USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.75) USER MOD Set 2.1: A 14 MET CE :methyl -167:sc= 0 (180deg=-0.0964) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.36 K(o=2,f=-6.7!) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -166:sc= 0.601 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 143:sc= 0.00189 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 13 HIS : no HE2:sc= 0.817 K(o=0.82,f=-2.5!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.00268) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0757 USER MOD Single : A 33 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.06) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -87:sc= 0.056 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.1) USER MOD Single : A 59 CYS SG : rot -130:sc= -0.0444 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc=-0.00551 X(o=-0.0055,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=0.000419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 15.384 21.670 7.642 1.00 0.00 N ATOM 2 CA GLU A 1 14.999 20.451 8.400 1.00 0.00 C ATOM 3 C GLU A 1 14.981 19.245 7.448 1.00 0.00 C ATOM 4 O GLU A 1 14.411 19.325 6.357 1.00 0.00 O ATOM 5 CB GLU A 1 13.644 20.647 9.114 1.00 0.00 C ATOM 6 CG GLU A 1 13.277 19.478 10.040 1.00 0.00 C ATOM 7 CD GLU A 1 11.958 19.745 10.785 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.883 19.372 10.255 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.989 20.297 11.912 1.00 0.00 O ATOM 0 H1 GLU A 1 14.845 22.485 7.998 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.401 21.848 7.764 1.00 0.00 H new ATOM 0 H3 GLU A 1 15.176 21.531 6.633 1.00 0.00 H new ATOM 0 HA GLU A 1 15.736 20.261 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 1 13.677 21.568 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.860 20.770 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.187 18.563 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 1 14.078 19.318 10.761 1.00 0.00 H new ATOM 18 N ASP A 2 15.615 18.130 7.839 1.00 0.00 N ATOM 19 CA ASP A 2 15.618 16.898 7.044 1.00 0.00 C ATOM 20 C ASP A 2 14.291 16.162 7.222 1.00 0.00 C ATOM 21 O ASP A 2 13.820 15.999 8.354 1.00 0.00 O ATOM 22 CB ASP A 2 16.775 15.987 7.459 1.00 0.00 C ATOM 23 CG ASP A 2 16.764 14.685 6.637 1.00 0.00 C ATOM 24 OD1 ASP A 2 16.995 14.746 5.406 1.00 0.00 O ATOM 25 OD2 ASP A 2 16.524 13.600 7.217 1.00 0.00 O ATOM 0 H ASP A 2 16.138 18.059 8.712 1.00 0.00 H new ATOM 0 HA ASP A 2 15.747 17.165 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.723 16.506 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.698 15.753 8.521 1.00 0.00 H new ATOM 30 N ARG A 3 13.695 15.699 6.118 1.00 0.00 N ATOM 31 CA ARG A 3 12.479 14.881 6.111 1.00 0.00 C ATOM 32 C ARG A 3 12.648 13.772 5.076 1.00 0.00 C ATOM 33 O ARG A 3 13.350 13.957 4.074 1.00 0.00 O ATOM 34 CB ARG A 3 11.235 15.734 5.796 1.00 0.00 C ATOM 35 CG ARG A 3 10.820 16.682 6.933 1.00 0.00 C ATOM 36 CD ARG A 3 10.199 15.946 8.129 1.00 0.00 C ATOM 37 NE ARG A 3 9.879 16.883 9.220 1.00 0.00 N ATOM 38 CZ ARG A 3 9.014 16.691 10.222 1.00 0.00 C ATOM 39 NH1 ARG A 3 8.292 15.574 10.321 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.895 17.651 11.131 1.00 0.00 N ATOM 0 H ARG A 3 14.054 15.888 5.182 1.00 0.00 H new ATOM 0 HA ARG A 3 12.329 14.447 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.429 16.322 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.401 15.070 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.693 17.241 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.105 17.410 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.293 15.429 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.890 15.185 8.490 1.00 0.00 H new ATOM 0 HE ARG A 3 10.371 17.776 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.392 14.838 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.640 15.455 11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.454 18.501 11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.245 17.539 11.909 1.00 0.00 H new ATOM 54 N SER A 4 12.001 12.630 5.309 1.00 0.00 N ATOM 55 CA SER A 4 12.070 11.479 4.417 1.00 0.00 C ATOM 56 C SER A 4 11.406 11.800 3.069 1.00 0.00 C ATOM 57 O SER A 4 10.422 12.548 3.011 1.00 0.00 O ATOM 58 CB SER A 4 11.407 10.267 5.087 1.00 0.00 C ATOM 59 OG SER A 4 11.894 10.087 6.414 1.00 0.00 O ATOM 0 H SER A 4 11.411 12.479 6.128 1.00 0.00 H new ATOM 0 HA SER A 4 13.115 11.239 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.326 10.405 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.602 9.370 4.499 1.00 0.00 H new ATOM 0 HG SER A 4 11.456 9.310 6.821 1.00 0.00 H new ATOM 65 N LYS A 5 11.920 11.213 1.984 1.00 0.00 N ATOM 66 CA LYS A 5 11.289 11.285 0.667 1.00 0.00 C ATOM 67 C LYS A 5 10.008 10.451 0.703 1.00 0.00 C ATOM 68 O LYS A 5 10.018 9.339 1.243 1.00 0.00 O ATOM 69 CB LYS A 5 12.285 10.797 -0.405 1.00 0.00 C ATOM 70 CG LYS A 5 11.724 10.869 -1.838 1.00 0.00 C ATOM 71 CD LYS A 5 12.734 10.418 -2.907 1.00 0.00 C ATOM 72 CE LYS A 5 13.950 11.360 -3.007 1.00 0.00 C ATOM 73 NZ LYS A 5 14.920 10.924 -4.047 1.00 0.00 N ATOM 0 H LYS A 5 12.786 10.675 1.996 1.00 0.00 H new ATOM 0 HA LYS A 5 11.020 12.309 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.193 11.398 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.569 9.768 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.832 10.246 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.414 11.892 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.078 9.410 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.236 10.370 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.607 12.369 -3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.453 11.404 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.720 11.588 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.270 9.972 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.450 10.907 -4.975 1.00 0.00 H new ATOM 87 N THR A 6 8.935 10.954 0.091 1.00 0.00 N ATOM 88 CA THR A 6 7.693 10.213 -0.103 1.00 0.00 C ATOM 89 C THR A 6 7.249 10.506 -1.535 1.00 0.00 C ATOM 90 O THR A 6 7.130 11.668 -1.921 1.00 0.00 O ATOM 91 CB THR A 6 6.647 10.580 0.980 1.00 0.00 C ATOM 92 OG1 THR A 6 7.242 10.882 2.239 1.00 0.00 O ATOM 93 CG2 THR A 6 5.684 9.405 1.209 1.00 0.00 C ATOM 0 H THR A 6 8.906 11.900 -0.288 1.00 0.00 H new ATOM 0 HA THR A 6 7.824 9.138 0.018 1.00 0.00 H new ATOM 0 HB THR A 6 6.127 11.462 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.542 11.108 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.954 9.676 1.972 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.166 9.172 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.247 8.532 1.539 1.00 0.00 H new ATOM 101 N THR A 7 7.030 9.467 -2.339 1.00 0.00 N ATOM 102 CA THR A 7 6.818 9.604 -3.776 1.00 0.00 C ATOM 103 C THR A 7 5.764 8.599 -4.259 1.00 0.00 C ATOM 104 O THR A 7 5.608 7.520 -3.681 1.00 0.00 O ATOM 105 CB THR A 7 8.173 9.452 -4.518 1.00 0.00 C ATOM 106 OG1 THR A 7 9.059 8.557 -3.855 1.00 0.00 O ATOM 107 CG2 THR A 7 8.925 10.786 -4.636 1.00 0.00 C ATOM 0 H THR A 7 6.995 8.503 -2.009 1.00 0.00 H new ATOM 0 HA THR A 7 6.429 10.597 -4.001 1.00 0.00 H new ATOM 0 HB THR A 7 7.902 9.069 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.897 8.492 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.866 10.628 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.315 11.500 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.128 11.179 -3.640 1.00 0.00 H new ATOM 115 N ASN A 8 5.031 8.962 -5.314 1.00 0.00 N ATOM 116 CA ASN A 8 4.128 8.081 -6.066 1.00 0.00 C ATOM 117 C ASN A 8 4.683 8.051 -7.477 1.00 0.00 C ATOM 118 O ASN A 8 4.927 9.119 -8.036 1.00 0.00 O ATOM 119 CB ASN A 8 2.685 8.615 -6.032 1.00 0.00 C ATOM 120 CG ASN A 8 1.749 7.610 -5.373 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.651 7.567 -4.154 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.091 6.768 -6.143 1.00 0.00 N ATOM 0 H ASN A 8 5.049 9.913 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 8 4.081 7.080 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.655 9.558 -5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.346 8.823 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.485 6.062 -5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.188 6.822 -7.157 1.00 0.00 H new ATOM 129 N THR A 9 4.882 6.861 -8.040 1.00 0.00 N ATOM 130 CA THR A 9 5.486 6.699 -9.353 1.00 0.00 C ATOM 131 C THR A 9 4.502 5.972 -10.258 1.00 0.00 C ATOM 132 O THR A 9 3.807 5.053 -9.819 1.00 0.00 O ATOM 133 CB THR A 9 6.857 6.000 -9.233 1.00 0.00 C ATOM 134 OG1 THR A 9 7.688 6.759 -8.370 1.00 0.00 O ATOM 135 CG2 THR A 9 7.550 5.763 -10.583 1.00 0.00 C ATOM 0 H THR A 9 4.626 5.980 -7.593 1.00 0.00 H new ATOM 0 HA THR A 9 5.691 7.667 -9.809 1.00 0.00 H new ATOM 0 HB THR A 9 6.680 5.008 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.561 6.321 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.507 5.268 -10.419 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.919 5.133 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.716 6.719 -11.079 1.00 0.00 H new ATOM 143 N TRP A 10 4.487 6.365 -11.527 1.00 0.00 N ATOM 144 CA TRP A 10 3.735 5.752 -12.605 1.00 0.00 C ATOM 145 C TRP A 10 4.668 5.641 -13.797 1.00 0.00 C ATOM 146 O TRP A 10 5.612 6.421 -13.918 1.00 0.00 O ATOM 147 CB TRP A 10 2.518 6.631 -12.941 1.00 0.00 C ATOM 148 CG TRP A 10 1.588 6.861 -11.794 1.00 0.00 C ATOM 149 CD1 TRP A 10 0.572 6.046 -11.461 1.00 0.00 C ATOM 150 CD2 TRP A 10 1.540 7.957 -10.832 1.00 0.00 C ATOM 151 NE1 TRP A 10 -0.082 6.532 -10.349 1.00 0.00 N ATOM 152 CE2 TRP A 10 0.447 7.737 -9.941 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.284 9.139 -10.651 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.093 8.657 -8.945 1.00 0.00 C ATOM 155 CZ3 TRP A 10 1.915 10.091 -9.682 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.815 9.860 -8.838 1.00 0.00 C ATOM 0 H TRP A 10 5.032 7.166 -11.844 1.00 0.00 H new ATOM 0 HA TRP A 10 3.368 4.764 -12.326 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.871 7.596 -13.306 1.00 0.00 H new ATOM 0 HB3 TRP A 10 1.963 6.166 -13.756 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.307 5.142 -11.988 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.859 6.059 -9.887 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.153 9.318 -11.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.722 8.446 -8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.481 11.006 -9.586 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.525 10.603 -8.110 1.00 0.00 H new ATOM 167 N VAL A 11 4.401 4.698 -14.688 1.00 0.00 N ATOM 168 CA VAL A 11 5.050 4.616 -15.984 1.00 0.00 C ATOM 169 C VAL A 11 3.930 4.664 -17.019 1.00 0.00 C ATOM 170 O VAL A 11 2.978 3.884 -16.953 1.00 0.00 O ATOM 171 CB VAL A 11 6.024 3.428 -16.055 1.00 0.00 C ATOM 172 CG1 VAL A 11 5.351 2.057 -15.884 1.00 0.00 C ATOM 173 CG2 VAL A 11 6.827 3.488 -17.366 1.00 0.00 C ATOM 0 H VAL A 11 3.717 3.958 -14.527 1.00 0.00 H new ATOM 0 HA VAL A 11 5.719 5.452 -16.189 1.00 0.00 H new ATOM 0 HB VAL A 11 6.697 3.527 -15.204 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.104 1.272 -15.946 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.859 2.012 -14.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.612 1.914 -16.672 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.515 2.644 -17.410 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.143 3.444 -18.214 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.392 4.419 -17.404 1.00 0.00 H new ATOM 183 N LEU A 12 4.004 5.642 -17.922 1.00 0.00 N ATOM 184 CA LEU A 12 2.944 5.987 -18.835 1.00 0.00 C ATOM 185 C LEU A 12 3.406 5.722 -20.253 1.00 0.00 C ATOM 186 O LEU A 12 4.420 6.259 -20.691 1.00 0.00 O ATOM 187 CB LEU A 12 2.669 7.471 -18.611 1.00 0.00 C ATOM 188 CG LEU A 12 1.364 7.989 -19.210 1.00 0.00 C ATOM 189 CD1 LEU A 12 0.182 7.307 -18.510 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.366 9.498 -18.954 1.00 0.00 C ATOM 0 H LEU A 12 4.833 6.226 -18.032 1.00 0.00 H new ATOM 0 HA LEU A 12 2.040 5.400 -18.671 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.659 7.664 -17.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.495 8.044 -19.031 1.00 0.00 H new ATOM 0 HG LEU A 12 1.274 7.777 -20.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.753 7.674 -18.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.247 6.228 -18.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.210 7.534 -17.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.454 9.937 -19.359 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.413 9.685 -17.881 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.232 9.948 -19.439 1.00 0.00 H new ATOM 202 N HIS A 13 2.660 4.899 -20.966 1.00 0.00 N ATOM 203 CA HIS A 13 2.980 4.512 -22.326 1.00 0.00 C ATOM 204 C HIS A 13 2.305 5.483 -23.291 1.00 0.00 C ATOM 205 O HIS A 13 1.124 5.794 -23.110 1.00 0.00 O ATOM 206 CB HIS A 13 2.538 3.060 -22.561 1.00 0.00 C ATOM 207 CG HIS A 13 2.805 2.535 -23.952 1.00 0.00 C ATOM 208 ND1 HIS A 13 3.956 2.692 -24.695 1.00 0.00 N ATOM 209 CD2 HIS A 13 1.946 1.766 -24.695 1.00 0.00 C ATOM 210 CE1 HIS A 13 3.796 2.018 -25.847 1.00 0.00 C ATOM 211 NE2 HIS A 13 2.580 1.443 -25.902 1.00 0.00 N ATOM 0 H HIS A 13 1.803 4.475 -20.611 1.00 0.00 H new ATOM 0 HA HIS A 13 4.055 4.560 -22.499 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.047 2.419 -21.842 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.470 2.982 -22.357 1.00 0.00 H new ATOM 0 HD1 HIS A 13 4.781 3.224 -24.420 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.952 1.462 -24.400 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.543 1.947 -26.624 1.00 0.00 H new ATOM 219 N MET A 14 3.027 5.941 -24.317 1.00 0.00 N ATOM 220 CA MET A 14 2.466 6.699 -25.425 1.00 0.00 C ATOM 221 C MET A 14 3.117 6.223 -26.725 1.00 0.00 C ATOM 222 O MET A 14 4.278 6.543 -26.982 1.00 0.00 O ATOM 223 CB MET A 14 2.651 8.215 -25.231 1.00 0.00 C ATOM 224 CG MET A 14 1.941 8.769 -23.999 1.00 0.00 C ATOM 225 SD MET A 14 2.031 10.575 -23.902 1.00 0.00 S ATOM 226 CE MET A 14 0.839 10.806 -22.571 1.00 0.00 C ATOM 0 H MET A 14 4.033 5.790 -24.397 1.00 0.00 H new ATOM 0 HA MET A 14 1.391 6.523 -25.469 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.716 8.435 -25.155 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.281 8.733 -26.116 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.896 8.461 -24.016 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.386 8.337 -23.102 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.568 11.860 -22.504 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.053 10.214 -22.775 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.280 10.484 -21.628 1.00 0.00 H new ATOM 236 N ASP A 15 2.354 5.476 -27.534 1.00 0.00 N ATOM 237 CA ASP A 15 2.633 4.977 -28.899 1.00 0.00 C ATOM 238 C ASP A 15 3.833 4.027 -29.060 1.00 0.00 C ATOM 239 O ASP A 15 3.785 3.095 -29.867 1.00 0.00 O ATOM 240 CB ASP A 15 2.722 6.151 -29.881 1.00 0.00 C ATOM 241 CG ASP A 15 2.921 5.658 -31.327 1.00 0.00 C ATOM 242 OD1 ASP A 15 1.943 5.157 -31.936 1.00 0.00 O ATOM 243 OD2 ASP A 15 4.043 5.805 -31.872 1.00 0.00 O ATOM 0 H ASP A 15 1.431 5.172 -27.223 1.00 0.00 H new ATOM 0 HA ASP A 15 1.780 4.339 -29.132 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.812 6.748 -29.820 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.550 6.802 -29.599 1.00 0.00 H new ATOM 248 N GLY A 16 4.888 4.221 -28.278 1.00 0.00 N ATOM 249 CA GLY A 16 6.141 3.481 -28.315 1.00 0.00 C ATOM 250 C GLY A 16 7.019 3.871 -27.124 1.00 0.00 C ATOM 251 O GLY A 16 7.720 3.018 -26.576 1.00 0.00 O ATOM 0 H GLY A 16 4.890 4.943 -27.558 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.940 2.410 -28.293 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.667 3.688 -29.247 1.00 0.00 H new ATOM 255 N GLU A 17 6.932 5.126 -26.670 1.00 0.00 N ATOM 256 CA GLU A 17 7.649 5.625 -25.511 1.00 0.00 C ATOM 257 C GLU A 17 6.973 5.144 -24.225 1.00 0.00 C ATOM 258 O GLU A 17 5.778 4.831 -24.201 1.00 0.00 O ATOM 259 CB GLU A 17 7.729 7.163 -25.561 1.00 0.00 C ATOM 260 CG GLU A 17 8.833 7.686 -26.495 1.00 0.00 C ATOM 261 CD GLU A 17 8.632 7.305 -27.976 1.00 0.00 C ATOM 262 OE1 GLU A 17 7.711 7.845 -28.633 1.00 0.00 O ATOM 263 OE2 GLU A 17 9.420 6.481 -28.503 1.00 0.00 O ATOM 0 H GLU A 17 6.345 5.832 -27.114 1.00 0.00 H new ATOM 0 HA GLU A 17 8.666 5.234 -25.522 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.768 7.559 -25.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.904 7.543 -24.555 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.880 8.772 -26.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.794 7.298 -26.158 1.00 0.00 H new ATOM 270 N ASN A 18 7.749 5.109 -23.139 1.00 0.00 N ATOM 271 CA ASN A 18 7.292 4.888 -21.776 1.00 0.00 C ATOM 272 C ASN A 18 7.940 5.971 -20.925 1.00 0.00 C ATOM 273 O ASN A 18 9.167 6.018 -20.822 1.00 0.00 O ATOM 274 CB ASN A 18 7.651 3.477 -21.277 1.00 0.00 C ATOM 275 CG ASN A 18 6.547 2.476 -21.590 1.00 0.00 C ATOM 276 OD1 ASN A 18 5.614 2.312 -20.810 1.00 0.00 O ATOM 277 ND2 ASN A 18 6.606 1.810 -22.736 1.00 0.00 N ATOM 0 H ASN A 18 8.759 5.241 -23.195 1.00 0.00 H new ATOM 0 HA ASN A 18 6.205 4.948 -21.716 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.581 3.151 -21.742 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.825 3.504 -20.201 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.868 1.149 -22.980 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.389 1.959 -23.373 1.00 0.00 H new ATOM 284 N PHE A 19 7.129 6.851 -20.340 1.00 0.00 N ATOM 285 CA PHE A 19 7.583 7.995 -19.552 1.00 0.00 C ATOM 286 C PHE A 19 7.340 7.696 -18.079 1.00 0.00 C ATOM 287 O PHE A 19 6.202 7.437 -17.692 1.00 0.00 O ATOM 288 CB PHE A 19 6.828 9.270 -19.985 1.00 0.00 C ATOM 289 CG PHE A 19 6.948 9.619 -21.458 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.208 9.912 -22.020 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.795 9.681 -22.267 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.318 10.250 -23.380 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.908 10.033 -23.624 1.00 0.00 C ATOM 294 CZ PHE A 19 7.167 10.314 -24.181 1.00 0.00 C ATOM 0 H PHE A 19 6.113 6.786 -20.403 1.00 0.00 H new ATOM 0 HA PHE A 19 8.647 8.165 -19.716 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.773 9.150 -19.741 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.198 10.110 -19.397 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.093 9.876 -21.402 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.826 9.458 -21.845 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.287 10.460 -23.808 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.023 10.088 -24.241 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.249 10.579 -25.225 1.00 0.00 H new ATOM 304 N ARG A 20 8.379 7.721 -17.241 1.00 0.00 N ATOM 305 CA ARG A 20 8.183 7.672 -15.797 1.00 0.00 C ATOM 306 C ARG A 20 7.649 9.014 -15.338 1.00 0.00 C ATOM 307 O ARG A 20 8.124 10.060 -15.776 1.00 0.00 O ATOM 308 CB ARG A 20 9.455 7.255 -15.047 1.00 0.00 C ATOM 309 CG ARG A 20 9.654 5.735 -15.196 1.00 0.00 C ATOM 310 CD ARG A 20 10.056 5.084 -13.875 1.00 0.00 C ATOM 311 NE ARG A 20 11.369 5.558 -13.390 1.00 0.00 N ATOM 312 CZ ARG A 20 12.017 5.112 -12.305 1.00 0.00 C ATOM 313 NH1 ARG A 20 11.501 4.139 -11.554 1.00 0.00 N ATOM 314 NH2 ARG A 20 13.189 5.646 -11.972 1.00 0.00 N ATOM 0 H ARG A 20 9.354 7.774 -17.537 1.00 0.00 H new ATOM 0 HA ARG A 20 7.453 6.898 -15.560 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.318 7.788 -15.446 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.375 7.522 -13.993 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.732 5.281 -15.559 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.421 5.541 -15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.296 5.295 -13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.087 4.002 -14.001 1.00 0.00 H new ATOM 0 HE ARG A 20 11.824 6.293 -13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.603 3.725 -11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.005 3.809 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.590 6.391 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.686 5.310 -11.147 1.00 0.00 H new ATOM 328 N ILE A 21 6.690 8.956 -14.431 1.00 0.00 N ATOM 329 CA ILE A 21 6.139 10.079 -13.699 1.00 0.00 C ATOM 330 C ILE A 21 6.471 9.787 -12.253 1.00 0.00 C ATOM 331 O ILE A 21 6.186 8.681 -11.803 1.00 0.00 O ATOM 332 CB ILE A 21 4.615 10.211 -13.885 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.216 10.257 -15.369 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.037 11.415 -13.107 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.695 11.482 -16.142 1.00 0.00 C ATOM 0 H ILE A 21 6.251 8.072 -14.172 1.00 0.00 H new ATOM 0 HA ILE A 21 6.555 11.022 -14.052 1.00 0.00 H new ATOM 0 HB ILE A 21 4.172 9.310 -13.460 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.605 9.365 -15.859 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.129 10.209 -15.436 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.960 11.469 -13.267 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.240 11.292 -12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.503 12.335 -13.461 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.359 11.413 -17.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.285 12.383 -15.686 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.784 11.526 -16.116 1.00 0.00 H new ATOM 347 N VAL A 22 7.004 10.745 -11.510 1.00 0.00 N ATOM 348 CA VAL A 22 7.163 10.646 -10.080 1.00 0.00 C ATOM 349 C VAL A 22 6.603 11.935 -9.498 1.00 0.00 C ATOM 350 O VAL A 22 7.096 13.020 -9.797 1.00 0.00 O ATOM 351 CB VAL A 22 8.634 10.386 -9.696 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.746 10.151 -8.183 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.229 9.177 -10.426 1.00 0.00 C ATOM 0 H VAL A 22 7.342 11.626 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 22 6.621 9.794 -9.670 1.00 0.00 H new ATOM 0 HB VAL A 22 9.197 11.270 -9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.788 9.968 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.386 11.031 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.144 9.287 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.266 9.040 -10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.656 8.284 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.189 9.346 -11.502 1.00 0.00 H new ATOM 363 N LEU A 23 5.561 11.827 -8.684 1.00 0.00 N ATOM 364 CA LEU A 23 5.072 12.940 -7.881 1.00 0.00 C ATOM 365 C LEU A 23 5.899 12.920 -6.600 1.00 0.00 C ATOM 366 O LEU A 23 5.876 11.922 -5.878 1.00 0.00 O ATOM 367 CB LEU A 23 3.578 12.745 -7.572 1.00 0.00 C ATOM 368 CG LEU A 23 3.063 13.572 -6.361 1.00 0.00 C ATOM 369 CD1 LEU A 23 3.125 15.085 -6.577 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.630 13.202 -5.973 1.00 0.00 C ATOM 0 H LEU A 23 5.031 10.964 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 23 5.171 13.894 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.998 13.015 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.393 11.688 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 23 3.747 13.311 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.749 15.595 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.157 15.385 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.513 15.355 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.316 13.807 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.965 13.389 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.587 12.147 -5.704 1.00 0.00 H new ATOM 382 N GLU A 24 6.606 14.005 -6.309 1.00 0.00 N ATOM 383 CA GLU A 24 7.260 14.260 -5.046 1.00 0.00 C ATOM 384 C GLU A 24 6.188 14.808 -4.111 1.00 0.00 C ATOM 385 O GLU A 24 5.649 15.890 -4.351 1.00 0.00 O ATOM 386 CB GLU A 24 8.414 15.251 -5.288 1.00 0.00 C ATOM 387 CG GLU A 24 9.727 14.676 -4.768 1.00 0.00 C ATOM 388 CD GLU A 24 9.853 14.651 -3.227 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.822 14.635 -2.515 1.00 0.00 O ATOM 390 OE2 GLU A 24 11.008 14.648 -2.735 1.00 0.00 O ATOM 0 H GLU A 24 6.741 14.760 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 24 7.698 13.369 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.500 15.465 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.201 16.196 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.838 13.659 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.552 15.260 -5.177 1.00 0.00 H new ATOM 397 N LYS A 25 5.834 14.054 -3.069 1.00 0.00 N ATOM 398 CA LYS A 25 4.716 14.410 -2.198 1.00 0.00 C ATOM 399 C LYS A 25 5.092 15.546 -1.252 1.00 0.00 C ATOM 400 O LYS A 25 4.201 16.254 -0.782 1.00 0.00 O ATOM 401 CB LYS A 25 4.257 13.190 -1.394 1.00 0.00 C ATOM 402 CG LYS A 25 3.643 12.105 -2.289 1.00 0.00 C ATOM 403 CD LYS A 25 3.380 10.842 -1.463 1.00 0.00 C ATOM 404 CE LYS A 25 2.575 9.827 -2.292 1.00 0.00 C ATOM 405 NZ LYS A 25 2.282 8.564 -1.553 1.00 0.00 N ATOM 0 H LYS A 25 6.309 13.190 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 25 3.896 14.750 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.106 12.774 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.525 13.502 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.712 12.465 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.317 11.877 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.326 10.399 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.832 11.099 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.636 10.285 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.129 9.589 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.954 7.838 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.145 8.232 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.542 8.740 -0.844 1.00 0.00 H new ATOM 419 N ASP A 26 6.383 15.730 -0.949 1.00 0.00 N ATOM 420 CA ASP A 26 6.811 16.776 -0.024 1.00 0.00 C ATOM 421 C ASP A 26 6.615 18.154 -0.660 1.00 0.00 C ATOM 422 O ASP A 26 6.084 19.068 -0.024 1.00 0.00 O ATOM 423 CB ASP A 26 8.273 16.596 0.393 1.00 0.00 C ATOM 424 CG ASP A 26 8.694 17.729 1.344 1.00 0.00 C ATOM 425 OD1 ASP A 26 8.292 17.697 2.532 1.00 0.00 O ATOM 426 OD2 ASP A 26 9.438 18.644 0.914 1.00 0.00 O ATOM 0 H ASP A 26 7.144 15.168 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 26 6.195 16.699 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.403 15.631 0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.913 16.594 -0.489 1.00 0.00 H new ATOM 431 N ALA A 27 7.004 18.284 -1.933 1.00 0.00 N ATOM 432 CA ALA A 27 6.939 19.524 -2.692 1.00 0.00 C ATOM 433 C ALA A 27 5.652 19.659 -3.519 1.00 0.00 C ATOM 434 O ALA A 27 5.347 20.767 -3.970 1.00 0.00 O ATOM 435 CB ALA A 27 8.175 19.607 -3.599 1.00 0.00 C ATOM 0 H ALA A 27 7.382 17.505 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 27 6.925 20.352 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.142 20.531 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.077 19.593 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.185 18.755 -4.279 1.00 0.00 H new ATOM 441 N MET A 28 4.906 18.563 -3.721 1.00 0.00 N ATOM 442 CA MET A 28 3.796 18.472 -4.667 1.00 0.00 C ATOM 443 C MET A 28 4.272 18.932 -6.053 1.00 0.00 C ATOM 444 O MET A 28 3.612 19.718 -6.738 1.00 0.00 O ATOM 445 CB MET A 28 2.499 19.119 -4.148 1.00 0.00 C ATOM 446 CG MET A 28 1.897 18.336 -2.973 1.00 0.00 C ATOM 447 SD MET A 28 1.437 16.598 -3.289 1.00 0.00 S ATOM 448 CE MET A 28 0.119 16.775 -4.527 1.00 0.00 C ATOM 0 H MET A 28 5.067 17.693 -3.214 1.00 0.00 H new ATOM 0 HA MET A 28 3.494 17.431 -4.776 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.705 20.142 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 28 1.772 19.174 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.613 18.354 -2.151 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.008 18.866 -2.632 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.263 15.790 -4.795 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.689 17.378 -4.114 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.518 17.263 -5.416 1.00 0.00 H new ATOM 458 N ASP A 29 5.455 18.447 -6.444 1.00 0.00 N ATOM 459 CA ASP A 29 6.103 18.704 -7.726 1.00 0.00 C ATOM 460 C ASP A 29 6.165 17.377 -8.472 1.00 0.00 C ATOM 461 O ASP A 29 6.294 16.330 -7.834 1.00 0.00 O ATOM 462 CB ASP A 29 7.510 19.288 -7.534 1.00 0.00 C ATOM 463 CG ASP A 29 8.085 19.939 -8.807 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.481 19.856 -9.902 1.00 0.00 O ATOM 465 OD2 ASP A 29 9.158 20.578 -8.690 1.00 0.00 O ATOM 0 H ASP A 29 6.010 17.836 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 29 5.536 19.441 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.481 20.031 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.182 18.495 -7.206 1.00 0.00 H new ATOM 470 N VAL A 30 6.055 17.384 -9.796 1.00 0.00 N ATOM 471 CA VAL A 30 5.952 16.168 -10.581 1.00 0.00 C ATOM 472 C VAL A 30 7.104 16.158 -11.581 1.00 0.00 C ATOM 473 O VAL A 30 7.207 17.014 -12.465 1.00 0.00 O ATOM 474 CB VAL A 30 4.551 16.031 -11.208 1.00 0.00 C ATOM 475 CG1 VAL A 30 4.433 14.727 -12.006 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.428 16.056 -10.163 1.00 0.00 C ATOM 0 H VAL A 30 6.035 18.238 -10.353 1.00 0.00 H new ATOM 0 HA VAL A 30 6.051 15.280 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 30 4.435 16.893 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.435 14.654 -12.438 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.176 14.720 -12.804 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.604 13.878 -11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.464 15.956 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.562 15.230 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.458 17.000 -9.619 1.00 0.00 H new ATOM 486 N TRP A 31 7.959 15.152 -11.427 1.00 0.00 N ATOM 487 CA TRP A 31 9.038 14.815 -12.320 1.00 0.00 C ATOM 488 C TRP A 31 8.446 13.942 -13.430 1.00 0.00 C ATOM 489 O TRP A 31 7.912 12.872 -13.135 1.00 0.00 O ATOM 490 CB TRP A 31 10.108 14.038 -11.520 1.00 0.00 C ATOM 491 CG TRP A 31 10.451 14.536 -10.139 1.00 0.00 C ATOM 492 CD1 TRP A 31 10.022 14.021 -8.962 1.00 0.00 C ATOM 493 CD2 TRP A 31 11.352 15.618 -9.762 1.00 0.00 C ATOM 494 NE1 TRP A 31 10.608 14.691 -7.911 1.00 0.00 N ATOM 495 CE2 TRP A 31 11.458 15.679 -8.344 1.00 0.00 C ATOM 496 CE3 TRP A 31 12.113 16.540 -10.493 1.00 0.00 C ATOM 497 CZ2 TRP A 31 12.292 16.593 -7.684 1.00 0.00 C ATOM 498 CZ3 TRP A 31 12.979 17.447 -9.850 1.00 0.00 C ATOM 499 CH2 TRP A 31 13.065 17.479 -8.449 1.00 0.00 C ATOM 0 H TRP A 31 7.906 14.521 -10.628 1.00 0.00 H new ATOM 0 HA TRP A 31 9.505 15.699 -12.755 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.774 13.004 -11.430 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.025 14.027 -12.110 1.00 0.00 H new ATOM 0 HD1 TRP A 31 9.323 13.204 -8.862 1.00 0.00 H new ATOM 0 HE1 TRP A 31 10.432 14.479 -6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.034 16.556 -11.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.338 16.614 -6.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.581 18.123 -10.439 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.724 18.183 -7.962 1.00 0.00 H new ATOM 510 N CYS A 32 8.514 14.363 -14.692 1.00 0.00 N ATOM 511 CA CYS A 32 8.197 13.529 -15.843 1.00 0.00 C ATOM 512 C CYS A 32 9.501 13.338 -16.611 1.00 0.00 C ATOM 513 O CYS A 32 10.173 14.318 -16.930 1.00 0.00 O ATOM 514 CB CYS A 32 7.108 14.197 -16.683 1.00 0.00 C ATOM 515 SG CYS A 32 6.795 13.267 -18.215 1.00 0.00 S ATOM 0 H CYS A 32 8.796 15.310 -14.944 1.00 0.00 H new ATOM 0 HA CYS A 32 7.800 12.556 -15.554 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.188 14.266 -16.102 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.408 15.216 -16.928 1.00 0.00 H new ATOM 0 HG CYS A 32 5.864 13.861 -18.901 1.00 0.00 H new ATOM 521 N ASN A 33 9.873 12.081 -16.875 1.00 0.00 N ATOM 522 CA ASN A 33 11.118 11.712 -17.566 1.00 0.00 C ATOM 523 C ASN A 33 12.350 12.410 -16.947 1.00 0.00 C ATOM 524 O ASN A 33 13.277 12.820 -17.644 1.00 0.00 O ATOM 525 CB ASN A 33 10.953 11.922 -19.086 1.00 0.00 C ATOM 526 CG ASN A 33 12.059 11.260 -19.906 1.00 0.00 C ATOM 527 OD1 ASN A 33 12.889 11.925 -20.525 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.082 9.933 -19.967 1.00 0.00 N ATOM 0 H ASN A 33 9.308 11.274 -16.610 1.00 0.00 H new ATOM 0 HA ASN A 33 11.316 10.650 -17.421 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.988 11.523 -19.399 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.940 12.991 -19.300 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.790 9.460 -20.529 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.392 9.387 -19.452 1.00 0.00 H new ATOM 535 N GLY A 34 12.343 12.579 -15.617 1.00 0.00 N ATOM 536 CA GLY A 34 13.439 13.182 -14.855 1.00 0.00 C ATOM 537 C GLY A 34 13.488 14.716 -14.888 1.00 0.00 C ATOM 538 O GLY A 34 14.407 15.290 -14.301 1.00 0.00 O ATOM 0 H GLY A 34 11.558 12.294 -15.032 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.360 12.859 -13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.383 12.795 -15.238 1.00 0.00 H new ATOM 542 N LYS A 35 12.529 15.397 -15.533 1.00 0.00 N ATOM 543 CA LYS A 35 12.447 16.863 -15.589 1.00 0.00 C ATOM 544 C LYS A 35 11.191 17.316 -14.848 1.00 0.00 C ATOM 545 O LYS A 35 10.177 16.622 -14.892 1.00 0.00 O ATOM 546 CB LYS A 35 12.425 17.337 -17.058 1.00 0.00 C ATOM 547 CG LYS A 35 13.622 16.887 -17.920 1.00 0.00 C ATOM 548 CD LYS A 35 15.005 17.368 -17.449 1.00 0.00 C ATOM 549 CE LYS A 35 15.138 18.901 -17.501 1.00 0.00 C ATOM 550 NZ LYS A 35 16.508 19.358 -17.141 1.00 0.00 N ATOM 0 H LYS A 35 11.774 14.934 -16.040 1.00 0.00 H new ATOM 0 HA LYS A 35 13.321 17.304 -15.110 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.508 16.976 -17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.381 18.426 -17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.630 15.798 -17.956 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.464 17.239 -18.940 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.179 17.025 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.776 16.917 -18.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.891 19.252 -18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.416 19.350 -16.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.552 20.396 -17.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.735 19.046 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.196 18.951 -17.807 1.00 0.00 H new ATOM 564 N LYS A 36 11.217 18.467 -14.171 1.00 0.00 N ATOM 565 CA LYS A 36 10.010 19.031 -13.567 1.00 0.00 C ATOM 566 C LYS A 36 9.084 19.472 -14.697 1.00 0.00 C ATOM 567 O LYS A 36 9.568 20.019 -15.693 1.00 0.00 O ATOM 568 CB LYS A 36 10.346 20.229 -12.665 1.00 0.00 C ATOM 569 CG LYS A 36 11.322 19.888 -11.527 1.00 0.00 C ATOM 570 CD LYS A 36 12.314 21.020 -11.234 1.00 0.00 C ATOM 571 CE LYS A 36 11.676 22.353 -10.804 1.00 0.00 C ATOM 572 NZ LYS A 36 11.157 22.316 -9.411 1.00 0.00 N ATOM 0 H LYS A 36 12.059 19.024 -14.028 1.00 0.00 H new ATOM 0 HA LYS A 36 9.528 18.278 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.776 21.023 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.423 20.620 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.755 19.665 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.875 18.985 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.995 20.691 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.916 21.194 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.415 23.150 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.861 22.598 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.831 23.265 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.363 21.647 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.914 22.011 -8.767 1.00 0.00 H new ATOM 586 N LEU A 37 7.773 19.279 -14.545 1.00 0.00 N ATOM 587 CA LEU A 37 6.763 19.846 -15.432 1.00 0.00 C ATOM 588 C LEU A 37 5.860 20.807 -14.665 1.00 0.00 C ATOM 589 O LEU A 37 5.852 20.845 -13.431 1.00 0.00 O ATOM 590 CB LEU A 37 6.016 18.801 -16.270 1.00 0.00 C ATOM 591 CG LEU A 37 5.359 17.650 -15.510 1.00 0.00 C ATOM 592 CD1 LEU A 37 4.234 18.056 -14.561 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.787 16.654 -16.522 1.00 0.00 C ATOM 0 H LEU A 37 7.380 18.716 -13.791 1.00 0.00 H new ATOM 0 HA LEU A 37 7.281 20.436 -16.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.244 19.314 -16.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.718 18.377 -16.988 1.00 0.00 H new ATOM 0 HG LEU A 37 6.146 17.223 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.834 17.169 -14.070 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.623 18.742 -13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.441 18.547 -15.125 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.315 15.827 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.047 17.154 -17.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.591 16.270 -17.150 1.00 0.00 H new ATOM 605 N GLU A 38 5.142 21.628 -15.422 1.00 0.00 N ATOM 606 CA GLU A 38 4.205 22.616 -14.923 1.00 0.00 C ATOM 607 C GLU A 38 2.964 21.926 -14.351 1.00 0.00 C ATOM 608 O GLU A 38 2.490 20.933 -14.902 1.00 0.00 O ATOM 609 CB GLU A 38 3.818 23.618 -16.026 1.00 0.00 C ATOM 610 CG GLU A 38 3.409 22.983 -17.369 1.00 0.00 C ATOM 611 CD GLU A 38 4.603 22.839 -18.334 1.00 0.00 C ATOM 612 OE1 GLU A 38 5.313 21.805 -18.263 1.00 0.00 O ATOM 613 OE2 GLU A 38 4.829 23.750 -19.166 1.00 0.00 O ATOM 0 H GLU A 38 5.202 21.620 -16.440 1.00 0.00 H new ATOM 0 HA GLU A 38 4.689 23.176 -14.123 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.992 24.231 -15.665 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.660 24.287 -16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.972 22.002 -17.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.637 23.594 -17.837 1.00 0.00 H new ATOM 620 N THR A 39 2.408 22.485 -13.279 1.00 0.00 N ATOM 621 CA THR A 39 1.245 21.945 -12.579 1.00 0.00 C ATOM 622 C THR A 39 0.289 23.078 -12.191 1.00 0.00 C ATOM 623 O THR A 39 0.721 24.198 -11.901 1.00 0.00 O ATOM 624 CB THR A 39 1.677 21.111 -11.354 1.00 0.00 C ATOM 625 OG1 THR A 39 2.805 21.661 -10.677 1.00 0.00 O ATOM 626 CG2 THR A 39 2.031 19.677 -11.763 1.00 0.00 C ATOM 0 H THR A 39 2.762 23.346 -12.863 1.00 0.00 H new ATOM 0 HA THR A 39 0.711 21.273 -13.250 1.00 0.00 H new ATOM 0 HB THR A 39 0.821 21.122 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.034 21.095 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.332 19.111 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.161 19.203 -12.219 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.852 19.695 -12.480 1.00 0.00 H new ATOM 634 N ALA A 40 -1.006 22.766 -12.161 1.00 0.00 N ATOM 635 CA ALA A 40 -2.071 23.600 -11.617 1.00 0.00 C ATOM 636 C ALA A 40 -2.829 22.711 -10.637 1.00 0.00 C ATOM 637 O ALA A 40 -2.962 21.518 -10.906 1.00 0.00 O ATOM 638 CB ALA A 40 -2.985 24.104 -12.740 1.00 0.00 C ATOM 0 H ALA A 40 -1.355 21.883 -12.533 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.681 24.488 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.774 24.725 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.401 24.693 -13.448 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.430 23.253 -13.256 1.00 0.00 H new ATOM 644 N GLY A 41 -3.308 23.246 -9.516 1.00 0.00 N ATOM 645 CA GLY A 41 -3.959 22.473 -8.470 1.00 0.00 C ATOM 646 C GLY A 41 -5.360 23.024 -8.310 1.00 0.00 C ATOM 647 O GLY A 41 -5.522 24.143 -7.818 1.00 0.00 O ATOM 0 H GLY A 41 -3.252 24.243 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.990 21.416 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.406 22.551 -7.534 1.00 0.00 H new ATOM 651 N GLU A 42 -6.357 22.256 -8.742 1.00 0.00 N ATOM 652 CA GLU A 42 -7.753 22.549 -8.473 1.00 0.00 C ATOM 653 C GLU A 42 -8.213 21.722 -7.277 1.00 0.00 C ATOM 654 O GLU A 42 -7.737 20.603 -7.065 1.00 0.00 O ATOM 655 CB GLU A 42 -8.634 22.305 -9.708 1.00 0.00 C ATOM 656 CG GLU A 42 -8.660 23.573 -10.569 1.00 0.00 C ATOM 657 CD GLU A 42 -9.592 23.446 -11.789 1.00 0.00 C ATOM 658 OE1 GLU A 42 -10.833 23.381 -11.607 1.00 0.00 O ATOM 659 OE2 GLU A 42 -9.102 23.470 -12.945 1.00 0.00 O ATOM 0 H GLU A 42 -6.213 21.409 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.855 23.607 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.246 21.467 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.645 22.039 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.982 24.416 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.649 23.795 -10.911 1.00 0.00 H new ATOM 666 N PHE A 43 -9.152 22.270 -6.507 1.00 0.00 N ATOM 667 CA PHE A 43 -9.654 21.655 -5.281 1.00 0.00 C ATOM 668 C PHE A 43 -11.151 21.417 -5.430 1.00 0.00 C ATOM 669 O PHE A 43 -11.881 22.298 -5.894 1.00 0.00 O ATOM 670 CB PHE A 43 -9.345 22.542 -4.066 1.00 0.00 C ATOM 671 CG PHE A 43 -7.865 22.735 -3.787 1.00 0.00 C ATOM 672 CD1 PHE A 43 -7.179 21.834 -2.950 1.00 0.00 C ATOM 673 CD2 PHE A 43 -7.169 23.816 -4.361 1.00 0.00 C ATOM 674 CE1 PHE A 43 -5.809 22.014 -2.688 1.00 0.00 C ATOM 675 CE2 PHE A 43 -5.797 23.993 -4.104 1.00 0.00 C ATOM 676 CZ PHE A 43 -5.116 23.092 -3.267 1.00 0.00 C ATOM 0 H PHE A 43 -9.591 23.166 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.157 20.699 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.803 23.519 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.814 22.105 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.707 21.002 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.690 24.512 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.288 21.323 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.267 24.821 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.063 23.227 -3.069 1.00 0.00 H new ATOM 686 N VAL A 44 -11.604 20.237 -5.016 1.00 0.00 N ATOM 687 CA VAL A 44 -12.995 19.824 -5.019 1.00 0.00 C ATOM 688 C VAL A 44 -13.391 19.295 -3.640 1.00 0.00 C ATOM 689 O VAL A 44 -12.542 18.996 -2.797 1.00 0.00 O ATOM 690 CB VAL A 44 -13.237 18.783 -6.133 1.00 0.00 C ATOM 691 CG1 VAL A 44 -13.546 19.493 -7.451 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.114 17.750 -6.306 1.00 0.00 C ATOM 0 H VAL A 44 -10.981 19.515 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 44 -13.630 20.684 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.099 18.197 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.716 18.752 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.439 20.107 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.704 20.127 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.373 17.062 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.184 18.262 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.987 17.192 -5.378 1.00 0.00 H new ATOM 702 N ASP A 45 -14.699 19.125 -3.433 1.00 0.00 N ATOM 703 CA ASP A 45 -15.295 18.549 -2.222 1.00 0.00 C ATOM 704 C ASP A 45 -15.158 17.014 -2.229 1.00 0.00 C ATOM 705 O ASP A 45 -16.118 16.257 -2.074 1.00 0.00 O ATOM 706 CB ASP A 45 -16.742 19.034 -2.049 1.00 0.00 C ATOM 707 CG ASP A 45 -17.360 18.554 -0.720 1.00 0.00 C ATOM 708 OD1 ASP A 45 -16.679 18.609 0.333 1.00 0.00 O ATOM 709 OD2 ASP A 45 -18.557 18.175 -0.711 1.00 0.00 O ATOM 0 H ASP A 45 -15.397 19.393 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 45 -14.749 18.900 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.766 20.123 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.347 18.673 -2.881 1.00 0.00 H new ATOM 714 N ASP A 46 -13.940 16.562 -2.522 1.00 0.00 N ATOM 715 CA ASP A 46 -13.549 15.179 -2.778 1.00 0.00 C ATOM 716 C ASP A 46 -12.035 15.008 -2.584 1.00 0.00 C ATOM 717 O ASP A 46 -11.580 13.971 -2.094 1.00 0.00 O ATOM 718 CB ASP A 46 -13.918 14.825 -4.228 1.00 0.00 C ATOM 719 CG ASP A 46 -13.365 13.455 -4.651 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.931 12.418 -4.229 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.400 13.426 -5.451 1.00 0.00 O ATOM 0 H ASP A 46 -13.146 17.198 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.068 14.521 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.003 14.826 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.531 15.593 -4.897 1.00 0.00 H new ATOM 726 N GLY A 47 -11.242 16.031 -2.915 1.00 0.00 N ATOM 727 CA GLY A 47 -9.795 15.975 -2.875 1.00 0.00 C ATOM 728 C GLY A 47 -9.211 17.090 -3.736 1.00 0.00 C ATOM 729 O GLY A 47 -9.838 18.136 -3.923 1.00 0.00 O ATOM 0 H GLY A 47 -11.604 16.934 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.446 16.076 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.449 15.006 -3.235 1.00 0.00 H new ATOM 733 N THR A 48 -8.032 16.845 -4.294 1.00 0.00 N ATOM 734 CA THR A 48 -7.326 17.781 -5.152 1.00 0.00 C ATOM 735 C THR A 48 -7.110 17.106 -6.503 1.00 0.00 C ATOM 736 O THR A 48 -7.001 15.881 -6.588 1.00 0.00 O ATOM 737 CB THR A 48 -5.997 18.226 -4.507 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.120 18.405 -3.100 1.00 0.00 O ATOM 739 CG2 THR A 48 -5.443 19.528 -5.091 1.00 0.00 C ATOM 0 H THR A 48 -7.530 15.968 -4.157 1.00 0.00 H new ATOM 0 HA THR A 48 -7.914 18.688 -5.292 1.00 0.00 H new ATOM 0 HB THR A 48 -5.305 17.414 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.424 19.317 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.508 19.782 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.262 19.400 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.165 20.331 -4.940 1.00 0.00 H new ATOM 747 N GLU A 49 -7.024 17.906 -7.555 1.00 0.00 N ATOM 748 CA GLU A 49 -6.699 17.498 -8.903 1.00 0.00 C ATOM 749 C GLU A 49 -5.509 18.350 -9.351 1.00 0.00 C ATOM 750 O GLU A 49 -5.650 19.552 -9.578 1.00 0.00 O ATOM 751 CB GLU A 49 -7.921 17.656 -9.823 1.00 0.00 C ATOM 752 CG GLU A 49 -9.087 16.730 -9.442 1.00 0.00 C ATOM 753 CD GLU A 49 -10.324 16.988 -10.326 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.034 18.001 -10.110 1.00 0.00 O ATOM 755 OE2 GLU A 49 -10.632 16.152 -11.210 1.00 0.00 O ATOM 0 H GLU A 49 -7.189 18.910 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.428 16.443 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.261 18.691 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.623 17.451 -10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.776 15.690 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.348 16.883 -8.395 1.00 0.00 H new ATOM 762 N THR A 50 -4.320 17.747 -9.432 1.00 0.00 N ATOM 763 CA THR A 50 -3.120 18.413 -9.933 1.00 0.00 C ATOM 764 C THR A 50 -3.051 18.145 -11.434 1.00 0.00 C ATOM 765 O THR A 50 -2.694 17.035 -11.818 1.00 0.00 O ATOM 766 CB THR A 50 -1.880 17.909 -9.171 1.00 0.00 C ATOM 767 OG1 THR A 50 -1.963 18.288 -7.806 1.00 0.00 O ATOM 768 CG2 THR A 50 -0.565 18.446 -9.752 1.00 0.00 C ATOM 0 H THR A 50 -4.164 16.779 -9.150 1.00 0.00 H new ATOM 0 HA THR A 50 -3.153 19.490 -9.769 1.00 0.00 H new ATOM 0 HB THR A 50 -1.872 16.824 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.172 17.963 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.274 18.057 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.469 18.128 -10.790 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.564 19.535 -9.705 1.00 0.00 H new ATOM 776 N HIS A 51 -3.412 19.116 -12.271 1.00 0.00 N ATOM 777 CA HIS A 51 -3.494 18.974 -13.724 1.00 0.00 C ATOM 778 C HIS A 51 -2.152 19.302 -14.381 1.00 0.00 C ATOM 779 O HIS A 51 -1.435 20.190 -13.908 1.00 0.00 O ATOM 780 CB HIS A 51 -4.589 19.892 -14.289 1.00 0.00 C ATOM 781 CG HIS A 51 -5.993 19.528 -13.871 1.00 0.00 C ATOM 782 ND1 HIS A 51 -6.863 18.716 -14.567 1.00 0.00 N ATOM 783 CD2 HIS A 51 -6.667 19.989 -12.769 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.023 18.674 -13.888 1.00 0.00 C ATOM 785 NE2 HIS A 51 -7.957 19.443 -12.786 1.00 0.00 N ATOM 0 H HIS A 51 -3.663 20.050 -11.948 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.746 17.937 -13.948 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.384 20.915 -13.975 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.532 19.876 -15.377 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.272 20.657 -12.018 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.889 18.102 -14.186 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.697 19.597 -12.101 1.00 0.00 H new ATOM 793 N PHE A 52 -1.841 18.612 -15.481 1.00 0.00 N ATOM 794 CA PHE A 52 -0.730 18.880 -16.395 1.00 0.00 C ATOM 795 C PHE A 52 -1.048 18.237 -17.759 1.00 0.00 C ATOM 796 O PHE A 52 -2.153 17.731 -17.959 1.00 0.00 O ATOM 797 CB PHE A 52 0.599 18.392 -15.787 1.00 0.00 C ATOM 798 CG PHE A 52 0.656 16.975 -15.249 1.00 0.00 C ATOM 799 CD1 PHE A 52 0.222 16.724 -13.935 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.226 15.933 -16.007 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.358 15.448 -13.372 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.358 14.651 -15.439 1.00 0.00 C ATOM 803 CZ PHE A 52 0.933 14.411 -14.122 1.00 0.00 C ATOM 0 H PHE A 52 -2.391 17.804 -15.774 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.610 19.952 -16.552 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.372 18.492 -16.549 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.863 19.069 -14.975 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.220 17.521 -13.355 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.560 16.116 -17.018 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.021 15.263 -12.363 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.788 13.848 -16.019 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.049 13.429 -13.687 1.00 0.00 H new ATOM 813 N SER A 53 -0.108 18.256 -18.706 1.00 0.00 N ATOM 814 CA SER A 53 -0.277 17.720 -20.058 1.00 0.00 C ATOM 815 C SER A 53 1.042 17.106 -20.528 1.00 0.00 C ATOM 816 O SER A 53 2.115 17.592 -20.157 1.00 0.00 O ATOM 817 CB SER A 53 -0.732 18.821 -21.032 1.00 0.00 C ATOM 818 OG SER A 53 -1.923 19.459 -20.587 1.00 0.00 O ATOM 0 H SER A 53 0.817 18.656 -18.549 1.00 0.00 H new ATOM 0 HA SER A 53 -1.049 16.951 -20.039 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.060 19.562 -21.138 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.898 18.388 -22.018 1.00 0.00 H new ATOM 0 HG SER A 53 -2.182 20.153 -21.229 1.00 0.00 H new ATOM 824 N ILE A 54 0.967 16.042 -21.330 1.00 0.00 N ATOM 825 CA ILE A 54 2.103 15.313 -21.893 1.00 0.00 C ATOM 826 C ILE A 54 1.682 14.926 -23.312 1.00 0.00 C ATOM 827 O ILE A 54 0.570 14.427 -23.506 1.00 0.00 O ATOM 828 CB ILE A 54 2.450 14.073 -21.024 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.821 14.482 -19.580 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.603 13.258 -21.648 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.017 13.316 -18.612 1.00 0.00 C ATOM 0 H ILE A 54 0.071 15.648 -21.617 1.00 0.00 H new ATOM 0 HA ILE A 54 3.010 15.918 -21.911 1.00 0.00 H new ATOM 0 HB ILE A 54 1.558 13.448 -20.989 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.739 15.070 -19.609 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.038 15.132 -19.189 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.823 12.397 -21.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.311 12.915 -22.641 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.491 13.886 -21.727 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.274 13.701 -17.625 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.095 12.738 -18.547 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.822 12.675 -18.972 1.00 0.00 H new ATOM 843 N GLY A 55 2.551 15.144 -24.303 1.00 0.00 N ATOM 844 CA GLY A 55 2.199 14.914 -25.700 1.00 0.00 C ATOM 845 C GLY A 55 0.981 15.768 -26.064 1.00 0.00 C ATOM 846 O GLY A 55 0.943 16.960 -25.742 1.00 0.00 O ATOM 0 H GLY A 55 3.503 15.480 -24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.040 15.167 -26.345 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.979 13.859 -25.862 1.00 0.00 H new ATOM 850 N ASN A 56 -0.024 15.149 -26.689 1.00 0.00 N ATOM 851 CA ASN A 56 -1.307 15.772 -27.014 1.00 0.00 C ATOM 852 C ASN A 56 -2.414 15.274 -26.066 1.00 0.00 C ATOM 853 O ASN A 56 -3.559 15.078 -26.484 1.00 0.00 O ATOM 854 CB ASN A 56 -1.639 15.564 -28.502 1.00 0.00 C ATOM 855 CG ASN A 56 -2.815 16.425 -28.975 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.109 17.484 -28.420 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.490 16.018 -30.043 1.00 0.00 N ATOM 0 H ASN A 56 0.035 14.176 -26.990 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.237 16.848 -26.857 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.759 15.798 -29.102 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.872 14.513 -28.674 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.257 16.583 -30.408 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.242 15.140 -30.499 1.00 0.00 H new ATOM 864 N HIS A 57 -2.067 15.004 -24.802 1.00 0.00 N ATOM 865 CA HIS A 57 -2.959 14.426 -23.799 1.00 0.00 C ATOM 866 C HIS A 57 -2.874 15.254 -22.518 1.00 0.00 C ATOM 867 O HIS A 57 -1.792 15.727 -22.159 1.00 0.00 O ATOM 868 CB HIS A 57 -2.574 12.963 -23.515 1.00 0.00 C ATOM 869 CG HIS A 57 -2.315 12.136 -24.752 1.00 0.00 C ATOM 870 ND1 HIS A 57 -3.249 11.506 -25.544 1.00 0.00 N ATOM 871 CD2 HIS A 57 -1.089 11.909 -25.320 1.00 0.00 C ATOM 872 CE1 HIS A 57 -2.596 10.914 -26.560 1.00 0.00 C ATOM 873 NE2 HIS A 57 -1.271 11.135 -26.471 1.00 0.00 N ATOM 0 H HIS A 57 -1.131 15.188 -24.442 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.982 14.440 -24.175 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.681 12.950 -22.890 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.373 12.495 -22.940 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.142 12.267 -24.943 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.070 10.339 -27.342 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.548 10.806 -27.111 1.00 0.00 H new ATOM 881 N ASP A 58 -3.991 15.408 -21.807 1.00 0.00 N ATOM 882 CA ASP A 58 -3.989 15.983 -20.465 1.00 0.00 C ATOM 883 C ASP A 58 -3.895 14.859 -19.437 1.00 0.00 C ATOM 884 O ASP A 58 -4.311 13.721 -19.684 1.00 0.00 O ATOM 885 CB ASP A 58 -5.187 16.897 -20.195 1.00 0.00 C ATOM 886 CG ASP A 58 -6.402 16.133 -19.636 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.175 15.561 -20.442 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.603 16.134 -18.398 1.00 0.00 O ATOM 0 H ASP A 58 -4.916 15.139 -22.143 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.115 16.628 -20.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.895 17.674 -19.488 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.472 17.399 -21.120 1.00 0.00 H new ATOM 893 N CYS A 59 -3.328 15.186 -18.283 1.00 0.00 N ATOM 894 CA CYS A 59 -3.125 14.293 -17.161 1.00 0.00 C ATOM 895 C CYS A 59 -3.537 15.034 -15.898 1.00 0.00 C ATOM 896 O CYS A 59 -3.404 16.257 -15.831 1.00 0.00 O ATOM 897 CB CYS A 59 -1.645 13.914 -17.013 1.00 0.00 C ATOM 898 SG CYS A 59 -0.832 13.589 -18.604 1.00 0.00 S ATOM 0 H CYS A 59 -2.982 16.128 -18.100 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.710 13.387 -17.322 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.119 14.720 -16.501 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.564 13.029 -16.382 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.199 12.455 -18.544 1.00 0.00 H new ATOM 904 N TYR A 60 -3.979 14.320 -14.870 1.00 0.00 N ATOM 905 CA TYR A 60 -4.152 14.921 -13.569 1.00 0.00 C ATOM 906 C TYR A 60 -3.880 13.892 -12.492 1.00 0.00 C ATOM 907 O TYR A 60 -4.266 12.735 -12.635 1.00 0.00 O ATOM 908 CB TYR A 60 -5.512 15.617 -13.433 1.00 0.00 C ATOM 909 CG TYR A 60 -6.762 14.756 -13.430 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.114 14.009 -12.290 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.625 14.774 -14.544 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.310 13.274 -12.266 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.857 14.095 -14.500 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.208 13.343 -13.352 1.00 0.00 C ATOM 915 OH TYR A 60 -10.378 12.640 -13.300 1.00 0.00 O ATOM 0 H TYR A 60 -4.221 13.330 -14.919 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.421 15.720 -13.443 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.501 16.191 -12.506 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.603 16.333 -14.250 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.461 14.001 -11.430 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.339 15.312 -15.436 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.543 12.654 -11.413 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.534 14.147 -15.340 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.888 12.792 -14.123 1.00 0.00 H new ATOM 925 N ILE A 61 -3.225 14.285 -11.402 1.00 0.00 N ATOM 926 CA ILE A 61 -3.124 13.420 -10.239 1.00 0.00 C ATOM 927 C ILE A 61 -4.361 13.737 -9.415 1.00 0.00 C ATOM 928 O ILE A 61 -4.544 14.883 -8.997 1.00 0.00 O ATOM 929 CB ILE A 61 -1.794 13.609 -9.489 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.608 13.174 -10.379 1.00 0.00 C ATOM 931 CG2 ILE A 61 -1.791 12.799 -8.177 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.696 13.861 -9.963 1.00 0.00 C ATOM 0 H ILE A 61 -2.762 15.188 -11.304 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.102 12.362 -10.501 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.686 14.666 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.485 12.093 -10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.828 13.411 -11.420 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.842 12.946 -7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.607 13.137 -7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.922 11.741 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.506 13.529 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.582 14.942 -10.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.930 13.602 -8.930 1.00 0.00 H new ATOM 944 N LYS A 62 -5.216 12.737 -9.203 1.00 0.00 N ATOM 945 CA LYS A 62 -6.321 12.821 -8.269 1.00 0.00 C ATOM 946 C LYS A 62 -5.712 12.486 -6.917 1.00 0.00 C ATOM 947 O LYS A 62 -5.122 11.417 -6.770 1.00 0.00 O ATOM 948 CB LYS A 62 -7.425 11.837 -8.699 1.00 0.00 C ATOM 949 CG LYS A 62 -8.832 12.350 -8.367 1.00 0.00 C ATOM 950 CD LYS A 62 -9.900 11.376 -8.899 1.00 0.00 C ATOM 951 CE LYS A 62 -11.301 11.914 -8.568 1.00 0.00 C ATOM 952 NZ LYS A 62 -12.389 11.029 -9.067 1.00 0.00 N ATOM 0 H LYS A 62 -5.154 11.839 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.798 13.801 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.351 11.659 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.265 10.879 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.939 12.463 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.979 13.336 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.791 11.255 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.763 10.391 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.397 12.027 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.417 12.906 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.312 11.438 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.318 10.941 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.298 10.089 -8.632 1.00 0.00 H new ATOM 966 N ALA A 63 -5.805 13.400 -5.961 1.00 0.00 N ATOM 967 CA ALA A 63 -5.352 13.211 -4.602 1.00 0.00 C ATOM 968 C ALA A 63 -6.618 13.252 -3.756 1.00 0.00 C ATOM 969 O ALA A 63 -7.105 14.325 -3.412 1.00 0.00 O ATOM 970 CB ALA A 63 -4.335 14.297 -4.255 1.00 0.00 C ATOM 0 H ALA A 63 -6.212 14.321 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.832 12.268 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.990 14.159 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.486 14.231 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.802 15.277 -4.351 1.00 0.00 H new ATOM 976 N VAL A 64 -7.204 12.090 -3.505 1.00 0.00 N ATOM 977 CA VAL A 64 -8.519 11.930 -2.914 1.00 0.00 C ATOM 978 C VAL A 64 -8.390 11.894 -1.396 1.00 0.00 C ATOM 979 O VAL A 64 -7.679 11.038 -0.872 1.00 0.00 O ATOM 980 CB VAL A 64 -9.188 10.626 -3.419 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.708 10.787 -3.396 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.759 10.185 -4.829 1.00 0.00 C ATOM 0 H VAL A 64 -6.756 11.199 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.144 12.773 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.852 9.845 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.177 9.869 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.037 10.991 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.996 11.615 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.278 9.265 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.011 10.965 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.683 10.012 -4.844 1.00 0.00 H new ATOM 992 N SER A 65 -9.110 12.743 -0.671 1.00 0.00 N ATOM 993 CA SER A 65 -9.152 12.755 0.788 1.00 0.00 C ATOM 994 C SER A 65 -10.129 11.683 1.310 1.00 0.00 C ATOM 995 O SER A 65 -11.024 11.974 2.109 1.00 0.00 O ATOM 996 CB SER A 65 -9.463 14.179 1.278 1.00 0.00 C ATOM 997 OG SER A 65 -8.616 15.127 0.635 1.00 0.00 O ATOM 0 H SER A 65 -9.697 13.462 -1.093 1.00 0.00 H new ATOM 0 HA SER A 65 -8.179 12.487 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.507 14.419 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.327 14.236 2.358 1.00 0.00 H new ATOM 0 HG SER A 65 -8.829 16.028 0.957 1.00 0.00 H new ATOM 1003 N SER A 66 -9.989 10.454 0.813 1.00 0.00 N ATOM 1004 CA SER A 66 -10.807 9.306 1.175 1.00 0.00 C ATOM 1005 C SER A 66 -10.607 8.911 2.648 1.00 0.00 C ATOM 1006 O SER A 66 -9.576 9.216 3.256 1.00 0.00 O ATOM 1007 CB SER A 66 -10.452 8.137 0.247 1.00 0.00 C ATOM 1008 OG SER A 66 -10.660 8.498 -1.109 1.00 0.00 O ATOM 0 H SER A 66 -9.275 10.227 0.121 1.00 0.00 H new ATOM 0 HA SER A 66 -11.858 9.568 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.412 7.849 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.062 7.269 0.496 1.00 0.00 H new ATOM 0 HG SER A 66 -10.427 7.742 -1.688 1.00 0.00 H new ATOM 1014 N GLY A 67 -11.578 8.180 3.203 1.00 0.00 N ATOM 1015 CA GLY A 67 -11.520 7.659 4.564 1.00 0.00 C ATOM 1016 C GLY A 67 -11.796 8.751 5.599 1.00 0.00 C ATOM 1017 O GLY A 67 -12.616 9.649 5.370 1.00 0.00 O ATOM 0 H GLY A 67 -12.436 7.932 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.249 6.857 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.537 7.225 4.746 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.140 8.642 6.758 1.00 0.00 N ATOM 1022 CA LYS A 68 -11.290 9.573 7.883 1.00 0.00 C ATOM 1023 C LYS A 68 -10.603 10.913 7.570 1.00 0.00 C ATOM 1024 O LYS A 68 -9.958 11.074 6.533 1.00 0.00 O ATOM 1025 CB LYS A 68 -10.733 8.917 9.170 1.00 0.00 C ATOM 1026 CG LYS A 68 -11.386 7.575 9.557 1.00 0.00 C ATOM 1027 CD LYS A 68 -12.901 7.672 9.795 1.00 0.00 C ATOM 1028 CE LYS A 68 -13.439 6.322 10.296 1.00 0.00 C ATOM 1029 NZ LYS A 68 -14.902 6.360 10.558 1.00 0.00 N ATOM 0 H LYS A 68 -10.477 7.890 6.945 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.346 9.790 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.662 8.759 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.857 9.615 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.197 6.848 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.909 7.196 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.114 8.452 10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.406 7.954 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.225 5.551 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.916 6.041 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.219 5.428 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.106 7.077 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.406 6.602 9.681 1.00 0.00 H new ATOM 1043 N ARG A 69 -10.706 11.872 8.502 1.00 0.00 N ATOM 1044 CA ARG A 69 -10.076 13.193 8.370 1.00 0.00 C ATOM 1045 C ARG A 69 -8.543 13.134 8.465 1.00 0.00 C ATOM 1046 O ARG A 69 -7.881 14.113 8.113 1.00 0.00 O ATOM 1047 CB ARG A 69 -10.648 14.161 9.427 1.00 0.00 C ATOM 1048 CG ARG A 69 -12.170 14.397 9.358 1.00 0.00 C ATOM 1049 CD ARG A 69 -12.686 14.897 8.000 1.00 0.00 C ATOM 1050 NE ARG A 69 -12.100 16.197 7.622 1.00 0.00 N ATOM 1051 CZ ARG A 69 -12.317 16.852 6.471 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -13.118 16.339 5.537 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -11.726 18.025 6.258 1.00 0.00 N ATOM 0 H ARG A 69 -11.229 11.753 9.369 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.312 13.563 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.402 13.776 10.417 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.144 15.122 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.679 13.465 9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.446 15.122 10.124 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.454 14.159 7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.772 14.988 8.037 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.474 16.637 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.573 15.440 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.276 16.846 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.111 18.423 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.888 18.527 5.385 1.00 0.00 H new ATOM 1067 N LYS A 70 -7.966 12.020 8.941 1.00 0.00 N ATOM 1068 CA LYS A 70 -6.515 11.794 8.931 1.00 0.00 C ATOM 1069 C LYS A 70 -5.996 11.861 7.490 1.00 0.00 C ATOM 1070 O LYS A 70 -6.738 11.605 6.543 1.00 0.00 O ATOM 1071 CB LYS A 70 -6.205 10.457 9.636 1.00 0.00 C ATOM 1072 CG LYS A 70 -4.701 10.173 9.824 1.00 0.00 C ATOM 1073 CD LYS A 70 -4.071 9.242 8.767 1.00 0.00 C ATOM 1074 CE LYS A 70 -4.514 7.782 8.981 1.00 0.00 C ATOM 1075 NZ LYS A 70 -3.758 6.823 8.128 1.00 0.00 N ATOM 0 H LYS A 70 -8.496 11.248 9.345 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.992 12.573 9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.688 10.454 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.647 9.644 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.165 11.122 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.551 9.731 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.361 9.571 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.984 9.307 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.379 7.515 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.579 7.694 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.095 5.856 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.907 7.058 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.744 6.885 8.351 1.00 0.00 H new ATOM 1089 N GLU A 71 -4.707 12.166 7.318 1.00 0.00 N ATOM 1090 CA GLU A 71 -4.084 12.441 6.027 1.00 0.00 C ATOM 1091 C GLU A 71 -3.762 11.156 5.235 1.00 0.00 C ATOM 1092 O GLU A 71 -2.632 10.937 4.798 1.00 0.00 O ATOM 1093 CB GLU A 71 -2.881 13.387 6.205 1.00 0.00 C ATOM 1094 CG GLU A 71 -3.292 14.760 6.760 1.00 0.00 C ATOM 1095 CD GLU A 71 -2.079 15.703 6.884 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -1.391 15.678 7.934 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -1.811 16.486 5.939 1.00 0.00 O ATOM 0 H GLU A 71 -4.052 12.229 8.097 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.807 12.964 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.158 12.928 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.382 13.521 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.039 15.210 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.758 14.634 7.737 1.00 0.00 H new ATOM 1104 N GLY A 72 -4.765 10.294 5.033 1.00 0.00 N ATOM 1105 CA GLY A 72 -4.706 9.093 4.201 1.00 0.00 C ATOM 1106 C GLY A 72 -5.153 9.392 2.770 1.00 0.00 C ATOM 1107 O GLY A 72 -6.029 8.705 2.242 1.00 0.00 O ATOM 0 H GLY A 72 -5.680 10.423 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.689 8.702 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.342 8.318 4.630 1.00 0.00 H new ATOM 1111 N ILE A 73 -4.608 10.450 2.164 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.003 10.913 0.834 1.00 0.00 C ATOM 1113 C ILE A 73 -4.531 9.842 -0.165 1.00 0.00 C ATOM 1114 O ILE A 73 -3.358 9.458 -0.153 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.426 12.326 0.557 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.108 13.462 1.356 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -4.578 12.729 -0.917 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -5.014 13.372 2.874 1.00 0.00 C ATOM 0 H ILE A 73 -3.872 11.014 2.589 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.083 11.029 0.741 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.384 12.228 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.672 14.410 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.162 13.489 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.161 13.725 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.047 12.015 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.634 12.734 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.528 14.222 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.480 12.447 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.966 13.382 3.175 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.425 9.359 -1.033 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.118 8.364 -2.053 1.00 0.00 C ATOM 1132 C ILE A 74 -4.621 9.148 -3.260 1.00 0.00 C ATOM 1133 O ILE A 74 -5.324 10.049 -3.713 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.371 7.509 -2.357 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -6.896 6.781 -1.097 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.114 6.509 -3.501 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -5.941 5.761 -0.463 1.00 0.00 C ATOM 0 H ILE A 74 -6.400 9.658 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.354 7.654 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.148 8.200 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.146 7.531 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.822 6.269 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.017 5.927 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.842 7.053 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.301 5.839 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.414 5.314 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.708 4.981 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.021 6.262 -0.161 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.437 8.831 -3.784 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.898 9.498 -4.965 1.00 0.00 C ATOM 1151 C HIS A 75 -3.013 8.544 -6.152 1.00 0.00 C ATOM 1152 O HIS A 75 -2.509 7.420 -6.090 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.448 9.937 -4.721 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.334 11.074 -3.739 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.350 10.990 -2.363 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.214 12.400 -4.058 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.226 12.236 -1.873 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.141 13.132 -2.870 1.00 0.00 N ATOM 0 H HIS A 75 -2.828 8.107 -3.402 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.467 10.402 -5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.874 9.087 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.001 10.237 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.181 12.810 -5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.199 12.483 -0.822 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.043 14.143 -2.778 1.00 0.00 H new ATOM 1166 N THR A 76 -3.618 9.012 -7.244 1.00 0.00 N ATOM 1167 CA THR A 76 -3.753 8.266 -8.488 1.00 0.00 C ATOM 1168 C THR A 76 -3.439 9.196 -9.647 1.00 0.00 C ATOM 1169 O THR A 76 -3.849 10.352 -9.614 1.00 0.00 O ATOM 1170 CB THR A 76 -5.179 7.696 -8.638 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.682 7.203 -7.401 1.00 0.00 O ATOM 1172 CG2 THR A 76 -5.159 6.566 -9.665 1.00 0.00 C ATOM 0 H THR A 76 -4.036 9.941 -7.286 1.00 0.00 H new ATOM 0 HA THR A 76 -3.058 7.426 -8.481 1.00 0.00 H new ATOM 0 HB THR A 76 -5.835 8.501 -8.968 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.587 6.851 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.164 6.158 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.816 6.953 -10.625 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.483 5.780 -9.328 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.759 8.715 -10.686 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.597 9.468 -11.915 1.00 0.00 C ATOM 1182 C LEU A 77 -3.756 9.102 -12.828 1.00 0.00 C ATOM 1183 O LEU A 77 -4.047 7.927 -13.009 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.227 9.156 -12.534 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.994 9.773 -13.919 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.948 11.301 -13.844 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.320 9.253 -14.506 1.00 0.00 C ATOM 0 H LEU A 77 -2.310 7.799 -10.694 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.617 10.544 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.449 9.510 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.115 8.074 -12.610 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.826 9.484 -14.561 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.782 11.709 -14.841 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.894 11.675 -13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.136 11.609 -13.186 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.479 9.695 -15.490 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.145 9.525 -13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.273 8.168 -14.599 1.00 0.00 H new ATOM 1199 N ILE A 78 -4.428 10.088 -13.395 1.00 0.00 N ATOM 1200 CA ILE A 78 -5.410 9.946 -14.445 1.00 0.00 C ATOM 1201 C ILE A 78 -4.760 10.562 -15.690 1.00 0.00 C ATOM 1202 O ILE A 78 -4.078 11.585 -15.586 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.738 10.627 -14.036 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -7.655 9.724 -13.184 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -7.535 11.095 -15.259 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -7.062 9.357 -11.828 1.00 0.00 C ATOM 0 H ILE A 78 -4.293 11.060 -13.117 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.681 8.909 -14.643 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.434 11.481 -13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.608 10.231 -13.029 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.867 8.809 -13.738 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.461 11.568 -14.931 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.942 11.812 -15.827 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.769 10.238 -15.890 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.762 8.721 -11.285 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.124 8.822 -11.974 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.876 10.265 -11.254 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.974 9.977 -16.867 1.00 0.00 N ATOM 1219 CA VAL A 79 -4.512 10.495 -18.144 1.00 0.00 C ATOM 1220 C VAL A 79 -5.632 10.291 -19.148 1.00 0.00 C ATOM 1221 O VAL A 79 -6.197 9.200 -19.221 1.00 0.00 O ATOM 1222 CB VAL A 79 -3.204 9.810 -18.570 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -2.654 10.386 -19.884 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -2.150 9.952 -17.467 1.00 0.00 C ATOM 0 H VAL A 79 -5.491 9.102 -16.956 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.280 11.558 -18.076 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.429 8.756 -18.734 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.729 9.873 -20.147 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.387 10.244 -20.678 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.455 11.451 -19.760 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.228 9.463 -17.780 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.956 11.009 -17.283 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.516 9.486 -16.552 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.971 11.345 -19.895 1.00 0.00 N ATOM 1235 CA ASP A 80 -7.098 11.369 -20.832 1.00 0.00 C ATOM 1236 C ASP A 80 -8.373 10.783 -20.195 1.00 0.00 C ATOM 1237 O ASP A 80 -9.083 9.970 -20.786 1.00 0.00 O ATOM 1238 CB ASP A 80 -6.706 10.738 -22.173 1.00 0.00 C ATOM 1239 CG ASP A 80 -7.807 10.912 -23.234 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -8.309 12.047 -23.423 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -8.126 9.917 -23.926 1.00 0.00 O ATOM 0 H ASP A 80 -5.458 12.226 -19.865 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.351 12.405 -21.060 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.782 11.192 -22.531 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.505 9.676 -22.029 1.00 0.00 H new ATOM 1246 N ASN A 81 -8.618 11.171 -18.935 1.00 0.00 N ATOM 1247 CA ASN A 81 -9.722 10.749 -18.064 1.00 0.00 C ATOM 1248 C ASN A 81 -9.748 9.253 -17.689 1.00 0.00 C ATOM 1249 O ASN A 81 -10.691 8.804 -17.035 1.00 0.00 O ATOM 1250 CB ASN A 81 -11.072 11.260 -18.603 1.00 0.00 C ATOM 1251 CG ASN A 81 -12.168 11.267 -17.533 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.938 11.653 -16.387 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -13.389 10.892 -17.883 1.00 0.00 N ATOM 0 H ASN A 81 -8.004 11.836 -18.465 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.529 11.230 -17.105 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.944 12.269 -18.994 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -11.387 10.633 -19.437 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.147 10.922 -17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -13.572 10.573 -18.835 1.00 0.00 H new ATOM 1260 N ARG A 82 -8.727 8.462 -18.048 1.00 0.00 N ATOM 1261 CA ARG A 82 -8.556 7.072 -17.658 1.00 0.00 C ATOM 1262 C ARG A 82 -7.577 6.976 -16.498 1.00 0.00 C ATOM 1263 O ARG A 82 -6.664 7.789 -16.389 1.00 0.00 O ATOM 1264 CB ARG A 82 -8.074 6.279 -18.881 1.00 0.00 C ATOM 1265 CG ARG A 82 -9.261 5.827 -19.732 1.00 0.00 C ATOM 1266 CD ARG A 82 -10.001 6.845 -20.615 1.00 0.00 C ATOM 1267 NE ARG A 82 -9.230 7.284 -21.792 1.00 0.00 N ATOM 1268 CZ ARG A 82 -9.042 6.600 -22.932 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -9.448 5.335 -23.060 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.444 7.191 -23.958 1.00 0.00 N ATOM 0 H ARG A 82 -7.970 8.796 -18.644 1.00 0.00 H new ATOM 0 HA ARG A 82 -9.501 6.648 -17.318 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.404 6.896 -19.480 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.502 5.410 -18.555 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.908 5.028 -20.384 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.996 5.387 -19.057 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.940 6.405 -20.951 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.255 7.717 -20.013 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.793 8.204 -21.734 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.912 4.867 -22.282 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.294 4.836 -23.936 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.131 8.158 -23.878 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.297 6.678 -24.827 1.00 0.00 H new ATOM 1284 N GLU A 83 -7.765 5.994 -15.624 1.00 0.00 N ATOM 1285 CA GLU A 83 -7.022 5.863 -14.383 1.00 0.00 C ATOM 1286 C GLU A 83 -5.770 5.002 -14.594 1.00 0.00 C ATOM 1287 O GLU A 83 -5.835 3.964 -15.257 1.00 0.00 O ATOM 1288 CB GLU A 83 -7.981 5.321 -13.319 1.00 0.00 C ATOM 1289 CG GLU A 83 -7.313 5.167 -11.957 1.00 0.00 C ATOM 1290 CD GLU A 83 -8.315 4.657 -10.903 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -9.032 5.483 -10.290 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -8.382 3.423 -10.680 1.00 0.00 O ATOM 0 H GLU A 83 -8.452 5.254 -15.764 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.647 6.826 -14.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.835 5.992 -13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.368 4.355 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.477 4.472 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.902 6.125 -11.639 1.00 0.00 H new ATOM 1299 N ILE A 84 -4.646 5.433 -14.013 1.00 0.00 N ATOM 1300 CA ILE A 84 -3.321 4.836 -14.121 1.00 0.00 C ATOM 1301 C ILE A 84 -2.887 4.442 -12.691 1.00 0.00 C ATOM 1302 O ILE A 84 -2.687 5.330 -11.854 1.00 0.00 O ATOM 1303 CB ILE A 84 -2.332 5.839 -14.777 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -2.843 6.508 -16.073 1.00 0.00 C ATOM 1305 CG2 ILE A 84 -0.963 5.190 -15.030 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -3.218 5.553 -17.209 1.00 0.00 C ATOM 0 H ILE A 84 -4.643 6.261 -13.418 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.330 3.952 -14.759 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.236 6.640 -14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.716 7.113 -15.828 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.074 7.190 -16.435 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.295 5.918 -15.490 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.539 4.855 -14.084 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.083 4.336 -15.697 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.563 6.128 -18.068 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.345 4.965 -17.493 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.013 4.886 -16.876 1.00 0.00 H new ATOM 1318 N PRO A 85 -2.746 3.143 -12.374 1.00 0.00 N ATOM 1319 CA PRO A 85 -2.311 2.686 -11.056 1.00 0.00 C ATOM 1320 C PRO A 85 -0.802 2.909 -10.867 1.00 0.00 C ATOM 1321 O PRO A 85 -0.030 2.820 -11.825 1.00 0.00 O ATOM 1322 CB PRO A 85 -2.694 1.203 -10.999 1.00 0.00 C ATOM 1323 CG PRO A 85 -2.615 0.764 -12.461 1.00 0.00 C ATOM 1324 CD PRO A 85 -3.068 2.008 -13.227 1.00 0.00 C ATOM 0 HA PRO A 85 -2.785 3.242 -10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.009 0.634 -10.370 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.694 1.061 -10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.603 0.467 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.263 -0.089 -12.660 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.556 2.083 -14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.137 1.969 -13.438 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.381 3.196 -9.628 1.00 0.00 N ATOM 1333 CA GLU A 86 1.028 3.352 -9.257 1.00 0.00 C ATOM 1334 C GLU A 86 1.794 2.033 -9.480 1.00 0.00 C ATOM 1335 O GLU A 86 1.198 0.958 -9.629 1.00 0.00 O ATOM 1336 CB GLU A 86 1.153 3.904 -7.831 1.00 0.00 C ATOM 1337 CG GLU A 86 1.030 2.856 -6.726 1.00 0.00 C ATOM 1338 CD GLU A 86 1.039 3.519 -5.335 1.00 0.00 C ATOM 1339 OE1 GLU A 86 0.127 4.330 -5.043 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.957 3.233 -4.529 1.00 0.00 O ATOM 0 H GLU A 86 -1.021 3.328 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 86 1.497 4.090 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.117 4.404 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.384 4.662 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.108 2.290 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.853 2.146 -6.800 1.00 0.00 H new ATOM 1347 N ILE A 87 3.124 2.121 -9.500 1.00 0.00 N ATOM 1348 CA ILE A 87 4.006 0.998 -9.798 1.00 0.00 C ATOM 1349 C ILE A 87 3.948 -0.078 -8.702 1.00 0.00 C ATOM 1350 O ILE A 87 3.676 0.213 -7.533 1.00 0.00 O ATOM 1351 CB ILE A 87 5.446 1.492 -10.059 1.00 0.00 C ATOM 1352 CG1 ILE A 87 6.004 2.345 -8.908 1.00 0.00 C ATOM 1353 CG2 ILE A 87 5.509 2.228 -11.411 1.00 0.00 C ATOM 1354 CD1 ILE A 87 7.535 2.448 -8.932 1.00 0.00 C ATOM 0 H ILE A 87 3.624 2.989 -9.306 1.00 0.00 H new ATOM 0 HA ILE A 87 3.652 0.522 -10.712 1.00 0.00 H new ATOM 0 HB ILE A 87 6.095 0.617 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.576 3.346 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.688 1.915 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.527 2.574 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.211 1.548 -12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.833 3.083 -11.392 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.872 3.062 -8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.968 1.451 -8.848 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.854 2.904 -9.869 1.00 0.00 H new ATOM 1366 N ALA A 88 4.245 -1.322 -9.095 1.00 0.00 N ATOM 1367 CA ALA A 88 4.257 -2.499 -8.225 1.00 0.00 C ATOM 1368 C ALA A 88 5.582 -3.271 -8.332 1.00 0.00 C ATOM 1369 O ALA A 88 5.637 -4.490 -8.125 1.00 0.00 O ATOM 1370 CB ALA A 88 3.041 -3.368 -8.548 1.00 0.00 C ATOM 0 H ALA A 88 4.492 -1.542 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 88 4.187 -2.182 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.041 -4.248 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.129 -2.795 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.084 -3.681 -9.591 1.00 0.00 H new ATOM 1376 N SER A 89 6.633 -2.549 -8.706 1.00 0.00 N ATOM 1377 CA SER A 89 7.994 -3.049 -8.860 1.00 0.00 C ATOM 1378 C SER A 89 8.510 -3.588 -7.521 1.00 0.00 C ATOM 1379 O SER A 89 9.145 -4.667 -7.515 1.00 0.00 O ATOM 1380 CB SER A 89 8.905 -1.933 -9.385 1.00 0.00 C ATOM 1381 OG SER A 89 8.310 -1.280 -10.509 1.00 0.00 O ATOM 1382 OXT SER A 89 8.286 -2.932 -6.475 1.00 0.00 O ATOM 0 H SER A 89 6.556 -1.555 -8.920 1.00 0.00 H new ATOM 0 HA SER A 89 7.997 -3.865 -9.583 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.092 -1.207 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.871 -2.350 -9.670 1.00 0.00 H new ATOM 0 HG SER A 89 8.906 -0.570 -10.828 1.00 0.00 H new TER 1388 SER A 89