USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 2 GLN : amide:sc= -0.37 K(o=-0.024,f=1.5) USER MOD Set 1.2: A 122 TYR OH : rot 81:sc= 0.346 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 40:sc= -0.559 USER MOD Single : A 31 THR OG1 : rot 130:sc= 0.285 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.915 K(o=-0.91,f=-3!) USER MOD Single : A 37 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.5) USER MOD Single : A 45 SER OG : rot 81:sc= 0.0719 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -1.33 (180deg=-2.49!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 53 SER OG : rot 180:sc= -0.814 USER MOD Single : A 57 MET CE :methyl 151:sc= -0.143 (180deg=-0.348) USER MOD Single : A 60 MET CE :methyl -152:sc= -0.57 (180deg=-0.693) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc=-0.00684 (180deg=-0.225) USER MOD Single : A 68 GLN : amide:sc= -5.52! C(o=-5.5!,f=-6!) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -0.712 (180deg=-2.99!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -3.94 K(o=-3.9,f=-5.8) USER MOD Single : A 75 MET CE :methyl -134:sc= -0.37 (180deg=-1.93) USER MOD Single : A 81 MET CE :methyl -140:sc= -5.28! (180deg=-8.75!) USER MOD Single : A 82 THR OG1 : rot 40:sc= -1.14 USER MOD Single : A 84 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -129:sc= -2.25! USER MOD Single : A 95 GLN : amide:sc=-0.00196 X(o=-0.002,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 101 TYR OH : rot -116:sc= -2.95! USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= -0.772 (180deg=-0.781) USER MOD Single : A 120 SER OG : rot 86:sc= 0.996 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.948 -4.603 -4.841 1.00 41.20 N ATOM 2 CA MET A 1 0.396 -4.043 -4.922 1.00 64.44 C ATOM 3 C MET A 1 1.426 -5.020 -4.364 1.00 24.13 C ATOM 4 O MET A 1 1.263 -5.545 -3.263 1.00 11.14 O ATOM 5 CB MET A 1 0.467 -2.718 -4.161 1.00 64.30 C ATOM 6 CG MET A 1 1.790 -1.989 -4.332 1.00 61.14 C ATOM 7 SD MET A 1 1.765 -0.818 -5.703 1.00 10.21 S ATOM 8 CE MET A 1 3.269 0.103 -5.389 1.00 60.21 C ATOM 0 H1 MET A 1 -1.632 -3.921 -5.226 1.00 41.20 H new ATOM 0 H2 MET A 1 -0.991 -5.484 -5.391 1.00 41.20 H new ATOM 0 H3 MET A 1 -1.181 -4.804 -3.848 1.00 41.20 H new ATOM 0 HA MET A 1 0.625 -3.862 -5.972 1.00 64.44 H new ATOM 0 HB2 MET A 1 -0.342 -2.070 -4.499 1.00 64.30 H new ATOM 0 HB3 MET A 1 0.301 -2.908 -3.101 1.00 64.30 H new ATOM 0 HG2 MET A 1 2.030 -1.459 -3.410 1.00 61.14 H new ATOM 0 HG3 MET A 1 2.584 -2.718 -4.496 1.00 61.14 H new ATOM 0 HE1 MET A 1 3.394 0.868 -6.155 1.00 60.21 H new ATOM 0 HE2 MET A 1 3.207 0.577 -4.410 1.00 60.21 H new ATOM 0 HE3 MET A 1 4.122 -0.575 -5.411 1.00 60.21 H new ATOM 18 N GLN A 2 2.486 -5.259 -5.130 1.00 53.21 N ATOM 19 CA GLN A 2 3.541 -6.173 -4.711 1.00 31.54 C ATOM 20 C GLN A 2 4.327 -5.596 -3.538 1.00 64.34 C ATOM 21 O GLN A 2 5.365 -4.961 -3.727 1.00 61.21 O ATOM 22 CB GLN A 2 4.485 -6.467 -5.878 1.00 54.33 C ATOM 23 CG GLN A 2 5.497 -7.561 -5.582 1.00 61.31 C ATOM 24 CD GLN A 2 6.857 -7.278 -6.188 1.00 43.43 C ATOM 25 OE1 GLN A 2 7.886 -7.412 -5.525 1.00 12.44 O ATOM 26 NE2 GLN A 2 6.870 -6.883 -7.456 1.00 60.22 N ATOM 0 H GLN A 2 2.636 -4.832 -6.044 1.00 53.21 H new ATOM 0 HA GLN A 2 3.073 -7.103 -4.389 1.00 31.54 H new ATOM 0 HB2 GLN A 2 3.895 -6.755 -6.748 1.00 54.33 H new ATOM 0 HB3 GLN A 2 5.017 -5.553 -6.143 1.00 54.33 H new ATOM 0 HG2 GLN A 2 5.601 -7.672 -4.503 1.00 61.31 H new ATOM 0 HG3 GLN A 2 5.123 -8.510 -5.966 1.00 61.31 H new ATOM 0 HE21 GLN A 2 5.994 -6.785 -7.969 1.00 60.22 H new ATOM 0 HE22 GLN A 2 7.756 -6.678 -7.917 1.00 60.22 H new ATOM 35 N ARG A 3 3.826 -5.821 -2.328 1.00 64.01 N ATOM 36 CA ARG A 3 4.481 -5.322 -1.125 1.00 45.22 C ATOM 37 C ARG A 3 3.836 -5.907 0.128 1.00 43.42 C ATOM 38 O ARG A 3 2.627 -5.797 0.325 1.00 51.33 O ATOM 39 CB ARG A 3 4.416 -3.794 -1.080 1.00 22.12 C ATOM 40 CG ARG A 3 4.390 -3.227 0.330 1.00 32.22 C ATOM 41 CD ARG A 3 5.583 -3.702 1.144 1.00 22.41 C ATOM 42 NE ARG A 3 6.375 -2.587 1.657 1.00 71.51 N ATOM 43 CZ ARG A 3 7.282 -1.937 0.936 1.00 32.42 C ATOM 44 NH1 ARG A 3 7.510 -2.289 -0.322 1.00 22.14 N ATOM 45 NH2 ARG A 3 7.962 -0.933 1.473 1.00 2.24 N ATOM 0 H ARG A 3 2.969 -6.346 -2.155 1.00 64.01 H new ATOM 0 HA ARG A 3 5.525 -5.634 -1.154 1.00 45.22 H new ATOM 0 HB2 ARG A 3 5.276 -3.386 -1.611 1.00 22.12 H new ATOM 0 HB3 ARG A 3 3.526 -3.461 -1.613 1.00 22.12 H new ATOM 0 HG2 ARG A 3 4.389 -2.138 0.285 1.00 32.22 H new ATOM 0 HG3 ARG A 3 3.467 -3.526 0.827 1.00 32.22 H new ATOM 0 HD2 ARG A 3 5.234 -4.312 1.977 1.00 22.41 H new ATOM 0 HD3 ARG A 3 6.214 -4.340 0.525 1.00 22.41 H new ATOM 0 HE ARG A 3 6.223 -2.291 2.621 1.00 71.51 H new ATOM 0 HH11 ARG A 3 6.988 -3.060 -0.738 1.00 22.14 H new ATOM 0 HH12 ARG A 3 8.207 -1.788 -0.873 1.00 22.14 H new ATOM 0 HH21 ARG A 3 7.789 -0.659 2.440 1.00 2.24 H new ATOM 0 HH22 ARG A 3 8.658 -0.434 0.919 1.00 2.24 H new ATOM 59 N GLY A 4 4.653 -6.529 0.972 1.00 30.44 N ATOM 60 CA GLY A 4 4.144 -7.123 2.195 1.00 51.20 C ATOM 61 C GLY A 4 3.186 -8.267 1.929 1.00 62.21 C ATOM 62 O GLY A 4 2.398 -8.640 2.798 1.00 30.42 O ATOM 0 H GLY A 4 5.658 -6.632 0.831 1.00 30.44 H new ATOM 0 HA2 GLY A 4 4.979 -7.485 2.795 1.00 51.20 H new ATOM 0 HA3 GLY A 4 3.637 -6.358 2.783 1.00 51.20 H new ATOM 66 N ILE A 5 3.253 -8.824 0.724 1.00 34.34 N ATOM 67 CA ILE A 5 2.384 -9.932 0.347 1.00 70.22 C ATOM 68 C ILE A 5 2.901 -11.252 0.909 1.00 71.23 C ATOM 69 O ILE A 5 3.874 -11.814 0.407 1.00 64.32 O ATOM 70 CB ILE A 5 2.258 -10.053 -1.183 1.00 43.34 C ATOM 71 CG1 ILE A 5 1.610 -8.794 -1.764 1.00 65.25 C ATOM 72 CG2 ILE A 5 1.452 -11.289 -1.553 1.00 0.11 C ATOM 73 CD1 ILE A 5 1.492 -8.817 -3.272 1.00 41.33 C ATOM 0 H ILE A 5 3.899 -8.526 -0.007 1.00 34.34 H new ATOM 0 HA ILE A 5 1.402 -9.720 0.769 1.00 70.22 H new ATOM 0 HB ILE A 5 3.257 -10.155 -1.608 1.00 43.34 H new ATOM 0 HG12 ILE A 5 0.617 -8.674 -1.332 1.00 65.25 H new ATOM 0 HG13 ILE A 5 2.195 -7.924 -1.466 1.00 65.25 H new ATOM 0 HG21 ILE A 5 1.372 -11.360 -2.638 1.00 0.11 H new ATOM 0 HG22 ILE A 5 1.951 -12.178 -1.167 1.00 0.11 H new ATOM 0 HG23 ILE A 5 0.454 -11.216 -1.120 1.00 0.11 H new ATOM 0 HD11 ILE A 5 1.024 -7.894 -3.614 1.00 41.33 H new ATOM 0 HD12 ILE A 5 2.485 -8.906 -3.713 1.00 41.33 H new ATOM 0 HD13 ILE A 5 0.882 -9.668 -3.576 1.00 41.33 H new ATOM 85 N VAL A 6 2.241 -11.743 1.953 1.00 23.40 N ATOM 86 CA VAL A 6 2.632 -12.999 2.582 1.00 32.41 C ATOM 87 C VAL A 6 1.617 -14.099 2.290 1.00 64.25 C ATOM 88 O VAL A 6 0.433 -13.962 2.594 1.00 54.53 O ATOM 89 CB VAL A 6 2.776 -12.842 4.107 1.00 23.04 C ATOM 90 CG1 VAL A 6 3.069 -14.186 4.758 1.00 52.43 C ATOM 91 CG2 VAL A 6 3.865 -11.832 4.438 1.00 62.34 C ATOM 0 H VAL A 6 1.433 -11.290 2.381 1.00 23.40 H new ATOM 0 HA VAL A 6 3.598 -13.277 2.160 1.00 32.41 H new ATOM 0 HB VAL A 6 1.833 -12.470 4.507 1.00 23.04 H new ATOM 0 HG11 VAL A 6 3.167 -14.055 5.836 1.00 52.43 H new ATOM 0 HG12 VAL A 6 2.252 -14.877 4.550 1.00 52.43 H new ATOM 0 HG13 VAL A 6 3.998 -14.590 4.356 1.00 52.43 H new ATOM 0 HG21 VAL A 6 3.953 -11.733 5.520 1.00 62.34 H new ATOM 0 HG22 VAL A 6 4.815 -12.173 4.026 1.00 62.34 H new ATOM 0 HG23 VAL A 6 3.608 -10.865 4.005 1.00 62.34 H new ATOM 101 N TRP A 7 2.090 -15.190 1.698 1.00 24.12 N ATOM 102 CA TRP A 7 1.224 -16.315 1.365 1.00 61.14 C ATOM 103 C TRP A 7 1.349 -17.425 2.403 1.00 40.13 C ATOM 104 O TRP A 7 2.434 -17.962 2.624 1.00 44.00 O ATOM 105 CB TRP A 7 1.569 -16.857 -0.023 1.00 62.15 C ATOM 106 CG TRP A 7 1.093 -15.977 -1.140 1.00 24.43 C ATOM 107 CD1 TRP A 7 0.461 -14.773 -1.021 1.00 53.12 C ATOM 108 CD2 TRP A 7 1.211 -16.235 -2.543 1.00 54.12 C ATOM 109 NE1 TRP A 7 0.178 -14.266 -2.267 1.00 34.13 N ATOM 110 CE2 TRP A 7 0.628 -15.144 -3.217 1.00 42.51 C ATOM 111 CE3 TRP A 7 1.753 -17.280 -3.296 1.00 54.23 C ATOM 112 CZ2 TRP A 7 0.573 -15.071 -4.606 1.00 53.44 C ATOM 113 CZ3 TRP A 7 1.696 -17.206 -4.675 1.00 64.00 C ATOM 114 CH2 TRP A 7 1.111 -16.108 -5.319 1.00 11.34 C ATOM 0 H TRP A 7 3.068 -15.319 1.439 1.00 24.12 H new ATOM 0 HA TRP A 7 0.194 -15.960 1.363 1.00 61.14 H new ATOM 0 HB2 TRP A 7 2.650 -16.977 -0.100 1.00 62.15 H new ATOM 0 HB3 TRP A 7 1.129 -17.848 -0.138 1.00 62.15 H new ATOM 0 HD1 TRP A 7 0.219 -14.290 -0.086 1.00 53.12 H new ATOM 0 HE1 TRP A 7 -0.291 -13.380 -2.454 1.00 34.13 H new ATOM 0 HE3 TRP A 7 2.208 -18.130 -2.809 1.00 54.23 H new ATOM 0 HZ2 TRP A 7 0.122 -14.226 -5.104 1.00 53.44 H new ATOM 0 HZ3 TRP A 7 2.110 -18.009 -5.267 1.00 64.00 H new ATOM 0 HH2 TRP A 7 1.084 -16.079 -6.398 1.00 11.34 H new ATOM 125 N VAL A 8 0.231 -17.765 3.037 1.00 4.52 N ATOM 126 CA VAL A 8 0.216 -18.812 4.051 1.00 2.14 C ATOM 127 C VAL A 8 -0.422 -20.088 3.514 1.00 13.22 C ATOM 128 O VAL A 8 -1.326 -20.039 2.680 1.00 41.15 O ATOM 129 CB VAL A 8 -0.545 -18.361 5.312 1.00 32.32 C ATOM 130 CG1 VAL A 8 -0.564 -19.472 6.351 1.00 64.43 C ATOM 131 CG2 VAL A 8 0.075 -17.096 5.885 1.00 52.55 C ATOM 0 H VAL A 8 -0.676 -17.330 2.866 1.00 4.52 H new ATOM 0 HA VAL A 8 1.254 -19.012 4.315 1.00 2.14 H new ATOM 0 HB VAL A 8 -1.575 -18.139 5.033 1.00 32.32 H new ATOM 0 HG11 VAL A 8 -1.106 -19.135 7.235 1.00 64.43 H new ATOM 0 HG12 VAL A 8 -1.058 -20.350 5.936 1.00 64.43 H new ATOM 0 HG13 VAL A 8 0.458 -19.728 6.628 1.00 64.43 H new ATOM 0 HG21 VAL A 8 -0.476 -16.792 6.775 1.00 52.55 H new ATOM 0 HG22 VAL A 8 1.115 -17.288 6.149 1.00 52.55 H new ATOM 0 HG23 VAL A 8 0.031 -16.300 5.142 1.00 52.55 H new ATOM 141 N VAL A 9 0.053 -21.230 3.999 1.00 22.51 N ATOM 142 CA VAL A 9 -0.472 -22.521 3.569 1.00 12.22 C ATOM 143 C VAL A 9 -0.498 -23.516 4.724 1.00 65.12 C ATOM 144 O VAL A 9 0.250 -24.494 4.730 1.00 32.40 O ATOM 145 CB VAL A 9 0.361 -23.110 2.416 1.00 65.20 C ATOM 146 CG1 VAL A 9 1.809 -23.296 2.844 1.00 22.21 C ATOM 147 CG2 VAL A 9 -0.237 -24.427 1.945 1.00 32.12 C ATOM 0 H VAL A 9 0.801 -21.288 4.690 1.00 22.51 H new ATOM 0 HA VAL A 9 -1.490 -22.348 3.220 1.00 12.22 H new ATOM 0 HB VAL A 9 0.341 -22.409 1.582 1.00 65.20 H new ATOM 0 HG11 VAL A 9 2.382 -23.713 2.016 1.00 22.21 H new ATOM 0 HG12 VAL A 9 2.231 -22.332 3.128 1.00 22.21 H new ATOM 0 HG13 VAL A 9 1.852 -23.976 3.695 1.00 22.21 H new ATOM 0 HG21 VAL A 9 0.365 -24.829 1.130 1.00 32.12 H new ATOM 0 HG22 VAL A 9 -0.249 -25.137 2.772 1.00 32.12 H new ATOM 0 HG23 VAL A 9 -1.256 -24.260 1.596 1.00 32.12 H new ATOM 157 N ASP A 10 -1.362 -23.260 5.699 1.00 33.21 N ATOM 158 CA ASP A 10 -1.487 -24.135 6.859 1.00 2.35 C ATOM 159 C ASP A 10 -2.733 -25.008 6.751 1.00 52.42 C ATOM 160 O ASP A 10 -3.510 -24.882 5.804 1.00 34.12 O ATOM 161 CB ASP A 10 -1.539 -23.308 8.145 1.00 41.50 C ATOM 162 CG ASP A 10 -2.656 -22.282 8.129 1.00 63.41 C ATOM 163 OD1 ASP A 10 -3.808 -22.665 7.837 1.00 53.43 O ATOM 164 OD2 ASP A 10 -2.377 -21.098 8.409 1.00 13.04 O ATOM 0 H ASP A 10 -1.987 -22.454 5.710 1.00 33.21 H new ATOM 0 HA ASP A 10 -0.612 -24.785 6.888 1.00 2.35 H new ATOM 0 HB2 ASP A 10 -1.674 -23.974 8.997 1.00 41.50 H new ATOM 0 HB3 ASP A 10 -0.585 -22.800 8.286 1.00 41.50 H new ATOM 169 N ASP A 11 -2.916 -25.892 7.725 1.00 74.12 N ATOM 170 CA ASP A 11 -4.068 -26.786 7.739 1.00 72.42 C ATOM 171 C ASP A 11 -4.991 -26.466 8.910 1.00 10.54 C ATOM 172 O ASP A 11 -5.792 -27.301 9.329 1.00 33.13 O ATOM 173 CB ASP A 11 -3.609 -28.243 7.819 1.00 21.03 C ATOM 174 CG ASP A 11 -4.048 -29.056 6.617 1.00 44.31 C ATOM 175 OD1 ASP A 11 -5.253 -29.365 6.518 1.00 12.13 O ATOM 176 OD2 ASP A 11 -3.185 -29.383 5.775 1.00 70.10 O ATOM 0 H ASP A 11 -2.282 -26.009 8.515 1.00 74.12 H new ATOM 0 HA ASP A 11 -4.622 -26.638 6.812 1.00 72.42 H new ATOM 0 HB2 ASP A 11 -2.522 -28.275 7.898 1.00 21.03 H new ATOM 0 HB3 ASP A 11 -4.008 -28.697 8.726 1.00 21.03 H new ATOM 181 N ASP A 12 -4.872 -25.251 9.435 1.00 23.13 N ATOM 182 CA ASP A 12 -5.695 -24.820 10.559 1.00 50.50 C ATOM 183 C ASP A 12 -6.255 -23.422 10.317 1.00 55.54 C ATOM 184 O ASP A 12 -5.623 -22.593 9.662 1.00 25.12 O ATOM 185 CB ASP A 12 -4.880 -24.838 11.853 1.00 61.40 C ATOM 186 CG ASP A 12 -5.196 -26.042 12.719 1.00 52.10 C ATOM 187 OD1 ASP A 12 -5.318 -27.155 12.166 1.00 34.33 O ATOM 188 OD2 ASP A 12 -5.321 -25.871 13.949 1.00 3.45 O ATOM 0 H ASP A 12 -4.214 -24.548 9.100 1.00 23.13 H new ATOM 0 HA ASP A 12 -6.529 -25.516 10.654 1.00 50.50 H new ATOM 0 HB2 ASP A 12 -3.817 -24.838 11.610 1.00 61.40 H new ATOM 0 HB3 ASP A 12 -5.078 -23.926 12.417 1.00 61.40 H new ATOM 193 N SER A 13 -7.447 -23.167 10.848 1.00 51.13 N ATOM 194 CA SER A 13 -8.095 -21.871 10.685 1.00 54.10 C ATOM 195 C SER A 13 -7.448 -20.823 11.585 1.00 10.11 C ATOM 196 O SER A 13 -7.035 -19.760 11.121 1.00 31.03 O ATOM 197 CB SER A 13 -9.588 -21.980 11.002 1.00 30.22 C ATOM 198 OG SER A 13 -10.365 -21.273 10.051 1.00 4.43 O ATOM 0 H SER A 13 -7.983 -23.841 11.395 1.00 51.13 H new ATOM 0 HA SER A 13 -7.973 -21.559 9.648 1.00 54.10 H new ATOM 0 HB2 SER A 13 -9.885 -23.029 11.011 1.00 30.22 H new ATOM 0 HB3 SER A 13 -9.781 -21.585 11.999 1.00 30.22 H new ATOM 0 HG SER A 13 -11.315 -21.360 10.275 1.00 4.43 H new ATOM 204 N SER A 14 -7.363 -21.131 12.875 1.00 13.03 N ATOM 205 CA SER A 14 -6.770 -20.215 13.843 1.00 70.14 C ATOM 206 C SER A 14 -5.310 -19.935 13.501 1.00 63.22 C ATOM 207 O SER A 14 -4.740 -18.935 13.938 1.00 65.13 O ATOM 208 CB SER A 14 -6.873 -20.794 15.255 1.00 71.32 C ATOM 209 OG SER A 14 -8.219 -20.819 15.699 1.00 64.11 O ATOM 0 H SER A 14 -7.697 -22.008 13.274 1.00 13.03 H new ATOM 0 HA SER A 14 -7.322 -19.276 13.803 1.00 70.14 H new ATOM 0 HB2 SER A 14 -6.464 -21.804 15.268 1.00 71.32 H new ATOM 0 HB3 SER A 14 -6.271 -20.197 15.941 1.00 71.32 H new ATOM 0 HG SER A 14 -8.258 -21.195 16.603 1.00 64.11 H new ATOM 215 N ILE A 15 -4.711 -20.826 12.717 1.00 0.32 N ATOM 216 CA ILE A 15 -3.318 -20.675 12.316 1.00 41.34 C ATOM 217 C ILE A 15 -3.184 -19.700 11.151 1.00 53.14 C ATOM 218 O ILE A 15 -2.260 -18.887 11.111 1.00 75.11 O ATOM 219 CB ILE A 15 -2.698 -22.026 11.913 1.00 34.13 C ATOM 220 CG1 ILE A 15 -2.670 -22.976 13.112 1.00 31.13 C ATOM 221 CG2 ILE A 15 -1.296 -21.822 11.359 1.00 13.11 C ATOM 222 CD1 ILE A 15 -1.781 -22.500 14.240 1.00 52.23 C ATOM 0 H ILE A 15 -5.169 -21.659 12.347 1.00 0.32 H new ATOM 0 HA ILE A 15 -2.782 -20.282 13.180 1.00 41.34 H new ATOM 0 HB ILE A 15 -3.314 -22.473 11.133 1.00 34.13 H new ATOM 0 HG12 ILE A 15 -3.685 -23.102 13.489 1.00 31.13 H new ATOM 0 HG13 ILE A 15 -2.329 -23.957 12.780 1.00 31.13 H new ATOM 0 HG21 ILE A 15 -0.872 -22.786 11.079 1.00 13.11 H new ATOM 0 HG22 ILE A 15 -1.342 -21.177 10.482 1.00 13.11 H new ATOM 0 HG23 ILE A 15 -0.669 -21.357 12.119 1.00 13.11 H new ATOM 0 HD11 ILE A 15 -1.810 -23.222 15.056 1.00 52.23 H new ATOM 0 HD12 ILE A 15 -0.757 -22.401 13.879 1.00 52.23 H new ATOM 0 HD13 ILE A 15 -2.135 -21.533 14.599 1.00 52.23 H new ATOM 234 N ARG A 16 -4.114 -19.786 10.204 1.00 24.15 N ATOM 235 CA ARG A 16 -4.100 -18.911 9.038 1.00 32.24 C ATOM 236 C ARG A 16 -4.672 -17.539 9.382 1.00 44.41 C ATOM 237 O ARG A 16 -4.197 -16.516 8.887 1.00 70.43 O ATOM 238 CB ARG A 16 -4.901 -19.537 7.895 1.00 31.32 C ATOM 239 CG ARG A 16 -6.355 -19.807 8.247 1.00 70.14 C ATOM 240 CD ARG A 16 -7.118 -20.380 7.062 1.00 45.50 C ATOM 241 NE ARG A 16 -8.537 -20.038 7.108 1.00 62.31 N ATOM 242 CZ ARG A 16 -9.390 -20.310 6.127 1.00 51.22 C ATOM 243 NH1 ARG A 16 -8.970 -20.924 5.029 1.00 1.42 N ATOM 244 NH2 ARG A 16 -10.667 -19.968 6.243 1.00 41.34 N ATOM 0 H ARG A 16 -4.886 -20.453 10.222 1.00 24.15 H new ATOM 0 HA ARG A 16 -3.065 -18.785 8.721 1.00 32.24 H new ATOM 0 HB2 ARG A 16 -4.862 -18.875 7.030 1.00 31.32 H new ATOM 0 HB3 ARG A 16 -4.427 -20.474 7.601 1.00 31.32 H new ATOM 0 HG2 ARG A 16 -6.405 -20.503 9.084 1.00 70.14 H new ATOM 0 HG3 ARG A 16 -6.829 -18.882 8.574 1.00 70.14 H new ATOM 0 HD2 ARG A 16 -6.684 -20.004 6.135 1.00 45.50 H new ATOM 0 HD3 ARG A 16 -7.007 -21.464 7.049 1.00 45.50 H new ATOM 0 HE ARG A 16 -8.892 -19.565 7.939 1.00 62.31 H new ATOM 0 HH11 ARG A 16 -7.989 -21.189 4.936 1.00 1.42 H new ATOM 0 HH12 ARG A 16 -9.628 -21.131 4.277 1.00 1.42 H new ATOM 0 HH21 ARG A 16 -10.994 -19.496 7.086 1.00 41.34 H new ATOM 0 HH22 ARG A 16 -11.321 -20.177 5.489 1.00 41.34 H new ATOM 258 N TRP A 17 -5.692 -17.525 10.231 1.00 12.54 N ATOM 259 CA TRP A 17 -6.329 -16.278 10.641 1.00 44.55 C ATOM 260 C TRP A 17 -5.296 -15.285 11.163 1.00 22.34 C ATOM 261 O TRP A 17 -5.175 -14.172 10.652 1.00 72.25 O ATOM 262 CB TRP A 17 -7.384 -16.548 11.714 1.00 3.13 C ATOM 263 CG TRP A 17 -7.803 -15.316 12.458 1.00 31.24 C ATOM 264 CD1 TRP A 17 -8.632 -14.329 12.008 1.00 44.44 C ATOM 265 CD2 TRP A 17 -7.412 -14.941 13.784 1.00 52.14 C ATOM 266 NE1 TRP A 17 -8.779 -13.362 12.973 1.00 53.22 N ATOM 267 CE2 TRP A 17 -8.042 -13.714 14.072 1.00 31.41 C ATOM 268 CE3 TRP A 17 -6.593 -15.522 14.755 1.00 33.33 C ATOM 269 CZ2 TRP A 17 -7.876 -13.061 15.290 1.00 32.24 C ATOM 270 CZ3 TRP A 17 -6.429 -14.873 15.964 1.00 54.42 C ATOM 271 CH2 TRP A 17 -7.069 -13.653 16.223 1.00 22.04 C ATOM 0 H TRP A 17 -6.096 -18.363 10.650 1.00 12.54 H new ATOM 0 HA TRP A 17 -6.814 -15.843 9.767 1.00 44.55 H new ATOM 0 HB2 TRP A 17 -8.260 -16.997 11.247 1.00 3.13 H new ATOM 0 HB3 TRP A 17 -6.992 -17.277 12.424 1.00 3.13 H new ATOM 0 HD1 TRP A 17 -9.103 -14.311 11.036 1.00 44.44 H new ATOM 0 HE1 TRP A 17 -9.346 -12.518 12.885 1.00 53.22 H new ATOM 0 HE3 TRP A 17 -6.097 -16.462 14.564 1.00 33.33 H new ATOM 0 HZ2 TRP A 17 -8.367 -12.120 15.491 1.00 32.24 H new ATOM 0 HZ3 TRP A 17 -5.797 -15.313 16.722 1.00 54.42 H new ATOM 0 HH2 TRP A 17 -6.922 -13.171 17.178 1.00 22.04 H new ATOM 282 N VAL A 18 -4.552 -15.695 12.186 1.00 31.40 N ATOM 283 CA VAL A 18 -3.528 -14.842 12.777 1.00 32.23 C ATOM 284 C VAL A 18 -2.609 -14.264 11.707 1.00 55.10 C ATOM 285 O VAL A 18 -2.316 -13.068 11.705 1.00 13.51 O ATOM 286 CB VAL A 18 -2.679 -15.614 13.805 1.00 71.13 C ATOM 287 CG1 VAL A 18 -3.459 -15.822 15.094 1.00 50.10 C ATOM 288 CG2 VAL A 18 -2.224 -16.946 13.227 1.00 54.35 C ATOM 0 H VAL A 18 -4.640 -16.613 12.622 1.00 31.40 H new ATOM 0 HA VAL A 18 -4.048 -14.029 13.283 1.00 32.23 H new ATOM 0 HB VAL A 18 -1.793 -15.022 14.036 1.00 71.13 H new ATOM 0 HG11 VAL A 18 -2.843 -16.369 15.808 1.00 50.10 H new ATOM 0 HG12 VAL A 18 -3.730 -14.854 15.516 1.00 50.10 H new ATOM 0 HG13 VAL A 18 -4.364 -16.392 14.884 1.00 50.10 H new ATOM 0 HG21 VAL A 18 -1.626 -17.478 13.966 1.00 54.35 H new ATOM 0 HG22 VAL A 18 -3.096 -17.546 12.966 1.00 54.35 H new ATOM 0 HG23 VAL A 18 -1.624 -16.769 12.334 1.00 54.35 H new ATOM 298 N LEU A 19 -2.158 -15.120 10.797 1.00 30.12 N ATOM 299 CA LEU A 19 -1.272 -14.695 9.719 1.00 0.42 C ATOM 300 C LEU A 19 -2.019 -13.828 8.710 1.00 20.33 C ATOM 301 O LEU A 19 -1.409 -13.069 7.959 1.00 42.41 O ATOM 302 CB LEU A 19 -0.670 -15.913 9.016 1.00 14.31 C ATOM 303 CG LEU A 19 0.523 -16.568 9.712 1.00 44.41 C ATOM 304 CD1 LEU A 19 0.734 -17.982 9.193 1.00 14.32 C ATOM 305 CD2 LEU A 19 1.780 -15.733 9.514 1.00 40.41 C ATOM 0 H LEU A 19 -2.391 -16.113 10.784 1.00 30.12 H new ATOM 0 HA LEU A 19 -0.468 -14.102 10.155 1.00 0.42 H new ATOM 0 HB2 LEU A 19 -1.452 -16.663 8.898 1.00 14.31 H new ATOM 0 HB3 LEU A 19 -0.361 -15.614 8.014 1.00 14.31 H new ATOM 0 HG LEU A 19 0.311 -16.623 10.780 1.00 44.41 H new ATOM 0 HD11 LEU A 19 1.587 -18.432 9.700 1.00 14.32 H new ATOM 0 HD12 LEU A 19 -0.158 -18.577 9.386 1.00 14.32 H new ATOM 0 HD13 LEU A 19 0.924 -17.951 8.120 1.00 14.32 H new ATOM 0 HD21 LEU A 19 2.619 -16.214 10.016 1.00 40.41 H new ATOM 0 HD22 LEU A 19 1.995 -15.647 8.449 1.00 40.41 H new ATOM 0 HD23 LEU A 19 1.627 -14.739 9.935 1.00 40.41 H new ATOM 317 N GLU A 20 -3.343 -13.947 8.701 1.00 30.24 N ATOM 318 CA GLU A 20 -4.173 -13.173 7.785 1.00 23.34 C ATOM 319 C GLU A 20 -4.409 -11.765 8.323 1.00 32.03 C ATOM 320 O GLU A 20 -4.106 -10.775 7.657 1.00 61.53 O ATOM 321 CB GLU A 20 -5.513 -13.876 7.558 1.00 22.14 C ATOM 322 CG GLU A 20 -5.914 -13.964 6.095 1.00 25.54 C ATOM 323 CD GLU A 20 -6.839 -12.839 5.675 1.00 31.30 C ATOM 324 OE1 GLU A 20 -6.914 -11.828 6.404 1.00 61.21 O ATOM 325 OE2 GLU A 20 -7.489 -12.970 4.616 1.00 24.53 O ATOM 0 H GLU A 20 -3.864 -14.571 9.317 1.00 30.24 H new ATOM 0 HA GLU A 20 -3.646 -13.096 6.834 1.00 23.34 H new ATOM 0 HB2 GLU A 20 -5.460 -14.883 7.973 1.00 22.14 H new ATOM 0 HB3 GLU A 20 -6.290 -13.345 8.108 1.00 22.14 H new ATOM 0 HG2 GLU A 20 -5.018 -13.943 5.475 1.00 25.54 H new ATOM 0 HG3 GLU A 20 -6.405 -14.920 5.914 1.00 25.54 H new ATOM 332 N ARG A 21 -4.953 -11.684 9.533 1.00 13.31 N ATOM 333 CA ARG A 21 -5.233 -10.398 10.160 1.00 5.44 C ATOM 334 C ARG A 21 -3.966 -9.552 10.255 1.00 63.32 C ATOM 335 O ARG A 21 -4.030 -8.325 10.325 1.00 71.44 O ATOM 336 CB ARG A 21 -5.825 -10.605 11.555 1.00 15.54 C ATOM 337 CG ARG A 21 -4.915 -11.378 12.495 1.00 34.04 C ATOM 338 CD ARG A 21 -5.162 -10.998 13.947 1.00 23.21 C ATOM 339 NE ARG A 21 -4.133 -10.096 14.459 1.00 74.11 N ATOM 340 CZ ARG A 21 -4.116 -9.632 15.704 1.00 61.54 C ATOM 341 NH1 ARG A 21 -5.066 -9.985 16.559 1.00 3.51 N ATOM 342 NH2 ARG A 21 -3.146 -8.815 16.095 1.00 75.31 N ATOM 0 H ARG A 21 -5.208 -12.494 10.098 1.00 13.31 H new ATOM 0 HA ARG A 21 -5.957 -9.870 9.540 1.00 5.44 H new ATOM 0 HB2 ARG A 21 -6.045 -9.632 11.995 1.00 15.54 H new ATOM 0 HB3 ARG A 21 -6.773 -11.135 11.463 1.00 15.54 H new ATOM 0 HG2 ARG A 21 -5.079 -12.448 12.365 1.00 34.04 H new ATOM 0 HG3 ARG A 21 -3.874 -11.182 12.238 1.00 34.04 H new ATOM 0 HD2 ARG A 21 -6.138 -10.522 14.036 1.00 23.21 H new ATOM 0 HD3 ARG A 21 -5.190 -11.900 14.558 1.00 23.21 H new ATOM 0 HE ARG A 21 -3.387 -9.807 13.826 1.00 74.11 H new ATOM 0 HH11 ARG A 21 -5.812 -10.614 16.262 1.00 3.51 H new ATOM 0 HH12 ARG A 21 -5.051 -9.628 17.514 1.00 3.51 H new ATOM 0 HH21 ARG A 21 -2.413 -8.543 15.440 1.00 75.31 H new ATOM 0 HH22 ARG A 21 -3.133 -8.459 17.051 1.00 75.31 H new ATOM 356 N ALA A 22 -2.815 -10.218 10.257 1.00 53.31 N ATOM 357 CA ALA A 22 -1.534 -9.528 10.341 1.00 20.02 C ATOM 358 C ALA A 22 -1.424 -8.441 9.277 1.00 73.51 C ATOM 359 O ALA A 22 -1.241 -7.265 9.593 1.00 72.05 O ATOM 360 CB ALA A 22 -0.390 -10.521 10.204 1.00 62.51 C ATOM 0 H ALA A 22 -2.744 -11.234 10.201 1.00 53.31 H new ATOM 0 HA ALA A 22 -1.471 -9.050 11.318 1.00 20.02 H new ATOM 0 HB1 ALA A 22 0.561 -9.992 10.269 1.00 62.51 H new ATOM 0 HB2 ALA A 22 -0.450 -11.258 11.005 1.00 62.51 H new ATOM 0 HB3 ALA A 22 -0.460 -11.026 9.240 1.00 62.51 H new ATOM 366 N LEU A 23 -1.537 -8.842 8.015 1.00 25.34 N ATOM 367 CA LEU A 23 -1.449 -7.902 6.903 1.00 33.22 C ATOM 368 C LEU A 23 -2.799 -7.240 6.643 1.00 65.23 C ATOM 369 O LEU A 23 -2.866 -6.139 6.098 1.00 3.54 O ATOM 370 CB LEU A 23 -0.968 -8.619 5.641 1.00 43.25 C ATOM 371 CG LEU A 23 0.140 -9.654 5.838 1.00 72.54 C ATOM 372 CD1 LEU A 23 0.620 -10.184 4.495 1.00 5.14 C ATOM 373 CD2 LEU A 23 1.298 -9.055 6.622 1.00 54.51 C ATOM 0 H LEU A 23 -1.690 -9.811 7.737 1.00 25.34 H new ATOM 0 HA LEU A 23 -0.730 -7.127 7.169 1.00 33.22 H new ATOM 0 HB2 LEU A 23 -1.823 -9.115 5.181 1.00 43.25 H new ATOM 0 HB3 LEU A 23 -0.615 -7.869 4.933 1.00 43.25 H new ATOM 0 HG LEU A 23 -0.266 -10.488 6.411 1.00 72.54 H new ATOM 0 HD11 LEU A 23 1.409 -10.919 4.655 1.00 5.14 H new ATOM 0 HD12 LEU A 23 -0.212 -10.653 3.970 1.00 5.14 H new ATOM 0 HD13 LEU A 23 1.008 -9.360 3.896 1.00 5.14 H new ATOM 0 HD21 LEU A 23 2.077 -9.807 6.752 1.00 54.51 H new ATOM 0 HD22 LEU A 23 1.704 -8.203 6.077 1.00 54.51 H new ATOM 0 HD23 LEU A 23 0.944 -8.726 7.599 1.00 54.51 H new ATOM 385 N ALA A 24 -3.871 -7.919 7.037 1.00 1.02 N ATOM 386 CA ALA A 24 -5.218 -7.395 6.850 1.00 11.13 C ATOM 387 C ALA A 24 -5.335 -5.975 7.394 1.00 33.25 C ATOM 388 O ALA A 24 -6.053 -5.144 6.839 1.00 31.55 O ATOM 389 CB ALA A 24 -6.236 -8.305 7.521 1.00 32.01 C ATOM 0 H ALA A 24 -3.833 -8.833 7.488 1.00 1.02 H new ATOM 0 HA ALA A 24 -5.424 -7.364 5.780 1.00 11.13 H new ATOM 0 HB1 ALA A 24 -7.238 -7.902 7.373 1.00 32.01 H new ATOM 0 HB2 ALA A 24 -6.178 -9.301 7.083 1.00 32.01 H new ATOM 0 HB3 ALA A 24 -6.023 -8.365 8.588 1.00 32.01 H new ATOM 395 N GLY A 25 -4.625 -5.704 8.485 1.00 11.24 N ATOM 396 CA GLY A 25 -4.664 -4.384 9.087 1.00 55.42 C ATOM 397 C GLY A 25 -3.662 -3.433 8.464 1.00 52.54 C ATOM 398 O GLY A 25 -3.792 -2.215 8.587 1.00 20.11 O ATOM 0 H GLY A 25 -4.023 -6.375 8.963 1.00 11.24 H new ATOM 0 HA2 GLY A 25 -5.667 -3.970 8.982 1.00 55.42 H new ATOM 0 HA3 GLY A 25 -4.464 -4.469 10.155 1.00 55.42 H new ATOM 402 N ALA A 26 -2.658 -3.989 7.793 1.00 14.14 N ATOM 403 CA ALA A 26 -1.630 -3.182 7.149 1.00 52.25 C ATOM 404 C ALA A 26 -1.953 -2.957 5.675 1.00 4.42 C ATOM 405 O ALA A 26 -3.053 -3.262 5.217 1.00 65.33 O ATOM 406 CB ALA A 26 -0.269 -3.844 7.298 1.00 64.24 C ATOM 0 H ALA A 26 -2.535 -4.995 7.682 1.00 14.14 H new ATOM 0 HA ALA A 26 -1.604 -2.210 7.641 1.00 52.25 H new ATOM 0 HB1 ALA A 26 0.489 -3.230 6.812 1.00 64.24 H new ATOM 0 HB2 ALA A 26 -0.029 -3.948 8.356 1.00 64.24 H new ATOM 0 HB3 ALA A 26 -0.291 -4.829 6.833 1.00 64.24 H new ATOM 412 N GLY A 27 -0.986 -2.419 4.938 1.00 44.03 N ATOM 413 CA GLY A 27 -1.187 -2.161 3.524 1.00 71.32 C ATOM 414 C GLY A 27 -0.575 -3.235 2.646 1.00 40.31 C ATOM 415 O GLY A 27 0.214 -2.938 1.748 1.00 42.40 O ATOM 0 H GLY A 27 -0.067 -2.157 5.295 1.00 44.03 H new ATOM 0 HA2 GLY A 27 -2.255 -2.093 3.318 1.00 71.32 H new ATOM 0 HA3 GLY A 27 -0.751 -1.195 3.268 1.00 71.32 H new ATOM 419 N LEU A 28 -0.937 -4.486 2.905 1.00 20.22 N ATOM 420 CA LEU A 28 -0.417 -5.609 2.132 1.00 4.14 C ATOM 421 C LEU A 28 -1.520 -6.616 1.825 1.00 60.12 C ATOM 422 O LEU A 28 -2.637 -6.505 2.331 1.00 0.33 O ATOM 423 CB LEU A 28 0.718 -6.295 2.894 1.00 24.43 C ATOM 424 CG LEU A 28 1.342 -5.493 4.037 1.00 54.32 C ATOM 425 CD1 LEU A 28 2.198 -6.391 4.916 1.00 73.44 C ATOM 426 CD2 LEU A 28 2.166 -4.337 3.489 1.00 62.10 C ATOM 0 H LEU A 28 -1.589 -4.749 3.644 1.00 20.22 H new ATOM 0 HA LEU A 28 -0.032 -5.222 1.189 1.00 4.14 H new ATOM 0 HB2 LEU A 28 0.341 -7.234 3.300 1.00 24.43 H new ATOM 0 HB3 LEU A 28 1.505 -6.548 2.183 1.00 24.43 H new ATOM 0 HG LEU A 28 0.538 -5.083 4.648 1.00 54.32 H new ATOM 0 HD11 LEU A 28 2.633 -5.802 5.723 1.00 73.44 H new ATOM 0 HD12 LEU A 28 1.580 -7.184 5.338 1.00 73.44 H new ATOM 0 HD13 LEU A 28 2.996 -6.832 4.318 1.00 73.44 H new ATOM 0 HD21 LEU A 28 2.603 -3.777 4.316 1.00 62.10 H new ATOM 0 HD22 LEU A 28 2.962 -4.726 2.854 1.00 62.10 H new ATOM 0 HD23 LEU A 28 1.525 -3.678 2.904 1.00 62.10 H new ATOM 438 N THR A 29 -1.199 -7.602 0.992 1.00 12.23 N ATOM 439 CA THR A 29 -2.162 -8.630 0.618 1.00 51.32 C ATOM 440 C THR A 29 -2.034 -9.856 1.514 1.00 1.02 C ATOM 441 O THR A 29 -0.974 -10.109 2.087 1.00 23.45 O ATOM 442 CB THR A 29 -1.982 -9.060 -0.850 1.00 71.03 C ATOM 443 OG1 THR A 29 -1.822 -7.906 -1.683 1.00 21.11 O ATOM 444 CG2 THR A 29 -3.176 -9.873 -1.326 1.00 74.32 C ATOM 0 H THR A 29 -0.279 -7.710 0.564 1.00 12.23 H new ATOM 0 HA THR A 29 -3.153 -8.195 0.743 1.00 51.32 H new ATOM 0 HB THR A 29 -1.089 -9.682 -0.916 1.00 71.03 H new ATOM 0 HG1 THR A 29 -1.706 -8.188 -2.614 1.00 21.11 H new ATOM 0 HG21 THR A 29 -3.026 -10.165 -2.365 1.00 74.32 H new ATOM 0 HG22 THR A 29 -3.278 -10.766 -0.709 1.00 74.32 H new ATOM 0 HG23 THR A 29 -4.081 -9.271 -1.245 1.00 74.32 H new ATOM 452 N CYS A 30 -3.119 -10.614 1.631 1.00 44.25 N ATOM 453 CA CYS A 30 -3.127 -11.815 2.458 1.00 11.22 C ATOM 454 C CYS A 30 -3.791 -12.976 1.725 1.00 15.42 C ATOM 455 O CYS A 30 -4.979 -12.923 1.402 1.00 43.20 O ATOM 456 CB CYS A 30 -3.854 -11.546 3.777 1.00 43.43 C ATOM 457 SG CYS A 30 -5.445 -10.708 3.585 1.00 23.12 S ATOM 0 H CYS A 30 -4.004 -10.418 1.164 1.00 44.25 H new ATOM 0 HA CYS A 30 -2.093 -12.087 2.670 1.00 11.22 H new ATOM 0 HB2 CYS A 30 -4.014 -12.494 4.291 1.00 43.43 H new ATOM 0 HB3 CYS A 30 -3.212 -10.941 4.417 1.00 43.43 H new ATOM 0 HG CYS A 30 -6.067 -11.190 2.550 1.00 23.12 H new ATOM 463 N THR A 31 -3.017 -14.024 1.464 1.00 74.44 N ATOM 464 CA THR A 31 -3.529 -15.197 0.766 1.00 34.21 C ATOM 465 C THR A 31 -3.264 -16.470 1.562 1.00 5.20 C ATOM 466 O THR A 31 -2.115 -16.879 1.734 1.00 3.24 O ATOM 467 CB THR A 31 -2.899 -15.339 -0.632 1.00 52.33 C ATOM 468 OG1 THR A 31 -2.876 -14.067 -1.290 1.00 3.00 O ATOM 469 CG2 THR A 31 -3.675 -16.338 -1.477 1.00 14.11 C ATOM 0 H THR A 31 -2.033 -14.085 1.725 1.00 74.44 H new ATOM 0 HA THR A 31 -4.604 -15.056 0.659 1.00 34.21 H new ATOM 0 HB THR A 31 -1.879 -15.704 -0.511 1.00 52.33 H new ATOM 0 HG1 THR A 31 -1.976 -13.894 -1.637 1.00 3.00 H new ATOM 0 HG21 THR A 31 -3.211 -16.421 -2.460 1.00 14.11 H new ATOM 0 HG22 THR A 31 -3.667 -17.312 -0.988 1.00 14.11 H new ATOM 0 HG23 THR A 31 -4.704 -15.997 -1.589 1.00 14.11 H new ATOM 477 N THR A 32 -4.333 -17.094 2.046 1.00 60.22 N ATOM 478 CA THR A 32 -4.215 -18.321 2.824 1.00 0.31 C ATOM 479 C THR A 32 -4.599 -19.539 1.992 1.00 12.12 C ATOM 480 O THR A 32 -5.522 -19.482 1.180 1.00 74.15 O ATOM 481 CB THR A 32 -5.100 -18.274 4.084 1.00 2.21 C ATOM 482 OG1 THR A 32 -6.473 -18.463 3.726 1.00 72.14 O ATOM 483 CG2 THR A 32 -4.938 -16.947 4.810 1.00 51.32 C ATOM 0 H THR A 32 -5.291 -16.770 1.913 1.00 60.22 H new ATOM 0 HA THR A 32 -3.171 -18.405 3.125 1.00 0.31 H new ATOM 0 HB THR A 32 -4.786 -19.076 4.752 1.00 2.21 H new ATOM 0 HG1 THR A 32 -7.028 -18.433 4.533 1.00 72.14 H new ATOM 0 HG21 THR A 32 -5.573 -16.937 5.696 1.00 51.32 H new ATOM 0 HG22 THR A 32 -3.897 -16.820 5.108 1.00 51.32 H new ATOM 0 HG23 THR A 32 -5.228 -16.132 4.147 1.00 51.32 H new ATOM 491 N PHE A 33 -3.886 -20.641 2.200 1.00 10.34 N ATOM 492 CA PHE A 33 -4.153 -21.874 1.469 1.00 43.32 C ATOM 493 C PHE A 33 -4.280 -23.056 2.424 1.00 34.35 C ATOM 494 O PHE A 33 -4.312 -22.882 3.642 1.00 31.42 O ATOM 495 CB PHE A 33 -3.039 -22.141 0.455 1.00 44.03 C ATOM 496 CG PHE A 33 -2.944 -21.097 -0.621 1.00 5.55 C ATOM 497 CD1 PHE A 33 -3.783 -21.139 -1.722 1.00 13.42 C ATOM 498 CD2 PHE A 33 -2.015 -20.072 -0.530 1.00 22.43 C ATOM 499 CE1 PHE A 33 -3.697 -20.179 -2.713 1.00 32.21 C ATOM 500 CE2 PHE A 33 -1.924 -19.110 -1.518 1.00 13.24 C ATOM 501 CZ PHE A 33 -2.767 -19.163 -2.610 1.00 55.11 C ATOM 0 H PHE A 33 -3.119 -20.705 2.869 1.00 10.34 H new ATOM 0 HA PHE A 33 -5.098 -21.755 0.939 1.00 43.32 H new ATOM 0 HB2 PHE A 33 -2.086 -22.197 0.981 1.00 44.03 H new ATOM 0 HB3 PHE A 33 -3.205 -23.114 -0.008 1.00 44.03 H new ATOM 0 HD1 PHE A 33 -4.513 -21.931 -1.807 1.00 13.42 H new ATOM 0 HD2 PHE A 33 -1.355 -20.025 0.323 1.00 22.43 H new ATOM 0 HE1 PHE A 33 -4.356 -20.223 -3.567 1.00 32.21 H new ATOM 0 HE2 PHE A 33 -1.194 -18.318 -1.436 1.00 13.24 H new ATOM 0 HZ PHE A 33 -2.699 -18.411 -3.382 1.00 55.11 H new ATOM 511 N GLU A 34 -4.354 -24.259 1.862 1.00 1.31 N ATOM 512 CA GLU A 34 -4.480 -25.470 2.664 1.00 2.02 C ATOM 513 C GLU A 34 -3.474 -26.526 2.216 1.00 60.42 C ATOM 514 O GLU A 34 -2.893 -27.234 3.038 1.00 75.14 O ATOM 515 CB GLU A 34 -5.901 -26.028 2.565 1.00 21.52 C ATOM 516 CG GLU A 34 -6.343 -26.318 1.141 1.00 52.03 C ATOM 517 CD GLU A 34 -6.276 -27.793 0.797 1.00 22.43 C ATOM 518 OE1 GLU A 34 -5.569 -28.536 1.510 1.00 24.14 O ATOM 519 OE2 GLU A 34 -6.929 -28.205 -0.184 1.00 32.43 O ATOM 0 H GLU A 34 -4.329 -24.420 0.855 1.00 1.31 H new ATOM 0 HA GLU A 34 -4.271 -25.211 3.702 1.00 2.02 H new ATOM 0 HB2 GLU A 34 -5.963 -26.946 3.150 1.00 21.52 H new ATOM 0 HB3 GLU A 34 -6.594 -25.316 3.014 1.00 21.52 H new ATOM 0 HG2 GLU A 34 -7.364 -25.963 1.002 1.00 52.03 H new ATOM 0 HG3 GLU A 34 -5.714 -25.759 0.449 1.00 52.03 H new ATOM 526 N ASN A 35 -3.274 -26.626 0.906 1.00 72.34 N ATOM 527 CA ASN A 35 -2.340 -27.597 0.347 1.00 42.43 C ATOM 528 C ASN A 35 -1.136 -26.896 -0.277 1.00 35.30 C ATOM 529 O ASN A 35 -1.287 -26.021 -1.129 1.00 22.52 O ATOM 530 CB ASN A 35 -3.039 -28.464 -0.702 1.00 13.11 C ATOM 531 CG ASN A 35 -3.575 -29.757 -0.119 1.00 24.43 C ATOM 532 OD1 ASN A 35 -3.117 -30.215 0.929 1.00 74.13 O ATOM 533 ND2 ASN A 35 -4.549 -30.353 -0.797 1.00 24.44 N ATOM 0 H ASN A 35 -3.746 -26.047 0.212 1.00 72.34 H new ATOM 0 HA ASN A 35 -1.988 -28.234 1.158 1.00 42.43 H new ATOM 0 HB2 ASN A 35 -3.860 -27.901 -1.146 1.00 13.11 H new ATOM 0 HB3 ASN A 35 -2.339 -28.693 -1.505 1.00 13.11 H new ATOM 0 HD21 ASN A 35 -4.949 -31.226 -0.454 1.00 24.44 H new ATOM 0 HD22 ASN A 35 -4.897 -29.937 -1.661 1.00 24.44 H new ATOM 540 N GLY A 36 0.059 -27.289 0.154 1.00 52.51 N ATOM 541 CA GLY A 36 1.271 -26.689 -0.373 1.00 12.21 C ATOM 542 C GLY A 36 1.374 -26.818 -1.880 1.00 30.03 C ATOM 543 O GLY A 36 2.010 -25.996 -2.538 1.00 12.24 O ATOM 0 H GLY A 36 0.209 -28.012 0.858 1.00 52.51 H new ATOM 0 HA2 GLY A 36 1.299 -25.634 -0.099 1.00 12.21 H new ATOM 0 HA3 GLY A 36 2.138 -27.162 0.089 1.00 12.21 H new ATOM 547 N ASN A 37 0.748 -27.855 -2.427 1.00 41.34 N ATOM 548 CA ASN A 37 0.774 -28.090 -3.866 1.00 64.25 C ATOM 549 C ASN A 37 -0.106 -27.082 -4.599 1.00 1.02 C ATOM 550 O ASN A 37 0.046 -26.870 -5.801 1.00 75.04 O ATOM 551 CB ASN A 37 0.308 -29.513 -4.180 1.00 64.40 C ATOM 552 CG ASN A 37 -0.025 -29.703 -5.647 1.00 50.53 C ATOM 553 OD1 ASN A 37 -1.094 -29.303 -6.109 1.00 32.22 O ATOM 554 ND2 ASN A 37 0.892 -30.315 -6.388 1.00 14.50 N ATOM 0 H ASN A 37 0.217 -28.545 -1.896 1.00 41.34 H new ATOM 0 HA ASN A 37 1.801 -27.966 -4.210 1.00 64.25 H new ATOM 0 HB2 ASN A 37 1.087 -30.219 -3.893 1.00 64.40 H new ATOM 0 HB3 ASN A 37 -0.570 -29.746 -3.578 1.00 64.40 H new ATOM 0 HD21 ASN A 37 0.724 -30.470 -7.382 1.00 14.50 H new ATOM 0 HD22 ASN A 37 1.764 -30.630 -5.963 1.00 14.50 H new ATOM 561 N GLU A 38 -1.025 -26.463 -3.864 1.00 60.31 N ATOM 562 CA GLU A 38 -1.929 -25.478 -4.444 1.00 53.44 C ATOM 563 C GLU A 38 -1.309 -24.084 -4.411 1.00 1.22 C ATOM 564 O GLU A 38 -1.749 -23.179 -5.119 1.00 55.44 O ATOM 565 CB GLU A 38 -3.263 -25.472 -3.694 1.00 60.44 C ATOM 566 CG GLU A 38 -4.475 -25.397 -4.608 1.00 2.10 C ATOM 567 CD GLU A 38 -5.520 -26.445 -4.279 1.00 23.32 C ATOM 568 OE1 GLU A 38 -5.231 -27.647 -4.458 1.00 43.04 O ATOM 569 OE2 GLU A 38 -6.626 -26.065 -3.842 1.00 41.41 O ATOM 0 H GLU A 38 -1.163 -26.627 -2.867 1.00 60.31 H new ATOM 0 HA GLU A 38 -2.106 -25.754 -5.484 1.00 53.44 H new ATOM 0 HB2 GLU A 38 -3.332 -26.374 -3.086 1.00 60.44 H new ATOM 0 HB3 GLU A 38 -3.282 -24.624 -3.010 1.00 60.44 H new ATOM 0 HG2 GLU A 38 -4.923 -24.406 -4.531 1.00 2.10 H new ATOM 0 HG3 GLU A 38 -4.154 -25.522 -5.642 1.00 2.10 H new ATOM 576 N VAL A 39 -0.283 -23.919 -3.581 1.00 53.23 N ATOM 577 CA VAL A 39 0.399 -22.636 -3.455 1.00 33.44 C ATOM 578 C VAL A 39 1.549 -22.525 -4.449 1.00 21.21 C ATOM 579 O VAL A 39 1.763 -21.473 -5.053 1.00 32.12 O ATOM 580 CB VAL A 39 0.945 -22.430 -2.029 1.00 52.43 C ATOM 581 CG1 VAL A 39 1.407 -20.993 -1.838 1.00 33.15 C ATOM 582 CG2 VAL A 39 -0.108 -22.802 -0.997 1.00 32.15 C ATOM 0 H VAL A 39 0.094 -24.657 -2.986 1.00 53.23 H new ATOM 0 HA VAL A 39 -0.338 -21.862 -3.670 1.00 33.44 H new ATOM 0 HB VAL A 39 1.805 -23.085 -1.889 1.00 52.43 H new ATOM 0 HG11 VAL A 39 1.790 -20.865 -0.825 1.00 33.15 H new ATOM 0 HG12 VAL A 39 2.196 -20.766 -2.555 1.00 33.15 H new ATOM 0 HG13 VAL A 39 0.567 -20.317 -1.996 1.00 33.15 H new ATOM 0 HG21 VAL A 39 0.295 -22.650 0.005 1.00 32.15 H new ATOM 0 HG22 VAL A 39 -0.989 -22.174 -1.133 1.00 32.15 H new ATOM 0 HG23 VAL A 39 -0.386 -23.849 -1.122 1.00 32.15 H new ATOM 592 N LEU A 40 2.287 -23.617 -4.615 1.00 45.21 N ATOM 593 CA LEU A 40 3.417 -23.643 -5.538 1.00 23.14 C ATOM 594 C LEU A 40 3.017 -23.099 -6.905 1.00 14.20 C ATOM 595 O LEU A 40 3.770 -22.355 -7.533 1.00 35.01 O ATOM 596 CB LEU A 40 3.952 -25.069 -5.680 1.00 75.42 C ATOM 597 CG LEU A 40 4.632 -25.402 -7.009 1.00 13.42 C ATOM 598 CD1 LEU A 40 5.766 -24.427 -7.286 1.00 54.14 C ATOM 599 CD2 LEU A 40 5.147 -26.834 -7.001 1.00 13.51 C ATOM 0 H LEU A 40 2.124 -24.496 -4.123 1.00 45.21 H new ATOM 0 HA LEU A 40 4.202 -23.006 -5.130 1.00 23.14 H new ATOM 0 HB2 LEU A 40 4.664 -25.250 -4.875 1.00 75.42 H new ATOM 0 HB3 LEU A 40 3.124 -25.763 -5.535 1.00 75.42 H new ATOM 0 HG LEU A 40 3.895 -25.307 -7.807 1.00 13.42 H new ATOM 0 HD11 LEU A 40 6.239 -24.679 -8.235 1.00 54.14 H new ATOM 0 HD12 LEU A 40 5.370 -23.413 -7.336 1.00 54.14 H new ATOM 0 HD13 LEU A 40 6.503 -24.490 -6.486 1.00 54.14 H new ATOM 0 HD21 LEU A 40 5.628 -27.053 -7.954 1.00 13.51 H new ATOM 0 HD22 LEU A 40 5.869 -26.956 -6.194 1.00 13.51 H new ATOM 0 HD23 LEU A 40 4.313 -27.520 -6.849 1.00 13.51 H new ATOM 611 N ALA A 41 1.825 -23.473 -7.359 1.00 62.42 N ATOM 612 CA ALA A 41 1.322 -23.019 -8.650 1.00 25.51 C ATOM 613 C ALA A 41 0.891 -21.558 -8.588 1.00 33.31 C ATOM 614 O ALA A 41 0.968 -20.836 -9.581 1.00 3.30 O ATOM 615 CB ALA A 41 0.164 -23.895 -9.103 1.00 33.43 C ATOM 0 H ALA A 41 1.190 -24.089 -6.852 1.00 62.42 H new ATOM 0 HA ALA A 41 2.130 -23.101 -9.377 1.00 25.51 H new ATOM 0 HB1 ALA A 41 -0.202 -23.544 -10.068 1.00 33.43 H new ATOM 0 HB2 ALA A 41 0.503 -24.927 -9.196 1.00 33.43 H new ATOM 0 HB3 ALA A 41 -0.641 -23.842 -8.370 1.00 33.43 H new ATOM 621 N ALA A 42 0.435 -21.130 -7.415 1.00 42.02 N ATOM 622 CA ALA A 42 -0.008 -19.755 -7.224 1.00 3.51 C ATOM 623 C ALA A 42 1.102 -18.767 -7.571 1.00 35.30 C ATOM 624 O ALA A 42 0.837 -17.662 -8.045 1.00 12.40 O ATOM 625 CB ALA A 42 -0.474 -19.545 -5.791 1.00 12.31 C ATOM 0 H ALA A 42 0.363 -21.716 -6.583 1.00 42.02 H new ATOM 0 HA ALA A 42 -0.845 -19.572 -7.898 1.00 3.51 H new ATOM 0 HB1 ALA A 42 -0.802 -18.514 -5.663 1.00 12.31 H new ATOM 0 HB2 ALA A 42 -1.303 -20.219 -5.576 1.00 12.31 H new ATOM 0 HB3 ALA A 42 0.349 -19.752 -5.107 1.00 12.31 H new ATOM 631 N LEU A 43 2.344 -19.173 -7.332 1.00 12.52 N ATOM 632 CA LEU A 43 3.494 -18.323 -7.619 1.00 4.23 C ATOM 633 C LEU A 43 3.495 -17.882 -9.079 1.00 1.01 C ATOM 634 O LEU A 43 3.745 -16.717 -9.386 1.00 4.23 O ATOM 635 CB LEU A 43 4.793 -19.064 -7.297 1.00 43.12 C ATOM 636 CG LEU A 43 4.810 -19.852 -5.987 1.00 12.01 C ATOM 637 CD1 LEU A 43 6.165 -20.509 -5.776 1.00 71.45 C ATOM 638 CD2 LEU A 43 4.467 -18.944 -4.814 1.00 64.54 C ATOM 0 H LEU A 43 2.580 -20.085 -6.941 1.00 12.52 H new ATOM 0 HA LEU A 43 3.424 -17.435 -6.991 1.00 4.23 H new ATOM 0 HB2 LEU A 43 5.007 -19.752 -8.114 1.00 43.12 H new ATOM 0 HB3 LEU A 43 5.605 -18.338 -7.271 1.00 43.12 H new ATOM 0 HG LEU A 43 4.055 -20.636 -6.047 1.00 12.01 H new ATOM 0 HD11 LEU A 43 6.158 -21.065 -4.839 1.00 71.45 H new ATOM 0 HD12 LEU A 43 6.371 -21.191 -6.601 1.00 71.45 H new ATOM 0 HD13 LEU A 43 6.939 -19.742 -5.737 1.00 71.45 H new ATOM 0 HD21 LEU A 43 4.484 -19.522 -3.890 1.00 64.54 H new ATOM 0 HD22 LEU A 43 5.198 -18.138 -4.752 1.00 64.54 H new ATOM 0 HD23 LEU A 43 3.473 -18.521 -4.960 1.00 64.54 H new ATOM 650 N ALA A 44 3.211 -18.821 -9.975 1.00 62.23 N ATOM 651 CA ALA A 44 3.175 -18.529 -11.403 1.00 12.32 C ATOM 652 C ALA A 44 2.243 -17.359 -11.700 1.00 12.00 C ATOM 653 O ALA A 44 2.373 -16.695 -12.728 1.00 72.14 O ATOM 654 CB ALA A 44 2.743 -19.761 -12.183 1.00 62.53 C ATOM 0 H ALA A 44 3.002 -19.791 -9.737 1.00 62.23 H new ATOM 0 HA ALA A 44 4.180 -18.248 -11.717 1.00 12.32 H new ATOM 0 HB1 ALA A 44 2.721 -19.528 -13.248 1.00 62.53 H new ATOM 0 HB2 ALA A 44 3.449 -20.571 -12.004 1.00 62.53 H new ATOM 0 HB3 ALA A 44 1.749 -20.068 -11.858 1.00 62.53 H new ATOM 660 N SER A 45 1.302 -17.112 -10.793 1.00 65.45 N ATOM 661 CA SER A 45 0.345 -16.025 -10.961 1.00 64.11 C ATOM 662 C SER A 45 0.950 -14.696 -10.519 1.00 63.01 C ATOM 663 O SER A 45 0.696 -13.653 -11.122 1.00 71.10 O ATOM 664 CB SER A 45 -0.928 -16.310 -10.162 1.00 25.12 C ATOM 665 OG SER A 45 -1.273 -17.683 -10.225 1.00 24.13 O ATOM 0 H SER A 45 1.183 -17.650 -9.935 1.00 65.45 H new ATOM 0 HA SER A 45 0.093 -15.956 -12.019 1.00 64.11 H new ATOM 0 HB2 SER A 45 -0.782 -16.016 -9.123 1.00 25.12 H new ATOM 0 HB3 SER A 45 -1.748 -15.707 -10.552 1.00 25.12 H new ATOM 0 HG SER A 45 -0.731 -18.186 -9.582 1.00 24.13 H new ATOM 671 N LYS A 46 1.753 -14.741 -9.461 1.00 70.32 N ATOM 672 CA LYS A 46 2.397 -13.543 -8.937 1.00 14.24 C ATOM 673 C LYS A 46 3.337 -13.889 -7.787 1.00 31.24 C ATOM 674 O LYS A 46 2.944 -13.863 -6.620 1.00 1.13 O ATOM 675 CB LYS A 46 1.343 -12.539 -8.463 1.00 41.23 C ATOM 676 CG LYS A 46 0.298 -13.143 -7.541 1.00 4.22 C ATOM 677 CD LYS A 46 -0.265 -12.107 -6.582 1.00 44.01 C ATOM 678 CE LYS A 46 0.803 -11.590 -5.630 1.00 41.34 C ATOM 679 NZ LYS A 46 1.280 -10.233 -6.017 1.00 24.11 N ATOM 0 H LYS A 46 1.973 -15.596 -8.949 1.00 70.32 H new ATOM 0 HA LYS A 46 2.983 -13.095 -9.740 1.00 14.24 H new ATOM 0 HB2 LYS A 46 1.841 -11.719 -7.946 1.00 41.23 H new ATOM 0 HB3 LYS A 46 0.844 -12.111 -9.333 1.00 41.23 H new ATOM 0 HG2 LYS A 46 -0.511 -13.568 -8.135 1.00 4.22 H new ATOM 0 HG3 LYS A 46 0.741 -13.962 -6.974 1.00 4.22 H new ATOM 0 HD2 LYS A 46 -0.683 -11.275 -7.148 1.00 44.01 H new ATOM 0 HD3 LYS A 46 -1.082 -12.546 -6.010 1.00 44.01 H new ATOM 0 HE2 LYS A 46 0.402 -11.559 -4.617 1.00 41.34 H new ATOM 0 HE3 LYS A 46 1.645 -12.282 -5.619 1.00 41.34 H new ATOM 0 HZ1 LYS A 46 2.223 -10.067 -5.610 1.00 24.11 H new ATOM 0 HZ2 LYS A 46 1.334 -10.166 -7.053 1.00 24.11 H new ATOM 0 HZ3 LYS A 46 0.617 -9.517 -5.658 1.00 24.11 H new ATOM 693 N THR A 47 4.582 -14.213 -8.123 1.00 12.32 N ATOM 694 CA THR A 47 5.578 -14.564 -7.119 1.00 10.34 C ATOM 695 C THR A 47 5.503 -13.627 -5.919 1.00 11.44 C ATOM 696 O THR A 47 5.750 -12.425 -6.022 1.00 63.14 O ATOM 697 CB THR A 47 7.003 -14.520 -7.702 1.00 1.25 C ATOM 698 OG1 THR A 47 6.966 -14.791 -9.107 1.00 51.51 O ATOM 699 CG2 THR A 47 7.903 -15.532 -7.009 1.00 13.05 C ATOM 0 H THR A 47 4.924 -14.239 -9.084 1.00 12.32 H new ATOM 0 HA THR A 47 5.357 -15.581 -6.796 1.00 10.34 H new ATOM 0 HB THR A 47 7.409 -13.522 -7.535 1.00 1.25 H new ATOM 0 HG1 THR A 47 7.876 -14.759 -9.470 1.00 51.51 H new ATOM 0 HG21 THR A 47 8.904 -15.482 -7.438 1.00 13.05 H new ATOM 0 HG22 THR A 47 7.953 -15.305 -5.944 1.00 13.05 H new ATOM 0 HG23 THR A 47 7.498 -16.534 -7.148 1.00 13.05 H new ATOM 707 N PRO A 48 5.154 -14.186 -4.751 1.00 21.34 N ATOM 708 CA PRO A 48 5.040 -13.418 -3.507 1.00 52.15 C ATOM 709 C PRO A 48 6.395 -12.948 -2.990 1.00 31.13 C ATOM 710 O PRO A 48 7.415 -13.602 -3.209 1.00 73.11 O ATOM 711 CB PRO A 48 4.411 -14.415 -2.531 1.00 14.31 C ATOM 712 CG PRO A 48 4.794 -15.754 -3.057 1.00 64.54 C ATOM 713 CD PRO A 48 4.845 -15.613 -4.554 1.00 1.55 C ATOM 0 HA PRO A 48 4.456 -12.507 -3.642 1.00 52.15 H new ATOM 0 HB2 PRO A 48 4.784 -14.266 -1.518 1.00 14.31 H new ATOM 0 HB3 PRO A 48 3.328 -14.300 -2.491 1.00 14.31 H new ATOM 0 HG2 PRO A 48 5.760 -16.067 -2.662 1.00 64.54 H new ATOM 0 HG3 PRO A 48 4.068 -16.512 -2.761 1.00 64.54 H new ATOM 0 HD2 PRO A 48 5.610 -16.254 -4.992 1.00 1.55 H new ATOM 0 HD3 PRO A 48 3.896 -15.886 -5.016 1.00 1.55 H new ATOM 721 N ASP A 49 6.398 -11.812 -2.302 1.00 4.32 N ATOM 722 CA ASP A 49 7.629 -11.255 -1.751 1.00 73.01 C ATOM 723 C ASP A 49 8.102 -12.067 -0.549 1.00 42.43 C ATOM 724 O ASP A 49 9.199 -11.851 -0.034 1.00 43.43 O ATOM 725 CB ASP A 49 7.416 -9.796 -1.345 1.00 45.22 C ATOM 726 CG ASP A 49 6.679 -9.001 -2.405 1.00 60.31 C ATOM 727 OD1 ASP A 49 5.458 -9.212 -2.563 1.00 21.40 O ATOM 728 OD2 ASP A 49 7.323 -8.168 -3.076 1.00 54.11 O ATOM 0 H ASP A 49 5.563 -11.258 -2.112 1.00 4.32 H new ATOM 0 HA ASP A 49 8.397 -11.301 -2.523 1.00 73.01 H new ATOM 0 HB2 ASP A 49 6.854 -9.760 -0.412 1.00 45.22 H new ATOM 0 HB3 ASP A 49 8.383 -9.331 -1.153 1.00 45.22 H new ATOM 733 N VAL A 50 7.267 -13.001 -0.106 1.00 53.23 N ATOM 734 CA VAL A 50 7.599 -13.845 1.035 1.00 45.00 C ATOM 735 C VAL A 50 6.515 -14.887 1.283 1.00 74.14 C ATOM 736 O VAL A 50 5.340 -14.657 0.993 1.00 73.24 O ATOM 737 CB VAL A 50 7.794 -13.009 2.314 1.00 42.23 C ATOM 738 CG1 VAL A 50 6.492 -12.330 2.711 1.00 5.33 C ATOM 739 CG2 VAL A 50 8.318 -13.880 3.445 1.00 34.53 C ATOM 0 H VAL A 50 6.355 -13.192 -0.520 1.00 53.23 H new ATOM 0 HA VAL A 50 8.535 -14.349 0.793 1.00 45.00 H new ATOM 0 HB VAL A 50 8.533 -12.234 2.112 1.00 42.23 H new ATOM 0 HG11 VAL A 50 6.649 -11.744 3.617 1.00 5.33 H new ATOM 0 HG12 VAL A 50 6.164 -11.673 1.906 1.00 5.33 H new ATOM 0 HG13 VAL A 50 5.729 -13.086 2.896 1.00 5.33 H new ATOM 0 HG21 VAL A 50 8.450 -13.273 4.341 1.00 34.53 H new ATOM 0 HG22 VAL A 50 7.605 -14.679 3.650 1.00 34.53 H new ATOM 0 HG23 VAL A 50 9.275 -14.314 3.157 1.00 34.53 H new ATOM 749 N LEU A 51 6.915 -16.034 1.821 1.00 42.51 N ATOM 750 CA LEU A 51 5.977 -17.113 2.109 1.00 51.30 C ATOM 751 C LEU A 51 6.072 -17.541 3.570 1.00 71.53 C ATOM 752 O LEU A 51 7.146 -17.499 4.172 1.00 55.31 O ATOM 753 CB LEU A 51 6.249 -18.309 1.196 1.00 62.24 C ATOM 754 CG LEU A 51 5.050 -18.841 0.411 1.00 75.40 C ATOM 755 CD1 LEU A 51 5.460 -19.209 -1.007 1.00 34.35 C ATOM 756 CD2 LEU A 51 4.438 -20.041 1.120 1.00 64.22 C ATOM 0 H LEU A 51 7.883 -16.241 2.067 1.00 42.51 H new ATOM 0 HA LEU A 51 4.968 -16.744 1.923 1.00 51.30 H new ATOM 0 HB2 LEU A 51 7.027 -18.029 0.486 1.00 62.24 H new ATOM 0 HB3 LEU A 51 6.649 -19.121 1.804 1.00 62.24 H new ATOM 0 HG LEU A 51 4.298 -18.054 0.357 1.00 75.40 H new ATOM 0 HD11 LEU A 51 4.593 -19.586 -1.550 1.00 34.35 H new ATOM 0 HD12 LEU A 51 5.850 -18.326 -1.514 1.00 34.35 H new ATOM 0 HD13 LEU A 51 6.231 -19.979 -0.975 1.00 34.35 H new ATOM 0 HD21 LEU A 51 3.586 -20.406 0.547 1.00 64.22 H new ATOM 0 HD22 LEU A 51 5.183 -20.832 1.206 1.00 64.22 H new ATOM 0 HD23 LEU A 51 4.106 -19.745 2.115 1.00 64.22 H new ATOM 768 N LEU A 52 4.943 -17.957 4.134 1.00 51.55 N ATOM 769 CA LEU A 52 4.899 -18.396 5.524 1.00 74.01 C ATOM 770 C LEU A 52 4.093 -19.684 5.662 1.00 24.14 C ATOM 771 O LEU A 52 2.986 -19.681 6.199 1.00 12.23 O ATOM 772 CB LEU A 52 4.291 -17.304 6.405 1.00 14.25 C ATOM 773 CG LEU A 52 5.274 -16.293 6.996 1.00 42.21 C ATOM 774 CD1 LEU A 52 5.804 -15.368 5.911 1.00 3.23 C ATOM 775 CD2 LEU A 52 4.612 -15.491 8.107 1.00 42.22 C ATOM 0 H LEU A 52 4.046 -17.999 3.650 1.00 51.55 H new ATOM 0 HA LEU A 52 5.920 -18.591 5.851 1.00 74.01 H new ATOM 0 HB2 LEU A 52 3.552 -16.760 5.817 1.00 14.25 H new ATOM 0 HB3 LEU A 52 3.756 -17.783 7.225 1.00 14.25 H new ATOM 0 HG LEU A 52 6.115 -16.839 7.422 1.00 42.21 H new ATOM 0 HD11 LEU A 52 6.502 -14.655 6.350 1.00 3.23 H new ATOM 0 HD12 LEU A 52 6.316 -15.956 5.150 1.00 3.23 H new ATOM 0 HD13 LEU A 52 4.974 -14.829 5.455 1.00 3.23 H new ATOM 0 HD21 LEU A 52 5.327 -14.777 8.516 1.00 42.22 H new ATOM 0 HD22 LEU A 52 3.752 -14.955 7.706 1.00 42.22 H new ATOM 0 HD23 LEU A 52 4.282 -16.166 8.896 1.00 42.22 H new ATOM 787 N SER A 53 4.659 -20.784 5.176 1.00 33.53 N ATOM 788 CA SER A 53 3.993 -22.080 5.244 1.00 31.04 C ATOM 789 C SER A 53 4.048 -22.645 6.660 1.00 21.43 C ATOM 790 O SER A 53 4.957 -22.334 7.430 1.00 12.51 O ATOM 791 CB SER A 53 4.640 -23.062 4.265 1.00 12.34 C ATOM 792 OG SER A 53 4.043 -24.344 4.360 1.00 43.32 O ATOM 0 H SER A 53 5.577 -20.804 4.731 1.00 33.53 H new ATOM 0 HA SER A 53 2.948 -21.939 4.968 1.00 31.04 H new ATOM 0 HB2 SER A 53 4.540 -22.685 3.247 1.00 12.34 H new ATOM 0 HB3 SER A 53 5.707 -23.138 4.473 1.00 12.34 H new ATOM 0 HG SER A 53 4.473 -24.953 3.723 1.00 43.32 H new ATOM 798 N ASP A 54 3.069 -23.479 6.996 1.00 4.53 N ATOM 799 CA ASP A 54 3.006 -24.089 8.319 1.00 74.41 C ATOM 800 C ASP A 54 3.109 -25.608 8.222 1.00 72.34 C ATOM 801 O ASP A 54 2.440 -26.234 7.398 1.00 2.13 O ATOM 802 CB ASP A 54 1.705 -23.698 9.023 1.00 62.24 C ATOM 803 CG ASP A 54 1.805 -23.815 10.531 1.00 61.42 C ATOM 804 OD1 ASP A 54 2.868 -23.465 11.084 1.00 4.44 O ATOM 805 OD2 ASP A 54 0.820 -24.257 11.158 1.00 73.24 O ATOM 0 H ASP A 54 2.309 -23.748 6.371 1.00 4.53 H new ATOM 0 HA ASP A 54 3.850 -23.722 8.902 1.00 74.41 H new ATOM 0 HB2 ASP A 54 1.445 -22.673 8.757 1.00 62.24 H new ATOM 0 HB3 ASP A 54 0.896 -24.335 8.665 1.00 62.24 H new ATOM 810 N ILE A 55 3.951 -26.194 9.066 1.00 71.30 N ATOM 811 CA ILE A 55 4.141 -27.639 9.075 1.00 61.44 C ATOM 812 C ILE A 55 3.405 -28.284 10.244 1.00 1.24 C ATOM 813 O ILE A 55 4.025 -28.740 11.205 1.00 11.14 O ATOM 814 CB ILE A 55 5.634 -28.010 9.155 1.00 72.21 C ATOM 815 CG1 ILE A 55 6.466 -27.052 8.300 1.00 23.32 C ATOM 816 CG2 ILE A 55 5.847 -29.449 8.708 1.00 11.21 C ATOM 817 CD1 ILE A 55 7.947 -27.364 8.312 1.00 54.54 C ATOM 0 H ILE A 55 4.513 -25.690 9.753 1.00 71.30 H new ATOM 0 HA ILE A 55 3.731 -28.017 8.138 1.00 61.44 H new ATOM 0 HB ILE A 55 5.961 -27.920 10.191 1.00 72.21 H new ATOM 0 HG12 ILE A 55 6.104 -27.087 7.273 1.00 23.32 H new ATOM 0 HG13 ILE A 55 6.314 -26.033 8.657 1.00 23.32 H new ATOM 0 HG21 ILE A 55 6.907 -29.696 8.770 1.00 11.21 H new ATOM 0 HG22 ILE A 55 5.280 -30.119 9.354 1.00 11.21 H new ATOM 0 HG23 ILE A 55 5.507 -29.564 7.679 1.00 11.21 H new ATOM 0 HD11 ILE A 55 8.475 -26.646 7.685 1.00 54.54 H new ATOM 0 HD12 ILE A 55 8.324 -27.301 9.333 1.00 54.54 H new ATOM 0 HD13 ILE A 55 8.110 -28.370 7.926 1.00 54.54 H new ATOM 829 N ARG A 56 2.080 -28.319 10.155 1.00 34.21 N ATOM 830 CA ARG A 56 1.259 -28.909 11.206 1.00 54.42 C ATOM 831 C ARG A 56 0.477 -30.108 10.677 1.00 41.31 C ATOM 832 O ARG A 56 -0.036 -30.916 11.450 1.00 60.32 O ATOM 833 CB ARG A 56 0.293 -27.867 11.773 1.00 54.54 C ATOM 834 CG ARG A 56 -0.870 -27.547 10.848 1.00 74.44 C ATOM 835 CD ARG A 56 -1.734 -26.426 11.404 1.00 23.24 C ATOM 836 NE ARG A 56 -2.216 -26.724 12.750 1.00 13.13 N ATOM 837 CZ ARG A 56 -1.578 -26.361 13.857 1.00 4.11 C ATOM 838 NH1 ARG A 56 -0.437 -25.690 13.778 1.00 2.13 N ATOM 839 NH2 ARG A 56 -2.080 -26.669 15.046 1.00 54.41 N ATOM 0 H ARG A 56 1.552 -27.946 9.366 1.00 34.21 H new ATOM 0 HA ARG A 56 1.922 -29.251 12.001 1.00 54.42 H new ATOM 0 HB2 ARG A 56 -0.099 -28.227 12.724 1.00 54.54 H new ATOM 0 HB3 ARG A 56 0.843 -26.950 11.982 1.00 54.54 H new ATOM 0 HG2 ARG A 56 -0.488 -27.261 9.868 1.00 74.44 H new ATOM 0 HG3 ARG A 56 -1.479 -28.440 10.705 1.00 74.44 H new ATOM 0 HD2 ARG A 56 -1.160 -25.500 11.421 1.00 23.24 H new ATOM 0 HD3 ARG A 56 -2.584 -26.261 10.742 1.00 23.24 H new ATOM 0 HE ARG A 56 -3.091 -27.239 12.845 1.00 13.13 H new ATOM 0 HH11 ARG A 56 -0.048 -25.452 12.866 1.00 2.13 H new ATOM 0 HH12 ARG A 56 0.051 -25.412 14.629 1.00 2.13 H new ATOM 0 HH21 ARG A 56 -2.957 -27.185 15.111 1.00 54.41 H new ATOM 0 HH22 ARG A 56 -1.589 -26.389 15.895 1.00 54.41 H new ATOM 853 N MET A 57 0.391 -30.215 9.355 1.00 11.10 N ATOM 854 CA MET A 57 -0.328 -31.316 8.723 1.00 5.52 C ATOM 855 C MET A 57 0.618 -32.470 8.404 1.00 14.43 C ATOM 856 O MET A 57 1.773 -32.271 8.029 1.00 23.52 O ATOM 857 CB MET A 57 -1.016 -30.836 7.444 1.00 45.13 C ATOM 858 CG MET A 57 -0.063 -30.205 6.441 1.00 23.31 C ATOM 859 SD MET A 57 -0.118 -28.403 6.469 1.00 72.33 S ATOM 860 CE MET A 57 1.049 -28.009 5.169 1.00 42.31 C ATOM 0 H MET A 57 0.810 -29.554 8.701 1.00 11.10 H new ATOM 0 HA MET A 57 -1.085 -31.672 9.422 1.00 5.52 H new ATOM 0 HB2 MET A 57 -1.519 -31.680 6.973 1.00 45.13 H new ATOM 0 HB3 MET A 57 -1.787 -30.111 7.706 1.00 45.13 H new ATOM 0 HG2 MET A 57 0.953 -30.537 6.653 1.00 23.31 H new ATOM 0 HG3 MET A 57 -0.311 -30.557 5.439 1.00 23.31 H new ATOM 0 HE1 MET A 57 0.776 -27.058 4.711 1.00 42.31 H new ATOM 0 HE2 MET A 57 2.051 -27.934 5.590 1.00 42.31 H new ATOM 0 HE3 MET A 57 1.031 -28.794 4.413 1.00 42.31 H new ATOM 870 N PRO A 58 0.117 -33.705 8.556 1.00 3.24 N ATOM 871 CA PRO A 58 0.901 -34.915 8.289 1.00 12.44 C ATOM 872 C PRO A 58 1.183 -35.106 6.803 1.00 24.13 C ATOM 873 O PRO A 58 0.928 -34.216 5.993 1.00 21.12 O ATOM 874 CB PRO A 58 0.005 -36.040 8.813 1.00 71.13 C ATOM 875 CG PRO A 58 -1.378 -35.490 8.736 1.00 24.41 C ATOM 876 CD PRO A 58 -1.252 -34.015 9.000 1.00 30.41 C ATOM 0 HA PRO A 58 1.882 -34.878 8.762 1.00 12.44 H new ATOM 0 HB2 PRO A 58 0.107 -36.941 8.208 1.00 71.13 H new ATOM 0 HB3 PRO A 58 0.267 -36.311 9.836 1.00 71.13 H new ATOM 0 HG2 PRO A 58 -1.818 -35.675 7.756 1.00 24.41 H new ATOM 0 HG3 PRO A 58 -2.028 -35.964 9.471 1.00 24.41 H new ATOM 0 HD2 PRO A 58 -1.994 -33.442 8.444 1.00 30.41 H new ATOM 0 HD3 PRO A 58 -1.395 -33.782 10.055 1.00 30.41 H new ATOM 884 N GLY A 59 1.712 -36.274 6.452 1.00 70.44 N ATOM 885 CA GLY A 59 2.020 -36.561 5.063 1.00 60.23 C ATOM 886 C GLY A 59 2.961 -35.540 4.455 1.00 60.12 C ATOM 887 O GLY A 59 4.174 -35.610 4.650 1.00 31.44 O ATOM 0 H GLY A 59 1.933 -37.026 7.104 1.00 70.44 H new ATOM 0 HA2 GLY A 59 2.468 -37.552 4.991 1.00 60.23 H new ATOM 0 HA3 GLY A 59 1.095 -36.587 4.487 1.00 60.23 H new ATOM 891 N MET A 60 2.401 -34.589 3.714 1.00 63.42 N ATOM 892 CA MET A 60 3.200 -33.550 3.075 1.00 54.33 C ATOM 893 C MET A 60 4.060 -32.817 4.100 1.00 73.42 C ATOM 894 O MET A 60 5.076 -32.215 3.754 1.00 22.12 O ATOM 895 CB MET A 60 2.293 -32.554 2.348 1.00 33.54 C ATOM 896 CG MET A 60 2.731 -32.261 0.923 1.00 61.22 C ATOM 897 SD MET A 60 1.351 -32.234 -0.237 1.00 34.32 S ATOM 898 CE MET A 60 1.334 -30.505 -0.704 1.00 23.22 C ATOM 0 H MET A 60 1.398 -34.517 3.542 1.00 63.42 H new ATOM 0 HA MET A 60 3.859 -34.028 2.350 1.00 54.33 H new ATOM 0 HB2 MET A 60 1.276 -32.945 2.333 1.00 33.54 H new ATOM 0 HB3 MET A 60 2.268 -31.621 2.911 1.00 33.54 H new ATOM 0 HG2 MET A 60 3.243 -31.299 0.895 1.00 61.22 H new ATOM 0 HG3 MET A 60 3.452 -33.015 0.606 1.00 61.22 H new ATOM 0 HE1 MET A 60 0.322 -30.214 -0.985 1.00 23.22 H new ATOM 0 HE2 MET A 60 1.666 -29.897 0.138 1.00 23.22 H new ATOM 0 HE3 MET A 60 2.004 -30.350 -1.550 1.00 23.22 H new ATOM 908 N ASP A 61 3.645 -32.873 5.361 1.00 64.23 N ATOM 909 CA ASP A 61 4.379 -32.216 6.436 1.00 14.33 C ATOM 910 C ASP A 61 4.255 -30.699 6.330 1.00 41.10 C ATOM 911 O ASP A 61 3.526 -30.070 7.096 1.00 62.10 O ATOM 912 CB ASP A 61 5.852 -32.624 6.401 1.00 3.43 C ATOM 913 CG ASP A 61 6.274 -33.378 7.647 1.00 40.21 C ATOM 914 OD1 ASP A 61 6.587 -32.720 8.661 1.00 50.21 O ATOM 915 OD2 ASP A 61 6.292 -34.626 7.608 1.00 60.14 O ATOM 0 H ASP A 61 2.805 -33.366 5.663 1.00 64.23 H new ATOM 0 HA ASP A 61 3.946 -32.533 7.385 1.00 14.33 H new ATOM 0 HB2 ASP A 61 6.033 -33.246 5.525 1.00 3.43 H new ATOM 0 HB3 ASP A 61 6.470 -31.733 6.292 1.00 3.43 H new ATOM 920 N GLY A 62 4.974 -30.117 5.375 1.00 42.02 N ATOM 921 CA GLY A 62 4.932 -28.679 5.187 1.00 40.43 C ATOM 922 C GLY A 62 6.128 -28.160 4.414 1.00 43.40 C ATOM 923 O GLY A 62 5.989 -27.300 3.543 1.00 72.35 O ATOM 0 H GLY A 62 5.585 -30.616 4.728 1.00 42.02 H new ATOM 0 HA2 GLY A 62 4.017 -28.411 4.658 1.00 40.43 H new ATOM 0 HA3 GLY A 62 4.892 -28.190 6.160 1.00 40.43 H new ATOM 927 N LEU A 63 7.308 -28.680 4.734 1.00 70.15 N ATOM 928 CA LEU A 63 8.535 -28.263 4.064 1.00 41.21 C ATOM 929 C LEU A 63 8.706 -28.994 2.736 1.00 3.41 C ATOM 930 O LEU A 63 9.500 -28.585 1.889 1.00 1.22 O ATOM 931 CB LEU A 63 9.745 -28.525 4.963 1.00 15.10 C ATOM 932 CG LEU A 63 9.681 -29.788 5.823 1.00 53.04 C ATOM 933 CD1 LEU A 63 9.384 -31.006 4.961 1.00 44.41 C ATOM 934 CD2 LEU A 63 10.982 -29.978 6.588 1.00 31.24 C ATOM 0 H LEU A 63 7.441 -29.391 5.453 1.00 70.15 H new ATOM 0 HA LEU A 63 8.464 -27.194 3.863 1.00 41.21 H new ATOM 0 HB2 LEU A 63 10.634 -28.582 4.335 1.00 15.10 H new ATOM 0 HB3 LEU A 63 9.875 -27.667 5.622 1.00 15.10 H new ATOM 0 HG LEU A 63 8.872 -29.673 6.544 1.00 53.04 H new ATOM 0 HD11 LEU A 63 9.342 -31.895 5.590 1.00 44.41 H new ATOM 0 HD12 LEU A 63 8.426 -30.871 4.459 1.00 44.41 H new ATOM 0 HD13 LEU A 63 10.171 -31.125 4.216 1.00 44.41 H new ATOM 0 HD21 LEU A 63 10.919 -30.881 7.195 1.00 31.24 H new ATOM 0 HD22 LEU A 63 11.808 -30.071 5.883 1.00 31.24 H new ATOM 0 HD23 LEU A 63 11.153 -29.118 7.235 1.00 31.24 H new ATOM 946 N ALA A 64 7.955 -30.076 2.561 1.00 52.42 N ATOM 947 CA ALA A 64 8.020 -30.861 1.334 1.00 3.35 C ATOM 948 C ALA A 64 8.001 -29.960 0.104 1.00 14.02 C ATOM 949 O ALA A 64 8.676 -30.234 -0.889 1.00 54.42 O ATOM 950 CB ALA A 64 6.869 -31.854 1.282 1.00 63.51 C ATOM 0 H ALA A 64 7.294 -30.429 3.253 1.00 52.42 H new ATOM 0 HA ALA A 64 8.961 -31.412 1.333 1.00 3.35 H new ATOM 0 HB1 ALA A 64 6.930 -32.433 0.361 1.00 63.51 H new ATOM 0 HB2 ALA A 64 6.929 -32.526 2.138 1.00 63.51 H new ATOM 0 HB3 ALA A 64 5.922 -31.315 1.310 1.00 63.51 H new ATOM 956 N LEU A 65 7.223 -28.885 0.176 1.00 71.50 N ATOM 957 CA LEU A 65 7.115 -27.944 -0.933 1.00 13.20 C ATOM 958 C LEU A 65 8.201 -26.876 -0.849 1.00 21.40 C ATOM 959 O LEU A 65 8.817 -26.521 -1.855 1.00 73.30 O ATOM 960 CB LEU A 65 5.735 -27.284 -0.935 1.00 34.12 C ATOM 961 CG LEU A 65 5.163 -26.920 0.436 1.00 74.52 C ATOM 962 CD1 LEU A 65 4.236 -25.719 0.326 1.00 23.31 C ATOM 963 CD2 LEU A 65 4.429 -28.109 1.040 1.00 52.12 C ATOM 0 H LEU A 65 6.658 -28.644 0.990 1.00 71.50 H new ATOM 0 HA LEU A 65 7.248 -28.499 -1.862 1.00 13.20 H new ATOM 0 HB2 LEU A 65 5.789 -26.377 -1.536 1.00 34.12 H new ATOM 0 HB3 LEU A 65 5.034 -27.955 -1.432 1.00 34.12 H new ATOM 0 HG LEU A 65 5.990 -26.656 1.095 1.00 74.52 H new ATOM 0 HD11 LEU A 65 3.839 -25.475 1.311 1.00 23.31 H new ATOM 0 HD12 LEU A 65 4.791 -24.865 -0.063 1.00 23.31 H new ATOM 0 HD13 LEU A 65 3.413 -25.955 -0.349 1.00 23.31 H new ATOM 0 HD21 LEU A 65 4.029 -27.832 2.015 1.00 52.12 H new ATOM 0 HD22 LEU A 65 3.611 -28.404 0.382 1.00 52.12 H new ATOM 0 HD23 LEU A 65 5.121 -28.943 1.155 1.00 52.12 H new ATOM 975 N LEU A 66 8.433 -26.370 0.357 1.00 42.21 N ATOM 976 CA LEU A 66 9.448 -25.344 0.573 1.00 33.14 C ATOM 977 C LEU A 66 10.781 -25.759 -0.040 1.00 41.23 C ATOM 978 O LEU A 66 11.517 -24.928 -0.572 1.00 45.24 O ATOM 979 CB LEU A 66 9.622 -25.080 2.070 1.00 44.51 C ATOM 980 CG LEU A 66 8.851 -23.886 2.635 1.00 24.10 C ATOM 981 CD1 LEU A 66 7.840 -24.347 3.673 1.00 74.14 C ATOM 982 CD2 LEU A 66 9.810 -22.869 3.237 1.00 13.21 C ATOM 0 H LEU A 66 7.933 -26.653 1.200 1.00 42.21 H new ATOM 0 HA LEU A 66 9.114 -24.428 0.084 1.00 33.14 H new ATOM 0 HB2 LEU A 66 9.317 -25.974 2.614 1.00 44.51 H new ATOM 0 HB3 LEU A 66 10.683 -24.930 2.271 1.00 44.51 H new ATOM 0 HG LEU A 66 8.310 -23.407 1.819 1.00 24.10 H new ATOM 0 HD11 LEU A 66 7.301 -23.484 4.064 1.00 74.14 H new ATOM 0 HD12 LEU A 66 7.134 -25.038 3.212 1.00 74.14 H new ATOM 0 HD13 LEU A 66 8.359 -24.850 4.488 1.00 74.14 H new ATOM 0 HD21 LEU A 66 9.244 -22.026 3.634 1.00 13.21 H new ATOM 0 HD22 LEU A 66 10.378 -23.336 4.042 1.00 13.21 H new ATOM 0 HD23 LEU A 66 10.496 -22.515 2.467 1.00 13.21 H new ATOM 994 N LYS A 67 11.085 -27.050 0.035 1.00 2.04 N ATOM 995 CA LYS A 67 12.328 -27.577 -0.515 1.00 70.43 C ATOM 996 C LYS A 67 12.495 -27.165 -1.974 1.00 50.32 C ATOM 997 O LYS A 67 13.615 -27.027 -2.465 1.00 22.33 O ATOM 998 CB LYS A 67 12.354 -29.103 -0.400 1.00 21.24 C ATOM 999 CG LYS A 67 12.357 -29.605 1.034 1.00 11.51 C ATOM 1000 CD LYS A 67 13.761 -29.625 1.615 1.00 72.10 C ATOM 1001 CE LYS A 67 14.626 -30.682 0.945 1.00 53.31 C ATOM 1002 NZ LYS A 67 15.674 -30.073 0.079 1.00 32.45 N ATOM 0 H LYS A 67 10.487 -27.751 0.472 1.00 2.04 H new ATOM 0 HA LYS A 67 13.155 -27.161 0.060 1.00 70.43 H new ATOM 0 HB2 LYS A 67 11.487 -29.513 -0.918 1.00 21.24 H new ATOM 0 HB3 LYS A 67 13.239 -29.482 -0.911 1.00 21.24 H new ATOM 0 HG2 LYS A 67 11.718 -28.967 1.645 1.00 11.51 H new ATOM 0 HG3 LYS A 67 11.933 -30.609 1.070 1.00 11.51 H new ATOM 0 HD2 LYS A 67 14.221 -28.645 1.491 1.00 72.10 H new ATOM 0 HD3 LYS A 67 13.710 -29.820 2.686 1.00 72.10 H new ATOM 0 HE2 LYS A 67 15.099 -31.301 1.707 1.00 53.31 H new ATOM 0 HE3 LYS A 67 13.997 -31.340 0.346 1.00 53.31 H new ATOM 0 HZ1 LYS A 67 15.927 -30.738 -0.680 1.00 32.45 H new ATOM 0 HZ2 LYS A 67 15.311 -29.193 -0.339 1.00 32.45 H new ATOM 0 HZ3 LYS A 67 16.517 -29.863 0.650 1.00 32.45 H new ATOM 1016 N GLN A 68 11.374 -26.968 -2.661 1.00 1.42 N ATOM 1017 CA GLN A 68 11.398 -26.570 -4.063 1.00 51.33 C ATOM 1018 C GLN A 68 11.489 -25.053 -4.197 1.00 73.25 C ATOM 1019 O GLN A 68 12.005 -24.538 -5.190 1.00 31.13 O ATOM 1020 CB GLN A 68 10.149 -27.083 -4.782 1.00 63.43 C ATOM 1021 CG GLN A 68 8.990 -26.100 -4.765 1.00 72.34 C ATOM 1022 CD GLN A 68 7.640 -26.789 -4.812 1.00 21.04 C ATOM 1023 OE1 GLN A 68 7.452 -27.764 -5.540 1.00 42.21 O ATOM 1024 NE2 GLN A 68 6.691 -26.285 -4.032 1.00 10.14 N ATOM 0 H GLN A 68 10.439 -27.078 -2.269 1.00 1.42 H new ATOM 0 HA GLN A 68 12.282 -27.011 -4.525 1.00 51.33 H new ATOM 0 HB2 GLN A 68 10.404 -27.313 -5.816 1.00 63.43 H new ATOM 0 HB3 GLN A 68 9.830 -28.016 -4.317 1.00 63.43 H new ATOM 0 HG2 GLN A 68 9.050 -25.488 -3.865 1.00 72.34 H new ATOM 0 HG3 GLN A 68 9.079 -25.425 -5.616 1.00 72.34 H new ATOM 0 HE21 GLN A 68 6.890 -25.476 -3.444 1.00 10.14 H new ATOM 0 HE22 GLN A 68 5.763 -26.707 -4.020 1.00 10.14 H new ATOM 1033 N ILE A 69 10.984 -24.344 -3.194 1.00 33.24 N ATOM 1034 CA ILE A 69 11.009 -22.887 -3.200 1.00 12.21 C ATOM 1035 C ILE A 69 12.440 -22.362 -3.170 1.00 41.54 C ATOM 1036 O ILE A 69 12.706 -21.228 -3.570 1.00 13.41 O ATOM 1037 CB ILE A 69 10.236 -22.305 -2.002 1.00 33.35 C ATOM 1038 CG1 ILE A 69 8.768 -22.733 -2.058 1.00 14.41 C ATOM 1039 CG2 ILE A 69 10.351 -20.788 -1.982 1.00 62.44 C ATOM 1040 CD1 ILE A 69 7.970 -22.318 -0.841 1.00 44.01 C ATOM 0 H ILE A 69 10.552 -24.755 -2.366 1.00 33.24 H new ATOM 0 HA ILE A 69 10.526 -22.567 -4.123 1.00 12.21 H new ATOM 0 HB ILE A 69 10.674 -22.694 -1.083 1.00 33.35 H new ATOM 0 HG12 ILE A 69 8.307 -22.305 -2.948 1.00 14.41 H new ATOM 0 HG13 ILE A 69 8.718 -23.817 -2.163 1.00 14.41 H new ATOM 0 HG21 ILE A 69 9.799 -20.392 -1.129 1.00 62.44 H new ATOM 0 HG22 ILE A 69 11.400 -20.504 -1.899 1.00 62.44 H new ATOM 0 HG23 ILE A 69 9.936 -20.379 -2.904 1.00 62.44 H new ATOM 0 HD11 ILE A 69 6.939 -22.655 -0.950 1.00 44.01 H new ATOM 0 HD12 ILE A 69 8.406 -22.768 0.051 1.00 44.01 H new ATOM 0 HD13 ILE A 69 7.989 -21.232 -0.746 1.00 44.01 H new ATOM 1052 N LYS A 70 13.360 -23.194 -2.696 1.00 24.30 N ATOM 1053 CA LYS A 70 14.766 -22.817 -2.617 1.00 5.33 C ATOM 1054 C LYS A 70 15.454 -22.993 -3.967 1.00 23.34 C ATOM 1055 O LYS A 70 16.384 -22.259 -4.300 1.00 15.40 O ATOM 1056 CB LYS A 70 15.482 -23.655 -1.554 1.00 53.34 C ATOM 1057 CG LYS A 70 14.811 -23.612 -0.192 1.00 52.44 C ATOM 1058 CD LYS A 70 15.400 -22.520 0.685 1.00 54.41 C ATOM 1059 CE LYS A 70 16.733 -22.943 1.282 1.00 42.54 C ATOM 1060 NZ LYS A 70 16.596 -24.145 2.149 1.00 23.11 N ATOM 0 H LYS A 70 13.157 -24.135 -2.360 1.00 24.30 H new ATOM 0 HA LYS A 70 14.818 -21.765 -2.337 1.00 5.33 H new ATOM 0 HB2 LYS A 70 15.532 -24.690 -1.892 1.00 53.34 H new ATOM 0 HB3 LYS A 70 16.508 -23.302 -1.455 1.00 53.34 H new ATOM 0 HG2 LYS A 70 13.742 -23.442 -0.317 1.00 52.44 H new ATOM 0 HG3 LYS A 70 14.925 -24.577 0.301 1.00 52.44 H new ATOM 0 HD2 LYS A 70 15.535 -21.613 0.096 1.00 54.41 H new ATOM 0 HD3 LYS A 70 14.701 -22.279 1.486 1.00 54.41 H new ATOM 0 HE2 LYS A 70 17.440 -23.153 0.479 1.00 42.54 H new ATOM 0 HE3 LYS A 70 17.147 -22.120 1.865 1.00 42.54 H new ATOM 0 HZ1 LYS A 70 17.282 -24.091 2.929 1.00 23.11 H new ATOM 0 HZ2 LYS A 70 15.632 -24.185 2.538 1.00 23.11 H new ATOM 0 HZ3 LYS A 70 16.778 -25.001 1.587 1.00 23.11 H new ATOM 1074 N GLN A 71 14.990 -23.971 -4.739 1.00 4.33 N ATOM 1075 CA GLN A 71 15.561 -24.242 -6.053 1.00 4.14 C ATOM 1076 C GLN A 71 14.842 -23.443 -7.134 1.00 43.42 C ATOM 1077 O GLN A 71 15.400 -23.180 -8.200 1.00 71.51 O ATOM 1078 CB GLN A 71 15.481 -25.737 -6.368 1.00 43.41 C ATOM 1079 CG GLN A 71 15.899 -26.082 -7.788 1.00 44.23 C ATOM 1080 CD GLN A 71 16.677 -27.381 -7.868 1.00 75.04 C ATOM 1081 OE1 GLN A 71 16.101 -28.451 -8.068 1.00 14.04 O ATOM 1082 NE2 GLN A 71 17.992 -27.295 -7.713 1.00 45.53 N ATOM 0 H GLN A 71 14.221 -24.588 -4.477 1.00 4.33 H new ATOM 0 HA GLN A 71 16.607 -23.937 -6.037 1.00 4.14 H new ATOM 0 HB2 GLN A 71 16.115 -26.282 -5.669 1.00 43.41 H new ATOM 0 HB3 GLN A 71 14.459 -26.080 -6.205 1.00 43.41 H new ATOM 0 HG2 GLN A 71 15.011 -26.155 -8.416 1.00 44.23 H new ATOM 0 HG3 GLN A 71 16.508 -25.273 -8.190 1.00 44.23 H new ATOM 0 HE21 GLN A 71 18.428 -26.388 -7.549 1.00 45.53 H new ATOM 0 HE22 GLN A 71 18.567 -28.136 -7.758 1.00 45.53 H new ATOM 1091 N ARG A 72 13.602 -23.058 -6.853 1.00 35.52 N ATOM 1092 CA ARG A 72 12.806 -22.290 -7.803 1.00 34.35 C ATOM 1093 C ARG A 72 12.846 -20.802 -7.467 1.00 60.25 C ATOM 1094 O ARG A 72 12.752 -19.953 -8.354 1.00 45.30 O ATOM 1095 CB ARG A 72 11.358 -22.784 -7.804 1.00 72.43 C ATOM 1096 CG ARG A 72 10.842 -23.155 -9.185 1.00 42.43 C ATOM 1097 CD ARG A 72 10.019 -22.029 -9.793 1.00 23.41 C ATOM 1098 NE ARG A 72 10.836 -20.859 -10.102 1.00 64.24 N ATOM 1099 CZ ARG A 72 10.464 -19.906 -10.950 1.00 22.24 C ATOM 1100 NH1 ARG A 72 9.294 -19.984 -11.568 1.00 30.31 N ATOM 1101 NH2 ARG A 72 11.263 -18.872 -11.179 1.00 50.22 N ATOM 0 H ARG A 72 13.126 -23.265 -5.975 1.00 35.52 H new ATOM 0 HA ARG A 72 13.233 -22.433 -8.796 1.00 34.35 H new ATOM 0 HB2 ARG A 72 11.279 -23.653 -7.150 1.00 72.43 H new ATOM 0 HB3 ARG A 72 10.718 -22.009 -7.383 1.00 72.43 H new ATOM 0 HG2 ARG A 72 11.683 -23.387 -9.839 1.00 42.43 H new ATOM 0 HG3 ARG A 72 10.233 -24.057 -9.117 1.00 42.43 H new ATOM 0 HD2 ARG A 72 9.536 -22.384 -10.703 1.00 23.41 H new ATOM 0 HD3 ARG A 72 9.226 -21.745 -9.101 1.00 23.41 H new ATOM 0 HE ARG A 72 11.742 -20.768 -9.642 1.00 64.24 H new ATOM 0 HH11 ARG A 72 8.677 -20.777 -11.393 1.00 30.31 H new ATOM 0 HH12 ARG A 72 9.011 -19.251 -12.218 1.00 30.31 H new ATOM 0 HH21 ARG A 72 12.163 -18.808 -10.704 1.00 50.22 H new ATOM 0 HH22 ARG A 72 10.977 -18.141 -11.830 1.00 50.22 H new ATOM 1115 N HIS A 73 12.986 -20.494 -6.182 1.00 15.10 N ATOM 1116 CA HIS A 73 13.038 -19.108 -5.730 1.00 24.25 C ATOM 1117 C HIS A 73 13.998 -18.957 -4.553 1.00 62.02 C ATOM 1118 O HIS A 73 13.589 -18.793 -3.404 1.00 33.53 O ATOM 1119 CB HIS A 73 11.643 -18.627 -5.330 1.00 4.52 C ATOM 1120 CG HIS A 73 10.556 -19.131 -6.228 1.00 13.55 C ATOM 1121 ND1 HIS A 73 10.305 -18.602 -7.476 1.00 53.30 N ATOM 1122 CD2 HIS A 73 9.652 -20.123 -6.052 1.00 52.33 C ATOM 1123 CE1 HIS A 73 9.292 -19.246 -8.029 1.00 45.42 C ATOM 1124 NE2 HIS A 73 8.878 -20.174 -7.186 1.00 4.12 N ATOM 0 H HIS A 73 13.065 -21.185 -5.436 1.00 15.10 H new ATOM 0 HA HIS A 73 13.402 -18.496 -6.555 1.00 24.25 H new ATOM 0 HB2 HIS A 73 11.436 -18.946 -4.309 1.00 4.52 H new ATOM 0 HB3 HIS A 73 11.629 -17.537 -5.332 1.00 4.52 H new ATOM 0 HD1 HIS A 73 10.820 -17.834 -7.905 1.00 53.30 H new ATOM 0 HD2 HIS A 73 9.557 -20.756 -5.182 1.00 52.33 H new ATOM 0 HE1 HIS A 73 8.874 -19.047 -9.005 1.00 45.42 H new ATOM 1132 N PRO A 74 15.306 -19.014 -4.845 1.00 1.52 N ATOM 1133 CA PRO A 74 16.351 -18.885 -3.825 1.00 31.34 C ATOM 1134 C PRO A 74 16.438 -17.472 -3.259 1.00 21.15 C ATOM 1135 O PRO A 74 16.571 -17.285 -2.050 1.00 1.15 O ATOM 1136 CB PRO A 74 17.633 -19.237 -4.583 1.00 72.44 C ATOM 1137 CG PRO A 74 17.330 -18.919 -6.007 1.00 0.21 C ATOM 1138 CD PRO A 74 15.866 -19.206 -6.193 1.00 71.41 C ATOM 0 HA PRO A 74 16.160 -19.525 -2.963 1.00 31.34 H new ATOM 0 HB2 PRO A 74 18.480 -18.656 -4.219 1.00 72.44 H new ATOM 0 HB3 PRO A 74 17.891 -20.289 -4.458 1.00 72.44 H new ATOM 0 HG2 PRO A 74 17.555 -17.876 -6.230 1.00 0.21 H new ATOM 0 HG3 PRO A 74 17.935 -19.526 -6.680 1.00 0.21 H new ATOM 0 HD2 PRO A 74 15.413 -18.528 -6.917 1.00 71.41 H new ATOM 0 HD3 PRO A 74 15.698 -20.220 -6.557 1.00 71.41 H new ATOM 1146 N MET A 75 16.362 -16.481 -4.140 1.00 53.33 N ATOM 1147 CA MET A 75 16.430 -15.084 -3.727 1.00 3.21 C ATOM 1148 C MET A 75 15.165 -14.676 -2.979 1.00 4.53 C ATOM 1149 O MET A 75 15.143 -13.656 -2.287 1.00 75.33 O ATOM 1150 CB MET A 75 16.632 -14.179 -4.944 1.00 14.11 C ATOM 1151 CG MET A 75 17.687 -13.105 -4.735 1.00 30.11 C ATOM 1152 SD MET A 75 17.091 -11.732 -3.729 1.00 62.14 S ATOM 1153 CE MET A 75 15.740 -11.133 -4.741 1.00 32.12 C ATOM 0 H MET A 75 16.253 -16.619 -5.145 1.00 53.33 H new ATOM 0 HA MET A 75 17.280 -14.971 -3.055 1.00 3.21 H new ATOM 0 HB2 MET A 75 16.914 -14.792 -5.800 1.00 14.11 H new ATOM 0 HB3 MET A 75 15.684 -13.702 -5.193 1.00 14.11 H new ATOM 0 HG2 MET A 75 18.561 -13.548 -4.257 1.00 30.11 H new ATOM 0 HG3 MET A 75 18.011 -12.726 -5.704 1.00 30.11 H new ATOM 0 HE1 MET A 75 15.793 -10.047 -4.813 1.00 32.12 H new ATOM 0 HE2 MET A 75 15.813 -11.567 -5.738 1.00 32.12 H new ATOM 0 HE3 MET A 75 14.791 -11.421 -4.288 1.00 32.12 H new ATOM 1163 N LEU A 76 14.115 -15.476 -3.121 1.00 52.12 N ATOM 1164 CA LEU A 76 12.845 -15.197 -2.459 1.00 23.55 C ATOM 1165 C LEU A 76 12.873 -15.668 -1.008 1.00 24.30 C ATOM 1166 O LEU A 76 13.045 -16.852 -0.717 1.00 70.20 O ATOM 1167 CB LEU A 76 11.697 -15.879 -3.206 1.00 4.34 C ATOM 1168 CG LEU A 76 10.410 -16.092 -2.408 1.00 3.21 C ATOM 1169 CD1 LEU A 76 9.860 -14.762 -1.918 1.00 13.43 C ATOM 1170 CD2 LEU A 76 9.375 -16.821 -3.251 1.00 71.52 C ATOM 0 H LEU A 76 14.117 -16.323 -3.689 1.00 52.12 H new ATOM 0 HA LEU A 76 12.687 -14.119 -2.469 1.00 23.55 H new ATOM 0 HB2 LEU A 76 11.460 -15.284 -4.088 1.00 4.34 H new ATOM 0 HB3 LEU A 76 12.046 -16.849 -3.560 1.00 4.34 H new ATOM 0 HG LEU A 76 10.641 -16.708 -1.539 1.00 3.21 H new ATOM 0 HD11 LEU A 76 8.944 -14.933 -1.352 1.00 13.43 H new ATOM 0 HD12 LEU A 76 10.597 -14.277 -1.278 1.00 13.43 H new ATOM 0 HD13 LEU A 76 9.644 -14.121 -2.772 1.00 13.43 H new ATOM 0 HD21 LEU A 76 8.466 -16.964 -2.667 1.00 71.52 H new ATOM 0 HD22 LEU A 76 9.147 -16.231 -4.139 1.00 71.52 H new ATOM 0 HD23 LEU A 76 9.769 -17.792 -3.552 1.00 71.52 H new ATOM 1182 N PRO A 77 12.699 -14.721 -0.075 1.00 10.14 N ATOM 1183 CA PRO A 77 12.697 -15.015 1.361 1.00 25.24 C ATOM 1184 C PRO A 77 11.464 -15.803 1.790 1.00 25.14 C ATOM 1185 O PRO A 77 10.346 -15.499 1.376 1.00 32.01 O ATOM 1186 CB PRO A 77 12.697 -13.628 2.008 1.00 41.31 C ATOM 1187 CG PRO A 77 12.081 -12.734 0.987 1.00 31.42 C ATOM 1188 CD PRO A 77 12.489 -13.290 -0.349 1.00 41.54 C ATOM 0 HA PRO A 77 13.545 -15.635 1.651 1.00 25.24 H new ATOM 0 HB2 PRO A 77 12.124 -13.624 2.935 1.00 41.31 H new ATOM 0 HB3 PRO A 77 13.709 -13.307 2.257 1.00 41.31 H new ATOM 0 HG2 PRO A 77 10.996 -12.716 1.088 1.00 31.42 H new ATOM 0 HG3 PRO A 77 12.429 -11.708 1.106 1.00 31.42 H new ATOM 0 HD2 PRO A 77 11.716 -13.134 -1.102 1.00 41.54 H new ATOM 0 HD3 PRO A 77 13.397 -12.815 -0.721 1.00 41.54 H new ATOM 1196 N VAL A 78 11.676 -16.817 2.624 1.00 60.14 N ATOM 1197 CA VAL A 78 10.581 -17.648 3.110 1.00 2.02 C ATOM 1198 C VAL A 78 10.754 -17.973 4.590 1.00 72.45 C ATOM 1199 O VAL A 78 11.856 -17.883 5.131 1.00 62.13 O ATOM 1200 CB VAL A 78 10.478 -18.963 2.315 1.00 24.10 C ATOM 1201 CG1 VAL A 78 9.181 -19.686 2.644 1.00 25.55 C ATOM 1202 CG2 VAL A 78 10.583 -18.692 0.822 1.00 52.12 C ATOM 0 H VAL A 78 12.596 -17.082 2.977 1.00 60.14 H new ATOM 0 HA VAL A 78 9.663 -17.076 2.971 1.00 2.02 H new ATOM 0 HB VAL A 78 11.308 -19.608 2.603 1.00 24.10 H new ATOM 0 HG11 VAL A 78 9.126 -20.613 2.073 1.00 25.55 H new ATOM 0 HG12 VAL A 78 9.152 -19.914 3.709 1.00 25.55 H new ATOM 0 HG13 VAL A 78 8.334 -19.050 2.386 1.00 25.55 H new ATOM 0 HG21 VAL A 78 10.508 -19.632 0.275 1.00 52.12 H new ATOM 0 HG22 VAL A 78 9.775 -18.028 0.515 1.00 52.12 H new ATOM 0 HG23 VAL A 78 11.542 -18.221 0.604 1.00 52.12 H new ATOM 1212 N ILE A 79 9.658 -18.353 5.238 1.00 52.40 N ATOM 1213 CA ILE A 79 9.689 -18.693 6.655 1.00 75.31 C ATOM 1214 C ILE A 79 9.101 -20.079 6.900 1.00 53.10 C ATOM 1215 O ILE A 79 8.096 -20.454 6.295 1.00 12.41 O ATOM 1216 CB ILE A 79 8.915 -17.663 7.499 1.00 74.15 C ATOM 1217 CG1 ILE A 79 9.254 -16.242 7.045 1.00 54.24 C ATOM 1218 CG2 ILE A 79 9.231 -17.843 8.976 1.00 44.04 C ATOM 1219 CD1 ILE A 79 8.534 -15.169 7.831 1.00 40.41 C ATOM 0 H ILE A 79 8.738 -18.433 4.805 1.00 52.40 H new ATOM 0 HA ILE A 79 10.736 -18.685 6.958 1.00 75.31 H new ATOM 0 HB ILE A 79 7.847 -17.826 7.354 1.00 74.15 H new ATOM 0 HG12 ILE A 79 10.329 -16.087 7.135 1.00 54.24 H new ATOM 0 HG13 ILE A 79 9.004 -16.137 5.989 1.00 54.24 H new ATOM 0 HG21 ILE A 79 8.676 -17.108 9.559 1.00 44.04 H new ATOM 0 HG22 ILE A 79 8.944 -18.847 9.290 1.00 44.04 H new ATOM 0 HG23 ILE A 79 10.300 -17.704 9.139 1.00 44.04 H new ATOM 0 HD11 ILE A 79 8.822 -14.187 7.455 1.00 40.41 H new ATOM 0 HD12 ILE A 79 7.457 -15.298 7.721 1.00 40.41 H new ATOM 0 HD13 ILE A 79 8.803 -15.247 8.884 1.00 40.41 H new ATOM 1231 N ILE A 80 9.733 -20.834 7.792 1.00 72.32 N ATOM 1232 CA ILE A 80 9.271 -22.177 8.119 1.00 35.41 C ATOM 1233 C ILE A 80 8.602 -22.210 9.489 1.00 13.11 C ATOM 1234 O ILE A 80 9.275 -22.254 10.518 1.00 34.55 O ATOM 1235 CB ILE A 80 10.430 -23.191 8.102 1.00 75.40 C ATOM 1236 CG1 ILE A 80 10.815 -23.534 6.661 1.00 3.34 C ATOM 1237 CG2 ILE A 80 10.044 -24.449 8.866 1.00 60.30 C ATOM 1238 CD1 ILE A 80 9.934 -24.592 6.035 1.00 1.30 C ATOM 0 H ILE A 80 10.566 -20.539 8.301 1.00 72.32 H new ATOM 0 HA ILE A 80 8.544 -22.455 7.356 1.00 35.41 H new ATOM 0 HB ILE A 80 11.294 -22.742 8.592 1.00 75.40 H new ATOM 0 HG12 ILE A 80 10.768 -22.629 6.056 1.00 3.34 H new ATOM 0 HG13 ILE A 80 11.850 -23.876 6.642 1.00 3.34 H new ATOM 0 HG21 ILE A 80 10.873 -25.156 8.845 1.00 60.30 H new ATOM 0 HG22 ILE A 80 9.813 -24.191 9.900 1.00 60.30 H new ATOM 0 HG23 ILE A 80 9.169 -24.903 8.401 1.00 60.30 H new ATOM 0 HD11 ILE A 80 10.265 -24.784 5.014 1.00 1.30 H new ATOM 0 HD12 ILE A 80 10.000 -25.511 6.617 1.00 1.30 H new ATOM 0 HD13 ILE A 80 8.901 -24.244 6.022 1.00 1.30 H new ATOM 1250 N MET A 81 7.273 -22.189 9.493 1.00 12.14 N ATOM 1251 CA MET A 81 6.512 -22.219 10.737 1.00 25.14 C ATOM 1252 C MET A 81 6.172 -23.653 11.132 1.00 54.35 C ATOM 1253 O MET A 81 5.524 -24.379 10.376 1.00 44.42 O ATOM 1254 CB MET A 81 5.229 -21.398 10.596 1.00 44.10 C ATOM 1255 CG MET A 81 5.399 -20.146 9.750 1.00 22.33 C ATOM 1256 SD MET A 81 3.882 -19.179 9.629 1.00 62.24 S ATOM 1257 CE MET A 81 2.717 -20.440 9.116 1.00 4.33 C ATOM 0 H MET A 81 6.701 -22.151 8.649 1.00 12.14 H new ATOM 0 HA MET A 81 7.129 -21.782 11.522 1.00 25.14 H new ATOM 0 HB2 MET A 81 4.454 -22.023 10.153 1.00 44.10 H new ATOM 0 HB3 MET A 81 4.880 -21.112 11.588 1.00 44.10 H new ATOM 0 HG2 MET A 81 6.187 -19.527 10.179 1.00 22.33 H new ATOM 0 HG3 MET A 81 5.725 -20.430 8.749 1.00 22.33 H new ATOM 0 HE1 MET A 81 2.040 -20.027 8.369 1.00 4.33 H new ATOM 0 HE2 MET A 81 3.259 -21.283 8.688 1.00 4.33 H new ATOM 0 HE3 MET A 81 2.143 -20.778 9.979 1.00 4.33 H new ATOM 1267 N THR A 82 6.611 -24.056 12.320 1.00 44.24 N ATOM 1268 CA THR A 82 6.354 -25.403 12.813 1.00 1.21 C ATOM 1269 C THR A 82 6.777 -25.544 14.271 1.00 75.31 C ATOM 1270 O THR A 82 6.126 -26.239 15.051 1.00 55.40 O ATOM 1271 CB THR A 82 7.093 -26.460 11.971 1.00 22.24 C ATOM 1272 OG1 THR A 82 6.675 -27.774 12.358 1.00 2.01 O ATOM 1273 CG2 THR A 82 8.599 -26.331 12.142 1.00 64.14 C ATOM 0 H THR A 82 7.147 -23.468 12.959 1.00 44.24 H new ATOM 0 HA THR A 82 5.280 -25.571 12.731 1.00 1.21 H new ATOM 0 HB THR A 82 6.847 -26.295 10.922 1.00 22.24 H new ATOM 0 HG1 THR A 82 5.709 -27.774 12.524 1.00 2.01 H new ATOM 0 HG21 THR A 82 9.100 -27.088 11.538 1.00 64.14 H new ATOM 0 HG22 THR A 82 8.918 -25.340 11.820 1.00 64.14 H new ATOM 0 HG23 THR A 82 8.860 -26.473 13.191 1.00 64.14 H new ATOM 1281 N ALA A 83 7.870 -24.881 14.632 1.00 20.14 N ATOM 1282 CA ALA A 83 8.377 -24.931 15.998 1.00 64.11 C ATOM 1283 C ALA A 83 8.606 -26.371 16.446 1.00 13.44 C ATOM 1284 O ALA A 83 8.440 -27.308 15.666 1.00 74.43 O ATOM 1285 CB ALA A 83 7.416 -24.228 16.944 1.00 10.43 C ATOM 0 H ALA A 83 8.422 -24.303 13.998 1.00 20.14 H new ATOM 0 HA ALA A 83 9.336 -24.414 16.023 1.00 64.11 H new ATOM 0 HB1 ALA A 83 7.808 -24.273 17.960 1.00 10.43 H new ATOM 0 HB2 ALA A 83 7.307 -23.186 16.643 1.00 10.43 H new ATOM 0 HB3 ALA A 83 6.444 -24.720 16.907 1.00 10.43 H new ATOM 1291 N HIS A 84 8.988 -26.539 17.708 1.00 1.13 N ATOM 1292 CA HIS A 84 9.239 -27.865 18.261 1.00 64.34 C ATOM 1293 C HIS A 84 10.406 -28.540 17.545 1.00 50.41 C ATOM 1294 O HIS A 84 11.192 -27.882 16.863 1.00 22.22 O ATOM 1295 CB HIS A 84 7.986 -28.734 18.148 1.00 41.32 C ATOM 1296 CG HIS A 84 6.709 -27.956 18.234 1.00 31.25 C ATOM 1297 ND1 HIS A 84 5.520 -28.398 17.693 1.00 64.41 N ATOM 1298 CD2 HIS A 84 6.438 -26.759 18.806 1.00 61.43 C ATOM 1299 CE1 HIS A 84 4.574 -27.506 17.926 1.00 61.52 C ATOM 1300 NE2 HIS A 84 5.105 -26.502 18.600 1.00 31.30 N ATOM 0 H HIS A 84 9.130 -25.773 18.367 1.00 1.13 H new ATOM 0 HA HIS A 84 9.498 -27.749 19.313 1.00 64.34 H new ATOM 0 HB2 HIS A 84 8.011 -29.272 17.200 1.00 41.32 H new ATOM 0 HB3 HIS A 84 8.000 -29.483 18.940 1.00 41.32 H new ATOM 0 HD2 HIS A 84 7.140 -26.125 19.327 1.00 61.43 H new ATOM 0 HE1 HIS A 84 3.542 -27.584 17.618 1.00 61.52 H new ATOM 0 HE2 HIS A 84 4.606 -25.671 18.916 1.00 31.30 H new ATOM 1308 N SER A 85 10.512 -29.855 17.706 1.00 41.24 N ATOM 1309 CA SER A 85 11.585 -30.617 17.079 1.00 63.43 C ATOM 1310 C SER A 85 11.603 -30.391 15.570 1.00 31.10 C ATOM 1311 O SER A 85 12.650 -30.485 14.929 1.00 10.13 O ATOM 1312 CB SER A 85 11.424 -32.109 17.380 1.00 14.54 C ATOM 1313 OG SER A 85 12.684 -32.734 17.549 1.00 33.34 O ATOM 0 H SER A 85 9.868 -30.415 18.265 1.00 41.24 H new ATOM 0 HA SER A 85 12.532 -30.270 17.492 1.00 63.43 H new ATOM 0 HB2 SER A 85 10.826 -32.239 18.282 1.00 14.54 H new ATOM 0 HB3 SER A 85 10.882 -32.591 16.566 1.00 14.54 H new ATOM 0 HG SER A 85 12.554 -33.686 17.742 1.00 33.34 H new ATOM 1319 N ASP A 86 10.436 -30.093 15.009 1.00 0.14 N ATOM 1320 CA ASP A 86 10.316 -29.852 13.576 1.00 13.12 C ATOM 1321 C ASP A 86 11.345 -28.827 13.109 1.00 31.42 C ATOM 1322 O ASP A 86 11.825 -28.885 11.976 1.00 33.52 O ATOM 1323 CB ASP A 86 8.905 -29.368 13.235 1.00 23.34 C ATOM 1324 CG ASP A 86 7.835 -30.345 13.681 1.00 11.11 C ATOM 1325 OD1 ASP A 86 7.503 -30.353 14.885 1.00 14.22 O ATOM 1326 OD2 ASP A 86 7.329 -31.101 12.826 1.00 53.31 O ATOM 0 H ASP A 86 9.560 -30.013 15.525 1.00 0.14 H new ATOM 0 HA ASP A 86 10.505 -30.792 13.058 1.00 13.12 H new ATOM 0 HB2 ASP A 86 8.731 -28.402 13.709 1.00 23.34 H new ATOM 0 HB3 ASP A 86 8.827 -29.214 12.159 1.00 23.34 H new ATOM 1331 N LEU A 87 11.679 -27.889 13.988 1.00 22.34 N ATOM 1332 CA LEU A 87 12.651 -26.850 13.666 1.00 22.22 C ATOM 1333 C LEU A 87 14.070 -27.410 13.674 1.00 31.31 C ATOM 1334 O LEU A 87 14.910 -27.013 12.866 1.00 15.43 O ATOM 1335 CB LEU A 87 12.541 -25.695 14.663 1.00 42.24 C ATOM 1336 CG LEU A 87 12.174 -24.333 14.073 1.00 41.40 C ATOM 1337 CD1 LEU A 87 10.823 -24.398 13.378 1.00 31.32 C ATOM 1338 CD2 LEU A 87 12.166 -23.266 15.159 1.00 65.25 C ATOM 0 H LEU A 87 11.291 -27.826 14.929 1.00 22.34 H new ATOM 0 HA LEU A 87 12.432 -26.480 12.664 1.00 22.22 H new ATOM 0 HB2 LEU A 87 11.794 -25.958 15.412 1.00 42.24 H new ATOM 0 HB3 LEU A 87 13.494 -25.598 15.184 1.00 42.24 H new ATOM 0 HG LEU A 87 12.928 -24.065 13.333 1.00 41.40 H new ATOM 0 HD11 LEU A 87 10.579 -23.419 12.965 1.00 31.32 H new ATOM 0 HD12 LEU A 87 10.863 -25.132 12.573 1.00 31.32 H new ATOM 0 HD13 LEU A 87 10.057 -24.689 14.097 1.00 31.32 H new ATOM 0 HD21 LEU A 87 11.903 -22.303 14.721 1.00 65.25 H new ATOM 0 HD22 LEU A 87 11.434 -23.530 15.923 1.00 65.25 H new ATOM 0 HD23 LEU A 87 13.155 -23.200 15.612 1.00 65.25 H new ATOM 1350 N ASP A 88 14.329 -28.337 14.590 1.00 4.32 N ATOM 1351 CA ASP A 88 15.646 -28.954 14.701 1.00 33.53 C ATOM 1352 C ASP A 88 16.089 -29.534 13.362 1.00 51.15 C ATOM 1353 O ASP A 88 17.283 -29.641 13.085 1.00 22.32 O ATOM 1354 CB ASP A 88 15.629 -30.053 15.766 1.00 51.24 C ATOM 1355 CG ASP A 88 16.874 -30.041 16.630 1.00 45.32 C ATOM 1356 OD1 ASP A 88 16.941 -29.215 17.564 1.00 15.34 O ATOM 1357 OD2 ASP A 88 17.783 -30.858 16.372 1.00 12.31 O ATOM 0 H ASP A 88 13.645 -28.677 15.266 1.00 4.32 H new ATOM 0 HA ASP A 88 16.358 -28.183 14.996 1.00 33.53 H new ATOM 0 HB2 ASP A 88 14.750 -29.928 16.399 1.00 51.24 H new ATOM 0 HB3 ASP A 88 15.537 -31.024 15.280 1.00 51.24 H new ATOM 1362 N ALA A 89 15.118 -29.907 12.534 1.00 43.32 N ATOM 1363 CA ALA A 89 15.408 -30.474 11.223 1.00 63.31 C ATOM 1364 C ALA A 89 15.596 -29.378 10.180 1.00 65.35 C ATOM 1365 O ALA A 89 16.317 -29.559 9.199 1.00 64.12 O ATOM 1366 CB ALA A 89 14.296 -31.422 10.800 1.00 32.44 C ATOM 0 H ALA A 89 14.124 -29.827 12.748 1.00 43.32 H new ATOM 0 HA ALA A 89 16.340 -31.034 11.295 1.00 63.31 H new ATOM 0 HB1 ALA A 89 14.526 -31.838 9.819 1.00 32.44 H new ATOM 0 HB2 ALA A 89 14.211 -32.230 11.526 1.00 32.44 H new ATOM 0 HB3 ALA A 89 13.353 -30.878 10.751 1.00 32.44 H new ATOM 1372 N ALA A 90 14.943 -28.242 10.397 1.00 11.24 N ATOM 1373 CA ALA A 90 15.040 -27.116 9.476 1.00 33.24 C ATOM 1374 C ALA A 90 16.261 -26.257 9.785 1.00 22.45 C ATOM 1375 O ALA A 90 16.727 -25.495 8.939 1.00 51.43 O ATOM 1376 CB ALA A 90 13.773 -26.276 9.535 1.00 53.20 C ATOM 0 H ALA A 90 14.340 -28.076 11.203 1.00 11.24 H new ATOM 0 HA ALA A 90 15.154 -27.513 8.467 1.00 33.24 H new ATOM 0 HB1 ALA A 90 13.859 -25.439 8.842 1.00 53.20 H new ATOM 0 HB2 ALA A 90 12.916 -26.890 9.257 1.00 53.20 H new ATOM 0 HB3 ALA A 90 13.635 -25.897 10.547 1.00 53.20 H new ATOM 1382 N VAL A 91 16.776 -26.386 11.004 1.00 1.43 N ATOM 1383 CA VAL A 91 17.944 -25.621 11.425 1.00 22.32 C ATOM 1384 C VAL A 91 19.061 -25.710 10.391 1.00 31.32 C ATOM 1385 O VAL A 91 19.532 -24.693 9.882 1.00 23.34 O ATOM 1386 CB VAL A 91 18.477 -26.113 12.784 1.00 62.31 C ATOM 1387 CG1 VAL A 91 19.854 -25.529 13.061 1.00 62.53 C ATOM 1388 CG2 VAL A 91 17.504 -25.757 13.898 1.00 63.31 C ATOM 0 H VAL A 91 16.403 -27.013 11.717 1.00 1.43 H new ATOM 0 HA VAL A 91 17.625 -24.583 11.522 1.00 22.32 H new ATOM 0 HB VAL A 91 18.570 -27.198 12.747 1.00 62.31 H new ATOM 0 HG11 VAL A 91 20.214 -25.888 14.025 1.00 62.53 H new ATOM 0 HG12 VAL A 91 20.545 -25.839 12.277 1.00 62.53 H new ATOM 0 HG13 VAL A 91 19.791 -24.441 13.079 1.00 62.53 H new ATOM 0 HG21 VAL A 91 17.896 -26.112 14.851 1.00 63.31 H new ATOM 0 HG22 VAL A 91 17.377 -24.675 13.938 1.00 63.31 H new ATOM 0 HG23 VAL A 91 16.541 -26.228 13.704 1.00 63.31 H new ATOM 1398 N SER A 92 19.480 -26.934 10.084 1.00 14.13 N ATOM 1399 CA SER A 92 20.544 -27.156 9.113 1.00 70.34 C ATOM 1400 C SER A 92 19.979 -27.244 7.698 1.00 13.12 C ATOM 1401 O SER A 92 20.537 -26.679 6.759 1.00 44.43 O ATOM 1402 CB SER A 92 21.310 -28.437 9.448 1.00 21.31 C ATOM 1403 OG SER A 92 21.912 -28.990 8.290 1.00 12.21 O ATOM 0 H SER A 92 19.098 -27.787 10.494 1.00 14.13 H new ATOM 0 HA SER A 92 21.228 -26.309 9.161 1.00 70.34 H new ATOM 0 HB2 SER A 92 22.077 -28.222 10.192 1.00 21.31 H new ATOM 0 HB3 SER A 92 20.631 -29.165 9.891 1.00 21.31 H new ATOM 0 HG SER A 92 22.397 -29.807 8.532 1.00 12.21 H new ATOM 1409 N ALA A 93 18.866 -27.957 7.555 1.00 25.24 N ATOM 1410 CA ALA A 93 18.224 -28.118 6.257 1.00 35.02 C ATOM 1411 C ALA A 93 17.815 -26.769 5.676 1.00 43.31 C ATOM 1412 O ALA A 93 18.307 -26.361 4.623 1.00 11.02 O ATOM 1413 CB ALA A 93 17.012 -29.031 6.378 1.00 65.24 C ATOM 0 H ALA A 93 18.391 -28.432 8.322 1.00 25.24 H new ATOM 0 HA ALA A 93 18.944 -28.574 5.577 1.00 35.02 H new ATOM 0 HB1 ALA A 93 16.542 -29.143 5.401 1.00 65.24 H new ATOM 0 HB2 ALA A 93 17.328 -30.008 6.743 1.00 65.24 H new ATOM 0 HB3 ALA A 93 16.297 -28.596 7.077 1.00 65.24 H new ATOM 1419 N TYR A 94 16.914 -26.081 6.367 1.00 15.40 N ATOM 1420 CA TYR A 94 16.437 -24.778 5.917 1.00 32.12 C ATOM 1421 C TYR A 94 17.599 -23.807 5.732 1.00 72.15 C ATOM 1422 O TYR A 94 17.477 -22.804 5.028 1.00 31.54 O ATOM 1423 CB TYR A 94 15.434 -24.205 6.920 1.00 53.34 C ATOM 1424 CG TYR A 94 14.482 -23.197 6.315 1.00 23.01 C ATOM 1425 CD1 TYR A 94 13.887 -23.427 5.081 1.00 62.21 C ATOM 1426 CD2 TYR A 94 14.178 -22.015 6.979 1.00 53.10 C ATOM 1427 CE1 TYR A 94 13.018 -22.509 4.525 1.00 40.23 C ATOM 1428 CE2 TYR A 94 13.308 -21.092 6.431 1.00 44.50 C ATOM 1429 CZ TYR A 94 12.732 -21.343 5.204 1.00 54.25 C ATOM 1430 OH TYR A 94 11.865 -20.426 4.653 1.00 21.15 O ATOM 0 H TYR A 94 16.499 -26.403 7.241 1.00 15.40 H new ATOM 0 HA TYR A 94 15.943 -24.912 4.955 1.00 32.12 H new ATOM 0 HB2 TYR A 94 14.858 -25.023 7.352 1.00 53.34 H new ATOM 0 HB3 TYR A 94 15.979 -23.733 7.737 1.00 53.34 H new ATOM 0 HD1 TYR A 94 14.108 -24.340 4.547 1.00 62.21 H new ATOM 0 HD2 TYR A 94 14.629 -21.814 7.939 1.00 53.10 H new ATOM 0 HE1 TYR A 94 12.565 -22.703 3.564 1.00 40.23 H new ATOM 0 HE2 TYR A 94 13.080 -20.179 6.961 1.00 44.50 H new ATOM 0 HH TYR A 94 12.281 -19.539 4.657 1.00 21.15 H new ATOM 1440 N GLN A 95 18.725 -24.114 6.367 1.00 0.22 N ATOM 1441 CA GLN A 95 19.910 -23.269 6.273 1.00 55.24 C ATOM 1442 C GLN A 95 20.537 -23.364 4.886 1.00 61.42 C ATOM 1443 O GLN A 95 21.583 -22.770 4.626 1.00 21.41 O ATOM 1444 CB GLN A 95 20.933 -23.668 7.337 1.00 11.21 C ATOM 1445 CG GLN A 95 20.999 -22.703 8.510 1.00 51.43 C ATOM 1446 CD GLN A 95 21.805 -21.458 8.196 1.00 10.42 C ATOM 1447 OE1 GLN A 95 23.025 -21.436 8.363 1.00 52.51 O ATOM 1448 NE2 GLN A 95 21.126 -20.412 7.739 1.00 61.02 N ATOM 0 H GLN A 95 18.842 -24.941 6.952 1.00 0.22 H new ATOM 0 HA GLN A 95 19.604 -22.237 6.444 1.00 55.24 H new ATOM 0 HB2 GLN A 95 20.689 -24.663 7.709 1.00 11.21 H new ATOM 0 HB3 GLN A 95 21.918 -23.734 6.875 1.00 11.21 H new ATOM 0 HG2 GLN A 95 19.987 -22.414 8.795 1.00 51.43 H new ATOM 0 HG3 GLN A 95 21.440 -23.210 9.368 1.00 51.43 H new ATOM 0 HE21 GLN A 95 20.115 -20.474 7.616 1.00 61.02 H new ATOM 0 HE22 GLN A 95 21.615 -19.546 7.511 1.00 61.02 H new ATOM 1457 N GLN A 96 19.891 -24.116 4.000 1.00 43.10 N ATOM 1458 CA GLN A 96 20.388 -24.290 2.640 1.00 13.40 C ATOM 1459 C GLN A 96 20.160 -23.029 1.812 1.00 21.13 C ATOM 1460 O GLN A 96 20.034 -23.091 0.590 1.00 33.31 O ATOM 1461 CB GLN A 96 19.702 -25.483 1.973 1.00 52.03 C ATOM 1462 CG GLN A 96 20.358 -26.817 2.289 1.00 65.01 C ATOM 1463 CD GLN A 96 19.406 -27.987 2.139 1.00 53.42 C ATOM 1464 OE1 GLN A 96 18.190 -27.832 2.263 1.00 64.14 O ATOM 1465 NE2 GLN A 96 19.954 -29.166 1.870 1.00 35.01 N ATOM 0 H GLN A 96 19.023 -24.614 4.199 1.00 43.10 H new ATOM 0 HA GLN A 96 21.460 -24.479 2.693 1.00 13.40 H new ATOM 0 HB2 GLN A 96 18.660 -25.516 2.290 1.00 52.03 H new ATOM 0 HB3 GLN A 96 19.702 -25.334 0.893 1.00 52.03 H new ATOM 0 HG2 GLN A 96 21.213 -26.962 1.628 1.00 65.01 H new ATOM 0 HG3 GLN A 96 20.743 -26.795 3.309 1.00 65.01 H new ATOM 0 HE21 GLN A 96 20.966 -29.248 1.776 1.00 35.01 H new ATOM 0 HE22 GLN A 96 19.363 -29.989 1.758 1.00 35.01 H new ATOM 1474 N GLY A 97 20.108 -21.885 2.487 1.00 5.34 N ATOM 1475 CA GLY A 97 19.896 -20.626 1.798 1.00 15.40 C ATOM 1476 C GLY A 97 18.510 -20.060 2.038 1.00 74.40 C ATOM 1477 O GLY A 97 17.928 -19.429 1.156 1.00 4.21 O ATOM 0 H GLY A 97 20.209 -21.808 3.499 1.00 5.34 H new ATOM 0 HA2 GLY A 97 20.642 -19.904 2.129 1.00 15.40 H new ATOM 0 HA3 GLY A 97 20.046 -20.771 0.728 1.00 15.40 H new ATOM 1481 N ALA A 98 17.978 -20.289 3.234 1.00 1.14 N ATOM 1482 CA ALA A 98 16.652 -19.798 3.588 1.00 40.44 C ATOM 1483 C ALA A 98 16.734 -18.727 4.670 1.00 52.40 C ATOM 1484 O ALA A 98 17.772 -18.554 5.310 1.00 54.05 O ATOM 1485 CB ALA A 98 15.768 -20.948 4.046 1.00 11.23 C ATOM 0 H ALA A 98 18.445 -20.812 3.975 1.00 1.14 H new ATOM 0 HA ALA A 98 16.210 -19.346 2.700 1.00 40.44 H new ATOM 0 HB1 ALA A 98 14.781 -20.566 4.307 1.00 11.23 H new ATOM 0 HB2 ALA A 98 15.674 -21.677 3.241 1.00 11.23 H new ATOM 0 HB3 ALA A 98 16.215 -21.425 4.918 1.00 11.23 H new ATOM 1491 N PHE A 99 15.633 -18.009 4.870 1.00 44.21 N ATOM 1492 CA PHE A 99 15.581 -16.953 5.874 1.00 4.22 C ATOM 1493 C PHE A 99 15.222 -17.522 7.244 1.00 41.23 C ATOM 1494 O PHE A 99 14.498 -18.513 7.346 1.00 45.43 O ATOM 1495 CB PHE A 99 14.563 -15.885 5.470 1.00 51.11 C ATOM 1496 CG PHE A 99 14.245 -14.913 6.570 1.00 41.32 C ATOM 1497 CD1 PHE A 99 15.001 -13.763 6.736 1.00 75.02 C ATOM 1498 CD2 PHE A 99 13.191 -15.148 7.437 1.00 33.03 C ATOM 1499 CE1 PHE A 99 14.711 -12.867 7.748 1.00 74.34 C ATOM 1500 CE2 PHE A 99 12.896 -14.256 8.451 1.00 53.43 C ATOM 1501 CZ PHE A 99 13.656 -13.113 8.605 1.00 22.23 C ATOM 0 H PHE A 99 14.765 -18.140 4.350 1.00 44.21 H new ATOM 0 HA PHE A 99 16.569 -16.497 5.937 1.00 4.22 H new ATOM 0 HB2 PHE A 99 14.947 -15.336 4.610 1.00 51.11 H new ATOM 0 HB3 PHE A 99 13.643 -16.374 5.151 1.00 51.11 H new ATOM 0 HD1 PHE A 99 15.826 -13.565 6.067 1.00 75.02 H new ATOM 0 HD2 PHE A 99 12.592 -16.039 7.319 1.00 33.03 H new ATOM 0 HE1 PHE A 99 15.309 -11.976 7.868 1.00 74.34 H new ATOM 0 HE2 PHE A 99 12.073 -14.453 9.122 1.00 53.43 H new ATOM 0 HZ PHE A 99 13.426 -12.413 9.394 1.00 22.23 H new ATOM 1511 N ASP A 100 15.733 -16.888 8.293 1.00 23.34 N ATOM 1512 CA ASP A 100 15.467 -17.330 9.657 1.00 33.04 C ATOM 1513 C ASP A 100 13.981 -17.616 9.856 1.00 44.15 C ATOM 1514 O ASP A 100 13.169 -16.696 9.951 1.00 40.45 O ATOM 1515 CB ASP A 100 15.933 -16.273 10.659 1.00 3.51 C ATOM 1516 CG ASP A 100 15.854 -16.758 12.093 1.00 62.41 C ATOM 1517 OD1 ASP A 100 16.700 -17.589 12.485 1.00 3.31 O ATOM 1518 OD2 ASP A 100 14.946 -16.309 12.823 1.00 74.12 O ATOM 0 H ASP A 100 16.334 -16.066 8.225 1.00 23.34 H new ATOM 0 HA ASP A 100 16.023 -18.252 9.828 1.00 33.04 H new ATOM 0 HB2 ASP A 100 16.960 -15.989 10.431 1.00 3.51 H new ATOM 0 HB3 ASP A 100 15.322 -15.377 10.548 1.00 3.51 H new ATOM 1523 N TYR A 101 13.634 -18.896 9.916 1.00 73.52 N ATOM 1524 CA TYR A 101 12.246 -19.304 10.099 1.00 53.21 C ATOM 1525 C TYR A 101 11.668 -18.709 11.379 1.00 13.14 C ATOM 1526 O TYR A 101 12.327 -17.929 12.069 1.00 73.24 O ATOM 1527 CB TYR A 101 12.141 -20.829 10.140 1.00 60.35 C ATOM 1528 CG TYR A 101 13.200 -21.486 10.996 1.00 33.31 C ATOM 1529 CD1 TYR A 101 13.386 -21.104 12.319 1.00 21.41 C ATOM 1530 CD2 TYR A 101 14.014 -22.488 10.483 1.00 41.14 C ATOM 1531 CE1 TYR A 101 14.353 -21.701 13.105 1.00 34.24 C ATOM 1532 CE2 TYR A 101 14.982 -23.091 11.262 1.00 71.31 C ATOM 1533 CZ TYR A 101 15.148 -22.694 12.572 1.00 35.55 C ATOM 1534 OH TYR A 101 16.112 -23.292 13.352 1.00 75.13 O ATOM 0 H TYR A 101 14.295 -19.670 9.841 1.00 73.52 H new ATOM 0 HA TYR A 101 11.670 -18.930 9.253 1.00 53.21 H new ATOM 0 HB2 TYR A 101 11.157 -21.107 10.517 1.00 60.35 H new ATOM 0 HB3 TYR A 101 12.214 -21.217 9.124 1.00 60.35 H new ATOM 0 HD1 TYR A 101 12.764 -20.328 12.740 1.00 21.41 H new ATOM 0 HD2 TYR A 101 13.888 -22.801 9.457 1.00 41.14 H new ATOM 0 HE1 TYR A 101 14.486 -21.392 14.131 1.00 34.24 H new ATOM 0 HE2 TYR A 101 15.606 -23.869 10.847 1.00 71.31 H new ATOM 0 HH TYR A 101 16.999 -23.099 12.982 1.00 75.13 H new ATOM 1544 N LEU A 102 10.432 -19.083 11.692 1.00 0.22 N ATOM 1545 CA LEU A 102 9.763 -18.588 12.890 1.00 1.05 C ATOM 1546 C LEU A 102 8.897 -19.675 13.519 1.00 24.11 C ATOM 1547 O LEU A 102 7.904 -20.121 12.945 1.00 14.01 O ATOM 1548 CB LEU A 102 8.904 -17.368 12.552 1.00 23.21 C ATOM 1549 CG LEU A 102 7.693 -17.129 13.455 1.00 45.44 C ATOM 1550 CD1 LEU A 102 8.134 -16.597 14.809 1.00 5.15 C ATOM 1551 CD2 LEU A 102 6.718 -16.166 12.794 1.00 52.23 C ATOM 0 H LEU A 102 9.873 -19.727 11.133 1.00 0.22 H new ATOM 0 HA LEU A 102 10.529 -18.297 13.609 1.00 1.05 H new ATOM 0 HB2 LEU A 102 9.538 -16.482 12.586 1.00 23.21 H new ATOM 0 HB3 LEU A 102 8.552 -17.469 11.525 1.00 23.21 H new ATOM 0 HG LEU A 102 7.185 -18.081 13.610 1.00 45.44 H new ATOM 0 HD11 LEU A 102 7.259 -16.433 15.438 1.00 5.15 H new ATOM 0 HD12 LEU A 102 8.794 -17.321 15.287 1.00 5.15 H new ATOM 0 HD13 LEU A 102 8.666 -15.655 14.674 1.00 5.15 H new ATOM 0 HD21 LEU A 102 5.862 -16.007 13.450 1.00 52.23 H new ATOM 0 HD22 LEU A 102 7.216 -15.214 12.610 1.00 52.23 H new ATOM 0 HD23 LEU A 102 6.377 -16.586 11.848 1.00 52.23 H new ATOM 1563 N PRO A 103 9.280 -20.112 14.728 1.00 4.42 N ATOM 1564 CA PRO A 103 8.551 -21.150 15.463 1.00 42.24 C ATOM 1565 C PRO A 103 7.194 -20.663 15.960 1.00 62.42 C ATOM 1566 O PRO A 103 7.059 -19.528 16.417 1.00 22.22 O ATOM 1567 CB PRO A 103 9.473 -21.462 16.644 1.00 71.40 C ATOM 1568 CG PRO A 103 10.272 -20.220 16.840 1.00 34.23 C ATOM 1569 CD PRO A 103 10.455 -19.625 15.472 1.00 54.14 C ATOM 0 HA PRO A 103 8.331 -22.015 14.837 1.00 42.24 H new ATOM 0 HB2 PRO A 103 8.901 -21.710 17.538 1.00 71.40 H new ATOM 0 HB3 PRO A 103 10.115 -22.316 16.430 1.00 71.40 H new ATOM 0 HG2 PRO A 103 9.756 -19.525 17.502 1.00 34.23 H new ATOM 0 HG3 PRO A 103 11.234 -20.444 17.300 1.00 34.23 H new ATOM 0 HD2 PRO A 103 10.485 -18.536 15.508 1.00 54.14 H new ATOM 0 HD3 PRO A 103 11.387 -19.954 15.012 1.00 54.14 H new ATOM 1577 N LYS A 104 6.191 -21.529 15.868 1.00 34.21 N ATOM 1578 CA LYS A 104 4.843 -21.189 16.310 1.00 23.31 C ATOM 1579 C LYS A 104 4.538 -21.825 17.663 1.00 72.25 C ATOM 1580 O LYS A 104 5.033 -22.902 17.995 1.00 32.40 O ATOM 1581 CB LYS A 104 3.814 -21.648 15.275 1.00 52.22 C ATOM 1582 CG LYS A 104 3.490 -20.593 14.231 1.00 35.11 C ATOM 1583 CD LYS A 104 2.514 -21.119 13.192 1.00 54.42 C ATOM 1584 CE LYS A 104 1.080 -21.066 13.696 1.00 12.25 C ATOM 1585 NZ LYS A 104 0.442 -19.749 13.419 1.00 3.12 N ATOM 0 H LYS A 104 6.286 -22.472 15.491 1.00 34.21 H new ATOM 0 HA LYS A 104 4.784 -20.106 16.416 1.00 23.31 H new ATOM 0 HB2 LYS A 104 4.188 -22.540 14.774 1.00 52.22 H new ATOM 0 HB3 LYS A 104 2.896 -21.933 15.789 1.00 52.22 H new ATOM 0 HG2 LYS A 104 3.066 -19.715 14.719 1.00 35.11 H new ATOM 0 HG3 LYS A 104 4.408 -20.272 13.739 1.00 35.11 H new ATOM 0 HD2 LYS A 104 2.602 -20.531 12.279 1.00 54.42 H new ATOM 0 HD3 LYS A 104 2.773 -22.146 12.936 1.00 54.42 H new ATOM 0 HE2 LYS A 104 0.499 -21.857 13.222 1.00 12.25 H new ATOM 0 HE3 LYS A 104 1.065 -21.258 14.769 1.00 12.25 H new ATOM 0 HZ1 LYS A 104 -0.539 -19.760 13.763 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 0.971 -18.998 13.906 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 0.448 -19.569 12.395 1.00 3.12 H new ATOM 1599 N PRO A 105 3.702 -21.146 18.462 1.00 40.43 N ATOM 1600 CA PRO A 105 3.107 -19.862 18.077 1.00 62.32 C ATOM 1601 C PRO A 105 4.135 -18.737 18.032 1.00 64.15 C ATOM 1602 O PRO A 105 5.314 -18.948 18.316 1.00 24.33 O ATOM 1603 CB PRO A 105 2.079 -19.603 19.181 1.00 52.34 C ATOM 1604 CG PRO A 105 2.588 -20.360 20.358 1.00 12.02 C ATOM 1605 CD PRO A 105 3.274 -21.577 19.803 1.00 72.42 C ATOM 0 HA PRO A 105 2.678 -19.895 17.075 1.00 62.32 H new ATOM 0 HB2 PRO A 105 1.994 -18.539 19.401 1.00 52.34 H new ATOM 0 HB3 PRO A 105 1.087 -19.948 18.887 1.00 52.34 H new ATOM 0 HG2 PRO A 105 3.281 -19.754 20.942 1.00 12.02 H new ATOM 0 HG3 PRO A 105 1.772 -20.642 21.023 1.00 12.02 H new ATOM 0 HD2 PRO A 105 4.122 -21.876 20.419 1.00 72.42 H new ATOM 0 HD3 PRO A 105 2.599 -22.431 19.754 1.00 72.42 H new ATOM 1613 N PHE A 106 3.681 -17.541 17.672 1.00 3.03 N ATOM 1614 CA PHE A 106 4.563 -16.382 17.589 1.00 35.03 C ATOM 1615 C PHE A 106 3.777 -15.087 17.772 1.00 14.03 C ATOM 1616 O PHE A 106 2.554 -15.065 17.630 1.00 12.04 O ATOM 1617 CB PHE A 106 5.291 -16.364 16.244 1.00 40.11 C ATOM 1618 CG PHE A 106 4.365 -16.363 15.061 1.00 24.10 C ATOM 1619 CD1 PHE A 106 3.622 -15.237 14.747 1.00 12.02 C ATOM 1620 CD2 PHE A 106 4.239 -17.489 14.263 1.00 14.22 C ATOM 1621 CE1 PHE A 106 2.769 -15.233 13.659 1.00 3.32 C ATOM 1622 CE2 PHE A 106 3.388 -17.490 13.174 1.00 62.33 C ATOM 1623 CZ PHE A 106 2.652 -16.361 12.872 1.00 33.40 C ATOM 0 H PHE A 106 2.708 -17.349 17.433 1.00 3.03 H new ATOM 0 HA PHE A 106 5.298 -16.457 18.391 1.00 35.03 H new ATOM 0 HB2 PHE A 106 5.929 -15.481 16.197 1.00 40.11 H new ATOM 0 HB3 PHE A 106 5.945 -17.234 16.182 1.00 40.11 H new ATOM 0 HD1 PHE A 106 3.710 -14.352 15.359 1.00 12.02 H new ATOM 0 HD2 PHE A 106 4.812 -18.375 14.494 1.00 14.22 H new ATOM 0 HE1 PHE A 106 2.195 -14.349 13.425 1.00 3.32 H new ATOM 0 HE2 PHE A 106 3.299 -18.373 12.559 1.00 62.33 H new ATOM 0 HZ PHE A 106 1.986 -16.361 12.022 1.00 33.40 H new ATOM 1633 N ASP A 107 4.488 -14.010 18.089 1.00 75.42 N ATOM 1634 CA ASP A 107 3.858 -12.711 18.291 1.00 11.32 C ATOM 1635 C ASP A 107 3.705 -11.969 16.967 1.00 51.11 C ATOM 1636 O ASP A 107 4.694 -11.586 16.341 1.00 12.43 O ATOM 1637 CB ASP A 107 4.679 -11.869 19.269 1.00 20.24 C ATOM 1638 CG ASP A 107 5.187 -12.680 20.446 1.00 51.24 C ATOM 1639 OD1 ASP A 107 4.368 -13.371 21.087 1.00 63.34 O ATOM 1640 OD2 ASP A 107 6.403 -12.622 20.726 1.00 53.12 O ATOM 0 H ASP A 107 5.501 -14.011 18.211 1.00 75.42 H new ATOM 0 HA ASP A 107 2.866 -12.878 18.710 1.00 11.32 H new ATOM 0 HB2 ASP A 107 5.526 -11.428 18.743 1.00 20.24 H new ATOM 0 HB3 ASP A 107 4.068 -11.045 19.636 1.00 20.24 H new ATOM 1645 N ILE A 108 2.460 -11.771 16.546 1.00 63.32 N ATOM 1646 CA ILE A 108 2.179 -11.076 15.296 1.00 14.32 C ATOM 1647 C ILE A 108 3.000 -9.796 15.182 1.00 63.21 C ATOM 1648 O ILE A 108 3.421 -9.412 14.091 1.00 54.45 O ATOM 1649 CB ILE A 108 0.684 -10.725 15.171 1.00 21.45 C ATOM 1650 CG1 ILE A 108 -0.126 -11.972 14.811 1.00 30.40 C ATOM 1651 CG2 ILE A 108 0.481 -9.636 14.130 1.00 53.44 C ATOM 1652 CD1 ILE A 108 -1.553 -11.931 15.310 1.00 13.03 C ATOM 0 H ILE A 108 1.631 -12.082 17.052 1.00 63.32 H new ATOM 0 HA ILE A 108 2.454 -11.755 14.489 1.00 14.32 H new ATOM 0 HB ILE A 108 0.332 -10.351 16.132 1.00 21.45 H new ATOM 0 HG12 ILE A 108 -0.132 -12.091 13.728 1.00 30.40 H new ATOM 0 HG13 ILE A 108 0.370 -12.850 15.225 1.00 30.40 H new ATOM 0 HG21 ILE A 108 -0.580 -9.399 14.053 1.00 53.44 H new ATOM 0 HG22 ILE A 108 1.032 -8.743 14.426 1.00 53.44 H new ATOM 0 HG23 ILE A 108 0.846 -9.984 13.164 1.00 53.44 H new ATOM 0 HD11 ILE A 108 -2.067 -12.847 15.018 1.00 13.03 H new ATOM 0 HD12 ILE A 108 -1.556 -11.843 16.396 1.00 13.03 H new ATOM 0 HD13 ILE A 108 -2.066 -11.073 14.875 1.00 13.03 H new ATOM 1664 N ASP A 109 3.227 -9.142 16.316 1.00 62.23 N ATOM 1665 CA ASP A 109 4.002 -7.907 16.344 1.00 13.10 C ATOM 1666 C ASP A 109 5.398 -8.128 15.772 1.00 25.11 C ATOM 1667 O ASP A 109 5.903 -7.306 15.008 1.00 62.53 O ATOM 1668 CB ASP A 109 4.101 -7.375 17.775 1.00 41.14 C ATOM 1669 CG ASP A 109 2.772 -6.865 18.296 1.00 3.52 C ATOM 1670 OD1 ASP A 109 1.999 -6.297 17.496 1.00 32.21 O ATOM 1671 OD2 ASP A 109 2.505 -7.033 19.504 1.00 23.22 O ATOM 0 H ASP A 109 2.885 -9.446 17.228 1.00 62.23 H new ATOM 0 HA ASP A 109 3.489 -7.171 15.725 1.00 13.10 H new ATOM 0 HB2 ASP A 109 4.465 -8.167 18.430 1.00 41.14 H new ATOM 0 HB3 ASP A 109 4.835 -6.570 17.810 1.00 41.14 H new ATOM 1676 N GLU A 110 6.017 -9.243 16.149 1.00 3.41 N ATOM 1677 CA GLU A 110 7.357 -9.570 15.675 1.00 53.24 C ATOM 1678 C GLU A 110 7.304 -10.193 14.282 1.00 13.45 C ATOM 1679 O GLU A 110 8.249 -10.076 13.503 1.00 75.53 O ATOM 1680 CB GLU A 110 8.047 -10.528 16.648 1.00 52.21 C ATOM 1681 CG GLU A 110 9.495 -10.166 16.934 1.00 34.21 C ATOM 1682 CD GLU A 110 10.472 -11.167 16.349 1.00 4.41 C ATOM 1683 OE1 GLU A 110 10.746 -12.187 17.016 1.00 44.24 O ATOM 1684 OE2 GLU A 110 10.964 -10.930 15.226 1.00 54.22 O ATOM 0 H GLU A 110 5.612 -9.934 16.781 1.00 3.41 H new ATOM 0 HA GLU A 110 7.931 -8.645 15.619 1.00 53.24 H new ATOM 0 HB2 GLU A 110 7.492 -10.541 17.586 1.00 52.21 H new ATOM 0 HB3 GLU A 110 8.007 -11.538 16.240 1.00 52.21 H new ATOM 0 HG2 GLU A 110 9.706 -9.177 16.527 1.00 34.21 H new ATOM 0 HG3 GLU A 110 9.644 -10.105 18.012 1.00 34.21 H new ATOM 1691 N ALA A 111 6.192 -10.854 13.979 1.00 71.33 N ATOM 1692 CA ALA A 111 6.014 -11.494 12.681 1.00 22.32 C ATOM 1693 C ALA A 111 5.884 -10.457 11.571 1.00 74.32 C ATOM 1694 O ALA A 111 6.615 -10.497 10.582 1.00 45.43 O ATOM 1695 CB ALA A 111 4.794 -12.403 12.704 1.00 50.04 C ATOM 0 H ALA A 111 5.401 -10.961 14.614 1.00 71.33 H new ATOM 0 HA ALA A 111 6.898 -12.097 12.476 1.00 22.32 H new ATOM 0 HB1 ALA A 111 4.673 -12.874 11.729 1.00 50.04 H new ATOM 0 HB2 ALA A 111 4.928 -13.172 13.465 1.00 50.04 H new ATOM 0 HB3 ALA A 111 3.906 -11.815 12.935 1.00 50.04 H new ATOM 1701 N VAL A 112 4.946 -9.530 11.740 1.00 23.15 N ATOM 1702 CA VAL A 112 4.720 -8.482 10.753 1.00 61.05 C ATOM 1703 C VAL A 112 6.023 -7.777 10.391 1.00 34.11 C ATOM 1704 O VAL A 112 6.234 -7.392 9.241 1.00 34.15 O ATOM 1705 CB VAL A 112 3.709 -7.438 11.263 1.00 32.40 C ATOM 1706 CG1 VAL A 112 3.771 -6.176 10.416 1.00 34.25 C ATOM 1707 CG2 VAL A 112 2.302 -8.018 11.269 1.00 64.24 C ATOM 0 H VAL A 112 4.330 -9.484 12.552 1.00 23.15 H new ATOM 0 HA VAL A 112 4.314 -8.967 9.865 1.00 61.05 H new ATOM 0 HB VAL A 112 3.972 -7.172 12.287 1.00 32.40 H new ATOM 0 HG11 VAL A 112 3.050 -5.450 10.791 1.00 34.25 H new ATOM 0 HG12 VAL A 112 4.774 -5.752 10.468 1.00 34.25 H new ATOM 0 HG13 VAL A 112 3.534 -6.421 9.381 1.00 34.25 H new ATOM 0 HG21 VAL A 112 1.600 -7.267 11.632 1.00 64.24 H new ATOM 0 HG22 VAL A 112 2.026 -8.313 10.257 1.00 64.24 H new ATOM 0 HG23 VAL A 112 2.271 -8.890 11.922 1.00 64.24 H new ATOM 1717 N ALA A 113 6.894 -7.612 11.381 1.00 51.31 N ATOM 1718 CA ALA A 113 8.178 -6.955 11.167 1.00 74.30 C ATOM 1719 C ALA A 113 9.218 -7.941 10.645 1.00 11.34 C ATOM 1720 O ALA A 113 10.177 -7.551 9.978 1.00 61.42 O ATOM 1721 CB ALA A 113 8.661 -6.308 12.456 1.00 12.13 C ATOM 0 H ALA A 113 6.734 -7.924 12.339 1.00 51.31 H new ATOM 0 HA ALA A 113 8.041 -6.179 10.414 1.00 74.30 H new ATOM 0 HB1 ALA A 113 9.621 -5.821 12.281 1.00 12.13 H new ATOM 0 HB2 ALA A 113 7.933 -5.567 12.786 1.00 12.13 H new ATOM 0 HB3 ALA A 113 8.776 -7.071 13.225 1.00 12.13 H new ATOM 1727 N LEU A 114 9.023 -9.218 10.954 1.00 1.12 N ATOM 1728 CA LEU A 114 9.945 -10.260 10.517 1.00 64.11 C ATOM 1729 C LEU A 114 9.957 -10.373 8.996 1.00 64.52 C ATOM 1730 O LEU A 114 10.978 -10.710 8.396 1.00 62.32 O ATOM 1731 CB LEU A 114 9.559 -11.604 11.137 1.00 54.02 C ATOM 1732 CG LEU A 114 10.341 -12.821 10.643 1.00 62.22 C ATOM 1733 CD1 LEU A 114 11.719 -12.866 11.284 1.00 24.02 C ATOM 1734 CD2 LEU A 114 9.574 -14.103 10.933 1.00 13.45 C ATOM 0 H LEU A 114 8.235 -9.557 11.506 1.00 1.12 H new ATOM 0 HA LEU A 114 10.946 -9.988 10.851 1.00 64.11 H new ATOM 0 HB2 LEU A 114 9.683 -11.532 12.218 1.00 54.02 H new ATOM 0 HB3 LEU A 114 8.499 -11.777 10.949 1.00 54.02 H new ATOM 0 HG LEU A 114 10.467 -12.733 9.564 1.00 62.22 H new ATOM 0 HD11 LEU A 114 12.261 -13.739 10.920 1.00 24.02 H new ATOM 0 HD12 LEU A 114 12.271 -11.962 11.025 1.00 24.02 H new ATOM 0 HD13 LEU A 114 11.615 -12.929 12.367 1.00 24.02 H new ATOM 0 HD21 LEU A 114 10.146 -14.958 10.574 1.00 13.45 H new ATOM 0 HD22 LEU A 114 9.416 -14.197 12.007 1.00 13.45 H new ATOM 0 HD23 LEU A 114 8.610 -14.073 10.425 1.00 13.45 H new ATOM 1746 N VAL A 115 8.816 -10.088 8.377 1.00 10.12 N ATOM 1747 CA VAL A 115 8.696 -10.154 6.926 1.00 74.43 C ATOM 1748 C VAL A 115 9.203 -8.874 6.273 1.00 40.50 C ATOM 1749 O VAL A 115 9.777 -8.905 5.185 1.00 75.42 O ATOM 1750 CB VAL A 115 7.237 -10.395 6.494 1.00 52.41 C ATOM 1751 CG1 VAL A 115 6.305 -9.414 7.189 1.00 4.45 C ATOM 1752 CG2 VAL A 115 7.105 -10.288 4.982 1.00 14.32 C ATOM 0 H VAL A 115 7.961 -9.809 8.858 1.00 10.12 H new ATOM 0 HA VAL A 115 9.308 -10.993 6.596 1.00 74.43 H new ATOM 0 HB VAL A 115 6.950 -11.404 6.791 1.00 52.41 H new ATOM 0 HG11 VAL A 115 5.279 -9.600 6.871 1.00 4.45 H new ATOM 0 HG12 VAL A 115 6.380 -9.544 8.269 1.00 4.45 H new ATOM 0 HG13 VAL A 115 6.588 -8.395 6.926 1.00 4.45 H new ATOM 0 HG21 VAL A 115 6.068 -10.461 4.694 1.00 14.32 H new ATOM 0 HG22 VAL A 115 7.410 -9.292 4.660 1.00 14.32 H new ATOM 0 HG23 VAL A 115 7.743 -11.034 4.507 1.00 14.32 H new ATOM 1762 N GLU A 116 8.988 -7.747 6.946 1.00 71.41 N ATOM 1763 CA GLU A 116 9.424 -6.455 6.430 1.00 13.02 C ATOM 1764 C GLU A 116 10.911 -6.479 6.089 1.00 11.20 C ATOM 1765 O GLU A 116 11.330 -5.955 5.057 1.00 61.55 O ATOM 1766 CB GLU A 116 9.141 -5.352 7.452 1.00 2.40 C ATOM 1767 CG GLU A 116 8.902 -3.988 6.825 1.00 31.42 C ATOM 1768 CD GLU A 116 8.786 -2.884 7.858 1.00 44.34 C ATOM 1769 OE1 GLU A 116 9.531 -2.929 8.859 1.00 11.34 O ATOM 1770 OE2 GLU A 116 7.952 -1.975 7.664 1.00 21.13 O ATOM 0 H GLU A 116 8.515 -7.703 7.849 1.00 71.41 H new ATOM 0 HA GLU A 116 8.864 -6.248 5.518 1.00 13.02 H new ATOM 0 HB2 GLU A 116 8.267 -5.630 8.041 1.00 2.40 H new ATOM 0 HB3 GLU A 116 9.982 -5.283 8.142 1.00 2.40 H new ATOM 0 HG2 GLU A 116 9.720 -3.758 6.143 1.00 31.42 H new ATOM 0 HG3 GLU A 116 7.990 -4.021 6.229 1.00 31.42 H new ATOM 1777 N ARG A 117 11.703 -7.089 6.964 1.00 20.14 N ATOM 1778 CA ARG A 117 13.143 -7.180 6.758 1.00 44.24 C ATOM 1779 C ARG A 117 13.467 -8.090 5.576 1.00 33.04 C ATOM 1780 O ARG A 117 14.565 -8.039 5.023 1.00 31.34 O ATOM 1781 CB ARG A 117 13.829 -7.703 8.021 1.00 45.21 C ATOM 1782 CG ARG A 117 13.670 -9.200 8.225 1.00 33.52 C ATOM 1783 CD ARG A 117 13.465 -9.544 9.692 1.00 3.14 C ATOM 1784 NE ARG A 117 14.722 -9.879 10.356 1.00 21.33 N ATOM 1785 CZ ARG A 117 14.818 -10.154 11.652 1.00 21.24 C ATOM 1786 NH1 ARG A 117 13.737 -10.134 12.420 1.00 50.14 N ATOM 1787 NH2 ARG A 117 15.997 -10.451 12.183 1.00 5.44 N ATOM 0 H ARG A 117 11.371 -7.528 7.823 1.00 20.14 H new ATOM 0 HA ARG A 117 13.517 -6.180 6.538 1.00 44.24 H new ATOM 0 HB2 ARG A 117 14.891 -7.462 7.974 1.00 45.21 H new ATOM 0 HB3 ARG A 117 13.422 -7.182 8.888 1.00 45.21 H new ATOM 0 HG2 ARG A 117 12.821 -9.559 7.644 1.00 33.52 H new ATOM 0 HG3 ARG A 117 14.554 -9.715 7.849 1.00 33.52 H new ATOM 0 HD2 ARG A 117 13.000 -8.700 10.201 1.00 3.14 H new ATOM 0 HD3 ARG A 117 12.776 -10.385 9.774 1.00 3.14 H new ATOM 0 HE ARG A 117 15.573 -9.903 9.794 1.00 21.33 H new ATOM 0 HH11 ARG A 117 12.828 -9.907 12.016 1.00 50.14 H new ATOM 0 HH12 ARG A 117 13.814 -10.346 13.415 1.00 50.14 H new ATOM 0 HH21 ARG A 117 16.831 -10.468 11.596 1.00 5.44 H new ATOM 0 HH22 ARG A 117 16.069 -10.662 13.178 1.00 5.44 H new ATOM 1801 N ALA A 118 12.503 -8.922 5.196 1.00 73.02 N ATOM 1802 CA ALA A 118 12.684 -9.842 4.080 1.00 62.10 C ATOM 1803 C ALA A 118 12.401 -9.154 2.749 1.00 2.41 C ATOM 1804 O ALA A 118 13.126 -9.349 1.773 1.00 54.44 O ATOM 1805 CB ALA A 118 11.787 -11.059 4.248 1.00 34.12 C ATOM 0 H ALA A 118 11.589 -8.978 5.645 1.00 73.02 H new ATOM 0 HA ALA A 118 13.724 -10.168 4.076 1.00 62.10 H new ATOM 0 HB1 ALA A 118 11.933 -11.737 3.407 1.00 34.12 H new ATOM 0 HB2 ALA A 118 12.040 -11.572 5.176 1.00 34.12 H new ATOM 0 HB3 ALA A 118 10.745 -10.741 4.281 1.00 34.12 H new ATOM 1811 N ILE A 119 11.344 -8.349 2.717 1.00 22.15 N ATOM 1812 CA ILE A 119 10.967 -7.632 1.506 1.00 52.10 C ATOM 1813 C ILE A 119 11.753 -6.332 1.369 1.00 35.22 C ATOM 1814 O ILE A 119 11.873 -5.780 0.276 1.00 53.42 O ATOM 1815 CB ILE A 119 9.460 -7.312 1.487 1.00 23.33 C ATOM 1816 CG1 ILE A 119 8.642 -8.598 1.624 1.00 62.02 C ATOM 1817 CG2 ILE A 119 9.091 -6.576 0.208 1.00 31.30 C ATOM 1818 CD1 ILE A 119 7.152 -8.358 1.728 1.00 24.03 C ATOM 0 H ILE A 119 10.734 -8.177 3.516 1.00 22.15 H new ATOM 0 HA ILE A 119 11.202 -8.286 0.666 1.00 52.10 H new ATOM 0 HB ILE A 119 9.230 -6.665 2.334 1.00 23.33 H new ATOM 0 HG12 ILE A 119 8.840 -9.238 0.764 1.00 62.02 H new ATOM 0 HG13 ILE A 119 8.977 -9.140 2.508 1.00 62.02 H new ATOM 0 HG21 ILE A 119 8.023 -6.357 0.209 1.00 31.30 H new ATOM 0 HG22 ILE A 119 9.653 -5.644 0.150 1.00 31.30 H new ATOM 0 HG23 ILE A 119 9.332 -7.199 -0.653 1.00 31.30 H new ATOM 0 HD11 ILE A 119 6.635 -9.313 1.823 1.00 24.03 H new ATOM 0 HD12 ILE A 119 6.943 -7.744 2.604 1.00 24.03 H new ATOM 0 HD13 ILE A 119 6.803 -7.844 0.833 1.00 24.03 H new ATOM 1830 N SER A 120 12.288 -5.850 2.486 1.00 35.14 N ATOM 1831 CA SER A 120 13.061 -4.614 2.492 1.00 11.11 C ATOM 1832 C SER A 120 14.532 -4.892 2.197 1.00 53.10 C ATOM 1833 O SER A 120 15.366 -3.987 2.235 1.00 63.22 O ATOM 1834 CB SER A 120 12.924 -3.908 3.843 1.00 65.43 C ATOM 1835 OG SER A 120 11.589 -3.489 4.066 1.00 25.15 O ATOM 0 H SER A 120 12.200 -6.297 3.399 1.00 35.14 H new ATOM 0 HA SER A 120 12.668 -3.965 1.710 1.00 11.11 H new ATOM 0 HB2 SER A 120 13.236 -4.581 4.642 1.00 65.43 H new ATOM 0 HB3 SER A 120 13.589 -3.045 3.875 1.00 65.43 H new ATOM 0 HG SER A 120 11.078 -4.224 4.465 1.00 25.15 H new ATOM 1841 N HIS A 121 14.842 -6.151 1.903 1.00 42.51 N ATOM 1842 CA HIS A 121 16.212 -6.549 1.600 1.00 22.34 C ATOM 1843 C HIS A 121 16.516 -6.366 0.117 1.00 64.04 C ATOM 1844 O HIS A 121 17.595 -5.902 -0.253 1.00 62.04 O ATOM 1845 CB HIS A 121 16.443 -8.006 2.004 1.00 13.10 C ATOM 1846 CG HIS A 121 17.889 -8.394 2.046 1.00 34.22 C ATOM 1847 ND1 HIS A 121 18.575 -8.861 0.945 1.00 32.42 N ATOM 1848 CD2 HIS A 121 18.779 -8.381 3.065 1.00 5.11 C ATOM 1849 CE1 HIS A 121 19.825 -9.120 1.285 1.00 33.35 C ATOM 1850 NE2 HIS A 121 19.975 -8.837 2.567 1.00 41.23 N ATOM 0 H HIS A 121 14.164 -6.912 1.868 1.00 42.51 H new ATOM 0 HA HIS A 121 16.885 -5.910 2.172 1.00 22.34 H new ATOM 0 HB2 HIS A 121 16.001 -8.177 2.986 1.00 13.10 H new ATOM 0 HB3 HIS A 121 15.921 -8.656 1.302 1.00 13.10 H new ATOM 0 HD2 HIS A 121 18.585 -8.070 4.081 1.00 5.11 H new ATOM 0 HE1 HIS A 121 20.593 -9.499 0.627 1.00 33.35 H new ATOM 0 HE2 HIS A 121 20.838 -8.940 3.100 1.00 41.23 H new ATOM 1858 N TYR A 122 15.560 -6.734 -0.728 1.00 55.22 N ATOM 1859 CA TYR A 122 15.726 -6.613 -2.172 1.00 4.14 C ATOM 1860 C TYR A 122 14.803 -5.539 -2.739 1.00 2.23 C ATOM 1861 O TYR A 122 14.455 -5.565 -3.919 1.00 33.43 O ATOM 1862 CB TYR A 122 15.446 -7.954 -2.853 1.00 0.44 C ATOM 1863 CG TYR A 122 13.973 -8.271 -2.982 1.00 43.31 C ATOM 1864 CD1 TYR A 122 13.217 -8.621 -1.870 1.00 64.03 C ATOM 1865 CD2 TYR A 122 13.338 -8.219 -4.217 1.00 14.24 C ATOM 1866 CE1 TYR A 122 11.872 -8.912 -1.984 1.00 72.24 C ATOM 1867 CE2 TYR A 122 11.992 -8.507 -4.340 1.00 1.12 C ATOM 1868 CZ TYR A 122 11.264 -8.854 -3.221 1.00 53.40 C ATOM 1869 OH TYR A 122 9.923 -9.142 -3.339 1.00 3.54 O ATOM 0 H TYR A 122 14.661 -7.119 -0.438 1.00 55.22 H new ATOM 0 HA TYR A 122 16.757 -6.321 -2.370 1.00 4.14 H new ATOM 0 HB2 TYR A 122 15.896 -7.949 -3.846 1.00 0.44 H new ATOM 0 HB3 TYR A 122 15.932 -8.748 -2.286 1.00 0.44 H new ATOM 0 HD1 TYR A 122 13.689 -8.666 -0.900 1.00 64.03 H new ATOM 0 HD2 TYR A 122 13.906 -7.949 -5.095 1.00 14.24 H new ATOM 0 HE1 TYR A 122 11.299 -9.184 -1.110 1.00 72.24 H new ATOM 0 HE2 TYR A 122 11.513 -8.461 -5.307 1.00 1.12 H new ATOM 0 HH TYR A 122 9.396 -8.358 -3.079 1.00 3.54 H new ATOM 1879 N GLN A 123 14.412 -4.595 -1.889 1.00 2.14 N ATOM 1880 CA GLN A 123 13.530 -3.511 -2.304 1.00 74.33 C ATOM 1881 C GLN A 123 13.778 -2.257 -1.473 1.00 21.34 C ATOM 1882 O GLN A 123 13.829 -1.149 -2.005 1.00 11.05 O ATOM 1883 CB GLN A 123 12.067 -3.940 -2.178 1.00 14.21 C ATOM 1884 CG GLN A 123 11.272 -3.779 -3.464 1.00 22.11 C ATOM 1885 CD GLN A 123 9.825 -3.404 -3.213 1.00 0.31 C ATOM 1886 OE1 GLN A 123 9.328 -2.410 -3.744 1.00 61.44 O ATOM 1887 NE2 GLN A 123 9.140 -4.198 -2.399 1.00 74.54 N ATOM 0 H GLN A 123 14.692 -4.559 -0.909 1.00 2.14 H new ATOM 0 HA GLN A 123 13.746 -3.280 -3.347 1.00 74.33 H new ATOM 0 HB2 GLN A 123 12.029 -4.984 -1.865 1.00 14.21 H new ATOM 0 HB3 GLN A 123 11.592 -3.354 -1.391 1.00 14.21 H new ATOM 0 HG2 GLN A 123 11.740 -3.013 -4.082 1.00 22.11 H new ATOM 0 HG3 GLN A 123 11.309 -4.711 -4.029 1.00 22.11 H new ATOM 0 HE21 GLN A 123 9.592 -5.011 -1.981 1.00 74.54 H new ATOM 0 HE22 GLN A 123 8.162 -3.995 -2.192 1.00 74.54 H new ATOM 1896 N GLU A 124 13.932 -2.441 -0.165 1.00 32.20 N ATOM 1897 CA GLU A 124 14.174 -1.323 0.740 1.00 72.53 C ATOM 1898 C GLU A 124 13.051 -0.294 0.645 1.00 22.12 C ATOM 1899 O GLU A 124 12.226 -0.176 1.550 1.00 22.45 O ATOM 1900 CB GLU A 124 15.516 -0.661 0.421 1.00 72.45 C ATOM 1901 CG GLU A 124 16.572 -0.880 1.491 1.00 62.14 C ATOM 1902 CD GLU A 124 17.804 -0.022 1.278 1.00 22.10 C ATOM 1903 OE1 GLU A 124 18.652 -0.397 0.441 1.00 13.31 O ATOM 1904 OE2 GLU A 124 17.920 1.025 1.949 1.00 23.23 O ATOM 0 H GLU A 124 13.894 -3.353 0.291 1.00 32.20 H new ATOM 0 HA GLU A 124 14.202 -1.712 1.758 1.00 72.53 H new ATOM 0 HB2 GLU A 124 15.886 -1.049 -0.528 1.00 72.45 H new ATOM 0 HB3 GLU A 124 15.361 0.410 0.289 1.00 72.45 H new ATOM 0 HG2 GLU A 124 16.144 -0.659 2.469 1.00 62.14 H new ATOM 0 HG3 GLU A 124 16.862 -1.931 1.500 1.00 62.14 H new TER 1911 GLU A 124