USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 356 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 9 ASN :FLIP amide:sc= -3.53! C(o=-10!,f=-3.5!) USER MOD Set 1.2: A 12 MET CE :methyl 159:sc=-0.00236 (180deg=-0.612) USER MOD Single : A 1 ARG N :NH3+ -106:sc= -0.486 (180deg=-2.27!) USER MOD Single : A 2 GLN : amide:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -136:sc= -0.0178 (180deg=-0.314) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.27 (180deg=-1.73!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0805 K(o=-0.08,f=-1.5!) USER MOD Single : A 27 GLN : amide:sc= -5.38! C(o=-5.4!,f=-7.4!) USER MOD Single : A 29 MET CE :methyl -168:sc= -0.492 (180deg=-0.607) USER MOD Single : A 30 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.3) USER MOD Single : A 33 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.29) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 21.781 4.755 -9.998 1.00 0.00 N ATOM 2 CA ARG A 1 22.131 3.879 -8.893 1.00 0.00 C ATOM 3 C ARG A 1 22.775 2.594 -9.417 1.00 0.00 C ATOM 4 O ARG A 1 22.831 2.372 -10.626 1.00 0.00 O ATOM 5 CB ARG A 1 20.898 3.520 -8.062 1.00 0.00 C ATOM 6 CG ARG A 1 20.775 4.434 -6.841 1.00 0.00 C ATOM 7 CD ARG A 1 21.648 3.931 -5.689 1.00 0.00 C ATOM 8 NE ARG A 1 21.695 4.942 -4.610 1.00 0.00 N ATOM 9 CZ ARG A 1 20.757 5.068 -3.648 1.00 0.00 C ATOM 10 NH1 ARG A 1 19.688 4.243 -3.622 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.901 6.007 -2.733 1.00 0.00 N ATOM 0 H1 ARG A 1 22.450 5.551 -10.036 1.00 0.00 H new ATOM 0 H2 ARG A 1 21.826 4.223 -10.890 1.00 0.00 H new ATOM 0 H3 ARG A 1 20.817 5.119 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 1 22.839 4.413 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.002 3.607 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.963 2.481 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 1 21.071 5.448 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.734 4.480 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 1 21.249 2.993 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.656 3.724 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 1 22.487 5.585 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 1 19.586 3.519 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 1 18.983 4.344 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 1 21.712 6.625 -2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 1 20.201 6.116 -1.999 1.00 0.00 H new ATOM 24 N GLN A 2 23.245 1.781 -8.483 1.00 0.00 N ATOM 25 CA GLN A 2 23.884 0.525 -8.835 1.00 0.00 C ATOM 26 C GLN A 2 22.828 -0.551 -9.098 1.00 0.00 C ATOM 27 O GLN A 2 22.930 -1.664 -8.585 1.00 0.00 O ATOM 28 CB GLN A 2 24.860 0.080 -7.744 1.00 0.00 C ATOM 29 CG GLN A 2 24.114 -0.544 -6.563 1.00 0.00 C ATOM 30 CD GLN A 2 24.812 -0.221 -5.240 1.00 0.00 C ATOM 31 OE1 GLN A 2 25.902 -0.687 -4.954 1.00 0.00 O ATOM 32 NE2 GLN A 2 24.125 0.603 -4.453 1.00 0.00 N ATOM 0 H GLN A 2 23.196 1.968 -7.481 1.00 0.00 H new ATOM 0 HA GLN A 2 24.458 0.676 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.566 -0.641 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.442 0.935 -7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.090 -0.172 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.058 -1.625 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.217 0.957 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.506 0.881 -3.549 1.00 0.00 H new ATOM 41 N ILE A 3 21.838 -0.180 -9.897 1.00 0.00 N ATOM 42 CA ILE A 3 20.765 -1.099 -10.235 1.00 0.00 C ATOM 43 C ILE A 3 21.146 -1.883 -11.493 1.00 0.00 C ATOM 44 O ILE A 3 20.354 -2.677 -11.999 1.00 0.00 O ATOM 45 CB ILE A 3 19.436 -0.352 -10.355 1.00 0.00 C ATOM 46 CG1 ILE A 3 19.550 1.064 -9.784 1.00 0.00 C ATOM 47 CG2 ILE A 3 18.300 -1.143 -9.704 1.00 0.00 C ATOM 48 CD1 ILE A 3 19.992 2.056 -10.861 1.00 0.00 C ATOM 0 H ILE A 3 21.757 0.745 -10.320 1.00 0.00 H new ATOM 0 HA ILE A 3 20.623 -1.827 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 3 19.194 -0.255 -11.413 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.589 1.373 -9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.266 1.072 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.367 -0.589 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.202 -2.111 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.521 -1.294 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.065 3.054 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.965 1.758 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.262 2.064 -11.670 1.00 0.00 H new ATOM 60 N LYS A 4 22.359 -1.630 -11.964 1.00 0.00 N ATOM 61 CA LYS A 4 22.855 -2.301 -13.153 1.00 0.00 C ATOM 62 C LYS A 4 23.677 -3.523 -12.739 1.00 0.00 C ATOM 63 O LYS A 4 24.342 -4.139 -13.571 1.00 0.00 O ATOM 64 CB LYS A 4 23.618 -1.318 -14.043 1.00 0.00 C ATOM 65 CG LYS A 4 23.310 -1.564 -15.522 1.00 0.00 C ATOM 66 CD LYS A 4 23.636 -0.330 -16.363 1.00 0.00 C ATOM 67 CE LYS A 4 22.456 0.643 -16.390 1.00 0.00 C ATOM 68 NZ LYS A 4 22.714 1.795 -15.496 1.00 0.00 N ATOM 0 H LYS A 4 23.012 -0.969 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 4 22.026 -2.666 -13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 23.348 -0.296 -13.777 1.00 0.00 H new ATOM 0 HB3 LYS A 4 24.689 -1.420 -13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 4 23.888 -2.416 -15.881 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.257 -1.821 -15.640 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.515 0.170 -15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.885 -0.634 -17.380 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.290 0.995 -17.408 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.546 0.130 -16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.859 2.003 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.497 1.566 -14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.968 2.627 -16.066 1.00 0.00 H new ATOM 81 N ILE A 5 23.607 -3.836 -11.454 1.00 0.00 N ATOM 82 CA ILE A 5 24.338 -4.973 -10.919 1.00 0.00 C ATOM 83 C ILE A 5 23.611 -6.264 -11.298 1.00 0.00 C ATOM 84 O ILE A 5 24.051 -7.357 -10.942 1.00 0.00 O ATOM 85 CB ILE A 5 24.556 -4.809 -9.413 1.00 0.00 C ATOM 86 CG1 ILE A 5 25.341 -3.531 -9.109 1.00 0.00 C ATOM 87 CG2 ILE A 5 25.226 -6.049 -8.818 1.00 0.00 C ATOM 88 CD1 ILE A 5 25.738 -3.471 -7.632 1.00 0.00 C ATOM 0 H ILE A 5 23.055 -3.322 -10.767 1.00 0.00 H new ATOM 0 HA ILE A 5 25.334 -5.027 -11.358 1.00 0.00 H new ATOM 0 HB ILE A 5 23.581 -4.709 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 5 26.235 -3.492 -9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 5 24.737 -2.660 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.369 -5.906 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.593 -6.921 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.193 -6.205 -9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 5 26.295 -2.553 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 5 24.841 -3.486 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.362 -4.331 -7.388 1.00 0.00 H new ATOM 100 N TRP A 6 22.509 -6.097 -12.015 1.00 0.00 N ATOM 101 CA TRP A 6 21.717 -7.236 -12.447 1.00 0.00 C ATOM 102 C TRP A 6 21.210 -7.960 -11.198 1.00 0.00 C ATOM 103 O TRP A 6 20.063 -7.776 -10.792 1.00 0.00 O ATOM 104 CB TRP A 6 22.524 -8.144 -13.377 1.00 0.00 C ATOM 105 CG TRP A 6 23.810 -7.507 -13.908 1.00 0.00 C ATOM 106 CD1 TRP A 6 25.044 -7.589 -13.395 1.00 0.00 C ATOM 107 CD2 TRP A 6 23.937 -6.681 -15.085 1.00 0.00 C ATOM 108 NE1 TRP A 6 25.956 -6.880 -14.151 1.00 0.00 N ATOM 109 CE2 TRP A 6 25.261 -6.310 -15.211 1.00 0.00 C ATOM 110 CE3 TRP A 6 22.966 -6.260 -16.011 1.00 0.00 C ATOM 111 CZ2 TRP A 6 25.734 -5.501 -16.252 1.00 0.00 C ATOM 112 CZ3 TRP A 6 23.456 -5.453 -17.045 1.00 0.00 C ATOM 113 CH2 TRP A 6 24.785 -5.071 -17.187 1.00 0.00 C ATOM 0 H TRP A 6 22.146 -5.190 -12.308 1.00 0.00 H new ATOM 0 HA TRP A 6 20.858 -6.908 -13.033 1.00 0.00 H new ATOM 0 HB2 TRP A 6 22.778 -9.060 -12.843 1.00 0.00 H new ATOM 0 HB3 TRP A 6 21.897 -8.431 -14.221 1.00 0.00 H new ATOM 0 HD1 TRP A 6 25.295 -8.141 -12.501 1.00 0.00 H new ATOM 0 HE1 TRP A 6 26.955 -6.791 -13.966 1.00 0.00 H new ATOM 0 HE3 TRP A 6 21.925 -6.537 -15.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 26.775 -5.224 -16.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 22.751 -5.102 -17.785 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.084 -4.445 -18.015 1.00 0.00 H new ATOM 124 N PHE A 7 22.089 -8.767 -10.622 1.00 0.00 N ATOM 125 CA PHE A 7 21.744 -9.518 -9.427 1.00 0.00 C ATOM 126 C PHE A 7 21.264 -8.586 -8.313 1.00 0.00 C ATOM 127 O PHE A 7 20.651 -9.034 -7.346 1.00 0.00 O ATOM 128 CB PHE A 7 23.016 -10.233 -8.967 1.00 0.00 C ATOM 129 CG PHE A 7 23.489 -11.336 -9.916 1.00 0.00 C ATOM 130 CD1 PHE A 7 22.737 -12.456 -10.085 1.00 0.00 C ATOM 131 CD2 PHE A 7 24.662 -11.196 -10.590 1.00 0.00 C ATOM 132 CE1 PHE A 7 23.176 -13.480 -10.967 1.00 0.00 C ATOM 133 CE2 PHE A 7 25.101 -12.219 -11.471 1.00 0.00 C ATOM 134 CZ PHE A 7 24.349 -13.340 -11.640 1.00 0.00 C ATOM 0 H PHE A 7 23.039 -8.917 -10.961 1.00 0.00 H new ATOM 0 HA PHE A 7 20.940 -10.220 -9.647 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.813 -9.498 -8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 7 22.841 -10.666 -7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 7 21.806 -12.567 -9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 7 25.260 -10.307 -10.455 1.00 0.00 H new ATOM 0 HE1 PHE A 7 22.578 -14.369 -11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 7 26.032 -12.107 -12.007 1.00 0.00 H new ATOM 0 HZ PHE A 7 24.684 -14.119 -12.309 1.00 0.00 H new ATOM 144 N GLN A 8 21.561 -7.307 -8.486 1.00 0.00 N ATOM 145 CA GLN A 8 21.169 -6.309 -7.506 1.00 0.00 C ATOM 146 C GLN A 8 20.078 -5.402 -8.082 1.00 0.00 C ATOM 147 O GLN A 8 19.931 -4.257 -7.656 1.00 0.00 O ATOM 148 CB GLN A 8 22.374 -5.490 -7.043 1.00 0.00 C ATOM 149 CG GLN A 8 22.435 -5.418 -5.516 1.00 0.00 C ATOM 150 CD GLN A 8 23.623 -6.217 -4.976 1.00 0.00 C ATOM 151 OE1 GLN A 8 24.574 -5.675 -4.437 1.00 0.00 O ATOM 152 NE2 GLN A 8 23.517 -7.531 -5.151 1.00 0.00 N ATOM 0 H GLN A 8 22.069 -6.939 -9.290 1.00 0.00 H new ATOM 0 HA GLN A 8 20.766 -6.823 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 8 23.291 -5.937 -7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.314 -4.483 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.518 -4.378 -5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.509 -5.806 -5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.693 -7.920 -5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.259 -8.150 -4.826 1.00 0.00 H new ATOM 161 N ASN A 9 19.344 -5.947 -9.040 1.00 0.00 N ATOM 162 CA ASN A 9 18.273 -5.202 -9.678 1.00 0.00 C ATOM 163 C ASN A 9 16.928 -5.677 -9.125 1.00 0.00 C ATOM 164 O ASN A 9 16.468 -6.770 -9.455 1.00 0.00 O ATOM 165 CB ASN A 9 18.269 -5.428 -11.191 1.00 0.00 C ATOM 166 CG ASN A 9 17.770 -4.184 -11.930 1.00 0.00 C ATOM 167 OD1 ASN A 9 17.009 -3.384 -11.189 1.00 0.00 O flip ATOM 168 ND2 ASN A 9 18.058 -3.967 -13.095 1.00 0.00 N flip ATOM 0 H ASN A 9 19.470 -6.897 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 9 18.430 -4.143 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.275 -5.676 -11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.633 -6.279 -11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.648 -4.624 -13.606 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.709 -3.128 -13.559 1.00 0.00 H new ATOM 175 N ARG A 10 16.333 -4.834 -8.295 1.00 0.00 N ATOM 176 CA ARG A 10 15.049 -5.154 -7.694 1.00 0.00 C ATOM 177 C ARG A 10 14.489 -3.935 -6.959 1.00 0.00 C ATOM 178 O ARG A 10 13.286 -3.680 -7.000 1.00 0.00 O ATOM 179 CB ARG A 10 15.177 -6.320 -6.712 1.00 0.00 C ATOM 180 CG ARG A 10 16.361 -6.112 -5.765 1.00 0.00 C ATOM 181 CD ARG A 10 17.690 -6.301 -6.499 1.00 0.00 C ATOM 182 NE ARG A 10 18.743 -6.705 -5.541 1.00 0.00 N ATOM 183 CZ ARG A 10 18.722 -7.853 -4.833 1.00 0.00 C ATOM 184 NH1 ARG A 10 17.699 -8.723 -4.968 1.00 0.00 N ATOM 185 NH2 ARG A 10 19.718 -8.114 -4.005 1.00 0.00 N ATOM 0 H ARG A 10 16.716 -3.929 -8.024 1.00 0.00 H new ATOM 0 HA ARG A 10 14.369 -5.442 -8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.258 -6.416 -6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.307 -7.252 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.317 -5.111 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.296 -6.816 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.582 -7.059 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.975 -5.374 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 10 19.535 -6.076 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.934 -8.515 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.691 -9.589 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.488 -7.452 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.717 -8.978 -3.462 1.00 0.00 H new ATOM 198 N ARG A 11 15.386 -3.215 -6.302 1.00 0.00 N ATOM 199 CA ARG A 11 14.996 -2.030 -5.559 1.00 0.00 C ATOM 200 C ARG A 11 14.142 -1.111 -6.435 1.00 0.00 C ATOM 201 O ARG A 11 13.394 -0.279 -5.924 1.00 0.00 O ATOM 202 CB ARG A 11 16.223 -1.258 -5.068 1.00 0.00 C ATOM 203 CG ARG A 11 16.104 -0.929 -3.578 1.00 0.00 C ATOM 204 CD ARG A 11 16.246 -2.192 -2.726 1.00 0.00 C ATOM 205 NE ARG A 11 17.032 -1.893 -1.508 1.00 0.00 N ATOM 206 CZ ARG A 11 17.421 -2.825 -0.611 1.00 0.00 C ATOM 207 NH1 ARG A 11 17.096 -4.123 -0.787 1.00 0.00 N ATOM 208 NH2 ARG A 11 18.120 -2.447 0.442 1.00 0.00 N ATOM 0 H ARG A 11 16.383 -3.430 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 11 14.417 -2.357 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.122 -1.848 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.330 -0.336 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.873 -0.209 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.140 -0.459 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.261 -2.568 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.736 -2.977 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 11 17.296 -0.923 -1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.553 -4.407 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.394 -4.820 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.359 -1.464 0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.422 -3.138 1.129 1.00 0.00 H new ATOM 221 N MET A 12 14.283 -1.291 -7.740 1.00 0.00 N ATOM 222 CA MET A 12 13.533 -0.489 -8.692 1.00 0.00 C ATOM 223 C MET A 12 12.089 -0.979 -8.804 1.00 0.00 C ATOM 224 O MET A 12 11.318 -0.469 -9.617 1.00 0.00 O ATOM 225 CB MET A 12 14.207 -0.563 -10.064 1.00 0.00 C ATOM 226 CG MET A 12 14.121 -1.979 -10.641 1.00 0.00 C ATOM 227 SD MET A 12 13.889 -1.905 -12.409 1.00 0.00 S ATOM 228 CE MET A 12 15.277 -0.877 -12.861 1.00 0.00 C ATOM 0 H MET A 12 14.906 -1.981 -8.161 1.00 0.00 H new ATOM 0 HA MET A 12 13.519 0.542 -8.340 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.730 0.141 -10.746 1.00 0.00 H new ATOM 0 HB3 MET A 12 15.252 -0.265 -9.977 1.00 0.00 H new ATOM 0 HG2 MET A 12 15.031 -2.531 -10.408 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.294 -2.519 -10.180 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.511 -1.025 -13.915 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.026 0.170 -12.688 1.00 0.00 H new ATOM 0 HE3 MET A 12 16.142 -1.147 -12.256 1.00 0.00 H new ATOM 238 N LYS A 13 11.765 -1.963 -7.978 1.00 0.00 N ATOM 239 CA LYS A 13 10.425 -2.526 -7.974 1.00 0.00 C ATOM 240 C LYS A 13 9.912 -2.599 -6.535 1.00 0.00 C ATOM 241 O LYS A 13 9.050 -3.420 -6.221 1.00 0.00 O ATOM 242 CB LYS A 13 10.410 -3.872 -8.702 1.00 0.00 C ATOM 243 CG LYS A 13 10.604 -5.029 -7.720 1.00 0.00 C ATOM 244 CD LYS A 13 11.311 -6.208 -8.395 1.00 0.00 C ATOM 245 CE LYS A 13 10.313 -7.081 -9.158 1.00 0.00 C ATOM 246 NZ LYS A 13 9.857 -6.394 -10.387 1.00 0.00 N ATOM 0 H LYS A 13 12.407 -2.385 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 13 9.738 -1.883 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.464 -3.993 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.199 -3.892 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.189 -4.691 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.636 -5.352 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.073 -5.836 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.824 -6.808 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.777 -8.033 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.457 -7.307 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.674 -7.098 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.983 -5.867 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.593 -5.733 -10.709 1.00 0.00 H new ATOM 259 N TRP A 14 10.462 -1.732 -5.699 1.00 0.00 N ATOM 260 CA TRP A 14 10.070 -1.688 -4.301 1.00 0.00 C ATOM 261 C TRP A 14 8.847 -0.777 -4.181 1.00 0.00 C ATOM 262 O TRP A 14 8.826 0.138 -3.359 1.00 0.00 O ATOM 263 CB TRP A 14 11.236 -1.240 -3.418 1.00 0.00 C ATOM 264 CG TRP A 14 11.420 0.277 -3.351 1.00 0.00 C ATOM 265 CD1 TRP A 14 12.028 0.993 -2.395 1.00 0.00 C ATOM 266 CD2 TRP A 14 10.965 1.243 -4.322 1.00 0.00 C ATOM 267 NE1 TRP A 14 11.998 2.344 -2.678 1.00 0.00 N ATOM 268 CE2 TRP A 14 11.331 2.500 -3.888 1.00 0.00 C ATOM 269 CE3 TRP A 14 10.267 1.059 -5.530 1.00 0.00 C ATOM 270 CZ2 TRP A 14 11.042 3.671 -4.599 1.00 0.00 C ATOM 271 CZ3 TRP A 14 9.986 2.239 -6.229 1.00 0.00 C ATOM 272 CH2 TRP A 14 10.348 3.512 -5.805 1.00 0.00 C ATOM 0 H TRP A 14 11.177 -1.054 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 14 9.800 -2.683 -3.946 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.081 -1.622 -2.409 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.155 -1.691 -3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.484 0.567 -1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 14 12.392 3.090 -2.105 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.971 0.084 -5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 11.338 4.644 -4.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.450 2.154 -7.163 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.095 4.375 -6.403 1.00 0.00 H new ATOM 283 N LYS A 15 7.855 -1.058 -5.014 1.00 0.00 N ATOM 284 CA LYS A 15 6.630 -0.275 -5.012 1.00 0.00 C ATOM 285 C LYS A 15 5.596 -0.951 -5.915 1.00 0.00 C ATOM 286 O LYS A 15 4.883 -0.281 -6.658 1.00 0.00 O ATOM 287 CB LYS A 15 6.923 1.178 -5.393 1.00 0.00 C ATOM 288 CG LYS A 15 6.925 2.079 -4.157 1.00 0.00 C ATOM 289 CD LYS A 15 6.457 3.493 -4.509 1.00 0.00 C ATOM 290 CE LYS A 15 6.358 4.365 -3.256 1.00 0.00 C ATOM 291 NZ LYS A 15 7.684 4.922 -2.906 1.00 0.00 N ATOM 0 H LYS A 15 7.875 -1.817 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 15 6.203 -0.238 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.890 1.239 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.174 1.530 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.273 1.656 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.928 2.119 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.152 3.944 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.486 3.446 -5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.650 5.176 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.974 3.774 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.599 5.511 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.350 4.144 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.036 5.502 -3.694 1.00 0.00 H new ATOM 304 N LYS A 16 5.549 -2.272 -5.819 1.00 0.00 N ATOM 305 CA LYS A 16 4.615 -3.047 -6.618 1.00 0.00 C ATOM 306 C LYS A 16 3.322 -3.253 -5.824 1.00 0.00 C ATOM 307 O LYS A 16 2.234 -3.281 -6.399 1.00 0.00 O ATOM 308 CB LYS A 16 5.262 -4.351 -7.087 1.00 0.00 C ATOM 309 CG LYS A 16 5.720 -5.195 -5.895 1.00 0.00 C ATOM 310 CD LYS A 16 5.513 -6.686 -6.168 1.00 0.00 C ATOM 311 CE LYS A 16 6.791 -7.327 -6.711 1.00 0.00 C ATOM 312 NZ LYS A 16 6.533 -7.972 -8.018 1.00 0.00 N ATOM 0 H LYS A 16 6.142 -2.825 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 16 4.351 -2.506 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.551 -4.919 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.115 -4.128 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.773 -5.002 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.164 -4.904 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.212 -7.189 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.703 -6.819 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.567 -6.569 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.164 -8.066 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.411 -8.402 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.808 -8.709 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.198 -7.259 -8.697 1.00 0.00 H new ATOM 325 N ARG A 17 3.484 -3.393 -4.517 1.00 0.00 N ATOM 326 CA ARG A 17 2.344 -3.595 -3.639 1.00 0.00 C ATOM 327 C ARG A 17 1.920 -2.269 -3.005 1.00 0.00 C ATOM 328 O ARG A 17 0.762 -1.868 -3.111 1.00 0.00 O ATOM 329 CB ARG A 17 2.671 -4.601 -2.533 1.00 0.00 C ATOM 330 CG ARG A 17 2.964 -5.984 -3.118 1.00 0.00 C ATOM 331 CD ARG A 17 2.439 -7.090 -2.201 1.00 0.00 C ATOM 332 NE ARG A 17 3.519 -8.058 -1.906 1.00 0.00 N ATOM 333 CZ ARG A 17 3.936 -9.011 -2.767 1.00 0.00 C ATOM 334 NH1 ARG A 17 3.367 -9.132 -3.984 1.00 0.00 N ATOM 335 NH2 ARG A 17 4.910 -9.822 -2.399 1.00 0.00 N ATOM 0 H ARG A 17 4.388 -3.371 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 17 1.527 -3.990 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.533 -4.253 -1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.835 -4.666 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.502 -6.072 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.038 -6.103 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.064 -6.657 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.601 -7.601 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 17 3.977 -8.002 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.615 -8.501 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.689 -9.855 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.335 -9.723 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.238 -10.548 -3.037 1.00 0.00 H new ATOM 348 N VAL A 18 2.880 -1.626 -2.358 1.00 0.00 N ATOM 349 CA VAL A 18 2.622 -0.353 -1.706 1.00 0.00 C ATOM 350 C VAL A 18 1.192 -0.347 -1.160 1.00 0.00 C ATOM 351 O VAL A 18 0.283 0.181 -1.798 1.00 0.00 O ATOM 352 CB VAL A 18 2.897 0.797 -2.676 1.00 0.00 C ATOM 353 CG1 VAL A 18 2.299 0.507 -4.054 1.00 0.00 C ATOM 354 CG2 VAL A 18 2.373 2.122 -2.118 1.00 0.00 C ATOM 0 H VAL A 18 3.839 -1.963 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 18 3.294 -0.213 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 18 3.977 0.886 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.509 1.340 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.741 -0.404 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.221 0.378 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.581 2.923 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.297 2.049 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.867 2.338 -1.171 1.00 0.00 H new ATOM 364 N PHE A 19 1.038 -0.939 0.015 1.00 0.00 N ATOM 365 CA PHE A 19 -0.265 -1.008 0.654 1.00 0.00 C ATOM 366 C PHE A 19 -1.384 -1.058 -0.388 1.00 0.00 C ATOM 367 O PHE A 19 -2.494 -0.591 -0.136 1.00 0.00 O ATOM 368 CB PHE A 19 -0.420 0.264 1.490 1.00 0.00 C ATOM 369 CG PHE A 19 0.744 0.524 2.448 1.00 0.00 C ATOM 370 CD1 PHE A 19 0.967 -0.316 3.493 1.00 0.00 C ATOM 371 CD2 PHE A 19 1.557 1.597 2.254 1.00 0.00 C ATOM 372 CE1 PHE A 19 2.049 -0.075 4.382 1.00 0.00 C ATOM 373 CE2 PHE A 19 2.638 1.840 3.142 1.00 0.00 C ATOM 374 CZ PHE A 19 2.861 0.998 4.188 1.00 0.00 C ATOM 0 H PHE A 19 1.795 -1.376 0.542 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.333 -1.908 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.523 1.117 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.343 0.198 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.321 -1.168 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.380 2.265 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.226 -0.744 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.283 2.692 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.683 1.182 4.864 1.00 0.00 H new ATOM 384 N ASN A 20 -1.053 -1.629 -1.537 1.00 0.00 N ATOM 385 CA ASN A 20 -2.017 -1.746 -2.618 1.00 0.00 C ATOM 386 C ASN A 20 -2.427 -3.212 -2.774 1.00 0.00 C ATOM 387 O ASN A 20 -3.611 -3.539 -2.716 1.00 0.00 O ATOM 388 CB ASN A 20 -1.416 -1.280 -3.946 1.00 0.00 C ATOM 389 CG ASN A 20 -2.500 -0.738 -4.879 1.00 0.00 C ATOM 390 OD1 ASN A 20 -3.684 -0.782 -4.589 1.00 0.00 O ATOM 391 ND2 ASN A 20 -2.031 -0.225 -6.013 1.00 0.00 N ATOM 0 H ASN A 20 -0.132 -2.015 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.876 -1.122 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.671 -0.506 -3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.900 -2.111 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.675 0.163 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.027 -0.219 -6.193 1.00 0.00 H new ATOM 398 N ASP A 21 -1.424 -4.056 -2.968 1.00 0.00 N ATOM 399 CA ASP A 21 -1.665 -5.480 -3.132 1.00 0.00 C ATOM 400 C ASP A 21 -2.372 -6.020 -1.887 1.00 0.00 C ATOM 401 O ASP A 21 -3.373 -6.727 -1.995 1.00 0.00 O ATOM 402 CB ASP A 21 -0.350 -6.245 -3.299 1.00 0.00 C ATOM 403 CG ASP A 21 0.187 -6.303 -4.729 1.00 0.00 C ATOM 404 OD1 ASP A 21 0.792 -7.302 -5.145 1.00 0.00 O ATOM 405 OD2 ASP A 21 -0.038 -5.250 -5.439 1.00 0.00 O ATOM 0 H ASP A 21 -0.443 -3.781 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.278 -5.618 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.405 -5.784 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.492 -7.264 -2.939 1.00 0.00 H new ATOM 411 N ALA A 22 -1.825 -5.665 -0.734 1.00 0.00 N ATOM 412 CA ALA A 22 -2.390 -6.105 0.530 1.00 0.00 C ATOM 413 C ALA A 22 -3.836 -5.614 0.634 1.00 0.00 C ATOM 414 O ALA A 22 -4.610 -6.123 1.444 1.00 0.00 O ATOM 415 CB ALA A 22 -1.519 -5.602 1.682 1.00 0.00 C ATOM 0 H ALA A 22 -0.996 -5.077 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.406 -7.193 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.943 -5.932 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.510 -6.002 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.482 -4.513 1.661 1.00 0.00 H new ATOM 421 N ARG A 23 -4.156 -4.632 -0.195 1.00 0.00 N ATOM 422 CA ARG A 23 -5.493 -4.067 -0.206 1.00 0.00 C ATOM 423 C ARG A 23 -6.358 -4.768 -1.256 1.00 0.00 C ATOM 424 O ARG A 23 -6.919 -4.119 -2.137 1.00 0.00 O ATOM 425 CB ARG A 23 -5.456 -2.567 -0.505 1.00 0.00 C ATOM 426 CG ARG A 23 -6.552 -1.827 0.265 1.00 0.00 C ATOM 427 CD ARG A 23 -6.202 -1.723 1.752 1.00 0.00 C ATOM 428 NE ARG A 23 -7.341 -1.145 2.499 1.00 0.00 N ATOM 429 CZ ARG A 23 -7.549 -1.329 3.820 1.00 0.00 C ATOM 430 NH1 ARG A 23 -6.697 -2.078 4.551 1.00 0.00 N ATOM 431 NH2 ARG A 23 -8.601 -0.765 4.387 1.00 0.00 N ATOM 0 H ARG A 23 -3.511 -4.213 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.924 -4.218 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.480 -2.163 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.584 -2.403 -1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.684 -0.829 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.501 -2.350 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.960 -2.710 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.317 -1.101 1.883 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.010 -0.572 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.888 -2.511 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.862 -2.211 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.241 -0.201 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.773 -0.894 5.384 1.00 0.00 H new ATOM 444 N ASP A 24 -6.437 -6.085 -1.128 1.00 0.00 N ATOM 445 CA ASP A 24 -7.223 -6.880 -2.055 1.00 0.00 C ATOM 446 C ASP A 24 -7.919 -8.008 -1.289 1.00 0.00 C ATOM 447 O ASP A 24 -9.124 -7.950 -1.050 1.00 0.00 O ATOM 448 CB ASP A 24 -6.335 -7.515 -3.126 1.00 0.00 C ATOM 449 CG ASP A 24 -6.285 -6.760 -4.456 1.00 0.00 C ATOM 450 OD1 ASP A 24 -7.193 -6.879 -5.292 1.00 0.00 O ATOM 451 OD2 ASP A 24 -5.246 -6.012 -4.620 1.00 0.00 O ATOM 0 H ASP A 24 -5.970 -6.620 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.949 -6.222 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.321 -7.597 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.687 -8.529 -3.314 1.00 0.00 H new ATOM 457 N ILE A 25 -7.130 -9.009 -0.926 1.00 0.00 N ATOM 458 CA ILE A 25 -7.655 -10.148 -0.194 1.00 0.00 C ATOM 459 C ILE A 25 -6.611 -10.621 0.820 1.00 0.00 C ATOM 460 O ILE A 25 -6.906 -10.745 2.009 1.00 0.00 O ATOM 461 CB ILE A 25 -8.114 -11.242 -1.159 1.00 0.00 C ATOM 462 CG1 ILE A 25 -8.879 -10.644 -2.342 1.00 0.00 C ATOM 463 CG2 ILE A 25 -8.930 -12.311 -0.430 1.00 0.00 C ATOM 464 CD1 ILE A 25 -10.244 -10.113 -1.899 1.00 0.00 C ATOM 0 H ILE A 25 -6.131 -9.054 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.543 -9.861 0.370 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.229 -11.734 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.297 -9.836 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.012 -11.402 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.244 -13.076 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.319 -12.767 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.810 -11.852 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.767 -9.693 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.832 -10.928 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.106 -9.338 -1.145 1.00 0.00 H new ATOM 476 N ILE A 26 -5.413 -10.874 0.315 1.00 0.00 N ATOM 477 CA ILE A 26 -4.325 -11.331 1.161 1.00 0.00 C ATOM 478 C ILE A 26 -2.989 -10.936 0.525 1.00 0.00 C ATOM 479 O ILE A 26 -2.014 -11.680 0.611 1.00 0.00 O ATOM 480 CB ILE A 26 -4.455 -12.830 1.439 1.00 0.00 C ATOM 481 CG1 ILE A 26 -5.645 -13.117 2.355 1.00 0.00 C ATOM 482 CG2 ILE A 26 -3.150 -13.399 2.000 1.00 0.00 C ATOM 483 CD1 ILE A 26 -6.923 -13.336 1.543 1.00 0.00 C ATOM 0 H ILE A 26 -5.172 -10.771 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.370 -10.845 2.136 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.647 -13.337 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.438 -14.000 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.786 -12.285 3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.270 -14.466 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.347 -13.246 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.903 -12.891 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.754 -13.538 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.140 -12.442 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.787 -14.184 0.872 1.00 0.00 H new ATOM 495 N GLN A 27 -2.990 -9.767 -0.097 1.00 0.00 N ATOM 496 CA GLN A 27 -1.791 -9.264 -0.747 1.00 0.00 C ATOM 497 C GLN A 27 -1.419 -10.154 -1.934 1.00 0.00 C ATOM 498 O GLN A 27 -0.411 -9.920 -2.598 1.00 0.00 O ATOM 499 CB GLN A 27 -0.631 -9.162 0.246 1.00 0.00 C ATOM 500 CG GLN A 27 0.633 -8.644 -0.440 1.00 0.00 C ATOM 501 CD GLN A 27 1.663 -8.173 0.590 1.00 0.00 C ATOM 502 OE1 GLN A 27 1.428 -7.264 1.367 1.00 0.00 O ATOM 503 NE2 GLN A 27 2.813 -8.841 0.551 1.00 0.00 N ATOM 0 H GLN A 27 -3.802 -9.153 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.996 -8.261 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.905 -8.495 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.436 -10.141 0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.065 -9.432 -1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.378 -7.820 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.944 -9.593 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.564 -8.602 1.198 1.00 0.00 H new ATOM 512 N ARG A 28 -2.253 -11.158 -2.166 1.00 0.00 N ATOM 513 CA ARG A 28 -2.023 -12.084 -3.261 1.00 0.00 C ATOM 514 C ARG A 28 -3.328 -12.344 -4.017 1.00 0.00 C ATOM 515 O ARG A 28 -3.315 -12.557 -5.228 1.00 0.00 O ATOM 516 CB ARG A 28 -1.463 -13.413 -2.751 1.00 0.00 C ATOM 517 CG ARG A 28 -0.222 -13.190 -1.884 1.00 0.00 C ATOM 518 CD ARG A 28 0.857 -14.228 -2.193 1.00 0.00 C ATOM 519 NE ARG A 28 1.447 -14.735 -0.934 1.00 0.00 N ATOM 520 CZ ARG A 28 2.651 -15.340 -0.852 1.00 0.00 C ATOM 521 NH1 ARG A 28 3.405 -15.519 -1.958 1.00 0.00 N ATOM 522 NH2 ARG A 28 3.080 -15.754 0.326 1.00 0.00 N ATOM 0 H ARG A 28 -3.089 -11.350 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.294 -11.630 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.226 -13.935 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.210 -14.053 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.172 -12.189 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.495 -13.247 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.427 -15.053 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.634 -13.783 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 28 0.910 -14.620 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.066 -15.196 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.314 -15.977 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.504 -15.615 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.987 -16.213 0.406 1.00 0.00 H new ATOM 535 N MET A 29 -4.422 -12.319 -3.271 1.00 0.00 N ATOM 536 CA MET A 29 -5.732 -12.550 -3.856 1.00 0.00 C ATOM 537 C MET A 29 -5.669 -13.637 -4.931 1.00 0.00 C ATOM 538 O MET A 29 -6.457 -13.627 -5.876 1.00 0.00 O ATOM 539 CB MET A 29 -6.252 -11.250 -4.474 1.00 0.00 C ATOM 540 CG MET A 29 -5.200 -10.619 -5.389 1.00 0.00 C ATOM 541 SD MET A 29 -5.879 -9.181 -6.200 1.00 0.00 S ATOM 542 CE MET A 29 -4.380 -8.264 -6.510 1.00 0.00 C ATOM 0 H MET A 29 -4.429 -12.142 -2.266 1.00 0.00 H new ATOM 0 HA MET A 29 -6.407 -12.884 -3.068 1.00 0.00 H new ATOM 0 HB2 MET A 29 -7.160 -11.451 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.519 -10.549 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.322 -10.338 -4.807 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.871 -11.345 -6.133 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.631 -7.249 -6.817 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.780 -8.230 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.812 -8.752 -7.302 1.00 0.00 H new ATOM 552 N HIS A 30 -4.724 -14.548 -4.751 1.00 0.00 N ATOM 553 CA HIS A 30 -4.548 -15.639 -5.693 1.00 0.00 C ATOM 554 C HIS A 30 -4.092 -15.084 -7.044 1.00 0.00 C ATOM 555 O HIS A 30 -4.769 -15.264 -8.054 1.00 0.00 O ATOM 556 CB HIS A 30 -5.823 -16.478 -5.798 1.00 0.00 C ATOM 557 CG HIS A 30 -5.598 -17.874 -6.328 1.00 0.00 C ATOM 558 ND1 HIS A 30 -4.614 -18.714 -5.836 1.00 0.00 N ATOM 559 CD2 HIS A 30 -6.241 -18.570 -7.309 1.00 0.00 C ATOM 560 CE1 HIS A 30 -4.669 -19.859 -6.499 1.00 0.00 C ATOM 561 NE2 HIS A 30 -5.678 -19.767 -7.413 1.00 0.00 N ATOM 0 H HIS A 30 -4.072 -14.553 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.768 -16.311 -5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.284 -16.545 -4.813 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.532 -15.964 -6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.069 -18.208 -7.901 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.028 -20.715 -6.344 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.954 -20.498 -8.068 1.00 0.00 H new ATOM 569 N LEU A 31 -2.947 -14.417 -7.017 1.00 0.00 N ATOM 570 CA LEU A 31 -2.393 -13.833 -8.226 1.00 0.00 C ATOM 571 C LEU A 31 -1.687 -14.922 -9.036 1.00 0.00 C ATOM 572 O LEU A 31 -1.853 -16.110 -8.764 1.00 0.00 O ATOM 573 CB LEU A 31 -1.495 -12.642 -7.883 1.00 0.00 C ATOM 574 CG LEU A 31 -2.091 -11.257 -8.140 1.00 0.00 C ATOM 575 CD1 LEU A 31 -1.181 -10.157 -7.589 1.00 0.00 C ATOM 576 CD2 LEU A 31 -2.396 -11.057 -9.626 1.00 0.00 C ATOM 0 H LEU A 31 -2.388 -14.268 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.188 -13.433 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.223 -12.709 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.572 -12.731 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.038 -11.189 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.628 -9.183 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.059 -10.290 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.207 -10.213 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.819 -10.064 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.476 -11.153 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.111 -11.811 -9.955 1.00 0.00 H new ATOM 588 N ARG A 32 -0.913 -14.478 -10.016 1.00 0.00 N ATOM 589 CA ARG A 32 -0.181 -15.400 -10.868 1.00 0.00 C ATOM 590 C ARG A 32 1.276 -15.503 -10.410 1.00 0.00 C ATOM 591 O ARG A 32 1.723 -16.567 -9.984 1.00 0.00 O ATOM 592 CB ARG A 32 -0.218 -14.948 -12.329 1.00 0.00 C ATOM 593 CG ARG A 32 -1.439 -15.524 -13.049 1.00 0.00 C ATOM 594 CD ARG A 32 -1.274 -17.026 -13.295 1.00 0.00 C ATOM 595 NE ARG A 32 -0.388 -17.253 -14.458 1.00 0.00 N ATOM 596 CZ ARG A 32 -0.739 -17.002 -15.737 1.00 0.00 C ATOM 597 NH1 ARG A 32 -1.961 -16.509 -16.028 1.00 0.00 N ATOM 598 NH2 ARG A 32 0.133 -17.242 -16.699 1.00 0.00 N ATOM 0 H ARG A 32 -0.777 -13.492 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.660 -16.376 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.243 -13.859 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.692 -15.268 -12.836 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.334 -15.346 -12.453 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.581 -15.010 -14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.855 -17.504 -12.409 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.247 -17.483 -13.474 1.00 0.00 H new ATOM 0 HE ARG A 32 0.546 -17.622 -14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.628 -16.323 -15.279 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.218 -16.322 -16.997 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.056 -17.612 -16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.116 -17.058 -17.671 1.00 0.00 H new ATOM 611 N GLN A 33 1.975 -14.382 -10.513 1.00 0.00 N ATOM 612 CA GLN A 33 3.372 -14.333 -10.115 1.00 0.00 C ATOM 613 C GLN A 33 4.094 -15.609 -10.552 1.00 0.00 C ATOM 614 O GLN A 33 4.658 -16.323 -9.724 1.00 0.00 O ATOM 615 CB GLN A 33 3.505 -14.118 -8.607 1.00 0.00 C ATOM 616 CG GLN A 33 4.586 -13.081 -8.294 1.00 0.00 C ATOM 617 CD GLN A 33 4.204 -11.707 -8.847 1.00 0.00 C ATOM 618 OE1 GLN A 33 4.861 -11.153 -9.714 1.00 0.00 O ATOM 619 NE2 GLN A 33 3.109 -11.189 -8.301 1.00 0.00 N ATOM 0 H GLN A 33 1.601 -13.501 -10.866 1.00 0.00 H new ATOM 0 HA GLN A 33 3.841 -13.485 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.550 -13.788 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.751 -15.063 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.731 -13.016 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.536 -13.399 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.606 -11.705 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.772 -10.275 -8.603 1.00 0.00 H new ATOM 628 N TYR A 34 4.053 -15.858 -11.853 1.00 0.00 N ATOM 629 CA TYR A 34 4.696 -17.036 -12.411 1.00 0.00 C ATOM 630 C TYR A 34 6.168 -16.759 -12.727 1.00 0.00 C ATOM 631 O TYR A 34 6.676 -17.191 -13.760 1.00 0.00 O ATOM 632 CB TYR A 34 3.956 -17.343 -13.714 1.00 0.00 C ATOM 633 CG TYR A 34 4.448 -16.533 -14.915 1.00 0.00 C ATOM 634 CD1 TYR A 34 4.995 -15.280 -14.725 1.00 0.00 C ATOM 635 CD2 TYR A 34 4.344 -17.055 -16.189 1.00 0.00 C ATOM 636 CE1 TYR A 34 5.457 -14.518 -15.855 1.00 0.00 C ATOM 637 CE2 TYR A 34 4.807 -16.292 -17.319 1.00 0.00 C ATOM 638 CZ TYR A 34 5.340 -15.061 -17.096 1.00 0.00 C ATOM 639 OH TYR A 34 5.777 -14.341 -18.164 1.00 0.00 O ATOM 0 H TYR A 34 3.584 -15.264 -12.537 1.00 0.00 H new ATOM 0 HA TYR A 34 4.659 -17.865 -11.704 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.060 -18.405 -13.938 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.893 -17.151 -13.570 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.076 -14.872 -13.729 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.916 -18.035 -16.338 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.887 -13.537 -15.720 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.733 -16.688 -18.321 1.00 0.00 H new ATOM 0 HH TYR A 34 5.631 -14.854 -18.986 1.00 0.00 H new ATOM 649 N GLU A 35 6.811 -16.042 -11.817 1.00 0.00 N ATOM 650 CA GLU A 35 8.213 -15.702 -11.986 1.00 0.00 C ATOM 651 C GLU A 35 9.051 -16.972 -12.149 1.00 0.00 C ATOM 652 O GLU A 35 8.520 -18.032 -12.481 1.00 0.00 O ATOM 653 CB GLU A 35 8.718 -14.860 -10.813 1.00 0.00 C ATOM 654 CG GLU A 35 9.752 -13.833 -11.281 1.00 0.00 C ATOM 655 CD GLU A 35 10.835 -13.624 -10.221 1.00 0.00 C ATOM 656 OE1 GLU A 35 11.035 -14.492 -9.358 1.00 0.00 O ATOM 657 OE2 GLU A 35 11.483 -12.513 -10.315 1.00 0.00 O ATOM 0 H GLU A 35 6.386 -15.687 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 35 8.315 -15.103 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.880 -14.348 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.161 -15.510 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.209 -14.170 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.258 -12.885 -11.493 1.00 0.00 H new ATOM 665 N LEU A 36 10.345 -16.825 -11.908 1.00 0.00 N ATOM 666 CA LEU A 36 11.261 -17.947 -12.024 1.00 0.00 C ATOM 667 C LEU A 36 10.601 -19.200 -11.445 1.00 0.00 C ATOM 668 O LEU A 36 10.896 -20.316 -11.872 1.00 0.00 O ATOM 669 CB LEU A 36 12.607 -17.608 -11.382 1.00 0.00 C ATOM 670 CG LEU A 36 12.798 -18.075 -9.937 1.00 0.00 C ATOM 671 CD1 LEU A 36 11.662 -17.571 -9.043 1.00 0.00 C ATOM 672 CD2 LEU A 36 12.948 -19.596 -9.868 1.00 0.00 C ATOM 0 H LEU A 36 10.781 -15.945 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 36 11.478 -18.156 -13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.398 -18.045 -11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.740 -16.527 -11.414 1.00 0.00 H new ATOM 0 HG LEU A 36 13.724 -17.642 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.822 -17.917 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.643 -16.481 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.711 -17.956 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.082 -19.902 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.053 -20.069 -10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.816 -19.903 -10.452 1.00 0.00 H new ATOM 684 N LEU A 37 9.720 -18.975 -10.481 1.00 0.00 N ATOM 685 CA LEU A 37 9.016 -20.072 -9.839 1.00 0.00 C ATOM 686 C LEU A 37 8.666 -21.130 -10.887 1.00 0.00 C ATOM 687 O LEU A 37 9.331 -22.161 -10.981 1.00 0.00 O ATOM 688 CB LEU A 37 7.805 -19.550 -9.063 1.00 0.00 C ATOM 689 CG LEU A 37 7.903 -19.628 -7.538 1.00 0.00 C ATOM 690 CD1 LEU A 37 6.798 -18.802 -6.875 1.00 0.00 C ATOM 691 CD2 LEU A 37 7.894 -21.082 -7.061 1.00 0.00 C ATOM 0 H LEU A 37 9.478 -18.049 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 37 9.655 -20.555 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.639 -18.510 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.926 -20.111 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 37 8.856 -19.195 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.890 -18.874 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.891 -17.759 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.824 -19.183 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.965 -21.109 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.968 -21.563 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.743 -21.612 -7.493 1.00 0.00 H new TER 703 LEU A 37