USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 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 79 LYS NZ :NH3+ -178:sc= 1.73 (180deg=1.68) USER MOD Set 1.2: A 89 HIS : no HE2:sc= 0.581 K(o=2.3,f=-3.8!) USER MOD Set 2.1: A 66 GLN : amide:sc= 1.08 K(o=2.3,f=-9.4!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= -1 K(o=-1,f=-3.9) USER MOD Set 3.2: A 45 GLN : amide:sc=-0.000226 K(o=-1,f=-8!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 2.61 (180deg=-1.87!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.476! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 116:sc= 1.24 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.5) USER MOD Single : A 9 SER OG : rot 124:sc= -1.13 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 16 THR OG1 : rot 93:sc= 0.995 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 48:sc= 0.941 USER MOD Single : A 46 SER OG : rot 74:sc= 0.641 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0222! USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= 0.647 (180deg=-1.86!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 98:sc= 0.912 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -91:sc= 0.813 USER MOD Single : A 84 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.442 -8.613 -20.419 1.00 1.31 N ATOM 2 CA GLY A 1 -5.283 -9.424 -21.353 1.00 1.62 C ATOM 3 C GLY A 1 -6.474 -10.013 -20.591 1.00 1.65 C ATOM 4 O GLY A 1 -7.582 -9.516 -20.677 1.00 1.74 O ATOM 0 H1 GLY A 1 -4.414 -7.626 -20.746 1.00 1.31 H new ATOM 0 H2 GLY A 1 -4.850 -8.650 -19.463 1.00 1.31 H new ATOM 0 H3 GLY A 1 -3.476 -8.998 -20.398 1.00 1.31 H new ATOM 0 HA2 GLY A 1 -5.636 -8.801 -22.175 1.00 1.62 H new ATOM 0 HA3 GLY A 1 -4.688 -10.224 -21.793 1.00 1.62 H new ATOM 10 N SER A 2 -6.252 -11.058 -19.833 1.00 1.66 N ATOM 11 CA SER A 2 -7.361 -11.677 -19.047 1.00 1.83 C ATOM 12 C SER A 2 -6.798 -12.550 -17.921 1.00 1.75 C ATOM 13 O SER A 2 -6.714 -12.132 -16.782 1.00 1.65 O ATOM 14 CB SER A 2 -8.156 -12.522 -20.052 1.00 2.25 C ATOM 15 OG SER A 2 -7.318 -13.552 -20.575 1.00 2.91 O ATOM 0 H SER A 2 -5.344 -11.511 -19.725 1.00 1.66 H new ATOM 0 HA SER A 2 -7.991 -10.925 -18.572 1.00 1.83 H new ATOM 0 HB2 SER A 2 -9.028 -12.960 -19.566 1.00 2.25 H new ATOM 0 HB3 SER A 2 -8.525 -11.892 -20.862 1.00 2.25 H new ATOM 0 HG SER A 2 -7.826 -14.093 -21.215 1.00 2.91 H new ATOM 21 N MET A 3 -6.423 -13.757 -18.233 1.00 1.87 N ATOM 22 CA MET A 3 -5.874 -14.676 -17.190 1.00 1.82 C ATOM 23 C MET A 3 -4.551 -15.301 -17.664 1.00 1.78 C ATOM 24 O MET A 3 -4.489 -16.466 -18.013 1.00 2.00 O ATOM 25 CB MET A 3 -6.954 -15.750 -17.003 1.00 2.11 C ATOM 26 CG MET A 3 -8.264 -15.088 -16.569 1.00 2.24 C ATOM 27 SD MET A 3 -9.428 -16.358 -16.021 1.00 2.80 S ATOM 28 CE MET A 3 -10.348 -15.329 -14.857 1.00 3.37 C ATOM 0 H MET A 3 -6.472 -14.153 -19.172 1.00 1.87 H new ATOM 0 HA MET A 3 -5.651 -14.158 -16.257 1.00 1.82 H new ATOM 0 HB2 MET A 3 -7.102 -16.298 -17.934 1.00 2.11 H new ATOM 0 HB3 MET A 3 -6.635 -16.475 -16.254 1.00 2.11 H new ATOM 0 HG2 MET A 3 -8.076 -14.379 -15.762 1.00 2.24 H new ATOM 0 HG3 MET A 3 -8.690 -14.522 -17.398 1.00 2.24 H new ATOM 0 HE1 MET A 3 -11.135 -15.922 -14.391 1.00 3.37 H new ATOM 0 HE2 MET A 3 -9.672 -14.955 -14.088 1.00 3.37 H new ATOM 0 HE3 MET A 3 -10.794 -14.488 -15.388 1.00 3.37 H new ATOM 38 N SER A 4 -3.494 -14.529 -17.677 1.00 1.60 N ATOM 39 CA SER A 4 -2.169 -15.071 -18.124 1.00 1.64 C ATOM 40 C SER A 4 -1.124 -14.934 -17.004 1.00 1.45 C ATOM 41 O SER A 4 0.057 -14.803 -17.266 1.00 1.56 O ATOM 42 CB SER A 4 -1.766 -14.227 -19.337 1.00 1.79 C ATOM 43 OG SER A 4 -2.864 -14.129 -20.238 1.00 2.20 O ATOM 0 H SER A 4 -3.488 -13.548 -17.398 1.00 1.60 H new ATOM 0 HA SER A 4 -2.232 -16.131 -18.372 1.00 1.64 H new ATOM 0 HB2 SER A 4 -1.458 -13.233 -19.014 1.00 1.79 H new ATOM 0 HB3 SER A 4 -0.910 -14.679 -19.839 1.00 1.79 H new ATOM 0 HG SER A 4 -3.157 -13.196 -20.296 1.00 2.20 H new ATOM 49 N ILE A 5 -1.544 -14.966 -15.762 1.00 1.28 N ATOM 50 CA ILE A 5 -0.573 -14.840 -14.637 1.00 1.19 C ATOM 51 C ILE A 5 -0.206 -16.240 -14.091 1.00 1.13 C ATOM 52 O ILE A 5 0.242 -17.091 -14.835 1.00 1.24 O ATOM 53 CB ILE A 5 -1.280 -13.962 -13.588 1.00 1.13 C ATOM 54 CG1 ILE A 5 -2.613 -14.610 -13.136 1.00 1.11 C ATOM 55 CG2 ILE A 5 -1.525 -12.567 -14.173 1.00 1.26 C ATOM 56 CD1 ILE A 5 -3.830 -13.795 -13.602 1.00 1.29 C ATOM 0 H ILE A 5 -2.519 -15.074 -15.482 1.00 1.28 H new ATOM 0 HA ILE A 5 0.371 -14.387 -14.940 1.00 1.19 H new ATOM 0 HB ILE A 5 -0.641 -13.873 -12.709 1.00 1.13 H new ATOM 0 HG12 ILE A 5 -2.679 -15.622 -13.535 1.00 1.11 H new ATOM 0 HG13 ILE A 5 -2.626 -14.694 -12.049 1.00 1.11 H new ATOM 0 HG21 ILE A 5 -2.025 -11.944 -13.432 1.00 1.26 H new ATOM 0 HG22 ILE A 5 -0.572 -12.113 -14.444 1.00 1.26 H new ATOM 0 HG23 ILE A 5 -2.152 -12.650 -15.060 1.00 1.26 H new ATOM 0 HD11 ILE A 5 -4.745 -14.282 -13.265 1.00 1.29 H new ATOM 0 HD12 ILE A 5 -3.778 -12.791 -13.182 1.00 1.29 H new ATOM 0 HD13 ILE A 5 -3.831 -13.733 -14.690 1.00 1.29 H new ATOM 68 N MET A 6 -0.380 -16.500 -12.814 1.00 1.07 N ATOM 69 CA MET A 6 -0.028 -17.856 -12.276 1.00 1.11 C ATOM 70 C MET A 6 -1.282 -18.747 -12.195 1.00 1.02 C ATOM 71 O MET A 6 -1.453 -19.510 -11.259 1.00 1.11 O ATOM 72 CB MET A 6 0.559 -17.590 -10.880 1.00 1.23 C ATOM 73 CG MET A 6 2.004 -17.095 -11.016 1.00 1.58 C ATOM 74 SD MET A 6 3.126 -18.515 -11.066 1.00 2.23 S ATOM 75 CE MET A 6 4.283 -17.853 -12.289 1.00 2.71 C ATOM 0 H MET A 6 -0.746 -15.840 -12.128 1.00 1.07 H new ATOM 0 HA MET A 6 0.680 -18.385 -12.915 1.00 1.11 H new ATOM 0 HB2 MET A 6 -0.043 -16.847 -10.357 1.00 1.23 H new ATOM 0 HB3 MET A 6 0.531 -18.501 -10.283 1.00 1.23 H new ATOM 0 HG2 MET A 6 2.112 -16.500 -11.923 1.00 1.58 H new ATOM 0 HG3 MET A 6 2.258 -16.447 -10.178 1.00 1.58 H new ATOM 0 HE1 MET A 6 5.073 -18.581 -12.474 1.00 2.71 H new ATOM 0 HE2 MET A 6 3.752 -17.649 -13.219 1.00 2.71 H new ATOM 0 HE3 MET A 6 4.722 -16.929 -11.912 1.00 2.71 H new ATOM 85 N ASP A 7 -2.153 -18.657 -13.177 1.00 0.99 N ATOM 86 CA ASP A 7 -3.403 -19.492 -13.182 1.00 1.05 C ATOM 87 C ASP A 7 -3.061 -20.995 -13.190 1.00 1.12 C ATOM 88 O ASP A 7 -3.798 -21.809 -12.668 1.00 1.26 O ATOM 89 CB ASP A 7 -4.147 -19.099 -14.471 1.00 1.15 C ATOM 90 CG ASP A 7 -4.290 -17.576 -14.562 1.00 1.25 C ATOM 91 OD1 ASP A 7 -3.403 -16.956 -15.121 1.00 1.33 O ATOM 92 OD2 ASP A 7 -5.280 -17.058 -14.075 1.00 1.43 O ATOM 0 H ASP A 7 -2.051 -18.037 -13.980 1.00 0.99 H new ATOM 0 HA ASP A 7 -4.008 -19.318 -12.292 1.00 1.05 H new ATOM 0 HB2 ASP A 7 -3.605 -19.472 -15.340 1.00 1.15 H new ATOM 0 HB3 ASP A 7 -5.132 -19.565 -14.486 1.00 1.15 H new ATOM 97 N HIS A 8 -1.948 -21.367 -13.776 1.00 1.18 N ATOM 98 CA HIS A 8 -1.561 -22.815 -13.811 1.00 1.37 C ATOM 99 C HIS A 8 -0.473 -23.108 -12.765 1.00 1.36 C ATOM 100 O HIS A 8 0.401 -23.928 -12.977 1.00 1.64 O ATOM 101 CB HIS A 8 -1.030 -23.046 -15.232 1.00 1.70 C ATOM 102 CG HIS A 8 -2.064 -23.758 -16.061 1.00 2.17 C ATOM 103 ND1 HIS A 8 -3.413 -23.768 -15.734 1.00 2.89 N ATOM 104 CD2 HIS A 8 -1.957 -24.498 -17.214 1.00 2.59 C ATOM 105 CE1 HIS A 8 -4.055 -24.493 -16.670 1.00 3.28 C ATOM 106 NE2 HIS A 8 -3.216 -24.959 -17.595 1.00 3.11 N ATOM 0 H HIS A 8 -1.291 -20.733 -14.231 1.00 1.18 H new ATOM 0 HA HIS A 8 -2.398 -23.472 -13.577 1.00 1.37 H new ATOM 0 HB2 HIS A 8 -0.777 -22.092 -15.694 1.00 1.70 H new ATOM 0 HB3 HIS A 8 -0.114 -23.635 -15.195 1.00 1.70 H new ATOM 0 HD2 HIS A 8 -1.037 -24.693 -17.745 1.00 2.59 H new ATOM 0 HE1 HIS A 8 -5.120 -24.675 -16.671 1.00 3.28 H new ATOM 0 HE2 HIS A 8 -3.446 -25.531 -18.408 1.00 3.11 H new ATOM 114 N SER A 9 -0.524 -22.449 -11.634 1.00 1.25 N ATOM 115 CA SER A 9 0.499 -22.693 -10.577 1.00 1.44 C ATOM 116 C SER A 9 -0.016 -23.722 -9.563 1.00 1.58 C ATOM 117 O SER A 9 -1.184 -23.723 -9.221 1.00 1.58 O ATOM 118 CB SER A 9 0.714 -21.338 -9.899 1.00 1.47 C ATOM 119 OG SER A 9 1.971 -21.348 -9.228 1.00 1.73 O ATOM 0 H SER A 9 -1.231 -21.753 -11.399 1.00 1.25 H new ATOM 0 HA SER A 9 1.425 -23.090 -10.992 1.00 1.44 H new ATOM 0 HB2 SER A 9 0.689 -20.539 -10.640 1.00 1.47 H new ATOM 0 HB3 SER A 9 -0.090 -21.140 -9.190 1.00 1.47 H new ATOM 0 HG SER A 9 2.523 -20.608 -9.556 1.00 1.73 H new ATOM 125 N PRO A 10 0.877 -24.571 -9.106 1.00 1.82 N ATOM 126 CA PRO A 10 0.498 -25.612 -8.113 1.00 2.09 C ATOM 127 C PRO A 10 0.207 -24.974 -6.748 1.00 2.16 C ATOM 128 O PRO A 10 0.458 -23.802 -6.534 1.00 2.03 O ATOM 129 CB PRO A 10 1.733 -26.513 -8.049 1.00 2.37 C ATOM 130 CG PRO A 10 2.868 -25.642 -8.486 1.00 2.32 C ATOM 131 CD PRO A 10 2.302 -24.640 -9.461 1.00 1.99 C ATOM 0 HA PRO A 10 -0.405 -26.157 -8.386 1.00 2.09 H new ATOM 0 HB2 PRO A 10 1.893 -26.893 -7.040 1.00 2.37 H new ATOM 0 HB3 PRO A 10 1.625 -27.379 -8.703 1.00 2.37 H new ATOM 0 HG2 PRO A 10 3.318 -25.137 -7.631 1.00 2.32 H new ATOM 0 HG3 PRO A 10 3.652 -26.236 -8.955 1.00 2.32 H new ATOM 0 HD2 PRO A 10 2.786 -23.668 -9.362 1.00 1.99 H new ATOM 0 HD3 PRO A 10 2.442 -24.963 -10.493 1.00 1.99 H new ATOM 139 N THR A 11 -0.315 -25.738 -5.818 1.00 2.41 N ATOM 140 CA THR A 11 -0.618 -25.170 -4.461 1.00 2.54 C ATOM 141 C THR A 11 0.626 -24.473 -3.890 1.00 2.57 C ATOM 142 O THR A 11 0.534 -23.416 -3.297 1.00 2.50 O ATOM 143 CB THR A 11 -1.043 -26.360 -3.586 1.00 2.89 C ATOM 144 OG1 THR A 11 -1.342 -25.890 -2.281 1.00 3.05 O ATOM 145 CG2 THR A 11 0.079 -27.399 -3.498 1.00 3.12 C ATOM 0 H THR A 11 -0.544 -26.725 -5.936 1.00 2.41 H new ATOM 0 HA THR A 11 -1.408 -24.420 -4.501 1.00 2.54 H new ATOM 0 HB THR A 11 -1.919 -26.829 -4.034 1.00 2.89 H new ATOM 0 HG1 THR A 11 -1.616 -26.643 -1.717 1.00 3.05 H new ATOM 0 HG21 THR A 11 -0.245 -28.232 -2.874 1.00 3.12 H new ATOM 0 HG22 THR A 11 0.315 -27.765 -4.497 1.00 3.12 H new ATOM 0 HG23 THR A 11 0.966 -26.941 -3.060 1.00 3.12 H new ATOM 153 N THR A 12 1.792 -25.035 -4.103 1.00 2.71 N ATOM 154 CA THR A 12 3.047 -24.388 -3.607 1.00 2.82 C ATOM 155 C THR A 12 3.263 -23.067 -4.345 1.00 2.54 C ATOM 156 O THR A 12 3.617 -22.059 -3.758 1.00 2.53 O ATOM 157 CB THR A 12 4.170 -25.378 -3.935 1.00 3.06 C ATOM 158 OG1 THR A 12 3.892 -26.021 -5.173 1.00 2.99 O ATOM 159 CG2 THR A 12 4.269 -26.428 -2.830 1.00 3.43 C ATOM 0 H THR A 12 1.928 -25.915 -4.600 1.00 2.71 H new ATOM 0 HA THR A 12 3.010 -24.166 -2.540 1.00 2.82 H new ATOM 0 HB THR A 12 5.114 -24.838 -4.008 1.00 3.06 H new ATOM 0 HG1 THR A 12 4.612 -26.652 -5.382 1.00 2.99 H new ATOM 0 HG21 THR A 12 5.068 -27.130 -3.066 1.00 3.43 H new ATOM 0 HG22 THR A 12 4.485 -25.938 -1.881 1.00 3.43 H new ATOM 0 HG23 THR A 12 3.324 -26.966 -2.754 1.00 3.43 H new ATOM 167 N GLY A 13 3.029 -23.067 -5.628 1.00 2.34 N ATOM 168 CA GLY A 13 3.190 -21.818 -6.432 1.00 2.10 C ATOM 169 C GLY A 13 2.079 -20.840 -6.064 1.00 1.86 C ATOM 170 O GLY A 13 2.338 -19.697 -5.737 1.00 1.80 O ATOM 0 H GLY A 13 2.731 -23.884 -6.160 1.00 2.34 H new ATOM 0 HA2 GLY A 13 4.165 -21.370 -6.239 1.00 2.10 H new ATOM 0 HA3 GLY A 13 3.150 -22.049 -7.497 1.00 2.10 H new ATOM 174 N VAL A 14 0.845 -21.288 -6.089 1.00 1.77 N ATOM 175 CA VAL A 14 -0.292 -20.390 -5.712 1.00 1.60 C ATOM 176 C VAL A 14 -0.028 -19.791 -4.325 1.00 1.73 C ATOM 177 O VAL A 14 -0.241 -18.616 -4.096 1.00 1.58 O ATOM 178 CB VAL A 14 -1.534 -21.292 -5.702 1.00 1.70 C ATOM 179 CG1 VAL A 14 -2.647 -20.650 -4.866 1.00 1.85 C ATOM 180 CG2 VAL A 14 -2.038 -21.484 -7.136 1.00 1.68 C ATOM 0 H VAL A 14 0.577 -22.236 -6.354 1.00 1.77 H new ATOM 0 HA VAL A 14 -0.420 -19.556 -6.402 1.00 1.60 H new ATOM 0 HB VAL A 14 -1.265 -22.255 -5.268 1.00 1.70 H new ATOM 0 HG11 VAL A 14 -3.523 -21.299 -4.866 1.00 1.85 H new ATOM 0 HG12 VAL A 14 -2.299 -20.511 -3.842 1.00 1.85 H new ATOM 0 HG13 VAL A 14 -2.912 -19.683 -5.294 1.00 1.85 H new ATOM 0 HG21 VAL A 14 -2.920 -22.125 -7.129 1.00 1.68 H new ATOM 0 HG22 VAL A 14 -2.296 -20.515 -7.564 1.00 1.68 H new ATOM 0 HG23 VAL A 14 -1.257 -21.949 -7.737 1.00 1.68 H new ATOM 190 N VAL A 15 0.467 -20.585 -3.406 1.00 2.02 N ATOM 191 CA VAL A 15 0.773 -20.048 -2.043 1.00 2.17 C ATOM 192 C VAL A 15 1.977 -19.105 -2.130 1.00 2.13 C ATOM 193 O VAL A 15 1.995 -18.043 -1.535 1.00 2.07 O ATOM 194 CB VAL A 15 1.087 -21.276 -1.178 1.00 2.51 C ATOM 195 CG1 VAL A 15 1.782 -20.840 0.114 1.00 2.71 C ATOM 196 CG2 VAL A 15 -0.217 -21.997 -0.825 1.00 2.63 C ATOM 0 H VAL A 15 0.671 -21.575 -3.540 1.00 2.02 H new ATOM 0 HA VAL A 15 -0.053 -19.477 -1.619 1.00 2.17 H new ATOM 0 HB VAL A 15 1.743 -21.945 -1.735 1.00 2.51 H new ATOM 0 HG11 VAL A 15 2.002 -21.717 0.723 1.00 2.71 H new ATOM 0 HG12 VAL A 15 2.711 -20.325 -0.129 1.00 2.71 H new ATOM 0 HG13 VAL A 15 1.129 -20.167 0.669 1.00 2.71 H new ATOM 0 HG21 VAL A 15 0.005 -22.870 -0.211 1.00 2.63 H new ATOM 0 HG22 VAL A 15 -0.869 -21.320 -0.273 1.00 2.63 H new ATOM 0 HG23 VAL A 15 -0.716 -22.315 -1.740 1.00 2.63 H new ATOM 206 N THR A 16 2.971 -19.484 -2.888 1.00 2.21 N ATOM 207 CA THR A 16 4.182 -18.615 -3.047 1.00 2.28 C ATOM 208 C THR A 16 3.776 -17.254 -3.610 1.00 2.00 C ATOM 209 O THR A 16 4.115 -16.220 -3.063 1.00 2.02 O ATOM 210 CB THR A 16 5.099 -19.355 -4.029 1.00 2.42 C ATOM 211 OG1 THR A 16 5.495 -20.595 -3.462 1.00 2.70 O ATOM 212 CG2 THR A 16 6.346 -18.516 -4.310 1.00 2.56 C ATOM 0 H THR A 16 3.000 -20.361 -3.408 1.00 2.21 H new ATOM 0 HA THR A 16 4.683 -18.435 -2.096 1.00 2.28 H new ATOM 0 HB THR A 16 4.559 -19.527 -4.960 1.00 2.42 H new ATOM 0 HG1 THR A 16 4.880 -21.300 -3.754 1.00 2.70 H new ATOM 0 HG21 THR A 16 6.993 -19.048 -5.008 1.00 2.56 H new ATOM 0 HG22 THR A 16 6.051 -17.561 -4.744 1.00 2.56 H new ATOM 0 HG23 THR A 16 6.884 -18.341 -3.378 1.00 2.56 H new ATOM 220 N VAL A 17 3.043 -17.245 -4.690 1.00 1.76 N ATOM 221 CA VAL A 17 2.604 -15.948 -5.280 1.00 1.54 C ATOM 222 C VAL A 17 1.652 -15.230 -4.314 1.00 1.38 C ATOM 223 O VAL A 17 1.704 -14.027 -4.188 1.00 1.32 O ATOM 224 CB VAL A 17 1.918 -16.287 -6.614 1.00 1.37 C ATOM 225 CG1 VAL A 17 2.888 -17.054 -7.518 1.00 1.56 C ATOM 226 CG2 VAL A 17 0.670 -17.141 -6.382 1.00 1.26 C ATOM 0 H VAL A 17 2.730 -18.078 -5.189 1.00 1.76 H new ATOM 0 HA VAL A 17 3.442 -15.272 -5.451 1.00 1.54 H new ATOM 0 HB VAL A 17 1.624 -15.352 -7.092 1.00 1.37 H new ATOM 0 HG11 VAL A 17 2.396 -17.291 -8.461 1.00 1.56 H new ATOM 0 HG12 VAL A 17 3.767 -16.440 -7.712 1.00 1.56 H new ATOM 0 HG13 VAL A 17 3.192 -17.977 -7.025 1.00 1.56 H new ATOM 0 HG21 VAL A 17 0.202 -17.368 -7.340 1.00 1.26 H new ATOM 0 HG22 VAL A 17 0.952 -18.070 -5.886 1.00 1.26 H new ATOM 0 HG23 VAL A 17 -0.034 -16.594 -5.755 1.00 1.26 H new ATOM 236 N ILE A 18 0.808 -15.953 -3.607 1.00 1.40 N ATOM 237 CA ILE A 18 -0.111 -15.281 -2.627 1.00 1.32 C ATOM 238 C ILE A 18 0.714 -14.683 -1.490 1.00 1.47 C ATOM 239 O ILE A 18 0.463 -13.584 -1.054 1.00 1.36 O ATOM 240 CB ILE A 18 -1.065 -16.375 -2.125 1.00 1.48 C ATOM 241 CG1 ILE A 18 -2.178 -16.589 -3.156 1.00 1.38 C ATOM 242 CG2 ILE A 18 -1.696 -15.953 -0.793 1.00 1.63 C ATOM 243 CD1 ILE A 18 -3.015 -17.808 -2.763 1.00 1.65 C ATOM 0 H ILE A 18 0.717 -16.967 -3.665 1.00 1.40 H new ATOM 0 HA ILE A 18 -0.677 -14.463 -3.073 1.00 1.32 H new ATOM 0 HB ILE A 18 -0.503 -17.298 -1.983 1.00 1.48 H new ATOM 0 HG12 ILE A 18 -2.811 -15.703 -3.212 1.00 1.38 H new ATOM 0 HG13 ILE A 18 -1.747 -16.735 -4.146 1.00 1.38 H new ATOM 0 HG21 ILE A 18 -2.371 -16.736 -0.446 1.00 1.63 H new ATOM 0 HG22 ILE A 18 -0.912 -15.795 -0.053 1.00 1.63 H new ATOM 0 HG23 ILE A 18 -2.255 -15.028 -0.932 1.00 1.63 H new ATOM 0 HD11 ILE A 18 -3.806 -17.958 -3.498 1.00 1.65 H new ATOM 0 HD12 ILE A 18 -2.378 -18.692 -2.730 1.00 1.65 H new ATOM 0 HD13 ILE A 18 -3.458 -17.644 -1.781 1.00 1.65 H new ATOM 255 N VAL A 19 1.719 -15.373 -1.033 1.00 1.74 N ATOM 256 CA VAL A 19 2.575 -14.797 0.048 1.00 1.93 C ATOM 257 C VAL A 19 3.289 -13.557 -0.506 1.00 1.85 C ATOM 258 O VAL A 19 3.342 -12.522 0.134 1.00 1.82 O ATOM 259 CB VAL A 19 3.572 -15.901 0.427 1.00 2.25 C ATOM 260 CG1 VAL A 19 4.716 -15.308 1.257 1.00 2.49 C ATOM 261 CG2 VAL A 19 2.859 -16.972 1.255 1.00 2.40 C ATOM 0 H VAL A 19 1.986 -16.303 -1.355 1.00 1.74 H new ATOM 0 HA VAL A 19 2.007 -14.486 0.925 1.00 1.93 H new ATOM 0 HB VAL A 19 3.974 -16.344 -0.484 1.00 2.25 H new ATOM 0 HG11 VAL A 19 5.420 -16.097 1.523 1.00 2.49 H new ATOM 0 HG12 VAL A 19 5.230 -14.544 0.674 1.00 2.49 H new ATOM 0 HG13 VAL A 19 4.313 -14.861 2.166 1.00 2.49 H new ATOM 0 HG21 VAL A 19 3.567 -17.756 1.524 1.00 2.40 H new ATOM 0 HG22 VAL A 19 2.455 -16.522 2.162 1.00 2.40 H new ATOM 0 HG23 VAL A 19 2.046 -17.403 0.670 1.00 2.40 H new ATOM 271 N ILE A 20 3.803 -13.645 -1.711 1.00 1.86 N ATOM 272 CA ILE A 20 4.477 -12.458 -2.328 1.00 1.88 C ATOM 273 C ILE A 20 3.446 -11.344 -2.515 1.00 1.62 C ATOM 274 O ILE A 20 3.675 -10.205 -2.157 1.00 1.66 O ATOM 275 CB ILE A 20 5.014 -12.950 -3.681 1.00 1.97 C ATOM 276 CG1 ILE A 20 6.161 -13.935 -3.445 1.00 2.28 C ATOM 277 CG2 ILE A 20 5.535 -11.763 -4.498 1.00 2.06 C ATOM 278 CD1 ILE A 20 6.488 -14.667 -4.750 1.00 2.38 C ATOM 0 H ILE A 20 3.785 -14.484 -2.291 1.00 1.86 H new ATOM 0 HA ILE A 20 5.283 -12.058 -1.713 1.00 1.88 H new ATOM 0 HB ILE A 20 4.208 -13.441 -4.227 1.00 1.97 H new ATOM 0 HG12 ILE A 20 7.042 -13.403 -3.084 1.00 2.28 H new ATOM 0 HG13 ILE A 20 5.884 -14.653 -2.673 1.00 2.28 H new ATOM 0 HG21 ILE A 20 5.914 -12.119 -5.456 1.00 2.06 H new ATOM 0 HG22 ILE A 20 4.724 -11.055 -4.669 1.00 2.06 H new ATOM 0 HG23 ILE A 20 6.338 -11.269 -3.951 1.00 2.06 H new ATOM 0 HD11 ILE A 20 7.305 -15.368 -4.579 1.00 2.38 H new ATOM 0 HD12 ILE A 20 5.608 -15.212 -5.092 1.00 2.38 H new ATOM 0 HD13 ILE A 20 6.784 -13.943 -5.509 1.00 2.38 H new ATOM 290 N LEU A 21 2.302 -11.683 -3.046 1.00 1.38 N ATOM 291 CA LEU A 21 1.222 -10.668 -3.235 1.00 1.15 C ATOM 292 C LEU A 21 0.852 -10.084 -1.868 1.00 1.10 C ATOM 293 O LEU A 21 0.813 -8.881 -1.693 1.00 1.08 O ATOM 294 CB LEU A 21 0.039 -11.429 -3.843 1.00 0.97 C ATOM 295 CG LEU A 21 0.296 -11.684 -5.329 1.00 0.98 C ATOM 296 CD1 LEU A 21 -0.745 -12.672 -5.854 1.00 0.96 C ATOM 297 CD2 LEU A 21 0.180 -10.369 -6.103 1.00 1.09 C ATOM 0 H LEU A 21 2.067 -12.625 -3.359 1.00 1.38 H new ATOM 0 HA LEU A 21 1.524 -9.843 -3.881 1.00 1.15 H new ATOM 0 HB2 LEU A 21 -0.103 -12.375 -3.321 1.00 0.97 H new ATOM 0 HB3 LEU A 21 -0.879 -10.854 -3.717 1.00 0.97 H new ATOM 0 HG LEU A 21 1.297 -12.095 -5.461 1.00 0.98 H new ATOM 0 HD11 LEU A 21 -0.568 -12.859 -6.913 1.00 0.96 H new ATOM 0 HD12 LEU A 21 -0.668 -13.609 -5.303 1.00 0.96 H new ATOM 0 HD13 LEU A 21 -1.743 -12.254 -5.721 1.00 0.96 H new ATOM 0 HD21 LEU A 21 0.363 -10.553 -7.162 1.00 1.09 H new ATOM 0 HD22 LEU A 21 -0.821 -9.958 -5.974 1.00 1.09 H new ATOM 0 HD23 LEU A 21 0.915 -9.658 -5.725 1.00 1.09 H new ATOM 309 N ILE A 22 0.615 -10.931 -0.888 1.00 1.16 N ATOM 310 CA ILE A 22 0.286 -10.422 0.482 1.00 1.18 C ATOM 311 C ILE A 22 1.409 -9.495 0.964 1.00 1.31 C ATOM 312 O ILE A 22 1.160 -8.443 1.520 1.00 1.25 O ATOM 313 CB ILE A 22 0.174 -11.672 1.373 1.00 1.41 C ATOM 314 CG1 ILE A 22 -1.186 -12.337 1.145 1.00 1.39 C ATOM 315 CG2 ILE A 22 0.295 -11.284 2.852 1.00 1.58 C ATOM 316 CD1 ILE A 22 -1.209 -13.706 1.832 1.00 1.68 C ATOM 0 H ILE A 22 0.636 -11.947 -0.980 1.00 1.16 H new ATOM 0 HA ILE A 22 -0.639 -9.846 0.504 1.00 1.18 H new ATOM 0 HB ILE A 22 0.978 -12.361 1.115 1.00 1.41 H new ATOM 0 HG12 ILE A 22 -1.982 -11.706 1.541 1.00 1.39 H new ATOM 0 HG13 ILE A 22 -1.372 -12.451 0.077 1.00 1.39 H new ATOM 0 HG21 ILE A 22 0.214 -12.178 3.470 1.00 1.58 H new ATOM 0 HG22 ILE A 22 1.260 -10.809 3.026 1.00 1.58 H new ATOM 0 HG23 ILE A 22 -0.503 -10.589 3.112 1.00 1.58 H new ATOM 0 HD11 ILE A 22 -2.178 -14.179 1.669 1.00 1.68 H new ATOM 0 HD12 ILE A 22 -0.423 -14.336 1.415 1.00 1.68 H new ATOM 0 HD13 ILE A 22 -1.043 -13.579 2.902 1.00 1.68 H new ATOM 328 N ALA A 23 2.641 -9.871 0.734 1.00 1.54 N ATOM 329 CA ALA A 23 3.784 -9.002 1.157 1.00 1.74 C ATOM 330 C ALA A 23 3.759 -7.691 0.359 1.00 1.66 C ATOM 331 O ALA A 23 3.888 -6.616 0.916 1.00 1.69 O ATOM 332 CB ALA A 23 5.045 -9.813 0.847 1.00 2.06 C ATOM 0 H ALA A 23 2.906 -10.741 0.272 1.00 1.54 H new ATOM 0 HA ALA A 23 3.738 -8.733 2.212 1.00 1.74 H new ATOM 0 HB1 ALA A 23 5.926 -9.238 1.131 1.00 2.06 H new ATOM 0 HB2 ALA A 23 5.024 -10.747 1.409 1.00 2.06 H new ATOM 0 HB3 ALA A 23 5.084 -10.032 -0.220 1.00 2.06 H new ATOM 338 N ILE A 24 3.562 -7.773 -0.937 1.00 1.61 N ATOM 339 CA ILE A 24 3.490 -6.529 -1.768 1.00 1.65 C ATOM 340 C ILE A 24 2.326 -5.671 -1.257 1.00 1.41 C ATOM 341 O ILE A 24 2.465 -4.479 -1.043 1.00 1.50 O ATOM 342 CB ILE A 24 3.235 -7.011 -3.205 1.00 1.67 C ATOM 343 CG1 ILE A 24 4.499 -7.676 -3.758 1.00 1.93 C ATOM 344 CG2 ILE A 24 2.865 -5.824 -4.100 1.00 1.78 C ATOM 345 CD1 ILE A 24 4.145 -8.480 -5.011 1.00 1.96 C ATOM 0 H ILE A 24 3.448 -8.645 -1.453 1.00 1.61 H new ATOM 0 HA ILE A 24 4.396 -5.925 -1.720 1.00 1.65 H new ATOM 0 HB ILE A 24 2.414 -7.728 -3.194 1.00 1.67 H new ATOM 0 HG12 ILE A 24 5.246 -6.919 -3.997 1.00 1.93 H new ATOM 0 HG13 ILE A 24 4.938 -8.330 -3.005 1.00 1.93 H new ATOM 0 HG21 ILE A 24 2.686 -6.176 -5.116 1.00 1.78 H new ATOM 0 HG22 ILE A 24 1.963 -5.347 -3.717 1.00 1.78 H new ATOM 0 HG23 ILE A 24 3.682 -5.103 -4.104 1.00 1.78 H new ATOM 0 HD11 ILE A 24 5.044 -8.954 -5.405 1.00 1.96 H new ATOM 0 HD12 ILE A 24 3.413 -9.246 -4.757 1.00 1.96 H new ATOM 0 HD13 ILE A 24 3.726 -7.813 -5.765 1.00 1.96 H new ATOM 357 N ALA A 25 1.190 -6.290 -1.032 1.00 1.15 N ATOM 358 CA ALA A 25 0.008 -5.547 -0.503 1.00 0.95 C ATOM 359 C ALA A 25 0.337 -4.964 0.872 1.00 0.95 C ATOM 360 O ALA A 25 0.113 -3.799 1.128 1.00 0.94 O ATOM 361 CB ALA A 25 -1.109 -6.593 -0.403 1.00 0.78 C ATOM 0 H ALA A 25 1.033 -7.285 -1.194 1.00 1.15 H new ATOM 0 HA ALA A 25 -0.283 -4.712 -1.141 1.00 0.95 H new ATOM 0 HB1 ALA A 25 -2.015 -6.123 -0.020 1.00 0.78 H new ATOM 0 HB2 ALA A 25 -1.306 -7.010 -1.390 1.00 0.78 H new ATOM 0 HB3 ALA A 25 -0.801 -7.391 0.273 1.00 0.78 H new ATOM 367 N ALA A 26 0.892 -5.762 1.749 1.00 1.05 N ATOM 368 CA ALA A 26 1.266 -5.246 3.105 1.00 1.15 C ATOM 369 C ALA A 26 2.247 -4.079 2.944 1.00 1.34 C ATOM 370 O ALA A 26 2.107 -3.044 3.573 1.00 1.31 O ATOM 371 CB ALA A 26 1.925 -6.426 3.826 1.00 1.43 C ATOM 0 H ALA A 26 1.103 -6.747 1.587 1.00 1.05 H new ATOM 0 HA ALA A 26 0.409 -4.877 3.668 1.00 1.15 H new ATOM 0 HB1 ALA A 26 2.225 -6.119 4.828 1.00 1.43 H new ATOM 0 HB2 ALA A 26 1.216 -7.251 3.896 1.00 1.43 H new ATOM 0 HB3 ALA A 26 2.804 -6.749 3.267 1.00 1.43 H new ATOM 377 N LEU A 27 3.218 -4.227 2.077 1.00 1.57 N ATOM 378 CA LEU A 27 4.184 -3.117 1.838 1.00 1.84 C ATOM 379 C LEU A 27 3.419 -1.903 1.289 1.00 1.75 C ATOM 380 O LEU A 27 3.594 -0.789 1.751 1.00 1.83 O ATOM 381 CB LEU A 27 5.174 -3.670 0.804 1.00 2.11 C ATOM 382 CG LEU A 27 5.976 -2.524 0.184 1.00 2.44 C ATOM 383 CD1 LEU A 27 7.461 -2.877 0.193 1.00 2.85 C ATOM 384 CD2 LEU A 27 5.517 -2.304 -1.259 1.00 2.48 C ATOM 0 H LEU A 27 3.381 -5.069 1.526 1.00 1.57 H new ATOM 0 HA LEU A 27 4.703 -2.791 2.740 1.00 1.84 H new ATOM 0 HB2 LEU A 27 5.849 -4.382 1.279 1.00 2.11 H new ATOM 0 HB3 LEU A 27 4.636 -4.211 0.026 1.00 2.11 H new ATOM 0 HG LEU A 27 5.814 -1.614 0.762 1.00 2.44 H new ATOM 0 HD11 LEU A 27 8.032 -2.060 -0.249 1.00 2.85 H new ATOM 0 HD12 LEU A 27 7.791 -3.036 1.220 1.00 2.85 H new ATOM 0 HD13 LEU A 27 7.622 -3.787 -0.385 1.00 2.85 H new ATOM 0 HD21 LEU A 27 6.088 -1.488 -1.702 1.00 2.48 H new ATOM 0 HD22 LEU A 27 5.679 -3.215 -1.835 1.00 2.48 H new ATOM 0 HD23 LEU A 27 4.456 -2.053 -1.269 1.00 2.48 H new ATOM 396 N GLY A 28 2.552 -2.121 0.322 1.00 1.63 N ATOM 397 CA GLY A 28 1.748 -0.993 -0.245 1.00 1.67 C ATOM 398 C GLY A 28 0.910 -0.370 0.874 1.00 1.44 C ATOM 399 O GLY A 28 0.816 0.836 0.992 1.00 1.56 O ATOM 0 H GLY A 28 2.369 -3.033 -0.097 1.00 1.63 H new ATOM 0 HA2 GLY A 28 2.407 -0.244 -0.684 1.00 1.67 H new ATOM 0 HA3 GLY A 28 1.101 -1.356 -1.044 1.00 1.67 H new ATOM 403 N ALA A 29 0.321 -1.189 1.711 1.00 1.14 N ATOM 404 CA ALA A 29 -0.489 -0.653 2.844 1.00 0.93 C ATOM 405 C ALA A 29 0.418 0.139 3.783 1.00 1.04 C ATOM 406 O ALA A 29 0.088 1.233 4.209 1.00 1.04 O ATOM 407 CB ALA A 29 -1.072 -1.885 3.546 1.00 0.72 C ATOM 0 H ALA A 29 0.368 -2.206 1.657 1.00 1.14 H new ATOM 0 HA ALA A 29 -1.280 0.021 2.516 1.00 0.93 H new ATOM 0 HB1 ALA A 29 -1.681 -1.567 4.392 1.00 0.72 H new ATOM 0 HB2 ALA A 29 -1.690 -2.445 2.844 1.00 0.72 H new ATOM 0 HB3 ALA A 29 -0.260 -2.519 3.901 1.00 0.72 H new ATOM 413 N LEU A 30 1.572 -0.396 4.079 1.00 1.22 N ATOM 414 CA LEU A 30 2.535 0.328 4.959 1.00 1.44 C ATOM 415 C LEU A 30 2.916 1.658 4.295 1.00 1.65 C ATOM 416 O LEU A 30 2.990 2.685 4.940 1.00 1.70 O ATOM 417 CB LEU A 30 3.747 -0.607 5.081 1.00 1.74 C ATOM 418 CG LEU A 30 3.575 -1.510 6.305 1.00 1.75 C ATOM 419 CD1 LEU A 30 4.451 -2.753 6.150 1.00 2.02 C ATOM 420 CD2 LEU A 30 3.997 -0.745 7.561 1.00 1.98 C ATOM 0 H LEU A 30 1.891 -1.307 3.748 1.00 1.22 H new ATOM 0 HA LEU A 30 2.127 0.565 5.941 1.00 1.44 H new ATOM 0 HB2 LEU A 30 3.844 -1.213 4.180 1.00 1.74 H new ATOM 0 HB3 LEU A 30 4.663 -0.023 5.173 1.00 1.74 H new ATOM 0 HG LEU A 30 2.531 -1.811 6.392 1.00 1.75 H new ATOM 0 HD11 LEU A 30 4.328 -3.396 7.022 1.00 2.02 H new ATOM 0 HD12 LEU A 30 4.155 -3.297 5.253 1.00 2.02 H new ATOM 0 HD13 LEU A 30 5.496 -2.454 6.064 1.00 2.02 H new ATOM 0 HD21 LEU A 30 3.876 -1.385 8.435 1.00 1.98 H new ATOM 0 HD22 LEU A 30 5.042 -0.447 7.472 1.00 1.98 H new ATOM 0 HD23 LEU A 30 3.375 0.143 7.673 1.00 1.98 H new ATOM 432 N ILE A 31 3.121 1.649 2.997 1.00 1.81 N ATOM 433 CA ILE A 31 3.462 2.917 2.276 1.00 2.11 C ATOM 434 C ILE A 31 2.246 3.853 2.298 1.00 1.99 C ATOM 435 O ILE A 31 2.355 5.016 2.644 1.00 2.11 O ATOM 436 CB ILE A 31 3.810 2.485 0.844 1.00 2.36 C ATOM 437 CG1 ILE A 31 5.212 1.869 0.832 1.00 2.62 C ATOM 438 CG2 ILE A 31 3.786 3.694 -0.100 1.00 2.65 C ATOM 439 CD1 ILE A 31 5.369 0.984 -0.408 1.00 2.93 C ATOM 0 H ILE A 31 3.067 0.818 2.407 1.00 1.81 H new ATOM 0 HA ILE A 31 4.291 3.458 2.732 1.00 2.11 H new ATOM 0 HB ILE A 31 3.074 1.756 0.506 1.00 2.36 H new ATOM 0 HG12 ILE A 31 5.967 2.656 0.829 1.00 2.62 H new ATOM 0 HG13 ILE A 31 5.370 1.280 1.735 1.00 2.62 H new ATOM 0 HG21 ILE A 31 4.035 3.371 -1.111 1.00 2.65 H new ATOM 0 HG22 ILE A 31 2.791 4.139 -0.096 1.00 2.65 H new ATOM 0 HG23 ILE A 31 4.515 4.432 0.235 1.00 2.65 H new ATOM 0 HD11 ILE A 31 6.367 0.545 -0.418 1.00 2.93 H new ATOM 0 HD12 ILE A 31 4.623 0.190 -0.385 1.00 2.93 H new ATOM 0 HD13 ILE A 31 5.229 1.587 -1.305 1.00 2.93 H new ATOM 451 N LEU A 32 1.085 3.348 1.956 1.00 1.80 N ATOM 452 CA LEU A 32 -0.142 4.202 1.982 1.00 1.79 C ATOM 453 C LEU A 32 -0.327 4.783 3.391 1.00 1.54 C ATOM 454 O LEU A 32 -0.537 5.971 3.561 1.00 1.67 O ATOM 455 CB LEU A 32 -1.305 3.265 1.625 1.00 1.69 C ATOM 456 CG LEU A 32 -1.877 3.652 0.257 1.00 2.26 C ATOM 457 CD1 LEU A 32 -1.177 2.843 -0.836 1.00 2.41 C ATOM 458 CD2 LEU A 32 -3.377 3.346 0.220 1.00 2.56 C ATOM 0 H LEU A 32 0.935 2.383 1.661 1.00 1.80 H new ATOM 0 HA LEU A 32 -0.082 5.039 1.286 1.00 1.79 H new ATOM 0 HB2 LEU A 32 -0.960 2.231 1.607 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -2.083 3.328 2.386 1.00 1.69 H new ATOM 0 HG LEU A 32 -1.716 4.717 0.090 1.00 2.26 H new ATOM 0 HD11 LEU A 32 -1.584 3.118 -1.809 1.00 2.41 H new ATOM 0 HD12 LEU A 32 -0.108 3.054 -0.817 1.00 2.41 H new ATOM 0 HD13 LEU A 32 -1.340 1.779 -0.662 1.00 2.41 H new ATOM 0 HD21 LEU A 32 -3.781 3.622 -0.754 1.00 2.56 H new ATOM 0 HD22 LEU A 32 -3.535 2.281 0.390 1.00 2.56 H new ATOM 0 HD23 LEU A 32 -3.884 3.917 0.998 1.00 2.56 H new ATOM 470 N GLY A 33 -0.237 3.947 4.399 1.00 1.23 N ATOM 471 CA GLY A 33 -0.400 4.420 5.808 1.00 1.03 C ATOM 472 C GLY A 33 0.720 5.395 6.191 1.00 1.27 C ATOM 473 O GLY A 33 0.501 6.330 6.935 1.00 1.26 O ATOM 0 H GLY A 33 -0.056 2.948 4.303 1.00 1.23 H new ATOM 0 HA2 GLY A 33 -1.368 4.909 5.922 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -0.392 3.566 6.486 1.00 1.03 H new ATOM 477 N CYS A 34 1.918 5.184 5.709 1.00 1.57 N ATOM 478 CA CYS A 34 3.036 6.112 6.073 1.00 1.90 C ATOM 479 C CYS A 34 2.982 7.406 5.242 1.00 2.12 C ATOM 480 O CYS A 34 3.409 8.452 5.695 1.00 2.28 O ATOM 481 CB CYS A 34 4.323 5.334 5.785 1.00 2.21 C ATOM 482 SG CYS A 34 5.464 5.535 7.177 1.00 2.40 S ATOM 0 H CYS A 34 2.171 4.418 5.085 1.00 1.57 H new ATOM 0 HA CYS A 34 2.973 6.420 7.117 1.00 1.90 H new ATOM 0 HB2 CYS A 34 4.098 4.278 5.633 1.00 2.21 H new ATOM 0 HB3 CYS A 34 4.784 5.697 4.866 1.00 2.21 H new ATOM 0 HG CYS A 34 6.558 4.875 6.940 1.00 2.40 H new ATOM 488 N TRP A 35 2.471 7.353 4.032 1.00 2.22 N ATOM 489 CA TRP A 35 2.410 8.596 3.193 1.00 2.55 C ATOM 490 C TRP A 35 1.095 9.368 3.430 1.00 2.40 C ATOM 491 O TRP A 35 1.063 10.580 3.325 1.00 2.61 O ATOM 492 CB TRP A 35 2.540 8.105 1.732 1.00 2.85 C ATOM 493 CG TRP A 35 1.284 8.377 0.956 1.00 2.90 C ATOM 494 CD1 TRP A 35 0.243 7.524 0.853 1.00 2.80 C ATOM 495 CD2 TRP A 35 0.917 9.561 0.185 1.00 3.20 C ATOM 496 NE1 TRP A 35 -0.737 8.100 0.064 1.00 3.03 N ATOM 497 CE2 TRP A 35 -0.367 9.355 -0.371 1.00 3.27 C ATOM 498 CE3 TRP A 35 1.568 10.777 -0.088 1.00 3.50 C ATOM 499 CZ2 TRP A 35 -0.986 10.319 -1.165 1.00 3.62 C ATOM 500 CZ3 TRP A 35 0.948 11.752 -0.887 1.00 3.83 C ATOM 501 CH2 TRP A 35 -0.326 11.522 -1.425 1.00 3.88 C ATOM 0 H TRP A 35 2.097 6.512 3.593 1.00 2.22 H new ATOM 0 HA TRP A 35 3.203 9.300 3.446 1.00 2.55 H new ATOM 0 HB2 TRP A 35 3.383 8.602 1.252 1.00 2.85 H new ATOM 0 HB3 TRP A 35 2.753 7.036 1.722 1.00 2.85 H new ATOM 0 HD1 TRP A 35 0.184 6.548 1.313 1.00 2.80 H new ATOM 0 HE1 TRP A 35 -1.624 7.652 -0.167 1.00 3.03 H new ATOM 0 HE3 TRP A 35 2.551 10.963 0.319 1.00 3.50 H new ATOM 0 HZ2 TRP A 35 -1.968 10.137 -1.576 1.00 3.62 H new ATOM 0 HZ3 TRP A 35 1.456 12.684 -1.088 1.00 3.83 H new ATOM 0 HH2 TRP A 35 -0.797 12.275 -2.040 1.00 3.88 H new ATOM 512 N CYS A 36 0.014 8.692 3.740 1.00 2.12 N ATOM 513 CA CYS A 36 -1.270 9.409 3.964 1.00 2.09 C ATOM 514 C CYS A 36 -1.888 9.017 5.309 1.00 1.72 C ATOM 515 O CYS A 36 -1.720 7.917 5.799 1.00 1.45 O ATOM 516 CB CYS A 36 -2.174 8.967 2.810 1.00 2.32 C ATOM 517 SG CYS A 36 -3.521 10.159 2.604 1.00 2.71 S ATOM 0 H CYS A 36 -0.029 7.678 3.846 1.00 2.12 H new ATOM 0 HA CYS A 36 -1.132 10.490 3.991 1.00 2.09 H new ATOM 0 HB2 CYS A 36 -1.596 8.894 1.889 1.00 2.32 H new ATOM 0 HB3 CYS A 36 -2.580 7.976 3.011 1.00 2.32 H new ATOM 0 HG CYS A 36 -4.286 9.784 1.622 1.00 2.71 H new ATOM 523 N TYR A 37 -2.615 9.917 5.897 1.00 1.79 N ATOM 524 CA TYR A 37 -3.277 9.626 7.207 1.00 1.55 C ATOM 525 C TYR A 37 -4.565 8.817 6.968 1.00 1.61 C ATOM 526 O TYR A 37 -4.891 7.919 7.720 1.00 1.48 O ATOM 527 CB TYR A 37 -3.595 11.002 7.806 1.00 1.72 C ATOM 528 CG TYR A 37 -2.798 11.216 9.072 1.00 1.77 C ATOM 529 CD1 TYR A 37 -3.307 10.774 10.299 1.00 2.02 C ATOM 530 CD2 TYR A 37 -1.561 11.871 9.023 1.00 2.31 C ATOM 531 CE1 TYR A 37 -2.578 10.986 11.475 1.00 2.56 C ATOM 532 CE2 TYR A 37 -0.833 12.079 10.200 1.00 2.79 C ATOM 533 CZ TYR A 37 -1.342 11.639 11.425 1.00 2.84 C ATOM 534 OH TYR A 37 -0.625 11.848 12.584 1.00 3.56 O ATOM 0 H TYR A 37 -2.785 10.853 5.529 1.00 1.79 H new ATOM 0 HA TYR A 37 -2.650 9.036 7.875 1.00 1.55 H new ATOM 0 HB2 TYR A 37 -3.361 11.784 7.084 1.00 1.72 H new ATOM 0 HB3 TYR A 37 -4.661 11.075 8.022 1.00 1.72 H new ATOM 0 HD1 TYR A 37 -4.261 10.270 10.338 1.00 2.02 H new ATOM 0 HD2 TYR A 37 -1.169 12.215 8.077 1.00 2.31 H new ATOM 0 HE1 TYR A 37 -2.970 10.645 12.422 1.00 2.56 H new ATOM 0 HE2 TYR A 37 0.123 12.580 10.162 1.00 2.79 H new ATOM 0 HH TYR A 37 0.211 12.314 12.372 1.00 3.56 H new ATOM 544 N LEU A 38 -5.293 9.127 5.918 1.00 1.97 N ATOM 545 CA LEU A 38 -6.562 8.372 5.625 1.00 2.15 C ATOM 546 C LEU A 38 -6.263 7.101 4.836 1.00 2.03 C ATOM 547 O LEU A 38 -6.548 6.014 5.293 1.00 1.90 O ATOM 548 CB LEU A 38 -7.458 9.305 4.787 1.00 2.64 C ATOM 549 CG LEU A 38 -7.321 10.751 5.259 1.00 2.77 C ATOM 550 CD1 LEU A 38 -8.257 11.641 4.448 1.00 3.27 C ATOM 551 CD2 LEU A 38 -7.690 10.853 6.742 1.00 2.69 C ATOM 0 H LEU A 38 -5.067 9.866 5.253 1.00 1.97 H new ATOM 0 HA LEU A 38 -7.052 8.079 6.553 1.00 2.15 H new ATOM 0 HB2 LEU A 38 -7.183 9.233 3.735 1.00 2.64 H new ATOM 0 HB3 LEU A 38 -8.498 8.988 4.867 1.00 2.64 H new ATOM 0 HG LEU A 38 -6.290 11.075 5.120 1.00 2.77 H new ATOM 0 HD11 LEU A 38 -8.160 12.673 4.784 1.00 3.27 H new ATOM 0 HD12 LEU A 38 -7.995 11.577 3.392 1.00 3.27 H new ATOM 0 HD13 LEU A 38 -9.286 11.309 4.587 1.00 3.27 H new ATOM 0 HD21 LEU A 38 -7.590 11.887 7.072 1.00 2.69 H new ATOM 0 HD22 LEU A 38 -8.720 10.525 6.884 1.00 2.69 H new ATOM 0 HD23 LEU A 38 -7.023 10.220 7.327 1.00 2.69 H new ATOM 563 N ARG A 39 -5.703 7.252 3.654 1.00 2.16 N ATOM 564 CA ARG A 39 -5.375 6.070 2.771 1.00 2.10 C ATOM 565 C ARG A 39 -6.343 4.904 3.034 1.00 2.06 C ATOM 566 O ARG A 39 -5.994 3.896 3.616 1.00 1.72 O ATOM 567 CB ARG A 39 -3.914 5.668 3.074 1.00 1.78 C ATOM 568 CG ARG A 39 -3.499 6.029 4.509 1.00 1.49 C ATOM 569 CD ARG A 39 -3.903 4.910 5.467 1.00 1.20 C ATOM 570 NE ARG A 39 -3.921 5.561 6.808 1.00 1.09 N ATOM 571 CZ ARG A 39 -2.918 5.426 7.615 1.00 0.83 C ATOM 572 NH1 ARG A 39 -2.864 4.407 8.409 1.00 0.79 N ATOM 573 NH2 ARG A 39 -1.960 6.294 7.599 1.00 0.90 N ATOM 0 H ARG A 39 -5.454 8.157 3.254 1.00 2.16 H new ATOM 0 HA ARG A 39 -5.485 6.331 1.718 1.00 2.10 H new ATOM 0 HB2 ARG A 39 -3.795 4.595 2.922 1.00 1.78 H new ATOM 0 HB3 ARG A 39 -3.248 6.166 2.369 1.00 1.78 H new ATOM 0 HG2 ARG A 39 -2.422 6.188 4.556 1.00 1.49 H new ATOM 0 HG3 ARG A 39 -3.972 6.964 4.809 1.00 1.49 H new ATOM 0 HD2 ARG A 39 -4.880 4.500 5.211 1.00 1.20 H new ATOM 0 HD3 ARG A 39 -3.193 4.084 5.436 1.00 1.20 H new ATOM 0 HE ARG A 39 -4.728 6.116 7.091 1.00 1.09 H new ATOM 0 HH11 ARG A 39 -3.611 3.712 8.398 1.00 0.79 H new ATOM 0 HH12 ARG A 39 -2.075 4.298 9.046 1.00 0.79 H new ATOM 0 HH21 ARG A 39 -1.996 7.082 6.952 1.00 0.90 H new ATOM 0 HH22 ARG A 39 -1.168 6.191 8.233 1.00 0.90 H new ATOM 587 N LEU A 40 -7.567 5.058 2.618 1.00 2.49 N ATOM 588 CA LEU A 40 -8.580 3.985 2.852 1.00 2.61 C ATOM 589 C LEU A 40 -8.587 2.971 1.702 1.00 2.66 C ATOM 590 O LEU A 40 -9.380 3.063 0.784 1.00 3.02 O ATOM 591 CB LEU A 40 -9.926 4.713 2.947 1.00 3.21 C ATOM 592 CG LEU A 40 -10.364 4.798 4.409 1.00 3.39 C ATOM 593 CD1 LEU A 40 -9.814 6.083 5.034 1.00 3.79 C ATOM 594 CD2 LEU A 40 -11.893 4.819 4.477 1.00 3.73 C ATOM 0 H LEU A 40 -7.914 5.881 2.125 1.00 2.49 H new ATOM 0 HA LEU A 40 -8.361 3.416 3.756 1.00 2.61 H new ATOM 0 HB2 LEU A 40 -9.839 5.714 2.525 1.00 3.21 H new ATOM 0 HB3 LEU A 40 -10.678 4.184 2.362 1.00 3.21 H new ATOM 0 HG LEU A 40 -9.982 3.935 4.954 1.00 3.39 H new ATOM 0 HD11 LEU A 40 -10.127 6.143 6.076 1.00 3.79 H new ATOM 0 HD12 LEU A 40 -8.725 6.076 4.981 1.00 3.79 H new ATOM 0 HD13 LEU A 40 -10.198 6.946 4.490 1.00 3.79 H new ATOM 0 HD21 LEU A 40 -12.210 4.880 5.518 1.00 3.73 H new ATOM 0 HD22 LEU A 40 -12.270 5.685 3.932 1.00 3.73 H new ATOM 0 HD23 LEU A 40 -12.290 3.908 4.029 1.00 3.73 H new ATOM 606 N GLN A 41 -7.721 1.984 1.764 1.00 2.35 N ATOM 607 CA GLN A 41 -7.686 0.933 0.690 1.00 2.44 C ATOM 608 C GLN A 41 -9.084 0.305 0.507 1.00 2.72 C ATOM 609 O GLN A 41 -9.382 -0.279 -0.519 1.00 3.00 O ATOM 610 CB GLN A 41 -6.676 -0.112 1.185 1.00 2.02 C ATOM 611 CG GLN A 41 -5.252 0.345 0.841 1.00 1.98 C ATOM 612 CD GLN A 41 -4.526 0.790 2.112 1.00 1.95 C ATOM 613 OE1 GLN A 41 -4.598 1.935 2.499 1.00 2.53 O ATOM 614 NE2 GLN A 41 -3.834 -0.077 2.782 1.00 1.70 N ATOM 0 H GLN A 41 -7.037 1.860 2.511 1.00 2.35 H new ATOM 0 HA GLN A 41 -7.400 1.343 -0.279 1.00 2.44 H new ATOM 0 HB2 GLN A 41 -6.775 -0.247 2.262 1.00 2.02 H new ATOM 0 HB3 GLN A 41 -6.881 -1.078 0.723 1.00 2.02 H new ATOM 0 HG2 GLN A 41 -4.705 -0.469 0.365 1.00 1.98 H new ATOM 0 HG3 GLN A 41 -5.287 1.167 0.126 1.00 1.98 H new ATOM 0 HE21 GLN A 41 -3.773 -1.042 2.457 1.00 1.70 H new ATOM 0 HE22 GLN A 41 -3.351 0.205 3.635 1.00 1.70 H new ATOM 623 N ARG A 42 -9.942 0.433 1.495 1.00 2.75 N ATOM 624 CA ARG A 42 -11.318 -0.130 1.398 1.00 3.12 C ATOM 625 C ARG A 42 -12.251 0.613 2.374 1.00 3.49 C ATOM 626 O ARG A 42 -12.089 1.795 2.609 1.00 3.62 O ATOM 627 CB ARG A 42 -11.145 -1.592 1.788 1.00 2.81 C ATOM 628 CG ARG A 42 -12.230 -2.437 1.112 1.00 3.15 C ATOM 629 CD ARG A 42 -11.631 -3.203 -0.073 1.00 3.13 C ATOM 630 NE ARG A 42 -10.578 -4.073 0.524 1.00 2.81 N ATOM 631 CZ ARG A 42 -10.685 -5.362 0.482 1.00 2.38 C ATOM 632 NH1 ARG A 42 -10.464 -5.990 -0.627 1.00 2.25 N ATOM 633 NH2 ARG A 42 -10.994 -6.013 1.558 1.00 2.32 N ATOM 0 H ARG A 42 -9.739 0.911 2.373 1.00 2.75 H new ATOM 0 HA ARG A 42 -11.765 -0.026 0.409 1.00 3.12 H new ATOM 0 HB2 ARG A 42 -10.157 -1.944 1.490 1.00 2.81 H new ATOM 0 HB3 ARG A 42 -11.208 -1.700 2.871 1.00 2.81 H new ATOM 0 HG2 ARG A 42 -12.658 -3.137 1.830 1.00 3.15 H new ATOM 0 HG3 ARG A 42 -13.042 -1.796 0.769 1.00 3.15 H new ATOM 0 HD2 ARG A 42 -12.390 -3.796 -0.584 1.00 3.13 H new ATOM 0 HD3 ARG A 42 -11.208 -2.521 -0.811 1.00 3.13 H new ATOM 0 HE ARG A 42 -9.765 -3.648 0.970 1.00 2.81 H new ATOM 0 HH11 ARG A 42 -10.206 -5.469 -1.465 1.00 2.25 H new ATOM 0 HH12 ARG A 42 -10.548 -7.006 -0.663 1.00 2.25 H new ATOM 0 HH21 ARG A 42 -11.151 -5.510 2.431 1.00 2.32 H new ATOM 0 HH22 ARG A 42 -11.080 -7.029 1.532 1.00 2.32 H new ATOM 647 N ILE A 43 -13.212 -0.066 2.959 1.00 3.71 N ATOM 648 CA ILE A 43 -14.138 0.583 3.922 1.00 4.16 C ATOM 649 C ILE A 43 -13.356 1.274 5.059 1.00 4.01 C ATOM 650 O ILE A 43 -13.820 2.233 5.651 1.00 4.36 O ATOM 651 CB ILE A 43 -14.979 -0.607 4.410 1.00 4.37 C ATOM 652 CG1 ILE A 43 -16.453 -0.300 4.186 1.00 4.94 C ATOM 653 CG2 ILE A 43 -14.723 -0.927 5.881 1.00 4.40 C ATOM 654 CD1 ILE A 43 -16.908 0.814 5.136 1.00 5.34 C ATOM 0 H ILE A 43 -13.390 -1.058 2.802 1.00 3.71 H new ATOM 0 HA ILE A 43 -14.747 1.381 3.498 1.00 4.16 H new ATOM 0 HB ILE A 43 -14.688 -1.488 3.837 1.00 4.37 H new ATOM 0 HG12 ILE A 43 -16.616 0.004 3.152 1.00 4.94 H new ATOM 0 HG13 ILE A 43 -17.049 -1.197 4.353 1.00 4.94 H new ATOM 0 HG21 ILE A 43 -15.339 -1.775 6.182 1.00 4.40 H new ATOM 0 HG22 ILE A 43 -13.671 -1.175 6.022 1.00 4.40 H new ATOM 0 HG23 ILE A 43 -14.976 -0.060 6.491 1.00 4.40 H new ATOM 0 HD11 ILE A 43 -17.964 1.027 4.968 1.00 5.34 H new ATOM 0 HD12 ILE A 43 -16.762 0.495 6.168 1.00 5.34 H new ATOM 0 HD13 ILE A 43 -16.322 1.714 4.948 1.00 5.34 H new ATOM 666 N SER A 44 -12.170 0.790 5.359 1.00 3.52 N ATOM 667 CA SER A 44 -11.331 1.397 6.445 1.00 3.43 C ATOM 668 C SER A 44 -10.001 0.641 6.542 1.00 2.82 C ATOM 669 O SER A 44 -9.818 -0.196 7.407 1.00 2.89 O ATOM 670 CB SER A 44 -12.131 1.226 7.742 1.00 3.99 C ATOM 671 OG SER A 44 -13.011 2.335 7.916 1.00 4.47 O ATOM 0 H SER A 44 -11.744 -0.010 4.891 1.00 3.52 H new ATOM 0 HA SER A 44 -11.109 2.447 6.252 1.00 3.43 H new ATOM 0 HB2 SER A 44 -12.702 0.298 7.708 1.00 3.99 H new ATOM 0 HB3 SER A 44 -11.452 1.152 8.592 1.00 3.99 H new ATOM 0 HG SER A 44 -13.500 2.498 7.083 1.00 4.47 H new ATOM 677 N GLN A 45 -9.078 0.924 5.652 1.00 2.35 N ATOM 678 CA GLN A 45 -7.746 0.227 5.663 1.00 1.79 C ATOM 679 C GLN A 45 -7.919 -1.288 5.903 1.00 1.80 C ATOM 680 O GLN A 45 -7.400 -1.836 6.858 1.00 1.92 O ATOM 681 CB GLN A 45 -6.979 0.878 6.820 1.00 1.86 C ATOM 682 CG GLN A 45 -6.243 2.133 6.323 1.00 1.54 C ATOM 683 CD GLN A 45 -4.796 2.128 6.823 1.00 1.20 C ATOM 684 OE1 GLN A 45 -4.497 2.664 7.875 1.00 1.14 O ATOM 685 NE2 GLN A 45 -3.873 1.556 6.107 1.00 1.30 N ATOM 0 H GLN A 45 -9.190 1.615 4.910 1.00 2.35 H new ATOM 0 HA GLN A 45 -7.222 0.325 4.712 1.00 1.79 H new ATOM 0 HB2 GLN A 45 -7.669 1.144 7.620 1.00 1.86 H new ATOM 0 HB3 GLN A 45 -6.264 0.169 7.238 1.00 1.86 H new ATOM 0 HG2 GLN A 45 -6.259 2.166 5.234 1.00 1.54 H new ATOM 0 HG3 GLN A 45 -6.755 3.028 6.677 1.00 1.54 H new ATOM 0 HE21 GLN A 45 -4.118 1.106 5.225 1.00 1.30 H new ATOM 0 HE22 GLN A 45 -2.905 1.558 6.427 1.00 1.30 H new ATOM 694 N SER A 46 -8.655 -1.965 5.050 1.00 1.82 N ATOM 695 CA SER A 46 -8.867 -3.429 5.246 1.00 1.92 C ATOM 696 C SER A 46 -8.874 -4.191 3.908 1.00 1.55 C ATOM 697 O SER A 46 -9.918 -4.570 3.404 1.00 1.76 O ATOM 698 CB SER A 46 -10.229 -3.553 5.937 1.00 2.65 C ATOM 699 OG SER A 46 -10.119 -3.119 7.289 1.00 3.78 O ATOM 0 H SER A 46 -9.114 -1.565 4.232 1.00 1.82 H new ATOM 0 HA SER A 46 -8.060 -3.864 5.836 1.00 1.92 H new ATOM 0 HB2 SER A 46 -10.971 -2.953 5.411 1.00 2.65 H new ATOM 0 HB3 SER A 46 -10.573 -4.587 5.903 1.00 2.65 H new ATOM 0 HG SER A 46 -10.050 -2.142 7.314 1.00 3.78 H new ATOM 705 N GLU A 47 -7.718 -4.433 3.344 1.00 1.28 N ATOM 706 CA GLU A 47 -7.640 -5.195 2.058 1.00 1.30 C ATOM 707 C GLU A 47 -7.351 -6.679 2.347 1.00 1.33 C ATOM 708 O GLU A 47 -6.787 -7.020 3.371 1.00 1.50 O ATOM 709 CB GLU A 47 -6.496 -4.550 1.255 1.00 1.51 C ATOM 710 CG GLU A 47 -5.178 -4.613 2.050 1.00 1.79 C ATOM 711 CD GLU A 47 -4.858 -3.235 2.633 1.00 1.75 C ATOM 712 OE1 GLU A 47 -5.446 -2.889 3.645 1.00 1.75 O ATOM 713 OE2 GLU A 47 -4.034 -2.547 2.055 1.00 2.02 O ATOM 0 H GLU A 47 -6.818 -4.134 3.721 1.00 1.28 H new ATOM 0 HA GLU A 47 -8.575 -5.157 1.499 1.00 1.30 H new ATOM 0 HB2 GLU A 47 -6.378 -5.065 0.301 1.00 1.51 H new ATOM 0 HB3 GLU A 47 -6.742 -3.513 1.029 1.00 1.51 H new ATOM 0 HG2 GLU A 47 -5.261 -5.347 2.852 1.00 1.79 H new ATOM 0 HG3 GLU A 47 -4.366 -4.941 1.401 1.00 1.79 H new ATOM 720 N ASP A 48 -7.740 -7.565 1.458 1.00 1.32 N ATOM 721 CA ASP A 48 -7.489 -9.031 1.698 1.00 1.44 C ATOM 722 C ASP A 48 -6.232 -9.494 0.948 1.00 1.18 C ATOM 723 O ASP A 48 -5.327 -10.053 1.535 1.00 1.32 O ATOM 724 CB ASP A 48 -8.732 -9.806 1.191 1.00 1.67 C ATOM 725 CG ASP A 48 -9.853 -8.857 0.764 1.00 1.56 C ATOM 726 OD1 ASP A 48 -9.840 -8.430 -0.377 1.00 1.64 O ATOM 727 OD2 ASP A 48 -10.698 -8.551 1.589 1.00 1.92 O ATOM 0 H ASP A 48 -8.216 -7.343 0.584 1.00 1.32 H new ATOM 0 HA ASP A 48 -7.326 -9.218 2.759 1.00 1.44 H new ATOM 0 HB2 ASP A 48 -8.449 -10.438 0.349 1.00 1.67 H new ATOM 0 HB3 ASP A 48 -9.095 -10.467 1.978 1.00 1.67 H new ATOM 732 N GLU A 49 -6.167 -9.268 -0.344 1.00 1.05 N ATOM 733 CA GLU A 49 -4.967 -9.696 -1.124 1.00 0.92 C ATOM 734 C GLU A 49 -4.754 -8.790 -2.347 1.00 0.83 C ATOM 735 O GLU A 49 -5.649 -8.079 -2.776 1.00 1.00 O ATOM 736 CB GLU A 49 -5.262 -11.137 -1.566 1.00 1.19 C ATOM 737 CG GLU A 49 -4.192 -12.086 -1.002 1.00 1.10 C ATOM 738 CD GLU A 49 -2.934 -12.054 -1.879 1.00 1.12 C ATOM 739 OE1 GLU A 49 -2.341 -10.991 -1.990 1.00 0.93 O ATOM 740 OE2 GLU A 49 -2.581 -13.094 -2.419 1.00 1.64 O ATOM 0 H GLU A 49 -6.894 -8.806 -0.889 1.00 1.05 H new ATOM 0 HA GLU A 49 -4.057 -9.630 -0.528 1.00 0.92 H new ATOM 0 HB2 GLU A 49 -6.249 -11.439 -1.216 1.00 1.19 H new ATOM 0 HB3 GLU A 49 -5.277 -11.197 -2.654 1.00 1.19 H new ATOM 0 HG2 GLU A 49 -3.940 -11.795 0.018 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -4.585 -13.102 -0.956 1.00 1.10 H new ATOM 747 N GLU A 50 -3.575 -8.825 -2.919 1.00 0.80 N ATOM 748 CA GLU A 50 -3.293 -7.982 -4.122 1.00 0.86 C ATOM 749 C GLU A 50 -3.527 -8.790 -5.405 1.00 0.94 C ATOM 750 O GLU A 50 -2.642 -9.454 -5.908 1.00 1.23 O ATOM 751 CB GLU A 50 -1.822 -7.578 -4.005 1.00 1.13 C ATOM 752 CG GLU A 50 -1.477 -6.616 -5.149 1.00 1.27 C ATOM 753 CD GLU A 50 -1.730 -5.175 -4.705 1.00 1.48 C ATOM 754 OE1 GLU A 50 -2.886 -4.783 -4.664 1.00 2.01 O ATOM 755 OE2 GLU A 50 -0.765 -4.490 -4.418 1.00 1.70 O ATOM 0 H GLU A 50 -2.795 -9.402 -2.604 1.00 0.80 H new ATOM 0 HA GLU A 50 -3.947 -7.111 -4.169 1.00 0.86 H new ATOM 0 HB2 GLU A 50 -1.638 -7.100 -3.043 1.00 1.13 H new ATOM 0 HB3 GLU A 50 -1.184 -8.461 -4.050 1.00 1.13 H new ATOM 0 HG2 GLU A 50 -0.433 -6.740 -5.439 1.00 1.27 H new ATOM 0 HG3 GLU A 50 -2.081 -6.848 -6.026 1.00 1.27 H new ATOM 762 N SER A 51 -4.714 -8.739 -5.938 1.00 0.95 N ATOM 763 CA SER A 51 -5.009 -9.503 -7.188 1.00 1.20 C ATOM 764 C SER A 51 -6.005 -8.735 -8.064 1.00 1.30 C ATOM 765 O SER A 51 -5.630 -8.089 -9.022 1.00 1.33 O ATOM 766 CB SER A 51 -5.589 -10.838 -6.711 1.00 1.52 C ATOM 767 OG SER A 51 -6.830 -10.612 -6.045 1.00 1.97 O ATOM 0 H SER A 51 -5.496 -8.202 -5.564 1.00 0.95 H new ATOM 0 HA SER A 51 -4.122 -9.653 -7.803 1.00 1.20 H new ATOM 0 HB2 SER A 51 -5.737 -11.505 -7.560 1.00 1.52 H new ATOM 0 HB3 SER A 51 -4.888 -11.330 -6.037 1.00 1.52 H new ATOM 0 HG SER A 51 -7.200 -11.468 -5.743 1.00 1.97 H new ATOM 773 N ILE A 52 -7.264 -8.802 -7.743 1.00 1.56 N ATOM 774 CA ILE A 52 -8.295 -8.082 -8.555 1.00 1.85 C ATOM 775 C ILE A 52 -8.181 -6.566 -8.345 1.00 1.80 C ATOM 776 O ILE A 52 -8.404 -5.790 -9.251 1.00 2.05 O ATOM 777 CB ILE A 52 -9.650 -8.614 -8.062 1.00 2.12 C ATOM 778 CG1 ILE A 52 -9.982 -8.043 -6.676 1.00 2.02 C ATOM 779 CG2 ILE A 52 -9.605 -10.140 -7.973 1.00 2.28 C ATOM 780 CD1 ILE A 52 -11.360 -8.540 -6.230 1.00 2.45 C ATOM 0 H ILE A 52 -7.631 -9.327 -6.949 1.00 1.56 H new ATOM 0 HA ILE A 52 -8.168 -8.254 -9.624 1.00 1.85 H new ATOM 0 HB ILE A 52 -10.419 -8.304 -8.770 1.00 2.12 H new ATOM 0 HG12 ILE A 52 -9.224 -8.348 -5.955 1.00 2.02 H new ATOM 0 HG13 ILE A 52 -9.971 -6.954 -6.709 1.00 2.02 H new ATOM 0 HG21 ILE A 52 -10.568 -10.513 -7.623 1.00 2.28 H new ATOM 0 HG22 ILE A 52 -9.391 -10.556 -8.958 1.00 2.28 H new ATOM 0 HG23 ILE A 52 -8.824 -10.441 -7.275 1.00 2.28 H new ATOM 0 HD11 ILE A 52 -11.593 -8.133 -5.246 1.00 2.45 H new ATOM 0 HD12 ILE A 52 -12.114 -8.212 -6.946 1.00 2.45 H new ATOM 0 HD13 ILE A 52 -11.356 -9.629 -6.180 1.00 2.45 H new ATOM 792 N VAL A 53 -7.829 -6.144 -7.159 1.00 1.62 N ATOM 793 CA VAL A 53 -7.691 -4.671 -6.897 1.00 1.78 C ATOM 794 C VAL A 53 -6.390 -4.137 -7.514 1.00 1.72 C ATOM 795 O VAL A 53 -6.328 -3.009 -7.965 1.00 1.94 O ATOM 796 CB VAL A 53 -7.682 -4.502 -5.367 1.00 1.81 C ATOM 797 CG1 VAL A 53 -8.990 -5.038 -4.781 1.00 1.98 C ATOM 798 CG2 VAL A 53 -6.503 -5.265 -4.745 1.00 1.53 C ATOM 0 H VAL A 53 -7.631 -6.748 -6.361 1.00 1.62 H new ATOM 0 HA VAL A 53 -8.510 -4.109 -7.346 1.00 1.78 H new ATOM 0 HB VAL A 53 -7.579 -3.441 -5.139 1.00 1.81 H new ATOM 0 HG11 VAL A 53 -8.980 -4.917 -3.698 1.00 1.98 H new ATOM 0 HG12 VAL A 53 -9.830 -4.485 -5.200 1.00 1.98 H new ATOM 0 HG13 VAL A 53 -9.093 -6.095 -5.027 1.00 1.98 H new ATOM 0 HG21 VAL A 53 -6.514 -5.133 -3.663 1.00 1.53 H new ATOM 0 HG22 VAL A 53 -6.590 -6.325 -4.982 1.00 1.53 H new ATOM 0 HG23 VAL A 53 -5.567 -4.879 -5.148 1.00 1.53 H new ATOM 808 N GLY A 54 -5.357 -4.944 -7.541 1.00 1.52 N ATOM 809 CA GLY A 54 -4.055 -4.495 -8.130 1.00 1.57 C ATOM 810 C GLY A 54 -4.050 -4.743 -9.647 1.00 1.49 C ATOM 811 O GLY A 54 -3.341 -4.081 -10.382 1.00 1.50 O ATOM 0 H GLY A 54 -5.359 -5.898 -7.179 1.00 1.52 H new ATOM 0 HA2 GLY A 54 -3.900 -3.435 -7.926 1.00 1.57 H new ATOM 0 HA3 GLY A 54 -3.230 -5.033 -7.663 1.00 1.57 H new ATOM 815 N ASP A 55 -4.838 -5.691 -10.115 1.00 1.46 N ATOM 816 CA ASP A 55 -4.899 -6.000 -11.583 1.00 1.42 C ATOM 817 C ASP A 55 -3.535 -6.488 -12.108 1.00 1.27 C ATOM 818 O ASP A 55 -2.657 -6.854 -11.347 1.00 1.36 O ATOM 819 CB ASP A 55 -5.313 -4.677 -12.250 1.00 1.53 C ATOM 820 CG ASP A 55 -6.097 -4.954 -13.532 1.00 1.57 C ATOM 821 OD1 ASP A 55 -6.969 -5.805 -13.508 1.00 1.63 O ATOM 822 OD2 ASP A 55 -5.821 -4.300 -14.524 1.00 2.16 O ATOM 0 H ASP A 55 -5.446 -6.268 -9.534 1.00 1.46 H new ATOM 0 HA ASP A 55 -5.603 -6.803 -11.801 1.00 1.42 H new ATOM 0 HB2 ASP A 55 -5.922 -4.090 -11.563 1.00 1.53 H new ATOM 0 HB3 ASP A 55 -4.427 -4.084 -12.478 1.00 1.53 H new ATOM 827 N GLY A 56 -3.360 -6.516 -13.407 1.00 1.14 N ATOM 828 CA GLY A 56 -2.074 -6.990 -13.994 1.00 1.08 C ATOM 829 C GLY A 56 -2.370 -7.624 -15.347 1.00 1.00 C ATOM 830 O GLY A 56 -1.812 -7.243 -16.358 1.00 1.04 O ATOM 0 H GLY A 56 -4.061 -6.227 -14.089 1.00 1.14 H new ATOM 0 HA2 GLY A 56 -1.379 -6.158 -14.109 1.00 1.08 H new ATOM 0 HA3 GLY A 56 -1.598 -7.713 -13.332 1.00 1.08 H new ATOM 834 N GLU A 57 -3.263 -8.581 -15.370 1.00 0.99 N ATOM 835 CA GLU A 57 -3.618 -9.241 -16.659 1.00 1.04 C ATOM 836 C GLU A 57 -5.099 -9.025 -17.010 1.00 1.12 C ATOM 837 O GLU A 57 -5.446 -8.915 -18.169 1.00 1.17 O ATOM 838 CB GLU A 57 -3.322 -10.728 -16.446 1.00 1.19 C ATOM 839 CG GLU A 57 -2.335 -11.210 -17.517 1.00 1.25 C ATOM 840 CD GLU A 57 -2.978 -11.116 -18.900 1.00 1.36 C ATOM 841 OE1 GLU A 57 -3.795 -11.969 -19.218 1.00 1.50 O ATOM 842 OE2 GLU A 57 -2.648 -10.191 -19.622 1.00 1.38 O ATOM 0 H GLU A 57 -3.760 -8.932 -14.552 1.00 0.99 H new ATOM 0 HA GLU A 57 -3.048 -8.825 -17.490 1.00 1.04 H new ATOM 0 HB2 GLU A 57 -2.904 -10.888 -15.452 1.00 1.19 H new ATOM 0 HB3 GLU A 57 -4.245 -11.305 -16.500 1.00 1.19 H new ATOM 0 HG2 GLU A 57 -1.429 -10.605 -17.486 1.00 1.25 H new ATOM 0 HG3 GLU A 57 -2.039 -12.239 -17.314 1.00 1.25 H new ATOM 849 N THR A 58 -5.972 -8.962 -16.029 1.00 1.22 N ATOM 850 CA THR A 58 -7.434 -8.751 -16.311 1.00 1.38 C ATOM 851 C THR A 58 -7.636 -7.513 -17.203 1.00 1.31 C ATOM 852 O THR A 58 -7.638 -6.386 -16.736 1.00 1.28 O ATOM 853 CB THR A 58 -8.099 -8.560 -14.933 1.00 1.51 C ATOM 854 OG1 THR A 58 -7.114 -8.271 -13.945 1.00 1.51 O ATOM 855 CG2 THR A 58 -8.831 -9.845 -14.543 1.00 1.71 C ATOM 0 H THR A 58 -5.735 -9.048 -15.041 1.00 1.22 H new ATOM 0 HA THR A 58 -7.872 -9.593 -16.847 1.00 1.38 H new ATOM 0 HB THR A 58 -8.802 -7.729 -14.993 1.00 1.51 H new ATOM 0 HG1 THR A 58 -6.881 -7.320 -13.984 1.00 1.51 H new ATOM 0 HG21 THR A 58 -9.303 -9.714 -13.569 1.00 1.71 H new ATOM 0 HG22 THR A 58 -9.594 -10.070 -15.288 1.00 1.71 H new ATOM 0 HG23 THR A 58 -8.119 -10.669 -14.493 1.00 1.71 H new ATOM 863 N LYS A 59 -7.781 -7.736 -18.495 1.00 1.35 N ATOM 864 CA LYS A 59 -7.953 -6.625 -19.483 1.00 1.32 C ATOM 865 C LYS A 59 -6.631 -5.831 -19.592 1.00 1.22 C ATOM 866 O LYS A 59 -5.637 -6.191 -18.990 1.00 1.58 O ATOM 867 CB LYS A 59 -9.132 -5.782 -18.956 1.00 1.38 C ATOM 868 CG LYS A 59 -8.649 -4.399 -18.538 1.00 1.36 C ATOM 869 CD LYS A 59 -9.578 -3.822 -17.470 1.00 1.49 C ATOM 870 CE LYS A 59 -8.735 -3.162 -16.375 1.00 1.59 C ATOM 871 NZ LYS A 59 -8.112 -4.294 -15.624 1.00 1.73 N ATOM 0 H LYS A 59 -7.787 -8.668 -18.910 1.00 1.35 H new ATOM 0 HA LYS A 59 -8.176 -6.970 -20.493 1.00 1.32 H new ATOM 0 HB2 LYS A 59 -9.896 -5.690 -19.728 1.00 1.38 H new ATOM 0 HB3 LYS A 59 -9.596 -6.284 -18.107 1.00 1.38 H new ATOM 0 HG2 LYS A 59 -7.632 -4.461 -18.152 1.00 1.36 H new ATOM 0 HG3 LYS A 59 -8.621 -3.737 -19.404 1.00 1.36 H new ATOM 0 HD2 LYS A 59 -10.254 -3.092 -17.915 1.00 1.49 H new ATOM 0 HD3 LYS A 59 -10.197 -4.612 -17.044 1.00 1.49 H new ATOM 0 HE2 LYS A 59 -7.975 -2.508 -16.803 1.00 1.59 H new ATOM 0 HE3 LYS A 59 -9.352 -2.547 -15.720 1.00 1.59 H new ATOM 0 HZ1 LYS A 59 -8.550 -4.369 -14.684 1.00 1.73 H new ATOM 0 HZ2 LYS A 59 -8.260 -5.181 -16.147 1.00 1.73 H new ATOM 0 HZ3 LYS A 59 -7.092 -4.121 -15.518 1.00 1.73 H new ATOM 885 N GLU A 60 -6.602 -4.772 -20.360 1.00 0.93 N ATOM 886 CA GLU A 60 -5.335 -3.986 -20.496 1.00 0.90 C ATOM 887 C GLU A 60 -5.367 -2.749 -19.584 1.00 0.87 C ATOM 888 O GLU A 60 -6.010 -1.764 -19.898 1.00 0.96 O ATOM 889 CB GLU A 60 -5.279 -3.584 -21.974 1.00 1.02 C ATOM 890 CG GLU A 60 -4.199 -4.407 -22.689 1.00 1.21 C ATOM 891 CD GLU A 60 -4.535 -5.898 -22.599 1.00 1.29 C ATOM 892 OE1 GLU A 60 -5.354 -6.353 -23.379 1.00 1.44 O ATOM 893 OE2 GLU A 60 -3.965 -6.560 -21.748 1.00 1.54 O ATOM 0 H GLU A 60 -7.394 -4.418 -20.896 1.00 0.93 H new ATOM 0 HA GLU A 60 -4.457 -4.559 -20.200 1.00 0.90 H new ATOM 0 HB2 GLU A 60 -6.248 -3.750 -22.444 1.00 1.02 H new ATOM 0 HB3 GLU A 60 -5.060 -2.520 -22.064 1.00 1.02 H new ATOM 0 HG2 GLU A 60 -4.130 -4.103 -23.734 1.00 1.21 H new ATOM 0 HG3 GLU A 60 -3.226 -4.217 -22.237 1.00 1.21 H new ATOM 900 N PRO A 61 -4.670 -2.840 -18.471 1.00 0.89 N ATOM 901 CA PRO A 61 -4.621 -1.710 -17.503 1.00 0.98 C ATOM 902 C PRO A 61 -3.751 -0.561 -18.039 1.00 0.97 C ATOM 903 O PRO A 61 -2.736 -0.774 -18.674 1.00 1.02 O ATOM 904 CB PRO A 61 -3.993 -2.327 -16.260 1.00 1.11 C ATOM 905 CG PRO A 61 -3.196 -3.484 -16.766 1.00 1.07 C ATOM 906 CD PRO A 61 -3.877 -3.989 -18.009 1.00 0.96 C ATOM 0 HA PRO A 61 -5.603 -1.277 -17.313 1.00 0.98 H new ATOM 0 HB2 PRO A 61 -3.360 -1.609 -15.739 1.00 1.11 H new ATOM 0 HB3 PRO A 61 -4.755 -2.652 -15.552 1.00 1.11 H new ATOM 0 HG2 PRO A 61 -2.173 -3.179 -16.986 1.00 1.07 H new ATOM 0 HG3 PRO A 61 -3.139 -4.270 -16.013 1.00 1.07 H new ATOM 0 HD2 PRO A 61 -3.153 -4.303 -18.761 1.00 0.96 H new ATOM 0 HD3 PRO A 61 -4.509 -4.851 -17.796 1.00 0.96 H new ATOM 914 N PHE A 62 -4.151 0.654 -17.778 1.00 1.11 N ATOM 915 CA PHE A 62 -3.374 1.835 -18.262 1.00 1.18 C ATOM 916 C PHE A 62 -2.136 2.078 -17.391 1.00 1.18 C ATOM 917 O PHE A 62 -1.042 2.266 -17.891 1.00 1.11 O ATOM 918 CB PHE A 62 -4.347 3.016 -18.170 1.00 1.46 C ATOM 919 CG PHE A 62 -4.052 3.999 -19.274 1.00 1.64 C ATOM 920 CD1 PHE A 62 -4.367 3.678 -20.599 1.00 1.71 C ATOM 921 CD2 PHE A 62 -3.467 5.232 -18.971 1.00 2.24 C ATOM 922 CE1 PHE A 62 -4.097 4.592 -21.622 1.00 2.21 C ATOM 923 CE2 PHE A 62 -3.198 6.148 -19.995 1.00 2.67 C ATOM 924 CZ PHE A 62 -3.512 5.827 -21.321 1.00 2.60 C ATOM 0 H PHE A 62 -4.990 0.883 -17.245 1.00 1.11 H new ATOM 0 HA PHE A 62 -3.004 1.687 -19.277 1.00 1.18 H new ATOM 0 HB2 PHE A 62 -5.375 2.661 -18.250 1.00 1.46 H new ATOM 0 HB3 PHE A 62 -4.253 3.504 -17.200 1.00 1.46 H new ATOM 0 HD1 PHE A 62 -4.818 2.725 -20.831 1.00 1.71 H new ATOM 0 HD2 PHE A 62 -3.223 5.478 -17.948 1.00 2.24 H new ATOM 0 HE1 PHE A 62 -4.340 4.345 -22.645 1.00 2.21 H new ATOM 0 HE2 PHE A 62 -2.748 7.102 -19.762 1.00 2.67 H new ATOM 0 HZ PHE A 62 -3.303 6.532 -22.112 1.00 2.60 H new ATOM 934 N LEU A 63 -2.303 2.080 -16.096 1.00 1.35 N ATOM 935 CA LEU A 63 -1.137 2.319 -15.184 1.00 1.42 C ATOM 936 C LEU A 63 -0.089 1.214 -15.340 1.00 1.29 C ATOM 937 O LEU A 63 1.099 1.467 -15.262 1.00 1.26 O ATOM 938 CB LEU A 63 -1.708 2.336 -13.758 1.00 1.72 C ATOM 939 CG LEU A 63 -2.533 3.611 -13.534 1.00 1.95 C ATOM 940 CD1 LEU A 63 -3.212 3.538 -12.166 1.00 2.38 C ATOM 941 CD2 LEU A 63 -1.618 4.841 -13.570 1.00 1.84 C ATOM 0 H LEU A 63 -3.195 1.927 -15.626 1.00 1.35 H new ATOM 0 HA LEU A 63 -0.636 3.258 -15.419 1.00 1.42 H new ATOM 0 HB2 LEU A 63 -2.332 1.457 -13.598 1.00 1.72 H new ATOM 0 HB3 LEU A 63 -0.896 2.287 -13.032 1.00 1.72 H new ATOM 0 HG LEU A 63 -3.282 3.694 -14.321 1.00 1.95 H new ATOM 0 HD11 LEU A 63 -3.799 4.442 -12.003 1.00 2.38 H new ATOM 0 HD12 LEU A 63 -3.868 2.668 -12.131 1.00 2.38 H new ATOM 0 HD13 LEU A 63 -2.454 3.452 -11.388 1.00 2.38 H new ATOM 0 HD21 LEU A 63 -2.212 5.741 -13.410 1.00 1.84 H new ATOM 0 HD22 LEU A 63 -0.866 4.758 -12.785 1.00 1.84 H new ATOM 0 HD23 LEU A 63 -1.125 4.899 -14.540 1.00 1.84 H new ATOM 953 N LEU A 64 -0.507 0.002 -15.574 1.00 1.30 N ATOM 954 CA LEU A 64 0.486 -1.102 -15.746 1.00 1.34 C ATOM 955 C LEU A 64 1.395 -0.807 -16.946 1.00 1.17 C ATOM 956 O LEU A 64 2.606 -0.771 -16.819 1.00 1.22 O ATOM 957 CB LEU A 64 -0.334 -2.369 -15.989 1.00 1.45 C ATOM 958 CG LEU A 64 0.518 -3.596 -15.659 1.00 2.05 C ATOM 959 CD1 LEU A 64 -0.007 -4.250 -14.381 1.00 2.46 C ATOM 960 CD2 LEU A 64 0.445 -4.601 -16.812 1.00 2.42 C ATOM 0 H LEU A 64 -1.486 -0.274 -15.654 1.00 1.30 H new ATOM 0 HA LEU A 64 1.129 -1.210 -14.873 1.00 1.34 H new ATOM 0 HB2 LEU A 64 -1.232 -2.359 -15.371 1.00 1.45 H new ATOM 0 HB3 LEU A 64 -0.663 -2.409 -17.027 1.00 1.45 H new ATOM 0 HG LEU A 64 1.553 -3.288 -15.514 1.00 2.05 H new ATOM 0 HD11 LEU A 64 0.599 -5.125 -14.144 1.00 2.46 H new ATOM 0 HD12 LEU A 64 0.048 -3.537 -13.558 1.00 2.46 H new ATOM 0 HD13 LEU A 64 -1.043 -4.555 -14.528 1.00 2.46 H new ATOM 0 HD21 LEU A 64 1.053 -5.474 -16.573 1.00 2.42 H new ATOM 0 HD22 LEU A 64 -0.590 -4.910 -16.961 1.00 2.42 H new ATOM 0 HD23 LEU A 64 0.820 -4.136 -17.724 1.00 2.42 H new ATOM 972 N VAL A 65 0.828 -0.588 -18.110 1.00 1.05 N ATOM 973 CA VAL A 65 1.671 -0.293 -19.304 1.00 1.06 C ATOM 974 C VAL A 65 2.330 1.082 -19.157 1.00 0.97 C ATOM 975 O VAL A 65 3.450 1.289 -19.591 1.00 1.04 O ATOM 976 CB VAL A 65 0.727 -0.354 -20.515 1.00 1.11 C ATOM 977 CG1 VAL A 65 0.128 -1.760 -20.627 1.00 1.28 C ATOM 978 CG2 VAL A 65 -0.410 0.665 -20.372 1.00 1.04 C ATOM 0 H VAL A 65 -0.178 -0.602 -18.280 1.00 1.05 H new ATOM 0 HA VAL A 65 2.484 -1.009 -19.422 1.00 1.06 H new ATOM 0 HB VAL A 65 1.301 -0.118 -21.411 1.00 1.11 H new ATOM 0 HG11 VAL A 65 -0.542 -1.803 -21.486 1.00 1.28 H new ATOM 0 HG12 VAL A 65 0.929 -2.488 -20.755 1.00 1.28 H new ATOM 0 HG13 VAL A 65 -0.430 -1.991 -19.720 1.00 1.28 H new ATOM 0 HG21 VAL A 65 -1.065 0.603 -21.241 1.00 1.04 H new ATOM 0 HG22 VAL A 65 -0.982 0.448 -19.470 1.00 1.04 H new ATOM 0 HG23 VAL A 65 0.008 1.669 -20.303 1.00 1.04 H new ATOM 988 N GLN A 66 1.664 2.016 -18.517 1.00 0.94 N ATOM 989 CA GLN A 66 2.284 3.362 -18.315 1.00 1.00 C ATOM 990 C GLN A 66 3.551 3.202 -17.474 1.00 0.98 C ATOM 991 O GLN A 66 4.620 3.610 -17.873 1.00 0.98 O ATOM 992 CB GLN A 66 1.235 4.209 -17.584 1.00 1.17 C ATOM 993 CG GLN A 66 0.404 4.998 -18.604 1.00 1.36 C ATOM 994 CD GLN A 66 0.939 6.429 -18.735 1.00 1.23 C ATOM 995 OE1 GLN A 66 2.126 6.649 -18.919 1.00 1.76 O ATOM 996 NE2 GLN A 66 0.102 7.424 -18.656 1.00 1.74 N ATOM 0 H GLN A 66 0.727 1.904 -18.130 1.00 0.94 H new ATOM 0 HA GLN A 66 2.568 3.838 -19.253 1.00 1.00 H new ATOM 0 HB2 GLN A 66 0.585 3.567 -16.990 1.00 1.17 H new ATOM 0 HB3 GLN A 66 1.725 4.894 -16.892 1.00 1.17 H new ATOM 0 HG2 GLN A 66 0.437 4.500 -19.573 1.00 1.36 H new ATOM 0 HG3 GLN A 66 -0.640 5.020 -18.293 1.00 1.36 H new ATOM 0 HE21 GLN A 66 -0.890 7.245 -18.502 1.00 1.74 H new ATOM 0 HE22 GLN A 66 0.439 8.382 -18.748 1.00 1.74 H new ATOM 1005 N TYR A 67 3.446 2.574 -16.334 1.00 1.05 N ATOM 1006 CA TYR A 67 4.661 2.353 -15.485 1.00 1.14 C ATOM 1007 C TYR A 67 5.654 1.465 -16.241 1.00 1.11 C ATOM 1008 O TYR A 67 6.846 1.714 -16.247 1.00 1.13 O ATOM 1009 CB TYR A 67 4.153 1.655 -14.218 1.00 1.39 C ATOM 1010 CG TYR A 67 5.079 1.960 -13.061 1.00 1.76 C ATOM 1011 CD1 TYR A 67 4.873 3.106 -12.284 1.00 2.13 C ATOM 1012 CD2 TYR A 67 6.143 1.098 -12.767 1.00 2.18 C ATOM 1013 CE1 TYR A 67 5.729 3.389 -11.212 1.00 2.68 C ATOM 1014 CE2 TYR A 67 6.998 1.383 -11.694 1.00 2.69 C ATOM 1015 CZ TYR A 67 6.790 2.527 -10.919 1.00 2.86 C ATOM 1016 OH TYR A 67 7.635 2.807 -9.864 1.00 3.48 O ATOM 0 H TYR A 67 2.576 2.204 -15.951 1.00 1.05 H new ATOM 0 HA TYR A 67 5.177 3.281 -15.241 1.00 1.14 H new ATOM 0 HB2 TYR A 67 3.143 1.992 -13.986 1.00 1.39 H new ATOM 0 HB3 TYR A 67 4.101 0.578 -14.380 1.00 1.39 H new ATOM 0 HD1 TYR A 67 4.054 3.772 -12.511 1.00 2.13 H new ATOM 0 HD2 TYR A 67 6.304 0.214 -13.367 1.00 2.18 H new ATOM 0 HE1 TYR A 67 5.569 4.273 -10.612 1.00 2.68 H new ATOM 0 HE2 TYR A 67 7.818 0.718 -11.466 1.00 2.69 H new ATOM 0 HH TYR A 67 8.318 2.107 -9.797 1.00 3.48 H new ATOM 1026 N SER A 68 5.155 0.445 -16.893 1.00 1.14 N ATOM 1027 CA SER A 68 6.042 -0.476 -17.681 1.00 1.30 C ATOM 1028 C SER A 68 6.854 0.310 -18.718 1.00 1.25 C ATOM 1029 O SER A 68 7.986 -0.022 -19.000 1.00 1.40 O ATOM 1030 CB SER A 68 5.102 -1.456 -18.391 1.00 1.43 C ATOM 1031 OG SER A 68 4.382 -2.213 -17.424 1.00 1.61 O ATOM 0 H SER A 68 4.164 0.206 -16.915 1.00 1.14 H new ATOM 0 HA SER A 68 6.753 -0.988 -17.033 1.00 1.30 H new ATOM 0 HB2 SER A 68 4.408 -0.911 -19.031 1.00 1.43 H new ATOM 0 HB3 SER A 68 5.675 -2.122 -19.036 1.00 1.43 H new ATOM 0 HG SER A 68 3.494 -1.818 -17.294 1.00 1.61 H new ATOM 1037 N ALA A 69 6.287 1.344 -19.292 1.00 1.13 N ATOM 1038 CA ALA A 69 7.039 2.144 -20.309 1.00 1.23 C ATOM 1039 C ALA A 69 7.788 3.307 -19.642 1.00 1.18 C ATOM 1040 O ALA A 69 8.918 3.606 -19.982 1.00 1.26 O ATOM 1041 CB ALA A 69 5.969 2.670 -21.270 1.00 1.31 C ATOM 0 H ALA A 69 5.339 1.668 -19.101 1.00 1.13 H new ATOM 0 HA ALA A 69 7.792 1.546 -20.822 1.00 1.23 H new ATOM 0 HB1 ALA A 69 6.442 3.269 -22.048 1.00 1.31 H new ATOM 0 HB2 ALA A 69 5.445 1.830 -21.726 1.00 1.31 H new ATOM 0 HB3 ALA A 69 5.257 3.286 -20.720 1.00 1.31 H new ATOM 1047 N LYS A 70 7.164 3.957 -18.699 1.00 1.14 N ATOM 1048 CA LYS A 70 7.825 5.109 -17.999 1.00 1.19 C ATOM 1049 C LYS A 70 9.049 4.635 -17.212 1.00 1.08 C ATOM 1050 O LYS A 70 10.096 5.253 -17.249 1.00 1.10 O ATOM 1051 CB LYS A 70 6.769 5.675 -17.040 1.00 1.33 C ATOM 1052 CG LYS A 70 5.571 6.215 -17.827 1.00 1.49 C ATOM 1053 CD LYS A 70 5.939 7.537 -18.508 1.00 1.77 C ATOM 1054 CE LYS A 70 5.391 7.539 -19.938 1.00 2.16 C ATOM 1055 NZ LYS A 70 4.082 8.256 -19.856 1.00 2.88 N ATOM 0 H LYS A 70 6.220 3.743 -18.377 1.00 1.14 H new ATOM 0 HA LYS A 70 8.173 5.858 -18.711 1.00 1.19 H new ATOM 0 HB2 LYS A 70 6.439 4.897 -16.351 1.00 1.33 H new ATOM 0 HB3 LYS A 70 7.205 6.471 -16.437 1.00 1.33 H new ATOM 0 HG2 LYS A 70 5.260 5.486 -18.575 1.00 1.49 H new ATOM 0 HG3 LYS A 70 4.724 6.366 -17.157 1.00 1.49 H new ATOM 0 HD2 LYS A 70 5.526 8.376 -17.947 1.00 1.77 H new ATOM 0 HD3 LYS A 70 7.022 7.664 -18.521 1.00 1.77 H new ATOM 0 HE2 LYS A 70 6.074 8.044 -20.621 1.00 2.16 H new ATOM 0 HE3 LYS A 70 5.261 6.523 -20.311 1.00 2.16 H new ATOM 0 HZ1 LYS A 70 3.713 8.415 -20.815 1.00 2.88 H new ATOM 0 HZ2 LYS A 70 3.405 7.681 -19.315 1.00 2.88 H new ATOM 0 HZ3 LYS A 70 4.217 9.171 -19.380 1.00 2.88 H new ATOM 1069 N GLY A 71 8.913 3.547 -16.500 1.00 1.04 N ATOM 1070 CA GLY A 71 10.054 3.002 -15.689 1.00 1.03 C ATOM 1071 C GLY A 71 11.341 2.980 -16.522 1.00 1.00 C ATOM 1072 O GLY A 71 12.292 3.671 -16.202 1.00 0.98 O ATOM 0 H GLY A 71 8.052 3.003 -16.442 1.00 1.04 H new ATOM 0 HA2 GLY A 71 10.200 3.614 -14.799 1.00 1.03 H new ATOM 0 HA3 GLY A 71 9.817 1.994 -15.348 1.00 1.03 H new ATOM 1076 N PRO A 72 11.331 2.195 -17.576 1.00 1.09 N ATOM 1077 CA PRO A 72 12.519 2.100 -18.464 1.00 1.20 C ATOM 1078 C PRO A 72 12.771 3.437 -19.176 1.00 1.22 C ATOM 1079 O PRO A 72 13.905 3.847 -19.335 1.00 1.27 O ATOM 1080 CB PRO A 72 12.147 0.992 -19.448 1.00 1.39 C ATOM 1081 CG PRO A 72 10.654 0.969 -19.442 1.00 1.34 C ATOM 1082 CD PRO A 72 10.234 1.339 -18.045 1.00 1.18 C ATOM 0 HA PRO A 72 13.442 1.880 -17.928 1.00 1.20 H new ATOM 0 HB2 PRO A 72 12.536 1.200 -20.445 1.00 1.39 H new ATOM 0 HB3 PRO A 72 12.560 0.032 -19.138 1.00 1.39 H new ATOM 0 HG2 PRO A 72 10.251 1.674 -20.169 1.00 1.34 H new ATOM 0 HG3 PRO A 72 10.279 -0.018 -19.713 1.00 1.34 H new ATOM 0 HD2 PRO A 72 9.281 1.868 -18.039 1.00 1.18 H new ATOM 0 HD3 PRO A 72 10.114 0.458 -17.415 1.00 1.18 H new ATOM 1090 N CYS A 73 11.735 4.135 -19.584 1.00 1.24 N ATOM 1091 CA CYS A 73 11.952 5.455 -20.258 1.00 1.39 C ATOM 1092 C CYS A 73 12.676 6.407 -19.298 1.00 1.32 C ATOM 1093 O CYS A 73 13.615 7.090 -19.668 1.00 1.41 O ATOM 1094 CB CYS A 73 10.554 5.978 -20.608 1.00 1.47 C ATOM 1095 SG CYS A 73 10.700 7.318 -21.819 1.00 1.54 S ATOM 0 H CYS A 73 10.761 3.851 -19.481 1.00 1.24 H new ATOM 0 HA CYS A 73 12.569 5.370 -21.153 1.00 1.39 H new ATOM 0 HB2 CYS A 73 9.943 5.172 -21.013 1.00 1.47 H new ATOM 0 HB3 CYS A 73 10.053 6.338 -19.710 1.00 1.47 H new ATOM 0 HG CYS A 73 9.516 7.762 -22.119 1.00 1.54 H new ATOM 1101 N VAL A 74 12.264 6.428 -18.060 1.00 1.20 N ATOM 1102 CA VAL A 74 12.936 7.309 -17.055 1.00 1.20 C ATOM 1103 C VAL A 74 14.290 6.709 -16.680 1.00 1.09 C ATOM 1104 O VAL A 74 15.288 7.406 -16.601 1.00 1.18 O ATOM 1105 CB VAL A 74 11.991 7.359 -15.849 1.00 1.20 C ATOM 1106 CG1 VAL A 74 12.692 8.035 -14.665 1.00 1.29 C ATOM 1107 CG2 VAL A 74 10.740 8.164 -16.215 1.00 1.40 C ATOM 0 H VAL A 74 11.489 5.873 -17.697 1.00 1.20 H new ATOM 0 HA VAL A 74 13.126 8.312 -17.436 1.00 1.20 H new ATOM 0 HB VAL A 74 11.711 6.342 -15.573 1.00 1.20 H new ATOM 0 HG11 VAL A 74 12.015 8.067 -13.811 1.00 1.29 H new ATOM 0 HG12 VAL A 74 13.585 7.469 -14.399 1.00 1.29 H new ATOM 0 HG13 VAL A 74 12.976 9.050 -14.942 1.00 1.29 H new ATOM 0 HG21 VAL A 74 10.067 8.200 -15.358 1.00 1.40 H new ATOM 0 HG22 VAL A 74 11.028 9.178 -16.493 1.00 1.40 H new ATOM 0 HG23 VAL A 74 10.233 7.688 -17.054 1.00 1.40 H new ATOM 1117 N GLU A 75 14.337 5.416 -16.479 1.00 0.98 N ATOM 1118 CA GLU A 75 15.635 4.755 -16.146 1.00 0.96 C ATOM 1119 C GLU A 75 16.646 5.080 -17.244 1.00 1.08 C ATOM 1120 O GLU A 75 17.775 5.441 -16.981 1.00 1.10 O ATOM 1121 CB GLU A 75 15.336 3.251 -16.108 1.00 1.02 C ATOM 1122 CG GLU A 75 16.490 2.507 -15.416 1.00 1.10 C ATOM 1123 CD GLU A 75 17.357 1.776 -16.450 1.00 1.27 C ATOM 1124 OE1 GLU A 75 16.808 1.213 -17.386 1.00 1.50 O ATOM 1125 OE2 GLU A 75 18.566 1.785 -16.287 1.00 1.32 O ATOM 0 H GLU A 75 13.533 4.790 -16.531 1.00 0.98 H new ATOM 0 HA GLU A 75 16.051 5.092 -15.197 1.00 0.96 H new ATOM 0 HB2 GLU A 75 14.403 3.070 -15.574 1.00 1.02 H new ATOM 0 HB3 GLU A 75 15.203 2.872 -17.121 1.00 1.02 H new ATOM 0 HG2 GLU A 75 17.101 3.214 -14.855 1.00 1.10 H new ATOM 0 HG3 GLU A 75 16.090 1.792 -14.698 1.00 1.10 H new ATOM 1132 N ARG A 76 16.223 4.984 -18.474 1.00 1.22 N ATOM 1133 CA ARG A 76 17.128 5.307 -19.615 1.00 1.45 C ATOM 1134 C ARG A 76 17.460 6.803 -19.607 1.00 1.51 C ATOM 1135 O ARG A 76 18.592 7.194 -19.822 1.00 1.60 O ATOM 1136 CB ARG A 76 16.346 4.923 -20.874 1.00 1.65 C ATOM 1137 CG ARG A 76 16.796 3.539 -21.347 1.00 1.81 C ATOM 1138 CD ARG A 76 16.403 2.484 -20.308 1.00 1.66 C ATOM 1139 NE ARG A 76 17.097 1.237 -20.745 1.00 1.88 N ATOM 1140 CZ ARG A 76 18.335 1.028 -20.420 1.00 1.96 C ATOM 1141 NH1 ARG A 76 18.652 0.788 -19.189 1.00 1.86 N ATOM 1142 NH2 ARG A 76 19.256 1.067 -21.325 1.00 2.23 N ATOM 0 H ARG A 76 15.282 4.694 -18.740 1.00 1.22 H new ATOM 0 HA ARG A 76 18.076 4.772 -19.560 1.00 1.45 H new ATOM 0 HB2 ARG A 76 15.276 4.918 -20.664 1.00 1.65 H new ATOM 0 HB3 ARG A 76 16.514 5.660 -21.659 1.00 1.65 H new ATOM 0 HG2 ARG A 76 16.337 3.306 -22.308 1.00 1.81 H new ATOM 0 HG3 ARG A 76 17.875 3.529 -21.499 1.00 1.81 H new ATOM 0 HD2 ARG A 76 16.716 2.780 -19.307 1.00 1.66 H new ATOM 0 HD3 ARG A 76 15.322 2.344 -20.276 1.00 1.66 H new ATOM 0 HE ARG A 76 16.595 0.546 -21.302 1.00 1.88 H new ATOM 0 HH11 ARG A 76 17.928 0.763 -18.471 1.00 1.86 H new ATOM 0 HH12 ARG A 76 19.626 0.624 -18.936 1.00 1.86 H new ATOM 0 HH21 ARG A 76 19.010 1.262 -22.295 1.00 2.23 H new ATOM 0 HH22 ARG A 76 20.230 0.903 -21.069 1.00 2.23 H new ATOM 1156 N LYS A 77 16.485 7.641 -19.343 1.00 1.51 N ATOM 1157 CA LYS A 77 16.753 9.112 -19.302 1.00 1.66 C ATOM 1158 C LYS A 77 17.807 9.426 -18.233 1.00 1.55 C ATOM 1159 O LYS A 77 18.783 10.107 -18.487 1.00 1.66 O ATOM 1160 CB LYS A 77 15.410 9.759 -18.940 1.00 1.71 C ATOM 1161 CG LYS A 77 14.550 9.913 -20.200 1.00 1.95 C ATOM 1162 CD LYS A 77 14.264 11.397 -20.445 1.00 2.24 C ATOM 1163 CE LYS A 77 14.446 11.715 -21.931 1.00 2.94 C ATOM 1164 NZ LYS A 77 14.740 13.179 -21.982 1.00 3.32 N ATOM 0 H LYS A 77 15.520 7.370 -19.155 1.00 1.51 H new ATOM 0 HA LYS A 77 17.138 9.486 -20.251 1.00 1.66 H new ATOM 0 HB2 LYS A 77 14.888 9.147 -18.205 1.00 1.71 H new ATOM 0 HB3 LYS A 77 15.577 10.734 -18.482 1.00 1.71 H new ATOM 0 HG2 LYS A 77 15.065 9.484 -21.060 1.00 1.95 H new ATOM 0 HG3 LYS A 77 13.615 9.366 -20.084 1.00 1.95 H new ATOM 0 HD2 LYS A 77 13.248 11.639 -20.133 1.00 2.24 H new ATOM 0 HD3 LYS A 77 14.936 12.011 -19.846 1.00 2.24 H new ATOM 0 HE2 LYS A 77 15.261 11.134 -22.362 1.00 2.94 H new ATOM 0 HE3 LYS A 77 13.548 11.473 -22.499 1.00 2.94 H new ATOM 0 HZ1 LYS A 77 14.877 13.471 -22.971 1.00 3.32 H new ATOM 0 HZ2 LYS A 77 13.944 13.707 -21.572 1.00 3.32 H new ATOM 0 HZ3 LYS A 77 15.604 13.379 -21.439 1.00 3.32 H new ATOM 1178 N ALA A 78 17.614 8.923 -17.043 1.00 1.37 N ATOM 1179 CA ALA A 78 18.596 9.177 -15.940 1.00 1.30 C ATOM 1180 C ALA A 78 19.955 8.549 -16.271 1.00 1.28 C ATOM 1181 O ALA A 78 20.998 9.162 -16.089 1.00 1.36 O ATOM 1182 CB ALA A 78 17.980 8.529 -14.696 1.00 1.16 C ATOM 0 H ALA A 78 16.816 8.344 -16.783 1.00 1.37 H new ATOM 0 HA ALA A 78 18.778 10.241 -15.791 1.00 1.30 H new ATOM 0 HB1 ALA A 78 18.644 8.674 -13.844 1.00 1.16 H new ATOM 0 HB2 ALA A 78 17.015 8.989 -14.486 1.00 1.16 H new ATOM 0 HB3 ALA A 78 17.843 7.462 -14.872 1.00 1.16 H new ATOM 1188 N LYS A 79 19.951 7.339 -16.762 1.00 1.23 N ATOM 1189 CA LYS A 79 21.239 6.663 -17.121 1.00 1.32 C ATOM 1190 C LYS A 79 21.908 7.389 -18.301 1.00 1.56 C ATOM 1191 O LYS A 79 23.118 7.454 -18.388 1.00 1.66 O ATOM 1192 CB LYS A 79 20.862 5.229 -17.522 1.00 1.37 C ATOM 1193 CG LYS A 79 20.258 4.480 -16.324 1.00 1.20 C ATOM 1194 CD LYS A 79 21.307 3.563 -15.679 1.00 1.25 C ATOM 1195 CE LYS A 79 21.776 2.505 -16.685 1.00 1.45 C ATOM 1196 NZ LYS A 79 20.966 1.288 -16.382 1.00 1.49 N ATOM 0 H LYS A 79 19.111 6.785 -16.932 1.00 1.23 H new ATOM 0 HA LYS A 79 21.945 6.674 -16.291 1.00 1.32 H new ATOM 0 HB2 LYS A 79 20.147 5.250 -18.344 1.00 1.37 H new ATOM 0 HB3 LYS A 79 21.745 4.701 -17.882 1.00 1.37 H new ATOM 0 HG2 LYS A 79 19.890 5.195 -15.588 1.00 1.20 H new ATOM 0 HG3 LYS A 79 19.402 3.890 -16.651 1.00 1.20 H new ATOM 0 HD2 LYS A 79 22.157 4.154 -15.339 1.00 1.25 H new ATOM 0 HD3 LYS A 79 20.884 3.077 -14.800 1.00 1.25 H new ATOM 0 HE2 LYS A 79 21.616 2.839 -17.710 1.00 1.45 H new ATOM 0 HE3 LYS A 79 22.842 2.305 -16.577 1.00 1.45 H new ATOM 0 HZ1 LYS A 79 21.257 0.512 -17.010 1.00 1.49 H new ATOM 0 HZ2 LYS A 79 21.117 1.008 -15.392 1.00 1.49 H new ATOM 0 HZ3 LYS A 79 19.958 1.495 -16.533 1.00 1.49 H new ATOM 1210 N LEU A 80 21.129 7.932 -19.212 1.00 1.69 N ATOM 1211 CA LEU A 80 21.721 8.648 -20.384 1.00 1.98 C ATOM 1212 C LEU A 80 22.238 10.040 -19.980 1.00 2.00 C ATOM 1213 O LEU A 80 23.226 10.518 -20.505 1.00 2.18 O ATOM 1214 CB LEU A 80 20.583 8.764 -21.404 1.00 2.17 C ATOM 1215 CG LEU A 80 21.096 9.482 -22.657 1.00 2.52 C ATOM 1216 CD1 LEU A 80 21.105 8.517 -23.842 1.00 2.80 C ATOM 1217 CD2 LEU A 80 20.189 10.669 -22.981 1.00 2.76 C ATOM 0 H LEU A 80 20.109 7.908 -19.191 1.00 1.69 H new ATOM 0 HA LEU A 80 22.579 8.112 -20.791 1.00 1.98 H new ATOM 0 HB2 LEU A 80 20.211 7.773 -21.665 1.00 2.17 H new ATOM 0 HB3 LEU A 80 19.747 9.314 -20.972 1.00 2.17 H new ATOM 0 HG LEU A 80 22.109 9.837 -22.470 1.00 2.52 H new ATOM 0 HD11 LEU A 80 21.471 9.034 -24.729 1.00 2.80 H new ATOM 0 HD12 LEU A 80 21.758 7.673 -23.619 1.00 2.80 H new ATOM 0 HD13 LEU A 80 20.093 8.155 -24.024 1.00 2.80 H new ATOM 0 HD21 LEU A 80 20.558 11.176 -23.873 1.00 2.76 H new ATOM 0 HD22 LEU A 80 19.174 10.313 -23.160 1.00 2.76 H new ATOM 0 HD23 LEU A 80 20.187 11.365 -22.142 1.00 2.76 H new ATOM 1229 N MET A 81 21.578 10.687 -19.059 1.00 1.89 N ATOM 1230 CA MET A 81 22.031 12.049 -18.614 1.00 2.00 C ATOM 1231 C MET A 81 23.179 11.926 -17.599 1.00 1.86 C ATOM 1232 O MET A 81 24.124 12.691 -17.627 1.00 2.04 O ATOM 1233 CB MET A 81 20.800 12.695 -17.965 1.00 2.01 C ATOM 1234 CG MET A 81 20.594 14.102 -18.536 1.00 2.10 C ATOM 1235 SD MET A 81 18.822 14.402 -18.783 1.00 2.50 S ATOM 1236 CE MET A 81 18.448 14.989 -17.113 1.00 3.14 C ATOM 0 H MET A 81 20.742 10.336 -18.591 1.00 1.89 H new ATOM 0 HA MET A 81 22.408 12.646 -19.445 1.00 2.00 H new ATOM 0 HB2 MET A 81 19.917 12.084 -18.150 1.00 2.01 H new ATOM 0 HB3 MET A 81 20.931 12.746 -16.884 1.00 2.01 H new ATOM 0 HG2 MET A 81 21.008 14.846 -17.856 1.00 2.10 H new ATOM 0 HG3 MET A 81 21.126 14.204 -19.482 1.00 2.10 H new ATOM 0 HE1 MET A 81 17.388 15.235 -17.042 1.00 3.14 H new ATOM 0 HE2 MET A 81 18.688 14.209 -16.391 1.00 3.14 H new ATOM 0 HE3 MET A 81 19.042 15.878 -16.898 1.00 3.14 H new ATOM 1246 N THR A 82 23.103 10.969 -16.707 1.00 1.58 N ATOM 1247 CA THR A 82 24.197 10.789 -15.693 1.00 1.49 C ATOM 1248 C THR A 82 25.254 9.810 -16.229 1.00 1.48 C ATOM 1249 O THR A 82 25.071 9.218 -17.274 1.00 1.57 O ATOM 1250 CB THR A 82 23.518 10.202 -14.443 1.00 1.31 C ATOM 1251 OG1 THR A 82 23.036 8.893 -14.727 1.00 1.19 O ATOM 1252 CG2 THR A 82 22.355 11.093 -14.009 1.00 1.44 C ATOM 0 H THR A 82 22.333 10.304 -16.634 1.00 1.58 H new ATOM 0 HA THR A 82 24.701 11.730 -15.472 1.00 1.49 H new ATOM 0 HB THR A 82 24.249 10.152 -13.636 1.00 1.31 H new ATOM 0 HG1 THR A 82 22.114 8.948 -15.053 1.00 1.19 H new ATOM 0 HG21 THR A 82 21.882 10.668 -13.124 1.00 1.44 H new ATOM 0 HG22 THR A 82 22.728 12.091 -13.778 1.00 1.44 H new ATOM 0 HG23 THR A 82 21.625 11.157 -14.816 1.00 1.44 H new ATOM 1260 N PRO A 83 26.331 9.651 -15.489 1.00 1.47 N ATOM 1261 CA PRO A 83 27.398 8.710 -15.914 1.00 1.55 C ATOM 1262 C PRO A 83 27.011 7.251 -15.634 1.00 1.46 C ATOM 1263 O PRO A 83 27.824 6.356 -15.780 1.00 1.59 O ATOM 1264 CB PRO A 83 28.589 9.100 -15.065 1.00 1.59 C ATOM 1265 CG PRO A 83 28.011 9.753 -13.845 1.00 1.49 C ATOM 1266 CD PRO A 83 26.661 10.316 -14.221 1.00 1.48 C ATOM 0 HA PRO A 83 27.589 8.771 -16.985 1.00 1.55 H new ATOM 0 HB2 PRO A 83 29.184 8.227 -14.799 1.00 1.59 H new ATOM 0 HB3 PRO A 83 29.247 9.783 -15.602 1.00 1.59 H new ATOM 0 HG2 PRO A 83 27.912 9.030 -13.035 1.00 1.49 H new ATOM 0 HG3 PRO A 83 28.669 10.545 -13.487 1.00 1.49 H new ATOM 0 HD2 PRO A 83 25.915 10.105 -13.455 1.00 1.48 H new ATOM 0 HD3 PRO A 83 26.700 11.399 -14.338 1.00 1.48 H new ATOM 1274 N ASN A 84 25.786 6.991 -15.250 1.00 1.32 N ATOM 1275 CA ASN A 84 25.370 5.584 -14.987 1.00 1.34 C ATOM 1276 C ASN A 84 25.150 4.865 -16.328 1.00 1.50 C ATOM 1277 O ASN A 84 24.115 4.264 -16.566 1.00 1.53 O ATOM 1278 CB ASN A 84 24.062 5.703 -14.192 1.00 1.24 C ATOM 1279 CG ASN A 84 24.220 5.016 -12.836 1.00 1.43 C ATOM 1280 OD1 ASN A 84 24.357 5.669 -11.823 1.00 2.01 O ATOM 1281 ND2 ASN A 84 24.211 3.715 -12.773 1.00 1.65 N ATOM 0 H ASN A 84 25.059 7.692 -15.108 1.00 1.32 H new ATOM 0 HA ASN A 84 26.114 5.009 -14.436 1.00 1.34 H new ATOM 0 HB2 ASN A 84 23.805 6.753 -14.051 1.00 1.24 H new ATOM 0 HB3 ASN A 84 23.244 5.246 -14.749 1.00 1.24 H new ATOM 0 HD21 ASN A 84 24.319 3.247 -11.873 1.00 1.65 H new ATOM 0 HD22 ASN A 84 24.096 3.164 -13.624 1.00 1.65 H new ATOM 1288 N GLY A 85 26.118 4.944 -17.211 1.00 1.69 N ATOM 1289 CA GLY A 85 25.979 4.291 -18.550 1.00 1.94 C ATOM 1290 C GLY A 85 26.289 2.789 -18.457 1.00 2.06 C ATOM 1291 O GLY A 85 26.080 2.169 -17.424 1.00 1.97 O ATOM 0 H GLY A 85 27.000 5.434 -17.060 1.00 1.69 H new ATOM 0 HA2 GLY A 85 24.967 4.436 -18.927 1.00 1.94 H new ATOM 0 HA3 GLY A 85 26.655 4.763 -19.262 1.00 1.94 H new ATOM 1295 N PRO A 86 26.786 2.249 -19.550 1.00 2.37 N ATOM 1296 CA PRO A 86 27.132 0.801 -19.604 1.00 2.56 C ATOM 1297 C PRO A 86 28.343 0.486 -18.717 1.00 2.66 C ATOM 1298 O PRO A 86 28.584 -0.656 -18.371 1.00 2.76 O ATOM 1299 CB PRO A 86 27.443 0.558 -21.079 1.00 2.89 C ATOM 1300 CG PRO A 86 27.842 1.896 -21.613 1.00 2.96 C ATOM 1301 CD PRO A 86 27.072 2.924 -20.826 1.00 2.65 C ATOM 0 HA PRO A 86 26.331 0.161 -19.234 1.00 2.56 H new ATOM 0 HB2 PRO A 86 28.245 -0.170 -21.199 1.00 2.89 H new ATOM 0 HB3 PRO A 86 26.574 0.165 -21.607 1.00 2.89 H new ATOM 0 HG2 PRO A 86 28.916 2.051 -21.506 1.00 2.96 H new ATOM 0 HG3 PRO A 86 27.614 1.972 -22.676 1.00 2.96 H new ATOM 0 HD2 PRO A 86 27.656 3.832 -20.676 1.00 2.65 H new ATOM 0 HD3 PRO A 86 26.155 3.215 -21.338 1.00 2.65 H new ATOM 1309 N GLU A 87 29.091 1.486 -18.325 1.00 2.72 N ATOM 1310 CA GLU A 87 30.266 1.234 -17.430 1.00 2.90 C ATOM 1311 C GLU A 87 29.753 0.686 -16.089 1.00 2.76 C ATOM 1312 O GLU A 87 30.392 -0.128 -15.449 1.00 2.91 O ATOM 1313 CB GLU A 87 30.970 2.588 -17.246 1.00 3.02 C ATOM 1314 CG GLU A 87 31.167 3.285 -18.606 1.00 3.93 C ATOM 1315 CD GLU A 87 30.170 4.437 -18.735 1.00 4.18 C ATOM 1316 OE1 GLU A 87 29.015 4.154 -18.986 1.00 4.34 O ATOM 1317 OE2 GLU A 87 30.573 5.579 -18.569 1.00 4.56 O ATOM 0 H GLU A 87 28.942 2.462 -18.583 1.00 2.72 H new ATOM 0 HA GLU A 87 30.961 0.505 -17.846 1.00 2.90 H new ATOM 0 HB2 GLU A 87 30.380 3.225 -16.587 1.00 3.02 H new ATOM 0 HB3 GLU A 87 31.936 2.439 -16.764 1.00 3.02 H new ATOM 0 HG2 GLU A 87 32.187 3.661 -18.690 1.00 3.93 H new ATOM 0 HG3 GLU A 87 31.022 2.571 -19.417 1.00 3.93 H new ATOM 1324 N VAL A 88 28.578 1.114 -15.682 1.00 2.55 N ATOM 1325 CA VAL A 88 27.973 0.614 -14.412 1.00 2.54 C ATOM 1326 C VAL A 88 26.875 -0.419 -14.728 1.00 2.47 C ATOM 1327 O VAL A 88 26.654 -1.345 -13.971 1.00 2.61 O ATOM 1328 CB VAL A 88 27.368 1.852 -13.738 1.00 2.52 C ATOM 1329 CG1 VAL A 88 26.772 1.461 -12.384 1.00 2.72 C ATOM 1330 CG2 VAL A 88 28.458 2.904 -13.521 1.00 2.82 C ATOM 0 H VAL A 88 28.010 1.796 -16.185 1.00 2.55 H new ATOM 0 HA VAL A 88 28.704 0.123 -13.770 1.00 2.54 H new ATOM 0 HB VAL A 88 26.586 2.261 -14.378 1.00 2.52 H new ATOM 0 HG11 VAL A 88 26.343 2.342 -11.907 1.00 2.72 H new ATOM 0 HG12 VAL A 88 25.993 0.713 -12.532 1.00 2.72 H new ATOM 0 HG13 VAL A 88 27.555 1.049 -11.747 1.00 2.72 H new ATOM 0 HG21 VAL A 88 28.026 3.782 -13.042 1.00 2.82 H new ATOM 0 HG22 VAL A 88 29.240 2.491 -12.884 1.00 2.82 H new ATOM 0 HG23 VAL A 88 28.886 3.188 -14.482 1.00 2.82 H new ATOM 1340 N HIS A 89 26.184 -0.270 -15.843 1.00 2.35 N ATOM 1341 CA HIS A 89 25.106 -1.252 -16.199 1.00 2.40 C ATOM 1342 C HIS A 89 24.605 -1.041 -17.639 1.00 2.32 C ATOM 1343 O HIS A 89 24.644 -1.942 -18.452 1.00 2.48 O ATOM 1344 CB HIS A 89 23.970 -0.991 -15.199 1.00 2.47 C ATOM 1345 CG HIS A 89 22.896 -2.034 -15.367 1.00 2.61 C ATOM 1346 ND1 HIS A 89 22.040 -2.053 -16.460 1.00 2.50 N ATOM 1347 CD2 HIS A 89 22.526 -3.100 -14.586 1.00 3.00 C ATOM 1348 CE1 HIS A 89 21.208 -3.097 -16.305 1.00 2.79 C ATOM 1349 NE2 HIS A 89 21.460 -3.769 -15.179 1.00 3.11 N ATOM 0 H HIS A 89 26.321 0.485 -16.515 1.00 2.35 H new ATOM 0 HA HIS A 89 25.476 -2.276 -16.149 1.00 2.40 H new ATOM 0 HB2 HIS A 89 24.357 -1.014 -14.180 1.00 2.47 H new ATOM 0 HB3 HIS A 89 23.553 0.003 -15.359 1.00 2.47 H new ATOM 0 HD1 HIS A 89 22.042 -1.394 -17.239 1.00 2.50 H new ATOM 0 HD2 HIS A 89 22.992 -3.378 -13.652 1.00 3.00 H new ATOM 0 HE1 HIS A 89 20.430 -3.360 -17.006 1.00 2.79 H new ATOM 1357 N GLY A 90 24.121 0.136 -17.948 1.00 2.21 N ATOM 1358 CA GLY A 90 23.598 0.403 -19.326 1.00 2.23 C ATOM 1359 C GLY A 90 22.069 0.234 -19.356 1.00 2.13 C ATOM 1360 O GLY A 90 21.498 -0.161 -18.345 1.00 1.97 O ATOM 1361 OXT GLY A 90 21.488 0.507 -20.391 1.00 2.36 O ATOM 0 H GLY A 90 24.065 0.926 -17.305 1.00 2.21 H new ATOM 0 HA2 GLY A 90 23.866 1.413 -19.635 1.00 2.23 H new ATOM 0 HA3 GLY A 90 24.061 -0.281 -20.037 1.00 2.23 H new TER 1365 GLY A 90