USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 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 21 ASN : amide:sc= -5.35! C(o=-8.6!,f=-3.5!) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.21 K(o=-8.6,f=-11!) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.477 K(o=1.1,f=-1.9) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.607 K(o=1.1,f=-1.8) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.983 K(o=-21,f=-22!) USER MOD Set 3.2: A 26 GLN : amide:sc= -12.9! C(o=-21!,f=-12!) USER MOD Set 3.3: A 55 GLN : amide:sc= -7.12! C(o=-21!,f=-17!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0612 (180deg=-0.662) USER MOD Single : A 3 ASN : amide:sc= -0.139 K(o=-0.14,f=-3.6!) USER MOD Single : A 4 LYS NZ :NH3+ -123:sc= -0.481 (180deg=-3.09!) USER MOD Single : A 6 ASN : amide:sc= -0.905 K(o=-0.9,f=-4.8!) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -0.628 (180deg=-2.38!) USER MOD Single : A 13 THR OG1 : rot 77:sc= 0.628 USER MOD Single : A 18 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.2) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= 0.179 (180deg=-0.219) USER MOD Single : A 33 SER OG : rot 70:sc= 1.01 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -91:sc= 0.0101 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= -1.06 (180deg=-1.12) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.842 (180deg=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.047 -7.169 4.752 1.00 0.00 N ATOM 2 CA VAL A 1 18.567 -6.988 4.733 1.00 0.00 C ATOM 3 C VAL A 1 17.915 -8.091 5.566 1.00 0.00 C ATOM 4 O VAL A 1 18.366 -9.239 5.553 1.00 0.00 O ATOM 5 CB VAL A 1 18.060 -7.049 3.280 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.539 -6.834 3.244 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.747 -5.956 2.447 1.00 0.00 C ATOM 0 H1 VAL A 1 20.510 -6.270 4.510 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.348 -7.469 5.701 1.00 0.00 H new ATOM 0 H3 VAL A 1 20.317 -7.895 4.058 1.00 0.00 H new ATOM 0 HA VAL A 1 18.307 -6.018 5.157 1.00 0.00 H new ATOM 0 HB VAL A 1 18.295 -8.029 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.190 -6.879 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.048 -7.612 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.299 -5.858 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.387 -6.001 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.517 -4.978 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.826 -6.112 2.460 1.00 0.00 H new ATOM 19 N ASP A 2 16.852 -7.730 6.285 1.00 0.00 N ATOM 20 CA ASP A 2 16.133 -8.686 7.123 1.00 0.00 C ATOM 21 C ASP A 2 15.234 -9.572 6.260 1.00 0.00 C ATOM 22 O ASP A 2 14.452 -9.075 5.448 1.00 0.00 O ATOM 23 CB ASP A 2 15.285 -7.931 8.166 1.00 0.00 C ATOM 24 CG ASP A 2 14.716 -8.874 9.244 1.00 0.00 C ATOM 25 OD1 ASP A 2 14.882 -10.082 9.134 1.00 0.00 O ATOM 26 OD2 ASP A 2 14.115 -8.365 10.176 1.00 0.00 O ATOM 0 H ASP A 2 16.471 -6.784 6.303 1.00 0.00 H new ATOM 0 HA ASP A 2 16.855 -9.318 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.896 -7.164 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.464 -7.419 7.663 1.00 0.00 H new ATOM 31 N ASN A 3 15.355 -10.885 6.449 1.00 0.00 N ATOM 32 CA ASN A 3 14.558 -11.852 5.694 1.00 0.00 C ATOM 33 C ASN A 3 13.137 -11.963 6.264 1.00 0.00 C ATOM 34 O ASN A 3 12.376 -12.856 5.884 1.00 0.00 O ATOM 35 CB ASN A 3 15.249 -13.227 5.733 1.00 0.00 C ATOM 36 CG ASN A 3 15.197 -13.827 7.142 1.00 0.00 C ATOM 37 OD1 ASN A 3 15.120 -13.101 8.135 1.00 0.00 O ATOM 38 ND2 ASN A 3 15.236 -15.122 7.286 1.00 0.00 N ATOM 0 H ASN A 3 15.999 -11.305 7.120 1.00 0.00 H new ATOM 0 HA ASN A 3 14.481 -11.508 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.764 -13.902 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.287 -13.126 5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.203 -15.533 8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.300 -15.725 6.466 1.00 0.00 H new ATOM 45 N LYS A 4 12.794 -11.051 7.176 1.00 0.00 N ATOM 46 CA LYS A 4 11.474 -11.046 7.803 1.00 0.00 C ATOM 47 C LYS A 4 10.382 -10.799 6.763 1.00 0.00 C ATOM 48 O LYS A 4 10.542 -9.966 5.867 1.00 0.00 O ATOM 49 CB LYS A 4 11.420 -9.949 8.875 1.00 0.00 C ATOM 50 CG LYS A 4 10.250 -10.198 9.840 1.00 0.00 C ATOM 51 CD LYS A 4 10.674 -11.180 10.946 1.00 0.00 C ATOM 52 CE LYS A 4 11.639 -10.494 11.928 1.00 0.00 C ATOM 53 NZ LYS A 4 13.050 -10.782 11.531 1.00 0.00 N ATOM 0 H LYS A 4 13.414 -10.307 7.496 1.00 0.00 H new ATOM 0 HA LYS A 4 11.303 -12.020 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.358 -9.927 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.307 -8.974 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.928 -9.256 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.397 -10.601 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.794 -11.538 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.155 -12.052 10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.465 -9.418 11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.456 -10.851 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.549 -11.231 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.056 -11.422 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.528 -9.893 11.280 1.00 0.00 H new ATOM 67 N PHE A 5 9.273 -11.527 6.898 1.00 0.00 N ATOM 68 CA PHE A 5 8.149 -11.388 5.973 1.00 0.00 C ATOM 69 C PHE A 5 7.523 -10.001 6.093 1.00 0.00 C ATOM 70 O PHE A 5 6.933 -9.483 5.143 1.00 0.00 O ATOM 71 CB PHE A 5 7.094 -12.469 6.259 1.00 0.00 C ATOM 72 CG PHE A 5 6.459 -12.228 7.617 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.084 -12.700 8.780 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.247 -11.529 7.710 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.499 -12.472 10.030 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.664 -11.305 8.961 1.00 0.00 C ATOM 77 CZ PHE A 5 5.289 -11.776 10.121 1.00 0.00 C ATOM 0 H PHE A 5 9.130 -12.216 7.636 1.00 0.00 H new ATOM 0 HA PHE A 5 8.520 -11.513 4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.329 -12.456 5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.556 -13.456 6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.017 -13.240 8.711 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.764 -11.164 6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.982 -12.834 10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.730 -10.768 9.032 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.837 -11.602 11.086 1.00 0.00 H new ATOM 87 N ASN A 6 7.671 -9.414 7.278 1.00 0.00 N ATOM 88 CA ASN A 6 7.139 -8.082 7.562 1.00 0.00 C ATOM 89 C ASN A 6 7.712 -7.047 6.595 1.00 0.00 C ATOM 90 O ASN A 6 7.085 -6.022 6.323 1.00 0.00 O ATOM 91 CB ASN A 6 7.474 -7.680 8.998 1.00 0.00 C ATOM 92 CG ASN A 6 6.780 -8.619 9.981 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.437 -9.389 10.678 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.480 -8.598 10.079 1.00 0.00 N ATOM 0 H ASN A 6 8.159 -9.844 8.064 1.00 0.00 H new ATOM 0 HA ASN A 6 6.057 -8.115 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.553 -7.713 9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.158 -6.653 9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.008 -9.221 10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.935 -7.959 9.500 1.00 0.00 H new ATOM 101 N LYS A 7 8.913 -7.329 6.089 1.00 0.00 N ATOM 102 CA LYS A 7 9.593 -6.435 5.157 1.00 0.00 C ATOM 103 C LYS A 7 8.719 -6.134 3.942 1.00 0.00 C ATOM 104 O LYS A 7 8.694 -5.006 3.449 1.00 0.00 O ATOM 105 CB LYS A 7 10.900 -7.094 4.715 1.00 0.00 C ATOM 106 CG LYS A 7 11.705 -6.151 3.814 1.00 0.00 C ATOM 107 CD LYS A 7 13.063 -6.791 3.497 1.00 0.00 C ATOM 108 CE LYS A 7 12.880 -8.003 2.568 1.00 0.00 C ATOM 109 NZ LYS A 7 12.593 -9.223 3.379 1.00 0.00 N ATOM 0 H LYS A 7 9.436 -8.176 6.312 1.00 0.00 H new ATOM 0 HA LYS A 7 9.798 -5.488 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.492 -7.362 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.684 -8.019 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.158 -5.955 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.849 -5.191 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.716 -6.058 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.550 -7.103 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.063 -7.818 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.780 -8.155 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.045 -10.048 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.968 -9.097 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.565 -9.375 3.425 1.00 0.00 H new ATOM 123 N GLU A 8 8.004 -7.151 3.480 1.00 0.00 N ATOM 124 CA GLU A 8 7.118 -7.003 2.323 1.00 0.00 C ATOM 125 C GLU A 8 5.980 -6.042 2.640 1.00 0.00 C ATOM 126 O GLU A 8 5.512 -5.303 1.775 1.00 0.00 O ATOM 127 CB GLU A 8 6.546 -8.362 1.902 1.00 0.00 C ATOM 128 CG GLU A 8 7.674 -9.267 1.380 1.00 0.00 C ATOM 129 CD GLU A 8 8.225 -10.132 2.514 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.649 -11.178 2.762 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.209 -9.734 3.121 1.00 0.00 O ATOM 0 H GLU A 8 8.017 -8.087 3.885 1.00 0.00 H new ATOM 0 HA GLU A 8 7.705 -6.597 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.051 -8.836 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.791 -8.224 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.299 -9.902 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.473 -8.658 0.957 1.00 0.00 H new ATOM 138 N LEU A 9 5.543 -6.060 3.887 1.00 0.00 N ATOM 139 CA LEU A 9 4.468 -5.181 4.323 1.00 0.00 C ATOM 140 C LEU A 9 4.972 -3.753 4.432 1.00 0.00 C ATOM 141 O LEU A 9 4.230 -2.809 4.174 1.00 0.00 O ATOM 142 CB LEU A 9 3.890 -5.633 5.673 1.00 0.00 C ATOM 143 CG LEU A 9 3.135 -6.960 5.506 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.133 -8.089 5.242 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.338 -7.265 6.781 1.00 0.00 C ATOM 0 H LEU A 9 5.913 -6.671 4.615 1.00 0.00 H new ATOM 0 HA LEU A 9 3.674 -5.230 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.693 -5.752 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.217 -4.869 6.063 1.00 0.00 H new ATOM 0 HG LEU A 9 2.449 -6.880 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.595 -9.030 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.693 -7.874 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.823 -8.169 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.803 -8.207 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.021 -7.342 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.623 -6.463 6.964 1.00 0.00 H new ATOM 157 N GLY A 10 6.256 -3.606 4.779 1.00 0.00 N ATOM 158 CA GLY A 10 6.864 -2.290 4.885 1.00 0.00 C ATOM 159 C GLY A 10 7.107 -1.772 3.493 1.00 0.00 C ATOM 160 O GLY A 10 7.099 -0.564 3.238 1.00 0.00 O ATOM 0 H GLY A 10 6.884 -4.382 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.211 -1.612 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.801 -2.348 5.438 1.00 0.00 H new ATOM 164 N TRP A 11 7.324 -2.728 2.596 1.00 0.00 N ATOM 165 CA TRP A 11 7.577 -2.435 1.210 1.00 0.00 C ATOM 166 C TRP A 11 6.424 -1.653 0.604 1.00 0.00 C ATOM 167 O TRP A 11 6.609 -0.588 0.040 1.00 0.00 O ATOM 168 CB TRP A 11 7.727 -3.757 0.456 1.00 0.00 C ATOM 169 CG TRP A 11 8.308 -3.481 -0.870 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.614 -3.350 -1.095 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.631 -3.290 -2.141 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.803 -3.055 -2.436 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.606 -3.025 -3.125 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.281 -3.320 -2.529 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.256 -2.795 -4.454 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.922 -3.091 -3.866 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.908 -2.829 -4.828 1.00 0.00 C ATOM 0 H TRP A 11 7.327 -3.723 2.820 1.00 0.00 H new ATOM 0 HA TRP A 11 8.484 -1.835 1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.367 -4.440 1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.757 -4.244 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.395 -3.456 -0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.714 -2.881 -2.862 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.515 -3.520 -1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.020 -2.592 -5.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.882 -3.117 -4.155 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.627 -2.654 -5.856 1.00 0.00 H new ATOM 188 N ALA A 12 5.226 -2.182 0.734 1.00 0.00 N ATOM 189 CA ALA A 12 4.068 -1.498 0.195 1.00 0.00 C ATOM 190 C ALA A 12 3.725 -0.243 0.982 1.00 0.00 C ATOM 191 O ALA A 12 3.165 0.699 0.439 1.00 0.00 O ATOM 192 CB ALA A 12 2.866 -2.414 0.174 1.00 0.00 C ATOM 0 H ALA A 12 5.029 -3.068 1.200 1.00 0.00 H new ATOM 0 HA ALA A 12 4.326 -1.204 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.008 -1.880 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.082 -3.283 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.640 -2.741 1.189 1.00 0.00 H new ATOM 198 N THR A 13 3.998 -0.262 2.281 1.00 0.00 N ATOM 199 CA THR A 13 3.616 0.862 3.126 1.00 0.00 C ATOM 200 C THR A 13 4.238 2.149 2.655 1.00 0.00 C ATOM 201 O THR A 13 3.528 3.131 2.484 1.00 0.00 O ATOM 202 CB THR A 13 4.001 0.614 4.593 1.00 0.00 C ATOM 203 OG1 THR A 13 3.383 -0.578 5.047 1.00 0.00 O ATOM 204 CG2 THR A 13 3.533 1.794 5.462 1.00 0.00 C ATOM 0 H THR A 13 4.472 -1.025 2.764 1.00 0.00 H new ATOM 0 HA THR A 13 2.532 0.953 3.054 1.00 0.00 H new ATOM 0 HB THR A 13 5.084 0.518 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.873 -1.353 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.809 1.613 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.008 2.712 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.450 1.895 5.386 1.00 0.00 H new ATOM 212 N TRP A 14 5.540 2.135 2.415 1.00 0.00 N ATOM 213 CA TRP A 14 6.212 3.327 1.934 1.00 0.00 C ATOM 214 C TRP A 14 5.783 3.616 0.472 1.00 0.00 C ATOM 215 O TRP A 14 5.600 4.776 0.105 1.00 0.00 O ATOM 216 CB TRP A 14 7.743 3.173 2.101 1.00 0.00 C ATOM 217 CG TRP A 14 8.389 3.285 0.772 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.624 4.430 0.096 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.806 2.211 -0.074 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.132 4.106 -1.145 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.265 2.743 -1.289 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.820 0.833 0.101 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.708 1.923 -2.304 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.270 0.002 -0.916 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.706 0.543 -2.120 1.00 0.00 C ATOM 0 H TRP A 14 6.143 1.323 2.544 1.00 0.00 H new ATOM 0 HA TRP A 14 5.918 4.193 2.527 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.127 3.941 2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.977 2.209 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.445 5.429 0.464 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.377 4.788 -1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.479 0.406 1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.054 2.347 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.281 -1.068 -0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.043 -0.108 -2.913 1.00 0.00 H new ATOM 236 N GLU A 15 5.634 2.556 -0.359 1.00 0.00 N ATOM 237 CA GLU A 15 5.244 2.732 -1.764 1.00 0.00 C ATOM 238 C GLU A 15 3.911 3.463 -1.886 1.00 0.00 C ATOM 239 O GLU A 15 3.762 4.407 -2.664 1.00 0.00 O ATOM 240 CB GLU A 15 5.058 1.345 -2.379 1.00 0.00 C ATOM 241 CG GLU A 15 6.392 0.631 -2.558 1.00 0.00 C ATOM 242 CD GLU A 15 7.069 1.040 -3.873 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.203 2.229 -4.113 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.449 0.155 -4.617 1.00 0.00 O ATOM 0 H GLU A 15 5.777 1.586 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 15 6.018 3.313 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.407 0.747 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.561 1.438 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.048 0.866 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.234 -0.447 -2.547 1.00 0.00 H new ATOM 251 N ILE A 16 2.963 3.007 -1.100 1.00 0.00 N ATOM 252 CA ILE A 16 1.619 3.570 -1.057 1.00 0.00 C ATOM 253 C ILE A 16 1.673 4.951 -0.443 1.00 0.00 C ATOM 254 O ILE A 16 1.050 5.891 -0.925 1.00 0.00 O ATOM 255 CB ILE A 16 0.792 2.578 -0.241 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.814 1.272 -1.044 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.660 3.055 -0.002 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.114 0.177 -0.272 1.00 0.00 C ATOM 0 H ILE A 16 3.098 2.224 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 16 1.169 3.702 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 16 1.215 2.461 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.324 1.419 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.844 0.981 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.197 2.308 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.648 4.000 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.160 3.193 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.135 -0.747 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.622 0.021 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.921 0.466 -0.087 1.00 0.00 H new ATOM 270 N PHE A 17 2.461 5.060 0.602 1.00 0.00 N ATOM 271 CA PHE A 17 2.651 6.337 1.287 1.00 0.00 C ATOM 272 C PHE A 17 3.334 7.369 0.382 1.00 0.00 C ATOM 273 O PHE A 17 3.267 8.570 0.649 1.00 0.00 O ATOM 274 CB PHE A 17 3.514 6.131 2.532 1.00 0.00 C ATOM 275 CG PHE A 17 2.676 6.150 3.796 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.624 7.072 3.956 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.960 5.234 4.814 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.870 7.066 5.136 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.208 5.234 5.989 1.00 0.00 C ATOM 280 CZ PHE A 17 1.163 6.151 6.153 1.00 0.00 C ATOM 0 H PHE A 17 2.986 4.283 1.004 1.00 0.00 H new ATOM 0 HA PHE A 17 1.665 6.713 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.041 5.180 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.272 6.913 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.400 7.781 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.764 4.524 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.060 7.770 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.432 4.526 6.773 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.583 6.152 7.064 1.00 0.00 H new ATOM 290 N ASN A 18 3.988 6.897 -0.682 1.00 0.00 N ATOM 291 CA ASN A 18 4.682 7.790 -1.612 1.00 0.00 C ATOM 292 C ASN A 18 3.717 8.342 -2.651 1.00 0.00 C ATOM 293 O ASN A 18 4.134 8.864 -3.689 1.00 0.00 O ATOM 294 CB ASN A 18 5.837 7.051 -2.305 1.00 0.00 C ATOM 295 CG ASN A 18 7.053 6.965 -1.384 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.951 7.212 -0.180 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.211 6.640 -1.886 1.00 0.00 N ATOM 0 H ASN A 18 4.051 5.907 -0.920 1.00 0.00 H new ATOM 0 HA ASN A 18 5.090 8.624 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.516 6.048 -2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.107 7.570 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.032 6.590 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.296 6.436 -2.882 1.00 0.00 H new ATOM 304 N LEU A 19 2.422 8.236 -2.360 1.00 0.00 N ATOM 305 CA LEU A 19 1.411 8.734 -3.265 1.00 0.00 C ATOM 306 C LEU A 19 1.126 10.183 -2.953 1.00 0.00 C ATOM 307 O LEU A 19 0.880 10.535 -1.796 1.00 0.00 O ATOM 308 CB LEU A 19 0.143 7.896 -3.155 1.00 0.00 C ATOM 309 CG LEU A 19 0.355 6.538 -3.842 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.979 5.850 -4.085 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.044 6.721 -5.185 1.00 0.00 C ATOM 0 H LEU A 19 2.058 7.811 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 19 1.775 8.660 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.116 7.747 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.692 8.421 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 19 0.975 5.929 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.810 4.890 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.484 5.690 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.600 6.477 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.186 5.749 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.428 7.350 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.013 7.196 -5.035 1.00 0.00 H new ATOM 323 N PRO A 20 1.207 11.043 -3.940 1.00 0.00 N ATOM 324 CA PRO A 20 1.011 12.484 -3.719 1.00 0.00 C ATOM 325 C PRO A 20 -0.426 12.917 -3.403 1.00 0.00 C ATOM 326 O PRO A 20 -0.657 14.120 -3.246 1.00 0.00 O ATOM 327 CB PRO A 20 1.501 13.163 -5.010 1.00 0.00 C ATOM 328 CG PRO A 20 1.962 12.080 -5.933 1.00 0.00 C ATOM 329 CD PRO A 20 1.494 10.748 -5.356 1.00 0.00 C ATOM 0 HA PRO A 20 1.564 12.776 -2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.699 13.743 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.314 13.857 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.552 12.229 -6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.048 12.095 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.608 10.380 -5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.262 9.980 -5.454 1.00 0.00 H new ATOM 337 N ASN A 21 -1.400 11.991 -3.329 1.00 0.00 N ATOM 338 CA ASN A 21 -2.771 12.415 -3.059 1.00 0.00 C ATOM 339 C ASN A 21 -3.393 11.647 -1.900 1.00 0.00 C ATOM 340 O ASN A 21 -4.486 11.991 -1.462 1.00 0.00 O ATOM 341 CB ASN A 21 -3.616 12.242 -4.325 1.00 0.00 C ATOM 342 CG ASN A 21 -2.963 12.970 -5.499 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.644 14.155 -5.400 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.741 12.328 -6.609 1.00 0.00 N ATOM 0 H ASN A 21 -1.266 10.987 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.747 13.465 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.722 11.183 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.619 12.634 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.303 12.807 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.005 11.346 -6.692 1.00 0.00 H new ATOM 351 N LEU A 22 -2.701 10.621 -1.391 1.00 0.00 N ATOM 352 CA LEU A 22 -3.234 9.850 -0.278 1.00 0.00 C ATOM 353 C LEU A 22 -3.210 10.622 1.026 1.00 0.00 C ATOM 354 O LEU A 22 -2.469 11.592 1.195 1.00 0.00 O ATOM 355 CB LEU A 22 -2.412 8.595 -0.026 1.00 0.00 C ATOM 356 CG LEU A 22 -2.535 7.571 -1.153 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.794 6.291 -0.732 1.00 0.00 C ATOM 358 CD2 LEU A 22 -4.005 7.236 -1.395 1.00 0.00 C ATOM 0 H LEU A 22 -1.789 10.315 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.258 9.612 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.364 8.871 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.732 8.138 0.910 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.106 7.980 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.872 5.548 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.744 6.521 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.241 5.895 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.084 6.505 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.438 6.821 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.544 8.142 -1.673 1.00 0.00 H new ATOM 370 N ASN A 23 -3.992 10.103 1.961 1.00 0.00 N ATOM 371 CA ASN A 23 -4.065 10.625 3.308 1.00 0.00 C ATOM 372 C ASN A 23 -3.805 9.455 4.256 1.00 0.00 C ATOM 373 O ASN A 23 -3.932 8.293 3.854 1.00 0.00 O ATOM 374 CB ASN A 23 -5.439 11.257 3.567 1.00 0.00 C ATOM 375 CG ASN A 23 -6.545 10.297 3.154 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.691 9.236 3.748 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.331 10.602 2.160 1.00 0.00 N ATOM 0 H ASN A 23 -4.598 9.299 1.799 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.324 11.409 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.539 11.506 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.530 12.189 3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.068 9.957 1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.209 11.486 1.666 1.00 0.00 H new ATOM 384 N GLY A 24 -3.422 9.754 5.490 1.00 0.00 N ATOM 385 CA GLY A 24 -3.118 8.717 6.476 1.00 0.00 C ATOM 386 C GLY A 24 -4.193 7.628 6.533 1.00 0.00 C ATOM 387 O GLY A 24 -3.892 6.485 6.862 1.00 0.00 O ATOM 0 H GLY A 24 -3.313 10.707 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.157 8.262 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.017 9.175 7.460 1.00 0.00 H new ATOM 391 N VAL A 25 -5.441 7.985 6.215 1.00 0.00 N ATOM 392 CA VAL A 25 -6.539 7.018 6.250 1.00 0.00 C ATOM 393 C VAL A 25 -6.467 6.044 5.070 1.00 0.00 C ATOM 394 O VAL A 25 -6.548 4.829 5.260 1.00 0.00 O ATOM 395 CB VAL A 25 -7.887 7.754 6.235 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.034 6.736 6.308 1.00 0.00 C ATOM 397 CG2 VAL A 25 -7.964 8.696 7.443 1.00 0.00 C ATOM 0 H VAL A 25 -5.713 8.927 5.933 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.447 6.441 7.170 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.975 8.330 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.989 7.262 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.980 6.065 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.949 6.157 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.920 9.220 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.875 8.117 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.152 9.421 7.391 1.00 0.00 H new ATOM 407 N GLN A 26 -6.330 6.585 3.856 1.00 0.00 N ATOM 408 CA GLN A 26 -6.268 5.767 2.654 1.00 0.00 C ATOM 409 C GLN A 26 -5.019 4.917 2.622 1.00 0.00 C ATOM 410 O GLN A 26 -5.086 3.733 2.293 1.00 0.00 O ATOM 411 CB GLN A 26 -6.341 6.676 1.434 1.00 0.00 C ATOM 412 CG GLN A 26 -7.746 7.291 1.376 1.00 0.00 C ATOM 413 CD GLN A 26 -7.975 8.045 0.067 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.985 8.731 -0.081 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.113 7.948 -0.904 1.00 0.00 N ATOM 0 H GLN A 26 -6.260 7.588 3.686 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.115 5.081 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.586 7.459 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.136 6.110 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.493 6.504 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.881 7.971 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.274 7.380 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.277 8.440 -1.782 1.00 0.00 H new ATOM 424 N VAL A 27 -3.889 5.505 2.990 1.00 0.00 N ATOM 425 CA VAL A 27 -2.648 4.752 3.011 1.00 0.00 C ATOM 426 C VAL A 27 -2.782 3.615 4.004 1.00 0.00 C ATOM 427 O VAL A 27 -2.538 2.467 3.668 1.00 0.00 O ATOM 428 CB VAL A 27 -1.480 5.650 3.427 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.188 4.824 3.395 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.373 6.830 2.458 1.00 0.00 C ATOM 0 H VAL A 27 -3.808 6.482 3.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.451 4.363 2.012 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.642 6.035 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.653 5.452 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.275 3.986 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.023 4.446 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.541 7.470 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.202 6.457 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.299 7.405 2.481 1.00 0.00 H new ATOM 440 N LYS A 28 -3.216 3.964 5.212 1.00 0.00 N ATOM 441 CA LYS A 28 -3.418 2.997 6.286 1.00 0.00 C ATOM 442 C LYS A 28 -4.334 1.891 5.818 1.00 0.00 C ATOM 443 O LYS A 28 -4.145 0.745 6.180 1.00 0.00 O ATOM 444 CB LYS A 28 -4.019 3.669 7.523 1.00 0.00 C ATOM 445 CG LYS A 28 -4.113 2.636 8.650 1.00 0.00 C ATOM 446 CD LYS A 28 -4.731 3.264 9.898 1.00 0.00 C ATOM 447 CE LYS A 28 -4.683 2.241 11.033 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.684 1.165 10.774 1.00 0.00 N ATOM 0 H LYS A 28 -3.437 4.925 5.473 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.447 2.580 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.400 4.511 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.007 4.068 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.716 1.788 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.120 2.251 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.186 4.165 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.761 3.563 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.684 1.812 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.894 2.728 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.039 0.796 11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.477 1.553 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.235 0.395 10.238 1.00 0.00 H new ATOM 462 N ALA A 29 -5.309 2.242 4.992 1.00 0.00 N ATOM 463 CA ALA A 29 -6.228 1.258 4.460 1.00 0.00 C ATOM 464 C ALA A 29 -5.447 0.246 3.643 1.00 0.00 C ATOM 465 O ALA A 29 -5.663 -0.961 3.753 1.00 0.00 O ATOM 466 CB ALA A 29 -7.260 1.941 3.574 1.00 0.00 C ATOM 0 H ALA A 29 -5.480 3.198 4.679 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.741 0.756 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.949 1.196 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.816 2.673 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.755 2.445 2.750 1.00 0.00 H new ATOM 472 N PHE A 30 -4.514 0.753 2.838 1.00 0.00 N ATOM 473 CA PHE A 30 -3.688 -0.089 2.038 1.00 0.00 C ATOM 474 C PHE A 30 -2.669 -0.771 2.929 1.00 0.00 C ATOM 475 O PHE A 30 -2.384 -1.953 2.756 1.00 0.00 O ATOM 476 CB PHE A 30 -3.054 0.735 0.932 1.00 0.00 C ATOM 477 CG PHE A 30 -4.164 1.342 0.099 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.173 0.517 -0.423 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.202 2.720 -0.143 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.203 1.067 -1.172 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.232 3.261 -0.898 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.236 2.435 -1.412 1.00 0.00 C ATOM 0 H PHE A 30 -4.327 1.751 2.737 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.273 -0.872 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.424 1.518 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.412 0.109 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.147 -0.547 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.431 3.361 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.980 0.431 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.259 4.324 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.038 2.861 -1.996 1.00 0.00 H new ATOM 492 N ILE A 31 -2.174 -0.031 3.932 1.00 0.00 N ATOM 493 CA ILE A 31 -1.240 -0.603 4.889 1.00 0.00 C ATOM 494 C ILE A 31 -1.975 -1.725 5.630 1.00 0.00 C ATOM 495 O ILE A 31 -1.382 -2.738 5.986 1.00 0.00 O ATOM 496 CB ILE A 31 -0.715 0.437 5.919 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.230 1.772 5.274 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.468 -0.175 6.677 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.327 1.582 3.867 1.00 0.00 C ATOM 0 H ILE A 31 -2.406 0.949 4.093 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.368 -0.970 4.347 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.554 0.676 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.062 2.476 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.538 2.218 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.846 0.544 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.141 -1.076 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.260 -0.429 5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.648 2.545 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.178 0.901 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.446 1.164 3.223 1.00 0.00 H new ATOM 511 N ASP A 32 -3.285 -1.530 5.841 1.00 0.00 N ATOM 512 CA ASP A 32 -4.114 -2.528 6.516 1.00 0.00 C ATOM 513 C ASP A 32 -4.267 -3.761 5.630 1.00 0.00 C ATOM 514 O ASP A 32 -4.226 -4.895 6.110 1.00 0.00 O ATOM 515 CB ASP A 32 -5.502 -1.940 6.853 1.00 0.00 C ATOM 516 CG ASP A 32 -5.417 -0.877 7.963 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.426 -0.843 8.680 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.354 -0.105 8.076 1.00 0.00 O ATOM 0 H ASP A 32 -3.788 -0.691 5.553 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.626 -2.816 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.936 -1.496 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.170 -2.742 7.168 1.00 0.00 H new ATOM 523 N SER A 33 -4.432 -3.516 4.329 1.00 0.00 N ATOM 524 CA SER A 33 -4.585 -4.592 3.350 1.00 0.00 C ATOM 525 C SER A 33 -3.337 -5.477 3.306 1.00 0.00 C ATOM 526 O SER A 33 -3.427 -6.672 3.019 1.00 0.00 O ATOM 527 CB SER A 33 -4.857 -4.000 1.970 1.00 0.00 C ATOM 528 OG SER A 33 -5.965 -3.112 2.044 1.00 0.00 O ATOM 0 H SER A 33 -4.463 -2.578 3.929 1.00 0.00 H new ATOM 0 HA SER A 33 -5.429 -5.213 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.976 -3.469 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.063 -4.797 1.255 1.00 0.00 H new ATOM 0 HG SER A 33 -5.708 -2.309 2.544 1.00 0.00 H new ATOM 534 N LEU A 34 -2.176 -4.880 3.592 1.00 0.00 N ATOM 535 CA LEU A 34 -0.907 -5.624 3.587 1.00 0.00 C ATOM 536 C LEU A 34 -0.986 -6.795 4.565 1.00 0.00 C ATOM 537 O LEU A 34 -0.548 -7.905 4.264 1.00 0.00 O ATOM 538 CB LEU A 34 0.262 -4.713 4.045 1.00 0.00 C ATOM 539 CG LEU A 34 1.130 -4.239 2.882 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.617 -5.438 2.074 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.310 -3.281 2.023 1.00 0.00 C ATOM 0 H LEU A 34 -2.086 -3.892 3.828 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.733 -5.978 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.142 -3.846 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.882 -5.256 4.758 1.00 0.00 H new ATOM 0 HG LEU A 34 2.011 -3.714 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.236 -5.092 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.204 -6.095 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.760 -5.985 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.916 -2.933 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.571 -3.797 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.001 -2.428 2.626 1.00 0.00 H new ATOM 553 N ARG A 35 -1.553 -6.520 5.738 1.00 0.00 N ATOM 554 CA ARG A 35 -1.705 -7.541 6.779 1.00 0.00 C ATOM 555 C ARG A 35 -2.669 -8.628 6.318 1.00 0.00 C ATOM 556 O ARG A 35 -2.452 -9.814 6.567 1.00 0.00 O ATOM 557 CB ARG A 35 -2.225 -6.908 8.079 1.00 0.00 C ATOM 558 CG ARG A 35 -1.088 -6.168 8.805 1.00 0.00 C ATOM 559 CD ARG A 35 -1.093 -4.684 8.425 1.00 0.00 C ATOM 560 NE ARG A 35 -2.247 -4.012 9.019 1.00 0.00 N ATOM 561 CZ ARG A 35 -2.152 -2.790 9.533 1.00 0.00 C ATOM 562 NH1 ARG A 35 -1.684 -1.814 8.809 1.00 0.00 N ATOM 563 NH2 ARG A 35 -2.532 -2.568 10.757 1.00 0.00 N ATOM 0 H ARG A 35 -1.915 -5.601 5.994 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.728 -7.986 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.035 -6.214 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.638 -7.680 8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.206 -6.275 9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.129 -6.614 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.172 -4.211 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.121 -4.579 7.340 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.147 -4.492 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.390 -1.987 7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.611 -0.876 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.903 -3.332 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.459 -1.630 11.152 1.00 0.00 H new ATOM 577 N ASP A 36 -3.726 -8.202 5.629 1.00 0.00 N ATOM 578 CA ASP A 36 -4.729 -9.121 5.106 1.00 0.00 C ATOM 579 C ASP A 36 -4.113 -10.029 4.051 1.00 0.00 C ATOM 580 O ASP A 36 -4.496 -11.192 3.906 1.00 0.00 O ATOM 581 CB ASP A 36 -5.892 -8.323 4.508 1.00 0.00 C ATOM 582 CG ASP A 36 -6.603 -7.526 5.605 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.147 -8.144 6.506 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.598 -6.309 5.525 1.00 0.00 O ATOM 0 H ASP A 36 -3.908 -7.220 5.420 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.103 -9.743 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.521 -7.646 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.597 -9.000 4.025 1.00 0.00 H new ATOM 589 N ASP A 37 -3.143 -9.475 3.335 1.00 0.00 N ATOM 590 CA ASP A 37 -2.431 -10.197 2.293 1.00 0.00 C ATOM 591 C ASP A 37 -1.208 -9.400 1.861 1.00 0.00 C ATOM 592 O ASP A 37 -1.327 -8.385 1.169 1.00 0.00 O ATOM 593 CB ASP A 37 -3.338 -10.462 1.086 1.00 0.00 C ATOM 594 CG ASP A 37 -2.775 -11.612 0.241 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.583 -11.600 -0.038 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.544 -12.485 -0.121 1.00 0.00 O ATOM 0 H ASP A 37 -2.829 -8.513 3.462 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.115 -11.159 2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.344 -10.709 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.419 -9.561 0.478 1.00 0.00 H new ATOM 601 N PRO A 38 -0.039 -9.832 2.263 1.00 0.00 N ATOM 602 CA PRO A 38 1.229 -9.145 1.918 1.00 0.00 C ATOM 603 C PRO A 38 1.629 -9.330 0.456 1.00 0.00 C ATOM 604 O PRO A 38 2.330 -8.490 -0.111 1.00 0.00 O ATOM 605 CB PRO A 38 2.261 -9.751 2.874 1.00 0.00 C ATOM 606 CG PRO A 38 1.539 -10.730 3.745 1.00 0.00 C ATOM 607 CD PRO A 38 0.208 -11.026 3.085 1.00 0.00 C ATOM 0 HA PRO A 38 1.140 -8.064 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.057 -10.246 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.730 -8.973 3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.122 -11.644 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.390 -10.319 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.253 -11.930 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.581 -11.177 3.822 1.00 0.00 H new ATOM 615 N SER A 39 1.160 -10.419 -0.151 1.00 0.00 N ATOM 616 CA SER A 39 1.454 -10.694 -1.555 1.00 0.00 C ATOM 617 C SER A 39 0.776 -9.647 -2.430 1.00 0.00 C ATOM 618 O SER A 39 1.227 -9.349 -3.536 1.00 0.00 O ATOM 619 CB SER A 39 0.955 -12.091 -1.941 1.00 0.00 C ATOM 620 OG SER A 39 1.342 -13.023 -0.939 1.00 0.00 O ATOM 0 H SER A 39 0.578 -11.122 0.305 1.00 0.00 H new ATOM 0 HA SER A 39 2.533 -10.654 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.130 -12.085 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.370 -12.384 -2.906 1.00 0.00 H new ATOM 0 HG SER A 39 1.023 -13.917 -1.183 1.00 0.00 H new ATOM 626 N GLN A 40 -0.324 -9.108 -1.907 1.00 0.00 N ATOM 627 CA GLN A 40 -1.104 -8.101 -2.611 1.00 0.00 C ATOM 628 C GLN A 40 -0.458 -6.737 -2.572 1.00 0.00 C ATOM 629 O GLN A 40 -0.972 -5.831 -3.196 1.00 0.00 O ATOM 630 CB GLN A 40 -2.504 -7.983 -1.994 1.00 0.00 C ATOM 631 CG GLN A 40 -3.264 -9.301 -2.134 1.00 0.00 C ATOM 632 CD GLN A 40 -3.532 -9.616 -3.605 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.098 -8.794 -4.327 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.154 -10.763 -4.094 1.00 0.00 N ATOM 0 H GLN A 40 -0.695 -9.357 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.163 -8.429 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.422 -7.714 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.058 -7.183 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.687 -10.109 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.208 -9.242 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.685 -11.443 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.327 -10.981 -5.075 1.00 0.00 H new ATOM 643 N SER A 41 0.644 -6.583 -1.842 1.00 0.00 N ATOM 644 CA SER A 41 1.289 -5.278 -1.702 1.00 0.00 C ATOM 645 C SER A 41 1.274 -4.476 -2.999 1.00 0.00 C ATOM 646 O SER A 41 0.986 -3.286 -2.971 1.00 0.00 O ATOM 647 CB SER A 41 2.741 -5.489 -1.266 1.00 0.00 C ATOM 648 OG SER A 41 3.386 -6.361 -2.186 1.00 0.00 O ATOM 0 H SER A 41 1.108 -7.340 -1.340 1.00 0.00 H new ATOM 0 HA SER A 41 0.729 -4.711 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.263 -4.533 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.773 -5.912 -0.262 1.00 0.00 H new ATOM 0 HG SER A 41 3.292 -7.287 -1.880 1.00 0.00 H new ATOM 654 N ALA A 42 1.529 -5.128 -4.125 1.00 0.00 N ATOM 655 CA ALA A 42 1.508 -4.447 -5.412 1.00 0.00 C ATOM 656 C ALA A 42 0.086 -4.019 -5.785 1.00 0.00 C ATOM 657 O ALA A 42 -0.125 -2.966 -6.383 1.00 0.00 O ATOM 658 CB ALA A 42 2.060 -5.376 -6.482 1.00 0.00 C ATOM 0 H ALA A 42 1.752 -6.122 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 42 2.126 -3.552 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.046 -4.869 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.085 -5.651 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.446 -6.275 -6.535 1.00 0.00 H new ATOM 664 N ASN A 43 -0.879 -4.849 -5.408 1.00 0.00 N ATOM 665 CA ASN A 43 -2.279 -4.582 -5.657 1.00 0.00 C ATOM 666 C ASN A 43 -2.754 -3.451 -4.756 1.00 0.00 C ATOM 667 O ASN A 43 -3.509 -2.586 -5.159 1.00 0.00 O ATOM 668 CB ASN A 43 -3.095 -5.845 -5.394 1.00 0.00 C ATOM 669 CG ASN A 43 -4.479 -5.754 -6.034 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.919 -4.680 -6.450 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.192 -6.835 -6.139 1.00 0.00 N ATOM 0 H ASN A 43 -0.706 -5.728 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.413 -4.283 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.565 -6.712 -5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.198 -5.997 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.117 -6.796 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.826 -7.723 -5.794 1.00 0.00 H new ATOM 678 N LEU A 44 -2.260 -3.481 -3.528 1.00 0.00 N ATOM 679 CA LEU A 44 -2.564 -2.479 -2.522 1.00 0.00 C ATOM 680 C LEU A 44 -2.005 -1.183 -3.028 1.00 0.00 C ATOM 681 O LEU A 44 -2.631 -0.135 -2.935 1.00 0.00 O ATOM 682 CB LEU A 44 -1.948 -2.930 -1.188 1.00 0.00 C ATOM 683 CG LEU A 44 -2.379 -4.386 -0.967 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.912 -4.945 0.351 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.880 -4.489 -1.051 1.00 0.00 C ATOM 0 H LEU A 44 -1.629 -4.212 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.632 -2.350 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.861 -2.849 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.292 -2.297 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.908 -4.978 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.248 -5.977 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.823 -4.912 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.326 -4.351 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.183 -5.524 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.331 -3.858 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.213 -4.159 -2.035 1.00 0.00 H new ATOM 697 N LEU A 45 -0.851 -1.322 -3.661 1.00 0.00 N ATOM 698 CA LEU A 45 -0.192 -0.220 -4.322 1.00 0.00 C ATOM 699 C LEU A 45 -1.101 0.268 -5.426 1.00 0.00 C ATOM 700 O LEU A 45 -1.282 1.456 -5.634 1.00 0.00 O ATOM 701 CB LEU A 45 1.077 -0.723 -5.014 1.00 0.00 C ATOM 702 CG LEU A 45 2.341 -0.185 -4.397 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.241 1.332 -4.170 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.526 -0.980 -3.120 1.00 0.00 C ATOM 0 H LEU A 45 -0.348 -2.207 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 45 0.039 0.555 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.097 -1.812 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.045 -0.441 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 45 3.211 -0.302 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.167 1.695 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.078 1.833 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.407 1.546 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.430 -0.645 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.665 -0.828 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.616 -2.039 -3.361 1.00 0.00 H new ATOM 716 N ALA A 46 -1.644 -0.717 -6.138 1.00 0.00 N ATOM 717 CA ALA A 46 -2.524 -0.475 -7.267 1.00 0.00 C ATOM 718 C ALA A 46 -3.756 0.258 -6.807 1.00 0.00 C ATOM 719 O ALA A 46 -4.160 1.262 -7.384 1.00 0.00 O ATOM 720 CB ALA A 46 -2.947 -1.817 -7.866 1.00 0.00 C ATOM 0 H ALA A 46 -1.483 -1.705 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.999 0.124 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.608 -1.644 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.063 -2.361 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.471 -2.403 -7.111 1.00 0.00 H new ATOM 726 N GLU A 47 -4.313 -0.253 -5.728 1.00 0.00 N ATOM 727 CA GLU A 47 -5.468 0.319 -5.115 1.00 0.00 C ATOM 728 C GLU A 47 -5.120 1.696 -4.595 1.00 0.00 C ATOM 729 O GLU A 47 -5.944 2.609 -4.576 1.00 0.00 O ATOM 730 CB GLU A 47 -5.860 -0.581 -3.969 1.00 0.00 C ATOM 731 CG GLU A 47 -6.498 -1.888 -4.470 1.00 0.00 C ATOM 732 CD GLU A 47 -7.670 -1.605 -5.416 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.561 -0.865 -5.028 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.654 -2.128 -6.519 1.00 0.00 O ATOM 0 H GLU A 47 -3.963 -1.087 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.290 0.410 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.980 -0.812 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.562 -0.059 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.748 -2.488 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.847 -2.475 -3.620 1.00 0.00 H new ATOM 741 N ALA A 48 -3.868 1.819 -4.191 1.00 0.00 N ATOM 742 CA ALA A 48 -3.346 3.068 -3.689 1.00 0.00 C ATOM 743 C ALA A 48 -3.261 4.060 -4.825 1.00 0.00 C ATOM 744 O ALA A 48 -3.671 5.209 -4.686 1.00 0.00 O ATOM 745 CB ALA A 48 -1.959 2.851 -3.106 1.00 0.00 C ATOM 0 H ALA A 48 -3.191 1.057 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.006 3.450 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.571 3.797 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.016 2.131 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.294 2.469 -3.881 1.00 0.00 H new ATOM 751 N LYS A 49 -2.754 3.586 -5.968 1.00 0.00 N ATOM 752 CA LYS A 49 -2.648 4.429 -7.150 1.00 0.00 C ATOM 753 C LYS A 49 -4.048 4.865 -7.522 1.00 0.00 C ATOM 754 O LYS A 49 -4.278 5.993 -7.950 1.00 0.00 O ATOM 755 CB LYS A 49 -2.063 3.646 -8.337 1.00 0.00 C ATOM 756 CG LYS A 49 -0.659 3.077 -8.045 1.00 0.00 C ATOM 757 CD LYS A 49 0.129 3.988 -7.106 1.00 0.00 C ATOM 758 CE LYS A 49 1.562 3.464 -6.950 1.00 0.00 C ATOM 759 NZ LYS A 49 2.387 3.917 -8.105 1.00 0.00 N ATOM 0 H LYS A 49 -2.415 2.632 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.995 5.274 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.736 2.827 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.011 4.300 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.752 2.086 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.112 2.956 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.145 5.004 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.360 4.031 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.993 3.827 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.558 2.375 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.358 3.561 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.979 3.550 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.400 4.956 -8.136 1.00 0.00 H new ATOM 773 N LYS A 50 -4.976 3.929 -7.329 1.00 0.00 N ATOM 774 CA LYS A 50 -6.381 4.165 -7.615 1.00 0.00 C ATOM 775 C LYS A 50 -6.961 5.199 -6.667 1.00 0.00 C ATOM 776 O LYS A 50 -7.687 6.098 -7.094 1.00 0.00 O ATOM 777 CB LYS A 50 -7.166 2.851 -7.516 1.00 0.00 C ATOM 778 CG LYS A 50 -6.852 1.980 -8.734 1.00 0.00 C ATOM 779 CD LYS A 50 -7.567 0.632 -8.604 1.00 0.00 C ATOM 780 CE LYS A 50 -6.892 -0.391 -9.519 1.00 0.00 C ATOM 781 NZ LYS A 50 -6.032 -1.296 -8.703 1.00 0.00 N ATOM 0 H LYS A 50 -4.773 2.995 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.465 4.552 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.900 2.324 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.235 3.056 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.171 2.485 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.776 1.825 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.534 0.289 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.618 0.738 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.645 -0.971 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.291 0.119 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.640 -2.043 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.255 -0.749 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.601 -1.728 -7.947 1.00 0.00 H new ATOM 795 N LEU A 51 -6.625 5.080 -5.384 1.00 0.00 N ATOM 796 CA LEU A 51 -7.122 6.040 -4.400 1.00 0.00 C ATOM 797 C LEU A 51 -6.442 7.384 -4.605 1.00 0.00 C ATOM 798 O LEU A 51 -7.088 8.430 -4.568 1.00 0.00 O ATOM 799 CB LEU A 51 -6.942 5.526 -2.961 1.00 0.00 C ATOM 800 CG LEU A 51 -8.330 5.176 -2.368 1.00 0.00 C ATOM 801 CD1 LEU A 51 -8.192 4.750 -0.901 1.00 0.00 C ATOM 802 CD2 LEU A 51 -9.275 6.392 -2.455 1.00 0.00 C ATOM 0 H LEU A 51 -6.025 4.346 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.194 6.166 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.298 4.647 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.453 6.284 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.747 4.352 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.175 4.507 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.547 3.874 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.755 5.566 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.246 6.129 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.850 7.224 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.398 6.683 -3.498 1.00 0.00 H new ATOM 814 N ASN A 52 -5.140 7.335 -4.862 1.00 0.00 N ATOM 815 CA ASN A 52 -4.368 8.540 -5.131 1.00 0.00 C ATOM 816 C ASN A 52 -4.928 9.233 -6.362 1.00 0.00 C ATOM 817 O ASN A 52 -5.131 10.442 -6.363 1.00 0.00 O ATOM 818 CB ASN A 52 -2.921 8.149 -5.382 1.00 0.00 C ATOM 819 CG ASN A 52 -2.092 9.341 -5.842 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.589 10.098 -5.023 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.913 9.548 -7.116 1.00 0.00 N ATOM 0 H ASN A 52 -4.597 6.472 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.426 9.218 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.491 7.736 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.881 7.364 -6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.354 10.341 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.332 8.917 -7.799 1.00 0.00 H new ATOM 828 N ASP A 53 -5.190 8.434 -7.398 1.00 0.00 N ATOM 829 CA ASP A 53 -5.751 8.947 -8.638 1.00 0.00 C ATOM 830 C ASP A 53 -7.093 9.592 -8.352 1.00 0.00 C ATOM 831 O ASP A 53 -7.417 10.662 -8.870 1.00 0.00 O ATOM 832 CB ASP A 53 -5.920 7.808 -9.653 1.00 0.00 C ATOM 833 CG ASP A 53 -6.571 8.335 -10.932 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.866 8.922 -11.737 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.769 8.153 -11.083 1.00 0.00 O ATOM 0 H ASP A 53 -5.020 7.428 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.074 9.690 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.949 7.370 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.533 7.016 -9.223 1.00 0.00 H new ATOM 840 N ALA A 54 -7.846 8.927 -7.490 1.00 0.00 N ATOM 841 CA ALA A 54 -9.147 9.406 -7.074 1.00 0.00 C ATOM 842 C ALA A 54 -8.989 10.704 -6.290 1.00 0.00 C ATOM 843 O ALA A 54 -9.828 11.602 -6.386 1.00 0.00 O ATOM 844 CB ALA A 54 -9.839 8.352 -6.208 1.00 0.00 C ATOM 0 H ALA A 54 -7.570 8.043 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.759 9.594 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.817 8.720 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.962 7.433 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.232 8.151 -5.325 1.00 0.00 H new ATOM 850 N GLN A 55 -7.892 10.797 -5.525 1.00 0.00 N ATOM 851 CA GLN A 55 -7.617 11.996 -4.740 1.00 0.00 C ATOM 852 C GLN A 55 -6.828 13.014 -5.565 1.00 0.00 C ATOM 853 O GLN A 55 -6.569 14.130 -5.111 1.00 0.00 O ATOM 854 CB GLN A 55 -6.873 11.621 -3.449 1.00 0.00 C ATOM 855 CG GLN A 55 -7.913 11.342 -2.354 1.00 0.00 C ATOM 856 CD GLN A 55 -7.265 11.363 -0.977 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.550 12.242 -0.165 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.406 10.446 -0.669 1.00 0.00 N ATOM 0 H GLN A 55 -7.191 10.062 -5.437 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.563 12.462 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.249 10.742 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.210 12.431 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.705 12.089 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.379 10.372 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.172 9.719 -1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.963 10.450 0.250 1.00 0.00 H new ATOM 867 N ALA A 56 -6.475 12.618 -6.790 1.00 0.00 N ATOM 868 CA ALA A 56 -5.739 13.491 -7.703 1.00 0.00 C ATOM 869 C ALA A 56 -6.707 14.346 -8.503 1.00 0.00 C ATOM 870 O ALA A 56 -7.788 13.884 -8.875 1.00 0.00 O ATOM 871 CB ALA A 56 -4.889 12.661 -8.669 1.00 0.00 C ATOM 0 H ALA A 56 -6.688 11.696 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.087 14.133 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.348 13.327 -9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.177 12.060 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.536 12.005 -9.251 1.00 0.00 H new ATOM 877 N PRO A 57 -6.335 15.576 -8.772 1.00 0.00 N ATOM 878 CA PRO A 57 -7.180 16.518 -9.551 1.00 0.00 C ATOM 879 C PRO A 57 -7.612 15.918 -10.888 1.00 0.00 C ATOM 880 O PRO A 57 -6.915 15.078 -11.460 1.00 0.00 O ATOM 881 CB PRO A 57 -6.293 17.740 -9.791 1.00 0.00 C ATOM 882 CG PRO A 57 -4.960 17.458 -9.186 1.00 0.00 C ATOM 883 CD PRO A 57 -5.074 16.198 -8.343 1.00 0.00 C ATOM 0 HA PRO A 57 -8.097 16.759 -9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.195 17.937 -10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.737 18.629 -9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.210 17.326 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.637 18.298 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.227 15.532 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.090 16.433 -7.279 1.00 0.00 H new ATOM 891 N LYS A 58 -8.767 16.364 -11.367 1.00 0.00 N ATOM 892 CA LYS A 58 -9.317 15.884 -12.637 1.00 0.00 C ATOM 893 C LYS A 58 -10.020 17.022 -13.381 1.00 0.00 C ATOM 894 O LYS A 58 -9.838 17.120 -14.583 1.00 0.00 O ATOM 895 CB LYS A 58 -10.315 14.747 -12.377 1.00 0.00 C ATOM 896 CG LYS A 58 -9.595 13.570 -11.706 1.00 0.00 C ATOM 897 CD LYS A 58 -10.569 12.401 -11.525 1.00 0.00 C ATOM 898 CE LYS A 58 -9.899 11.285 -10.711 1.00 0.00 C ATOM 899 NZ LYS A 58 -8.626 10.872 -11.371 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.730 17.780 -12.737 1.00 0.00 O ATOM 0 H LYS A 58 -9.345 17.060 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.497 15.515 -13.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.126 15.101 -11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.765 14.423 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.746 13.257 -12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.198 13.878 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.471 12.743 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.877 12.019 -12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.698 11.632 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.570 10.430 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.566 9.834 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.604 11.239 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.819 11.255 -10.838 1.00 0.00 H new TER 914 LYS A 58