USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= -0.317 K(o=-0.32,f=-0.84) USER MOD Set 1.2: A 100 SER OG : rot 180:sc=0.000512 USER MOD Set 1.3: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.97! X(o=-1.5!,f=-1.8) USER MOD Set 2.2: A 88 TYR OH : rot -140:sc= -0.511 USER MOD Set 3.1: A 62 SER OG : rot -70:sc= 0.31 USER MOD Set 3.2: A 81 GLN : amide:sc= -0.782 X(o=-0.47,f=-0.19) USER MOD Single : A 1 GLN : amide:sc= -1.64! C(o=-1.6!,f=-4!) USER MOD Single : A 1 GLN N :NH3+ -138:sc= -0.151 (180deg=-1.52!) USER MOD Single : A 3 ASN : amide:sc= 0.134 K(o=0.13,f=-0.69) USER MOD Single : A 14 THR OG1 : rot -90:sc= -1.2 USER MOD Single : A 15 GLN : amide:sc= -5.77! C(o=-5.8!,f=-6.5!) USER MOD Single : A 17 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 THR OG1 : rot 92:sc= -3.11! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0317 F(o=-1.1,f=-0.032) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 151:sc= -1.45 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.46! C(o=-6.3!,f=-3.5!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -50:sc= 0.853 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= -0.0539 (180deg=-0.864) USER MOD Single : A 89 SER OG : rot 180:sc= -1.77! USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 80:sc= -0.564 USER MOD Single : A 99 SER OG : rot -84:sc= 1.21 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 88:sc= -3.3! USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 115 GLN : amide:sc= 0.247 K(o=0.25,f=-2.3) USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.156 -6.077 -15.901 1.00 0.00 N ATOM 2 CA GLN A 1 24.072 -7.541 -15.964 1.00 0.00 C ATOM 3 C GLN A 1 22.581 -7.989 -16.077 1.00 0.00 C ATOM 4 O GLN A 1 22.124 -8.314 -17.169 1.00 0.00 O ATOM 5 CB GLN A 1 24.720 -8.010 -14.711 1.00 0.00 C ATOM 6 CG GLN A 1 26.208 -7.704 -14.718 1.00 0.00 C ATOM 7 CD GLN A 1 26.881 -7.972 -13.410 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.377 -9.050 -13.136 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.831 -6.962 -12.556 1.00 0.00 N ATOM 0 H1 GLN A 1 24.944 -5.749 -16.496 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.266 -5.663 -16.245 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.318 -5.781 -14.917 1.00 0.00 H new ATOM 0 HA GLN A 1 24.568 -7.965 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.251 -7.529 -13.853 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.567 -9.083 -14.598 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.689 -8.300 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.354 -6.657 -14.984 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.404 -6.079 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.219 -7.067 -11.619 1.00 0.00 H new ATOM 18 N CYS A 2 21.805 -7.963 -14.953 1.00 0.00 N ATOM 19 CA CYS A 2 20.344 -8.241 -15.069 1.00 0.00 C ATOM 20 C CYS A 2 19.667 -7.084 -15.749 1.00 0.00 C ATOM 21 O CYS A 2 18.524 -7.203 -16.183 1.00 0.00 O ATOM 22 CB CYS A 2 19.522 -8.489 -13.786 1.00 0.00 C ATOM 23 SG CYS A 2 19.985 -9.736 -12.536 1.00 0.00 S ATOM 0 H CYS A 2 22.142 -7.765 -14.011 1.00 0.00 H new ATOM 0 HA CYS A 2 20.348 -9.186 -15.611 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.466 -7.534 -13.264 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.510 -8.735 -14.109 1.00 0.00 H new ATOM 28 N ASN A 3 20.349 -5.912 -15.741 1.00 0.00 N ATOM 29 CA ASN A 3 19.778 -4.657 -16.244 1.00 0.00 C ATOM 30 C ASN A 3 18.810 -4.043 -15.196 1.00 0.00 C ATOM 31 O ASN A 3 17.980 -3.188 -15.502 1.00 0.00 O ATOM 32 CB ASN A 3 19.131 -4.917 -17.673 1.00 0.00 C ATOM 33 CG ASN A 3 17.663 -4.524 -17.825 1.00 0.00 C ATOM 34 OD1 ASN A 3 17.337 -3.432 -18.283 1.00 0.00 O ATOM 35 ND2 ASN A 3 16.778 -5.426 -17.440 1.00 0.00 N ATOM 0 H ASN A 3 21.301 -5.820 -15.387 1.00 0.00 H new ATOM 0 HA ASN A 3 20.553 -3.904 -16.388 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.711 -4.372 -18.417 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.229 -5.977 -17.907 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.781 -5.227 -17.518 1.00 0.00 H new ATOM 0 HD22 ASN A 3 17.092 -6.321 -17.065 1.00 0.00 H new ATOM 42 N ALA A 4 19.064 -4.418 -13.903 1.00 0.00 N ATOM 43 CA ALA A 4 18.310 -3.907 -12.737 1.00 0.00 C ATOM 44 C ALA A 4 16.901 -4.450 -12.688 1.00 0.00 C ATOM 45 O ALA A 4 16.298 -4.702 -13.712 1.00 0.00 O ATOM 46 CB ALA A 4 18.302 -2.374 -12.722 1.00 0.00 C ATOM 0 H ALA A 4 19.797 -5.081 -13.653 1.00 0.00 H new ATOM 0 HA ALA A 4 18.823 -4.261 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.742 -2.022 -11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.326 -2.005 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.832 -2.004 -13.633 1.00 0.00 H new ATOM 52 N PRO A 5 16.372 -4.720 -11.481 1.00 0.00 N ATOM 53 CA PRO A 5 14.992 -5.126 -11.370 1.00 0.00 C ATOM 54 C PRO A 5 14.103 -3.887 -11.550 1.00 0.00 C ATOM 55 O PRO A 5 13.404 -3.758 -12.555 1.00 0.00 O ATOM 56 CB PRO A 5 14.877 -5.682 -9.909 1.00 0.00 C ATOM 57 CG PRO A 5 16.220 -5.466 -9.270 1.00 0.00 C ATOM 58 CD PRO A 5 17.077 -4.666 -10.204 1.00 0.00 C ATOM 0 HA PRO A 5 14.686 -5.864 -12.112 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.095 -5.163 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.615 -6.740 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.106 -4.943 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.692 -6.424 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.192 -3.639 -9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.078 -5.089 -10.285 1.00 0.00 H new ATOM 66 N GLU A 6 14.205 -2.967 -10.553 1.00 0.00 N ATOM 67 CA GLU A 6 13.585 -1.613 -10.545 1.00 0.00 C ATOM 68 C GLU A 6 13.297 -1.172 -9.119 1.00 0.00 C ATOM 69 O GLU A 6 13.646 -1.862 -8.165 1.00 0.00 O ATOM 70 CB GLU A 6 12.289 -1.491 -11.376 1.00 0.00 C ATOM 71 CG GLU A 6 11.123 -2.335 -10.893 1.00 0.00 C ATOM 72 CD GLU A 6 9.886 -2.105 -11.740 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.014 -1.930 -12.976 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.778 -2.122 -11.175 1.00 0.00 O ATOM 0 H GLU A 6 14.739 -3.154 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 6 14.321 -0.964 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.980 -0.446 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.512 -1.766 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.397 -3.389 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.904 -2.094 -9.853 1.00 0.00 H new ATOM 81 N TRP A 7 12.686 -0.024 -8.985 1.00 0.00 N ATOM 82 CA TRP A 7 12.183 0.411 -7.715 1.00 0.00 C ATOM 83 C TRP A 7 10.940 -0.330 -7.394 1.00 0.00 C ATOM 84 O TRP A 7 9.949 -0.251 -8.118 1.00 0.00 O ATOM 85 CB TRP A 7 11.922 1.930 -7.712 1.00 0.00 C ATOM 86 CG TRP A 7 11.253 2.412 -6.451 1.00 0.00 C ATOM 87 CD1 TRP A 7 11.818 2.726 -5.250 1.00 0.00 C ATOM 88 CD2 TRP A 7 9.835 2.675 -6.306 1.00 0.00 C ATOM 89 NE1 TRP A 7 10.836 3.117 -4.360 1.00 0.00 N ATOM 90 CE2 TRP A 7 9.619 3.109 -4.994 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.721 2.576 -7.175 1.00 0.00 C ATOM 92 CZ2 TRP A 7 8.342 3.439 -4.512 1.00 0.00 C ATOM 93 CZ3 TRP A 7 7.463 2.909 -6.696 1.00 0.00 C ATOM 94 CH2 TRP A 7 7.285 3.338 -5.385 1.00 0.00 C ATOM 0 H TRP A 7 12.525 0.630 -9.751 1.00 0.00 H new ATOM 0 HA TRP A 7 12.934 0.203 -6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.869 2.456 -7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.298 2.187 -8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 7 12.874 2.676 -5.028 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.991 3.372 -3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.849 2.246 -8.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 8.196 3.761 -3.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.608 2.834 -7.351 1.00 0.00 H new ATOM 0 HH2 TRP A 7 6.293 3.598 -5.045 1.00 0.00 H new ATOM 105 N LEU A 8 10.981 -1.027 -6.305 1.00 0.00 N ATOM 106 CA LEU A 8 9.898 -1.848 -5.914 1.00 0.00 C ATOM 107 C LEU A 8 9.274 -1.290 -4.664 1.00 0.00 C ATOM 108 O LEU A 8 9.931 -1.180 -3.638 1.00 0.00 O ATOM 109 CB LEU A 8 10.378 -3.296 -5.713 1.00 0.00 C ATOM 110 CG LEU A 8 9.274 -4.335 -5.771 1.00 0.00 C ATOM 111 CD1 LEU A 8 8.660 -4.381 -7.153 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.770 -5.718 -5.380 1.00 0.00 C ATOM 0 H LEU A 8 11.774 -1.038 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 8 9.140 -1.860 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.120 -3.529 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.879 -3.369 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 8 8.515 -4.036 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.870 -5.132 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.240 -3.405 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.427 -4.639 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.946 -6.429 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.563 -6.026 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.158 -5.691 -4.362 1.00 0.00 H new ATOM 124 N PRO A 9 7.991 -0.907 -4.740 1.00 0.00 N ATOM 125 CA PRO A 9 7.301 -0.269 -3.612 1.00 0.00 C ATOM 126 C PRO A 9 7.224 -1.156 -2.370 1.00 0.00 C ATOM 127 O PRO A 9 7.180 -0.676 -1.241 1.00 0.00 O ATOM 128 CB PRO A 9 5.872 -0.022 -4.168 1.00 0.00 C ATOM 129 CG PRO A 9 5.732 -0.983 -5.310 1.00 0.00 C ATOM 130 CD PRO A 9 7.102 -1.116 -5.905 1.00 0.00 C ATOM 0 HA PRO A 9 7.826 0.628 -3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.115 -0.202 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.750 1.009 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.360 -1.948 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.020 -0.612 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.253 -2.096 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.277 -0.375 -6.685 1.00 0.00 H new ATOM 138 N PHE A 10 7.177 -2.444 -2.606 1.00 0.00 N ATOM 139 CA PHE A 10 7.081 -3.430 -1.541 1.00 0.00 C ATOM 140 C PHE A 10 8.329 -3.437 -0.709 1.00 0.00 C ATOM 141 O PHE A 10 8.293 -3.557 0.503 1.00 0.00 O ATOM 142 CB PHE A 10 6.991 -4.815 -2.127 1.00 0.00 C ATOM 143 CG PHE A 10 5.815 -5.049 -2.991 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.556 -5.290 -2.480 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.988 -5.024 -4.347 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.498 -5.498 -3.325 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.956 -5.224 -5.189 1.00 0.00 C ATOM 148 CZ PHE A 10 3.697 -5.465 -4.690 1.00 0.00 C ATOM 0 H PHE A 10 7.204 -2.846 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 10 6.203 -3.172 -0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.894 -5.008 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.975 -5.538 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.404 -5.315 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.972 -4.840 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.513 -5.687 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.117 -5.195 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.868 -5.628 -5.363 1.00 0.00 H new ATOM 158 N ALA A 11 9.435 -3.315 -1.403 1.00 0.00 N ATOM 159 CA ALA A 11 10.701 -3.712 -0.879 1.00 0.00 C ATOM 160 C ALA A 11 11.750 -2.640 -0.845 1.00 0.00 C ATOM 161 O ALA A 11 11.797 -1.763 -1.703 1.00 0.00 O ATOM 162 CB ALA A 11 11.193 -4.834 -1.753 1.00 0.00 C ATOM 0 H ALA A 11 9.473 -2.935 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 11 10.545 -3.991 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.163 -5.176 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.482 -5.660 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.290 -4.480 -2.779 1.00 0.00 H new ATOM 168 N ARG A 12 12.601 -2.733 0.172 1.00 0.00 N ATOM 169 CA ARG A 12 13.775 -1.896 0.292 1.00 0.00 C ATOM 170 C ARG A 12 14.991 -2.821 0.430 1.00 0.00 C ATOM 171 O ARG A 12 15.465 -3.071 1.526 1.00 0.00 O ATOM 172 CB ARG A 12 13.657 -0.965 1.521 1.00 0.00 C ATOM 173 CG ARG A 12 14.547 0.305 1.498 1.00 0.00 C ATOM 174 CD ARG A 12 16.058 0.002 1.328 1.00 0.00 C ATOM 175 NE ARG A 12 16.914 1.205 1.504 1.00 0.00 N ATOM 176 CZ ARG A 12 17.452 1.925 0.491 1.00 0.00 C ATOM 177 NH1 ARG A 12 17.128 1.658 -0.777 1.00 0.00 N ATOM 178 NH2 ARG A 12 18.294 2.929 0.753 1.00 0.00 N ATOM 0 H ARG A 12 12.489 -3.398 0.938 1.00 0.00 H new ATOM 0 HA ARG A 12 13.879 -1.260 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.617 -0.654 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.902 -1.541 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.221 0.952 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.398 0.859 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.355 -0.757 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.230 -0.418 0.337 1.00 0.00 H new ATOM 0 HE ARG A 12 17.110 1.510 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.471 0.907 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.538 2.205 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.533 3.155 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.697 3.469 -0.012 1.00 0.00 H new ATOM 192 N PRO A 13 15.467 -3.384 -0.696 1.00 0.00 N ATOM 193 CA PRO A 13 16.593 -4.315 -0.724 1.00 0.00 C ATOM 194 C PRO A 13 17.870 -3.654 -0.285 1.00 0.00 C ATOM 195 O PRO A 13 18.085 -2.456 -0.500 1.00 0.00 O ATOM 196 CB PRO A 13 16.642 -4.822 -2.168 1.00 0.00 C ATOM 197 CG PRO A 13 15.371 -4.363 -2.773 1.00 0.00 C ATOM 198 CD PRO A 13 14.995 -3.114 -2.052 1.00 0.00 C ATOM 0 HA PRO A 13 16.470 -5.141 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.503 -4.417 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.727 -5.908 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.493 -4.175 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.595 -5.121 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.475 -2.235 -2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.920 -2.936 -2.081 1.00 0.00 H new ATOM 206 N THR A 14 18.718 -4.434 0.304 1.00 0.00 N ATOM 207 CA THR A 14 19.874 -3.916 0.986 1.00 0.00 C ATOM 208 C THR A 14 21.044 -3.717 0.038 1.00 0.00 C ATOM 209 O THR A 14 22.000 -3.020 0.361 1.00 0.00 O ATOM 210 CB THR A 14 20.301 -4.913 2.092 1.00 0.00 C ATOM 211 OG1 THR A 14 21.061 -5.989 1.525 1.00 0.00 O ATOM 212 CG2 THR A 14 19.083 -5.512 2.778 1.00 0.00 C ATOM 0 H THR A 14 18.634 -5.450 0.329 1.00 0.00 H new ATOM 0 HA THR A 14 19.605 -2.949 1.412 1.00 0.00 H new ATOM 0 HB THR A 14 20.902 -4.363 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.456 -6.715 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.407 -6.209 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.493 -4.716 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.475 -6.041 2.044 1.00 0.00 H new ATOM 220 N GLN A 15 20.938 -4.289 -1.131 1.00 0.00 N ATOM 221 CA GLN A 15 22.056 -4.343 -2.037 1.00 0.00 C ATOM 222 C GLN A 15 21.752 -3.452 -3.250 1.00 0.00 C ATOM 223 O GLN A 15 22.617 -2.901 -3.858 1.00 0.00 O ATOM 224 CB GLN A 15 22.160 -5.780 -2.521 1.00 0.00 C ATOM 225 CG GLN A 15 21.795 -6.797 -1.476 1.00 0.00 C ATOM 226 CD GLN A 15 20.902 -7.813 -2.102 1.00 0.00 C ATOM 227 OE1 GLN A 15 21.332 -8.836 -2.599 1.00 0.00 O ATOM 228 NE2 GLN A 15 19.630 -7.468 -2.154 1.00 0.00 N ATOM 0 H GLN A 15 20.085 -4.726 -1.481 1.00 0.00 H new ATOM 0 HA GLN A 15 22.974 -4.011 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.509 -5.911 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.179 -5.968 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.692 -7.273 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.293 -6.316 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.319 -6.598 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.957 -8.071 -2.627 1.00 0.00 H new ATOM 237 N LEU A 16 20.478 -3.294 -3.505 1.00 0.00 N ATOM 238 CA LEU A 16 19.948 -2.649 -4.691 1.00 0.00 C ATOM 239 C LEU A 16 20.321 -1.201 -4.829 1.00 0.00 C ATOM 240 O LEU A 16 20.673 -0.733 -5.911 1.00 0.00 O ATOM 241 CB LEU A 16 18.469 -2.722 -4.607 1.00 0.00 C ATOM 242 CG LEU A 16 17.746 -2.030 -5.703 1.00 0.00 C ATOM 243 CD1 LEU A 16 17.938 -2.752 -6.999 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.320 -1.857 -5.332 1.00 0.00 C ATOM 0 H LEU A 16 19.749 -3.622 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 16 20.370 -3.167 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.171 -3.771 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.152 -2.295 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 16 18.160 -1.033 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.400 -2.229 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 16 19.000 -2.786 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.554 -3.768 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.793 -1.349 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.867 -2.834 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.251 -1.261 -4.422 1.00 0.00 H new ATOM 256 N THR A 17 20.260 -0.539 -3.745 1.00 0.00 N ATOM 257 CA THR A 17 20.388 0.895 -3.669 1.00 0.00 C ATOM 258 C THR A 17 21.703 1.382 -4.297 1.00 0.00 C ATOM 259 O THR A 17 21.735 2.449 -4.908 1.00 0.00 O ATOM 260 CB THR A 17 20.285 1.361 -2.187 1.00 0.00 C ATOM 261 OG1 THR A 17 20.177 2.782 -2.097 1.00 0.00 O ATOM 262 CG2 THR A 17 21.481 0.876 -1.373 1.00 0.00 C ATOM 0 H THR A 17 20.114 -0.980 -2.837 1.00 0.00 H new ATOM 0 HA THR A 17 19.571 1.336 -4.240 1.00 0.00 H new ATOM 0 HB THR A 17 19.379 0.919 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.273 3.059 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.382 1.216 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.517 -0.213 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.399 1.278 -1.801 1.00 0.00 H new ATOM 270 N ASP A 18 22.771 0.641 -4.098 1.00 0.00 N ATOM 271 CA ASP A 18 24.094 1.073 -4.554 1.00 0.00 C ATOM 272 C ASP A 18 24.582 0.167 -5.688 1.00 0.00 C ATOM 273 O ASP A 18 25.738 0.198 -6.067 1.00 0.00 O ATOM 274 CB ASP A 18 25.066 0.973 -3.373 1.00 0.00 C ATOM 275 CG ASP A 18 26.325 1.794 -3.528 1.00 0.00 C ATOM 276 OD1 ASP A 18 27.314 1.295 -4.095 1.00 0.00 O ATOM 277 OD2 ASP A 18 26.346 2.937 -3.006 1.00 0.00 O ATOM 0 H ASP A 18 22.760 -0.263 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 18 24.041 2.098 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.550 1.289 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.343 -0.072 -3.234 1.00 0.00 H new ATOM 282 N GLU A 19 23.687 -0.638 -6.219 1.00 0.00 N ATOM 283 CA GLU A 19 24.082 -1.683 -7.173 1.00 0.00 C ATOM 284 C GLU A 19 23.211 -1.681 -8.409 1.00 0.00 C ATOM 285 O GLU A 19 23.621 -1.222 -9.469 1.00 0.00 O ATOM 286 CB GLU A 19 23.980 -2.998 -6.460 1.00 0.00 C ATOM 287 CG GLU A 19 24.974 -3.154 -5.307 1.00 0.00 C ATOM 288 CD GLU A 19 26.416 -3.215 -5.753 1.00 0.00 C ATOM 289 OE1 GLU A 19 26.670 -3.531 -6.936 1.00 0.00 O ATOM 290 OE2 GLU A 19 27.309 -3.009 -4.910 1.00 0.00 O ATOM 0 H GLU A 19 22.688 -0.600 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 19 25.100 -1.500 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.968 -3.113 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.140 -3.803 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 19 24.851 -2.319 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.735 -4.062 -4.753 1.00 0.00 H new ATOM 297 N PHE A 20 21.991 -2.199 -8.257 1.00 0.00 N ATOM 298 CA PHE A 20 20.990 -2.305 -9.336 1.00 0.00 C ATOM 299 C PHE A 20 21.399 -3.354 -10.375 1.00 0.00 C ATOM 300 O PHE A 20 20.558 -4.028 -10.956 1.00 0.00 O ATOM 301 CB PHE A 20 20.778 -0.937 -10.037 1.00 0.00 C ATOM 302 CG PHE A 20 20.163 0.122 -9.162 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.831 0.090 -8.827 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.944 1.144 -8.665 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.284 1.059 -8.013 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.408 2.121 -7.848 1.00 0.00 C ATOM 307 CZ PHE A 20 19.072 2.081 -7.524 1.00 0.00 C ATOM 0 H PHE A 20 21.658 -2.566 -7.365 1.00 0.00 H new ATOM 0 HA PHE A 20 20.053 -2.616 -8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.740 -0.576 -10.401 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.142 -1.085 -10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.205 -0.704 -9.206 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.993 1.181 -8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.236 1.018 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.035 2.913 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.643 2.844 -6.891 1.00 0.00 H new ATOM 317 N GLU A 21 22.675 -3.529 -10.559 1.00 0.00 N ATOM 318 CA GLU A 21 23.190 -4.406 -11.580 1.00 0.00 C ATOM 319 C GLU A 21 23.846 -5.655 -10.960 1.00 0.00 C ATOM 320 O GLU A 21 24.826 -5.561 -10.239 1.00 0.00 O ATOM 321 CB GLU A 21 24.180 -3.576 -12.392 1.00 0.00 C ATOM 322 CG GLU A 21 23.488 -2.470 -13.194 1.00 0.00 C ATOM 323 CD GLU A 21 24.441 -1.534 -13.907 1.00 0.00 C ATOM 324 OE1 GLU A 21 25.656 -1.683 -13.742 1.00 0.00 O ATOM 325 OE2 GLU A 21 23.959 -0.665 -14.668 1.00 0.00 O ATOM 0 H GLU A 21 23.395 -3.067 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 21 22.395 -4.785 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.914 -3.130 -11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.726 -4.229 -13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.828 -2.929 -13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.859 -1.887 -12.521 1.00 0.00 H new ATOM 332 N PHE A 22 23.276 -6.834 -11.256 1.00 0.00 N ATOM 333 CA PHE A 22 23.786 -8.107 -10.731 1.00 0.00 C ATOM 334 C PHE A 22 23.818 -9.149 -11.830 1.00 0.00 C ATOM 335 O PHE A 22 22.980 -9.136 -12.709 1.00 0.00 O ATOM 336 CB PHE A 22 22.915 -8.600 -9.572 1.00 0.00 C ATOM 337 CG PHE A 22 23.053 -7.789 -8.315 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.132 -7.990 -7.462 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.104 -6.830 -7.976 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.253 -7.252 -6.302 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.223 -6.101 -6.827 1.00 0.00 C ATOM 342 CZ PHE A 22 23.297 -6.308 -5.981 1.00 0.00 C ATOM 0 H PHE A 22 22.459 -6.930 -11.859 1.00 0.00 H new ATOM 0 HA PHE A 22 24.799 -7.945 -10.362 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.871 -8.590 -9.886 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.172 -9.636 -9.353 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.881 -8.728 -7.709 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.262 -6.660 -8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.095 -7.413 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.476 -5.361 -6.579 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.388 -5.733 -5.071 1.00 0.00 H new ATOM 352 N PRO A 23 24.786 -10.062 -11.780 1.00 0.00 N ATOM 353 CA PRO A 23 24.971 -11.121 -12.785 1.00 0.00 C ATOM 354 C PRO A 23 23.871 -12.171 -12.780 1.00 0.00 C ATOM 355 O PRO A 23 23.199 -12.374 -11.773 1.00 0.00 O ATOM 356 CB PRO A 23 26.338 -11.698 -12.439 1.00 0.00 C ATOM 357 CG PRO A 23 26.435 -11.528 -10.978 1.00 0.00 C ATOM 358 CD PRO A 23 25.788 -10.193 -10.684 1.00 0.00 C ATOM 0 HA PRO A 23 24.917 -10.732 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.413 -12.747 -12.725 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.138 -11.169 -12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.924 -12.336 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.474 -11.542 -10.649 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.316 -10.180 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.514 -9.380 -10.700 1.00 0.00 H new ATOM 366 N ILE A 24 23.713 -12.863 -13.905 1.00 0.00 N ATOM 367 CA ILE A 24 22.633 -13.842 -14.075 1.00 0.00 C ATOM 368 C ILE A 24 22.893 -15.029 -13.177 1.00 0.00 C ATOM 369 O ILE A 24 24.007 -15.523 -13.107 1.00 0.00 O ATOM 370 CB ILE A 24 22.493 -14.334 -15.567 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.791 -13.278 -16.433 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.724 -15.657 -15.639 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.604 -12.019 -16.635 1.00 0.00 C ATOM 0 H ILE A 24 24.320 -12.766 -14.719 1.00 0.00 H new ATOM 0 HA ILE A 24 21.698 -13.351 -13.806 1.00 0.00 H new ATOM 0 HB ILE A 24 23.500 -14.491 -15.954 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.563 -13.712 -17.406 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.840 -13.015 -15.970 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.642 -15.974 -16.679 1.00 0.00 H new ATOM 0 HG22 ILE A 24 22.256 -16.418 -15.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.727 -15.521 -15.221 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.044 -11.320 -17.256 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.810 -11.560 -15.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.544 -12.268 -17.127 1.00 0.00 H new ATOM 385 N GLY A 25 21.855 -15.463 -12.460 1.00 0.00 N ATOM 386 CA GLY A 25 22.036 -16.517 -11.497 1.00 0.00 C ATOM 387 C GLY A 25 22.487 -15.988 -10.139 1.00 0.00 C ATOM 388 O GLY A 25 23.140 -16.693 -9.379 1.00 0.00 O ATOM 0 H GLY A 25 20.904 -15.101 -12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.100 -17.063 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.774 -17.226 -11.872 1.00 0.00 H new ATOM 392 N THR A 26 22.155 -14.716 -9.849 1.00 0.00 N ATOM 393 CA THR A 26 22.529 -14.125 -8.579 1.00 0.00 C ATOM 394 C THR A 26 21.293 -13.731 -7.750 1.00 0.00 C ATOM 395 O THR A 26 20.389 -13.045 -8.209 1.00 0.00 O ATOM 396 CB THR A 26 23.439 -12.908 -8.770 1.00 0.00 C ATOM 397 OG1 THR A 26 24.605 -13.315 -9.487 1.00 0.00 O ATOM 398 CG2 THR A 26 23.857 -12.349 -7.418 1.00 0.00 C ATOM 0 H THR A 26 21.637 -14.098 -10.474 1.00 0.00 H new ATOM 0 HA THR A 26 23.082 -14.887 -8.031 1.00 0.00 H new ATOM 0 HB THR A 26 22.901 -12.138 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.460 -13.187 -10.448 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.504 -11.484 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.971 -12.048 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.396 -13.114 -6.859 1.00 0.00 H new ATOM 406 N TYR A 27 21.290 -14.202 -6.526 1.00 0.00 N ATOM 407 CA TYR A 27 20.198 -14.041 -5.599 1.00 0.00 C ATOM 408 C TYR A 27 20.293 -12.694 -4.830 1.00 0.00 C ATOM 409 O TYR A 27 21.371 -12.305 -4.375 1.00 0.00 O ATOM 410 CB TYR A 27 20.287 -15.231 -4.629 1.00 0.00 C ATOM 411 CG TYR A 27 19.911 -16.575 -5.245 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.708 -17.170 -6.216 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.787 -17.257 -4.822 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.387 -18.408 -6.750 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.460 -18.503 -5.354 1.00 0.00 C ATOM 416 CZ TYR A 27 19.262 -19.064 -6.314 1.00 0.00 C ATOM 417 OH TYR A 27 18.942 -20.292 -6.848 1.00 0.00 O ATOM 0 H TYR A 27 22.074 -14.725 -6.136 1.00 0.00 H new ATOM 0 HA TYR A 27 19.243 -14.021 -6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.304 -15.294 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.634 -15.040 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.594 -16.658 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 27 18.152 -16.818 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.018 -18.854 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.578 -19.024 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 27 18.118 -20.624 -6.434 1.00 0.00 H new ATOM 427 N LEU A 28 19.156 -12.007 -4.713 1.00 0.00 N ATOM 428 CA LEU A 28 19.033 -10.701 -3.987 1.00 0.00 C ATOM 429 C LEU A 28 18.146 -10.724 -2.758 1.00 0.00 C ATOM 430 O LEU A 28 17.142 -11.428 -2.698 1.00 0.00 O ATOM 431 CB LEU A 28 18.643 -9.517 -4.884 1.00 0.00 C ATOM 432 CG LEU A 28 19.764 -8.829 -5.654 1.00 0.00 C ATOM 433 CD1 LEU A 28 20.463 -9.759 -6.599 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.216 -7.616 -6.364 1.00 0.00 C ATOM 0 H LEU A 28 18.275 -12.327 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 28 20.054 -10.545 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.904 -9.868 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.152 -8.769 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 28 20.522 -8.508 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.252 -9.220 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.898 -10.587 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.747 -10.148 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.018 -7.124 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.434 -7.923 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.800 -6.923 -5.632 1.00 0.00 H new ATOM 446 N ASN A 29 18.532 -9.918 -1.786 1.00 0.00 N ATOM 447 CA ASN A 29 17.824 -9.781 -0.529 1.00 0.00 C ATOM 448 C ASN A 29 16.787 -8.658 -0.592 1.00 0.00 C ATOM 449 O ASN A 29 17.122 -7.471 -0.570 1.00 0.00 O ATOM 450 CB ASN A 29 18.832 -9.429 0.566 1.00 0.00 C ATOM 451 CG ASN A 29 18.304 -9.699 1.964 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.698 -8.829 2.592 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.513 -10.891 2.446 1.00 0.00 N ATOM 0 H ASN A 29 19.363 -9.329 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 29 17.315 -10.722 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.745 -10.004 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.100 -8.376 0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.170 -11.132 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.019 -11.583 1.894 1.00 0.00 H new ATOM 460 N TYR A 30 15.550 -9.072 -0.669 1.00 0.00 N ATOM 461 CA TYR A 30 14.353 -8.195 -0.657 1.00 0.00 C ATOM 462 C TYR A 30 13.506 -8.342 0.594 1.00 0.00 C ATOM 463 O TYR A 30 13.329 -9.434 1.101 1.00 0.00 O ATOM 464 CB TYR A 30 13.471 -8.405 -1.897 1.00 0.00 C ATOM 465 CG TYR A 30 13.934 -7.680 -3.130 1.00 0.00 C ATOM 466 CD1 TYR A 30 15.184 -7.856 -3.665 1.00 0.00 C ATOM 467 CD2 TYR A 30 13.073 -6.800 -3.760 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.575 -7.162 -4.796 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.435 -6.107 -4.884 1.00 0.00 C ATOM 470 CZ TYR A 30 14.687 -6.283 -5.404 1.00 0.00 C ATOM 471 OH TYR A 30 15.059 -5.589 -6.517 1.00 0.00 O ATOM 0 H TYR A 30 15.313 -10.061 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 30 14.753 -7.181 -0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.424 -9.472 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.456 -8.083 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.872 -8.545 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 30 12.083 -6.655 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.565 -7.303 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.739 -5.429 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 30 14.317 -5.021 -6.812 1.00 0.00 H new ATOM 481 N GLU A 31 12.987 -7.202 1.077 1.00 0.00 N ATOM 482 CA GLU A 31 12.080 -7.156 2.235 1.00 0.00 C ATOM 483 C GLU A 31 10.696 -6.680 1.773 1.00 0.00 C ATOM 484 O GLU A 31 10.507 -6.362 0.622 1.00 0.00 O ATOM 485 CB GLU A 31 12.585 -6.212 3.359 1.00 0.00 C ATOM 486 CG GLU A 31 13.850 -6.649 4.084 1.00 0.00 C ATOM 487 CD GLU A 31 14.303 -5.630 5.123 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.627 -4.584 5.261 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.317 -5.894 5.839 1.00 0.00 O ATOM 0 H GLU A 31 13.185 -6.285 0.675 1.00 0.00 H new ATOM 0 HA GLU A 31 12.035 -8.164 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.761 -5.227 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.789 -6.099 4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.674 -7.608 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.648 -6.803 3.357 1.00 0.00 H new ATOM 496 N CYS A 32 9.730 -6.699 2.670 1.00 0.00 N ATOM 497 CA CYS A 32 8.369 -6.250 2.366 1.00 0.00 C ATOM 498 C CYS A 32 7.894 -5.176 3.334 1.00 0.00 C ATOM 499 O CYS A 32 8.399 -5.072 4.452 1.00 0.00 O ATOM 500 CB CYS A 32 7.385 -7.427 2.361 1.00 0.00 C ATOM 501 SG CYS A 32 7.306 -8.412 0.830 1.00 0.00 S ATOM 0 H CYS A 32 9.857 -7.023 3.629 1.00 0.00 H new ATOM 0 HA CYS A 32 8.398 -5.813 1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.646 -8.094 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.388 -7.039 2.569 1.00 0.00 H new ATOM 506 N ARG A 33 6.988 -4.348 2.864 1.00 0.00 N ATOM 507 CA ARG A 33 6.374 -3.342 3.690 1.00 0.00 C ATOM 508 C ARG A 33 5.333 -4.021 4.592 1.00 0.00 C ATOM 509 O ARG A 33 4.933 -5.156 4.320 1.00 0.00 O ATOM 510 CB ARG A 33 5.741 -2.259 2.804 1.00 0.00 C ATOM 511 CG ARG A 33 6.411 -0.896 2.927 1.00 0.00 C ATOM 512 CD ARG A 33 7.942 -1.010 2.932 1.00 0.00 C ATOM 513 NE ARG A 33 8.504 -0.521 4.211 1.00 0.00 N ATOM 514 CZ ARG A 33 9.613 -0.982 4.825 1.00 0.00 C ATOM 515 NH1 ARG A 33 10.278 -2.040 4.355 1.00 0.00 N ATOM 516 NH2 ARG A 33 10.045 -0.375 5.933 1.00 0.00 N ATOM 0 H ARG A 33 6.659 -4.356 1.899 1.00 0.00 H new ATOM 0 HA ARG A 33 7.117 -2.854 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.784 -2.582 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.687 -2.160 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.097 -0.261 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.080 -0.410 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.234 -2.048 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.356 -0.434 2.104 1.00 0.00 H new ATOM 0 HE ARG A 33 8.004 0.239 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.950 -2.517 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.114 -2.371 4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.538 0.428 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.882 -0.714 6.407 1.00 0.00 H new ATOM 530 N PRO A 34 4.913 -3.383 5.682 1.00 0.00 N ATOM 531 CA PRO A 34 3.960 -3.965 6.605 1.00 0.00 C ATOM 532 C PRO A 34 2.564 -4.129 6.018 1.00 0.00 C ATOM 533 O PRO A 34 2.154 -3.383 5.124 1.00 0.00 O ATOM 534 CB PRO A 34 3.992 -2.998 7.782 1.00 0.00 C ATOM 535 CG PRO A 34 4.278 -1.686 7.154 1.00 0.00 C ATOM 536 CD PRO A 34 5.261 -2.001 6.072 1.00 0.00 C ATOM 0 HA PRO A 34 4.221 -4.987 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.042 -2.987 8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.761 -3.272 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.373 -1.233 6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.692 -0.982 7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.169 -1.312 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.288 -1.931 6.430 1.00 0.00 H new ATOM 544 N GLY A 35 1.844 -5.102 6.539 1.00 0.00 N ATOM 545 CA GLY A 35 0.494 -5.356 6.080 1.00 0.00 C ATOM 546 C GLY A 35 0.410 -6.249 4.855 1.00 0.00 C ATOM 547 O GLY A 35 -0.632 -6.324 4.213 1.00 0.00 O ATOM 0 H GLY A 35 2.169 -5.727 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.073 -5.815 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.014 -4.404 5.855 1.00 0.00 H new ATOM 551 N TYR A 36 1.488 -6.943 4.541 1.00 0.00 N ATOM 552 CA TYR A 36 1.490 -7.824 3.402 1.00 0.00 C ATOM 553 C TYR A 36 1.488 -9.309 3.789 1.00 0.00 C ATOM 554 O TYR A 36 2.219 -9.746 4.680 1.00 0.00 O ATOM 555 CB TYR A 36 2.637 -7.539 2.476 1.00 0.00 C ATOM 556 CG TYR A 36 2.536 -6.236 1.706 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.380 -5.919 1.009 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.590 -5.350 1.648 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.282 -4.757 0.277 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.505 -4.182 0.910 1.00 0.00 C ATOM 561 CZ TYR A 36 2.345 -3.892 0.226 1.00 0.00 C ATOM 562 OH TYR A 36 2.246 -2.738 -0.527 1.00 0.00 O ATOM 0 H TYR A 36 2.366 -6.910 5.059 1.00 0.00 H new ATOM 0 HA TYR A 36 0.556 -7.620 2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.559 -7.528 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.720 -8.359 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.540 -6.597 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.499 -5.571 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.371 -4.527 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.343 -3.502 0.871 1.00 0.00 H new ATOM 0 HH TYR A 36 3.082 -2.231 -0.460 1.00 0.00 H new ATOM 572 N SER A 37 0.628 -10.060 3.105 1.00 0.00 N ATOM 573 CA SER A 37 0.457 -11.520 3.294 1.00 0.00 C ATOM 574 C SER A 37 1.753 -12.284 2.980 1.00 0.00 C ATOM 575 O SER A 37 2.135 -13.220 3.692 1.00 0.00 O ATOM 576 CB SER A 37 -0.659 -12.039 2.369 1.00 0.00 C ATOM 577 OG SER A 37 -1.868 -11.327 2.599 1.00 0.00 O ATOM 0 H SER A 37 0.014 -9.675 2.388 1.00 0.00 H new ATOM 0 HA SER A 37 0.195 -11.689 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.357 -11.928 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.818 -13.103 2.543 1.00 0.00 H new ATOM 0 HG SER A 37 -2.567 -11.668 2.002 1.00 0.00 H new ATOM 583 N GLY A 38 2.408 -11.865 1.912 1.00 0.00 N ATOM 584 CA GLY A 38 3.564 -12.568 1.400 1.00 0.00 C ATOM 585 C GLY A 38 4.806 -12.443 2.259 1.00 0.00 C ATOM 586 O GLY A 38 4.893 -11.567 3.109 1.00 0.00 O ATOM 0 H GLY A 38 2.153 -11.033 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.315 -13.624 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.789 -12.193 0.401 1.00 0.00 H new ATOM 590 N ARG A 39 5.762 -13.337 2.036 1.00 0.00 N ATOM 591 CA ARG A 39 7.042 -13.316 2.747 1.00 0.00 C ATOM 592 C ARG A 39 8.162 -13.054 1.755 1.00 0.00 C ATOM 593 O ARG A 39 8.036 -13.388 0.569 1.00 0.00 O ATOM 594 CB ARG A 39 7.319 -14.649 3.426 1.00 0.00 C ATOM 595 CG ARG A 39 6.307 -15.068 4.467 1.00 0.00 C ATOM 596 CD ARG A 39 6.175 -14.044 5.584 1.00 0.00 C ATOM 597 NE ARG A 39 5.627 -14.657 6.794 1.00 0.00 N ATOM 598 CZ ARG A 39 4.372 -15.065 6.920 1.00 0.00 C ATOM 599 NH1 ARG A 39 3.483 -14.772 5.986 1.00 0.00 N ATOM 600 NH2 ARG A 39 3.994 -15.732 7.986 1.00 0.00 N ATOM 0 H ARG A 39 5.676 -14.096 1.360 1.00 0.00 H new ATOM 0 HA ARG A 39 6.993 -12.532 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.370 -15.424 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.301 -14.601 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.337 -15.211 3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.600 -16.029 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.151 -13.610 5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.528 -13.228 5.260 1.00 0.00 H new ATOM 0 HE ARG A 39 6.251 -14.778 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.763 -14.231 5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.518 -15.087 6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.668 -15.939 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.027 -16.043 8.077 1.00 0.00 H new ATOM 614 N PRO A 40 9.281 -12.443 2.199 1.00 0.00 N ATOM 615 CA PRO A 40 10.400 -12.151 1.312 1.00 0.00 C ATOM 616 C PRO A 40 11.032 -13.409 0.708 1.00 0.00 C ATOM 617 O PRO A 40 11.141 -14.437 1.353 1.00 0.00 O ATOM 618 CB PRO A 40 11.419 -11.457 2.220 1.00 0.00 C ATOM 619 CG PRO A 40 10.668 -11.037 3.428 1.00 0.00 C ATOM 620 CD PRO A 40 9.527 -12.002 3.576 1.00 0.00 C ATOM 0 HA PRO A 40 10.073 -11.552 0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.233 -12.133 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.866 -10.598 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.309 -11.056 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.302 -10.016 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.788 -12.837 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.648 -11.524 4.009 1.00 0.00 H new ATOM 628 N PHE A 41 11.427 -13.296 -0.525 1.00 0.00 N ATOM 629 CA PHE A 41 12.195 -14.314 -1.203 1.00 0.00 C ATOM 630 C PHE A 41 13.229 -13.658 -2.084 1.00 0.00 C ATOM 631 O PHE A 41 13.034 -12.521 -2.527 1.00 0.00 O ATOM 632 CB PHE A 41 11.340 -15.339 -1.992 1.00 0.00 C ATOM 633 CG PHE A 41 10.469 -16.227 -1.142 1.00 0.00 C ATOM 634 CD1 PHE A 41 11.023 -17.281 -0.439 1.00 0.00 C ATOM 635 CD2 PHE A 41 9.103 -16.011 -1.044 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.241 -18.106 0.346 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.312 -16.835 -0.263 1.00 0.00 C ATOM 638 CZ PHE A 41 8.884 -17.888 0.435 1.00 0.00 C ATOM 0 H PHE A 41 11.224 -12.481 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 41 12.687 -14.906 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.706 -14.797 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.006 -15.967 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.086 -17.462 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.652 -15.191 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.694 -18.922 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.249 -16.658 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.269 -18.533 1.045 1.00 0.00 H new ATOM 648 N SER A 42 14.326 -14.341 -2.331 1.00 0.00 N ATOM 649 CA SER A 42 15.384 -13.808 -3.170 1.00 0.00 C ATOM 650 C SER A 42 14.970 -13.800 -4.655 1.00 0.00 C ATOM 651 O SER A 42 14.162 -14.618 -5.089 1.00 0.00 O ATOM 652 CB SER A 42 16.680 -14.609 -2.958 1.00 0.00 C ATOM 653 OG SER A 42 16.949 -14.760 -1.571 1.00 0.00 O ATOM 0 H SER A 42 14.511 -15.273 -1.961 1.00 0.00 H new ATOM 0 HA SER A 42 15.566 -12.773 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.590 -15.589 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.513 -14.100 -3.443 1.00 0.00 H new ATOM 0 HG SER A 42 17.775 -15.273 -1.452 1.00 0.00 H new ATOM 659 N ILE A 43 15.522 -12.865 -5.418 1.00 0.00 N ATOM 660 CA ILE A 43 15.258 -12.803 -6.847 1.00 0.00 C ATOM 661 C ILE A 43 16.555 -12.950 -7.621 1.00 0.00 C ATOM 662 O ILE A 43 17.604 -12.524 -7.180 1.00 0.00 O ATOM 663 CB ILE A 43 14.500 -11.497 -7.278 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.304 -10.228 -6.920 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.100 -11.437 -6.685 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.690 -8.939 -7.477 1.00 0.00 C ATOM 0 H ILE A 43 16.153 -12.142 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 43 14.594 -13.634 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 43 14.399 -11.533 -8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.377 -10.147 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.320 -10.331 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.608 -10.519 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.523 -12.297 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.165 -11.452 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.306 -8.088 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.642 -8.999 -8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.684 -8.812 -7.076 1.00 0.00 H new ATOM 678 N ILE A 44 16.440 -13.603 -8.767 1.00 0.00 N ATOM 679 CA ILE A 44 17.578 -14.015 -9.602 1.00 0.00 C ATOM 680 C ILE A 44 17.258 -13.707 -11.103 1.00 0.00 C ATOM 681 O ILE A 44 16.099 -13.813 -11.478 1.00 0.00 O ATOM 682 CB ILE A 44 17.866 -15.545 -9.385 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.736 -15.915 -7.906 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.249 -15.837 -9.783 1.00 0.00 C ATOM 685 CD1 ILE A 44 16.500 -16.718 -7.548 1.00 0.00 C ATOM 0 H ILE A 44 15.537 -13.871 -9.159 1.00 0.00 H new ATOM 0 HA ILE A 44 18.471 -13.458 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 44 17.149 -16.112 -9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.618 -16.484 -7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.737 -14.998 -7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.454 -16.897 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.386 -15.585 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.935 -15.246 -9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.501 -16.930 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.608 -16.146 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.502 -17.656 -8.103 1.00 0.00 H new ATOM 697 N CYS A 45 18.264 -13.294 -11.957 1.00 0.00 N ATOM 698 CA CYS A 45 17.936 -12.850 -13.380 1.00 0.00 C ATOM 699 C CYS A 45 17.434 -14.052 -14.272 1.00 0.00 C ATOM 700 O CYS A 45 17.750 -14.133 -15.461 1.00 0.00 O ATOM 701 CB CYS A 45 19.145 -12.297 -14.188 1.00 0.00 C ATOM 702 SG CYS A 45 20.571 -11.461 -13.407 1.00 0.00 S ATOM 0 H CYS A 45 19.253 -13.257 -11.711 1.00 0.00 H new ATOM 0 HA CYS A 45 17.187 -12.076 -13.211 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.551 -13.138 -14.751 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.736 -11.595 -14.914 1.00 0.00 H new ATOM 707 N LEU A 46 16.691 -14.944 -13.698 1.00 0.00 N ATOM 708 CA LEU A 46 16.361 -16.210 -14.334 1.00 0.00 C ATOM 709 C LEU A 46 15.517 -16.083 -15.602 1.00 0.00 C ATOM 710 O LEU A 46 15.756 -16.777 -16.598 1.00 0.00 O ATOM 711 CB LEU A 46 15.658 -17.136 -13.372 1.00 0.00 C ATOM 712 CG LEU A 46 16.483 -17.588 -12.204 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.716 -18.532 -11.304 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.827 -18.138 -12.593 1.00 0.00 C ATOM 0 H LEU A 46 16.286 -14.828 -12.769 1.00 0.00 H new ATOM 0 HA LEU A 46 17.324 -16.624 -14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.767 -16.634 -12.995 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.320 -18.016 -13.920 1.00 0.00 H new ATOM 0 HG LEU A 46 16.696 -16.689 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.350 -18.835 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.829 -18.029 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.417 -19.413 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.368 -18.445 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.692 -18.999 -13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.397 -17.370 -13.116 1.00 0.00 H new ATOM 726 N LYS A 47 14.532 -15.206 -15.564 1.00 0.00 N ATOM 727 CA LYS A 47 13.597 -15.104 -16.675 1.00 0.00 C ATOM 728 C LYS A 47 13.769 -13.826 -17.435 1.00 0.00 C ATOM 729 O LYS A 47 13.697 -12.729 -16.866 1.00 0.00 O ATOM 730 CB LYS A 47 12.162 -15.246 -16.173 1.00 0.00 C ATOM 731 CG LYS A 47 11.103 -15.134 -17.249 1.00 0.00 C ATOM 732 CD LYS A 47 11.394 -16.133 -18.353 1.00 0.00 C ATOM 733 CE LYS A 47 11.408 -17.559 -17.831 1.00 0.00 C ATOM 734 NZ LYS A 47 11.588 -18.559 -18.895 1.00 0.00 N ATOM 0 H LYS A 47 14.357 -14.563 -14.792 1.00 0.00 H new ATOM 0 HA LYS A 47 13.813 -15.920 -17.365 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.058 -16.212 -15.679 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.977 -14.481 -15.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.117 -15.322 -16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.087 -14.122 -17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.641 -16.040 -19.136 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.357 -15.902 -18.808 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.210 -17.665 -17.101 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.473 -17.758 -17.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.589 -19.512 -18.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.809 -18.481 -19.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.493 -18.391 -19.379 1.00 0.00 H new ATOM 748 N ASN A 48 14.003 -13.983 -18.734 1.00 0.00 N ATOM 749 CA ASN A 48 14.193 -12.879 -19.677 1.00 0.00 C ATOM 750 C ASN A 48 15.329 -11.998 -19.190 1.00 0.00 C ATOM 751 O ASN A 48 15.344 -10.800 -19.434 1.00 0.00 O ATOM 752 CB ASN A 48 12.888 -12.048 -19.826 1.00 0.00 C ATOM 753 CG ASN A 48 11.776 -12.763 -20.600 1.00 0.00 C ATOM 754 OD1 ASN A 48 12.147 -13.603 -21.566 1.00 0.00 O flip ATOM 755 ND2 ASN A 48 10.581 -12.530 -20.354 1.00 0.00 N flip ATOM 0 H ASN A 48 14.068 -14.901 -19.173 1.00 0.00 H new ATOM 0 HA ASN A 48 14.442 -13.286 -20.657 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.518 -11.792 -18.833 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.122 -11.111 -20.331 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.331 -11.881 -19.607 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.850 -12.987 -20.899 1.00 0.00 H new ATOM 762 N SER A 49 16.319 -12.628 -18.548 1.00 0.00 N ATOM 763 CA SER A 49 17.476 -11.918 -17.999 1.00 0.00 C ATOM 764 C SER A 49 17.018 -10.816 -17.032 1.00 0.00 C ATOM 765 O SER A 49 17.756 -9.879 -16.742 1.00 0.00 O ATOM 766 CB SER A 49 18.314 -11.317 -19.130 1.00 0.00 C ATOM 767 OG SER A 49 18.386 -12.225 -20.221 1.00 0.00 O ATOM 0 H SER A 49 16.340 -13.636 -18.396 1.00 0.00 H new ATOM 0 HA SER A 49 18.091 -12.629 -17.448 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.873 -10.376 -19.459 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.317 -11.090 -18.769 1.00 0.00 H new ATOM 0 HG SER A 49 18.923 -11.831 -20.940 1.00 0.00 H new ATOM 773 N VAL A 50 15.806 -10.970 -16.502 1.00 0.00 N ATOM 774 CA VAL A 50 15.262 -10.002 -15.591 1.00 0.00 C ATOM 775 C VAL A 50 15.316 -10.551 -14.195 1.00 0.00 C ATOM 776 O VAL A 50 16.385 -10.577 -13.618 1.00 0.00 O ATOM 777 CB VAL A 50 13.811 -9.554 -15.962 1.00 0.00 C ATOM 778 CG1 VAL A 50 13.328 -8.449 -15.036 1.00 0.00 C ATOM 779 CG2 VAL A 50 13.726 -9.095 -17.409 1.00 0.00 C ATOM 0 H VAL A 50 15.192 -11.761 -16.697 1.00 0.00 H new ATOM 0 HA VAL A 50 15.875 -9.103 -15.661 1.00 0.00 H new ATOM 0 HB VAL A 50 13.163 -10.421 -15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.316 -8.156 -15.316 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.330 -8.810 -14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.991 -7.588 -15.120 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.704 -8.790 -17.635 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.399 -8.251 -17.563 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.014 -9.914 -18.068 1.00 0.00 H new ATOM 789 N TRP A 51 14.180 -11.032 -13.640 1.00 0.00 N ATOM 790 CA TRP A 51 14.183 -11.584 -12.276 1.00 0.00 C ATOM 791 C TRP A 51 13.131 -12.696 -12.104 1.00 0.00 C ATOM 792 O TRP A 51 12.175 -12.776 -12.856 1.00 0.00 O ATOM 793 CB TRP A 51 14.015 -10.478 -11.232 1.00 0.00 C ATOM 794 CG TRP A 51 15.179 -9.507 -11.240 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.270 -8.336 -11.935 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.415 -9.630 -10.538 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.515 -7.755 -11.738 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.210 -8.515 -10.860 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.919 -10.564 -9.678 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.485 -8.337 -10.331 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.171 -10.391 -9.160 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.941 -9.286 -9.483 1.00 0.00 C ATOM 0 H TRP A 51 13.273 -11.048 -14.106 1.00 0.00 H new ATOM 0 HA TRP A 51 15.157 -12.045 -12.113 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.089 -9.936 -11.424 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.923 -10.925 -10.242 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.485 -7.921 -12.550 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.850 -6.899 -12.181 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.333 -11.431 -9.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.085 -7.476 -10.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.569 -11.133 -8.483 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.924 -9.180 -9.049 1.00 0.00 H new ATOM 813 N THR A 52 13.343 -13.544 -11.109 1.00 0.00 N ATOM 814 CA THR A 52 12.501 -14.712 -10.830 1.00 0.00 C ATOM 815 C THR A 52 11.074 -14.364 -10.438 1.00 0.00 C ATOM 816 O THR A 52 10.133 -14.994 -10.888 1.00 0.00 O ATOM 817 CB THR A 52 13.113 -15.454 -9.663 1.00 0.00 C ATOM 818 OG1 THR A 52 13.256 -14.556 -8.530 1.00 0.00 O ATOM 819 CG2 THR A 52 14.443 -15.896 -10.058 1.00 0.00 C ATOM 0 H THR A 52 14.120 -13.443 -10.456 1.00 0.00 H new ATOM 0 HA THR A 52 12.457 -15.297 -11.749 1.00 0.00 H new ATOM 0 HB THR A 52 12.478 -16.296 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.196 -15.068 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.907 -16.435 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.366 -16.554 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.053 -15.030 -10.314 1.00 0.00 H new ATOM 827 N GLY A 53 10.929 -13.361 -9.617 1.00 0.00 N ATOM 828 CA GLY A 53 9.625 -13.004 -9.135 1.00 0.00 C ATOM 829 C GLY A 53 9.630 -11.737 -8.350 1.00 0.00 C ATOM 830 O GLY A 53 9.268 -11.727 -7.172 1.00 0.00 O ATOM 0 H GLY A 53 11.692 -12.780 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.945 -12.900 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.238 -13.811 -8.513 1.00 0.00 H new ATOM 834 N ALA A 54 10.070 -10.654 -8.978 1.00 0.00 N ATOM 835 CA ALA A 54 10.031 -9.336 -8.326 1.00 0.00 C ATOM 836 C ALA A 54 8.578 -8.856 -8.272 1.00 0.00 C ATOM 837 O ALA A 54 8.235 -7.890 -7.589 1.00 0.00 O ATOM 838 CB ALA A 54 10.910 -8.331 -9.082 1.00 0.00 C ATOM 0 H ALA A 54 10.454 -10.652 -9.923 1.00 0.00 H new ATOM 0 HA ALA A 54 10.424 -9.418 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.867 -7.363 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.940 -8.687 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.548 -8.229 -10.105 1.00 0.00 H new ATOM 844 N LYS A 55 7.753 -9.547 -9.049 1.00 0.00 N ATOM 845 CA LYS A 55 6.352 -9.295 -9.185 1.00 0.00 C ATOM 846 C LYS A 55 5.482 -9.942 -8.108 1.00 0.00 C ATOM 847 O LYS A 55 5.681 -11.098 -7.759 1.00 0.00 O ATOM 848 CB LYS A 55 5.882 -9.781 -10.494 1.00 0.00 C ATOM 849 CG LYS A 55 4.438 -9.548 -10.662 1.00 0.00 C ATOM 850 CD LYS A 55 3.936 -10.032 -11.954 1.00 0.00 C ATOM 851 CE LYS A 55 2.498 -9.724 -12.001 1.00 0.00 C ATOM 852 NZ LYS A 55 1.878 -10.173 -13.268 1.00 0.00 N ATOM 0 H LYS A 55 8.071 -10.330 -9.620 1.00 0.00 H new ATOM 0 HA LYS A 55 6.246 -8.215 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.429 -9.276 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.094 -10.846 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.897 -10.045 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.233 -8.481 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.461 -9.548 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.104 -11.104 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.996 -10.205 -11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.353 -8.650 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.865 -9.937 -13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.339 -9.696 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.994 -11.202 -13.365 1.00 0.00 H new ATOM 866 N ASP A 56 4.498 -9.178 -7.609 1.00 0.00 N ATOM 867 CA ASP A 56 3.481 -9.717 -6.699 1.00 0.00 C ATOM 868 C ASP A 56 4.121 -10.250 -5.451 1.00 0.00 C ATOM 869 O ASP A 56 3.706 -11.269 -4.879 1.00 0.00 O ATOM 870 CB ASP A 56 2.624 -10.801 -7.400 1.00 0.00 C ATOM 871 CG ASP A 56 1.678 -10.236 -8.430 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.464 -9.013 -8.428 1.00 0.00 O ATOM 873 OD2 ASP A 56 1.138 -11.017 -9.247 1.00 0.00 O ATOM 0 H ASP A 56 4.387 -8.187 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 56 2.812 -8.905 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.285 -11.523 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.051 -11.344 -6.649 1.00 0.00 H new ATOM 878 N ARG A 57 5.143 -9.551 -5.039 1.00 0.00 N ATOM 879 CA ARG A 57 5.936 -9.937 -3.892 1.00 0.00 C ATOM 880 C ARG A 57 5.149 -9.994 -2.602 1.00 0.00 C ATOM 881 O ARG A 57 5.303 -10.917 -1.809 1.00 0.00 O ATOM 882 CB ARG A 57 7.068 -8.942 -3.692 1.00 0.00 C ATOM 883 CG ARG A 57 8.150 -8.970 -4.725 1.00 0.00 C ATOM 884 CD ARG A 57 8.845 -10.277 -4.605 1.00 0.00 C ATOM 885 NE ARG A 57 9.255 -10.488 -3.229 1.00 0.00 N ATOM 886 CZ ARG A 57 9.079 -11.641 -2.601 1.00 0.00 C ATOM 887 NH1 ARG A 57 8.892 -12.759 -3.298 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.128 -11.683 -1.293 1.00 0.00 N ATOM 0 H ARG A 57 5.455 -8.691 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 57 6.304 -10.940 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.644 -7.938 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.518 -9.124 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.730 -8.849 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.849 -8.148 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.184 -11.082 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.715 -10.299 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 57 9.696 -9.718 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.884 -12.729 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.757 -13.646 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.301 -10.830 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.993 -12.569 -0.806 1.00 0.00 H new ATOM 902 N CYS A 58 4.331 -9.023 -2.398 1.00 0.00 N ATOM 903 CA CYS A 58 3.570 -8.939 -1.199 1.00 0.00 C ATOM 904 C CYS A 58 2.165 -8.453 -1.483 1.00 0.00 C ATOM 905 O CYS A 58 1.930 -7.780 -2.477 1.00 0.00 O ATOM 906 CB CYS A 58 4.326 -8.139 -0.140 1.00 0.00 C ATOM 907 SG CYS A 58 5.414 -9.197 0.909 1.00 0.00 S ATOM 0 H CYS A 58 4.169 -8.262 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 58 3.441 -9.934 -0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.931 -7.376 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.610 -7.618 0.496 1.00 0.00 H new ATOM 912 N ARG A 59 1.227 -8.805 -0.621 1.00 0.00 N ATOM 913 CA ARG A 59 -0.179 -8.604 -0.919 1.00 0.00 C ATOM 914 C ARG A 59 -0.875 -7.870 0.233 1.00 0.00 C ATOM 915 O ARG A 59 -0.654 -8.189 1.388 1.00 0.00 O ATOM 916 CB ARG A 59 -0.723 -10.023 -1.106 1.00 0.00 C ATOM 917 CG ARG A 59 -0.133 -10.678 -2.369 1.00 0.00 C ATOM 918 CD ARG A 59 -0.537 -12.102 -2.548 1.00 0.00 C ATOM 919 NE ARG A 59 0.034 -12.659 -3.792 1.00 0.00 N ATOM 920 CZ ARG A 59 0.130 -13.954 -4.090 1.00 0.00 C ATOM 921 NH1 ARG A 59 -0.260 -14.873 -3.218 1.00 0.00 N ATOM 922 NH2 ARG A 59 0.618 -14.325 -5.265 1.00 0.00 N ATOM 0 H ARG A 59 1.413 -9.230 0.287 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.347 -7.985 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.481 -10.627 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.810 -9.993 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.446 -10.108 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.955 -10.621 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.201 -12.690 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.624 -12.175 -2.577 1.00 0.00 H new ATOM 0 HE ARG A 59 0.385 -11.995 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.636 -14.590 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.184 -15.863 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.919 -13.620 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.693 -15.316 -5.496 1.00 0.00 H new ATOM 936 N ARG A 60 -1.743 -6.926 -0.113 1.00 0.00 N ATOM 937 CA ARG A 60 -2.454 -6.063 0.840 1.00 0.00 C ATOM 938 C ARG A 60 -3.891 -6.551 1.103 1.00 0.00 C ATOM 939 O ARG A 60 -4.406 -7.421 0.394 1.00 0.00 O ATOM 940 CB ARG A 60 -2.500 -4.633 0.277 1.00 0.00 C ATOM 941 CG ARG A 60 -3.231 -4.582 -1.052 1.00 0.00 C ATOM 942 CD ARG A 60 -3.336 -3.183 -1.642 1.00 0.00 C ATOM 943 NE ARG A 60 -4.073 -3.196 -2.917 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.502 -3.326 -4.133 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.179 -3.231 -4.273 1.00 0.00 N ATOM 946 NH2 ARG A 60 -4.262 -3.513 -5.202 1.00 0.00 N ATOM 0 H ARG A 60 -1.982 -6.730 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.916 -6.092 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.995 -3.975 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.484 -4.258 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.718 -5.229 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.234 -4.987 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.840 -2.524 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.337 -2.777 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.088 -3.100 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.591 -3.059 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.755 -3.330 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.276 -3.558 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.833 -3.611 -6.122 1.00 0.00 H new ATOM 960 N LYS A 61 -4.511 -6.005 2.142 1.00 0.00 N ATOM 961 CA LYS A 61 -5.871 -6.319 2.470 1.00 0.00 C ATOM 962 C LYS A 61 -6.802 -5.277 1.869 1.00 0.00 C ATOM 963 O LYS A 61 -6.359 -4.356 1.207 1.00 0.00 O ATOM 964 CB LYS A 61 -6.079 -6.457 3.992 1.00 0.00 C ATOM 965 CG LYS A 61 -6.863 -7.713 4.409 1.00 0.00 C ATOM 966 CD LYS A 61 -8.295 -7.658 3.902 1.00 0.00 C ATOM 967 CE LYS A 61 -9.091 -8.856 4.284 1.00 0.00 C ATOM 968 NZ LYS A 61 -10.515 -8.781 3.812 1.00 0.00 N ATOM 0 H LYS A 61 -4.074 -5.333 2.773 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.111 -7.290 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.105 -6.471 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.606 -5.575 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.369 -8.601 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.862 -7.802 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.780 -6.765 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.287 -7.564 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.621 -9.747 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.077 -8.965 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.023 -9.640 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.975 -7.947 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.533 -8.704 2.775 1.00 0.00 H new ATOM 982 N SER A 62 -8.073 -5.414 2.142 1.00 0.00 N ATOM 983 CA SER A 62 -9.098 -4.650 1.537 1.00 0.00 C ATOM 984 C SER A 62 -9.955 -4.009 2.607 1.00 0.00 C ATOM 985 O SER A 62 -10.127 -4.545 3.706 1.00 0.00 O ATOM 986 CB SER A 62 -9.936 -5.589 0.671 1.00 0.00 C ATOM 987 OG SER A 62 -9.194 -6.015 -0.458 1.00 0.00 O ATOM 0 H SER A 62 -8.422 -6.091 2.820 1.00 0.00 H new ATOM 0 HA SER A 62 -8.675 -3.857 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.247 -6.454 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.844 -5.081 0.346 1.00 0.00 H new ATOM 0 HG SER A 62 -9.069 -5.261 -1.071 1.00 0.00 H new ATOM 993 N CYS A 63 -10.509 -2.899 2.256 1.00 0.00 N ATOM 994 CA CYS A 63 -11.186 -1.996 3.171 1.00 0.00 C ATOM 995 C CYS A 63 -12.699 -2.140 3.149 1.00 0.00 C ATOM 996 O CYS A 63 -13.264 -2.750 2.259 1.00 0.00 O ATOM 997 CB CYS A 63 -10.733 -0.579 2.806 1.00 0.00 C ATOM 998 SG CYS A 63 -9.047 -0.265 3.390 1.00 0.00 S ATOM 0 H CYS A 63 -10.512 -2.568 1.291 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.914 -2.239 4.198 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.778 -0.446 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.415 0.149 3.245 1.00 0.00 H new ATOM 1003 N ARG A 64 -13.334 -1.623 4.188 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.782 -1.661 4.308 1.00 0.00 C ATOM 1005 C ARG A 64 -15.246 -0.337 4.905 1.00 0.00 C ATOM 1006 O ARG A 64 -14.470 0.329 5.590 1.00 0.00 O ATOM 1007 CB ARG A 64 -15.228 -2.798 5.240 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.829 -2.586 6.706 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.358 -2.895 6.967 1.00 0.00 C ATOM 1010 NE ARG A 64 -13.060 -4.315 6.815 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.831 -4.829 6.836 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.778 -4.032 6.813 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.644 -6.145 6.853 1.00 0.00 N ATOM 0 H ARG A 64 -12.862 -1.167 4.969 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.215 -1.827 3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.311 -2.902 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.797 -3.735 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.035 -1.554 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.447 -3.220 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.739 -2.320 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.094 -2.576 7.975 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.843 -4.956 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.905 -3.020 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.838 -4.428 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.447 -6.774 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.698 -6.525 6.869 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.478 0.070 4.641 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.982 1.291 5.248 1.00 0.00 C ATOM 1029 C ASN A 65 -18.434 1.196 5.792 1.00 0.00 C ATOM 1030 O ASN A 65 -19.072 2.227 5.935 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.886 2.441 4.280 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.592 3.783 4.956 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.095 4.815 4.547 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.757 3.773 5.996 1.00 0.00 N ATOM 0 H ASN A 65 -17.133 -0.413 4.026 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.342 1.459 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.102 2.230 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.822 2.519 3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.524 4.645 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.351 2.894 6.316 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.988 -0.022 6.132 1.00 0.00 N ATOM 1042 CA PRO A 66 -20.310 -0.114 6.755 1.00 0.00 C ATOM 1043 C PRO A 66 -20.525 0.803 7.995 1.00 0.00 C ATOM 1044 O PRO A 66 -21.658 1.183 8.252 1.00 0.00 O ATOM 1045 CB PRO A 66 -20.445 -1.596 7.142 1.00 0.00 C ATOM 1046 CG PRO A 66 -19.114 -2.212 6.891 1.00 0.00 C ATOM 1047 CD PRO A 66 -18.447 -1.364 5.874 1.00 0.00 C ATOM 0 HA PRO A 66 -21.070 0.236 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.732 -1.701 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -21.218 -2.085 6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.526 -2.254 7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.221 -3.236 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.363 -1.386 5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.673 -1.699 4.862 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.451 1.174 8.821 1.00 0.00 N ATOM 1056 CA PRO A 67 -19.678 2.067 9.963 1.00 0.00 C ATOM 1057 C PRO A 67 -20.235 3.416 9.495 1.00 0.00 C ATOM 1058 O PRO A 67 -21.032 4.031 10.206 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.254 2.314 10.517 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.302 1.636 9.569 1.00 0.00 C ATOM 1061 CD PRO A 67 -18.091 0.624 8.818 1.00 0.00 C ATOM 0 HA PRO A 67 -20.380 1.641 10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.043 3.381 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.154 1.908 11.524 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.854 2.360 8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.485 1.163 10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.714 0.494 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.053 -0.353 9.300 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.841 3.811 8.252 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.344 5.004 7.537 1.00 0.00 C ATOM 1071 C ASP A 68 -20.332 6.327 8.366 1.00 0.00 C ATOM 1072 O ASP A 68 -20.117 6.330 9.575 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.733 4.676 6.880 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.888 5.598 7.259 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.441 5.443 8.381 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.282 6.452 6.411 1.00 0.00 O ATOM 0 H ASP A 68 -19.148 3.292 7.713 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.631 5.228 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -21.615 4.701 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.007 3.655 7.147 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.445 7.485 7.684 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.600 8.764 8.356 1.00 0.00 C ATOM 1083 C PRO A 69 -21.892 8.762 9.150 1.00 0.00 C ATOM 1084 O PRO A 69 -22.878 8.187 8.723 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.681 9.789 7.202 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.164 9.077 6.003 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.404 7.619 6.225 1.00 0.00 C ATOM 0 HA PRO A 69 -19.791 8.986 9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.706 10.126 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.084 10.674 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.673 9.419 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.101 9.276 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.339 7.294 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.609 7.013 5.791 1.00 0.00 H new ATOM 1095 N VAL A 70 -21.916 9.421 10.278 1.00 0.00 N ATOM 1096 CA VAL A 70 -23.109 9.373 11.102 1.00 0.00 C ATOM 1097 C VAL A 70 -24.293 9.971 10.333 1.00 0.00 C ATOM 1098 O VAL A 70 -25.384 9.404 10.325 1.00 0.00 O ATOM 1099 CB VAL A 70 -22.891 10.153 12.426 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.165 10.256 13.223 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -21.774 9.519 13.257 1.00 0.00 C ATOM 0 H VAL A 70 -21.150 9.985 10.646 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.323 8.332 11.345 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.585 11.166 12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.975 10.808 14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.920 10.778 12.636 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -24.523 9.256 13.467 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.641 10.084 14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -22.039 8.489 13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -20.845 9.531 12.687 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.079 11.108 9.695 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.118 11.686 8.837 1.00 0.00 C ATOM 1113 C ASN A 71 -25.399 10.788 7.638 1.00 0.00 C ATOM 1114 O ASN A 71 -26.553 10.623 7.225 1.00 0.00 O ATOM 1115 CB ASN A 71 -24.768 13.099 8.380 1.00 0.00 C ATOM 1116 CG ASN A 71 -24.859 14.109 9.509 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -24.273 15.248 9.310 1.00 0.00 O flip ATOM 1118 ND2 ASN A 71 -25.488 13.871 10.534 1.00 0.00 N flip ATOM 0 H ASN A 71 -23.215 11.647 9.747 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.024 11.755 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -23.758 13.106 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.441 13.395 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.937 12.964 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.562 14.580 11.263 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.333 10.208 7.068 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.489 9.321 5.934 1.00 0.00 C ATOM 1127 C GLY A 72 -24.000 9.906 4.613 1.00 0.00 C ATOM 1128 O GLY A 72 -24.677 9.777 3.588 1.00 0.00 O ATOM 0 H GLY A 72 -23.370 10.342 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.947 8.397 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.542 9.058 5.835 1.00 0.00 H new ATOM 1132 N MET A 73 -22.856 10.592 4.639 1.00 0.00 N ATOM 1133 CA MET A 73 -22.279 11.182 3.402 1.00 0.00 C ATOM 1134 C MET A 73 -20.772 10.864 3.241 1.00 0.00 C ATOM 1135 O MET A 73 -19.910 11.597 3.759 1.00 0.00 O ATOM 1136 CB MET A 73 -22.475 12.692 3.398 1.00 0.00 C ATOM 1137 CG MET A 73 -23.904 13.159 3.289 1.00 0.00 C ATOM 1138 SD MET A 73 -24.007 14.967 3.300 1.00 0.00 S ATOM 1139 CE MET A 73 -25.769 15.213 3.471 1.00 0.00 C ATOM 0 H MET A 73 -22.308 10.758 5.483 1.00 0.00 H new ATOM 0 HA MET A 73 -22.807 10.731 2.562 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.047 13.099 4.314 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.909 13.112 2.567 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.346 12.773 2.371 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.485 12.754 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.987 16.281 3.493 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.284 14.755 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.112 14.754 4.398 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.468 9.773 2.571 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.077 9.406 2.263 1.00 0.00 C ATOM 1151 C VAL A 74 -18.909 9.113 0.758 1.00 0.00 C ATOM 1152 O VAL A 74 -19.768 8.498 0.131 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.582 8.189 3.100 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.386 6.953 2.766 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.105 7.926 2.878 1.00 0.00 C ATOM 0 H VAL A 74 -21.162 9.112 2.221 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.461 10.263 2.535 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.727 8.433 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.026 6.113 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.438 7.132 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.275 6.722 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.794 7.070 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.928 7.714 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.531 8.804 3.173 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.826 9.621 0.190 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.497 9.440 -1.259 1.00 0.00 C ATOM 1167 C HIS A 75 -16.292 8.527 -1.373 1.00 0.00 C ATOM 1168 O HIS A 75 -15.310 8.730 -0.664 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.146 10.812 -1.867 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.284 11.796 -1.910 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.976 12.123 -3.062 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -18.859 12.506 -0.920 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.920 13.005 -2.764 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.863 13.248 -1.473 1.00 0.00 N ATOM 0 H HIS A 75 -17.137 10.173 0.700 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.347 9.007 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.329 11.249 -1.293 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.778 10.660 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.577 12.491 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.616 13.448 -3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.472 13.889 -0.965 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.341 7.532 -2.266 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.216 6.601 -2.407 1.00 0.00 C ATOM 1184 C VAL A 76 -14.415 6.903 -3.692 1.00 0.00 C ATOM 1185 O VAL A 76 -14.895 6.711 -4.791 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.755 5.134 -2.458 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.549 4.810 -1.206 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -16.617 4.887 -3.690 1.00 0.00 C ATOM 0 H VAL A 76 -17.128 7.353 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.554 6.721 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.887 4.478 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.915 3.785 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.909 4.919 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.395 5.493 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.971 3.856 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.471 5.564 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.026 5.064 -4.589 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.228 7.489 -3.538 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.377 7.769 -4.701 1.00 0.00 C ATOM 1200 C ILE A 77 -11.894 6.486 -5.392 1.00 0.00 C ATOM 1201 O ILE A 77 -11.952 6.336 -6.613 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.119 8.545 -4.258 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.480 9.949 -3.768 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.101 8.622 -5.401 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.311 10.634 -3.090 1.00 0.00 C ATOM 0 H ILE A 77 -12.837 7.775 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.985 8.348 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.668 8.003 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.813 10.553 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.316 9.886 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.221 9.173 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.808 7.614 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.549 9.133 -6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.614 11.627 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.994 10.045 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.483 10.723 -3.794 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.456 5.547 -4.564 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.830 4.301 -5.053 1.00 0.00 C ATOM 1219 C LYS A 78 -11.763 3.093 -5.069 1.00 0.00 C ATOM 1220 O LYS A 78 -11.419 2.042 -5.580 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.561 3.990 -4.281 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.480 5.078 -4.415 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.976 5.202 -5.850 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.914 6.280 -5.967 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.363 6.401 -7.355 1.00 0.00 N ATOM 0 H LYS A 78 -11.517 5.614 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.580 4.494 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.808 3.862 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.155 3.041 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.885 6.036 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.645 4.844 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.566 4.247 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.810 5.436 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.339 7.237 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.101 6.060 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.643 7.151 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.932 5.498 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.132 6.639 -8.014 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.940 3.258 -4.494 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.885 2.166 -4.381 1.00 0.00 C ATOM 1241 C GLY A 79 -13.715 1.342 -3.100 1.00 0.00 C ATOM 1242 O GLY A 79 -14.264 0.258 -3.001 1.00 0.00 O ATOM 0 H GLY A 79 -13.264 4.140 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.898 2.567 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.774 1.509 -5.244 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.883 1.829 -2.161 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.723 1.171 -0.832 1.00 0.00 C ATOM 1248 C ILE A 80 -11.591 0.114 -0.814 1.00 0.00 C ATOM 1249 O ILE A 80 -11.837 -1.079 -0.958 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.073 0.600 -0.257 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.090 1.733 -0.065 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.848 -0.092 1.061 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.636 2.775 0.937 1.00 0.00 C ATOM 0 H ILE A 80 -12.313 2.666 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.415 1.967 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.461 -0.124 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.273 2.216 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -16.039 1.310 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.796 -0.477 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.150 -0.918 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.435 0.617 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.398 3.549 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.480 2.303 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.702 3.224 0.598 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.351 0.570 -0.680 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.171 -0.336 -0.683 1.00 0.00 C ATOM 1267 C GLN A 81 -8.015 0.250 0.173 1.00 0.00 C ATOM 1268 O GLN A 81 -8.076 1.388 0.596 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.698 -0.574 -2.118 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.546 -1.557 -2.266 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.916 -2.964 -1.854 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -9.027 -3.426 -2.079 1.00 0.00 O ATOM 1273 NE2 GLN A 81 -6.996 -3.638 -1.240 1.00 0.00 N ATOM 0 H GLN A 81 -10.120 1.557 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.469 -1.287 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.541 -0.936 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.397 0.381 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.212 -1.564 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.705 -1.216 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.082 -3.217 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.185 -4.590 -0.925 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.988 -0.550 0.453 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.807 -0.045 1.157 1.00 0.00 C ATOM 1284 C PHE A 82 -5.112 1.019 0.314 1.00 0.00 C ATOM 1285 O PHE A 82 -4.844 0.814 -0.863 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.847 -1.211 1.427 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.490 -0.769 1.925 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.351 0.010 3.069 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.335 -1.132 1.220 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.094 0.427 3.489 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.077 -0.721 1.643 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.955 0.057 2.774 1.00 0.00 C ATOM 0 H PHE A 82 -6.947 -1.539 0.207 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.110 0.404 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.296 -1.878 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.719 -1.787 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.226 0.293 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.424 -1.742 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.998 1.040 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.197 -1.010 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.021 0.380 3.106 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.840 2.152 0.937 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.215 3.247 0.242 1.00 0.00 C ATOM 1304 C GLY A 83 -5.236 4.210 -0.359 1.00 0.00 C ATOM 1305 O GLY A 83 -4.865 5.233 -0.934 1.00 0.00 O ATOM 0 H GLY A 83 -5.044 2.331 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.568 3.790 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.578 2.855 -0.551 1.00 0.00 H new ATOM 1309 N SER A 84 -6.532 3.867 -0.236 1.00 0.00 N ATOM 1310 CA SER A 84 -7.601 4.715 -0.740 1.00 0.00 C ATOM 1311 C SER A 84 -7.920 5.848 0.182 1.00 0.00 C ATOM 1312 O SER A 84 -7.609 5.805 1.387 1.00 0.00 O ATOM 1313 CB SER A 84 -8.860 3.937 -1.033 1.00 0.00 C ATOM 1314 OG SER A 84 -9.458 3.417 0.133 1.00 0.00 O ATOM 0 H SER A 84 -6.852 3.007 0.209 1.00 0.00 H new ATOM 0 HA SER A 84 -7.221 5.129 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.572 4.584 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.627 3.118 -1.714 1.00 0.00 H new ATOM 0 HG SER A 84 -8.782 2.949 0.667 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.589 6.835 -0.369 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.039 7.962 0.379 1.00 0.00 C ATOM 1322 C GLN A 85 -10.513 8.230 0.081 1.00 0.00 C ATOM 1323 O GLN A 85 -10.977 8.074 -1.060 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.189 9.183 0.075 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.669 10.419 0.792 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.780 11.618 0.557 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.602 11.485 0.220 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.338 12.782 0.675 1.00 0.00 N ATOM 0 H GLN A 85 -8.833 6.868 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.936 7.744 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.156 8.981 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.194 9.366 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.681 10.654 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.721 10.215 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.316 12.853 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.799 13.627 0.487 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.237 8.554 1.106 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.662 8.818 1.019 1.00 0.00 C ATOM 1339 C ILE A 86 -13.036 10.137 1.667 1.00 0.00 C ATOM 1340 O ILE A 86 -12.289 10.647 2.478 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.455 7.680 1.629 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.059 7.506 3.085 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.285 6.395 0.836 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.874 6.498 3.817 1.00 0.00 C ATOM 0 H ILE A 86 -10.860 8.647 2.049 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.913 8.893 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.516 7.928 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.010 7.214 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.147 8.467 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.867 5.600 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.633 6.549 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.232 6.113 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.530 6.432 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.922 6.797 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.768 5.526 3.336 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.197 10.684 1.325 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.612 11.976 1.894 1.00 0.00 C ATOM 1358 C LYS A 87 -15.784 11.812 2.812 1.00 0.00 C ATOM 1359 O LYS A 87 -16.681 11.028 2.540 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.973 12.983 0.795 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.786 13.774 0.234 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.771 12.905 -0.507 1.00 0.00 C ATOM 1363 CE LYS A 87 -13.321 12.392 -1.830 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.780 13.140 -2.989 1.00 0.00 N ATOM 0 H LYS A 87 -14.861 10.269 0.671 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.762 12.358 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.455 12.449 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.705 13.686 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.159 14.542 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.283 14.289 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.864 13.482 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.490 12.060 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.078 11.335 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.408 12.471 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.787 12.529 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.368 13.979 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.805 13.438 -2.785 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.763 12.574 3.869 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.791 12.594 4.876 1.00 0.00 C ATOM 1380 C TYR A 88 -17.499 13.930 4.973 1.00 0.00 C ATOM 1381 O TYR A 88 -17.138 14.785 5.785 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.181 12.234 6.235 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.820 10.792 6.347 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.804 9.863 6.625 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.526 10.345 6.160 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.517 8.522 6.722 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.223 8.999 6.251 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.231 8.092 6.541 1.00 0.00 C ATOM 1389 OH TYR A 88 -14.951 6.737 6.626 1.00 0.00 O ATOM 0 H TYR A 88 -15.001 13.224 4.062 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.541 11.858 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.290 12.840 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.889 12.488 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.821 10.197 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.742 11.055 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.302 7.813 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.210 8.657 6.098 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.101 6.608 7.096 1.00 0.00 H new ATOM 1399 N SER A 89 -18.449 14.134 4.104 1.00 0.00 N ATOM 1400 CA SER A 89 -19.332 15.263 4.216 1.00 0.00 C ATOM 1401 C SER A 89 -20.464 14.976 5.239 1.00 0.00 C ATOM 1402 O SER A 89 -20.770 13.825 5.534 1.00 0.00 O ATOM 1403 CB SER A 89 -19.853 15.628 2.830 1.00 0.00 C ATOM 1404 OG SER A 89 -20.366 14.491 2.149 1.00 0.00 O ATOM 0 H SER A 89 -18.633 13.529 3.304 1.00 0.00 H new ATOM 0 HA SER A 89 -18.792 16.127 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.635 16.382 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.049 16.072 2.243 1.00 0.00 H new ATOM 0 HG SER A 89 -20.693 14.759 1.265 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.054 16.012 5.789 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.196 15.833 6.714 1.00 0.00 C ATOM 1412 C CYS A 90 -23.480 16.475 6.203 1.00 0.00 C ATOM 1413 O CYS A 90 -24.554 15.875 6.249 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.832 16.506 8.015 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.387 15.867 8.868 1.00 0.00 S ATOM 0 H CYS A 90 -20.782 16.982 5.628 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.380 14.764 6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.671 17.566 7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.686 16.433 8.688 1.00 0.00 H new ATOM 1420 N THR A 91 -23.351 17.713 5.789 1.00 0.00 N ATOM 1421 CA THR A 91 -24.471 18.557 5.427 1.00 0.00 C ATOM 1422 C THR A 91 -24.058 19.538 4.310 1.00 0.00 C ATOM 1423 O THR A 91 -22.879 19.635 3.990 1.00 0.00 O ATOM 1424 CB THR A 91 -24.912 19.311 6.709 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.377 18.382 7.697 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.956 20.390 6.474 1.00 0.00 C ATOM 0 H THR A 91 -22.446 18.174 5.691 1.00 0.00 H new ATOM 0 HA THR A 91 -25.301 17.966 5.040 1.00 0.00 H new ATOM 0 HB THR A 91 -24.022 19.830 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.651 18.870 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.207 20.866 7.422 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.559 21.137 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.852 19.942 6.045 1.00 0.00 H new ATOM 1434 N LYS A 92 -25.005 20.231 3.693 1.00 0.00 N ATOM 1435 CA LYS A 92 -24.670 21.275 2.831 1.00 0.00 C ATOM 1436 C LYS A 92 -24.934 22.546 3.593 1.00 0.00 C ATOM 1437 O LYS A 92 -26.063 23.020 3.704 1.00 0.00 O ATOM 1438 CB LYS A 92 -25.524 21.275 1.627 1.00 0.00 C ATOM 1439 CG LYS A 92 -25.154 22.359 0.665 1.00 0.00 C ATOM 1440 CD LYS A 92 -23.809 22.086 0.060 1.00 0.00 C ATOM 1441 CE LYS A 92 -23.505 23.108 -0.982 1.00 0.00 C ATOM 1442 NZ LYS A 92 -22.189 22.891 -1.604 1.00 0.00 N ATOM 0 H LYS A 92 -26.006 20.062 3.796 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.633 21.175 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -25.445 20.309 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -26.566 21.396 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -25.906 22.428 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -25.140 23.320 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -23.042 22.104 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -23.794 21.089 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -24.277 23.082 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.534 24.101 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.019 23.624 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.448 22.941 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.168 21.954 -2.055 1.00 0.00 H new ATOM 1456 N GLY A 93 -23.906 23.079 4.075 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.978 24.282 4.878 1.00 0.00 C ATOM 1458 C GLY A 93 -23.668 23.995 6.354 1.00 0.00 C ATOM 1459 O GLY A 93 -24.427 24.353 7.240 1.00 0.00 O ATOM 0 H GLY A 93 -22.962 22.717 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.273 25.019 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.973 24.718 4.793 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.551 23.336 6.589 1.00 0.00 N ATOM 1464 CA TYR A 94 -22.133 22.863 7.923 1.00 0.00 C ATOM 1465 C TYR A 94 -20.627 22.873 7.888 1.00 0.00 C ATOM 1466 O TYR A 94 -20.058 23.115 6.826 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.542 21.417 8.167 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.548 20.421 7.607 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.326 20.305 6.249 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.747 19.682 8.467 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.356 19.460 5.753 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.765 18.847 7.974 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.576 18.741 6.618 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.609 17.907 6.133 1.00 0.00 O ATOM 0 H TYR A 94 -21.885 23.102 5.853 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.583 23.489 8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.650 21.251 9.239 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.519 21.240 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.923 20.887 5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.894 19.761 9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.212 19.366 4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.147 18.278 8.653 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.817 18.431 5.891 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.969 22.672 8.999 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.551 22.604 8.959 1.00 0.00 C ATOM 1486 C ARG A 95 -18.050 21.368 9.662 1.00 0.00 C ATOM 1487 O ARG A 95 -18.568 20.986 10.680 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.983 23.919 9.459 1.00 0.00 C ATOM 1489 CG ARG A 95 -18.404 24.343 10.856 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.719 25.641 11.121 1.00 0.00 C ATOM 1491 NE ARG A 95 -18.216 26.623 10.153 1.00 0.00 N ATOM 1492 CZ ARG A 95 -17.704 27.844 9.959 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.757 28.318 10.763 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -18.138 28.581 8.943 1.00 0.00 N ATOM 0 H ARG A 95 -20.391 22.556 9.921 1.00 0.00 H new ATOM 0 HA ARG A 95 -18.189 22.487 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -16.895 23.854 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -18.272 24.705 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -19.486 24.454 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.117 23.594 11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.918 25.976 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.639 25.528 11.028 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.017 26.354 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.414 27.749 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.374 29.250 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.856 28.215 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.753 29.513 8.788 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.045 20.706 9.091 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.589 19.489 9.691 1.00 0.00 C ATOM 1510 C LEU A 96 -15.360 19.804 10.489 1.00 0.00 C ATOM 1511 O LEU A 96 -14.339 20.262 9.970 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.215 18.462 8.657 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.912 17.098 9.236 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.137 16.573 9.868 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.422 16.168 8.206 1.00 0.00 C ATOM 0 H LEU A 96 -16.556 20.992 8.243 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.393 19.084 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.030 18.369 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.343 18.815 8.106 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.120 17.196 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.935 15.589 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.456 17.250 10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.926 16.492 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.215 15.199 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.179 16.052 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.508 16.564 7.763 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.487 19.529 11.730 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.534 19.879 12.740 1.00 0.00 C ATOM 1529 C ILE A 97 -13.153 19.157 12.581 1.00 0.00 C ATOM 1530 O ILE A 97 -12.100 19.793 12.684 1.00 0.00 O ATOM 1531 CB ILE A 97 -15.218 19.627 14.086 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.360 20.670 14.216 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -14.216 19.742 15.226 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.354 20.409 15.296 1.00 0.00 C ATOM 0 H ILE A 97 -16.295 19.029 12.100 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.255 20.929 12.652 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.627 18.618 14.138 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -15.914 21.650 14.387 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.890 20.722 13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.721 19.560 16.174 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.424 19.006 15.090 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.784 20.743 15.232 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.106 21.198 15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -17.837 19.448 15.121 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.847 20.390 16.261 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.193 17.849 12.282 1.00 0.00 N ATOM 1547 CA GLY A 98 -11.967 17.045 12.193 1.00 0.00 C ATOM 1548 C GLY A 98 -11.594 16.684 10.771 1.00 0.00 C ATOM 1549 O GLY A 98 -11.370 17.563 9.949 1.00 0.00 O ATOM 0 H GLY A 98 -14.053 17.331 12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.145 17.596 12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.097 16.130 12.771 1.00 0.00 H new ATOM 1553 N SER A 99 -11.553 15.360 10.443 1.00 0.00 N ATOM 1554 CA SER A 99 -11.085 14.991 9.133 1.00 0.00 C ATOM 1555 C SER A 99 -12.264 14.774 8.159 1.00 0.00 C ATOM 1556 O SER A 99 -13.127 13.930 8.380 1.00 0.00 O ATOM 1557 CB SER A 99 -10.300 13.679 9.207 1.00 0.00 C ATOM 1558 OG SER A 99 -9.461 13.558 8.088 1.00 0.00 O ATOM 0 H SER A 99 -11.829 14.589 11.051 1.00 0.00 H new ATOM 0 HA SER A 99 -10.454 15.804 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.707 13.651 10.121 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.989 12.835 9.248 1.00 0.00 H new ATOM 0 HG SER A 99 -9.970 13.190 7.336 1.00 0.00 H new ATOM 1564 N SER A 100 -12.252 15.550 7.083 1.00 0.00 N ATOM 1565 CA SER A 100 -13.200 15.459 6.002 1.00 0.00 C ATOM 1566 C SER A 100 -12.869 14.304 5.079 1.00 0.00 C ATOM 1567 O SER A 100 -13.647 13.966 4.208 1.00 0.00 O ATOM 1568 CB SER A 100 -13.219 16.787 5.239 1.00 0.00 C ATOM 1569 OG SER A 100 -11.923 17.081 4.717 1.00 0.00 O ATOM 0 H SER A 100 -11.555 16.282 6.943 1.00 0.00 H new ATOM 0 HA SER A 100 -14.192 15.266 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.942 16.736 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.541 17.590 5.902 1.00 0.00 H new ATOM 0 HG SER A 100 -11.951 17.931 4.231 1.00 0.00 H new ATOM 1575 N SER A 101 -11.678 13.768 5.203 1.00 0.00 N ATOM 1576 CA SER A 101 -11.311 12.615 4.431 1.00 0.00 C ATOM 1577 C SER A 101 -10.611 11.575 5.322 1.00 0.00 C ATOM 1578 O SER A 101 -9.987 11.927 6.296 1.00 0.00 O ATOM 1579 CB SER A 101 -10.438 13.038 3.248 1.00 0.00 C ATOM 1580 OG SER A 101 -11.123 13.978 2.434 1.00 0.00 O ATOM 0 H SER A 101 -10.952 14.114 5.830 1.00 0.00 H new ATOM 0 HA SER A 101 -12.209 12.144 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.508 13.474 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.169 12.163 2.656 1.00 0.00 H new ATOM 0 HG SER A 101 -10.550 14.239 1.683 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.727 10.318 4.988 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.030 9.270 5.720 1.00 0.00 C ATOM 1588 C ALA A 102 -9.259 8.415 4.740 1.00 0.00 C ATOM 1589 O ALA A 102 -9.673 8.252 3.592 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.984 8.398 6.523 1.00 0.00 C ATOM 0 H ALA A 102 -11.298 9.984 4.212 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.353 9.746 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.418 7.631 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.521 9.014 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.697 7.923 5.849 1.00 0.00 H new ATOM 1596 N THR A 103 -8.151 7.914 5.167 1.00 0.00 N ATOM 1597 CA THR A 103 -7.286 7.151 4.325 1.00 0.00 C ATOM 1598 C THR A 103 -7.076 5.753 4.918 1.00 0.00 C ATOM 1599 O THR A 103 -6.788 5.615 6.101 1.00 0.00 O ATOM 1600 CB THR A 103 -5.938 7.873 4.218 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.173 9.198 3.717 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.998 7.154 3.246 1.00 0.00 C ATOM 0 H THR A 103 -7.813 8.023 6.123 1.00 0.00 H new ATOM 0 HA THR A 103 -7.734 7.049 3.336 1.00 0.00 H new ATOM 0 HB THR A 103 -5.475 7.892 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.321 9.676 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.051 7.690 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.820 6.137 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.453 7.122 2.256 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.253 4.732 4.103 1.00 0.00 N ATOM 1611 CA CYS A 104 -7.040 3.354 4.550 1.00 0.00 C ATOM 1612 C CYS A 104 -5.564 2.988 4.660 1.00 0.00 C ATOM 1613 O CYS A 104 -4.807 3.036 3.697 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.779 2.372 3.630 1.00 0.00 C ATOM 1615 SG CYS A 104 -9.148 1.470 4.415 1.00 0.00 S ATOM 0 H CYS A 104 -7.543 4.821 3.129 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.452 3.280 5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.169 2.922 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.061 1.649 3.243 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.211 2.574 5.887 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.866 2.177 6.290 1.00 0.00 C ATOM 1622 C ILE A 105 -3.918 0.811 6.970 1.00 0.00 C ATOM 1623 O ILE A 105 -4.986 0.369 7.373 1.00 0.00 O ATOM 1624 CB ILE A 105 -3.208 3.184 7.257 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.999 3.274 8.578 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -3.079 4.542 6.597 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -5.167 4.218 8.541 1.00 0.00 C ATOM 0 H ILE A 105 -5.885 2.506 6.650 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.262 2.143 5.383 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.206 2.830 7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.360 2.279 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.321 3.586 9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.613 5.241 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.463 4.455 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.068 4.908 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.665 4.219 9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.815 5.224 8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.870 3.897 7.772 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.773 0.153 7.115 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.765 -1.185 7.721 1.00 0.00 C ATOM 1641 C ILE A 106 -2.788 -1.078 9.272 1.00 0.00 C ATOM 1642 O ILE A 106 -1.896 -0.480 9.896 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.412 -1.869 7.385 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.188 -1.992 5.868 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.294 -3.225 8.074 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.237 -2.777 5.155 1.00 0.00 C ATOM 0 H ILE A 106 -1.859 0.507 6.832 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.630 -1.733 7.347 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.622 -1.225 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.143 -0.992 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.219 -2.459 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.337 -3.680 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.357 -3.091 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.104 -3.874 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.003 -2.815 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.269 -3.790 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.207 -2.300 5.296 1.00 0.00 H new ATOM 1658 N SER A 107 -3.831 -1.634 9.865 1.00 0.00 N ATOM 1659 CA SER A 107 -3.978 -1.752 11.309 1.00 0.00 C ATOM 1660 C SER A 107 -2.971 -2.709 11.890 1.00 0.00 C ATOM 1661 O SER A 107 -2.398 -2.492 12.951 1.00 0.00 O ATOM 1662 CB SER A 107 -5.394 -2.153 11.651 1.00 0.00 C ATOM 1663 OG SER A 107 -6.276 -1.288 10.999 1.00 0.00 O ATOM 0 H SER A 107 -4.617 -2.025 9.346 1.00 0.00 H new ATOM 0 HA SER A 107 -3.779 -0.779 11.759 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.579 -3.183 11.345 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.549 -2.108 12.729 1.00 0.00 H new ATOM 0 HG SER A 107 -6.472 -1.635 10.104 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.776 -3.773 11.147 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.937 -4.853 11.545 1.00 0.00 C ATOM 1671 C GLY A 108 -2.392 -6.109 10.837 1.00 0.00 C ATOM 1672 O GLY A 108 -1.766 -6.535 9.868 1.00 0.00 O ATOM 0 H GLY A 108 -3.209 -3.904 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.898 -4.635 11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.985 -4.990 12.625 1.00 0.00 H new ATOM 1676 N ASP A 109 -3.505 -6.691 11.289 1.00 0.00 N ATOM 1677 CA ASP A 109 -4.065 -7.878 10.614 1.00 0.00 C ATOM 1678 C ASP A 109 -5.134 -7.459 9.614 1.00 0.00 C ATOM 1679 O ASP A 109 -5.705 -8.288 8.897 1.00 0.00 O ATOM 1680 CB ASP A 109 -4.746 -8.808 11.629 1.00 0.00 C ATOM 1681 CG ASP A 109 -5.810 -8.104 12.501 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -5.650 -6.896 12.817 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -6.817 -8.773 12.877 1.00 0.00 O ATOM 0 H ASP A 109 -4.032 -6.373 12.102 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.240 -8.388 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.216 -9.633 11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.985 -9.241 12.279 1.00 0.00 H new ATOM 1688 N THR A 110 -5.403 -6.174 9.576 1.00 0.00 N ATOM 1689 CA THR A 110 -6.479 -5.638 8.774 1.00 0.00 C ATOM 1690 C THR A 110 -6.175 -4.211 8.321 1.00 0.00 C ATOM 1691 O THR A 110 -5.193 -3.612 8.756 1.00 0.00 O ATOM 1692 CB THR A 110 -7.836 -5.723 9.519 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.918 -5.329 8.651 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.823 -4.850 10.769 1.00 0.00 C ATOM 0 H THR A 110 -4.882 -5.471 10.100 1.00 0.00 H new ATOM 0 HA THR A 110 -6.562 -6.254 7.879 1.00 0.00 H new ATOM 0 HB THR A 110 -7.990 -6.759 9.821 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.767 -5.390 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.785 -4.925 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.033 -5.187 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.642 -3.813 10.487 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.998 -3.682 7.434 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.831 -2.319 6.952 1.00 0.00 C ATOM 1704 C VAL A 111 -8.052 -1.440 7.374 1.00 0.00 C ATOM 1705 O VAL A 111 -9.215 -1.844 7.222 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.736 -2.360 5.415 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.532 -3.156 5.001 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.955 -2.998 4.846 1.00 0.00 C ATOM 0 H VAL A 111 -7.793 -4.177 7.030 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.928 -1.885 7.381 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.650 -1.339 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.469 -3.182 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.632 -2.692 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.619 -4.173 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.879 -3.023 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.045 -4.015 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.835 -2.424 5.135 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.776 -0.265 7.974 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.853 0.642 8.455 1.00 0.00 C ATOM 1720 C ILE A 112 -8.591 2.078 8.040 1.00 0.00 C ATOM 1721 O ILE A 112 -7.500 2.413 7.563 1.00 0.00 O ATOM 1722 CB ILE A 112 -9.101 0.621 9.978 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -7.878 1.124 10.722 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -9.462 -0.809 10.433 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -8.116 1.299 12.210 1.00 0.00 C ATOM 0 H ILE A 112 -6.831 0.081 8.139 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.751 0.248 7.979 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.936 1.283 10.208 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.056 0.425 10.572 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.567 2.078 10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -9.636 -0.816 11.509 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.365 -1.138 9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.641 -1.485 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.204 1.661 12.684 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.918 2.020 12.368 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.398 0.342 12.648 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.595 2.893 8.214 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.583 4.296 7.848 1.00 0.00 C ATOM 1739 C TRP A 113 -8.960 5.146 9.010 1.00 0.00 C ATOM 1740 O TRP A 113 -9.164 4.831 10.183 1.00 0.00 O ATOM 1741 CB TRP A 113 -11.032 4.687 7.618 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.622 3.917 6.473 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.482 2.831 6.539 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.370 4.134 5.096 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.768 2.396 5.278 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -12.107 3.171 4.375 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.599 5.051 4.401 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.087 3.101 2.996 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.578 4.985 3.028 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.320 4.012 2.333 1.00 0.00 C ATOM 0 H TRP A 113 -10.478 2.595 8.628 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.983 4.474 6.955 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.611 4.501 8.523 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.096 5.756 7.413 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.867 2.396 7.450 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.381 1.613 5.048 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -10.027 5.801 4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.657 2.354 2.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.981 5.693 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.281 3.987 1.254 1.00 0.00 H new ATOM 1761 N ASP A 114 -8.215 6.227 8.663 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.397 6.978 9.646 1.00 0.00 C ATOM 1763 C ASP A 114 -8.148 8.093 10.366 1.00 0.00 C ATOM 1764 O ASP A 114 -7.563 8.770 11.201 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.152 7.612 8.982 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.466 8.823 8.123 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.515 8.829 7.457 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.667 9.791 8.130 1.00 0.00 O ATOM 0 H ASP A 114 -8.165 6.596 7.713 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.113 6.225 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.446 7.903 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.657 6.860 8.367 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.419 8.285 10.077 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.159 9.383 10.728 1.00 0.00 C ATOM 1775 C GLN A 115 -10.164 9.227 12.253 1.00 0.00 C ATOM 1776 O GLN A 115 -10.312 8.139 12.785 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.583 9.523 10.176 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.398 10.640 10.832 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.745 10.862 10.171 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -13.950 10.496 9.025 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.666 11.489 10.886 1.00 0.00 N ATOM 0 H GLN A 115 -9.960 7.723 9.420 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.632 10.307 10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.529 9.709 9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.108 8.577 10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.552 10.399 11.884 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.826 11.567 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.459 11.780 11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.583 11.681 10.482 1.00 0.00 H new ATOM 1790 N GLU A 116 -9.987 10.358 12.923 1.00 0.00 N ATOM 1791 CA GLU A 116 -9.806 10.394 14.374 1.00 0.00 C ATOM 1792 C GLU A 116 -11.059 9.899 15.110 1.00 0.00 C ATOM 1793 O GLU A 116 -10.966 9.143 16.077 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.496 11.842 14.790 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.141 12.340 14.280 1.00 0.00 C ATOM 1796 CD GLU A 116 -7.861 13.816 14.602 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -8.682 14.456 15.285 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -6.832 14.349 14.108 1.00 0.00 O ATOM 0 H GLU A 116 -9.964 11.276 12.480 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.983 9.732 14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.282 12.497 14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.516 11.913 15.878 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.352 11.727 14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.095 12.198 13.200 1.00 0.00 H new ATOM 1805 N THR A 117 -12.201 10.293 14.619 1.00 0.00 N ATOM 1806 CA THR A 117 -13.475 9.945 15.216 1.00 0.00 C ATOM 1807 C THR A 117 -14.563 10.494 14.298 1.00 0.00 C ATOM 1808 O THR A 117 -14.289 11.449 13.558 1.00 0.00 O ATOM 1809 CB THR A 117 -13.591 10.582 16.638 1.00 0.00 C ATOM 1810 OG1 THR A 117 -14.750 10.114 17.320 1.00 0.00 O ATOM 1811 CG2 THR A 117 -13.613 12.100 16.576 1.00 0.00 C ATOM 0 H THR A 117 -12.282 10.872 13.783 1.00 0.00 H new ATOM 0 HA THR A 117 -13.573 8.865 15.327 1.00 0.00 H new ATOM 0 HB THR A 117 -12.705 10.273 17.193 1.00 0.00 H new ATOM 0 HG1 THR A 117 -14.797 10.527 18.207 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.694 12.504 17.585 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.693 12.459 16.115 1.00 0.00 H new ATOM 0 HG23 THR A 117 -14.467 12.428 15.984 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.786 9.901 14.238 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.819 10.479 13.369 1.00 0.00 C ATOM 1821 C PRO A 118 -17.139 11.908 13.838 1.00 0.00 C ATOM 1822 O PRO A 118 -17.313 12.153 15.036 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.016 9.508 13.585 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.727 8.813 14.896 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.227 8.720 14.982 1.00 0.00 C ATOM 0 HA PRO A 118 -16.541 10.568 12.319 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.961 10.050 13.626 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.095 8.791 12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.134 9.376 15.736 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.183 7.824 14.924 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -15.879 8.739 16.015 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.853 7.798 14.537 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.249 12.855 12.897 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.449 14.252 13.282 1.00 0.00 C ATOM 1835 C ILE A 119 -18.525 14.901 12.432 1.00 0.00 C ATOM 1836 O ILE A 119 -18.543 14.659 11.258 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.168 15.030 13.062 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.045 14.418 13.872 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.375 16.479 13.507 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -13.737 14.411 13.136 1.00 0.00 C ATOM 0 H ILE A 119 -17.204 12.684 11.892 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.745 14.267 14.331 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.907 14.998 12.004 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -14.930 14.973 14.803 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.312 13.396 14.141 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.455 17.043 13.350 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.179 16.927 12.924 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -16.638 16.501 14.565 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.968 13.961 13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.839 13.833 12.218 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.452 15.434 12.891 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.455 15.625 13.017 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.344 16.505 12.233 1.00 0.00 C ATOM 1854 C CYS A 120 -20.838 17.700 13.064 1.00 0.00 C ATOM 1855 O CYS A 120 -21.598 17.518 14.015 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.547 15.792 11.557 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.116 14.584 10.249 1.00 0.00 S ATOM 0 H CYS A 120 -19.627 15.633 14.022 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.712 16.860 11.419 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.121 15.277 12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.200 16.550 11.126 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.391 18.934 12.718 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.885 20.140 13.420 1.00 0.00 C ATOM 1864 C ASP A 121 -22.378 20.338 13.222 1.00 0.00 C ATOM 1865 O ASP A 121 -23.113 20.508 14.185 1.00 0.00 O ATOM 1866 CB ASP A 121 -20.182 21.382 12.908 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.728 22.675 13.491 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.652 23.256 12.900 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -20.193 23.133 14.513 1.00 0.00 O ATOM 0 H ASP A 121 -19.710 19.115 11.980 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.677 19.988 14.479 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -19.119 21.309 13.140 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.270 21.417 11.822 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.808 20.253 11.934 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.221 20.453 11.519 1.00 0.00 C ATOM 1876 C ARG A 122 -24.956 21.542 12.337 1.00 0.00 C ATOM 1877 O ARG A 122 -25.664 21.200 13.316 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.984 19.118 11.518 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.485 19.262 11.283 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.206 17.914 11.270 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.861 17.067 10.116 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.732 16.763 9.138 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -29.014 17.113 9.272 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -27.330 16.081 8.050 1.00 0.00 N ATOM 0 H ARG A 122 -22.183 20.044 11.155 1.00 0.00 H new ATOM 0 HA ARG A 122 -24.195 20.832 10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.566 18.473 10.745 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.822 18.618 12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.913 19.892 12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.654 19.770 10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.968 17.376 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.282 18.088 11.273 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.914 16.692 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -29.323 17.606 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -29.684 16.888 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.357 15.790 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.999 15.855 7.314 1.00 0.00 H new TER 1898 ARG A 122