4.133 -5.642 5.451 1.00 0.00 C ATOM 143 CG LEU A 9 3.382 -6.954 5.186 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.366 -8.026 4.709 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.699 -7.424 6.477 1.00 0.00 C ATOM 0 H LEU A 9 6.097 -6.560 4.205 1.00 0.00 H new ATOM 0 HA LEU A 9 3.828 -5.041 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.969 -5.823 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.472 -4.930 5.946 1.00 0.00 H new ATOM 0 HG LEU A 9 2.629 -6.788 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.829 -8.956 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.848 -7.694 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.123 -8.192 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.166 -8.356 6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.452 -7.587 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.994 -6.664 6.813 1.00 0.00 H new ATOM 157 N GLY A 10 6.390 -3.486 4.774 1.00 0.00 N ATOM 158 CA GLY A 10 6.959 -2.170 4.994 1.00 0.00 C ATOM 159 C GLY A 10 7.247 -1.560 3.649 1.00 0.00 C ATOM 160 O GLY A 10 7.158 -0.347 3.458 1.00 0.00 O ATOM 0 H GLY A 10 7.027 -4.262 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.266 -1.544 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.873 -2.243 5.583 1.00 0.00 H new ATOM 164 N TRP A 11 7.582 -2.449 2.716 1.00 0.00 N ATOM 165 CA TRP A 11 7.890 -2.064 1.365 1.00 0.00 C ATOM 166 C TRP A 11 6.692 -1.407 0.705 1.00 0.00 C ATOM 167 O TRP A 11 6.783 -0.303 0.175 1.00 0.00 O ATOM 168 CB TRP A 11 8.269 -3.310 0.572 1.00 0.00 C ATOM 169 CG TRP A 11 8.931 -2.881 -0.672 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.170 -2.390 -0.717 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.420 -2.878 -2.029 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.472 -2.069 -2.029 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.422 -2.365 -2.878 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.197 -3.272 -2.598 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.222 -2.245 -4.252 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.989 -3.154 -3.981 1.00 0.00 C ATOM 177 CH2 TRP A 11 8.001 -2.643 -4.808 1.00 0.00 C ATOM 0 H TRP A 11 7.644 -3.452 2.888 1.00 0.00 H new ATOM 0 HA TRP A 11 8.715 -1.352 1.382 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.934 -3.945 1.157 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.382 -3.901 0.346 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.828 -2.264 0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.358 -1.665 -2.332 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.414 -3.667 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.003 -1.848 -4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.046 -3.458 -4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.838 -2.557 -5.872 1.00 0.00 H new ATOM 188 N ALA A 12 5.567 -2.099 0.755 1.00 0.00 N ATOM 189 CA ALA A 12 4.349 -1.584 0.171 1.00 0.00 C ATOM 190 C ALA A 12 3.824 -0.388 0.955 1.00 0.00 C ATOM 191 O ALA A 12 3.198 0.498 0.389 1.00 0.00 O ATOM 192 CB ALA A 12 3.293 -2.672 0.111 1.00 0.00 C ATOM 0 H ALA A 12 5.475 -3.015 1.193 1.00 0.00 H new ATOM 0 HA ALA A 12 4.577 -1.252 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.381 -2.270 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.657 -3.499 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.081 -3.029 1.119 1.00 0.00 H new ATOM 198 N THR A 13 4.067 -0.373 2.267 1.00 0.00 N ATOM 199 CA THR A 13 3.579 0.721 3.094 1.00 0.00 C ATOM 200 C THR A 13 4.159 2.025 2.614 1.00 0.00 C ATOM 201 O THR A 13 3.427 2.989 2.418 1.00 0.00 O ATOM 202 CB THR A 13 3.926 0.498 4.578 1.00 0.00 C ATOM 203 OG1 THR A 13 3.219 -0.633 5.058 1.00 0.00 O ATOM 204 CG2 THR A 13 3.539 1.730 5.416 1.00 0.00 C ATOM 0 H THR A 13 4.589 -1.093 2.768 1.00 0.00 H new ATOM 0 HA THR A 13 2.493 0.756 3.006 1.00 0.00 H new ATOM 0 HB THR A 13 5.000 0.336 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.735 -1.445 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.792 1.553 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.083 2.602 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.467 1.908 5.327 1.00 0.00 H new ATOM 212 N TRP A 14 5.471 2.035 2.406 1.00 0.00 N ATOM 213 CA TRP A 14 6.144 3.226 1.933 1.00 0.00 C ATOM 214 C TRP A 14 5.762 3.515 0.469 1.00 0.00 C ATOM 215 O TRP A 14 5.594 4.675 0.101 1.00 0.00 O ATOM 216 CB TRP A 14 7.663 3.094 2.184 1.00 0.00 C ATOM 217 CG TRP A 14 8.337 2.260 1.149 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.911 1.063 1.385 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.543 2.539 -0.260 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.406 0.564 0.201 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.202 1.436 -0.839 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.205 3.619 -1.087 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.506 1.405 -2.186 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.510 3.591 -2.444 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.154 2.484 -2.990 1.00 0.00 C ATOM 0 H TRP A 14 6.082 1.233 2.558 1.00 0.00 H new ATOM 0 HA TRP A 14 5.816 4.101 2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.114 4.086 2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.830 2.654 3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.973 0.575 2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.867 -0.341 0.108 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.704 4.479 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.012 0.551 -2.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.247 4.428 -3.074 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.382 2.463 -4.045 1.00 0.00 H new ATOM 236 N GLU A 15 5.588 2.459 -0.355 1.00 0.00 N ATOM 237 CA GLU A 15 5.196 2.630 -1.761 1.00 0.00 C ATOM 238 C GLU A 15 3.879 3.385 -1.868 1.00 0.00 C ATOM 239 O GLU A 15 3.737 4.337 -2.638 1.00 0.00 O ATOM 240 CB GLU A 15 4.958 1.244 -2.361 1.00 0.00 C ATOM 241 CG GLU A 15 6.262 0.528 -2.687 1.00 0.00 C ATOM 242 CD GLU A 15 6.822 0.973 -4.050 1.00 0.00 C ATOM 243 OE1 GLU A 15 6.373 1.983 -4.578 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.707 0.301 -4.543 1.00 0.00 O ATOM 0 H GLU A 15 5.713 1.488 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 15 5.983 3.180 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.379 0.641 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.361 1.340 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.995 0.732 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.095 -0.549 -2.695 1.00 0.00 H new ATOM 251 N ILE A 16 2.935 2.932 -1.075 1.00 0.00 N ATOM 252 CA ILE A 16 1.602 3.507 -1.011 1.00 0.00 C ATOM 253 C ILE A 16 1.680 4.881 -0.376 1.00 0.00 C ATOM 254 O ILE A 16 1.102 5.845 -0.867 1.00 0.00 O ATOM 255 CB ILE A 16 0.767 2.508 -0.207 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.775 1.211 -1.029 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.678 2.995 0.047 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.060 0.111 -0.275 1.00 0.00 C ATOM 0 H ILE A 16 3.069 2.141 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 16 1.143 3.661 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 16 1.193 2.371 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.289 1.378 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.802 0.911 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.220 2.244 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.654 3.931 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.181 3.155 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.072 -0.804 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.564 -0.066 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.972 0.409 -0.089 1.00 0.00 H new ATOM 270 N PHE A 17 2.442 4.958 0.696 1.00 0.00 N ATOM 271 CA PHE A 17 2.650 6.226 1.395 1.00 0.00 C ATOM 272 C PHE A 17 3.369 7.251 0.510 1.00 0.00 C ATOM 273 O PHE A 17 3.332 8.450 0.792 1.00 0.00 O ATOM 274 CB PHE A 17 3.500 5.995 2.647 1.00 0.00 C ATOM 275 CG PHE A 17 2.659 6.014 3.909 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.612 6.940 4.074 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.944 5.097 4.926 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.862 6.936 5.257 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.191 5.092 6.100 1.00 0.00 C ATOM 280 CZ PHE A 17 1.150 6.011 6.269 1.00 0.00 C ATOM 0 H PHE A 17 2.930 4.163 1.108 1.00 0.00 H new ATOM 0 HA PHE A 17 1.667 6.615 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.013 5.037 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.270 6.764 2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.388 7.650 3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.751 4.390 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.060 7.647 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.412 4.378 6.879 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.569 6.007 7.179 1.00 0.00 H new ATOM 290 N ASN A 18 4.025 6.772 -0.547 1.00 0.00 N ATOM 291 CA ASN A 18 4.760 7.652 -1.456 1.00 0.00 C ATOM 292 C ASN A 18 3.828 8.215 -2.523 1.00 0.00 C ATOM 293 O ASN A 18 4.277 8.668 -3.580 1.00 0.00 O ATOM 294 CB ASN A 18 5.926 6.885 -2.107 1.00 0.00 C ATOM 295 CG ASN A 18 7.162 6.924 -1.206 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.288 6.906 -1.700 1.00 0.00 O ATOM 297 ND2 ASN A 18 7.020 6.974 0.092 1.00 0.00 N ATOM 0 H ASN A 18 4.063 5.783 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 18 5.167 8.486 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.633 5.851 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.161 7.324 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.843 6.998 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.086 6.989 0.503 1.00 0.00 H new ATOM 304 N LEU A 19 2.528 8.195 -2.232 1.00 0.00 N ATOM 305 CA LEU A 19 1.546 8.711 -3.161 1.00 0.00 C ATOM 306 C LEU A 19 1.260 10.161 -2.850 1.00 0.00 C ATOM 307 O LEU A 19 1.059 10.517 -1.686 1.00 0.00 O ATOM 308 CB LEU A 19 0.263 7.891 -3.095 1.00 0.00 C ATOM 309 CG LEU A 19 0.468 6.538 -3.793 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.873 5.863 -4.051 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.173 6.732 -5.124 1.00 0.00 C ATOM 0 H LEU A 19 2.140 7.827 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 19 1.946 8.637 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.025 7.733 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.552 8.436 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 19 1.076 5.913 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.709 4.906 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.386 5.698 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.485 6.501 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.311 5.765 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.570 7.375 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.145 7.196 -4.957 1.00 0.00 H new ATOM 323 N PRO A 20 1.278 11.019 -3.844 1.00 0.00 N ATOM 324 CA PRO A 20 1.062 12.458 -3.620 1.00 0.00 C ATOM 325 C PRO A 20 -0.391 12.866 -3.350 1.00 0.00 C ATOM 326 O PRO A 20 -0.653 14.064 -3.209 1.00 0.00 O ATOM 327 CB PRO A 20 1.574 13.139 -4.903 1.00 0.00 C ATOM 328 CG PRO A 20 2.054 12.053 -5.813 1.00 0.00 C ATOM 329 CD PRO A 20 1.507 10.735 -5.273 1.00 0.00 C ATOM 0 HA PRO A 20 1.587 12.760 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.780 13.716 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.381 13.835 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.707 12.224 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.143 12.032 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.585 10.446 -5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.216 9.919 -5.412 1.00 0.00 H new ATOM 337 N ASN A 21 -1.346 11.917 -3.306 1.00 0.00 N ATOM 338 CA ASN A 21 -2.736 12.302 -3.088 1.00 0.00 C ATOM 339 C ASN A 21 -3.387 11.530 -1.944 1.00 0.00 C ATOM 340 O ASN A 21 -4.513 11.838 -1.571 1.00 0.00 O ATOM 341 CB ASN A 21 -3.513 12.079 -4.387 1.00 0.00 C ATOM 342 CG ASN A 21 -2.931 12.930 -5.516 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.558 14.083 -5.305 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.846 12.430 -6.715 1.00 0.00 N ATOM 0 H ASN A 21 -1.182 10.916 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.757 13.354 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.476 11.025 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.562 12.333 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.471 12.994 -7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.155 11.474 -6.892 1.00 0.00 H new ATOM 351 N LEU A 22 -2.690 10.543 -1.376 1.00 0.00 N ATOM 352 CA LEU A 22 -3.254 9.770 -0.278 1.00 0.00 C ATOM 353 C LEU A 22 -3.298 10.548 1.020 1.00 0.00 C ATOM 354 O LEU A 22 -2.578 11.529 1.215 1.00 0.00 O ATOM 355 CB LEU A 22 -2.420 8.529 0.010 1.00 0.00 C ATOM 356 CG LEU A 22 -2.471 7.518 -1.132 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.703 6.255 -0.712 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.918 7.138 -1.418 1.00 0.00 C ATOM 0 H LEU A 22 -1.749 10.267 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.262 9.514 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.385 8.822 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.778 8.058 0.925 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.025 7.956 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.733 5.525 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.667 6.514 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.164 5.828 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.950 6.416 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.362 6.697 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.479 8.029 -1.700 1.00 0.00 H new ATOM 370 N ASN A 23 -4.111 10.022 1.923 1.00 0.00 N ATOM 371 CA ASN A 23 -4.249 10.551 3.262 1.00 0.00 C ATOM 372 C ASN A 23 -4.013 9.389 4.225 1.00 0.00 C ATOM 373 O ASN A 23 -4.138 8.223 3.834 1.00 0.00 O ATOM 374 CB ASN A 23 -5.642 11.165 3.460 1.00 0.00 C ATOM 375 CG ASN A 23 -6.723 10.187 3.015 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.829 9.099 3.563 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.530 10.512 2.045 1.00 0.00 N ATOM 0 H ASN A 23 -4.697 9.208 1.740 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.528 11.348 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.786 11.424 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.723 12.090 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.252 9.858 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.440 11.420 1.589 1.00 0.00 H new ATOM 384 N GLY A 24 -3.651 9.702 5.461 1.00 0.00 N ATOM 385 CA GLY A 24 -3.373 8.677 6.466 1.00 0.00 C ATOM 386 C GLY A 24 -4.452 7.594 6.511 1.00 0.00 C ATOM 387 O GLY A 24 -4.168 6.462 6.882 1.00 0.00 O ATOM 0 H GLY A 24 -3.542 10.659 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.409 8.216 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.292 9.146 7.447 1.00 0.00 H new ATOM 391 N VAL A 25 -5.684 7.943 6.135 1.00 0.00 N ATOM 392 CA VAL A 25 -6.784 6.977 6.150 1.00 0.00 C ATOM 393 C VAL A 25 -6.664 5.973 5.001 1.00 0.00 C ATOM 394 O VAL A 25 -6.770 4.763 5.218 1.00 0.00 O ATOM 395 CB VAL A 25 -8.131 7.711 6.065 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.278 6.692 6.117 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.256 8.681 7.246 1.00 0.00 C ATOM 0 H VAL A 25 -5.944 8.878 5.819 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.730 6.424 7.088 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.183 8.266 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.232 7.215 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.189 6.001 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.228 6.135 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.211 9.203 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.203 8.124 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.443 9.406 7.209 1.00 0.00 H new ATOM 407 N GLN A 26 -6.459 6.479 3.782 1.00 0.00 N ATOM 408 CA GLN A 26 -6.349 5.626 2.608 1.00 0.00 C ATOM 409 C GLN A 26 -5.091 4.790 2.640 1.00 0.00 C ATOM 410 O GLN A 26 -5.140 3.590 2.366 1.00 0.00 O ATOM 411 CB GLN A 26 -6.385 6.493 1.355 1.00 0.00 C ATOM 412 CG GLN A 26 -7.784 7.104 1.232 1.00 0.00 C ATOM 413 CD GLN A 26 -7.914 7.943 -0.036 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.908 8.646 -0.211 1.00 0.00 O ATOM 415 NE2 GLN A 26 -6.983 7.902 -0.943 1.00 0.00 N ATOM 0 H GLN A 26 -6.367 7.476 3.588 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.192 4.935 2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.632 7.279 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.153 5.896 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.530 6.310 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.990 7.725 2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.158 7.320 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.078 8.452 -1.797 1.00 0.00 H new ATOM 424 N VAL A 27 -3.969 5.410 2.987 1.00 0.00 N ATOM 425 CA VAL A 27 -2.719 4.672 3.048 1.00 0.00 C ATOM 426 C VAL A 27 -2.848 3.543 4.050 1.00 0.00 C ATOM 427 O VAL A 27 -2.580 2.398 3.726 1.00 0.00 O ATOM 428 CB VAL A 27 -1.572 5.591 3.475 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.269 4.783 3.465 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.464 6.767 2.500 1.00 0.00 C ATOM 0 H VAL A 27 -3.901 6.399 3.225 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.503 4.272 2.058 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.758 5.981 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.559 5.424 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.354 3.948 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.085 4.402 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.647 7.420 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.271 6.390 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.398 7.329 2.503 1.00 0.00 H new ATOM 440 N LYS A 28 -3.303 3.889 5.251 1.00 0.00 N ATOM 441 CA LYS A 28 -3.503 2.920 6.324 1.00 0.00 C ATOM 442 C LYS A 28 -4.404 1.806 5.859 1.00 0.00 C ATOM 443 O LYS A 28 -4.202 0.663 6.232 1.00 0.00 O ATOM 444 CB LYS A 28 -4.108 3.580 7.570 1.00 0.00 C ATOM 445 CG LYS A 28 -3.017 4.319 8.371 1.00 0.00 C ATOM 446 CD LYS A 28 -2.023 3.324 9.012 1.00 0.00 C ATOM 447 CE LYS A 28 -2.764 2.260 9.839 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.969 1.035 9.010 1.00 0.00 N ATOM 0 H LYS A 28 -3.543 4.847 5.507 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.526 2.515 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.889 4.281 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.579 2.823 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.479 5.002 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.481 4.925 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.435 2.839 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.323 3.864 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.190 2.015 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.725 2.650 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.470 0.316 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.533 1.275 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.046 0.660 8.711 1.00 0.00 H new ATOM 462 N ALA A 29 -5.376 2.141 5.024 1.00 0.00 N ATOM 463 CA ALA A 29 -6.280 1.144 4.491 1.00 0.00 C ATOM 464 C ALA A 29 -5.479 0.148 3.671 1.00 0.00 C ATOM 465 O ALA A 29 -5.674 -1.064 3.777 1.00 0.00 O ATOM 466 CB ALA A 29 -7.329 1.814 3.615 1.00 0.00 C ATOM 0 H ALA A 29 -5.555 3.093 4.704 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.785 0.627 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.007 1.059 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.895 2.532 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.838 2.332 2.791 1.00 0.00 H new ATOM 472 N PHE A 30 -4.546 0.674 2.874 1.00 0.00 N ATOM 473 CA PHE A 30 -3.695 -0.150 2.078 1.00 0.00 C ATOM 474 C PHE A 30 -2.670 -0.812 2.986 1.00 0.00 C ATOM 475 O PHE A 30 -2.347 -1.983 2.817 1.00 0.00 O ATOM 476 CB PHE A 30 -3.068 0.691 0.976 1.00 0.00 C ATOM 477 CG PHE A 30 -4.182 1.319 0.162 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.212 0.512 -0.348 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.214 2.704 -0.061 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.254 1.083 -1.068 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.257 3.267 -0.786 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.276 2.457 -1.290 1.00 0.00 C ATOM 0 H PHE A 30 -4.376 1.675 2.777 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.255 -0.945 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.430 1.463 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.436 0.072 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.194 -0.555 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.428 3.332 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.047 0.461 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.279 4.333 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.084 2.898 -1.854 1.00 0.00 H new ATOM 492 N ILE A 31 -2.210 -0.069 3.998 1.00 0.00 N ATOM 493 CA ILE A 31 -1.279 -0.629 4.965 1.00 0.00 C ATOM 494 C ILE A 31 -2.000 -1.774 5.684 1.00 0.00 C ATOM 495 O ILE A 31 -1.392 -2.784 6.039 1.00 0.00 O ATOM 496 CB ILE A 31 -0.802 0.414 6.014 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.282 1.740 5.378 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.333 -0.201 6.840 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.313 1.527 3.992 1.00 0.00 C ATOM 0 H ILE A 31 -2.466 0.905 4.162 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.390 -0.971 4.435 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.667 0.665 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.103 2.454 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.472 2.181 6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.677 0.521 7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.029 -1.095 7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.160 -0.467 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.660 2.481 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.153 0.835 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.447 1.113 3.330 1.00 0.00 H new ATOM 511 N ASP A 32 -3.318 -1.598 5.880 1.00 0.00 N ATOM 512 CA ASP A 32 -4.136 -2.612 6.538 1.00 0.00 C ATOM 513 C ASP A 32 -4.287 -3.833 5.641 1.00 0.00 C ATOM 514 O ASP A 32 -4.155 -4.970 6.100 1.00 0.00 O ATOM 515 CB ASP A 32 -5.521 -2.039 6.900 1.00 0.00 C ATOM 516 CG ASP A 32 -5.417 -1.045 8.068 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.623 -1.281 8.968 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.137 -0.061 8.046 1.00 0.00 O ATOM 0 H ASP A 32 -3.831 -0.765 5.591 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.637 -2.914 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.951 -1.541 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.196 -2.852 7.168 1.00 0.00 H new ATOM 523 N SER A 33 -4.541 -3.583 4.358 1.00 0.00 N ATOM 524 CA SER A 33 -4.691 -4.661 3.386 1.00 0.00 C ATOM 525 C SER A 33 -3.384 -5.450 3.271 1.00 0.00 C ATOM 526 O SER A 33 -3.394 -6.653 3.008 1.00 0.00 O ATOM 527 CB SER A 33 -5.094 -4.078 2.030 1.00 0.00 C ATOM 528 OG SER A 33 -4.021 -3.321 1.498 1.00 0.00 O ATOM 0 H SER A 33 -4.647 -2.646 3.969 1.00 0.00 H new ATOM 0 HA SER A 33 -5.473 -5.343 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.361 -4.881 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.976 -3.448 2.142 1.00 0.00 H new ATOM 0 HG SER A 33 -3.460 -2.990 2.230 1.00 0.00 H new ATOM 534 N LEU A 34 -2.261 -4.752 3.483 1.00 0.00 N ATOM 535 CA LEU A 34 -0.934 -5.375 3.421 1.00 0.00 C ATOM 536 C LEU A 34 -0.840 -6.529 4.418 1.00 0.00 C ATOM 537 O LEU A 34 -0.411 -7.630 4.080 1.00 0.00 O ATOM 538 CB LEU A 34 0.145 -4.332 3.808 1.00 0.00 C ATOM 539 CG LEU A 34 1.142 -4.073 2.675 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.555 -5.383 1.996 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.481 -3.117 1.684 1.00 0.00 C ATOM 0 H LEU A 34 -2.246 -3.755 3.699 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.777 -5.743 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.341 -3.395 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.684 -4.681 4.689 1.00 0.00 H new ATOM 0 HG LEU A 34 2.055 -3.627 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.263 -5.170 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.022 -6.041 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.673 -5.871 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.168 -2.912 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.429 -3.571 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.232 -2.184 2.190 1.00 0.00 H new ATOM 553 N ARG A 35 -1.243 -6.246 5.652 1.00 0.00 N ATOM 554 CA ARG A 35 -1.213 -7.236 6.730 1.00 0.00 C ATOM 555 C ARG A 35 -2.172 -8.370 6.423 1.00 0.00 C ATOM 556 O ARG A 35 -1.861 -9.548 6.608 1.00 0.00 O ATOM 557 CB ARG A 35 -1.674 -6.579 8.023 1.00 0.00 C ATOM 558 CG ARG A 35 -0.784 -5.387 8.362 1.00 0.00 C ATOM 559 CD ARG A 35 -1.362 -4.692 9.589 1.00 0.00 C ATOM 560 NE ARG A 35 -2.518 -3.878 9.224 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.744 -4.187 9.641 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.132 -3.837 10.832 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.561 -4.831 8.854 1.00 0.00 N ATOM 0 H ARG A 35 -1.597 -5.332 5.935 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.197 -7.619 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.709 -6.251 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.647 -7.304 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.236 -5.718 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.738 -4.696 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.654 -5.436 10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.600 -4.064 10.050 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.383 -3.055 8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.497 -3.326 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.071 -4.073 11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.261 -5.099 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.500 -5.067 9.176 1.00 0.00 H new ATOM 577 N ASP A 36 -3.344 -7.968 5.959 1.00 0.00 N ATOM 578 CA ASP A 36 -4.410 -8.897 5.609 1.00 0.00 C ATOM 579 C ASP A 36 -3.942 -9.847 4.514 1.00 0.00 C ATOM 580 O ASP A 36 -4.282 -11.032 4.510 1.00 0.00 O ATOM 581 CB ASP A 36 -5.632 -8.100 5.132 1.00 0.00 C ATOM 582 CG ASP A 36 -6.141 -7.148 6.228 1.00 0.00 C ATOM 583 OD1 ASP A 36 -5.902 -7.411 7.399 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.762 -6.159 5.875 1.00 0.00 O ATOM 0 H ASP A 36 -3.585 -6.988 5.814 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.679 -9.488 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.371 -7.527 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.428 -8.787 4.846 1.00 0.00 H new ATOM 589 N ASP A 37 -3.136 -9.308 3.612 1.00 0.00 N ATOM 590 CA ASP A 37 -2.570 -10.081 2.516 1.00 0.00 C ATOM 591 C ASP A 37 -1.388 -9.334 1.909 1.00 0.00 C ATOM 592 O ASP A 37 -1.560 -8.426 1.090 1.00 0.00 O ATOM 593 CB ASP A 37 -3.627 -10.383 1.440 1.00 0.00 C ATOM 594 CG ASP A 37 -3.212 -11.599 0.597 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.022 -11.769 0.357 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.093 -12.338 0.193 1.00 0.00 O ATOM 0 H ASP A 37 -2.857 -8.327 3.618 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.223 -11.034 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.590 -10.574 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.755 -9.514 0.795 1.00 0.00 H new ATOM 601 N PRO A 38 -0.195 -9.696 2.311 1.00 0.00 N ATOM 602 CA PRO A 38 1.050 -9.052 1.821 1.00 0.00 C ATOM 603 C PRO A 38 1.385 -9.406 0.377 1.00 0.00 C ATOM 604 O PRO A 38 2.116 -8.671 -0.293 1.00 0.00 O ATOM 605 CB PRO A 38 2.137 -9.545 2.778 1.00 0.00 C ATOM 606 CG PRO A 38 1.486 -10.431 3.789 1.00 0.00 C ATOM 607 CD PRO A 38 0.097 -10.767 3.277 1.00 0.00 C ATOM 0 HA PRO A 38 0.949 -7.967 1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.908 -10.089 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.627 -8.703 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.070 -11.339 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.427 -9.931 4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.073 -11.749 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.633 -10.785 4.086 1.00 0.00 H new ATOM 615 N SER A 39 0.838 -10.521 -0.103 1.00 0.00 N ATOM 616 CA SER A 39 1.076 -10.952 -1.476 1.00 0.00 C ATOM 617 C SER A 39 0.420 -9.978 -2.446 1.00 0.00 C ATOM 618 O SER A 39 0.749 -9.948 -3.633 1.00 0.00 O ATOM 619 CB SER A 39 0.512 -12.360 -1.690 1.00 0.00 C ATOM 620 OG SER A 39 0.926 -12.845 -2.962 1.00 0.00 O ATOM 0 H SER A 39 0.231 -11.138 0.436 1.00 0.00 H new ATOM 0 HA SER A 39 2.150 -10.970 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.861 -13.028 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.576 -12.341 -1.632 1.00 0.00 H new ATOM 0 HG SER A 39 0.568 -13.747 -3.101 1.00 0.00 H new ATOM 626 N GLN A 40 -0.527 -9.200 -1.921 1.00 0.00 N ATOM 627 CA GLN A 40 -1.260 -8.236 -2.727 1.00 0.00 C ATOM 628 C GLN A 40 -0.640 -6.857 -2.678 1.00 0.00 C ATOM 629 O GLN A 40 -1.179 -5.954 -3.289 1.00 0.00 O ATOM 630 CB GLN A 40 -2.715 -8.127 -2.236 1.00 0.00 C ATOM 631 CG GLN A 40 -3.295 -9.514 -1.955 1.00 0.00 C ATOM 632 CD GLN A 40 -3.200 -10.407 -3.191 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.590 -10.002 -4.287 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.704 -11.607 -3.077 1.00 0.00 N ATOM 0 H GLN A 40 -0.801 -9.222 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.224 -8.599 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.754 -7.521 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.321 -7.619 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.758 -9.976 -1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.337 -9.421 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.381 -11.941 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.638 -12.212 -3.896 1.00 0.00 H new ATOM 643 N SER A 41 0.473 -6.688 -1.959 1.00 0.00 N ATOM 644 CA SER A 41 1.102 -5.378 -1.812 1.00 0.00 C ATOM 645 C SER A 41 1.069 -4.559 -3.094 1.00 0.00 C ATOM 646 O SER A 41 0.753 -3.376 -3.050 1.00 0.00 O ATOM 647 CB SER A 41 2.564 -5.580 -1.405 1.00 0.00 C ATOM 648 OG SER A 41 3.114 -6.665 -2.142 1.00 0.00 O ATOM 0 H SER A 41 0.955 -7.443 -1.471 1.00 0.00 H new ATOM 0 HA SER A 41 0.541 -4.830 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.135 -4.671 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.631 -5.781 -0.336 1.00 0.00 H new ATOM 0 HG SER A 41 2.928 -7.506 -1.674 1.00 0.00 H new ATOM 654 N ALA A 42 1.354 -5.186 -4.225 1.00 0.00 N ATOM 655 CA ALA A 42 1.333 -4.486 -5.499 1.00 0.00 C ATOM 656 C ALA A 42 -0.085 -4.040 -5.853 1.00 0.00 C ATOM 657 O ALA A 42 -0.289 -2.977 -6.436 1.00 0.00 O ATOM 658 CB ALA A 42 1.870 -5.401 -6.586 1.00 0.00 C ATOM 0 H ALA A 42 1.601 -6.174 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 42 1.961 -3.598 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.855 -4.878 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.893 -5.689 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.247 -6.293 -6.651 1.00 0.00 H new ATOM 664 N ASN A 43 -1.053 -4.865 -5.478 1.00 0.00 N ATOM 665 CA ASN A 43 -2.454 -4.581 -5.716 1.00 0.00 C ATOM 666 C ASN A 43 -2.909 -3.453 -4.801 1.00 0.00 C ATOM 667 O ASN A 43 -3.676 -2.587 -5.183 1.00 0.00 O ATOM 668 CB ASN A 43 -3.287 -5.832 -5.459 1.00 0.00 C ATOM 669 CG ASN A 43 -4.647 -5.742 -6.150 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.120 -4.653 -6.479 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.304 -6.839 -6.391 1.00 0.00 N ATOM 0 H ASN A 43 -0.885 -5.750 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.589 -4.275 -6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.750 -6.710 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.429 -5.963 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.212 -6.798 -6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.911 -7.740 -6.118 1.00 0.00 H new ATOM 678 N LEU A 44 -2.390 -3.489 -3.583 1.00 0.00 N ATOM 679 CA LEU A 44 -2.673 -2.492 -2.566 1.00 0.00 C ATOM 680 C LEU A 44 -2.086 -1.206 -3.055 1.00 0.00 C ATOM 681 O LEU A 44 -2.684 -0.143 -2.945 1.00 0.00 O ATOM 682 CB LEU A 44 -2.059 -2.970 -1.242 1.00 0.00 C ATOM 683 CG LEU A 44 -2.508 -4.424 -1.046 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.019 -5.018 0.257 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.019 -4.502 -1.134 1.00 0.00 C ATOM 0 H LEU A 44 -1.753 -4.222 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.738 -2.343 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.972 -2.902 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.394 -2.347 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.059 -5.018 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.367 -6.047 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.929 -5.001 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.408 -4.434 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.339 -5.535 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.461 -3.877 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.345 -4.150 -2.113 1.00 0.00 H new ATOM 697 N LEU A 45 -0.938 -1.366 -3.691 1.00 0.00 N ATOM 698 CA LEU A 45 -0.250 -0.277 -4.336 1.00 0.00 C ATOM 699 C LEU A 45 -1.139 0.239 -5.444 1.00 0.00 C ATOM 700 O LEU A 45 -1.300 1.434 -5.636 1.00 0.00 O ATOM 701 CB LEU A 45 1.014 -0.810 -5.012 1.00 0.00 C ATOM 702 CG LEU A 45 2.280 -0.312 -4.371 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.208 1.206 -4.147 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.426 -1.118 -3.089 1.00 0.00 C ATOM 0 H LEU A 45 -0.460 -2.263 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.009 0.492 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.003 -1.900 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.007 -0.520 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 45 3.162 -0.454 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.132 1.549 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.074 1.709 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.366 1.438 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.331 -0.809 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.560 -0.945 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.492 -2.179 -3.332 1.00 0.00 H new ATOM 716 N ALA A 46 -1.695 -0.729 -6.171 1.00 0.00 N ATOM 717 CA ALA A 46 -2.566 -0.464 -7.303 1.00 0.00 C ATOM 718 C ALA A 46 -3.779 0.295 -6.839 1.00 0.00 C ATOM 719 O ALA A 46 -4.170 1.309 -7.418 1.00 0.00 O ATOM 720 CB ALA A 46 -3.020 -1.792 -7.911 1.00 0.00 C ATOM 0 H ALA A 46 -1.550 -1.722 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.025 0.123 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.674 -1.598 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.149 -2.356 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.561 -2.369 -7.161 1.00 0.00 H new ATOM 726 N GLU A 47 -4.333 -0.205 -5.754 1.00 0.00 N ATOM 727 CA GLU A 47 -5.470 0.389 -5.125 1.00 0.00 C ATOM 728 C GLU A 47 -5.082 1.756 -4.605 1.00 0.00 C ATOM 729 O GLU A 47 -5.884 2.682 -4.566 1.00 0.00 O ATOM 730 CB GLU A 47 -5.847 -0.499 -3.965 1.00 0.00 C ATOM 731 CG GLU A 47 -6.566 -1.765 -4.446 1.00 0.00 C ATOM 732 CD GLU A 47 -7.919 -1.408 -5.063 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.762 -0.901 -4.339 1.00 0.00 O ATOM 734 OE2 GLU A 47 -8.088 -1.630 -6.250 1.00 0.00 O ATOM 0 H GLU A 47 -3.994 -1.046 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.302 0.494 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.951 -0.776 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.492 0.050 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.950 -2.284 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.710 -2.449 -3.610 1.00 0.00 H new ATOM 741 N ALA A 48 -3.825 1.851 -4.209 1.00 0.00 N ATOM 742 CA ALA A 48 -3.285 3.087 -3.695 1.00 0.00 C ATOM 743 C ALA A 48 -3.179 4.098 -4.814 1.00 0.00 C ATOM 744 O ALA A 48 -3.599 5.240 -4.664 1.00 0.00 O ATOM 745 CB ALA A 48 -1.897 2.846 -3.117 1.00 0.00 C ATOM 0 H ALA A 48 -3.159 1.079 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.946 3.464 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.496 3.783 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.961 2.118 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.239 2.464 -3.898 1.00 0.00 H new ATOM 751 N LYS A 49 -2.653 3.642 -5.951 1.00 0.00 N ATOM 752 CA LYS A 49 -2.525 4.492 -7.126 1.00 0.00 C ATOM 753 C LYS A 49 -3.919 4.920 -7.522 1.00 0.00 C ATOM 754 O LYS A 49 -4.154 6.046 -7.948 1.00 0.00 O ATOM 755 CB LYS A 49 -1.920 3.716 -8.309 1.00 0.00 C ATOM 756 CG LYS A 49 -0.539 3.107 -7.990 1.00 0.00 C ATOM 757 CD LYS A 49 0.259 3.992 -7.034 1.00 0.00 C ATOM 758 CE LYS A 49 1.665 3.410 -6.848 1.00 0.00 C ATOM 759 NZ LYS A 49 2.307 4.021 -5.649 1.00 0.00 N ATOM 0 H LYS A 49 -2.310 2.690 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.877 5.337 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.604 2.919 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.827 4.385 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.670 2.119 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.022 2.971 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.323 5.006 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.249 4.056 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.609 2.328 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.269 3.603 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.052 3.388 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.725 4.937 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.592 4.164 -4.907 1.00 0.00 H new ATOM 773 N LYS A 50 -4.837 3.974 -7.351 1.00 0.00 N ATOM 774 CA LYS A 50 -6.236 4.181 -7.663 1.00 0.00 C ATOM 775 C LYS A 50 -6.830 5.222 -6.730 1.00 0.00 C ATOM 776 O LYS A 50 -7.565 6.111 -7.162 1.00 0.00 O ATOM 777 CB LYS A 50 -6.978 2.846 -7.516 1.00 0.00 C ATOM 778 CG LYS A 50 -8.406 2.947 -8.052 1.00 0.00 C ATOM 779 CD LYS A 50 -9.106 1.601 -7.830 1.00 0.00 C ATOM 780 CE LYS A 50 -9.599 1.501 -6.382 1.00 0.00 C ATOM 781 NZ LYS A 50 -10.435 0.276 -6.228 1.00 0.00 N ATOM 0 H LYS A 50 -4.626 3.043 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.337 4.543 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.439 2.066 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.000 2.553 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.947 3.744 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.395 3.198 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.946 1.501 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.418 0.784 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.750 1.464 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.179 2.386 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.427 0.549 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.365 -0.303 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.097 -0.275 -5.413 1.00 0.00 H new ATOM 795 N LEU A 51 -6.492 5.104 -5.449 1.00 0.00 N ATOM 796 CA LEU A 51 -6.990 6.044 -4.451 1.00 0.00 C ATOM 797 C LEU A 51 -6.335 7.404 -4.627 1.00 0.00 C ATOM 798 O LEU A 51 -7.003 8.436 -4.547 1.00 0.00 O ATOM 799 CB LEU A 51 -6.770 5.504 -3.027 1.00 0.00 C ATOM 800 CG LEU A 51 -8.125 5.080 -2.418 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.103 6.270 -2.388 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.733 3.938 -3.252 1.00 0.00 C ATOM 0 H LEU A 51 -5.882 4.374 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.064 6.162 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.089 4.654 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.304 6.268 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.955 4.740 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.051 5.951 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.681 7.073 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.270 6.629 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.689 3.641 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.888 4.278 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.054 3.085 -3.251 1.00 0.00 H new ATOM 814 N ASN A 52 -5.030 7.399 -4.888 1.00 0.00 N ATOM 815 CA ASN A 52 -4.305 8.633 -5.101 1.00 0.00 C ATOM 816 C ASN A 52 -4.825 9.308 -6.367 1.00 0.00 C ATOM 817 O ASN A 52 -5.035 10.517 -6.393 1.00 0.00 O ATOM 818 CB ASN A 52 -2.806 8.325 -5.186 1.00 0.00 C ATOM 819 CG ASN A 52 -2.213 8.671 -6.548 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.118 7.815 -7.425 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.807 9.879 -6.771 1.00 0.00 N ATOM 0 H ASN A 52 -4.462 6.555 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.458 9.322 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.280 8.884 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.644 7.267 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.407 10.123 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.887 10.587 -6.041 1.00 0.00 H new ATOM 828 N ASP A 53 -5.062 8.495 -7.398 1.00 0.00 N ATOM 829 CA ASP A 53 -5.597 8.994 -8.654 1.00 0.00 C ATOM 830 C ASP A 53 -6.950 9.636 -8.393 1.00 0.00 C ATOM 831 O ASP A 53 -7.291 10.674 -8.963 1.00 0.00 O ATOM 832 CB ASP A 53 -5.744 7.845 -9.663 1.00 0.00 C ATOM 833 CG ASP A 53 -6.252 8.381 -11.001 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.435 8.839 -11.783 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.452 8.331 -11.220 1.00 0.00 O ATOM 0 H ASP A 53 -4.890 7.490 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.914 9.733 -9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.784 7.348 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.436 7.097 -9.276 1.00 0.00 H new ATOM 840 N ALA A 54 -7.692 9.006 -7.493 1.00 0.00 N ATOM 841 CA ALA A 54 -8.998 9.490 -7.093 1.00 0.00 C ATOM 842 C ALA A 54 -8.854 10.799 -6.320 1.00 0.00 C ATOM 843 O ALA A 54 -9.691 11.695 -6.442 1.00 0.00 O ATOM 844 CB ALA A 54 -9.701 8.445 -6.222 1.00 0.00 C ATOM 0 H ALA A 54 -7.403 8.148 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.597 9.668 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.682 8.818 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.820 7.521 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.103 8.252 -5.332 1.00 0.00 H new ATOM 850 N GLN A 55 -7.774 10.902 -5.531 1.00 0.00 N ATOM 851 CA GLN A 55 -7.515 12.111 -4.747 1.00 0.00 C ATOM 852 C GLN A 55 -6.667 13.102 -5.544 1.00 0.00 C ATOM 853 O GLN A 55 -6.312 14.174 -5.048 1.00 0.00 O ATOM 854 CB GLN A 55 -6.829 11.740 -3.424 1.00 0.00 C ATOM 855 CG GLN A 55 -7.906 11.572 -2.344 1.00 0.00 C ATOM 856 CD GLN A 55 -7.274 11.482 -0.961 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.470 12.363 -0.124 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.519 10.467 -0.672 1.00 0.00 N ATOM 0 H GLN A 55 -7.074 10.168 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.466 12.594 -4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.261 10.817 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.121 12.516 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.597 12.414 -2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.489 10.673 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.357 9.738 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.087 10.399 0.250 1.00 0.00 H new ATOM 867 N ALA A 56 -6.359 12.733 -6.785 1.00 0.00 N ATOM 868 CA ALA A 56 -5.562 13.581 -7.669 1.00 0.00 C ATOM 869 C ALA A 56 -6.374 14.778 -8.139 1.00 0.00 C ATOM 870 O ALA A 56 -7.587 14.676 -8.336 1.00 0.00 O ATOM 871 CB ALA A 56 -5.074 12.769 -8.876 1.00 0.00 C ATOM 0 H ALA A 56 -6.650 11.849 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.699 13.947 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.481 13.409 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.462 11.936 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.932 12.384 -9.427 1.00 0.00 H new ATOM 877 N PRO A 57 -5.722 15.910 -8.308 1.00 0.00 N ATOM 878 CA PRO A 57 -6.382 17.167 -8.754 1.00 0.00 C ATOM 879 C PRO A 57 -7.232 16.967 -10.007 1.00 0.00 C ATOM 880 O PRO A 57 -7.013 16.032 -10.781 1.00 0.00 O ATOM 881 CB PRO A 57 -5.233 18.137 -9.038 1.00 0.00 C ATOM 882 CG PRO A 57 -3.954 17.416 -8.778 1.00 0.00 C ATOM 883 CD PRO A 57 -4.282 16.107 -8.075 1.00 0.00 C ATOM 0 HA PRO A 57 -7.070 17.535 -7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.273 18.485 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.311 19.019 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.429 17.224 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.293 18.024 -8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.698 15.281 -8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.057 16.162 -7.010 1.00 0.00 H new ATOM 891 N LYS A 58 -8.205 17.856 -10.184 1.00 0.00 N ATOM 892 CA LYS A 58 -9.114 17.795 -11.332 1.00 0.00 C ATOM 893 C LYS A 58 -9.422 19.203 -11.848 1.00 0.00 C ATOM 894 O LYS A 58 -9.441 19.378 -13.056 1.00 0.00 O ATOM 895 CB LYS A 58 -10.420 17.100 -10.916 1.00 0.00 C ATOM 896 CG LYS A 58 -10.124 15.653 -10.501 1.00 0.00 C ATOM 897 CD LYS A 58 -11.425 14.943 -10.108 1.00 0.00 C ATOM 898 CE LYS A 58 -11.108 13.540 -9.570 1.00 0.00 C ATOM 899 NZ LYS A 58 -10.365 13.650 -8.281 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.635 20.084 -11.030 1.00 0.00 O ATOM 0 H LYS A 58 -8.387 18.631 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.634 17.228 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.883 17.639 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.130 17.114 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.644 15.121 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.427 15.642 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.952 15.523 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.086 14.871 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.031 12.980 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.513 12.987 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.359 12.726 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.387 13.949 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.830 14.352 -7.671 1.00 0.00 H new TER 914 LYS A 58