USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 451 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0039) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.0386 (180deg=-0.0386) USER MOD Single : A 10 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -7.53! C(o=-8.7!,f=-7.5!) USER MOD Single : A 20 GLN : amide:sc= -1.58 K(o=-1.6,f=-7.4!) USER MOD Single : A 29 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0501 (180deg=-0.322) USER MOD Single : A 61 GLN : amide:sc= -2.34 K(o=-2.3,f=-3.1) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.374) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0742) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.680 -2.198 -2.288 1.00 70.13 N ATOM 19 CA LYS A 2 3.351 -3.474 -2.506 1.00 42.03 C ATOM 20 C LYS A 2 3.980 -3.528 -3.895 1.00 0.40 C ATOM 21 O LYS A 2 3.338 -3.196 -4.892 1.00 3.41 O ATOM 22 CB LYS A 2 2.362 -4.629 -2.338 1.00 20.42 C ATOM 23 CG LYS A 2 1.639 -4.622 -1.002 1.00 4.52 C ATOM 24 CD LYS A 2 2.583 -4.943 0.145 1.00 64.13 C ATOM 25 CE LYS A 2 1.855 -5.629 1.290 1.00 4.05 C ATOM 26 NZ LYS A 2 2.758 -5.886 2.446 1.00 23.24 N ATOM 0 HA LYS A 2 4.143 -3.571 -1.763 1.00 42.03 H new ATOM 0 HB2 LYS A 2 1.625 -4.585 -3.140 1.00 20.42 H new ATOM 0 HB3 LYS A 2 2.897 -5.573 -2.447 1.00 20.42 H new ATOM 0 HG2 LYS A 2 1.185 -3.645 -0.838 1.00 4.52 H new ATOM 0 HG3 LYS A 2 0.829 -5.351 -1.022 1.00 4.52 H new ATOM 0 HD2 LYS A 2 3.387 -5.586 -0.213 1.00 64.13 H new ATOM 0 HD3 LYS A 2 3.046 -4.024 0.505 1.00 64.13 H new ATOM 0 HE2 LYS A 2 1.019 -5.008 1.613 1.00 4.05 H new ATOM 0 HE3 LYS A 2 1.435 -6.572 0.940 1.00 4.05 H new ATOM 0 HZ1 LYS A 2 2.224 -6.355 3.206 1.00 23.24 H new ATOM 0 HZ2 LYS A 2 3.542 -6.499 2.144 1.00 23.24 H new ATOM 0 HZ3 LYS A 2 3.139 -4.984 2.796 1.00 23.24 H new ATOM 40 N LYS A 3 5.239 -3.949 -3.954 1.00 32.15 N ATOM 41 CA LYS A 3 5.954 -4.049 -5.220 1.00 24.40 C ATOM 42 C LYS A 3 6.180 -5.508 -5.603 1.00 63.51 C ATOM 43 O LYS A 3 6.606 -6.318 -4.780 1.00 53.20 O ATOM 44 CB LYS A 3 7.297 -3.321 -5.130 1.00 22.03 C ATOM 45 CG LYS A 3 7.198 -1.938 -4.510 1.00 4.12 C ATOM 46 CD LYS A 3 8.571 -1.322 -4.298 1.00 24.52 C ATOM 47 CE LYS A 3 9.190 -0.873 -5.613 1.00 13.33 C ATOM 48 NZ LYS A 3 10.290 0.108 -5.401 1.00 40.34 N ATOM 0 H LYS A 3 5.785 -4.227 -3.139 1.00 32.15 H new ATOM 0 HA LYS A 3 5.344 -3.579 -5.991 1.00 24.40 H new ATOM 0 HB2 LYS A 3 7.989 -3.925 -4.543 1.00 22.03 H new ATOM 0 HB3 LYS A 3 7.721 -3.232 -6.130 1.00 22.03 H new ATOM 0 HG2 LYS A 3 6.604 -1.291 -5.155 1.00 4.12 H new ATOM 0 HG3 LYS A 3 6.676 -2.003 -3.555 1.00 4.12 H new ATOM 0 HD2 LYS A 3 8.488 -0.469 -3.624 1.00 24.52 H new ATOM 0 HD3 LYS A 3 9.226 -2.048 -3.815 1.00 24.52 H new ATOM 0 HE2 LYS A 3 9.575 -1.741 -6.148 1.00 13.33 H new ATOM 0 HE3 LYS A 3 8.421 -0.426 -6.243 1.00 13.33 H new ATOM 0 HZ1 LYS A 3 10.618 0.466 -6.321 1.00 40.34 H new ATOM 0 HZ2 LYS A 3 9.942 0.901 -4.825 1.00 40.34 H new ATOM 0 HZ3 LYS A 3 11.080 -0.357 -4.909 1.00 40.34 H new ATOM 62 N GLY A 4 5.894 -5.837 -6.859 1.00 74.23 N ATOM 63 CA GLY A 4 6.073 -7.198 -7.329 1.00 63.43 C ATOM 64 C GLY A 4 5.985 -7.307 -8.839 1.00 33.04 C ATOM 65 O GLY A 4 5.636 -6.342 -9.519 1.00 41.34 O ATOM 0 H GLY A 4 5.541 -5.185 -7.560 1.00 74.23 H new ATOM 0 HA2 GLY A 4 7.043 -7.569 -6.997 1.00 63.43 H new ATOM 0 HA3 GLY A 4 5.315 -7.838 -6.877 1.00 63.43 H new ATOM 69 N THR A 5 6.302 -8.486 -9.365 1.00 45.44 N ATOM 70 CA THR A 5 6.260 -8.716 -10.804 1.00 31.32 C ATOM 71 C THR A 5 4.829 -8.930 -11.284 1.00 41.43 C ATOM 72 O THR A 5 3.950 -9.297 -10.505 1.00 11.22 O ATOM 73 CB THR A 5 7.111 -9.937 -11.202 1.00 74.13 C ATOM 74 OG1 THR A 5 6.883 -11.013 -10.285 1.00 70.25 O ATOM 75 CG2 THR A 5 8.590 -9.583 -11.220 1.00 20.34 C ATOM 0 H THR A 5 6.591 -9.296 -8.816 1.00 45.44 H new ATOM 0 HA THR A 5 6.671 -7.825 -11.280 1.00 31.32 H new ATOM 0 HB THR A 5 6.816 -10.247 -12.205 1.00 74.13 H new ATOM 0 HG1 THR A 5 7.426 -11.786 -10.546 1.00 70.25 H new ATOM 0 HG21 THR A 5 9.171 -10.461 -11.504 1.00 20.34 H new ATOM 0 HG22 THR A 5 8.764 -8.784 -11.941 1.00 20.34 H new ATOM 0 HG23 THR A 5 8.897 -9.250 -10.228 1.00 20.34 H new ATOM 83 N VAL A 6 4.602 -8.698 -12.573 1.00 51.24 N ATOM 84 CA VAL A 6 3.277 -8.866 -13.159 1.00 21.54 C ATOM 85 C VAL A 6 3.160 -10.207 -13.876 1.00 11.40 C ATOM 86 O VAL A 6 4.021 -10.572 -14.677 1.00 34.53 O ATOM 87 CB VAL A 6 2.954 -7.735 -14.152 1.00 42.32 C ATOM 88 CG1 VAL A 6 3.852 -7.827 -15.377 1.00 13.22 C ATOM 89 CG2 VAL A 6 1.487 -7.780 -14.552 1.00 0.44 C ATOM 0 H VAL A 6 5.319 -8.393 -13.232 1.00 51.24 H new ATOM 0 HA VAL A 6 2.561 -8.832 -12.338 1.00 21.54 H new ATOM 0 HB VAL A 6 3.144 -6.780 -13.662 1.00 42.32 H new ATOM 0 HG11 VAL A 6 3.609 -7.019 -16.068 1.00 13.22 H new ATOM 0 HG12 VAL A 6 4.895 -7.742 -15.071 1.00 13.22 H new ATOM 0 HG13 VAL A 6 3.696 -8.786 -15.871 1.00 13.22 H new ATOM 0 HG21 VAL A 6 1.276 -6.973 -15.254 1.00 0.44 H new ATOM 0 HG22 VAL A 6 1.268 -8.738 -15.023 1.00 0.44 H new ATOM 0 HG23 VAL A 6 0.864 -7.661 -13.665 1.00 0.44 H new ATOM 99 N LYS A 7 2.088 -10.936 -13.584 1.00 42.21 N ATOM 100 CA LYS A 7 1.855 -12.236 -14.202 1.00 3.20 C ATOM 101 C LYS A 7 1.296 -12.076 -15.612 1.00 13.31 C ATOM 102 O LYS A 7 1.606 -12.863 -16.506 1.00 32.33 O ATOM 103 CB LYS A 7 0.890 -13.063 -13.350 1.00 2.03 C ATOM 104 CG LYS A 7 1.282 -14.526 -13.234 1.00 53.02 C ATOM 105 CD LYS A 7 1.141 -15.030 -11.808 1.00 4.14 C ATOM 106 CE LYS A 7 -0.319 -15.199 -11.417 1.00 60.44 C ATOM 107 NZ LYS A 7 -0.873 -16.497 -11.893 1.00 71.21 N ATOM 0 H LYS A 7 1.367 -10.648 -12.923 1.00 42.21 H new ATOM 0 HA LYS A 7 2.811 -12.756 -14.266 1.00 3.20 H new ATOM 0 HB2 LYS A 7 0.837 -12.629 -12.351 1.00 2.03 H new ATOM 0 HB3 LYS A 7 -0.109 -12.996 -13.780 1.00 2.03 H new ATOM 0 HG2 LYS A 7 0.656 -15.125 -13.896 1.00 53.02 H new ATOM 0 HG3 LYS A 7 2.312 -14.655 -13.566 1.00 53.02 H new ATOM 0 HD2 LYS A 7 1.659 -15.984 -11.705 1.00 4.14 H new ATOM 0 HD3 LYS A 7 1.623 -14.331 -11.125 1.00 4.14 H new ATOM 0 HE2 LYS A 7 -0.414 -15.139 -10.333 1.00 60.44 H new ATOM 0 HE3 LYS A 7 -0.904 -14.379 -11.834 1.00 60.44 H new ATOM 0 HZ1 LYS A 7 -1.870 -16.575 -11.607 1.00 71.21 H new ATOM 0 HZ2 LYS A 7 -0.806 -16.544 -12.930 1.00 71.21 H new ATOM 0 HZ3 LYS A 7 -0.331 -17.280 -11.475 1.00 71.21 H new ATOM 121 N TRP A 8 0.472 -11.052 -15.804 1.00 11.25 N ATOM 122 CA TRP A 8 -0.129 -10.788 -17.106 1.00 34.30 C ATOM 123 C TRP A 8 -0.919 -9.484 -17.087 1.00 74.40 C ATOM 124 O TRP A 8 -1.544 -9.140 -16.083 1.00 64.02 O ATOM 125 CB TRP A 8 -1.042 -11.946 -17.513 1.00 31.21 C ATOM 126 CG TRP A 8 -2.352 -11.955 -16.784 1.00 43.41 C ATOM 127 CD1 TRP A 8 -3.408 -11.113 -16.987 1.00 2.34 C ATOM 128 CD2 TRP A 8 -2.743 -12.847 -15.735 1.00 61.01 C ATOM 129 NE1 TRP A 8 -4.432 -11.428 -16.127 1.00 0.15 N ATOM 130 CE2 TRP A 8 -4.049 -12.489 -15.349 1.00 14.30 C ATOM 131 CE3 TRP A 8 -2.118 -13.915 -15.086 1.00 1.12 C ATOM 132 CZ2 TRP A 8 -4.739 -13.160 -14.343 1.00 25.52 C ATOM 133 CZ3 TRP A 8 -2.803 -14.580 -14.087 1.00 70.41 C ATOM 134 CH2 TRP A 8 -4.102 -14.202 -13.724 1.00 34.01 C ATOM 0 H TRP A 8 0.205 -10.391 -15.074 1.00 11.25 H new ATOM 0 HA TRP A 8 0.674 -10.693 -17.837 1.00 34.30 H new ATOM 0 HB2 TRP A 8 -1.231 -11.890 -18.585 1.00 31.21 H new ATOM 0 HB3 TRP A 8 -0.526 -12.888 -17.329 1.00 31.21 H new ATOM 0 HD1 TRP A 8 -3.434 -10.317 -17.716 1.00 2.34 H new ATOM 0 HE1 TRP A 8 -5.331 -10.950 -16.076 1.00 0.15 H new ATOM 0 HE3 TRP A 8 -1.118 -14.215 -15.360 1.00 1.12 H new ATOM 0 HZ2 TRP A 8 -5.740 -12.869 -14.061 1.00 25.52 H new ATOM 0 HZ3 TRP A 8 -2.329 -15.406 -13.577 1.00 70.41 H new ATOM 0 HH2 TRP A 8 -4.611 -14.743 -12.940 1.00 34.01 H new ATOM 145 N PHE A 9 -0.889 -8.763 -18.202 1.00 43.44 N ATOM 146 CA PHE A 9 -1.602 -7.496 -18.313 1.00 1.51 C ATOM 147 C PHE A 9 -2.386 -7.425 -19.620 1.00 32.11 C ATOM 148 O PHE A 9 -1.820 -7.173 -20.683 1.00 13.33 O ATOM 149 CB PHE A 9 -0.620 -6.325 -18.230 1.00 55.41 C ATOM 150 CG PHE A 9 -1.292 -4.987 -18.110 1.00 14.33 C ATOM 151 CD1 PHE A 9 -1.684 -4.502 -16.872 1.00 72.22 C ATOM 152 CD2 PHE A 9 -1.533 -4.214 -19.234 1.00 45.43 C ATOM 153 CE1 PHE A 9 -2.302 -3.271 -16.758 1.00 34.22 C ATOM 154 CE2 PHE A 9 -2.150 -2.982 -19.126 1.00 42.21 C ATOM 155 CZ PHE A 9 -2.536 -2.511 -17.887 1.00 14.44 C ATOM 0 H PHE A 9 -0.378 -9.034 -19.042 1.00 43.44 H new ATOM 0 HA PHE A 9 -2.306 -7.431 -17.484 1.00 1.51 H new ATOM 0 HB2 PHE A 9 0.036 -6.471 -17.372 1.00 55.41 H new ATOM 0 HB3 PHE A 9 0.012 -6.327 -19.118 1.00 55.41 H new ATOM 0 HD1 PHE A 9 -1.504 -5.093 -15.986 1.00 72.22 H new ATOM 0 HD2 PHE A 9 -1.235 -4.578 -20.206 1.00 45.43 H new ATOM 0 HE1 PHE A 9 -2.601 -2.904 -15.787 1.00 34.22 H new ATOM 0 HE2 PHE A 9 -2.330 -2.388 -20.010 1.00 42.21 H new ATOM 0 HZ PHE A 9 -3.020 -1.550 -17.801 1.00 14.44 H new ATOM 165 N ASN A 10 -3.693 -7.651 -19.532 1.00 0.21 N ATOM 166 CA ASN A 10 -4.556 -7.614 -20.707 1.00 62.41 C ATOM 167 C ASN A 10 -4.939 -6.179 -21.057 1.00 24.44 C ATOM 168 O ASN A 10 -5.968 -5.675 -20.610 1.00 52.41 O ATOM 169 CB ASN A 10 -5.817 -8.446 -20.465 1.00 71.15 C ATOM 170 CG ASN A 10 -6.358 -9.060 -21.742 1.00 53.12 C ATOM 171 OD1 ASN A 10 -5.848 -8.802 -22.833 1.00 32.43 O ATOM 172 ND2 ASN A 10 -7.397 -9.877 -21.612 1.00 11.33 N ATOM 0 H ASN A 10 -4.177 -7.862 -18.659 1.00 0.21 H new ATOM 0 HA ASN A 10 -4.004 -8.038 -21.546 1.00 62.41 H new ATOM 0 HB2 ASN A 10 -5.595 -9.238 -19.750 1.00 71.15 H new ATOM 0 HB3 ASN A 10 -6.584 -7.816 -20.015 1.00 71.15 H new ATOM 0 HD21 ASN A 10 -7.804 -10.319 -22.436 1.00 11.33 H new ATOM 0 HD22 ASN A 10 -7.788 -10.062 -20.688 1.00 11.33 H new ATOM 179 N ALA A 11 -4.102 -5.528 -21.858 1.00 73.34 N ATOM 180 CA ALA A 11 -4.354 -4.153 -22.270 1.00 40.02 C ATOM 181 C ALA A 11 -5.625 -4.054 -23.108 1.00 25.43 C ATOM 182 O ALA A 11 -6.272 -3.009 -23.148 1.00 40.11 O ATOM 183 CB ALA A 11 -3.164 -3.608 -23.047 1.00 32.44 C ATOM 0 H ALA A 11 -3.244 -5.931 -22.234 1.00 73.34 H new ATOM 0 HA ALA A 11 -4.495 -3.551 -21.372 1.00 40.02 H new ATOM 0 HB1 ALA A 11 -3.366 -2.580 -23.348 1.00 32.44 H new ATOM 0 HB2 ALA A 11 -2.275 -3.633 -22.416 1.00 32.44 H new ATOM 0 HB3 ALA A 11 -2.997 -4.220 -23.933 1.00 32.44 H new ATOM 189 N GLU A 12 -5.974 -5.150 -23.775 1.00 54.41 N ATOM 190 CA GLU A 12 -7.167 -5.184 -24.613 1.00 73.30 C ATOM 191 C GLU A 12 -8.427 -4.982 -23.775 1.00 44.54 C ATOM 192 O GLU A 12 -9.438 -4.477 -24.265 1.00 25.21 O ATOM 193 CB GLU A 12 -7.251 -6.514 -25.365 1.00 64.14 C ATOM 194 CG GLU A 12 -6.644 -6.465 -26.758 1.00 12.33 C ATOM 195 CD GLU A 12 -7.526 -5.735 -27.752 1.00 43.43 C ATOM 196 OE1 GLU A 12 -8.578 -5.206 -27.337 1.00 70.12 O ATOM 197 OE2 GLU A 12 -7.162 -5.692 -28.946 1.00 53.15 O ATOM 0 H GLU A 12 -5.449 -6.024 -23.751 1.00 54.41 H new ATOM 0 HA GLU A 12 -7.096 -4.370 -25.334 1.00 73.30 H new ATOM 0 HB2 GLU A 12 -6.743 -7.283 -24.783 1.00 64.14 H new ATOM 0 HB3 GLU A 12 -8.297 -6.812 -25.444 1.00 64.14 H new ATOM 0 HG2 GLU A 12 -5.672 -5.973 -26.710 1.00 12.33 H new ATOM 0 HG3 GLU A 12 -6.470 -7.482 -27.110 1.00 12.33 H new ATOM 204 N LYS A 13 -8.358 -5.379 -22.509 1.00 52.13 N ATOM 205 CA LYS A 13 -9.491 -5.241 -21.601 1.00 62.25 C ATOM 206 C LYS A 13 -9.292 -4.059 -20.659 1.00 1.32 C ATOM 207 O LYS A 13 -10.250 -3.386 -20.280 1.00 30.52 O ATOM 208 CB LYS A 13 -9.681 -6.526 -20.792 1.00 10.00 C ATOM 209 CG LYS A 13 -9.863 -7.765 -21.651 1.00 63.14 C ATOM 210 CD LYS A 13 -11.329 -8.025 -21.952 1.00 33.44 C ATOM 211 CE LYS A 13 -11.741 -7.422 -23.286 1.00 63.50 C ATOM 212 NZ LYS A 13 -11.487 -8.356 -24.418 1.00 74.12 N ATOM 0 H LYS A 13 -7.529 -5.799 -22.088 1.00 52.13 H new ATOM 0 HA LYS A 13 -10.384 -5.060 -22.199 1.00 62.25 H new ATOM 0 HB2 LYS A 13 -8.817 -6.668 -20.143 1.00 10.00 H new ATOM 0 HB3 LYS A 13 -10.550 -6.412 -20.144 1.00 10.00 H new ATOM 0 HG2 LYS A 13 -9.315 -7.645 -22.585 1.00 63.14 H new ATOM 0 HG3 LYS A 13 -9.437 -8.629 -21.140 1.00 63.14 H new ATOM 0 HD2 LYS A 13 -11.514 -9.099 -21.965 1.00 33.44 H new ATOM 0 HD3 LYS A 13 -11.945 -7.605 -21.156 1.00 33.44 H new ATOM 0 HE2 LYS A 13 -12.800 -7.166 -23.257 1.00 63.50 H new ATOM 0 HE3 LYS A 13 -11.193 -6.494 -23.450 1.00 63.50 H new ATOM 0 HZ1 LYS A 13 -11.781 -7.909 -25.310 1.00 74.12 H new ATOM 0 HZ2 LYS A 13 -10.473 -8.581 -24.461 1.00 74.12 H new ATOM 0 HZ3 LYS A 13 -12.030 -9.231 -24.274 1.00 74.12 H new ATOM 226 N GLY A 14 -8.040 -3.809 -20.285 1.00 35.52 N ATOM 227 CA GLY A 14 -7.739 -2.707 -19.391 1.00 10.23 C ATOM 228 C GLY A 14 -7.538 -3.160 -17.958 1.00 71.13 C ATOM 229 O GLY A 14 -7.726 -2.383 -17.022 1.00 21.12 O ATOM 0 H GLY A 14 -7.230 -4.350 -20.586 1.00 35.52 H new ATOM 0 HA2 GLY A 14 -6.840 -2.198 -19.737 1.00 10.23 H new ATOM 0 HA3 GLY A 14 -8.551 -1.981 -19.429 1.00 10.23 H new ATOM 233 N TYR A 15 -7.157 -4.421 -17.787 1.00 11.05 N ATOM 234 CA TYR A 15 -6.935 -4.978 -16.458 1.00 3.15 C ATOM 235 C TYR A 15 -5.574 -5.663 -16.374 1.00 41.34 C ATOM 236 O TYR A 15 -4.858 -5.770 -17.369 1.00 74.14 O ATOM 237 CB TYR A 15 -8.042 -5.974 -16.107 1.00 45.13 C ATOM 238 CG TYR A 15 -9.410 -5.554 -16.593 1.00 13.41 C ATOM 239 CD1 TYR A 15 -9.898 -4.278 -16.339 1.00 1.32 C ATOM 240 CD2 TYR A 15 -10.216 -6.432 -17.307 1.00 64.40 C ATOM 241 CE1 TYR A 15 -11.148 -3.890 -16.780 1.00 12.10 C ATOM 242 CE2 TYR A 15 -11.467 -6.053 -17.753 1.00 43.34 C ATOM 243 CZ TYR A 15 -11.929 -4.781 -17.487 1.00 3.30 C ATOM 244 OH TYR A 15 -13.174 -4.398 -17.929 1.00 51.34 O ATOM 0 H TYR A 15 -6.996 -5.076 -18.552 1.00 11.05 H new ATOM 0 HA TYR A 15 -6.953 -4.157 -15.741 1.00 3.15 H new ATOM 0 HB2 TYR A 15 -7.795 -6.945 -16.537 1.00 45.13 H new ATOM 0 HB3 TYR A 15 -8.074 -6.103 -15.025 1.00 45.13 H new ATOM 0 HD1 TYR A 15 -9.289 -3.577 -15.787 1.00 1.32 H new ATOM 0 HD2 TYR A 15 -9.858 -7.429 -17.517 1.00 64.40 H new ATOM 0 HE1 TYR A 15 -11.512 -2.895 -16.573 1.00 12.10 H new ATOM 0 HE2 TYR A 15 -12.080 -6.749 -18.307 1.00 43.34 H new ATOM 0 HH TYR A 15 -13.593 -5.141 -18.411 1.00 51.34 H new ATOM 254 N GLY A 16 -5.223 -6.125 -15.178 1.00 75.51 N ATOM 255 CA GLY A 16 -3.950 -6.795 -14.986 1.00 13.35 C ATOM 256 C GLY A 16 -3.822 -7.411 -13.606 1.00 41.35 C ATOM 257 O GLY A 16 -4.640 -7.151 -12.724 1.00 2.42 O ATOM 0 H GLY A 16 -5.797 -6.047 -14.339 1.00 75.51 H new ATOM 0 HA2 GLY A 16 -3.835 -7.573 -15.740 1.00 13.35 H new ATOM 0 HA3 GLY A 16 -3.140 -6.081 -15.139 1.00 13.35 H new ATOM 261 N PHE A 17 -2.793 -8.231 -13.420 1.00 74.31 N ATOM 262 CA PHE A 17 -2.562 -8.889 -12.139 1.00 52.31 C ATOM 263 C PHE A 17 -1.095 -8.785 -11.732 1.00 34.24 C ATOM 264 O PHE A 17 -0.197 -9.002 -12.546 1.00 34.23 O ATOM 265 CB PHE A 17 -2.980 -10.359 -12.213 1.00 51.34 C ATOM 266 CG PHE A 17 -4.468 -10.560 -12.204 1.00 35.13 C ATOM 267 CD1 PHE A 17 -5.238 -10.188 -13.294 1.00 34.11 C ATOM 268 CD2 PHE A 17 -5.098 -11.121 -11.104 1.00 3.11 C ATOM 269 CE1 PHE A 17 -6.608 -10.372 -13.288 1.00 73.33 C ATOM 270 CE2 PHE A 17 -6.467 -11.308 -11.093 1.00 10.12 C ATOM 271 CZ PHE A 17 -7.223 -10.932 -12.186 1.00 34.12 C ATOM 0 H PHE A 17 -2.106 -8.456 -14.140 1.00 74.31 H new ATOM 0 HA PHE A 17 -3.167 -8.385 -11.385 1.00 52.31 H new ATOM 0 HB2 PHE A 17 -2.567 -10.801 -13.120 1.00 51.34 H new ATOM 0 HB3 PHE A 17 -2.544 -10.895 -11.370 1.00 51.34 H new ATOM 0 HD1 PHE A 17 -4.762 -9.749 -14.159 1.00 34.11 H new ATOM 0 HD2 PHE A 17 -4.512 -11.415 -10.246 1.00 3.11 H new ATOM 0 HE1 PHE A 17 -7.197 -10.078 -14.144 1.00 73.33 H new ATOM 0 HE2 PHE A 17 -6.945 -11.748 -10.230 1.00 10.12 H new ATOM 0 HZ PHE A 17 -8.293 -11.076 -12.179 1.00 34.12 H new ATOM 281 N ILE A 18 -0.861 -8.452 -10.467 1.00 11.21 N ATOM 282 CA ILE A 18 0.496 -8.320 -9.951 1.00 52.10 C ATOM 283 C ILE A 18 0.733 -9.268 -8.781 1.00 4.15 C ATOM 284 O ILE A 18 -0.156 -9.492 -7.960 1.00 55.45 O ATOM 285 CB ILE A 18 0.787 -6.878 -9.496 1.00 44.43 C ATOM 286 CG1 ILE A 18 0.539 -5.898 -10.645 1.00 11.54 C ATOM 287 CG2 ILE A 18 2.218 -6.760 -8.993 1.00 22.24 C ATOM 288 CD1 ILE A 18 0.144 -4.513 -10.182 1.00 52.51 C ATOM 0 H ILE A 18 -1.593 -8.269 -9.781 1.00 11.21 H new ATOM 0 HA ILE A 18 1.171 -8.578 -10.767 1.00 52.10 H new ATOM 0 HB ILE A 18 0.112 -6.628 -8.677 1.00 44.43 H new ATOM 0 HG12 ILE A 18 1.442 -5.826 -11.252 1.00 11.54 H new ATOM 0 HG13 ILE A 18 -0.246 -6.295 -11.288 1.00 11.54 H new ATOM 0 HG21 ILE A 18 2.409 -5.735 -8.675 1.00 22.24 H new ATOM 0 HG22 ILE A 18 2.364 -7.435 -8.149 1.00 22.24 H new ATOM 0 HG23 ILE A 18 2.908 -7.026 -9.794 1.00 22.24 H new ATOM 0 HD11 ILE A 18 -0.016 -3.871 -11.049 1.00 52.51 H new ATOM 0 HD12 ILE A 18 -0.776 -4.572 -9.600 1.00 52.51 H new ATOM 0 HD13 ILE A 18 0.939 -4.096 -9.563 1.00 52.51 H new ATOM 300 N GLN A 19 1.940 -9.820 -8.709 1.00 61.53 N ATOM 301 CA GLN A 19 2.295 -10.744 -7.638 1.00 11.31 C ATOM 302 C GLN A 19 3.386 -10.154 -6.750 1.00 63.25 C ATOM 303 O GLN A 19 4.495 -9.886 -7.211 1.00 44.33 O ATOM 304 CB GLN A 19 2.761 -12.079 -8.220 1.00 73.33 C ATOM 305 CG GLN A 19 2.380 -12.272 -9.679 1.00 64.44 C ATOM 306 CD GLN A 19 0.880 -12.297 -9.893 1.00 53.51 C ATOM 307 OE1 GLN A 19 0.371 -11.318 -10.633 1.00 12.45 O flip ATOM 308 NE2 GLN A 19 0.185 -13.185 -9.399 1.00 61.21 N flip ATOM 0 H GLN A 19 2.688 -9.644 -9.379 1.00 61.53 H new ATOM 0 HA GLN A 19 1.407 -10.912 -7.029 1.00 11.31 H new ATOM 0 HB2 GLN A 19 3.844 -12.150 -8.124 1.00 73.33 H new ATOM 0 HB3 GLN A 19 2.335 -12.891 -7.631 1.00 73.33 H new ATOM 0 HG2 GLN A 19 2.814 -11.468 -10.273 1.00 64.44 H new ATOM 0 HG3 GLN A 19 2.810 -13.205 -10.042 1.00 64.44 H new ATOM 0 HE21 GLN A 19 0.618 -13.918 -8.837 1.00 61.21 H new ATOM 0 HE22 GLN A 19 -0.823 -13.188 -9.552 1.00 61.21 H new ATOM 317 N GLN A 20 3.063 -9.956 -5.477 1.00 3.53 N ATOM 318 CA GLN A 20 4.017 -9.397 -4.526 1.00 13.44 C ATOM 319 C GLN A 20 4.640 -10.495 -3.670 1.00 41.15 C ATOM 320 O GLN A 20 4.494 -11.681 -3.965 1.00 1.25 O ATOM 321 CB GLN A 20 3.330 -8.364 -3.630 1.00 30.33 C ATOM 322 CG GLN A 20 2.144 -8.921 -2.859 1.00 11.13 C ATOM 323 CD GLN A 20 1.778 -8.071 -1.658 1.00 21.55 C ATOM 324 OE1 GLN A 20 2.635 -7.724 -0.844 1.00 71.41 O ATOM 325 NE2 GLN A 20 0.500 -7.731 -1.540 1.00 31.52 N ATOM 0 H GLN A 20 2.149 -10.174 -5.080 1.00 3.53 H new ATOM 0 HA GLN A 20 4.810 -8.908 -5.091 1.00 13.44 H new ATOM 0 HB2 GLN A 20 4.058 -7.967 -2.923 1.00 30.33 H new ATOM 0 HB3 GLN A 20 2.994 -7.529 -4.244 1.00 30.33 H new ATOM 0 HG2 GLN A 20 1.284 -8.992 -3.525 1.00 11.13 H new ATOM 0 HG3 GLN A 20 2.375 -9.933 -2.526 1.00 11.13 H new ATOM 0 HE21 GLN A 20 -0.177 -8.040 -2.238 1.00 31.52 H new ATOM 0 HE22 GLN A 20 0.195 -7.160 -0.752 1.00 31.52 H new ATOM 397 N VAL A 26 -3.286 -9.852 -7.194 1.00 33.14 N ATOM 398 CA VAL A 26 -3.983 -8.606 -6.899 1.00 54.22 C ATOM 399 C VAL A 26 -4.777 -8.121 -8.108 1.00 25.14 C ATOM 400 O VAL A 26 -4.413 -8.393 -9.252 1.00 42.41 O ATOM 401 CB VAL A 26 -3.000 -7.501 -6.468 1.00 34.44 C ATOM 402 CG1 VAL A 26 -2.676 -6.587 -7.639 1.00 60.22 C ATOM 403 CG2 VAL A 26 -3.571 -6.707 -5.303 1.00 3.44 C ATOM 0 HA VAL A 26 -4.668 -8.814 -6.077 1.00 54.22 H new ATOM 0 HB VAL A 26 -2.073 -7.971 -6.139 1.00 34.44 H new ATOM 0 HG11 VAL A 26 -1.980 -5.813 -7.315 1.00 60.22 H new ATOM 0 HG12 VAL A 26 -2.223 -7.170 -8.441 1.00 60.22 H new ATOM 0 HG13 VAL A 26 -3.593 -6.122 -8.002 1.00 60.22 H new ATOM 0 HG21 VAL A 26 -2.864 -5.930 -5.011 1.00 3.44 H new ATOM 0 HG22 VAL A 26 -4.512 -6.247 -5.603 1.00 3.44 H new ATOM 0 HG23 VAL A 26 -3.746 -7.374 -4.459 1.00 3.44 H new ATOM 413 N PHE A 27 -5.863 -7.401 -7.846 1.00 25.44 N ATOM 414 CA PHE A 27 -6.709 -6.878 -8.912 1.00 24.30 C ATOM 415 C PHE A 27 -6.270 -5.473 -9.315 1.00 31.35 C ATOM 416 O PHE A 27 -6.344 -4.536 -8.520 1.00 30.02 O ATOM 417 CB PHE A 27 -8.173 -6.860 -8.468 1.00 23.23 C ATOM 418 CG PHE A 27 -9.133 -7.261 -9.551 1.00 41.41 C ATOM 419 CD1 PHE A 27 -8.978 -8.462 -10.223 1.00 65.05 C ATOM 420 CD2 PHE A 27 -10.191 -6.435 -9.897 1.00 64.24 C ATOM 421 CE1 PHE A 27 -9.860 -8.834 -11.221 1.00 5.33 C ATOM 422 CE2 PHE A 27 -11.076 -6.802 -10.893 1.00 41.23 C ATOM 423 CZ PHE A 27 -10.910 -8.002 -11.557 1.00 5.13 C ATOM 0 H PHE A 27 -6.178 -7.167 -6.905 1.00 25.44 H new ATOM 0 HA PHE A 27 -6.607 -7.533 -9.777 1.00 24.30 H new ATOM 0 HB2 PHE A 27 -8.295 -7.532 -7.618 1.00 23.23 H new ATOM 0 HB3 PHE A 27 -8.427 -5.858 -8.121 1.00 23.23 H new ATOM 0 HD1 PHE A 27 -8.158 -9.116 -9.964 1.00 65.05 H new ATOM 0 HD2 PHE A 27 -10.325 -5.495 -9.383 1.00 64.24 H new ATOM 0 HE1 PHE A 27 -9.728 -9.774 -11.737 1.00 5.33 H new ATOM 0 HE2 PHE A 27 -11.897 -6.151 -11.152 1.00 41.23 H new ATOM 0 HZ PHE A 27 -11.600 -8.289 -12.337 1.00 5.13 H new ATOM 433 N VAL A 28 -5.812 -5.335 -10.555 1.00 35.31 N ATOM 434 CA VAL A 28 -5.362 -4.046 -11.065 1.00 11.34 C ATOM 435 C VAL A 28 -6.133 -3.651 -12.319 1.00 14.20 C ATOM 436 O VAL A 28 -6.450 -4.495 -13.158 1.00 1.02 O ATOM 437 CB VAL A 28 -3.856 -4.064 -11.386 1.00 21.12 C ATOM 438 CG1 VAL A 28 -3.167 -5.203 -10.650 1.00 4.34 C ATOM 439 CG2 VAL A 28 -3.633 -4.176 -12.886 1.00 61.15 C ATOM 0 H VAL A 28 -5.743 -6.101 -11.225 1.00 35.31 H new ATOM 0 HA VAL A 28 -5.550 -3.313 -10.281 1.00 11.34 H new ATOM 0 HB VAL A 28 -3.418 -3.126 -11.046 1.00 21.12 H new ATOM 0 HG11 VAL A 28 -2.104 -5.200 -10.889 1.00 4.34 H new ATOM 0 HG12 VAL A 28 -3.298 -5.074 -9.576 1.00 4.34 H new ATOM 0 HG13 VAL A 28 -3.605 -6.153 -10.957 1.00 4.34 H new ATOM 0 HG21 VAL A 28 -2.563 -4.187 -13.095 1.00 61.15 H new ATOM 0 HG22 VAL A 28 -4.084 -5.098 -13.253 1.00 61.15 H new ATOM 0 HG23 VAL A 28 -4.091 -3.323 -13.387 1.00 61.15 H new ATOM 449 N HIS A 29 -6.433 -2.361 -12.442 1.00 20.55 N ATOM 450 CA HIS A 29 -7.167 -1.853 -13.595 1.00 61.51 C ATOM 451 C HIS A 29 -6.462 -0.642 -14.197 1.00 43.21 C ATOM 452 O HIS A 29 -5.683 0.034 -13.524 1.00 65.52 O ATOM 453 CB HIS A 29 -8.594 -1.480 -13.194 1.00 73.31 C ATOM 454 CG HIS A 29 -9.539 -2.642 -13.192 1.00 72.32 C ATOM 455 ND1 HIS A 29 -10.803 -2.585 -13.740 1.00 33.30 N ATOM 456 CD2 HIS A 29 -9.397 -3.898 -12.706 1.00 55.25 C ATOM 457 CE1 HIS A 29 -11.399 -3.755 -13.590 1.00 10.24 C ATOM 458 NE2 HIS A 29 -10.567 -4.569 -12.966 1.00 30.13 N ATOM 0 H HIS A 29 -6.179 -1.649 -11.757 1.00 20.55 H new ATOM 0 HA HIS A 29 -7.204 -2.641 -14.347 1.00 61.51 H new ATOM 0 HB2 HIS A 29 -8.578 -1.033 -12.200 1.00 73.31 H new ATOM 0 HB3 HIS A 29 -8.968 -0.719 -13.879 1.00 73.31 H new ATOM 0 HD2 HIS A 29 -8.526 -4.297 -12.207 1.00 55.25 H new ATOM 0 HE1 HIS A 29 -12.397 -4.003 -13.921 1.00 10.24 H new ATOM 0 HE2 HIS A 29 -10.762 -5.539 -12.717 1.00 30.13 H new ATOM 466 N PHE A 30 -6.740 -0.373 -15.468 1.00 44.44 N ATOM 467 CA PHE A 30 -6.131 0.757 -16.162 1.00 24.44 C ATOM 468 C PHE A 30 -6.528 2.076 -15.506 1.00 30.12 C ATOM 469 O PHE A 30 -5.886 3.106 -15.716 1.00 32.21 O ATOM 470 CB PHE A 30 -6.544 0.761 -17.635 1.00 13.33 C ATOM 471 CG PHE A 30 -7.931 1.290 -17.866 1.00 42.33 C ATOM 472 CD1 PHE A 30 -9.040 0.552 -17.488 1.00 75.33 C ATOM 473 CD2 PHE A 30 -8.124 2.526 -18.462 1.00 75.05 C ATOM 474 CE1 PHE A 30 -10.318 1.036 -17.700 1.00 22.34 C ATOM 475 CE2 PHE A 30 -9.399 3.015 -18.676 1.00 13.31 C ATOM 476 CZ PHE A 30 -10.497 2.269 -18.295 1.00 73.22 C ATOM 0 H PHE A 30 -7.383 -0.922 -16.039 1.00 44.44 H new ATOM 0 HA PHE A 30 -5.048 0.651 -16.097 1.00 24.44 H new ATOM 0 HB2 PHE A 30 -5.834 1.364 -18.202 1.00 13.33 H new ATOM 0 HB3 PHE A 30 -6.481 -0.255 -18.025 1.00 13.33 H new ATOM 0 HD1 PHE A 30 -8.905 -0.413 -17.022 1.00 75.33 H new ATOM 0 HD2 PHE A 30 -7.269 3.114 -18.763 1.00 75.05 H new ATOM 0 HE1 PHE A 30 -11.175 0.450 -17.401 1.00 22.34 H new ATOM 0 HE2 PHE A 30 -9.537 3.980 -19.141 1.00 13.31 H new ATOM 0 HZ PHE A 30 -11.494 2.649 -18.462 1.00 73.22 H new ATOM 486 N THR A 31 -7.592 2.037 -14.710 1.00 13.41 N ATOM 487 CA THR A 31 -8.077 3.228 -14.024 1.00 55.54 C ATOM 488 C THR A 31 -7.383 3.410 -12.679 1.00 75.14 C ATOM 489 O THR A 31 -7.641 4.376 -11.963 1.00 12.53 O ATOM 490 CB THR A 31 -9.600 3.166 -13.799 1.00 50.14 C ATOM 491 OG1 THR A 31 -9.990 1.833 -13.451 1.00 65.10 O ATOM 492 CG2 THR A 31 -10.350 3.609 -15.046 1.00 40.44 C ATOM 0 H THR A 31 -8.134 1.193 -14.525 1.00 13.41 H new ATOM 0 HA THR A 31 -7.846 4.078 -14.666 1.00 55.54 H new ATOM 0 HB THR A 31 -9.852 3.843 -12.983 1.00 50.14 H new ATOM 0 HG1 THR A 31 -10.959 1.802 -13.308 1.00 65.10 H new ATOM 0 HG21 THR A 31 -11.423 3.557 -14.863 1.00 40.44 H new ATOM 0 HG22 THR A 31 -10.073 4.634 -15.292 1.00 40.44 H new ATOM 0 HG23 THR A 31 -10.092 2.954 -15.878 1.00 40.44 H new ATOM 500 N ALA A 32 -6.501 2.474 -12.343 1.00 14.40 N ATOM 501 CA ALA A 32 -5.768 2.533 -11.085 1.00 11.24 C ATOM 502 C ALA A 32 -4.277 2.737 -11.328 1.00 5.15 C ATOM 503 O ALA A 32 -3.564 3.258 -10.469 1.00 21.43 O ATOM 504 CB ALA A 32 -6.005 1.266 -10.276 1.00 42.12 C ATOM 0 H ALA A 32 -6.277 1.666 -12.924 1.00 14.40 H new ATOM 0 HA ALA A 32 -6.137 3.387 -10.517 1.00 11.24 H new ATOM 0 HB1 ALA A 32 -5.451 1.324 -9.339 1.00 42.12 H new ATOM 0 HB2 ALA A 32 -7.069 1.164 -10.063 1.00 42.12 H new ATOM 0 HB3 ALA A 32 -5.664 0.401 -10.846 1.00 42.12 H new ATOM 510 N ILE A 33 -3.811 2.323 -12.501 1.00 40.42 N ATOM 511 CA ILE A 33 -2.404 2.461 -12.856 1.00 40.50 C ATOM 512 C ILE A 33 -1.960 3.919 -12.788 1.00 74.11 C ATOM 513 O ILE A 33 -2.556 4.789 -13.422 1.00 60.14 O ATOM 514 CB ILE A 33 -2.124 1.917 -14.269 1.00 64.40 C ATOM 515 CG1 ILE A 33 -2.132 0.387 -14.260 1.00 64.42 C ATOM 516 CG2 ILE A 33 -0.792 2.442 -14.785 1.00 31.24 C ATOM 517 CD1 ILE A 33 -2.725 -0.222 -15.511 1.00 53.34 C ATOM 0 H ILE A 33 -4.387 1.889 -13.222 1.00 40.42 H new ATOM 0 HA ILE A 33 -1.837 1.877 -12.131 1.00 40.50 H new ATOM 0 HB ILE A 33 -2.912 2.262 -14.938 1.00 64.40 H new ATOM 0 HG12 ILE A 33 -1.110 0.027 -14.140 1.00 64.42 H new ATOM 0 HG13 ILE A 33 -2.696 0.040 -13.394 1.00 64.42 H new ATOM 0 HG21 ILE A 33 -0.608 2.048 -15.785 1.00 31.24 H new ATOM 0 HG22 ILE A 33 -0.820 3.531 -14.823 1.00 31.24 H new ATOM 0 HG23 ILE A 33 0.008 2.123 -14.117 1.00 31.24 H new ATOM 0 HD11 ILE A 33 -2.698 -1.309 -15.435 1.00 53.34 H new ATOM 0 HD12 ILE A 33 -3.758 0.108 -15.622 1.00 53.34 H new ATOM 0 HD13 ILE A 33 -2.147 0.095 -16.379 1.00 53.34 H new ATOM 529 N GLU A 34 -0.910 4.177 -12.016 1.00 24.45 N ATOM 530 CA GLU A 34 -0.386 5.529 -11.866 1.00 43.20 C ATOM 531 C GLU A 34 0.956 5.675 -12.578 1.00 60.32 C ATOM 532 O GLU A 34 2.009 5.409 -12.000 1.00 64.44 O ATOM 533 CB GLU A 34 -0.230 5.879 -10.385 1.00 22.34 C ATOM 534 CG GLU A 34 -1.450 5.535 -9.546 1.00 65.34 C ATOM 535 CD GLU A 34 -1.977 6.725 -8.769 1.00 34.44 C ATOM 536 OE1 GLU A 34 -1.154 7.478 -8.207 1.00 74.13 O ATOM 537 OE2 GLU A 34 -3.212 6.902 -8.721 1.00 14.41 O ATOM 0 H GLU A 34 -0.405 3.468 -11.485 1.00 24.45 H new ATOM 0 HA GLU A 34 -1.097 6.218 -12.322 1.00 43.20 H new ATOM 0 HB2 GLU A 34 0.636 5.352 -9.985 1.00 22.34 H new ATOM 0 HB3 GLU A 34 -0.025 6.945 -10.292 1.00 22.34 H new ATOM 0 HG2 GLU A 34 -2.237 5.152 -10.196 1.00 65.34 H new ATOM 0 HG3 GLU A 34 -1.194 4.736 -8.850 1.00 65.34 H new ATOM 631 N LEU A 41 1.648 -2.711 -19.157 1.00 25.31 N ATOM 632 CA LEU A 41 2.681 -3.467 -18.456 1.00 74.51 C ATOM 633 C LEU A 41 3.142 -4.660 -19.288 1.00 54.22 C ATOM 634 O LEU A 41 2.471 -5.063 -20.237 1.00 72.41 O ATOM 635 CB LEU A 41 2.157 -3.948 -17.102 1.00 22.15 C ATOM 636 CG LEU A 41 1.492 -2.887 -16.224 1.00 22.10 C ATOM 637 CD1 LEU A 41 0.919 -3.519 -14.965 1.00 12.51 C ATOM 638 CD2 LEU A 41 2.485 -1.790 -15.868 1.00 63.41 C ATOM 0 HA LEU A 41 3.534 -2.808 -18.296 1.00 74.51 H new ATOM 0 HB2 LEU A 41 1.438 -4.749 -17.277 1.00 22.15 H new ATOM 0 HB3 LEU A 41 2.988 -4.382 -16.546 1.00 22.15 H new ATOM 0 HG LEU A 41 0.673 -2.439 -16.786 1.00 22.10 H new ATOM 0 HD11 LEU A 41 0.450 -2.749 -14.353 1.00 12.51 H new ATOM 0 HD12 LEU A 41 0.176 -4.267 -15.240 1.00 12.51 H new ATOM 0 HD13 LEU A 41 1.720 -3.994 -14.399 1.00 12.51 H new ATOM 0 HD21 LEU A 41 1.994 -1.044 -15.243 1.00 63.41 H new ATOM 0 HD22 LEU A 41 3.325 -2.222 -15.325 1.00 63.41 H new ATOM 0 HD23 LEU A 41 2.847 -1.317 -16.781 1.00 63.41 H new ATOM 650 N ASN A 42 4.290 -5.220 -18.924 1.00 23.42 N ATOM 651 CA ASN A 42 4.840 -6.368 -19.636 1.00 24.22 C ATOM 652 C ASN A 42 5.099 -7.529 -18.680 1.00 10.44 C ATOM 653 O ASN A 42 5.758 -7.364 -17.654 1.00 21.54 O ATOM 654 CB ASN A 42 6.138 -5.980 -20.347 1.00 3.53 C ATOM 655 CG ASN A 42 6.050 -4.618 -21.008 1.00 11.52 C ATOM 656 OD1 ASN A 42 6.781 -3.693 -20.651 1.00 33.42 O ATOM 657 ND2 ASN A 42 5.151 -4.488 -21.977 1.00 45.30 N ATOM 0 H ASN A 42 4.858 -4.898 -18.140 1.00 23.42 H new ATOM 0 HA ASN A 42 4.108 -6.688 -20.378 1.00 24.22 H new ATOM 0 HB2 ASN A 42 6.957 -5.980 -19.628 1.00 3.53 H new ATOM 0 HB3 ASN A 42 6.375 -6.732 -21.100 1.00 3.53 H new ATOM 0 HD21 ASN A 42 5.045 -3.595 -22.458 1.00 45.30 H new ATOM 0 HD22 ASN A 42 4.566 -5.281 -22.240 1.00 45.30 H new ATOM 664 N GLU A 43 4.575 -8.701 -19.025 1.00 5.21 N ATOM 665 CA GLU A 43 4.750 -9.888 -18.197 1.00 31.23 C ATOM 666 C GLU A 43 6.223 -10.111 -17.869 1.00 25.03 C ATOM 667 O GLU A 43 7.069 -10.161 -18.761 1.00 53.12 O ATOM 668 CB GLU A 43 4.182 -11.120 -18.906 1.00 1.53 C ATOM 669 CG GLU A 43 4.373 -12.411 -18.129 1.00 33.24 C ATOM 670 CD GLU A 43 4.072 -13.643 -18.961 1.00 4.41 C ATOM 671 OE1 GLU A 43 2.879 -13.919 -19.203 1.00 21.30 O ATOM 672 OE2 GLU A 43 5.032 -14.329 -19.371 1.00 32.55 O ATOM 0 H GLU A 43 4.026 -8.854 -19.871 1.00 5.21 H new ATOM 0 HA GLU A 43 4.208 -9.732 -17.264 1.00 31.23 H new ATOM 0 HB2 GLU A 43 3.118 -10.967 -19.085 1.00 1.53 H new ATOM 0 HB3 GLU A 43 4.658 -11.219 -19.882 1.00 1.53 H new ATOM 0 HG2 GLU A 43 5.400 -12.464 -17.767 1.00 33.24 H new ATOM 0 HG3 GLU A 43 3.725 -12.402 -17.252 1.00 33.24 H new ATOM 679 N GLY A 44 6.523 -10.244 -16.580 1.00 45.21 N ATOM 680 CA GLY A 44 7.895 -10.459 -16.156 1.00 54.10 C ATOM 681 C GLY A 44 8.531 -9.204 -15.593 1.00 40.41 C ATOM 682 O GLY A 44 9.599 -9.261 -14.985 1.00 22.30 O ATOM 0 H GLY A 44 5.841 -10.207 -15.822 1.00 45.21 H new ATOM 0 HA2 GLY A 44 7.920 -11.245 -15.401 1.00 54.10 H new ATOM 0 HA3 GLY A 44 8.483 -10.812 -17.003 1.00 54.10 H new ATOM 686 N GLU A 45 7.874 -8.066 -15.797 1.00 61.05 N ATOM 687 CA GLU A 45 8.385 -6.791 -15.307 1.00 72.24 C ATOM 688 C GLU A 45 7.899 -6.520 -13.887 1.00 34.35 C ATOM 689 O GLU A 45 6.910 -7.100 -13.436 1.00 11.24 O ATOM 690 CB GLU A 45 7.950 -5.653 -16.233 1.00 1.33 C ATOM 691 CG GLU A 45 8.618 -4.325 -15.919 1.00 2.51 C ATOM 692 CD GLU A 45 8.937 -3.523 -17.166 1.00 13.31 C ATOM 693 OE1 GLU A 45 9.695 -4.028 -18.020 1.00 34.33 O ATOM 694 OE2 GLU A 45 8.427 -2.389 -17.288 1.00 30.03 O ATOM 0 H GLU A 45 6.988 -8.001 -16.298 1.00 61.05 H new ATOM 0 HA GLU A 45 9.474 -6.845 -15.296 1.00 72.24 H new ATOM 0 HB2 GLU A 45 8.174 -5.928 -17.264 1.00 1.33 H new ATOM 0 HB3 GLU A 45 6.869 -5.532 -16.163 1.00 1.33 H new ATOM 0 HG2 GLU A 45 7.966 -3.739 -15.271 1.00 2.51 H new ATOM 0 HG3 GLU A 45 9.538 -4.508 -15.364 1.00 2.51 H new ATOM 701 N HIS A 46 8.601 -5.636 -13.185 1.00 51.15 N ATOM 702 CA HIS A 46 8.242 -5.287 -11.815 1.00 74.44 C ATOM 703 C HIS A 46 7.376 -4.031 -11.784 1.00 31.55 C ATOM 704 O HIS A 46 7.615 -3.081 -12.528 1.00 44.13 O ATOM 705 CB HIS A 46 9.500 -5.075 -10.974 1.00 4.10 C ATOM 706 CG HIS A 46 10.688 -5.843 -11.468 1.00 34.04 C ATOM 707 ND1 HIS A 46 10.940 -7.150 -11.109 1.00 61.43 N ATOM 708 CD2 HIS A 46 11.693 -5.481 -12.298 1.00 63.11 C ATOM 709 CE1 HIS A 46 12.051 -7.559 -11.697 1.00 13.14 C ATOM 710 NE2 HIS A 46 12.527 -6.565 -12.424 1.00 42.21 N ATOM 0 H HIS A 46 9.422 -5.148 -13.543 1.00 51.15 H new ATOM 0 HA HIS A 46 7.668 -6.113 -11.394 1.00 74.44 H new ATOM 0 HB2 HIS A 46 9.744 -4.013 -10.962 1.00 4.10 H new ATOM 0 HB3 HIS A 46 9.292 -5.366 -9.944 1.00 4.10 H new ATOM 0 HD2 HIS A 46 11.817 -4.519 -12.773 1.00 63.11 H new ATOM 0 HE1 HIS A 46 12.494 -8.539 -11.599 1.00 13.14 H new ATOM 0 HE2 HIS A 46 13.376 -6.597 -12.988 1.00 42.21 H new ATOM 718 N VAL A 47 6.368 -4.035 -10.917 1.00 3.15 N ATOM 719 CA VAL A 47 5.467 -2.896 -10.787 1.00 61.03 C ATOM 720 C VAL A 47 4.831 -2.853 -9.402 1.00 43.24 C ATOM 721 O VAL A 47 4.504 -3.890 -8.827 1.00 14.21 O ATOM 722 CB VAL A 47 4.353 -2.938 -11.850 1.00 63.24 C ATOM 723 CG1 VAL A 47 4.948 -2.893 -13.250 1.00 4.45 C ATOM 724 CG2 VAL A 47 3.491 -4.178 -11.669 1.00 71.10 C ATOM 0 H VAL A 47 6.155 -4.814 -10.294 1.00 3.15 H new ATOM 0 HA VAL A 47 6.068 -1.999 -10.936 1.00 61.03 H new ATOM 0 HB VAL A 47 3.719 -2.060 -11.722 1.00 63.24 H new ATOM 0 HG11 VAL A 47 4.146 -2.924 -13.987 1.00 4.45 H new ATOM 0 HG12 VAL A 47 5.519 -1.973 -13.373 1.00 4.45 H new ATOM 0 HG13 VAL A 47 5.606 -3.750 -13.394 1.00 4.45 H new ATOM 0 HG21 VAL A 47 2.709 -4.192 -12.428 1.00 71.10 H new ATOM 0 HG22 VAL A 47 4.110 -5.069 -11.770 1.00 71.10 H new ATOM 0 HG23 VAL A 47 3.035 -4.163 -10.679 1.00 71.10 H new ATOM 734 N GLU A 48 4.660 -1.645 -8.873 1.00 74.34 N ATOM 735 CA GLU A 48 4.063 -1.467 -7.555 1.00 32.41 C ATOM 736 C GLU A 48 2.544 -1.360 -7.655 1.00 71.22 C ATOM 737 O GLU A 48 2.000 -1.062 -8.719 1.00 22.31 O ATOM 738 CB GLU A 48 4.630 -0.218 -6.878 1.00 53.44 C ATOM 739 CG GLU A 48 4.248 -0.093 -5.413 1.00 0.40 C ATOM 740 CD GLU A 48 4.994 1.024 -4.709 1.00 3.10 C ATOM 741 OE1 GLU A 48 6.203 1.191 -4.976 1.00 14.15 O ATOM 742 OE2 GLU A 48 4.369 1.731 -3.891 1.00 52.33 O ATOM 0 H GLU A 48 4.926 -0.776 -9.337 1.00 74.34 H new ATOM 0 HA GLU A 48 4.309 -2.341 -6.952 1.00 32.41 H new ATOM 0 HB2 GLU A 48 5.717 -0.232 -6.961 1.00 53.44 H new ATOM 0 HB3 GLU A 48 4.280 0.665 -7.413 1.00 53.44 H new ATOM 0 HG2 GLU A 48 3.176 0.086 -5.335 1.00 0.40 H new ATOM 0 HG3 GLU A 48 4.452 -1.036 -4.906 1.00 0.40 H new ATOM 749 N PHE A 49 1.864 -1.606 -6.540 1.00 4.11 N ATOM 750 CA PHE A 49 0.408 -1.539 -6.501 1.00 42.23 C ATOM 751 C PHE A 49 -0.092 -1.387 -5.068 1.00 5.43 C ATOM 752 O PHE A 49 0.339 -2.109 -4.170 1.00 24.22 O ATOM 753 CB PHE A 49 -0.198 -2.793 -7.134 1.00 52.03 C ATOM 754 CG PHE A 49 0.156 -4.061 -6.411 1.00 13.45 C ATOM 755 CD1 PHE A 49 1.373 -4.684 -6.633 1.00 73.53 C ATOM 756 CD2 PHE A 49 -0.728 -4.628 -5.507 1.00 73.22 C ATOM 757 CE1 PHE A 49 1.700 -5.851 -5.969 1.00 63.42 C ATOM 758 CE2 PHE A 49 -0.406 -5.795 -4.840 1.00 0.13 C ATOM 759 CZ PHE A 49 0.810 -6.407 -5.070 1.00 45.44 C ATOM 0 H PHE A 49 2.298 -1.854 -5.651 1.00 4.11 H new ATOM 0 HA PHE A 49 0.094 -0.664 -7.071 1.00 42.23 H new ATOM 0 HB2 PHE A 49 -1.283 -2.689 -7.159 1.00 52.03 H new ATOM 0 HB3 PHE A 49 0.139 -2.868 -8.168 1.00 52.03 H new ATOM 0 HD1 PHE A 49 2.074 -4.253 -7.333 1.00 73.53 H new ATOM 0 HD2 PHE A 49 -1.680 -4.152 -5.321 1.00 73.22 H new ATOM 0 HE1 PHE A 49 2.651 -6.328 -6.153 1.00 63.42 H new ATOM 0 HE2 PHE A 49 -1.105 -6.228 -4.140 1.00 0.13 H new ATOM 0 HZ PHE A 49 1.065 -7.318 -4.549 1.00 45.44 H new ATOM 769 N GLU A 50 -1.003 -0.441 -4.862 1.00 42.31 N ATOM 770 CA GLU A 50 -1.560 -0.193 -3.538 1.00 0.44 C ATOM 771 C GLU A 50 -2.899 -0.905 -3.369 1.00 1.24 C ATOM 772 O GLU A 50 -3.932 -0.429 -3.839 1.00 40.44 O ATOM 773 CB GLU A 50 -1.736 1.310 -3.307 1.00 73.24 C ATOM 774 CG GLU A 50 -0.893 1.854 -2.167 1.00 22.23 C ATOM 775 CD GLU A 50 -1.657 2.823 -1.287 1.00 14.44 C ATOM 776 OE1 GLU A 50 -2.758 2.462 -0.821 1.00 72.23 O ATOM 777 OE2 GLU A 50 -1.154 3.944 -1.063 1.00 50.43 O ATOM 0 H GLU A 50 -1.371 0.166 -5.595 1.00 42.31 H new ATOM 0 HA GLU A 50 -0.863 -0.587 -2.799 1.00 0.44 H new ATOM 0 HB2 GLU A 50 -1.480 1.842 -4.223 1.00 73.24 H new ATOM 0 HB3 GLU A 50 -2.786 1.517 -3.102 1.00 73.24 H new ATOM 0 HG2 GLU A 50 -0.532 1.024 -1.559 1.00 22.23 H new ATOM 0 HG3 GLU A 50 -0.016 2.355 -2.576 1.00 22.23 H new ATOM 784 N VAL A 51 -2.873 -2.050 -2.693 1.00 44.53 N ATOM 785 CA VAL A 51 -4.083 -2.828 -2.461 1.00 32.10 C ATOM 786 C VAL A 51 -5.067 -2.065 -1.582 1.00 14.40 C ATOM 787 O VAL A 51 -4.729 -1.642 -0.477 1.00 44.22 O ATOM 788 CB VAL A 51 -3.762 -4.181 -1.798 1.00 10.31 C ATOM 789 CG1 VAL A 51 -2.859 -5.014 -2.695 1.00 34.23 C ATOM 790 CG2 VAL A 51 -3.122 -3.967 -0.435 1.00 12.45 C ATOM 0 H VAL A 51 -2.027 -2.459 -2.297 1.00 44.53 H new ATOM 0 HA VAL A 51 -4.535 -3.008 -3.436 1.00 32.10 H new ATOM 0 HB VAL A 51 -4.695 -4.726 -1.655 1.00 10.31 H new ATOM 0 HG11 VAL A 51 -2.643 -5.966 -2.210 1.00 34.23 H new ATOM 0 HG12 VAL A 51 -3.359 -5.196 -3.646 1.00 34.23 H new ATOM 0 HG13 VAL A 51 -1.927 -4.477 -2.872 1.00 34.23 H new ATOM 0 HG21 VAL A 51 -2.902 -4.933 0.019 1.00 12.45 H new ATOM 0 HG22 VAL A 51 -2.197 -3.402 -0.552 1.00 12.45 H new ATOM 0 HG23 VAL A 51 -3.808 -3.413 0.206 1.00 12.45 H new ATOM 800 N GLU A 52 -6.288 -1.892 -2.081 1.00 24.43 N ATOM 801 CA GLU A 52 -7.321 -1.179 -1.340 1.00 33.02 C ATOM 802 C GLU A 52 -8.469 -2.114 -0.970 1.00 22.35 C ATOM 803 O GLU A 52 -8.662 -3.170 -1.572 1.00 64.43 O ATOM 804 CB GLU A 52 -7.852 -0.004 -2.164 1.00 60.21 C ATOM 805 CG GLU A 52 -7.086 1.289 -1.943 1.00 53.51 C ATOM 806 CD GLU A 52 -7.028 1.691 -0.482 1.00 31.41 C ATOM 807 OE1 GLU A 52 -6.081 1.268 0.213 1.00 62.42 O ATOM 808 OE2 GLU A 52 -7.931 2.428 -0.034 1.00 3.35 O ATOM 0 H GLU A 52 -6.585 -2.236 -2.994 1.00 24.43 H new ATOM 0 HA GLU A 52 -6.875 -0.798 -0.421 1.00 33.02 H new ATOM 0 HB2 GLU A 52 -7.811 -0.265 -3.222 1.00 60.21 H new ATOM 0 HB3 GLU A 52 -8.901 0.158 -1.916 1.00 60.21 H new ATOM 0 HG2 GLU A 52 -6.072 1.176 -2.325 1.00 53.51 H new ATOM 0 HG3 GLU A 52 -7.556 2.088 -2.517 1.00 53.51 H new ATOM 815 N PRO A 53 -9.250 -1.718 0.047 1.00 64.52 N ATOM 816 CA PRO A 53 -10.391 -2.506 0.521 1.00 34.11 C ATOM 817 C PRO A 53 -11.539 -2.525 -0.482 1.00 74.14 C ATOM 818 O PRO A 53 -11.604 -3.395 -1.350 1.00 34.34 O ATOM 819 CB PRO A 53 -10.813 -1.783 1.803 1.00 72.14 C ATOM 820 CG PRO A 53 -10.343 -0.381 1.619 1.00 72.40 C ATOM 821 CD PRO A 53 -9.078 -0.471 0.811 1.00 73.33 C ATOM 0 HA PRO A 53 -10.129 -3.553 0.672 1.00 34.11 H new ATOM 0 HB2 PRO A 53 -11.893 -1.823 1.943 1.00 72.14 H new ATOM 0 HB3 PRO A 53 -10.360 -2.240 2.683 1.00 72.14 H new ATOM 0 HG2 PRO A 53 -11.094 0.218 1.103 1.00 72.40 H new ATOM 0 HG3 PRO A 53 -10.159 0.098 2.581 1.00 72.40 H new ATOM 0 HD2 PRO A 53 -8.959 0.390 0.153 1.00 73.33 H new ATOM 0 HD3 PRO A 53 -8.195 -0.509 1.449 1.00 73.33 H new ATOM 829 N GLY A 54 -12.444 -1.558 -0.358 1.00 60.54 N ATOM 830 CA GLY A 54 -13.577 -1.483 -1.262 1.00 13.13 C ATOM 831 C GLY A 54 -13.224 -0.825 -2.581 1.00 74.30 C ATOM 832 O GLY A 54 -13.780 0.216 -2.931 1.00 42.04 O ATOM 0 H GLY A 54 -12.413 -0.826 0.352 1.00 60.54 H new ATOM 0 HA2 GLY A 54 -13.955 -2.488 -1.450 1.00 13.13 H new ATOM 0 HA3 GLY A 54 -14.382 -0.924 -0.785 1.00 13.13 H new ATOM 836 N ARG A 55 -12.297 -1.433 -3.314 1.00 31.11 N ATOM 837 CA ARG A 55 -11.869 -0.898 -4.601 1.00 24.23 C ATOM 838 C ARG A 55 -11.871 -1.987 -5.670 1.00 3.01 C ATOM 839 O ARG A 55 -12.277 -1.753 -6.807 1.00 71.53 O ATOM 840 CB ARG A 55 -10.471 -0.287 -4.483 1.00 53.31 C ATOM 841 CG ARG A 55 -10.450 1.050 -3.761 1.00 15.34 C ATOM 842 CD ARG A 55 -11.270 2.096 -4.500 1.00 51.13 C ATOM 843 NE ARG A 55 -11.122 3.424 -3.911 1.00 54.33 N ATOM 844 CZ ARG A 55 -11.977 4.420 -4.120 1.00 30.35 C ATOM 845 NH1 ARG A 55 -13.035 4.238 -4.898 1.00 21.32 N ATOM 846 NH2 ARG A 55 -11.775 5.600 -3.548 1.00 44.11 N ATOM 0 H ARG A 55 -11.828 -2.296 -3.039 1.00 31.11 H new ATOM 0 HA ARG A 55 -12.574 -0.121 -4.897 1.00 24.23 H new ATOM 0 HB2 ARG A 55 -9.822 -0.986 -3.955 1.00 53.31 H new ATOM 0 HB3 ARG A 55 -10.055 -0.157 -5.482 1.00 53.31 H new ATOM 0 HG2 ARG A 55 -10.842 0.926 -2.752 1.00 15.34 H new ATOM 0 HG3 ARG A 55 -9.421 1.396 -3.663 1.00 15.34 H new ATOM 0 HD2 ARG A 55 -10.961 2.127 -5.545 1.00 51.13 H new ATOM 0 HD3 ARG A 55 -12.321 1.809 -4.486 1.00 51.13 H new ATOM 0 HE ARG A 55 -10.319 3.597 -3.306 1.00 54.33 H new ATOM 0 HH11 ARG A 55 -13.195 3.332 -5.338 1.00 21.32 H new ATOM 0 HH12 ARG A 55 -13.689 5.004 -5.056 1.00 21.32 H new ATOM 0 HH21 ARG A 55 -10.963 5.743 -2.947 1.00 44.11 H new ATOM 0 HH22 ARG A 55 -12.432 6.364 -3.709 1.00 44.11 H new ATOM 860 N GLY A 56 -11.413 -3.178 -5.296 1.00 2.14 N ATOM 861 CA GLY A 56 -11.370 -4.284 -6.234 1.00 21.44 C ATOM 862 C GLY A 56 -12.426 -5.332 -5.943 1.00 24.54 C ATOM 863 O GLY A 56 -12.821 -5.523 -4.793 1.00 54.34 O ATOM 0 H GLY A 56 -11.071 -3.396 -4.360 1.00 2.14 H new ATOM 0 HA2 GLY A 56 -11.509 -3.904 -7.246 1.00 21.44 H new ATOM 0 HA3 GLY A 56 -10.384 -4.747 -6.200 1.00 21.44 H new ATOM 867 N GLY A 57 -12.885 -6.014 -6.988 1.00 23.21 N ATOM 868 CA GLY A 57 -13.898 -7.039 -6.818 1.00 53.21 C ATOM 869 C GLY A 57 -13.560 -8.010 -5.704 1.00 55.40 C ATOM 870 O GLY A 57 -14.325 -8.164 -4.751 1.00 60.24 O ATOM 0 H GLY A 57 -12.573 -5.875 -7.949 1.00 23.21 H new ATOM 0 HA2 GLY A 57 -14.857 -6.566 -6.605 1.00 53.21 H new ATOM 0 HA3 GLY A 57 -14.014 -7.589 -7.752 1.00 53.21 H new ATOM 874 N LYS A 58 -12.412 -8.668 -5.823 1.00 13.31 N ATOM 875 CA LYS A 58 -11.974 -9.630 -4.819 1.00 3.43 C ATOM 876 C LYS A 58 -11.588 -8.925 -3.522 1.00 14.10 C ATOM 877 O LYS A 58 -11.371 -9.568 -2.496 1.00 12.43 O ATOM 878 CB LYS A 58 -10.786 -10.440 -5.343 1.00 73.04 C ATOM 879 CG LYS A 58 -11.104 -11.248 -6.590 1.00 15.23 C ATOM 880 CD LYS A 58 -12.239 -12.229 -6.344 1.00 43.30 C ATOM 881 CE LYS A 58 -11.882 -13.233 -5.259 1.00 62.11 C ATOM 882 NZ LYS A 58 -10.612 -13.949 -5.562 1.00 44.01 N ATOM 0 H LYS A 58 -11.768 -8.552 -6.605 1.00 13.31 H new ATOM 0 HA LYS A 58 -12.804 -10.305 -4.613 1.00 3.43 H new ATOM 0 HB2 LYS A 58 -9.962 -9.761 -5.561 1.00 73.04 H new ATOM 0 HB3 LYS A 58 -10.444 -11.116 -4.559 1.00 73.04 H new ATOM 0 HG2 LYS A 58 -11.374 -10.574 -7.403 1.00 15.23 H new ATOM 0 HG3 LYS A 58 -10.215 -11.791 -6.909 1.00 15.23 H new ATOM 0 HD2 LYS A 58 -13.137 -11.683 -6.055 1.00 43.30 H new ATOM 0 HD3 LYS A 58 -12.471 -12.758 -7.268 1.00 43.30 H new ATOM 0 HE2 LYS A 58 -11.789 -12.717 -4.303 1.00 62.11 H new ATOM 0 HE3 LYS A 58 -12.690 -13.956 -5.153 1.00 62.11 H new ATOM 0 HZ1 LYS A 58 -10.523 -14.777 -4.939 1.00 44.01 H new ATOM 0 HZ2 LYS A 58 -10.618 -14.261 -6.554 1.00 44.01 H new ATOM 0 HZ3 LYS A 58 -9.807 -13.309 -5.405 1.00 44.01 H new ATOM 896 N GLY A 59 -11.507 -7.599 -3.576 1.00 3.22 N ATOM 897 CA GLY A 59 -11.149 -6.829 -2.399 1.00 20.24 C ATOM 898 C GLY A 59 -9.918 -5.972 -2.618 1.00 71.22 C ATOM 899 O GLY A 59 -10.009 -4.770 -2.870 1.00 70.51 O ATOM 0 H GLY A 59 -11.683 -7.044 -4.414 1.00 3.22 H new ATOM 0 HA2 GLY A 59 -11.987 -6.191 -2.118 1.00 20.24 H new ATOM 0 HA3 GLY A 59 -10.971 -7.508 -1.565 1.00 20.24 H new ATOM 903 N PRO A 60 -8.734 -6.594 -2.521 1.00 21.51 N ATOM 904 CA PRO A 60 -7.457 -5.899 -2.706 1.00 63.21 C ATOM 905 C PRO A 60 -7.229 -5.482 -4.155 1.00 2.42 C ATOM 906 O PRO A 60 -7.044 -6.326 -5.031 1.00 43.31 O ATOM 907 CB PRO A 60 -6.420 -6.942 -2.281 1.00 32.22 C ATOM 908 CG PRO A 60 -7.091 -8.254 -2.501 1.00 23.32 C ATOM 909 CD PRO A 60 -8.551 -8.025 -2.223 1.00 44.11 C ATOM 0 HA PRO A 60 -7.410 -4.973 -2.133 1.00 63.21 H new ATOM 0 HB2 PRO A 60 -5.509 -6.859 -2.874 1.00 32.22 H new ATOM 0 HB3 PRO A 60 -6.134 -6.814 -1.237 1.00 32.22 H new ATOM 0 HG2 PRO A 60 -6.938 -8.604 -3.522 1.00 23.32 H new ATOM 0 HG3 PRO A 60 -6.683 -9.017 -1.838 1.00 23.32 H new ATOM 0 HD2 PRO A 60 -9.183 -8.651 -2.853 1.00 44.11 H new ATOM 0 HD3 PRO A 60 -8.804 -8.256 -1.188 1.00 44.11 H new ATOM 917 N GLN A 61 -7.243 -4.175 -4.399 1.00 33.25 N ATOM 918 CA GLN A 61 -7.038 -3.647 -5.742 1.00 51.10 C ATOM 919 C GLN A 61 -5.763 -2.813 -5.810 1.00 53.51 C ATOM 920 O GLN A 61 -5.221 -2.405 -4.783 1.00 60.23 O ATOM 921 CB GLN A 61 -8.239 -2.801 -6.169 1.00 41.01 C ATOM 922 CG GLN A 61 -8.554 -2.898 -7.653 1.00 14.30 C ATOM 923 CD GLN A 61 -9.626 -1.918 -8.087 1.00 14.41 C ATOM 924 OE1 GLN A 61 -10.621 -2.300 -8.704 1.00 63.43 O ATOM 925 NE2 GLN A 61 -9.430 -0.644 -7.765 1.00 60.33 N ATOM 0 H GLN A 61 -7.394 -3.463 -3.684 1.00 33.25 H new ATOM 0 HA GLN A 61 -6.936 -4.490 -6.425 1.00 51.10 H new ATOM 0 HB2 GLN A 61 -9.114 -3.113 -5.599 1.00 41.01 H new ATOM 0 HB3 GLN A 61 -8.048 -1.759 -5.914 1.00 41.01 H new ATOM 0 HG2 GLN A 61 -7.645 -2.714 -8.226 1.00 14.30 H new ATOM 0 HG3 GLN A 61 -8.878 -3.912 -7.886 1.00 14.30 H new ATOM 0 HE21 GLN A 61 -8.591 -0.371 -7.253 1.00 60.33 H new ATOM 0 HE22 GLN A 61 -10.118 0.061 -8.030 1.00 60.33 H new ATOM 934 N ALA A 62 -5.290 -2.562 -7.027 1.00 31.25 N ATOM 935 CA ALA A 62 -4.080 -1.775 -7.228 1.00 70.14 C ATOM 936 C ALA A 62 -4.398 -0.285 -7.285 1.00 43.32 C ATOM 937 O ALA A 62 -4.110 0.385 -8.278 1.00 33.24 O ATOM 938 CB ALA A 62 -3.371 -2.214 -8.501 1.00 22.42 C ATOM 0 H ALA A 62 -5.726 -2.892 -7.888 1.00 31.25 H new ATOM 0 HA ALA A 62 -3.419 -1.947 -6.379 1.00 70.14 H new ATOM 0 HB1 ALA A 62 -2.469 -1.618 -8.639 1.00 22.42 H new ATOM 0 HB2 ALA A 62 -3.102 -3.267 -8.423 1.00 22.42 H new ATOM 0 HB3 ALA A 62 -4.034 -2.072 -9.354 1.00 22.42 H new ATOM 944 N LYS A 63 -4.993 0.230 -6.215 1.00 32.35 N ATOM 945 CA LYS A 63 -5.350 1.642 -6.141 1.00 71.52 C ATOM 946 C LYS A 63 -4.227 2.516 -6.689 1.00 63.10 C ATOM 947 O LYS A 63 -4.460 3.400 -7.514 1.00 23.22 O ATOM 948 CB LYS A 63 -5.659 2.036 -4.695 1.00 51.23 C ATOM 949 CG LYS A 63 -5.732 3.538 -4.477 1.00 24.41 C ATOM 950 CD LYS A 63 -6.721 4.192 -5.427 1.00 5.22 C ATOM 951 CE LYS A 63 -8.120 3.623 -5.253 1.00 54.22 C ATOM 952 NZ LYS A 63 -9.095 4.255 -6.185 1.00 73.30 N ATOM 0 H LYS A 63 -5.239 -0.310 -5.385 1.00 32.35 H new ATOM 0 HA LYS A 63 -6.239 1.799 -6.751 1.00 71.52 H new ATOM 0 HB2 LYS A 63 -6.608 1.588 -4.400 1.00 51.23 H new ATOM 0 HB3 LYS A 63 -4.892 1.619 -4.042 1.00 51.23 H new ATOM 0 HG2 LYS A 63 -6.025 3.743 -3.447 1.00 24.41 H new ATOM 0 HG3 LYS A 63 -4.744 3.976 -4.621 1.00 24.41 H new ATOM 0 HD2 LYS A 63 -6.740 5.267 -5.251 1.00 5.22 H new ATOM 0 HD3 LYS A 63 -6.392 4.043 -6.455 1.00 5.22 H new ATOM 0 HE2 LYS A 63 -8.098 2.547 -5.425 1.00 54.22 H new ATOM 0 HE3 LYS A 63 -8.449 3.775 -4.225 1.00 54.22 H new ATOM 0 HZ1 LYS A 63 -9.782 4.815 -5.641 1.00 73.30 H new ATOM 0 HZ2 LYS A 63 -8.589 4.876 -6.848 1.00 73.30 H new ATOM 0 HZ3 LYS A 63 -9.596 3.515 -6.717 1.00 73.30 H new ATOM 966 N LYS A 64 -3.007 2.263 -6.227 1.00 31.25 N ATOM 967 CA LYS A 64 -1.846 3.024 -6.672 1.00 12.44 C ATOM 968 C LYS A 64 -0.782 2.102 -7.258 1.00 32.25 C ATOM 969 O LYS A 64 -0.013 1.480 -6.524 1.00 40.42 O ATOM 970 CB LYS A 64 -1.258 3.824 -5.507 1.00 22.11 C ATOM 971 CG LYS A 64 -1.107 5.306 -5.801 1.00 55.42 C ATOM 972 CD LYS A 64 -2.451 6.015 -5.794 1.00 14.52 C ATOM 973 CE LYS A 64 -3.035 6.089 -4.391 1.00 72.42 C ATOM 974 NZ LYS A 64 -4.316 6.847 -4.362 1.00 53.35 N ATOM 0 H LYS A 64 -2.797 1.536 -5.544 1.00 31.25 H new ATOM 0 HA LYS A 64 -2.172 3.714 -7.451 1.00 12.44 H new ATOM 0 HB2 LYS A 64 -1.897 3.699 -4.633 1.00 22.11 H new ATOM 0 HB3 LYS A 64 -0.282 3.412 -5.250 1.00 22.11 H new ATOM 0 HG2 LYS A 64 -0.451 5.760 -5.058 1.00 55.42 H new ATOM 0 HG3 LYS A 64 -0.630 5.439 -6.772 1.00 55.42 H new ATOM 0 HD2 LYS A 64 -2.334 7.022 -6.194 1.00 14.52 H new ATOM 0 HD3 LYS A 64 -3.144 5.489 -6.451 1.00 14.52 H new ATOM 0 HE2 LYS A 64 -3.202 5.080 -4.013 1.00 72.42 H new ATOM 0 HE3 LYS A 64 -2.317 6.565 -3.723 1.00 72.42 H new ATOM 0 HZ1 LYS A 64 -4.766 6.733 -3.431 1.00 53.35 H new ATOM 0 HZ2 LYS A 64 -4.127 7.855 -4.533 1.00 53.35 H new ATOM 0 HZ3 LYS A 64 -4.951 6.484 -5.101 1.00 53.35 H new ATOM 988 N VAL A 65 -0.743 2.018 -8.584 1.00 1.24 N ATOM 989 CA VAL A 65 0.229 1.174 -9.268 1.00 33.51 C ATOM 990 C VAL A 65 1.382 2.002 -9.824 1.00 32.43 C ATOM 991 O VAL A 65 1.190 3.137 -10.260 1.00 64.20 O ATOM 992 CB VAL A 65 -0.425 0.386 -10.419 1.00 24.30 C ATOM 993 CG1 VAL A 65 0.340 0.602 -11.716 1.00 0.21 C ATOM 994 CG2 VAL A 65 -0.500 -1.094 -10.076 1.00 21.35 C ATOM 0 H VAL A 65 -1.373 2.524 -9.206 1.00 1.24 H new ATOM 0 HA VAL A 65 0.614 0.472 -8.529 1.00 33.51 H new ATOM 0 HB VAL A 65 -1.441 0.756 -10.558 1.00 24.30 H new ATOM 0 HG11 VAL A 65 -0.136 0.038 -12.518 1.00 0.21 H new ATOM 0 HG12 VAL A 65 0.338 1.663 -11.968 1.00 0.21 H new ATOM 0 HG13 VAL A 65 1.368 0.261 -11.593 1.00 0.21 H new ATOM 0 HG21 VAL A 65 -0.965 -1.635 -10.900 1.00 21.35 H new ATOM 0 HG22 VAL A 65 0.506 -1.480 -9.909 1.00 21.35 H new ATOM 0 HG23 VAL A 65 -1.095 -1.228 -9.172 1.00 21.35 H new ATOM 1004 N ARG A 66 2.579 1.426 -9.805 1.00 64.31 N ATOM 1005 CA ARG A 66 3.765 2.111 -10.307 1.00 35.22 C ATOM 1006 C ARG A 66 4.568 1.201 -11.231 1.00 62.20 C ATOM 1007 O ARG A 66 4.484 -0.024 -11.139 1.00 43.01 O ATOM 1008 CB ARG A 66 4.642 2.576 -9.143 1.00 15.30 C ATOM 1009 CG ARG A 66 3.854 3.174 -7.988 1.00 63.31 C ATOM 1010 CD ARG A 66 4.774 3.797 -6.950 1.00 44.33 C ATOM 1011 NE ARG A 66 4.041 4.622 -5.994 1.00 21.14 N ATOM 1012 CZ ARG A 66 4.595 5.164 -4.915 1.00 13.31 C ATOM 1013 NH1 ARG A 66 5.881 4.971 -4.657 1.00 72.32 N ATOM 1014 NH2 ARG A 66 3.862 5.903 -4.091 1.00 74.34 N ATOM 0 H ARG A 66 2.754 0.487 -9.448 1.00 64.31 H new ATOM 0 HA ARG A 66 3.438 2.981 -10.877 1.00 35.22 H new ATOM 0 HB2 ARG A 66 5.223 1.730 -8.776 1.00 15.30 H new ATOM 0 HB3 ARG A 66 5.354 3.316 -9.508 1.00 15.30 H new ATOM 0 HG2 ARG A 66 3.167 3.930 -8.368 1.00 63.31 H new ATOM 0 HG3 ARG A 66 3.247 2.399 -7.520 1.00 63.31 H new ATOM 0 HD2 ARG A 66 5.305 3.009 -6.416 1.00 44.33 H new ATOM 0 HD3 ARG A 66 5.527 4.405 -7.451 1.00 44.33 H new ATOM 0 HE ARG A 66 3.050 4.791 -6.164 1.00 21.14 H new ATOM 0 HH11 ARG A 66 6.448 4.405 -5.288 1.00 72.32 H new ATOM 0 HH12 ARG A 66 6.303 5.389 -3.828 1.00 72.32 H new ATOM 0 HH21 ARG A 66 2.872 6.055 -4.286 1.00 74.34 H new ATOM 0 HH22 ARG A 66 4.288 6.319 -3.263 1.00 74.34 H new ATOM 1028 N ARG A 67 5.346 1.808 -12.121 1.00 50.32 N ATOM 1029 CA ARG A 67 6.163 1.053 -13.063 1.00 41.12 C ATOM 1030 C ARG A 67 7.570 0.839 -12.512 1.00 71.34 C ATOM 1031 O ARG A 67 8.206 1.775 -12.027 1.00 63.51 O ATOM 1032 CB ARG A 67 6.235 1.781 -14.407 1.00 4.54 C ATOM 1033 CG ARG A 67 4.883 1.957 -15.078 1.00 10.45 C ATOM 1034 CD ARG A 67 4.972 1.728 -16.578 1.00 74.32 C ATOM 1035 NE ARG A 67 4.474 2.872 -17.337 1.00 62.13 N ATOM 1036 CZ ARG A 67 5.148 4.008 -17.481 1.00 21.42 C ATOM 1037 NH1 ARG A 67 6.341 4.150 -16.920 1.00 21.20 N ATOM 1038 NH2 ARG A 67 4.629 5.004 -18.187 1.00 31.11 N ATOM 0 H ARG A 67 5.428 2.821 -12.209 1.00 50.32 H new ATOM 0 HA ARG A 67 5.697 0.079 -13.210 1.00 41.12 H new ATOM 0 HB2 ARG A 67 6.686 2.762 -14.256 1.00 4.54 H new ATOM 0 HB3 ARG A 67 6.894 1.227 -15.076 1.00 4.54 H new ATOM 0 HG2 ARG A 67 4.167 1.259 -14.644 1.00 10.45 H new ATOM 0 HG3 ARG A 67 4.507 2.962 -14.884 1.00 10.45 H new ATOM 0 HD2 ARG A 67 6.008 1.533 -16.854 1.00 74.32 H new ATOM 0 HD3 ARG A 67 4.399 0.840 -16.844 1.00 74.32 H new ATOM 0 HE ARG A 67 3.559 2.795 -17.781 1.00 62.13 H new ATOM 0 HH11 ARG A 67 6.743 3.386 -16.377 1.00 21.20 H new ATOM 0 HH12 ARG A 67 6.857 5.023 -17.032 1.00 21.20 H new ATOM 0 HH21 ARG A 67 3.712 4.898 -18.620 1.00 31.11 H new ATOM 0 HH22 ARG A 67 5.147 5.876 -18.297 1.00 31.11 H new ATOM 1052 N ILE A 68 8.048 -0.399 -12.591 1.00 0.53 N ATOM 1053 CA ILE A 68 9.379 -0.735 -12.101 1.00 31.03 C ATOM 1054 C ILE A 68 10.091 -1.689 -13.054 1.00 33.11 C ATOM 1055 O ILE A 68 9.995 -2.909 -12.915 1.00 4.51 O ATOM 1056 CB ILE A 68 9.318 -1.376 -10.701 1.00 44.45 C ATOM 1057 CG1 ILE A 68 8.648 -0.423 -9.709 1.00 71.22 C ATOM 1058 CG2 ILE A 68 10.716 -1.745 -10.227 1.00 71.53 C ATOM 1059 CD1 ILE A 68 9.630 0.380 -8.886 1.00 14.45 C ATOM 0 H ILE A 68 7.534 -1.185 -12.989 1.00 0.53 H new ATOM 0 HA ILE A 68 9.938 0.199 -12.040 1.00 31.03 H new ATOM 0 HB ILE A 68 8.723 -2.287 -10.760 1.00 44.45 H new ATOM 0 HG12 ILE A 68 8.000 0.261 -10.256 1.00 71.22 H new ATOM 0 HG13 ILE A 68 8.010 -0.999 -9.039 1.00 71.22 H new ATOM 0 HG21 ILE A 68 10.657 -2.197 -9.237 1.00 71.53 H new ATOM 0 HG22 ILE A 68 11.161 -2.455 -10.924 1.00 71.53 H new ATOM 0 HG23 ILE A 68 11.333 -0.848 -10.180 1.00 71.53 H new ATOM 0 HD11 ILE A 68 9.085 1.034 -8.205 1.00 14.45 H new ATOM 0 HD12 ILE A 68 10.262 -0.297 -8.311 1.00 14.45 H new ATOM 0 HD13 ILE A 68 10.252 0.983 -9.548 1.00 14.45 H new