USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 849 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 56 THR OG1 : rot 120:sc= -0.837 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -1.36 USER MOD Set 2.1: A 8 HIS : no HD1:sc= -0.188 X(o=-0.37,f=-0.19) USER MOD Set 2.2: A 10 HIS : no HD1:sc= -0.181 X(o=-0.37,f=-0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0087 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.285 USER MOD Single : A 5 HIS : no HD1:sc=-0.00962 X(o=-0.0096,f=-0.011) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 11 SER OG : rot 54:sc= 0.326 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 30 SER OG : rot 160:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -53:sc= 0.706 USER MOD Single : A 44 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.012) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.219 F(o=-0.76,f=-0.22) USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -0.691 (180deg=-2.67!) USER MOD Single : A 67 MET CE :methyl 150:sc= -5.2! (180deg=-7.21!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.231 F(o=-1.7,f=-0.23) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.081) USER MOD Single : A 89 TYR OH : rot -66:sc= 0.0147 USER MOD Single : A 90 THR OG1 : rot 30:sc= 0.218 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.39) USER MOD Single : A 106 SER OG : rot 180:sc= -0.146 USER MOD Single : A 109 SER OG : rot 18:sc= 0.00248 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 35.298 26.720 -0.782 1.00 53.20 N ATOM 2 CA MET A 1 34.764 27.652 -1.769 1.00 33.42 C ATOM 3 C MET A 1 34.852 27.065 -3.174 1.00 31.51 C ATOM 4 O MET A 1 35.870 26.487 -3.554 1.00 34.43 O ATOM 5 CB MET A 1 35.522 28.979 -1.710 1.00 12.54 C ATOM 6 CG MET A 1 34.816 30.115 -2.434 1.00 3.35 C ATOM 7 SD MET A 1 33.347 30.689 -1.560 1.00 2.13 S ATOM 8 CE MET A 1 33.890 32.305 -1.011 1.00 24.12 C ATOM 0 H1 MET A 1 35.874 27.240 -0.090 1.00 53.20 H new ATOM 0 H2 MET A 1 34.513 26.246 -0.292 1.00 53.20 H new ATOM 0 H3 MET A 1 35.888 26.009 -1.259 1.00 53.20 H new ATOM 0 HA MET A 1 33.715 27.830 -1.534 1.00 33.42 H new ATOM 0 HB2 MET A 1 35.668 29.259 -0.667 1.00 12.54 H new ATOM 0 HB3 MET A 1 36.512 28.842 -2.144 1.00 12.54 H new ATOM 0 HG2 MET A 1 35.509 30.947 -2.558 1.00 3.35 H new ATOM 0 HG3 MET A 1 34.533 29.784 -3.433 1.00 3.35 H new ATOM 0 HE1 MET A 1 33.088 32.788 -0.453 1.00 24.12 H new ATOM 0 HE2 MET A 1 34.764 32.196 -0.369 1.00 24.12 H new ATOM 0 HE3 MET A 1 34.149 32.915 -1.876 1.00 24.12 H new ATOM 18 N GLY A 2 33.778 27.218 -3.943 1.00 32.34 N ATOM 19 CA GLY A 2 33.755 26.698 -5.298 1.00 22.44 C ATOM 20 C GLY A 2 32.954 25.417 -5.413 1.00 34.51 C ATOM 21 O GLY A 2 33.282 24.540 -6.213 1.00 33.03 O ATOM 0 H GLY A 2 32.923 27.693 -3.652 1.00 32.34 H new ATOM 0 HA2 GLY A 2 33.332 27.449 -5.965 1.00 22.44 H new ATOM 0 HA3 GLY A 2 34.777 26.515 -5.631 1.00 22.44 H new ATOM 25 N SER A 3 31.900 25.305 -4.610 1.00 2.54 N ATOM 26 CA SER A 3 31.052 24.119 -4.621 1.00 42.51 C ATOM 27 C SER A 3 30.379 23.946 -5.979 1.00 61.54 C ATOM 28 O SER A 3 29.841 24.898 -6.544 1.00 32.21 O ATOM 29 CB SER A 3 29.992 24.213 -3.521 1.00 44.44 C ATOM 30 OG SER A 3 30.550 23.929 -2.250 1.00 71.05 O ATOM 0 H SER A 3 31.613 26.022 -3.943 1.00 2.54 H new ATOM 0 HA SER A 3 31.682 23.250 -4.434 1.00 42.51 H new ATOM 0 HB2 SER A 3 29.557 25.212 -3.516 1.00 44.44 H new ATOM 0 HB3 SER A 3 29.183 23.514 -3.731 1.00 44.44 H new ATOM 0 HG SER A 3 29.853 23.997 -1.564 1.00 71.05 H new ATOM 36 N SER A 4 30.414 22.722 -6.497 1.00 40.43 N ATOM 37 CA SER A 4 29.811 22.423 -7.792 1.00 74.43 C ATOM 38 C SER A 4 29.391 20.958 -7.870 1.00 32.31 C ATOM 39 O SER A 4 29.705 20.162 -6.984 1.00 22.54 O ATOM 40 CB SER A 4 30.790 22.745 -8.921 1.00 23.23 C ATOM 41 OG SER A 4 31.594 23.866 -8.595 1.00 62.13 O ATOM 0 H SER A 4 30.853 21.922 -6.041 1.00 40.43 H new ATOM 0 HA SER A 4 28.923 23.045 -7.903 1.00 74.43 H new ATOM 0 HB2 SER A 4 31.426 21.881 -9.113 1.00 23.23 H new ATOM 0 HB3 SER A 4 30.238 22.944 -9.839 1.00 23.23 H new ATOM 0 HG SER A 4 32.213 24.050 -9.332 1.00 62.13 H new ATOM 47 N HIS A 5 28.678 20.609 -8.935 1.00 44.41 N ATOM 48 CA HIS A 5 28.215 19.240 -9.131 1.00 74.21 C ATOM 49 C HIS A 5 28.419 18.798 -10.577 1.00 21.11 C ATOM 50 O HIS A 5 27.773 19.312 -11.491 1.00 71.21 O ATOM 51 CB HIS A 5 26.738 19.119 -8.753 1.00 55.30 C ATOM 52 CG HIS A 5 26.469 19.375 -7.302 1.00 14.22 C ATOM 53 ND1 HIS A 5 26.199 20.630 -6.796 1.00 73.11 N ATOM 54 CD2 HIS A 5 26.427 18.529 -6.246 1.00 50.04 C ATOM 55 CE1 HIS A 5 26.005 20.544 -5.492 1.00 54.15 C ATOM 56 NE2 HIS A 5 26.137 19.279 -5.134 1.00 10.34 N ATOM 0 H HIS A 5 28.408 21.255 -9.676 1.00 44.41 H new ATOM 0 HA HIS A 5 28.803 18.589 -8.484 1.00 74.21 H new ATOM 0 HB2 HIS A 5 26.159 19.823 -9.351 1.00 55.30 H new ATOM 0 HB3 HIS A 5 26.387 18.119 -9.009 1.00 55.30 H new ATOM 0 HD2 HIS A 5 26.591 17.462 -6.274 1.00 50.04 H new ATOM 0 HE1 HIS A 5 25.777 21.367 -4.831 1.00 54.15 H new ATOM 0 HE2 HIS A 5 26.039 18.918 -4.185 1.00 10.34 H new ATOM 65 N HIS A 6 29.322 17.843 -10.777 1.00 15.31 N ATOM 66 CA HIS A 6 29.611 17.333 -12.112 1.00 2.30 C ATOM 67 C HIS A 6 28.614 16.249 -12.508 1.00 31.50 C ATOM 68 O HIS A 6 28.061 15.558 -11.651 1.00 71.00 O ATOM 69 CB HIS A 6 31.035 16.778 -12.172 1.00 11.23 C ATOM 70 CG HIS A 6 32.089 17.841 -12.243 1.00 70.45 C ATOM 71 ND1 HIS A 6 32.690 18.380 -11.126 1.00 11.44 N ATOM 72 CD2 HIS A 6 32.650 18.462 -13.307 1.00 52.04 C ATOM 73 CE1 HIS A 6 33.574 19.288 -11.499 1.00 12.42 C ATOM 74 NE2 HIS A 6 33.569 19.357 -12.819 1.00 21.21 N ATOM 0 H HIS A 6 29.866 17.407 -10.032 1.00 15.31 H new ATOM 0 HA HIS A 6 29.521 18.160 -12.816 1.00 2.30 H new ATOM 0 HB2 HIS A 6 31.213 16.160 -11.292 1.00 11.23 H new ATOM 0 HB3 HIS A 6 31.127 16.128 -13.042 1.00 11.23 H new ATOM 0 HD2 HIS A 6 32.418 18.286 -14.347 1.00 52.04 H new ATOM 0 HE1 HIS A 6 34.195 19.874 -10.838 1.00 12.42 H new ATOM 0 HE2 HIS A 6 34.153 19.975 -13.383 1.00 21.21 H new ATOM 83 N HIS A 7 28.388 16.106 -13.810 1.00 62.45 N ATOM 84 CA HIS A 7 27.456 15.104 -14.319 1.00 33.23 C ATOM 85 C HIS A 7 27.916 14.573 -15.673 1.00 33.13 C ATOM 86 O HIS A 7 28.453 15.317 -16.493 1.00 30.01 O ATOM 87 CB HIS A 7 26.053 15.699 -14.440 1.00 72.44 C ATOM 88 CG HIS A 7 26.017 17.008 -15.168 1.00 22.03 C ATOM 89 ND1 HIS A 7 25.597 17.131 -16.475 1.00 74.13 N ATOM 90 CD2 HIS A 7 26.353 18.255 -14.763 1.00 13.32 C ATOM 91 CE1 HIS A 7 25.676 18.397 -16.843 1.00 11.30 C ATOM 92 NE2 HIS A 7 26.132 19.100 -15.822 1.00 51.34 N ATOM 0 H HIS A 7 28.837 16.670 -14.532 1.00 62.45 H new ATOM 0 HA HIS A 7 27.431 14.274 -13.613 1.00 33.23 H new ATOM 0 HB2 HIS A 7 25.409 14.988 -14.957 1.00 72.44 H new ATOM 0 HB3 HIS A 7 25.639 15.837 -13.441 1.00 72.44 H new ATOM 0 HD2 HIS A 7 26.726 18.533 -13.788 1.00 13.32 H new ATOM 0 HE1 HIS A 7 25.413 18.790 -17.814 1.00 11.30 H new ATOM 0 HE2 HIS A 7 26.294 20.107 -15.821 1.00 51.34 H new ATOM 101 N HIS A 8 27.702 13.281 -15.899 1.00 62.34 N ATOM 102 CA HIS A 8 28.094 12.649 -17.154 1.00 11.22 C ATOM 103 C HIS A 8 27.204 11.449 -17.460 1.00 70.04 C ATOM 104 O HIS A 8 26.505 10.941 -16.582 1.00 21.45 O ATOM 105 CB HIS A 8 29.558 12.212 -17.094 1.00 73.20 C ATOM 106 CG HIS A 8 29.810 11.097 -16.125 1.00 52.35 C ATOM 107 ND1 HIS A 8 30.522 9.962 -16.454 1.00 60.40 N ATOM 108 CD2 HIS A 8 29.442 10.947 -14.832 1.00 11.34 C ATOM 109 CE1 HIS A 8 30.579 9.162 -15.403 1.00 53.53 C ATOM 110 NE2 HIS A 8 29.932 9.738 -14.406 1.00 60.43 N ATOM 0 H HIS A 8 27.259 12.651 -15.230 1.00 62.34 H new ATOM 0 HA HIS A 8 27.974 13.380 -17.953 1.00 11.22 H new ATOM 0 HB2 HIS A 8 29.876 11.898 -18.088 1.00 73.20 H new ATOM 0 HB3 HIS A 8 30.173 13.068 -16.818 1.00 73.20 H new ATOM 0 HD2 HIS A 8 28.869 11.649 -14.244 1.00 11.34 H new ATOM 0 HE1 HIS A 8 31.071 8.201 -15.366 1.00 53.53 H new ATOM 0 HE2 HIS A 8 29.815 9.348 -13.471 1.00 60.43 H new ATOM 119 N HIS A 9 27.233 11.000 -18.711 1.00 22.10 N ATOM 120 CA HIS A 9 26.429 9.858 -19.132 1.00 52.23 C ATOM 121 C HIS A 9 27.016 8.554 -18.601 1.00 45.43 C ATOM 122 O HIS A 9 28.196 8.488 -18.254 1.00 43.42 O ATOM 123 CB HIS A 9 26.338 9.807 -20.658 1.00 70.02 C ATOM 124 CG HIS A 9 25.873 11.091 -21.274 1.00 64.34 C ATOM 125 ND1 HIS A 9 26.162 11.450 -22.574 1.00 20.25 N ATOM 126 CD2 HIS A 9 25.133 12.102 -20.761 1.00 43.02 C ATOM 127 CE1 HIS A 9 25.622 12.627 -22.833 1.00 12.43 C ATOM 128 NE2 HIS A 9 24.991 13.045 -21.749 1.00 62.24 N ATOM 0 H HIS A 9 27.804 11.409 -19.450 1.00 22.10 H new ATOM 0 HA HIS A 9 25.427 9.978 -18.719 1.00 52.23 H new ATOM 0 HB2 HIS A 9 27.317 9.553 -21.064 1.00 70.02 H new ATOM 0 HB3 HIS A 9 25.656 9.007 -20.947 1.00 70.02 H new ATOM 0 HD2 HIS A 9 24.729 12.157 -19.761 1.00 43.02 H new ATOM 0 HE1 HIS A 9 25.685 13.158 -23.771 1.00 12.43 H new ATOM 0 HE2 HIS A 9 24.482 13.924 -21.661 1.00 62.24 H new ATOM 137 N HIS A 10 26.185 7.518 -18.541 1.00 11.21 N ATOM 138 CA HIS A 10 26.622 6.215 -18.052 1.00 43.21 C ATOM 139 C HIS A 10 26.388 5.134 -19.103 1.00 43.52 C ATOM 140 O HIS A 10 25.261 4.678 -19.297 1.00 2.42 O ATOM 141 CB HIS A 10 25.885 5.858 -16.762 1.00 64.52 C ATOM 142 CG HIS A 10 26.485 6.476 -15.538 1.00 0.44 C ATOM 143 ND1 HIS A 10 26.653 5.791 -14.353 1.00 71.31 N ATOM 144 CD2 HIS A 10 26.960 7.725 -15.318 1.00 65.02 C ATOM 145 CE1 HIS A 10 27.204 6.591 -13.457 1.00 51.45 C ATOM 146 NE2 HIS A 10 27.401 7.771 -14.018 1.00 45.31 N ATOM 0 H HIS A 10 25.206 7.555 -18.825 1.00 11.21 H new ATOM 0 HA HIS A 10 27.691 6.271 -17.846 1.00 43.21 H new ATOM 0 HB2 HIS A 10 24.846 6.176 -16.847 1.00 64.52 H new ATOM 0 HB3 HIS A 10 25.878 4.774 -16.645 1.00 64.52 H new ATOM 0 HD2 HIS A 10 26.987 8.535 -16.032 1.00 65.02 H new ATOM 0 HE1 HIS A 10 27.451 6.326 -12.440 1.00 51.45 H new ATOM 0 HE2 HIS A 10 27.813 8.584 -13.560 1.00 45.31 H new ATOM 155 N SER A 11 27.459 4.730 -19.779 1.00 53.00 N ATOM 156 CA SER A 11 27.368 3.706 -20.813 1.00 1.14 C ATOM 157 C SER A 11 27.799 2.346 -20.270 1.00 41.14 C ATOM 158 O SER A 11 28.938 1.920 -20.464 1.00 54.14 O ATOM 159 CB SER A 11 28.237 4.086 -22.014 1.00 35.30 C ATOM 160 OG SER A 11 29.560 4.393 -21.610 1.00 3.01 O ATOM 0 H SER A 11 28.399 5.096 -19.629 1.00 53.00 H new ATOM 0 HA SER A 11 26.328 3.638 -21.132 1.00 1.14 H new ATOM 0 HB2 SER A 11 28.254 3.264 -22.729 1.00 35.30 H new ATOM 0 HB3 SER A 11 27.801 4.944 -22.525 1.00 35.30 H new ATOM 0 HG SER A 11 29.922 3.650 -21.083 1.00 3.01 H new ATOM 166 N SER A 12 26.879 1.670 -19.590 1.00 33.24 N ATOM 167 CA SER A 12 27.163 0.360 -19.014 1.00 42.34 C ATOM 168 C SER A 12 25.985 -0.588 -19.215 1.00 54.05 C ATOM 169 O SER A 12 24.863 -0.300 -18.797 1.00 3.24 O ATOM 170 CB SER A 12 27.478 0.492 -17.524 1.00 64.21 C ATOM 171 OG SER A 12 28.145 -0.662 -17.040 1.00 51.35 O ATOM 0 H SER A 12 25.931 2.007 -19.424 1.00 33.24 H new ATOM 0 HA SER A 12 28.032 -0.054 -19.526 1.00 42.34 H new ATOM 0 HB2 SER A 12 28.099 1.372 -17.357 1.00 64.21 H new ATOM 0 HB3 SER A 12 26.554 0.643 -16.966 1.00 64.21 H new ATOM 0 HG SER A 12 28.337 -0.553 -16.085 1.00 51.35 H new ATOM 177 N GLY A 13 26.246 -1.722 -19.859 1.00 4.55 N ATOM 178 CA GLY A 13 25.199 -2.696 -20.104 1.00 12.43 C ATOM 179 C GLY A 13 25.661 -4.118 -19.858 1.00 34.13 C ATOM 180 O GLY A 13 26.737 -4.515 -20.305 1.00 64.55 O ATOM 0 H GLY A 13 27.165 -1.983 -20.216 1.00 4.55 H new ATOM 0 HA2 GLY A 13 24.346 -2.478 -19.461 1.00 12.43 H new ATOM 0 HA3 GLY A 13 24.854 -2.602 -21.134 1.00 12.43 H new ATOM 184 N LEU A 14 24.847 -4.886 -19.142 1.00 73.22 N ATOM 185 CA LEU A 14 25.178 -6.273 -18.835 1.00 34.11 C ATOM 186 C LEU A 14 24.004 -7.195 -19.147 1.00 62.40 C ATOM 187 O LEU A 14 23.859 -8.259 -18.545 1.00 34.23 O ATOM 188 CB LEU A 14 25.571 -6.410 -17.362 1.00 4.41 C ATOM 189 CG LEU A 14 24.761 -5.575 -16.370 1.00 41.43 C ATOM 190 CD1 LEU A 14 23.323 -6.067 -16.308 1.00 45.01 C ATOM 191 CD2 LEU A 14 25.401 -5.615 -14.990 1.00 62.03 C ATOM 0 H LEU A 14 23.953 -4.572 -18.763 1.00 73.22 H new ATOM 0 HA LEU A 14 26.022 -6.566 -19.459 1.00 34.11 H new ATOM 0 HB2 LEU A 14 25.483 -7.459 -17.080 1.00 4.41 H new ATOM 0 HB3 LEU A 14 26.622 -6.139 -17.261 1.00 4.41 H new ATOM 0 HG LEU A 14 24.755 -4.541 -16.715 1.00 41.43 H new ATOM 0 HD11 LEU A 14 22.761 -5.461 -15.597 1.00 45.01 H new ATOM 0 HD12 LEU A 14 22.867 -5.984 -17.295 1.00 45.01 H new ATOM 0 HD13 LEU A 14 23.308 -7.109 -15.988 1.00 45.01 H new ATOM 0 HD21 LEU A 14 24.811 -5.015 -14.298 1.00 62.03 H new ATOM 0 HD22 LEU A 14 25.439 -6.645 -14.636 1.00 62.03 H new ATOM 0 HD23 LEU A 14 26.413 -5.213 -15.046 1.00 62.03 H new ATOM 203 N VAL A 15 23.169 -6.781 -20.095 1.00 32.52 N ATOM 204 CA VAL A 15 22.010 -7.572 -20.490 1.00 51.41 C ATOM 205 C VAL A 15 21.103 -7.852 -19.296 1.00 64.13 C ATOM 206 O VAL A 15 21.513 -7.761 -18.139 1.00 62.14 O ATOM 207 CB VAL A 15 22.432 -8.909 -21.125 1.00 63.11 C ATOM 208 CG1 VAL A 15 23.893 -8.862 -21.549 1.00 71.21 C ATOM 209 CG2 VAL A 15 22.186 -10.059 -20.160 1.00 75.24 C ATOM 0 H VAL A 15 23.274 -5.903 -20.603 1.00 32.52 H new ATOM 0 HA VAL A 15 21.463 -6.985 -21.228 1.00 51.41 H new ATOM 0 HB VAL A 15 21.825 -9.075 -22.015 1.00 63.11 H new ATOM 0 HG11 VAL A 15 24.173 -9.816 -21.996 1.00 71.21 H new ATOM 0 HG12 VAL A 15 24.035 -8.064 -22.278 1.00 71.21 H new ATOM 0 HG13 VAL A 15 24.519 -8.672 -20.677 1.00 71.21 H new ATOM 0 HG21 VAL A 15 22.490 -10.996 -20.626 1.00 75.24 H new ATOM 0 HG22 VAL A 15 22.766 -9.901 -19.250 1.00 75.24 H new ATOM 0 HG23 VAL A 15 21.126 -10.105 -19.911 1.00 75.24 H new ATOM 219 N PRO A 16 19.840 -8.204 -19.583 1.00 32.03 N ATOM 220 CA PRO A 16 18.849 -8.507 -18.546 1.00 53.21 C ATOM 221 C PRO A 16 19.150 -9.812 -17.819 1.00 25.11 C ATOM 222 O PRO A 16 19.032 -10.895 -18.393 1.00 33.33 O ATOM 223 CB PRO A 16 17.539 -8.621 -19.330 1.00 61.10 C ATOM 224 CG PRO A 16 17.956 -9.001 -20.709 1.00 44.32 C ATOM 225 CD PRO A 16 19.283 -8.332 -20.940 1.00 30.44 C ATOM 0 HA PRO A 16 18.830 -7.746 -17.766 1.00 53.21 H new ATOM 0 HB2 PRO A 16 16.881 -9.372 -18.894 1.00 61.10 H new ATOM 0 HB3 PRO A 16 16.992 -7.678 -19.327 1.00 61.10 H new ATOM 0 HG2 PRO A 16 18.042 -10.083 -20.806 1.00 44.32 H new ATOM 0 HG3 PRO A 16 17.220 -8.673 -21.443 1.00 44.32 H new ATOM 0 HD2 PRO A 16 19.928 -8.930 -21.584 1.00 30.44 H new ATOM 0 HD3 PRO A 16 19.165 -7.360 -21.420 1.00 30.44 H new ATOM 233 N ARG A 17 19.542 -9.703 -16.553 1.00 61.42 N ATOM 234 CA ARG A 17 19.861 -10.876 -15.748 1.00 3.05 C ATOM 235 C ARG A 17 19.426 -10.676 -14.299 1.00 61.05 C ATOM 236 O ARG A 17 19.081 -9.567 -13.891 1.00 24.25 O ATOM 237 CB ARG A 17 21.362 -11.166 -15.806 1.00 34.54 C ATOM 238 CG ARG A 17 22.225 -10.013 -15.320 1.00 31.11 C ATOM 239 CD ARG A 17 22.611 -10.182 -13.860 1.00 31.42 C ATOM 240 NE ARG A 17 23.432 -11.371 -13.646 1.00 33.21 N ATOM 241 CZ ARG A 17 23.805 -11.800 -12.445 1.00 73.33 C ATOM 242 NH1 ARG A 17 23.431 -11.141 -11.356 1.00 24.44 N ATOM 243 NH2 ARG A 17 24.552 -12.891 -12.331 1.00 22.43 N ATOM 0 H ARG A 17 19.646 -8.814 -16.063 1.00 61.42 H new ATOM 0 HA ARG A 17 19.317 -11.727 -16.158 1.00 3.05 H new ATOM 0 HB2 ARG A 17 21.576 -12.048 -15.203 1.00 34.54 H new ATOM 0 HB3 ARG A 17 21.637 -11.407 -16.833 1.00 34.54 H new ATOM 0 HG2 ARG A 17 23.126 -9.949 -15.930 1.00 31.11 H new ATOM 0 HG3 ARG A 17 21.686 -9.074 -15.448 1.00 31.11 H new ATOM 0 HD2 ARG A 17 23.156 -9.300 -13.524 1.00 31.42 H new ATOM 0 HD3 ARG A 17 21.709 -10.250 -13.252 1.00 31.42 H new ATOM 0 HE ARG A 17 23.736 -11.901 -14.463 1.00 33.21 H new ATOM 0 HH11 ARG A 17 22.856 -10.303 -11.439 1.00 24.44 H new ATOM 0 HH12 ARG A 17 23.719 -11.473 -10.435 1.00 24.44 H new ATOM 0 HH21 ARG A 17 24.840 -13.401 -13.166 1.00 22.43 H new ATOM 0 HH22 ARG A 17 24.838 -13.219 -11.409 1.00 22.43 H new ATOM 257 N GLY A 18 19.442 -11.758 -13.527 1.00 31.51 N ATOM 258 CA GLY A 18 19.047 -11.681 -12.133 1.00 13.31 C ATOM 259 C GLY A 18 18.486 -12.990 -11.615 1.00 63.13 C ATOM 260 O GLY A 18 17.374 -13.033 -11.091 1.00 55.13 O ATOM 0 H GLY A 18 19.722 -12.687 -13.842 1.00 31.51 H new ATOM 0 HA2 GLY A 18 19.909 -11.395 -11.530 1.00 13.31 H new ATOM 0 HA3 GLY A 18 18.300 -10.897 -12.013 1.00 13.31 H new ATOM 264 N SER A 19 19.257 -14.062 -11.765 1.00 62.50 N ATOM 265 CA SER A 19 18.829 -15.381 -11.314 1.00 31.24 C ATOM 266 C SER A 19 20.032 -16.256 -10.974 1.00 72.22 C ATOM 267 O SER A 19 21.145 -16.011 -11.442 1.00 74.01 O ATOM 268 CB SER A 19 17.978 -16.060 -12.389 1.00 31.34 C ATOM 269 OG SER A 19 17.615 -17.372 -11.998 1.00 45.10 O ATOM 0 H SER A 19 20.182 -14.043 -12.195 1.00 62.50 H new ATOM 0 HA SER A 19 18.229 -15.252 -10.413 1.00 31.24 H new ATOM 0 HB2 SER A 19 17.080 -15.470 -12.573 1.00 31.34 H new ATOM 0 HB3 SER A 19 18.532 -16.097 -13.327 1.00 31.34 H new ATOM 0 HG SER A 19 17.070 -17.784 -12.701 1.00 45.10 H new ATOM 275 N HIS A 20 19.800 -17.278 -10.156 1.00 71.42 N ATOM 276 CA HIS A 20 20.863 -18.191 -9.753 1.00 10.04 C ATOM 277 C HIS A 20 20.320 -19.602 -9.548 1.00 73.32 C ATOM 278 O HIS A 20 19.159 -19.783 -9.183 1.00 40.23 O ATOM 279 CB HIS A 20 21.529 -17.697 -8.468 1.00 41.43 C ATOM 280 CG HIS A 20 22.662 -16.748 -8.707 1.00 1.45 C ATOM 281 ND1 HIS A 20 22.646 -15.435 -8.287 1.00 34.23 N ATOM 282 CD2 HIS A 20 23.852 -16.928 -9.327 1.00 20.54 C ATOM 283 CE1 HIS A 20 23.776 -14.848 -8.638 1.00 44.43 C ATOM 284 NE2 HIS A 20 24.525 -15.733 -9.271 1.00 2.23 N ATOM 0 H HIS A 20 18.885 -17.494 -9.760 1.00 71.42 H new ATOM 0 HA HIS A 20 21.605 -18.219 -10.551 1.00 10.04 H new ATOM 0 HB2 HIS A 20 20.780 -17.207 -7.846 1.00 41.43 H new ATOM 0 HB3 HIS A 20 21.897 -18.555 -7.906 1.00 41.43 H new ATOM 0 HD2 HIS A 20 24.206 -17.842 -9.781 1.00 20.54 H new ATOM 0 HE1 HIS A 20 24.042 -13.820 -8.441 1.00 44.43 H new ATOM 0 HE2 HIS A 20 25.453 -15.557 -9.656 1.00 2.23 H new ATOM 293 N MET A 21 21.167 -20.598 -9.786 1.00 64.04 N ATOM 294 CA MET A 21 20.771 -21.992 -9.627 1.00 62.54 C ATOM 295 C MET A 21 21.436 -22.610 -8.401 1.00 3.23 C ATOM 296 O MET A 21 21.903 -23.749 -8.445 1.00 43.10 O ATOM 297 CB MET A 21 21.134 -22.794 -10.878 1.00 3.10 C ATOM 298 CG MET A 21 20.273 -22.460 -12.085 1.00 63.12 C ATOM 299 SD MET A 21 20.476 -23.643 -13.431 1.00 51.44 S ATOM 300 CE MET A 21 18.889 -23.500 -14.249 1.00 41.54 C ATOM 0 H MET A 21 22.132 -20.466 -10.090 1.00 64.04 H new ATOM 0 HA MET A 21 19.691 -22.023 -9.486 1.00 62.54 H new ATOM 0 HB2 MET A 21 22.180 -22.611 -11.126 1.00 3.10 H new ATOM 0 HB3 MET A 21 21.040 -23.857 -10.658 1.00 3.10 H new ATOM 0 HG2 MET A 21 19.226 -22.434 -11.784 1.00 63.12 H new ATOM 0 HG3 MET A 21 20.526 -21.462 -12.442 1.00 63.12 H new ATOM 0 HE1 MET A 21 18.859 -24.173 -15.106 1.00 41.54 H new ATOM 0 HE2 MET A 21 18.095 -23.766 -13.551 1.00 41.54 H new ATOM 0 HE3 MET A 21 18.746 -22.474 -14.588 1.00 41.54 H new ATOM 310 N ILE A 22 21.476 -21.853 -7.311 1.00 30.23 N ATOM 311 CA ILE A 22 22.085 -22.327 -6.074 1.00 73.13 C ATOM 312 C ILE A 22 21.241 -23.424 -5.432 1.00 4.03 C ATOM 313 O ILE A 22 20.012 -23.353 -5.426 1.00 14.22 O ATOM 314 CB ILE A 22 22.271 -21.181 -5.062 1.00 24.41 C ATOM 315 CG1 ILE A 22 23.114 -21.652 -3.874 1.00 44.43 C ATOM 316 CG2 ILE A 22 20.919 -20.667 -4.589 1.00 31.54 C ATOM 317 CD1 ILE A 22 23.494 -20.538 -2.925 1.00 5.02 C ATOM 0 H ILE A 22 21.094 -20.909 -7.258 1.00 30.23 H new ATOM 0 HA ILE A 22 23.063 -22.730 -6.338 1.00 73.13 H new ATOM 0 HB ILE A 22 22.797 -20.363 -5.554 1.00 24.41 H new ATOM 0 HG12 ILE A 22 22.560 -22.413 -3.325 1.00 44.43 H new ATOM 0 HG13 ILE A 22 24.022 -22.126 -4.248 1.00 44.43 H new ATOM 0 HG21 ILE A 22 21.067 -19.857 -3.874 1.00 31.54 H new ATOM 0 HG22 ILE A 22 20.351 -20.298 -5.443 1.00 31.54 H new ATOM 0 HG23 ILE A 22 20.369 -21.477 -4.110 1.00 31.54 H new ATOM 0 HD11 ILE A 22 24.090 -20.944 -2.108 1.00 5.02 H new ATOM 0 HD12 ILE A 22 24.075 -19.787 -3.460 1.00 5.02 H new ATOM 0 HD13 ILE A 22 22.591 -20.079 -2.522 1.00 5.02 H new ATOM 329 N SER A 23 21.910 -24.438 -4.893 1.00 32.55 N ATOM 330 CA SER A 23 21.223 -25.551 -4.249 1.00 43.14 C ATOM 331 C SER A 23 20.230 -25.047 -3.205 1.00 64.23 C ATOM 332 O SER A 23 19.073 -25.469 -3.179 1.00 35.04 O ATOM 333 CB SER A 23 22.235 -26.494 -3.594 1.00 54.44 C ATOM 334 OG SER A 23 23.382 -26.655 -4.408 1.00 5.44 O ATOM 0 H SER A 23 22.927 -24.512 -4.890 1.00 32.55 H new ATOM 0 HA SER A 23 20.672 -26.097 -5.015 1.00 43.14 H new ATOM 0 HB2 SER A 23 22.528 -26.099 -2.621 1.00 54.44 H new ATOM 0 HB3 SER A 23 21.771 -27.465 -3.418 1.00 54.44 H new ATOM 0 HG SER A 23 24.014 -27.260 -3.967 1.00 5.44 H new ATOM 340 N LEU A 24 20.691 -24.143 -2.348 1.00 62.35 N ATOM 341 CA LEU A 24 19.844 -23.581 -1.302 1.00 20.02 C ATOM 342 C LEU A 24 19.283 -24.680 -0.405 1.00 0.34 C ATOM 343 O LEU A 24 18.085 -24.716 -0.128 1.00 74.42 O ATOM 344 CB LEU A 24 18.700 -22.777 -1.921 1.00 33.31 C ATOM 345 CG LEU A 24 17.994 -21.789 -0.992 1.00 12.10 C ATOM 346 CD1 LEU A 24 18.822 -20.525 -0.828 1.00 43.30 C ATOM 347 CD2 LEU A 24 16.607 -21.455 -1.523 1.00 41.11 C ATOM 0 H LEU A 24 21.646 -23.784 -2.357 1.00 62.35 H new ATOM 0 HA LEU A 24 20.456 -22.918 -0.691 1.00 20.02 H new ATOM 0 HB2 LEU A 24 19.091 -22.225 -2.776 1.00 33.31 H new ATOM 0 HB3 LEU A 24 17.958 -23.476 -2.306 1.00 33.31 H new ATOM 0 HG LEU A 24 17.884 -22.256 -0.013 1.00 12.10 H new ATOM 0 HD11 LEU A 24 18.303 -19.834 -0.164 1.00 43.30 H new ATOM 0 HD12 LEU A 24 19.793 -20.779 -0.402 1.00 43.30 H new ATOM 0 HD13 LEU A 24 18.965 -20.055 -1.801 1.00 43.30 H new ATOM 0 HD21 LEU A 24 16.119 -20.751 -0.849 1.00 41.11 H new ATOM 0 HD22 LEU A 24 16.694 -21.008 -2.513 1.00 41.11 H new ATOM 0 HD23 LEU A 24 16.013 -22.367 -1.587 1.00 41.11 H new ATOM 359 N SER A 25 20.158 -25.574 0.045 1.00 55.52 N ATOM 360 CA SER A 25 19.749 -26.675 0.909 1.00 31.34 C ATOM 361 C SER A 25 18.958 -26.160 2.108 1.00 71.20 C ATOM 362 O SER A 25 19.487 -25.436 2.950 1.00 33.31 O ATOM 363 CB SER A 25 20.974 -27.456 1.389 1.00 10.11 C ATOM 364 OG SER A 25 20.595 -28.688 1.978 1.00 70.04 O ATOM 0 H SER A 25 21.154 -25.557 -0.174 1.00 55.52 H new ATOM 0 HA SER A 25 19.107 -27.339 0.331 1.00 31.34 H new ATOM 0 HB2 SER A 25 21.643 -27.642 0.549 1.00 10.11 H new ATOM 0 HB3 SER A 25 21.529 -26.859 2.113 1.00 10.11 H new ATOM 0 HG SER A 25 21.396 -29.169 2.275 1.00 70.04 H new ATOM 370 N GLY A 26 17.687 -26.541 2.178 1.00 53.15 N ATOM 371 CA GLY A 26 16.842 -26.109 3.277 1.00 53.53 C ATOM 372 C GLY A 26 15.923 -27.209 3.769 1.00 23.10 C ATOM 373 O GLY A 26 15.648 -28.169 3.047 1.00 44.52 O ATOM 0 H GLY A 26 17.227 -27.141 1.494 1.00 53.15 H new ATOM 0 HA2 GLY A 26 17.469 -25.768 4.101 1.00 53.53 H new ATOM 0 HA3 GLY A 26 16.244 -25.256 2.957 1.00 53.53 H new ATOM 377 N LEU A 27 15.448 -27.073 5.002 1.00 62.24 N ATOM 378 CA LEU A 27 14.555 -28.066 5.591 1.00 21.33 C ATOM 379 C LEU A 27 13.129 -27.888 5.079 1.00 14.41 C ATOM 380 O LEU A 27 12.296 -28.787 5.201 1.00 25.41 O ATOM 381 CB LEU A 27 14.578 -27.959 7.117 1.00 3.33 C ATOM 382 CG LEU A 27 13.434 -28.654 7.856 1.00 11.11 C ATOM 383 CD1 LEU A 27 13.413 -30.139 7.532 1.00 24.32 C ATOM 384 CD2 LEU A 27 13.558 -28.435 9.356 1.00 13.30 C ATOM 0 H LEU A 27 15.666 -26.286 5.613 1.00 62.24 H new ATOM 0 HA LEU A 27 14.906 -29.055 5.296 1.00 21.33 H new ATOM 0 HB2 LEU A 27 15.520 -28.373 7.476 1.00 3.33 H new ATOM 0 HB3 LEU A 27 14.570 -26.903 7.387 1.00 3.33 H new ATOM 0 HG LEU A 27 12.493 -28.218 7.522 1.00 11.11 H new ATOM 0 HD11 LEU A 27 12.592 -30.617 8.067 1.00 24.32 H new ATOM 0 HD12 LEU A 27 13.275 -30.275 6.459 1.00 24.32 H new ATOM 0 HD13 LEU A 27 14.357 -30.591 7.837 1.00 24.32 H new ATOM 0 HD21 LEU A 27 12.736 -28.937 9.866 1.00 13.30 H new ATOM 0 HD22 LEU A 27 14.506 -28.844 9.706 1.00 13.30 H new ATOM 0 HD23 LEU A 27 13.522 -27.367 9.572 1.00 13.30 H new ATOM 396 N THR A 28 12.854 -26.722 4.502 1.00 31.45 N ATOM 397 CA THR A 28 11.530 -26.426 3.971 1.00 41.11 C ATOM 398 C THR A 28 11.624 -25.651 2.661 1.00 15.10 C ATOM 399 O THR A 28 12.629 -24.996 2.388 1.00 41.01 O ATOM 400 CB THR A 28 10.689 -25.614 4.976 1.00 65.14 C ATOM 401 OG1 THR A 28 9.726 -24.818 4.277 1.00 73.34 O ATOM 402 CG2 THR A 28 11.577 -24.717 5.822 1.00 33.35 C ATOM 0 H THR A 28 13.531 -25.967 4.391 1.00 31.45 H new ATOM 0 HA THR A 28 11.041 -27.383 3.790 1.00 41.11 H new ATOM 0 HB THR A 28 10.173 -26.313 5.634 1.00 65.14 H new ATOM 0 HG1 THR A 28 9.195 -24.306 4.922 1.00 73.34 H new ATOM 0 HG21 THR A 28 10.962 -24.154 6.524 1.00 33.35 H new ATOM 0 HG22 THR A 28 12.291 -25.328 6.374 1.00 33.35 H new ATOM 0 HG23 THR A 28 12.116 -24.025 5.175 1.00 33.35 H new ATOM 410 N SER A 29 10.569 -25.729 1.857 1.00 41.44 N ATOM 411 CA SER A 29 10.534 -25.036 0.574 1.00 65.13 C ATOM 412 C SER A 29 10.908 -23.567 0.739 1.00 61.11 C ATOM 413 O SER A 29 10.757 -22.994 1.817 1.00 21.43 O ATOM 414 CB SER A 29 9.144 -25.154 -0.055 1.00 1.54 C ATOM 415 OG SER A 29 8.838 -24.008 -0.832 1.00 72.32 O ATOM 0 H SER A 29 9.728 -26.265 2.071 1.00 41.44 H new ATOM 0 HA SER A 29 11.264 -25.506 -0.085 1.00 65.13 H new ATOM 0 HB2 SER A 29 9.099 -26.045 -0.681 1.00 1.54 H new ATOM 0 HB3 SER A 29 8.396 -25.277 0.728 1.00 1.54 H new ATOM 0 HG SER A 29 7.946 -24.108 -1.225 1.00 72.32 H new ATOM 421 N SER A 30 11.397 -22.962 -0.339 1.00 64.42 N ATOM 422 CA SER A 30 11.796 -21.560 -0.314 1.00 43.33 C ATOM 423 C SER A 30 11.363 -20.848 -1.592 1.00 70.24 C ATOM 424 O SER A 30 12.063 -20.883 -2.604 1.00 63.15 O ATOM 425 CB SER A 30 13.312 -21.442 -0.141 1.00 64.55 C ATOM 426 OG SER A 30 13.673 -20.161 0.342 1.00 74.32 O ATOM 0 H SER A 30 11.526 -23.421 -1.241 1.00 64.42 H new ATOM 0 HA SER A 30 11.302 -21.083 0.532 1.00 43.33 H new ATOM 0 HB2 SER A 30 13.662 -22.207 0.552 1.00 64.55 H new ATOM 0 HB3 SER A 30 13.805 -21.626 -1.095 1.00 64.55 H new ATOM 0 HG SER A 30 14.566 -20.202 0.743 1.00 74.32 H new ATOM 432 N VAL A 31 10.202 -20.203 -1.538 1.00 61.54 N ATOM 433 CA VAL A 31 9.672 -19.482 -2.689 1.00 23.00 C ATOM 434 C VAL A 31 9.130 -18.117 -2.280 1.00 43.33 C ATOM 435 O VAL A 31 8.156 -17.629 -2.853 1.00 65.42 O ATOM 436 CB VAL A 31 8.554 -20.280 -3.386 1.00 11.41 C ATOM 437 CG1 VAL A 31 9.081 -21.617 -3.883 1.00 33.13 C ATOM 438 CG2 VAL A 31 7.376 -20.478 -2.444 1.00 63.24 C ATOM 0 H VAL A 31 9.610 -20.165 -0.708 1.00 61.54 H new ATOM 0 HA VAL A 31 10.499 -19.347 -3.386 1.00 23.00 H new ATOM 0 HB VAL A 31 8.209 -19.711 -4.249 1.00 11.41 H new ATOM 0 HG11 VAL A 31 8.277 -22.166 -4.372 1.00 33.13 H new ATOM 0 HG12 VAL A 31 9.890 -21.448 -4.594 1.00 33.13 H new ATOM 0 HG13 VAL A 31 9.455 -22.197 -3.039 1.00 33.13 H new ATOM 0 HG21 VAL A 31 6.595 -21.044 -2.952 1.00 63.24 H new ATOM 0 HG22 VAL A 31 7.705 -21.026 -1.561 1.00 63.24 H new ATOM 0 HG23 VAL A 31 6.983 -19.507 -2.143 1.00 63.24 H new ATOM 448 N GLU A 32 9.768 -17.506 -1.288 1.00 23.23 N ATOM 449 CA GLU A 32 9.348 -16.197 -0.803 1.00 10.34 C ATOM 450 C GLU A 32 9.756 -15.097 -1.780 1.00 24.41 C ATOM 451 O GLU A 32 9.144 -14.031 -1.823 1.00 40.25 O ATOM 452 CB GLU A 32 9.955 -15.920 0.575 1.00 54.34 C ATOM 453 CG GLU A 32 11.474 -15.930 0.584 1.00 75.32 C ATOM 454 CD GLU A 32 12.049 -15.765 1.978 1.00 4.52 C ATOM 455 OE1 GLU A 32 11.278 -15.867 2.953 1.00 61.41 O ATOM 456 OE2 GLU A 32 13.271 -15.532 2.092 1.00 3.51 O ATOM 0 H GLU A 32 10.577 -17.896 -0.805 1.00 23.23 H new ATOM 0 HA GLU A 32 8.261 -16.201 -0.720 1.00 10.34 H new ATOM 0 HB2 GLU A 32 9.604 -14.951 0.929 1.00 54.34 H new ATOM 0 HB3 GLU A 32 9.591 -16.667 1.280 1.00 54.34 H new ATOM 0 HG2 GLU A 32 11.830 -16.867 0.156 1.00 75.32 H new ATOM 0 HG3 GLU A 32 11.843 -15.128 -0.055 1.00 75.32 H new ATOM 464 N SER A 33 10.797 -15.367 -2.563 1.00 32.44 N ATOM 465 CA SER A 33 11.291 -14.401 -3.537 1.00 53.32 C ATOM 466 C SER A 33 11.129 -14.931 -4.958 1.00 74.11 C ATOM 467 O SER A 33 11.050 -14.160 -5.915 1.00 1.11 O ATOM 468 CB SER A 33 12.761 -14.076 -3.265 1.00 43.03 C ATOM 469 OG SER A 33 13.502 -15.255 -3.004 1.00 21.24 O ATOM 0 H SER A 33 11.314 -16.246 -2.541 1.00 32.44 H new ATOM 0 HA SER A 33 10.701 -13.489 -3.439 1.00 53.32 H new ATOM 0 HB2 SER A 33 13.187 -13.557 -4.124 1.00 43.03 H new ATOM 0 HB3 SER A 33 12.836 -13.399 -2.414 1.00 43.03 H new ATOM 0 HG SER A 33 14.439 -15.022 -2.835 1.00 21.24 H new ATOM 475 N ASP A 34 11.081 -16.252 -5.087 1.00 45.15 N ATOM 476 CA ASP A 34 10.928 -16.888 -6.391 1.00 11.41 C ATOM 477 C ASP A 34 9.678 -16.376 -7.101 1.00 4.33 C ATOM 478 O ASP A 34 9.601 -16.389 -8.331 1.00 74.32 O ATOM 479 CB ASP A 34 10.855 -18.407 -6.237 1.00 32.32 C ATOM 480 CG ASP A 34 10.589 -19.111 -7.553 1.00 33.32 C ATOM 481 OD1 ASP A 34 11.347 -18.873 -8.517 1.00 54.34 O ATOM 482 OD2 ASP A 34 9.625 -19.902 -7.617 1.00 41.54 O ATOM 0 H ASP A 34 11.146 -16.904 -4.305 1.00 45.15 H new ATOM 0 HA ASP A 34 11.799 -16.634 -6.996 1.00 11.41 H new ATOM 0 HB2 ASP A 34 11.792 -18.772 -5.816 1.00 32.32 H new ATOM 0 HB3 ASP A 34 10.067 -18.660 -5.527 1.00 32.32 H new ATOM 488 N LEU A 35 8.702 -15.928 -6.321 1.00 14.41 N ATOM 489 CA LEU A 35 7.455 -15.412 -6.875 1.00 71.13 C ATOM 490 C LEU A 35 7.613 -13.961 -7.317 1.00 31.24 C ATOM 491 O LEU A 35 6.891 -13.486 -8.193 1.00 10.11 O ATOM 492 CB LEU A 35 6.331 -15.522 -5.842 1.00 23.33 C ATOM 493 CG LEU A 35 5.433 -16.754 -5.957 1.00 53.24 C ATOM 494 CD1 LEU A 35 5.862 -17.823 -4.964 1.00 71.21 C ATOM 495 CD2 LEU A 35 3.975 -16.374 -5.739 1.00 32.43 C ATOM 0 H LEU A 35 8.749 -15.911 -5.302 1.00 14.41 H new ATOM 0 HA LEU A 35 7.199 -16.012 -7.748 1.00 71.13 H new ATOM 0 HB2 LEU A 35 6.777 -15.513 -4.847 1.00 23.33 H new ATOM 0 HB3 LEU A 35 5.706 -14.633 -5.919 1.00 23.33 H new ATOM 0 HG LEU A 35 5.535 -17.161 -6.963 1.00 53.24 H new ATOM 0 HD11 LEU A 35 5.211 -18.692 -5.061 1.00 71.21 H new ATOM 0 HD12 LEU A 35 6.892 -18.117 -5.168 1.00 71.21 H new ATOM 0 HD13 LEU A 35 5.791 -17.428 -3.951 1.00 71.21 H new ATOM 0 HD21 LEU A 35 3.351 -17.263 -5.825 1.00 32.43 H new ATOM 0 HD22 LEU A 35 3.856 -15.941 -4.746 1.00 32.43 H new ATOM 0 HD23 LEU A 35 3.673 -15.645 -6.491 1.00 32.43 H new ATOM 507 N ASP A 36 8.564 -13.262 -6.706 1.00 22.10 N ATOM 508 CA ASP A 36 8.821 -11.866 -7.039 1.00 70.12 C ATOM 509 C ASP A 36 9.012 -11.692 -8.543 1.00 72.11 C ATOM 510 O ASP A 36 8.530 -10.724 -9.132 1.00 30.52 O ATOM 511 CB ASP A 36 10.056 -11.360 -6.294 1.00 24.14 C ATOM 512 CG ASP A 36 10.279 -9.873 -6.482 1.00 52.44 C ATOM 513 OD1 ASP A 36 9.327 -9.097 -6.256 1.00 32.44 O ATOM 514 OD2 ASP A 36 11.404 -9.484 -6.857 1.00 3.10 O ATOM 0 H ASP A 36 9.170 -13.640 -5.977 1.00 22.10 H new ATOM 0 HA ASP A 36 7.955 -11.280 -6.730 1.00 70.12 H new ATOM 0 HB2 ASP A 36 9.949 -11.576 -5.231 1.00 24.14 H new ATOM 0 HB3 ASP A 36 10.934 -11.903 -6.643 1.00 24.14 H new ATOM 520 N MET A 37 9.718 -12.635 -9.157 1.00 25.33 N ATOM 521 CA MET A 37 9.974 -12.586 -10.592 1.00 53.53 C ATOM 522 C MET A 37 8.699 -12.871 -11.381 1.00 55.41 C ATOM 523 O MET A 37 8.535 -12.396 -12.504 1.00 64.23 O ATOM 524 CB MET A 37 11.059 -13.593 -10.975 1.00 72.53 C ATOM 525 CG MET A 37 11.916 -13.148 -12.147 1.00 4.24 C ATOM 526 SD MET A 37 11.284 -13.732 -13.732 1.00 3.14 S ATOM 527 CE MET A 37 12.681 -13.388 -14.801 1.00 74.53 C ATOM 0 H MET A 37 10.123 -13.443 -8.684 1.00 25.33 H new ATOM 0 HA MET A 37 10.318 -11.582 -10.839 1.00 53.53 H new ATOM 0 HB2 MET A 37 11.701 -13.768 -10.112 1.00 72.53 H new ATOM 0 HB3 MET A 37 10.589 -14.545 -11.221 1.00 72.53 H new ATOM 0 HG2 MET A 37 11.969 -12.059 -12.160 1.00 4.24 H new ATOM 0 HG3 MET A 37 12.933 -13.515 -12.008 1.00 4.24 H new ATOM 0 HE1 MET A 37 12.444 -13.695 -15.820 1.00 74.53 H new ATOM 0 HE2 MET A 37 12.897 -12.320 -14.785 1.00 74.53 H new ATOM 0 HE3 MET A 37 13.553 -13.940 -14.449 1.00 74.53 H new ATOM 537 N GLN A 38 7.800 -13.647 -10.784 1.00 2.33 N ATOM 538 CA GLN A 38 6.541 -13.994 -11.432 1.00 72.33 C ATOM 539 C GLN A 38 5.578 -12.812 -11.420 1.00 10.22 C ATOM 540 O GLN A 38 4.949 -12.502 -12.432 1.00 1.24 O ATOM 541 CB GLN A 38 5.900 -15.196 -10.737 1.00 21.31 C ATOM 542 CG GLN A 38 4.491 -15.500 -11.221 1.00 44.32 C ATOM 543 CD GLN A 38 4.137 -16.969 -11.104 1.00 23.35 C ATOM 544 OE1 GLN A 38 4.025 -17.675 -12.107 1.00 4.45 O ATOM 545 NE2 GLN A 38 3.961 -17.440 -9.875 1.00 52.03 N ATOM 0 H GLN A 38 7.920 -14.047 -9.853 1.00 2.33 H new ATOM 0 HA GLN A 38 6.755 -14.254 -12.469 1.00 72.33 H new ATOM 0 HB2 GLN A 38 6.527 -16.074 -10.896 1.00 21.31 H new ATOM 0 HB3 GLN A 38 5.874 -15.013 -9.663 1.00 21.31 H new ATOM 0 HG2 GLN A 38 3.778 -14.911 -10.644 1.00 44.32 H new ATOM 0 HG3 GLN A 38 4.393 -15.189 -12.261 1.00 44.32 H new ATOM 0 HE21 GLN A 38 4.064 -16.820 -9.072 1.00 52.03 H new ATOM 0 HE22 GLN A 38 3.723 -18.422 -9.734 1.00 52.03 H new ATOM 554 N GLN A 39 5.467 -12.157 -10.269 1.00 72.21 N ATOM 555 CA GLN A 39 4.579 -11.010 -10.126 1.00 11.35 C ATOM 556 C GLN A 39 5.064 -9.837 -10.972 1.00 50.35 C ATOM 557 O GLN A 39 4.264 -9.041 -11.464 1.00 2.12 O ATOM 558 CB GLN A 39 4.485 -10.590 -8.658 1.00 3.51 C ATOM 559 CG GLN A 39 5.837 -10.325 -8.014 1.00 74.03 C ATOM 560 CD GLN A 39 5.714 -9.740 -6.621 1.00 21.24 C ATOM 561 OE1 GLN A 39 5.693 -8.521 -6.446 1.00 60.25 O ATOM 562 NE2 GLN A 39 5.632 -10.608 -5.619 1.00 64.12 N ATOM 0 H GLN A 39 5.981 -12.401 -9.422 1.00 72.21 H new ATOM 0 HA GLN A 39 3.590 -11.303 -10.477 1.00 11.35 H new ATOM 0 HB2 GLN A 39 3.874 -9.690 -8.584 1.00 3.51 H new ATOM 0 HB3 GLN A 39 3.971 -11.371 -8.097 1.00 3.51 H new ATOM 0 HG2 GLN A 39 6.401 -11.257 -7.964 1.00 74.03 H new ATOM 0 HG3 GLN A 39 6.407 -9.641 -8.643 1.00 74.03 H new ATOM 0 HE21 GLN A 39 5.653 -11.610 -5.809 1.00 64.12 H new ATOM 0 HE22 GLN A 39 5.548 -10.273 -4.659 1.00 64.12 H new ATOM 571 N ALA A 40 6.379 -9.737 -11.138 1.00 72.41 N ATOM 572 CA ALA A 40 6.971 -8.663 -11.927 1.00 75.32 C ATOM 573 C ALA A 40 6.523 -8.741 -13.382 1.00 14.43 C ATOM 574 O ALA A 40 6.535 -7.740 -14.098 1.00 51.32 O ATOM 575 CB ALA A 40 8.489 -8.716 -11.835 1.00 70.13 C ATOM 0 H ALA A 40 7.055 -10.387 -10.736 1.00 72.41 H new ATOM 0 HA ALA A 40 6.627 -7.713 -11.519 1.00 75.32 H new ATOM 0 HB1 ALA A 40 8.918 -7.909 -12.429 1.00 70.13 H new ATOM 0 HB2 ALA A 40 8.795 -8.603 -10.795 1.00 70.13 H new ATOM 0 HB3 ALA A 40 8.843 -9.674 -12.216 1.00 70.13 H new ATOM 581 N MET A 41 6.129 -9.935 -13.813 1.00 0.44 N ATOM 582 CA MET A 41 5.678 -10.141 -15.184 1.00 53.14 C ATOM 583 C MET A 41 4.218 -9.728 -15.343 1.00 41.45 C ATOM 584 O MET A 41 3.841 -9.113 -16.342 1.00 24.04 O ATOM 585 CB MET A 41 5.852 -11.607 -15.586 1.00 12.34 C ATOM 586 CG MET A 41 7.302 -12.063 -15.604 1.00 43.53 C ATOM 587 SD MET A 41 8.084 -11.824 -17.211 1.00 21.13 S ATOM 588 CE MET A 41 8.022 -13.487 -17.870 1.00 65.54 C ATOM 0 H MET A 41 6.113 -10.774 -13.233 1.00 0.44 H new ATOM 0 HA MET A 41 6.287 -9.518 -15.838 1.00 53.14 H new ATOM 0 HB2 MET A 41 5.291 -12.234 -14.894 1.00 12.34 H new ATOM 0 HB3 MET A 41 5.420 -11.758 -16.575 1.00 12.34 H new ATOM 0 HG2 MET A 41 7.861 -11.514 -14.847 1.00 43.53 H new ATOM 0 HG3 MET A 41 7.351 -13.118 -15.334 1.00 43.53 H new ATOM 0 HE1 MET A 41 8.470 -13.502 -18.863 1.00 65.54 H new ATOM 0 HE2 MET A 41 8.574 -14.159 -17.213 1.00 65.54 H new ATOM 0 HE3 MET A 41 6.984 -13.814 -17.935 1.00 65.54 H new ATOM 598 N LEU A 42 3.399 -10.070 -14.354 1.00 4.30 N ATOM 599 CA LEU A 42 1.980 -9.734 -14.385 1.00 3.12 C ATOM 600 C LEU A 42 1.769 -8.239 -14.171 1.00 54.10 C ATOM 601 O LEU A 42 0.761 -7.675 -14.600 1.00 21.43 O ATOM 602 CB LEU A 42 1.226 -10.525 -13.314 1.00 62.23 C ATOM 603 CG LEU A 42 0.948 -11.994 -13.637 1.00 60.30 C ATOM 604 CD1 LEU A 42 2.207 -12.827 -13.457 1.00 63.32 C ATOM 605 CD2 LEU A 42 -0.177 -12.529 -12.762 1.00 50.43 C ATOM 0 H LEU A 42 3.693 -10.580 -13.521 1.00 4.30 H new ATOM 0 HA LEU A 42 1.590 -10.000 -15.368 1.00 3.12 H new ATOM 0 HB2 LEU A 42 1.798 -10.479 -12.387 1.00 62.23 H new ATOM 0 HB3 LEU A 42 0.274 -10.028 -13.126 1.00 62.23 H new ATOM 0 HG LEU A 42 0.636 -12.064 -14.679 1.00 60.30 H new ATOM 0 HD11 LEU A 42 1.990 -13.869 -13.691 1.00 63.32 H new ATOM 0 HD12 LEU A 42 2.985 -12.459 -14.126 1.00 63.32 H new ATOM 0 HD13 LEU A 42 2.549 -12.751 -12.425 1.00 63.32 H new ATOM 0 HD21 LEU A 42 -0.361 -13.575 -13.006 1.00 50.43 H new ATOM 0 HD22 LEU A 42 0.107 -12.445 -11.713 1.00 50.43 H new ATOM 0 HD23 LEU A 42 -1.083 -11.950 -12.940 1.00 50.43 H new ATOM 617 N THR A 43 2.727 -7.600 -13.507 1.00 24.20 N ATOM 618 CA THR A 43 2.648 -6.170 -13.237 1.00 41.04 C ATOM 619 C THR A 43 3.508 -5.377 -14.215 1.00 73.44 C ATOM 620 O THR A 43 4.114 -4.371 -13.848 1.00 72.15 O ATOM 621 CB THR A 43 3.091 -5.844 -11.800 1.00 33.25 C ATOM 622 OG1 THR A 43 2.853 -4.461 -11.514 1.00 41.32 O ATOM 623 CG2 THR A 43 4.566 -6.160 -11.603 1.00 40.23 C ATOM 0 H THR A 43 3.568 -8.051 -13.146 1.00 24.20 H new ATOM 0 HA THR A 43 1.604 -5.883 -13.361 1.00 41.04 H new ATOM 0 HB THR A 43 2.508 -6.461 -11.116 1.00 33.25 H new ATOM 0 HG1 THR A 43 3.274 -3.907 -12.204 1.00 41.32 H new ATOM 0 HG21 THR A 43 4.856 -5.921 -10.580 1.00 40.23 H new ATOM 0 HG22 THR A 43 4.739 -7.219 -11.791 1.00 40.23 H new ATOM 0 HG23 THR A 43 5.161 -5.566 -12.297 1.00 40.23 H new ATOM 631 N ASN A 44 3.557 -5.837 -15.461 1.00 70.12 N ATOM 632 CA ASN A 44 4.345 -5.170 -16.491 1.00 74.01 C ATOM 633 C ASN A 44 3.972 -3.693 -16.589 1.00 23.44 C ATOM 634 O ASN A 44 2.839 -3.348 -16.920 1.00 10.33 O ATOM 635 CB ASN A 44 4.133 -5.851 -17.845 1.00 63.14 C ATOM 636 CG ASN A 44 5.269 -5.580 -18.812 1.00 70.42 C ATOM 637 OD1 ASN A 44 5.053 -5.088 -19.919 1.00 12.11 O ATOM 638 ND2 ASN A 44 6.488 -5.904 -18.397 1.00 21.44 N ATOM 0 H ASN A 44 3.061 -6.668 -15.782 1.00 70.12 H new ATOM 0 HA ASN A 44 5.397 -5.244 -16.215 1.00 74.01 H new ATOM 0 HB2 ASN A 44 4.035 -6.926 -17.696 1.00 63.14 H new ATOM 0 HB3 ASN A 44 3.197 -5.503 -18.281 1.00 63.14 H new ATOM 0 HD21 ASN A 44 7.292 -5.747 -19.005 1.00 21.44 H new ATOM 0 HD22 ASN A 44 6.620 -6.310 -17.471 1.00 21.44 H new ATOM 645 N LYS A 45 4.937 -2.826 -16.298 1.00 42.44 N ATOM 646 CA LYS A 45 4.713 -1.387 -16.355 1.00 12.00 C ATOM 647 C LYS A 45 4.711 -0.892 -17.798 1.00 34.11 C ATOM 648 O LYS A 45 5.493 -1.360 -18.625 1.00 64.34 O ATOM 649 CB LYS A 45 5.790 -0.651 -15.554 1.00 13.23 C ATOM 650 CG LYS A 45 5.496 -0.573 -14.066 1.00 71.43 C ATOM 651 CD LYS A 45 5.977 -1.816 -13.337 1.00 73.22 C ATOM 652 CE LYS A 45 7.409 -1.657 -12.850 1.00 30.20 C ATOM 653 NZ LYS A 45 7.918 -2.902 -12.210 1.00 20.15 N ATOM 0 H LYS A 45 5.881 -3.095 -16.021 1.00 42.44 H new ATOM 0 HA LYS A 45 3.737 -1.179 -15.917 1.00 12.00 H new ATOM 0 HB2 LYS A 45 6.746 -1.153 -15.701 1.00 13.23 H new ATOM 0 HB3 LYS A 45 5.897 0.360 -15.948 1.00 13.23 H new ATOM 0 HG2 LYS A 45 5.980 0.308 -13.644 1.00 71.43 H new ATOM 0 HG3 LYS A 45 4.424 -0.452 -13.912 1.00 71.43 H new ATOM 0 HD2 LYS A 45 5.323 -2.017 -12.488 1.00 73.22 H new ATOM 0 HD3 LYS A 45 5.911 -2.677 -14.002 1.00 73.22 H new ATOM 0 HE2 LYS A 45 8.051 -1.392 -13.690 1.00 30.20 H new ATOM 0 HE3 LYS A 45 7.461 -0.834 -12.137 1.00 30.20 H new ATOM 0 HZ1 LYS A 45 8.897 -2.753 -11.891 1.00 20.15 H new ATOM 0 HZ2 LYS A 45 7.321 -3.142 -11.393 1.00 20.15 H new ATOM 0 HZ3 LYS A 45 7.892 -3.681 -12.898 1.00 20.15 H new ATOM 667 N ASP A 46 3.828 0.056 -18.092 1.00 34.12 N ATOM 668 CA ASP A 46 3.726 0.615 -19.435 1.00 2.34 C ATOM 669 C ASP A 46 3.466 2.118 -19.379 1.00 71.53 C ATOM 670 O ASP A 46 3.166 2.666 -18.318 1.00 44.44 O ATOM 671 CB ASP A 46 2.611 -0.079 -20.217 1.00 65.32 C ATOM 672 CG ASP A 46 2.826 -1.576 -20.325 1.00 64.22 C ATOM 673 OD1 ASP A 46 2.068 -2.333 -19.682 1.00 32.01 O ATOM 674 OD2 ASP A 46 3.752 -1.992 -21.053 1.00 53.50 O ATOM 0 H ASP A 46 3.173 0.453 -17.419 1.00 34.12 H new ATOM 0 HA ASP A 46 4.675 0.447 -19.945 1.00 2.34 H new ATOM 0 HB2 ASP A 46 1.655 0.114 -19.730 1.00 65.32 H new ATOM 0 HB3 ASP A 46 2.551 0.350 -21.217 1.00 65.32 H new ATOM 680 N GLU A 47 3.582 2.777 -20.528 1.00 64.25 N ATOM 681 CA GLU A 47 3.360 4.215 -20.608 1.00 61.00 C ATOM 682 C GLU A 47 1.912 4.562 -20.276 1.00 1.11 C ATOM 683 O GLU A 47 1.644 5.393 -19.408 1.00 13.11 O ATOM 684 CB GLU A 47 3.711 4.730 -22.006 1.00 4.22 C ATOM 685 CG GLU A 47 5.027 4.191 -22.540 1.00 3.02 C ATOM 686 CD GLU A 47 5.491 4.916 -23.790 1.00 70.20 C ATOM 687 OE1 GLU A 47 4.918 4.661 -24.869 1.00 63.20 O ATOM 688 OE2 GLU A 47 6.426 5.737 -23.688 1.00 75.31 O ATOM 0 H GLU A 47 3.828 2.338 -21.415 1.00 64.25 H new ATOM 0 HA GLU A 47 4.008 4.698 -19.876 1.00 61.00 H new ATOM 0 HB2 GLU A 47 2.911 4.460 -22.695 1.00 4.22 H new ATOM 0 HB3 GLU A 47 3.757 5.819 -21.982 1.00 4.22 H new ATOM 0 HG2 GLU A 47 5.792 4.280 -21.768 1.00 3.02 H new ATOM 0 HG3 GLU A 47 4.918 3.129 -22.760 1.00 3.02 H new ATOM 696 N LYS A 48 0.981 3.920 -20.972 1.00 61.14 N ATOM 697 CA LYS A 48 -0.441 4.159 -20.752 1.00 25.31 C ATOM 698 C LYS A 48 -0.805 3.960 -19.285 1.00 21.31 C ATOM 699 O LYS A 48 -1.693 4.630 -18.759 1.00 11.24 O ATOM 700 CB LYS A 48 -1.277 3.222 -21.628 1.00 30.13 C ATOM 701 CG LYS A 48 -0.905 1.757 -21.480 1.00 10.14 C ATOM 702 CD LYS A 48 0.007 1.297 -22.605 1.00 42.22 C ATOM 703 CE LYS A 48 -0.591 0.123 -23.363 1.00 72.43 C ATOM 704 NZ LYS A 48 0.459 -0.727 -23.989 1.00 70.15 N ATOM 0 H LYS A 48 1.185 3.229 -21.694 1.00 61.14 H new ATOM 0 HA LYS A 48 -0.658 5.192 -21.025 1.00 25.31 H new ATOM 0 HB2 LYS A 48 -2.330 3.348 -21.377 1.00 30.13 H new ATOM 0 HB3 LYS A 48 -1.161 3.514 -22.672 1.00 30.13 H new ATOM 0 HG2 LYS A 48 -0.409 1.602 -20.522 1.00 10.14 H new ATOM 0 HG3 LYS A 48 -1.810 1.150 -21.473 1.00 10.14 H new ATOM 0 HD2 LYS A 48 0.183 2.124 -23.293 1.00 42.22 H new ATOM 0 HD3 LYS A 48 0.976 1.011 -22.195 1.00 42.22 H new ATOM 0 HE2 LYS A 48 -1.189 -0.482 -22.682 1.00 72.43 H new ATOM 0 HE3 LYS A 48 -1.265 0.495 -24.135 1.00 72.43 H new ATOM 0 HZ1 LYS A 48 0.010 -1.516 -24.496 1.00 70.15 H new ATOM 0 HZ2 LYS A 48 1.014 -0.156 -24.658 1.00 70.15 H new ATOM 0 HZ3 LYS A 48 1.087 -1.103 -23.250 1.00 70.15 H new ATOM 718 N VAL A 49 -0.112 3.035 -18.627 1.00 1.21 N ATOM 719 CA VAL A 49 -0.361 2.750 -17.219 1.00 4.33 C ATOM 720 C VAL A 49 -0.113 3.982 -16.357 1.00 10.42 C ATOM 721 O VAL A 49 -0.744 4.162 -15.314 1.00 43.24 O ATOM 722 CB VAL A 49 0.529 1.597 -16.714 1.00 53.43 C ATOM 723 CG1 VAL A 49 0.294 1.353 -15.231 1.00 41.43 C ATOM 724 CG2 VAL A 49 0.268 0.333 -17.520 1.00 22.11 C ATOM 0 H VAL A 49 0.626 2.470 -19.047 1.00 1.21 H new ATOM 0 HA VAL A 49 -1.407 2.456 -17.136 1.00 4.33 H new ATOM 0 HB VAL A 49 1.573 1.878 -16.850 1.00 53.43 H new ATOM 0 HG11 VAL A 49 0.930 0.536 -14.891 1.00 41.43 H new ATOM 0 HG12 VAL A 49 0.534 2.257 -14.671 1.00 41.43 H new ATOM 0 HG13 VAL A 49 -0.751 1.091 -15.066 1.00 41.43 H new ATOM 0 HG21 VAL A 49 0.904 -0.472 -17.151 1.00 22.11 H new ATOM 0 HG22 VAL A 49 -0.778 0.045 -17.416 1.00 22.11 H new ATOM 0 HG23 VAL A 49 0.491 0.519 -18.571 1.00 22.11 H new ATOM 734 N LEU A 50 0.809 4.831 -16.798 1.00 43.14 N ATOM 735 CA LEU A 50 1.140 6.049 -16.067 1.00 41.54 C ATOM 736 C LEU A 50 -0.024 7.035 -16.096 1.00 12.31 C ATOM 737 O LEU A 50 -0.131 7.913 -15.239 1.00 24.14 O ATOM 738 CB LEU A 50 2.390 6.701 -16.662 1.00 44.13 C ATOM 739 CG LEU A 50 3.612 5.795 -16.814 1.00 23.33 C ATOM 740 CD1 LEU A 50 4.696 6.490 -17.623 1.00 34.33 C ATOM 741 CD2 LEU A 50 4.144 5.384 -15.448 1.00 54.15 C ATOM 0 H LEU A 50 1.341 4.698 -17.658 1.00 43.14 H new ATOM 0 HA LEU A 50 1.337 5.778 -15.030 1.00 41.54 H new ATOM 0 HB2 LEU A 50 2.135 7.101 -17.643 1.00 44.13 H new ATOM 0 HB3 LEU A 50 2.667 7.548 -16.035 1.00 44.13 H new ATOM 0 HG LEU A 50 3.309 4.896 -17.350 1.00 23.33 H new ATOM 0 HD11 LEU A 50 5.557 5.829 -17.720 1.00 34.33 H new ATOM 0 HD12 LEU A 50 4.311 6.733 -18.614 1.00 34.33 H new ATOM 0 HD13 LEU A 50 4.997 7.407 -17.116 1.00 34.33 H new ATOM 0 HD21 LEU A 50 5.014 4.739 -15.575 1.00 54.15 H new ATOM 0 HD22 LEU A 50 4.430 6.273 -14.886 1.00 54.15 H new ATOM 0 HD23 LEU A 50 3.369 4.845 -14.903 1.00 54.15 H new ATOM 753 N LYS A 51 -0.896 6.884 -17.087 1.00 74.43 N ATOM 754 CA LYS A 51 -2.055 7.757 -17.227 1.00 15.20 C ATOM 755 C LYS A 51 -3.081 7.479 -16.134 1.00 30.43 C ATOM 756 O LYS A 51 -3.702 8.400 -15.603 1.00 41.13 O ATOM 757 CB LYS A 51 -2.697 7.571 -18.602 1.00 44.45 C ATOM 758 CG LYS A 51 -1.778 7.930 -19.758 1.00 25.42 C ATOM 759 CD LYS A 51 -1.860 9.408 -20.098 1.00 31.24 C ATOM 760 CE LYS A 51 -0.703 9.841 -20.986 1.00 74.52 C ATOM 761 NZ LYS A 51 -0.627 11.323 -21.114 1.00 72.11 N ATOM 0 H LYS A 51 -0.822 6.164 -17.806 1.00 74.43 H new ATOM 0 HA LYS A 51 -1.715 8.788 -17.128 1.00 15.20 H new ATOM 0 HB2 LYS A 51 -3.012 6.533 -18.709 1.00 44.45 H new ATOM 0 HB3 LYS A 51 -3.596 8.185 -18.660 1.00 44.45 H new ATOM 0 HG2 LYS A 51 -0.751 7.671 -19.501 1.00 25.42 H new ATOM 0 HG3 LYS A 51 -2.046 7.339 -20.634 1.00 25.42 H new ATOM 0 HD2 LYS A 51 -2.804 9.615 -20.602 1.00 31.24 H new ATOM 0 HD3 LYS A 51 -1.854 9.995 -19.179 1.00 31.24 H new ATOM 0 HE2 LYS A 51 0.233 9.464 -20.573 1.00 74.52 H new ATOM 0 HE3 LYS A 51 -0.818 9.396 -21.975 1.00 74.52 H new ATOM 0 HZ1 LYS A 51 0.174 11.578 -21.727 1.00 72.11 H new ATOM 0 HZ2 LYS A 51 -1.510 11.681 -21.531 1.00 72.11 H new ATOM 0 HZ3 LYS A 51 -0.492 11.746 -20.174 1.00 72.11 H new ATOM 775 N ALA A 52 -3.253 6.205 -15.799 1.00 22.33 N ATOM 776 CA ALA A 52 -4.201 5.806 -14.766 1.00 23.23 C ATOM 777 C ALA A 52 -3.792 6.357 -13.404 1.00 22.43 C ATOM 778 O ALA A 52 -4.626 6.860 -12.650 1.00 62.40 O ATOM 779 CB ALA A 52 -4.316 4.290 -14.711 1.00 45.10 C ATOM 0 H ALA A 52 -2.747 5.430 -16.229 1.00 22.33 H new ATOM 0 HA ALA A 52 -5.175 6.224 -15.021 1.00 23.23 H new ATOM 0 HB1 ALA A 52 -5.027 4.007 -13.935 1.00 45.10 H new ATOM 0 HB2 ALA A 52 -4.662 3.916 -15.675 1.00 45.10 H new ATOM 0 HB3 ALA A 52 -3.341 3.859 -14.484 1.00 45.10 H new ATOM 785 N LEU A 53 -2.504 6.258 -13.093 1.00 42.11 N ATOM 786 CA LEU A 53 -1.984 6.747 -11.821 1.00 24.32 C ATOM 787 C LEU A 53 -2.299 8.227 -11.636 1.00 3.43 C ATOM 788 O LEU A 53 -2.336 8.728 -10.512 1.00 41.04 O ATOM 789 CB LEU A 53 -0.473 6.521 -11.744 1.00 2.33 C ATOM 790 CG LEU A 53 0.002 5.080 -11.933 1.00 71.44 C ATOM 791 CD1 LEU A 53 1.510 5.034 -12.117 1.00 44.34 C ATOM 792 CD2 LEU A 53 -0.420 4.221 -10.749 1.00 24.14 C ATOM 0 H LEU A 53 -1.801 5.843 -13.704 1.00 42.11 H new ATOM 0 HA LEU A 53 -2.469 6.189 -11.020 1.00 24.32 H new ATOM 0 HB2 LEU A 53 0.006 7.142 -12.501 1.00 2.33 H new ATOM 0 HB3 LEU A 53 -0.122 6.873 -10.774 1.00 2.33 H new ATOM 0 HG LEU A 53 -0.464 4.679 -12.833 1.00 71.44 H new ATOM 0 HD11 LEU A 53 1.829 4.000 -12.250 1.00 44.34 H new ATOM 0 HD12 LEU A 53 1.787 5.615 -12.996 1.00 44.34 H new ATOM 0 HD13 LEU A 53 1.997 5.454 -11.237 1.00 44.34 H new ATOM 0 HD21 LEU A 53 -0.074 3.198 -10.900 1.00 24.14 H new ATOM 0 HD22 LEU A 53 0.018 4.621 -9.835 1.00 24.14 H new ATOM 0 HD23 LEU A 53 -1.507 4.227 -10.664 1.00 24.14 H new ATOM 804 N GLU A 54 -2.527 8.922 -12.746 1.00 1.21 N ATOM 805 CA GLU A 54 -2.841 10.346 -12.706 1.00 24.41 C ATOM 806 C GLU A 54 -4.183 10.587 -12.022 1.00 54.31 C ATOM 807 O GLU A 54 -4.327 11.514 -11.223 1.00 44.44 O ATOM 808 CB GLU A 54 -2.864 10.926 -14.122 1.00 32.52 C ATOM 809 CG GLU A 54 -1.605 10.635 -14.920 1.00 20.42 C ATOM 810 CD GLU A 54 -1.409 11.600 -16.073 1.00 61.11 C ATOM 811 OE1 GLU A 54 -2.263 11.615 -16.984 1.00 12.12 O ATOM 812 OE2 GLU A 54 -0.404 12.339 -16.064 1.00 2.14 O ATOM 0 H GLU A 54 -2.500 8.522 -13.684 1.00 1.21 H new ATOM 0 HA GLU A 54 -2.064 10.848 -12.129 1.00 24.41 H new ATOM 0 HB2 GLU A 54 -3.724 10.523 -14.657 1.00 32.52 H new ATOM 0 HB3 GLU A 54 -3.004 12.005 -14.061 1.00 32.52 H new ATOM 0 HG2 GLU A 54 -0.740 10.685 -14.258 1.00 20.42 H new ATOM 0 HG3 GLU A 54 -1.652 9.617 -15.307 1.00 20.42 H new ATOM 820 N ARG A 55 -5.163 9.749 -12.342 1.00 1.04 N ATOM 821 CA ARG A 55 -6.494 9.872 -11.761 1.00 73.34 C ATOM 822 C ARG A 55 -6.518 9.329 -10.335 1.00 3.11 C ATOM 823 O ARG A 55 -7.257 9.822 -9.483 1.00 71.35 O ATOM 824 CB ARG A 55 -7.520 9.128 -12.618 1.00 24.23 C ATOM 825 CG ARG A 55 -8.872 8.964 -11.945 1.00 73.23 C ATOM 826 CD ARG A 55 -9.475 10.309 -11.571 1.00 15.31 C ATOM 827 NE ARG A 55 -10.874 10.414 -11.977 1.00 15.43 N ATOM 828 CZ ARG A 55 -11.602 11.515 -11.827 1.00 33.52 C ATOM 829 NH1 ARG A 55 -11.067 12.598 -11.282 1.00 15.15 N ATOM 830 NH2 ARG A 55 -12.869 11.533 -12.220 1.00 63.35 N ATOM 0 H ARG A 55 -5.060 8.977 -13.001 1.00 1.04 H new ATOM 0 HA ARG A 55 -6.753 10.930 -11.733 1.00 73.34 H new ATOM 0 HB2 ARG A 55 -7.654 9.665 -13.557 1.00 24.23 H new ATOM 0 HB3 ARG A 55 -7.126 8.143 -12.868 1.00 24.23 H new ATOM 0 HG2 ARG A 55 -9.550 8.433 -12.613 1.00 73.23 H new ATOM 0 HG3 ARG A 55 -8.762 8.352 -11.050 1.00 73.23 H new ATOM 0 HD2 ARG A 55 -9.399 10.453 -10.493 1.00 15.31 H new ATOM 0 HD3 ARG A 55 -8.900 11.107 -12.041 1.00 15.31 H new ATOM 0 HE ARG A 55 -11.316 9.597 -12.399 1.00 15.43 H new ATOM 0 HH11 ARG A 55 -10.094 12.588 -10.976 1.00 15.15 H new ATOM 0 HH12 ARG A 55 -11.628 13.442 -11.168 1.00 15.15 H new ATOM 0 HH21 ARG A 55 -13.285 10.701 -12.638 1.00 63.35 H new ATOM 0 HH22 ARG A 55 -13.427 12.379 -12.104 1.00 63.35 H new ATOM 844 N THR A 56 -5.703 8.309 -10.082 1.00 1.55 N ATOM 845 CA THR A 56 -5.631 7.698 -8.761 1.00 24.31 C ATOM 846 C THR A 56 -4.891 8.598 -7.778 1.00 42.42 C ATOM 847 O THR A 56 -5.348 8.815 -6.656 1.00 73.01 O ATOM 848 CB THR A 56 -4.928 6.328 -8.814 1.00 33.45 C ATOM 849 OG1 THR A 56 -3.517 6.508 -8.982 1.00 63.05 O ATOM 850 CG2 THR A 56 -5.477 5.482 -9.952 1.00 2.33 C ATOM 0 H THR A 56 -5.084 7.889 -10.775 1.00 1.55 H new ATOM 0 HA THR A 56 -6.657 7.559 -8.421 1.00 24.31 H new ATOM 0 HB THR A 56 -5.118 5.810 -7.874 1.00 33.45 H new ATOM 0 HG1 THR A 56 -3.044 6.109 -8.222 1.00 63.05 H new ATOM 0 HG21 THR A 56 -4.966 4.520 -9.969 1.00 2.33 H new ATOM 0 HG22 THR A 56 -6.545 5.323 -9.804 1.00 2.33 H new ATOM 0 HG23 THR A 56 -5.314 5.996 -10.899 1.00 2.33 H new ATOM 858 N ARG A 57 -3.747 9.120 -8.206 1.00 3.55 N ATOM 859 CA ARG A 57 -2.944 9.998 -7.363 1.00 71.43 C ATOM 860 C ARG A 57 -3.773 11.175 -6.859 1.00 63.34 C ATOM 861 O ARG A 57 -3.489 11.738 -5.802 1.00 11.32 O ATOM 862 CB ARG A 57 -1.727 10.510 -8.135 1.00 44.54 C ATOM 863 CG ARG A 57 -2.078 11.492 -9.241 1.00 0.21 C ATOM 864 CD ARG A 57 -0.856 12.269 -9.705 1.00 21.43 C ATOM 865 NE ARG A 57 0.221 11.385 -10.143 1.00 50.45 N ATOM 866 CZ ARG A 57 1.454 11.803 -10.407 1.00 33.31 C ATOM 867 NH1 ARG A 57 1.765 13.085 -10.276 1.00 60.10 N ATOM 868 NH2 ARG A 57 2.379 10.937 -10.801 1.00 11.13 N ATOM 0 H ARG A 57 -3.355 8.950 -9.132 1.00 3.55 H new ATOM 0 HA ARG A 57 -2.603 9.422 -6.503 1.00 71.43 H new ATOM 0 HB2 ARG A 57 -1.041 10.991 -7.438 1.00 44.54 H new ATOM 0 HB3 ARG A 57 -1.198 9.661 -8.568 1.00 44.54 H new ATOM 0 HG2 ARG A 57 -2.509 10.953 -10.084 1.00 0.21 H new ATOM 0 HG3 ARG A 57 -2.838 12.187 -8.884 1.00 0.21 H new ATOM 0 HD2 ARG A 57 -1.137 12.931 -10.524 1.00 21.43 H new ATOM 0 HD3 ARG A 57 -0.498 12.901 -8.892 1.00 21.43 H new ATOM 0 HE ARG A 57 0.015 10.392 -10.252 1.00 50.45 H new ATOM 0 HH11 ARG A 57 1.057 13.753 -9.972 1.00 60.10 H new ATOM 0 HH12 ARG A 57 2.712 13.403 -10.479 1.00 60.10 H new ATOM 0 HH21 ARG A 57 2.143 9.950 -10.901 1.00 11.13 H new ATOM 0 HH22 ARG A 57 3.326 11.259 -11.004 1.00 11.13 H new ATOM 882 N GLN A 58 -4.798 11.542 -7.622 1.00 25.50 N ATOM 883 CA GLN A 58 -5.666 12.652 -7.253 1.00 42.54 C ATOM 884 C GLN A 58 -6.409 12.354 -5.955 1.00 71.20 C ATOM 885 O GLN A 58 -6.566 13.229 -5.102 1.00 72.42 O ATOM 886 CB GLN A 58 -6.667 12.939 -8.374 1.00 20.30 C ATOM 887 CG GLN A 58 -6.062 13.676 -9.557 1.00 23.11 C ATOM 888 CD GLN A 58 -5.704 15.112 -9.229 1.00 42.24 C ATOM 889 OE1 GLN A 58 -4.515 15.316 -8.675 1.00 55.30 O flip ATOM 890 NE2 GLN A 58 -6.489 16.029 -9.471 1.00 64.31 N flip ATOM 0 H GLN A 58 -5.047 11.086 -8.500 1.00 25.50 H new ATOM 0 HA GLN A 58 -5.042 13.532 -7.099 1.00 42.54 H new ATOM 0 HB2 GLN A 58 -7.090 11.997 -8.722 1.00 20.30 H new ATOM 0 HB3 GLN A 58 -7.491 13.529 -7.972 1.00 20.30 H new ATOM 0 HG2 GLN A 58 -5.167 13.149 -9.889 1.00 23.11 H new ATOM 0 HG3 GLN A 58 -6.767 13.662 -10.388 1.00 23.11 H new ATOM 0 HE21 GLN A 58 -7.393 15.827 -9.898 1.00 64.31 H new ATOM 0 HE22 GLN A 58 -6.235 16.991 -9.245 1.00 64.31 H new ATOM 899 N LEU A 59 -6.865 11.115 -5.812 1.00 32.32 N ATOM 900 CA LEU A 59 -7.593 10.701 -4.617 1.00 32.10 C ATOM 901 C LEU A 59 -6.644 10.108 -3.580 1.00 73.43 C ATOM 902 O LEU A 59 -7.074 9.437 -2.642 1.00 70.44 O ATOM 903 CB LEU A 59 -8.672 9.679 -4.981 1.00 3.24 C ATOM 904 CG LEU A 59 -9.529 10.014 -6.202 1.00 22.21 C ATOM 905 CD1 LEU A 59 -9.475 8.884 -7.218 1.00 41.41 C ATOM 906 CD2 LEU A 59 -10.965 10.291 -5.785 1.00 73.34 C ATOM 0 H LEU A 59 -6.744 10.379 -6.508 1.00 32.32 H new ATOM 0 HA LEU A 59 -8.067 11.583 -4.187 1.00 32.10 H new ATOM 0 HB2 LEU A 59 -8.189 8.717 -5.154 1.00 3.24 H new ATOM 0 HB3 LEU A 59 -9.332 9.555 -4.122 1.00 3.24 H new ATOM 0 HG LEU A 59 -9.127 10.914 -6.669 1.00 22.21 H new ATOM 0 HD11 LEU A 59 -10.091 9.140 -8.080 1.00 41.41 H new ATOM 0 HD12 LEU A 59 -8.445 8.733 -7.540 1.00 41.41 H new ATOM 0 HD13 LEU A 59 -9.851 7.967 -6.763 1.00 41.41 H new ATOM 0 HD21 LEU A 59 -11.561 10.528 -6.667 1.00 73.34 H new ATOM 0 HD22 LEU A 59 -11.378 9.410 -5.294 1.00 73.34 H new ATOM 0 HD23 LEU A 59 -10.987 11.134 -5.095 1.00 73.34 H new ATOM 918 N ASP A 60 -5.352 10.363 -3.753 1.00 51.31 N ATOM 919 CA ASP A 60 -4.342 9.857 -2.831 1.00 13.13 C ATOM 920 C ASP A 60 -4.285 8.333 -2.869 1.00 1.23 C ATOM 921 O ASP A 60 -4.759 7.662 -1.953 1.00 21.31 O ATOM 922 CB ASP A 60 -4.638 10.333 -1.407 1.00 23.11 C ATOM 923 CG ASP A 60 -5.127 11.768 -1.366 1.00 32.32 C ATOM 924 OD1 ASP A 60 -6.055 12.056 -0.582 1.00 73.40 O ATOM 925 OD2 ASP A 60 -4.582 12.602 -2.118 1.00 42.31 O ATOM 0 H ASP A 60 -4.979 10.917 -4.524 1.00 51.31 H new ATOM 0 HA ASP A 60 -3.373 10.246 -3.143 1.00 13.13 H new ATOM 0 HB2 ASP A 60 -5.390 9.683 -0.959 1.00 23.11 H new ATOM 0 HB3 ASP A 60 -3.736 10.242 -0.802 1.00 23.11 H new ATOM 931 N ILE A 61 -3.703 7.795 -3.936 1.00 14.14 N ATOM 932 CA ILE A 61 -3.584 6.351 -4.093 1.00 3.22 C ATOM 933 C ILE A 61 -2.186 5.963 -4.563 1.00 40.52 C ATOM 934 O ILE A 61 -1.737 6.350 -5.642 1.00 14.42 O ATOM 935 CB ILE A 61 -4.620 5.807 -5.095 1.00 1.42 C ATOM 936 CG1 ILE A 61 -5.991 6.433 -4.834 1.00 51.22 C ATOM 937 CG2 ILE A 61 -4.699 4.290 -5.004 1.00 1.11 C ATOM 938 CD1 ILE A 61 -7.036 6.048 -5.858 1.00 52.22 C ATOM 0 H ILE A 61 -3.307 8.337 -4.704 1.00 14.14 H new ATOM 0 HA ILE A 61 -3.771 5.910 -3.114 1.00 3.22 H new ATOM 0 HB ILE A 61 -4.304 6.075 -6.103 1.00 1.42 H new ATOM 0 HG12 ILE A 61 -6.336 6.133 -3.844 1.00 51.22 H new ATOM 0 HG13 ILE A 61 -5.889 7.518 -4.821 1.00 51.22 H new ATOM 0 HG21 ILE A 61 -5.435 3.921 -5.718 1.00 1.11 H new ATOM 0 HG22 ILE A 61 -3.724 3.860 -5.233 1.00 1.11 H new ATOM 0 HG23 ILE A 61 -4.995 4.001 -3.996 1.00 1.11 H new ATOM 0 HD11 ILE A 61 -7.983 6.528 -5.610 1.00 52.22 H new ATOM 0 HD12 ILE A 61 -6.713 6.372 -6.847 1.00 52.22 H new ATOM 0 HD13 ILE A 61 -7.166 4.966 -5.856 1.00 52.22 H new ATOM 950 N PRO A 62 -1.481 5.176 -3.736 1.00 54.54 N ATOM 951 CA PRO A 62 -0.125 4.715 -4.047 1.00 15.52 C ATOM 952 C PRO A 62 -0.103 3.703 -5.186 1.00 63.41 C ATOM 953 O PRO A 62 -0.930 2.792 -5.235 1.00 20.31 O ATOM 954 CB PRO A 62 0.336 4.062 -2.741 1.00 50.53 C ATOM 955 CG PRO A 62 -0.923 3.648 -2.061 1.00 41.43 C ATOM 956 CD PRO A 62 -1.954 4.677 -2.434 1.00 43.41 C ATOM 0 HA PRO A 62 0.516 5.531 -4.381 1.00 15.52 H new ATOM 0 HB2 PRO A 62 0.983 3.206 -2.933 1.00 50.53 H new ATOM 0 HB3 PRO A 62 0.906 4.761 -2.128 1.00 50.53 H new ATOM 0 HG2 PRO A 62 -1.231 2.653 -2.382 1.00 41.43 H new ATOM 0 HG3 PRO A 62 -0.787 3.606 -0.980 1.00 41.43 H new ATOM 0 HD2 PRO A 62 -2.950 4.240 -2.509 1.00 43.41 H new ATOM 0 HD3 PRO A 62 -2.011 5.475 -1.694 1.00 43.41 H new ATOM 964 N ASP A 63 0.847 3.867 -6.099 1.00 42.13 N ATOM 965 CA ASP A 63 0.977 2.965 -7.239 1.00 33.01 C ATOM 966 C ASP A 63 1.161 1.525 -6.773 1.00 32.32 C ATOM 967 O ASP A 63 0.927 0.583 -7.529 1.00 51.24 O ATOM 968 CB ASP A 63 2.157 3.385 -8.116 1.00 54.22 C ATOM 969 CG ASP A 63 3.346 3.855 -7.302 1.00 20.32 C ATOM 970 OD1 ASP A 63 3.354 5.033 -6.888 1.00 11.22 O ATOM 971 OD2 ASP A 63 4.268 3.043 -7.078 1.00 2.13 O ATOM 0 H ASP A 63 1.539 4.616 -6.073 1.00 42.13 H new ATOM 0 HA ASP A 63 0.060 3.024 -7.825 1.00 33.01 H new ATOM 0 HB2 ASP A 63 2.458 2.545 -8.741 1.00 54.22 H new ATOM 0 HB3 ASP A 63 1.841 4.184 -8.787 1.00 54.22 H new ATOM 977 N GLU A 64 1.581 1.361 -5.522 1.00 5.14 N ATOM 978 CA GLU A 64 1.798 0.035 -4.957 1.00 30.44 C ATOM 979 C GLU A 64 0.501 -0.768 -4.939 1.00 32.35 C ATOM 980 O GLU A 64 0.513 -1.992 -5.065 1.00 74.25 O ATOM 981 CB GLU A 64 2.362 0.147 -3.539 1.00 23.32 C ATOM 982 CG GLU A 64 3.504 1.142 -3.414 1.00 72.30 C ATOM 983 CD GLU A 64 4.170 1.097 -2.052 1.00 52.31 C ATOM 984 OE1 GLU A 64 4.302 -0.011 -1.493 1.00 32.13 O ATOM 985 OE2 GLU A 64 4.560 2.171 -1.547 1.00 34.11 O ATOM 0 H GLU A 64 1.778 2.130 -4.881 1.00 5.14 H new ATOM 0 HA GLU A 64 2.519 -0.487 -5.587 1.00 30.44 H new ATOM 0 HB2 GLU A 64 1.561 0.440 -2.861 1.00 23.32 H new ATOM 0 HB3 GLU A 64 2.710 -0.835 -3.217 1.00 23.32 H new ATOM 0 HG2 GLU A 64 4.247 0.936 -4.185 1.00 72.30 H new ATOM 0 HG3 GLU A 64 3.126 2.148 -3.597 1.00 72.30 H new ATOM 993 N LYS A 65 -0.617 -0.068 -4.779 1.00 51.23 N ATOM 994 CA LYS A 65 -1.925 -0.713 -4.745 1.00 4.40 C ATOM 995 C LYS A 65 -2.673 -0.498 -6.057 1.00 71.11 C ATOM 996 O LYS A 65 -3.495 -1.322 -6.458 1.00 53.04 O ATOM 997 CB LYS A 65 -2.753 -0.171 -3.578 1.00 15.40 C ATOM 998 CG LYS A 65 -3.486 1.121 -3.902 1.00 32.40 C ATOM 999 CD LYS A 65 -3.942 1.834 -2.640 1.00 21.55 C ATOM 1000 CE LYS A 65 -5.007 1.038 -1.902 1.00 44.25 C ATOM 1001 NZ LYS A 65 -5.084 1.413 -0.463 1.00 43.43 N ATOM 0 H LYS A 65 -0.644 0.946 -4.671 1.00 51.23 H new ATOM 0 HA LYS A 65 -1.771 -1.783 -4.607 1.00 4.40 H new ATOM 0 HB2 LYS A 65 -3.480 -0.926 -3.277 1.00 15.40 H new ATOM 0 HB3 LYS A 65 -2.096 -0.003 -2.724 1.00 15.40 H new ATOM 0 HG2 LYS A 65 -2.832 1.777 -4.476 1.00 32.40 H new ATOM 0 HG3 LYS A 65 -4.350 0.903 -4.530 1.00 32.40 H new ATOM 0 HD2 LYS A 65 -3.087 1.995 -1.983 1.00 21.55 H new ATOM 0 HD3 LYS A 65 -4.335 2.817 -2.899 1.00 21.55 H new ATOM 0 HE2 LYS A 65 -5.976 1.205 -2.373 1.00 44.25 H new ATOM 0 HE3 LYS A 65 -4.789 -0.027 -1.988 1.00 44.25 H new ATOM 0 HZ1 LYS A 65 -5.277 0.565 0.107 1.00 43.43 H new ATOM 0 HZ2 LYS A 65 -4.180 1.832 -0.165 1.00 43.43 H new ATOM 0 HZ3 LYS A 65 -5.849 2.104 -0.325 1.00 43.43 H new ATOM 1015 N THR A 66 -2.381 0.614 -6.724 1.00 14.42 N ATOM 1016 CA THR A 66 -3.024 0.938 -7.990 1.00 55.14 C ATOM 1017 C THR A 66 -2.491 0.062 -9.119 1.00 33.44 C ATOM 1018 O THR A 66 -3.207 -0.244 -10.071 1.00 15.33 O ATOM 1019 CB THR A 66 -2.819 2.418 -8.364 1.00 2.32 C ATOM 1020 OG1 THR A 66 -3.309 3.261 -7.315 1.00 63.53 O ATOM 1021 CG2 THR A 66 -3.533 2.753 -9.665 1.00 63.53 C ATOM 0 H THR A 66 -1.702 1.306 -6.407 1.00 14.42 H new ATOM 0 HA THR A 66 -4.089 0.749 -7.859 1.00 55.14 H new ATOM 0 HB THR A 66 -1.751 2.590 -8.500 1.00 2.32 H new ATOM 0 HG1 THR A 66 -3.173 4.200 -7.560 1.00 63.53 H new ATOM 0 HG21 THR A 66 -3.373 3.804 -9.908 1.00 63.53 H new ATOM 0 HG22 THR A 66 -3.137 2.131 -10.468 1.00 63.53 H new ATOM 0 HG23 THR A 66 -4.601 2.565 -9.553 1.00 63.53 H new ATOM 1029 N MET A 67 -1.229 -0.339 -9.003 1.00 61.33 N ATOM 1030 CA MET A 67 -0.600 -1.183 -10.013 1.00 15.41 C ATOM 1031 C MET A 67 -1.475 -2.389 -10.335 1.00 51.42 C ATOM 1032 O MET A 67 -1.895 -2.595 -11.474 1.00 74.33 O ATOM 1033 CB MET A 67 0.776 -1.648 -9.533 1.00 44.25 C ATOM 1034 CG MET A 67 1.924 -0.825 -10.093 1.00 11.05 C ATOM 1035 SD MET A 67 2.462 -1.393 -11.717 1.00 60.23 S ATOM 1036 CE MET A 67 1.381 -0.441 -12.782 1.00 5.23 C ATOM 0 H MET A 67 -0.622 -0.093 -8.221 1.00 61.33 H new ATOM 0 HA MET A 67 -0.479 -0.593 -10.921 1.00 15.41 H new ATOM 0 HB2 MET A 67 0.806 -1.605 -8.444 1.00 44.25 H new ATOM 0 HB3 MET A 67 0.917 -2.692 -9.815 1.00 44.25 H new ATOM 0 HG2 MET A 67 1.618 0.219 -10.161 1.00 11.05 H new ATOM 0 HG3 MET A 67 2.766 -0.866 -9.402 1.00 11.05 H new ATOM 0 HE1 MET A 67 1.883 -0.246 -13.730 1.00 5.23 H new ATOM 0 HE2 MET A 67 0.465 -1.002 -12.965 1.00 5.23 H new ATOM 0 HE3 MET A 67 1.137 0.506 -12.300 1.00 5.23 H new ATOM 1046 N PRO A 68 -1.757 -3.207 -9.310 1.00 40.14 N ATOM 1047 CA PRO A 68 -2.586 -4.407 -9.460 1.00 64.42 C ATOM 1048 C PRO A 68 -4.049 -4.073 -9.724 1.00 74.21 C ATOM 1049 O PRO A 68 -4.830 -4.933 -10.132 1.00 23.31 O ATOM 1050 CB PRO A 68 -2.433 -5.115 -8.110 1.00 52.55 C ATOM 1051 CG PRO A 68 -2.097 -4.027 -7.150 1.00 32.22 C ATOM 1052 CD PRO A 68 -1.291 -3.023 -7.926 1.00 12.24 C ATOM 0 HA PRO A 68 -2.276 -5.012 -10.312 1.00 64.42 H new ATOM 0 HB2 PRO A 68 -3.352 -5.626 -7.824 1.00 52.55 H new ATOM 0 HB3 PRO A 68 -1.647 -5.869 -8.145 1.00 52.55 H new ATOM 0 HG2 PRO A 68 -3.001 -3.572 -6.744 1.00 32.22 H new ATOM 0 HG3 PRO A 68 -1.528 -4.414 -6.305 1.00 32.22 H new ATOM 0 HD2 PRO A 68 -1.469 -2.007 -7.574 1.00 12.24 H new ATOM 0 HD3 PRO A 68 -0.221 -3.210 -7.834 1.00 12.24 H new ATOM 1060 N VAL A 69 -4.417 -2.817 -9.488 1.00 13.11 N ATOM 1061 CA VAL A 69 -5.787 -2.368 -9.701 1.00 41.34 C ATOM 1062 C VAL A 69 -6.041 -2.058 -11.172 1.00 14.13 C ATOM 1063 O VAL A 69 -6.942 -2.626 -11.791 1.00 65.14 O ATOM 1064 CB VAL A 69 -6.105 -1.117 -8.861 1.00 2.41 C ATOM 1065 CG1 VAL A 69 -7.398 -0.469 -9.336 1.00 62.32 C ATOM 1066 CG2 VAL A 69 -6.188 -1.473 -7.385 1.00 41.51 C ATOM 0 H VAL A 69 -3.784 -2.092 -9.149 1.00 13.11 H new ATOM 0 HA VAL A 69 -6.440 -3.182 -9.386 1.00 41.34 H new ATOM 0 HB VAL A 69 -5.297 -0.398 -8.992 1.00 2.41 H new ATOM 0 HG11 VAL A 69 -7.607 0.413 -8.731 1.00 62.32 H new ATOM 0 HG12 VAL A 69 -7.296 -0.176 -10.381 1.00 62.32 H new ATOM 0 HG13 VAL A 69 -8.219 -1.179 -9.237 1.00 62.32 H new ATOM 0 HG21 VAL A 69 -6.413 -0.577 -6.807 1.00 41.51 H new ATOM 0 HG22 VAL A 69 -6.976 -2.211 -7.232 1.00 41.51 H new ATOM 0 HG23 VAL A 69 -5.235 -1.887 -7.056 1.00 41.51 H new ATOM 1076 N LEU A 70 -5.242 -1.153 -11.726 1.00 43.03 N ATOM 1077 CA LEU A 70 -5.378 -0.768 -13.126 1.00 52.42 C ATOM 1078 C LEU A 70 -5.229 -1.977 -14.043 1.00 23.50 C ATOM 1079 O LEU A 70 -5.987 -2.143 -14.998 1.00 32.00 O ATOM 1080 CB LEU A 70 -4.336 0.293 -13.488 1.00 74.43 C ATOM 1081 CG LEU A 70 -2.876 -0.160 -13.443 1.00 31.21 C ATOM 1082 CD1 LEU A 70 -2.421 -0.631 -14.815 1.00 45.31 C ATOM 1083 CD2 LEU A 70 -1.984 0.966 -12.941 1.00 52.24 C ATOM 0 H LEU A 70 -4.493 -0.672 -11.227 1.00 43.03 H new ATOM 0 HA LEU A 70 -6.376 -0.352 -13.266 1.00 52.42 H new ATOM 0 HB2 LEU A 70 -4.552 0.658 -14.492 1.00 74.43 H new ATOM 0 HB3 LEU A 70 -4.455 1.137 -12.809 1.00 74.43 H new ATOM 0 HG LEU A 70 -2.796 -0.997 -12.749 1.00 31.21 H new ATOM 0 HD11 LEU A 70 -1.380 -0.949 -14.764 1.00 45.31 H new ATOM 0 HD12 LEU A 70 -3.041 -1.468 -15.136 1.00 45.31 H new ATOM 0 HD13 LEU A 70 -2.516 0.186 -15.530 1.00 45.31 H new ATOM 0 HD21 LEU A 70 -0.949 0.626 -12.915 1.00 52.24 H new ATOM 0 HD22 LEU A 70 -2.068 1.823 -13.610 1.00 52.24 H new ATOM 0 HD23 LEU A 70 -2.295 1.257 -11.938 1.00 52.24 H new ATOM 1095 N MET A 71 -4.247 -2.821 -13.743 1.00 64.53 N ATOM 1096 CA MET A 71 -4.001 -4.020 -14.538 1.00 11.33 C ATOM 1097 C MET A 71 -5.221 -4.934 -14.536 1.00 70.14 C ATOM 1098 O MET A 71 -5.401 -5.749 -15.441 1.00 74.44 O ATOM 1099 CB MET A 71 -2.783 -4.773 -14.001 1.00 10.12 C ATOM 1100 CG MET A 71 -3.085 -5.620 -12.775 1.00 62.12 C ATOM 1101 SD MET A 71 -1.739 -6.745 -12.360 1.00 21.34 S ATOM 1102 CE MET A 71 -2.647 -8.254 -12.034 1.00 20.24 C ATOM 0 H MET A 71 -3.609 -2.698 -12.957 1.00 64.53 H new ATOM 0 HA MET A 71 -3.804 -3.711 -15.564 1.00 11.33 H new ATOM 0 HB2 MET A 71 -2.387 -5.415 -14.788 1.00 10.12 H new ATOM 0 HB3 MET A 71 -2.002 -4.054 -13.753 1.00 10.12 H new ATOM 0 HG2 MET A 71 -3.282 -4.966 -11.926 1.00 62.12 H new ATOM 0 HG3 MET A 71 -3.994 -6.196 -12.951 1.00 62.12 H new ATOM 0 HE1 MET A 71 -1.950 -9.047 -11.763 1.00 20.24 H new ATOM 0 HE2 MET A 71 -3.345 -8.088 -11.213 1.00 20.24 H new ATOM 0 HE3 MET A 71 -3.199 -8.546 -12.927 1.00 20.24 H new ATOM 1112 N LYS A 72 -6.058 -4.795 -13.513 1.00 11.43 N ATOM 1113 CA LYS A 72 -7.263 -5.607 -13.392 1.00 44.42 C ATOM 1114 C LYS A 72 -8.316 -5.173 -14.407 1.00 61.52 C ATOM 1115 O LYS A 72 -9.117 -5.985 -14.872 1.00 25.04 O ATOM 1116 CB LYS A 72 -7.832 -5.506 -11.976 1.00 11.14 C ATOM 1117 CG LYS A 72 -8.823 -6.605 -11.638 1.00 72.14 C ATOM 1118 CD LYS A 72 -8.137 -7.954 -11.504 1.00 43.04 C ATOM 1119 CE LYS A 72 -7.227 -7.999 -10.286 1.00 11.23 C ATOM 1120 NZ LYS A 72 -6.710 -9.371 -10.029 1.00 43.23 N ATOM 0 H LYS A 72 -5.923 -4.126 -12.755 1.00 11.43 H new ATOM 0 HA LYS A 72 -6.994 -6.644 -13.595 1.00 44.42 H new ATOM 0 HB2 LYS A 72 -7.010 -5.537 -11.260 1.00 11.14 H new ATOM 0 HB3 LYS A 72 -8.321 -4.539 -11.858 1.00 11.14 H new ATOM 0 HG2 LYS A 72 -9.334 -6.362 -10.706 1.00 72.14 H new ATOM 0 HG3 LYS A 72 -9.586 -6.659 -12.415 1.00 72.14 H new ATOM 0 HD2 LYS A 72 -8.889 -8.739 -11.427 1.00 43.04 H new ATOM 0 HD3 LYS A 72 -7.554 -8.158 -12.402 1.00 43.04 H new ATOM 0 HE2 LYS A 72 -6.389 -7.317 -10.433 1.00 11.23 H new ATOM 0 HE3 LYS A 72 -7.774 -7.647 -9.411 1.00 11.23 H new ATOM 0 HZ1 LYS A 72 -6.094 -9.359 -9.191 1.00 43.23 H new ATOM 0 HZ2 LYS A 72 -7.508 -10.017 -9.863 1.00 43.23 H new ATOM 0 HZ3 LYS A 72 -6.166 -9.697 -10.853 1.00 43.23 H new ATOM 1134 N LEU A 73 -8.309 -3.890 -14.748 1.00 33.13 N ATOM 1135 CA LEU A 73 -9.263 -3.348 -15.709 1.00 4.22 C ATOM 1136 C LEU A 73 -8.907 -3.775 -17.129 1.00 63.34 C ATOM 1137 O LEU A 73 -9.754 -4.279 -17.868 1.00 1.41 O ATOM 1138 CB LEU A 73 -9.297 -1.821 -15.617 1.00 53.43 C ATOM 1139 CG LEU A 73 -9.138 -1.229 -14.217 1.00 50.11 C ATOM 1140 CD1 LEU A 73 -9.240 0.288 -14.264 1.00 4.24 C ATOM 1141 CD2 LEU A 73 -10.181 -1.806 -13.271 1.00 62.14 C ATOM 0 H LEU A 73 -7.653 -3.205 -14.373 1.00 33.13 H new ATOM 0 HA LEU A 73 -10.250 -3.743 -15.467 1.00 4.22 H new ATOM 0 HB2 LEU A 73 -8.505 -1.421 -16.251 1.00 53.43 H new ATOM 0 HB3 LEU A 73 -10.243 -1.473 -16.031 1.00 53.43 H new ATOM 0 HG LEU A 73 -8.150 -1.495 -13.842 1.00 50.11 H new ATOM 0 HD11 LEU A 73 -9.124 0.692 -13.258 1.00 4.24 H new ATOM 0 HD12 LEU A 73 -8.455 0.686 -14.907 1.00 4.24 H new ATOM 0 HD13 LEU A 73 -10.214 0.575 -14.660 1.00 4.24 H new ATOM 0 HD21 LEU A 73 -10.052 -1.373 -12.279 1.00 62.14 H new ATOM 0 HD22 LEU A 73 -11.179 -1.571 -13.642 1.00 62.14 H new ATOM 0 HD23 LEU A 73 -10.061 -2.888 -13.213 1.00 62.14 H new ATOM 1153 N LEU A 74 -7.648 -3.574 -17.505 1.00 32.52 N ATOM 1154 CA LEU A 74 -7.179 -3.941 -18.836 1.00 4.45 C ATOM 1155 C LEU A 74 -7.318 -5.442 -19.069 1.00 34.13 C ATOM 1156 O LEU A 74 -7.407 -5.897 -20.207 1.00 41.33 O ATOM 1157 CB LEU A 74 -5.720 -3.518 -19.018 1.00 40.42 C ATOM 1158 CG LEU A 74 -5.474 -2.020 -19.206 1.00 24.01 C ATOM 1159 CD1 LEU A 74 -6.321 -1.479 -20.348 1.00 73.40 C ATOM 1160 CD2 LEU A 74 -5.766 -1.266 -17.918 1.00 64.02 C ATOM 0 H LEU A 74 -6.934 -3.159 -16.906 1.00 32.52 H new ATOM 0 HA LEU A 74 -7.797 -3.420 -19.568 1.00 4.45 H new ATOM 0 HB2 LEU A 74 -5.154 -3.852 -18.148 1.00 40.42 H new ATOM 0 HB3 LEU A 74 -5.315 -4.044 -19.883 1.00 40.42 H new ATOM 0 HG LEU A 74 -4.424 -1.872 -19.459 1.00 24.01 H new ATOM 0 HD11 LEU A 74 -6.133 -0.412 -20.467 1.00 73.40 H new ATOM 0 HD12 LEU A 74 -6.062 -1.998 -21.271 1.00 73.40 H new ATOM 0 HD13 LEU A 74 -7.376 -1.639 -20.126 1.00 73.40 H new ATOM 0 HD21 LEU A 74 -5.586 -0.202 -18.070 1.00 64.02 H new ATOM 0 HD22 LEU A 74 -6.807 -1.421 -17.634 1.00 64.02 H new ATOM 0 HD23 LEU A 74 -5.115 -1.634 -17.125 1.00 64.02 H new ATOM 1172 N GLU A 75 -7.337 -6.204 -17.980 1.00 74.23 N ATOM 1173 CA GLU A 75 -7.467 -7.655 -18.065 1.00 50.53 C ATOM 1174 C GLU A 75 -8.756 -8.044 -18.784 1.00 12.12 C ATOM 1175 O GLU A 75 -8.733 -8.800 -19.755 1.00 31.43 O ATOM 1176 CB GLU A 75 -7.443 -8.275 -16.667 1.00 30.12 C ATOM 1177 CG GLU A 75 -6.110 -8.908 -16.306 1.00 20.44 C ATOM 1178 CD GLU A 75 -6.269 -10.255 -15.627 1.00 71.13 C ATOM 1179 OE1 GLU A 75 -6.761 -11.196 -16.284 1.00 14.30 O ATOM 1180 OE2 GLU A 75 -5.902 -10.368 -14.439 1.00 32.40 O ATOM 0 H GLU A 75 -7.264 -5.842 -17.029 1.00 74.23 H new ATOM 0 HA GLU A 75 -6.622 -8.037 -18.638 1.00 50.53 H new ATOM 0 HB2 GLU A 75 -7.681 -7.505 -15.933 1.00 30.12 H new ATOM 0 HB3 GLU A 75 -8.225 -9.031 -16.600 1.00 30.12 H new ATOM 0 HG2 GLU A 75 -5.513 -9.029 -17.210 1.00 20.44 H new ATOM 0 HG3 GLU A 75 -5.559 -8.236 -15.648 1.00 20.44 H new ATOM 1188 N GLU A 76 -9.878 -7.521 -18.299 1.00 13.35 N ATOM 1189 CA GLU A 76 -11.176 -7.815 -18.894 1.00 10.21 C ATOM 1190 C GLU A 76 -11.379 -7.016 -20.179 1.00 13.11 C ATOM 1191 O GLU A 76 -12.067 -7.462 -21.097 1.00 71.13 O ATOM 1192 CB GLU A 76 -12.299 -7.501 -17.903 1.00 53.02 C ATOM 1193 CG GLU A 76 -12.076 -8.097 -16.523 1.00 51.23 C ATOM 1194 CD GLU A 76 -13.160 -7.704 -15.536 1.00 25.34 C ATOM 1195 OE1 GLU A 76 -14.303 -8.178 -15.692 1.00 75.14 O ATOM 1196 OE2 GLU A 76 -12.862 -6.923 -14.609 1.00 14.53 O ATOM 0 H GLU A 76 -9.914 -6.892 -17.497 1.00 13.35 H new ATOM 0 HA GLU A 76 -11.203 -8.877 -19.138 1.00 10.21 H new ATOM 0 HB2 GLU A 76 -12.399 -6.420 -17.811 1.00 53.02 H new ATOM 0 HB3 GLU A 76 -13.241 -7.875 -18.304 1.00 53.02 H new ATOM 0 HG2 GLU A 76 -12.038 -9.183 -16.602 1.00 51.23 H new ATOM 0 HG3 GLU A 76 -11.108 -7.771 -16.143 1.00 51.23 H new ATOM 1204 N ALA A 77 -10.776 -5.833 -20.235 1.00 14.11 N ATOM 1205 CA ALA A 77 -10.890 -4.973 -21.406 1.00 32.43 C ATOM 1206 C ALA A 77 -9.868 -5.357 -22.470 1.00 24.44 C ATOM 1207 O ALA A 77 -9.752 -4.697 -23.501 1.00 51.14 O ATOM 1208 CB ALA A 77 -10.717 -3.514 -21.008 1.00 24.23 C ATOM 0 H ALA A 77 -10.204 -5.449 -19.483 1.00 14.11 H new ATOM 0 HA ALA A 77 -11.885 -5.107 -21.830 1.00 32.43 H new ATOM 0 HB1 ALA A 77 -10.804 -2.883 -21.892 1.00 24.23 H new ATOM 0 HB2 ALA A 77 -11.488 -3.239 -20.288 1.00 24.23 H new ATOM 0 HB3 ALA A 77 -9.734 -3.374 -20.558 1.00 24.23 H new ATOM 1214 N GLY A 78 -9.126 -6.430 -22.211 1.00 62.04 N ATOM 1215 CA GLY A 78 -8.122 -6.884 -23.157 1.00 33.10 C ATOM 1216 C GLY A 78 -7.133 -5.794 -23.519 1.00 72.13 C ATOM 1217 O GLY A 78 -6.511 -5.838 -24.580 1.00 50.25 O ATOM 0 H GLY A 78 -9.202 -6.993 -21.364 1.00 62.04 H new ATOM 0 HA2 GLY A 78 -7.584 -7.732 -22.733 1.00 33.10 H new ATOM 0 HA3 GLY A 78 -8.614 -7.239 -24.062 1.00 33.10 H new ATOM 1221 N GLY A 79 -6.987 -4.811 -22.636 1.00 15.11 N ATOM 1222 CA GLY A 79 -6.067 -3.718 -22.888 1.00 31.05 C ATOM 1223 C GLY A 79 -6.722 -2.567 -23.624 1.00 41.10 C ATOM 1224 O GLY A 79 -6.113 -1.957 -24.502 1.00 43.21 O ATOM 0 H GLY A 79 -7.490 -4.752 -21.750 1.00 15.11 H new ATOM 0 HA2 GLY A 79 -5.667 -3.358 -21.940 1.00 31.05 H new ATOM 0 HA3 GLY A 79 -5.223 -4.085 -23.472 1.00 31.05 H new ATOM 1228 N ASN A 80 -7.966 -2.269 -23.267 1.00 72.34 N ATOM 1229 CA ASN A 80 -8.705 -1.184 -23.903 1.00 34.20 C ATOM 1230 C ASN A 80 -9.018 -0.077 -22.900 1.00 64.52 C ATOM 1231 O ASN A 80 -9.899 -0.224 -22.054 1.00 75.44 O ATOM 1232 CB ASN A 80 -10.003 -1.713 -24.516 1.00 72.55 C ATOM 1233 CG ASN A 80 -10.354 -1.018 -25.817 1.00 74.25 C ATOM 1234 OD1 ASN A 80 -10.565 0.292 -25.750 1.00 55.43 O flip ATOM 1235 ND2 ASN A 80 -10.434 -1.652 -26.870 1.00 63.42 N flip ATOM 0 H ASN A 80 -8.484 -2.763 -22.541 1.00 72.34 H new ATOM 0 HA ASN A 80 -8.081 -0.768 -24.694 1.00 34.20 H new ATOM 0 HB2 ASN A 80 -9.907 -2.784 -24.694 1.00 72.55 H new ATOM 0 HB3 ASN A 80 -10.818 -1.580 -23.805 1.00 72.55 H new ATOM 0 HD21 ASN A 80 -10.264 -2.658 -26.874 1.00 63.42 H new ATOM 0 HD22 ASN A 80 -10.671 -1.171 -27.738 1.00 63.42 H new ATOM 1242 N TRP A 81 -8.290 1.028 -23.002 1.00 24.01 N ATOM 1243 CA TRP A 81 -8.490 2.160 -22.104 1.00 12.35 C ATOM 1244 C TRP A 81 -9.670 3.012 -22.556 1.00 51.25 C ATOM 1245 O TRP A 81 -10.254 3.751 -21.764 1.00 34.51 O ATOM 1246 CB TRP A 81 -7.223 3.015 -22.038 1.00 54.35 C ATOM 1247 CG TRP A 81 -6.025 2.265 -21.542 1.00 13.14 C ATOM 1248 CD1 TRP A 81 -5.235 1.413 -22.261 1.00 15.45 C ATOM 1249 CD2 TRP A 81 -5.482 2.298 -20.218 1.00 33.33 C ATOM 1250 NE1 TRP A 81 -4.234 0.915 -21.462 1.00 2.22 N ATOM 1251 CE2 TRP A 81 -4.362 1.443 -20.205 1.00 71.45 C ATOM 1252 CE3 TRP A 81 -5.831 2.968 -19.041 1.00 23.13 C ATOM 1253 CZ2 TRP A 81 -3.593 1.241 -19.062 1.00 12.30 C ATOM 1254 CZ3 TRP A 81 -5.067 2.766 -17.909 1.00 33.54 C ATOM 1255 CH2 TRP A 81 -3.958 1.909 -17.925 1.00 12.41 C ATOM 0 H TRP A 81 -7.556 1.165 -23.697 1.00 24.01 H new ATOM 0 HA TRP A 81 -8.708 1.769 -21.110 1.00 12.35 H new ATOM 0 HB2 TRP A 81 -7.009 3.412 -23.030 1.00 54.35 H new ATOM 0 HB3 TRP A 81 -7.404 3.869 -21.386 1.00 54.35 H new ATOM 0 HD1 TRP A 81 -5.376 1.167 -23.303 1.00 15.45 H new ATOM 0 HE1 TRP A 81 -3.512 0.258 -21.758 1.00 2.22 H new ATOM 0 HE3 TRP A 81 -6.683 3.631 -19.018 1.00 23.13 H new ATOM 0 HZ2 TRP A 81 -2.739 0.580 -19.072 1.00 12.30 H new ATOM 0 HZ3 TRP A 81 -5.329 3.278 -16.995 1.00 33.54 H new ATOM 0 HH2 TRP A 81 -3.380 1.773 -17.023 1.00 12.41 H new ATOM 1266 N SER A 82 -10.019 2.902 -23.834 1.00 12.33 N ATOM 1267 CA SER A 82 -11.128 3.666 -24.392 1.00 73.05 C ATOM 1268 C SER A 82 -12.388 3.491 -23.548 1.00 24.13 C ATOM 1269 O SER A 82 -13.015 4.467 -23.139 1.00 52.45 O ATOM 1270 CB SER A 82 -11.402 3.230 -25.833 1.00 1.42 C ATOM 1271 OG SER A 82 -12.161 4.207 -26.526 1.00 25.30 O ATOM 0 H SER A 82 -9.549 2.291 -24.502 1.00 12.33 H new ATOM 0 HA SER A 82 -10.850 4.720 -24.385 1.00 73.05 H new ATOM 0 HB2 SER A 82 -10.458 3.063 -26.352 1.00 1.42 H new ATOM 0 HB3 SER A 82 -11.938 2.281 -25.833 1.00 1.42 H new ATOM 0 HG SER A 82 -12.321 3.906 -27.445 1.00 25.30 H new ATOM 1277 N TYR A 83 -12.749 2.239 -23.292 1.00 75.54 N ATOM 1278 CA TYR A 83 -13.934 1.934 -22.499 1.00 61.52 C ATOM 1279 C TYR A 83 -13.663 2.142 -21.012 1.00 64.15 C ATOM 1280 O TYR A 83 -14.494 2.692 -20.290 1.00 71.11 O ATOM 1281 CB TYR A 83 -14.385 0.494 -22.751 1.00 22.31 C ATOM 1282 CG TYR A 83 -15.258 -0.069 -21.652 1.00 14.24 C ATOM 1283 CD1 TYR A 83 -14.700 -0.734 -20.566 1.00 54.51 C ATOM 1284 CD2 TYR A 83 -16.640 0.066 -21.698 1.00 72.22 C ATOM 1285 CE1 TYR A 83 -15.494 -1.249 -19.560 1.00 42.25 C ATOM 1286 CE2 TYR A 83 -17.442 -0.446 -20.696 1.00 14.23 C ATOM 1287 CZ TYR A 83 -16.865 -1.103 -19.629 1.00 0.42 C ATOM 1288 OH TYR A 83 -17.659 -1.613 -18.628 1.00 63.02 O ATOM 0 H TYR A 83 -12.239 1.419 -23.622 1.00 75.54 H new ATOM 0 HA TYR A 83 -14.729 2.615 -22.803 1.00 61.52 H new ATOM 0 HB2 TYR A 83 -14.931 0.453 -23.694 1.00 22.31 H new ATOM 0 HB3 TYR A 83 -13.505 -0.139 -22.864 1.00 22.31 H new ATOM 0 HD1 TYR A 83 -13.628 -0.850 -20.508 1.00 54.51 H new ATOM 0 HD2 TYR A 83 -17.095 0.580 -22.531 1.00 72.22 H new ATOM 0 HE1 TYR A 83 -15.044 -1.763 -18.724 1.00 42.25 H new ATOM 0 HE2 TYR A 83 -18.515 -0.332 -20.748 1.00 14.23 H new ATOM 0 HH TYR A 83 -18.600 -1.424 -18.828 1.00 63.02 H new ATOM 1298 N ILE A 84 -12.494 1.696 -20.563 1.00 55.10 N ATOM 1299 CA ILE A 84 -12.112 1.836 -19.163 1.00 65.44 C ATOM 1300 C ILE A 84 -12.108 3.300 -18.737 1.00 64.52 C ATOM 1301 O ILE A 84 -12.270 3.615 -17.558 1.00 72.33 O ATOM 1302 CB ILE A 84 -10.721 1.230 -18.897 1.00 33.02 C ATOM 1303 CG1 ILE A 84 -10.741 -0.280 -19.147 1.00 14.40 C ATOM 1304 CG2 ILE A 84 -10.276 1.530 -17.474 1.00 53.52 C ATOM 1305 CD1 ILE A 84 -9.376 -0.925 -19.059 1.00 14.52 C ATOM 0 H ILE A 84 -11.796 1.235 -21.147 1.00 55.10 H new ATOM 0 HA ILE A 84 -12.854 1.293 -18.577 1.00 65.44 H new ATOM 0 HB ILE A 84 -10.007 1.684 -19.584 1.00 33.02 H new ATOM 0 HG12 ILE A 84 -11.404 -0.751 -18.422 1.00 14.40 H new ATOM 0 HG13 ILE A 84 -11.161 -0.471 -20.134 1.00 14.40 H new ATOM 0 HG21 ILE A 84 -9.291 1.095 -17.301 1.00 53.52 H new ATOM 0 HG22 ILE A 84 -10.227 2.609 -17.328 1.00 53.52 H new ATOM 0 HG23 ILE A 84 -10.990 1.101 -16.771 1.00 53.52 H new ATOM 0 HD11 ILE A 84 -9.466 -1.995 -19.247 1.00 14.52 H new ATOM 0 HD12 ILE A 84 -8.715 -0.480 -19.803 1.00 14.52 H new ATOM 0 HD13 ILE A 84 -8.962 -0.765 -18.064 1.00 14.52 H new ATOM 1317 N LYS A 85 -11.922 4.191 -19.704 1.00 74.35 N ATOM 1318 CA LYS A 85 -11.899 5.623 -19.431 1.00 75.54 C ATOM 1319 C LYS A 85 -13.255 6.256 -19.731 1.00 60.41 C ATOM 1320 O LYS A 85 -13.406 7.477 -19.681 1.00 12.21 O ATOM 1321 CB LYS A 85 -10.811 6.304 -20.263 1.00 12.22 C ATOM 1322 CG LYS A 85 -11.302 6.811 -21.608 1.00 14.33 C ATOM 1323 CD LYS A 85 -10.214 6.734 -22.665 1.00 20.03 C ATOM 1324 CE LYS A 85 -8.924 7.385 -22.186 1.00 52.24 C ATOM 1325 NZ LYS A 85 -8.321 8.255 -23.234 1.00 3.04 N ATOM 0 H LYS A 85 -11.785 3.947 -20.685 1.00 74.35 H new ATOM 0 HA LYS A 85 -11.679 5.762 -18.373 1.00 75.54 H new ATOM 0 HB2 LYS A 85 -10.402 7.140 -19.696 1.00 12.22 H new ATOM 0 HB3 LYS A 85 -9.995 5.600 -20.425 1.00 12.22 H new ATOM 0 HG2 LYS A 85 -12.163 6.223 -21.927 1.00 14.33 H new ATOM 0 HG3 LYS A 85 -11.640 7.842 -21.507 1.00 14.33 H new ATOM 0 HD2 LYS A 85 -10.024 5.691 -22.918 1.00 20.03 H new ATOM 0 HD3 LYS A 85 -10.555 7.226 -23.576 1.00 20.03 H new ATOM 0 HE2 LYS A 85 -9.125 7.977 -21.294 1.00 52.24 H new ATOM 0 HE3 LYS A 85 -8.211 6.612 -21.901 1.00 52.24 H new ATOM 0 HZ1 LYS A 85 -7.444 8.680 -22.870 1.00 3.04 H new ATOM 0 HZ2 LYS A 85 -8.105 7.685 -24.077 1.00 3.04 H new ATOM 0 HZ3 LYS A 85 -8.992 9.008 -23.488 1.00 3.04 H new ATOM 1339 N LEU A 86 -14.238 5.418 -20.041 1.00 22.32 N ATOM 1340 CA LEU A 86 -15.582 5.895 -20.348 1.00 33.54 C ATOM 1341 C LEU A 86 -16.193 6.610 -19.147 1.00 72.21 C ATOM 1342 O LEU A 86 -17.167 7.351 -19.282 1.00 3.30 O ATOM 1343 CB LEU A 86 -16.475 4.727 -20.769 1.00 53.35 C ATOM 1344 CG LEU A 86 -17.853 5.100 -21.320 1.00 32.45 C ATOM 1345 CD1 LEU A 86 -17.849 5.060 -22.839 1.00 61.05 C ATOM 1346 CD2 LEU A 86 -18.920 4.169 -20.761 1.00 11.40 C ATOM 0 H LEU A 86 -14.130 4.405 -20.086 1.00 22.32 H new ATOM 0 HA LEU A 86 -15.510 6.605 -21.172 1.00 33.54 H new ATOM 0 HB2 LEU A 86 -15.948 4.147 -21.527 1.00 53.35 H new ATOM 0 HB3 LEU A 86 -16.615 4.074 -19.908 1.00 53.35 H new ATOM 0 HG LEU A 86 -18.086 6.117 -21.006 1.00 32.45 H new ATOM 0 HD11 LEU A 86 -18.837 5.328 -23.213 1.00 61.05 H new ATOM 0 HD12 LEU A 86 -17.113 5.768 -23.220 1.00 61.05 H new ATOM 0 HD13 LEU A 86 -17.594 4.055 -23.176 1.00 61.05 H new ATOM 0 HD21 LEU A 86 -19.894 4.449 -21.163 1.00 11.40 H new ATOM 0 HD22 LEU A 86 -18.691 3.142 -21.045 1.00 11.40 H new ATOM 0 HD23 LEU A 86 -18.940 4.249 -19.674 1.00 11.40 H new ATOM 1358 N ASP A 87 -15.614 6.383 -17.973 1.00 75.22 N ATOM 1359 CA ASP A 87 -16.100 7.008 -16.748 1.00 51.03 C ATOM 1360 C ASP A 87 -14.942 7.578 -15.933 1.00 73.25 C ATOM 1361 O ASP A 87 -15.025 7.684 -14.710 1.00 62.11 O ATOM 1362 CB ASP A 87 -16.882 5.996 -15.909 1.00 31.14 C ATOM 1363 CG ASP A 87 -17.987 5.322 -16.697 1.00 62.44 C ATOM 1364 OD1 ASP A 87 -19.021 5.976 -16.951 1.00 4.14 O ATOM 1365 OD2 ASP A 87 -17.818 4.139 -17.062 1.00 34.33 O ATOM 0 H ASP A 87 -14.808 5.771 -17.844 1.00 75.22 H new ATOM 0 HA ASP A 87 -16.764 7.827 -17.025 1.00 51.03 H new ATOM 0 HB2 ASP A 87 -16.197 5.238 -15.528 1.00 31.14 H new ATOM 0 HB3 ASP A 87 -17.312 6.501 -15.044 1.00 31.14 H new ATOM 1371 N ASN A 88 -13.864 7.941 -16.620 1.00 34.11 N ATOM 1372 CA ASN A 88 -12.689 8.498 -15.958 1.00 42.43 C ATOM 1373 C ASN A 88 -12.029 7.459 -15.058 1.00 2.25 C ATOM 1374 O ASN A 88 -11.595 7.771 -13.948 1.00 23.41 O ATOM 1375 CB ASN A 88 -13.076 9.730 -15.138 1.00 62.11 C ATOM 1376 CG ASN A 88 -12.031 10.826 -15.212 1.00 43.43 C ATOM 1377 OD1 ASN A 88 -12.334 11.964 -15.571 1.00 64.13 O ATOM 1378 ND2 ASN A 88 -10.793 10.486 -14.874 1.00 1.33 N ATOM 0 H ASN A 88 -13.779 7.860 -17.633 1.00 34.11 H new ATOM 0 HA ASN A 88 -11.974 8.792 -16.727 1.00 42.43 H new ATOM 0 HB2 ASN A 88 -14.030 10.117 -15.497 1.00 62.11 H new ATOM 0 HB3 ASN A 88 -13.221 9.440 -14.097 1.00 62.11 H new ATOM 0 HD21 ASN A 88 -10.047 11.181 -14.906 1.00 1.33 H new ATOM 0 HD22 ASN A 88 -10.588 9.530 -14.582 1.00 1.33 H new ATOM 1385 N TYR A 89 -11.955 6.224 -15.543 1.00 33.24 N ATOM 1386 CA TYR A 89 -11.349 5.139 -14.780 1.00 51.43 C ATOM 1387 C TYR A 89 -12.101 4.905 -13.474 1.00 13.04 C ATOM 1388 O TYR A 89 -11.494 4.662 -12.430 1.00 33.52 O ATOM 1389 CB TYR A 89 -9.880 5.451 -14.489 1.00 53.21 C ATOM 1390 CG TYR A 89 -9.057 5.706 -15.730 1.00 5.24 C ATOM 1391 CD1 TYR A 89 -9.373 5.092 -16.936 1.00 64.32 C ATOM 1392 CD2 TYR A 89 -7.963 6.563 -15.699 1.00 54.53 C ATOM 1393 CE1 TYR A 89 -8.623 5.322 -18.073 1.00 21.54 C ATOM 1394 CE2 TYR A 89 -7.208 6.800 -16.831 1.00 40.11 C ATOM 1395 CZ TYR A 89 -7.541 6.176 -18.015 1.00 53.43 C ATOM 1396 OH TYR A 89 -6.793 6.410 -19.147 1.00 25.45 O ATOM 0 H TYR A 89 -12.307 5.950 -16.460 1.00 33.24 H new ATOM 0 HA TYR A 89 -11.408 4.230 -15.379 1.00 51.43 H new ATOM 0 HB2 TYR A 89 -9.825 6.326 -13.841 1.00 53.21 H new ATOM 0 HB3 TYR A 89 -9.443 4.618 -13.938 1.00 53.21 H new ATOM 0 HD1 TYR A 89 -10.220 4.423 -16.985 1.00 64.32 H new ATOM 0 HD2 TYR A 89 -7.699 7.052 -14.773 1.00 54.53 H new ATOM 0 HE1 TYR A 89 -8.882 4.836 -19.002 1.00 21.54 H new ATOM 0 HE2 TYR A 89 -6.362 7.470 -16.789 1.00 40.11 H new ATOM 0 HH TYR A 89 -6.332 5.586 -19.411 1.00 25.45 H new ATOM 1406 N THR A 90 -13.426 4.978 -13.539 1.00 41.23 N ATOM 1407 CA THR A 90 -14.262 4.775 -12.364 1.00 73.32 C ATOM 1408 C THR A 90 -13.906 3.474 -11.654 1.00 73.54 C ATOM 1409 O THR A 90 -13.992 3.380 -10.430 1.00 53.22 O ATOM 1410 CB THR A 90 -15.758 4.752 -12.734 1.00 3.42 C ATOM 1411 OG1 THR A 90 -16.190 6.065 -13.106 1.00 44.10 O ATOM 1412 CG2 THR A 90 -16.596 4.248 -11.569 1.00 21.41 C ATOM 0 H THR A 90 -13.944 5.177 -14.395 1.00 41.23 H new ATOM 0 HA THR A 90 -14.074 5.615 -11.695 1.00 73.32 H new ATOM 0 HB THR A 90 -15.891 4.073 -13.577 1.00 3.42 H new ATOM 0 HG1 THR A 90 -15.441 6.555 -13.504 1.00 44.10 H new ATOM 0 HG21 THR A 90 -17.648 4.241 -11.854 1.00 21.41 H new ATOM 0 HG22 THR A 90 -16.284 3.237 -11.307 1.00 21.41 H new ATOM 0 HG23 THR A 90 -16.457 4.905 -10.710 1.00 21.41 H new ATOM 1420 N ALA A 91 -13.505 2.472 -12.430 1.00 14.44 N ATOM 1421 CA ALA A 91 -13.133 1.177 -11.875 1.00 1.25 C ATOM 1422 C ALA A 91 -12.116 1.334 -10.750 1.00 32.13 C ATOM 1423 O ALA A 91 -12.151 0.602 -9.760 1.00 72.13 O ATOM 1424 CB ALA A 91 -12.579 0.274 -12.967 1.00 15.33 C ATOM 0 H ALA A 91 -13.430 2.533 -13.445 1.00 14.44 H new ATOM 0 HA ALA A 91 -14.029 0.717 -11.458 1.00 1.25 H new ATOM 0 HB1 ALA A 91 -12.305 -0.690 -12.538 1.00 15.33 H new ATOM 0 HB2 ALA A 91 -13.337 0.127 -13.737 1.00 15.33 H new ATOM 0 HB3 ALA A 91 -11.697 0.737 -13.410 1.00 15.33 H new ATOM 1430 N LEU A 92 -11.209 2.293 -10.907 1.00 34.30 N ATOM 1431 CA LEU A 92 -10.181 2.546 -9.904 1.00 23.52 C ATOM 1432 C LEU A 92 -10.796 3.080 -8.615 1.00 35.12 C ATOM 1433 O LEU A 92 -10.316 2.792 -7.519 1.00 70.33 O ATOM 1434 CB LEU A 92 -9.150 3.541 -10.441 1.00 73.41 C ATOM 1435 CG LEU A 92 -9.514 5.020 -10.311 1.00 72.31 C ATOM 1436 CD1 LEU A 92 -9.029 5.574 -8.981 1.00 62.25 C ATOM 1437 CD2 LEU A 92 -8.930 5.816 -11.469 1.00 34.14 C ATOM 0 H LEU A 92 -11.165 2.908 -11.720 1.00 34.30 H new ATOM 0 HA LEU A 92 -9.685 1.601 -9.683 1.00 23.52 H new ATOM 0 HB2 LEU A 92 -8.207 3.372 -9.921 1.00 73.41 H new ATOM 0 HB3 LEU A 92 -8.977 3.321 -11.494 1.00 73.41 H new ATOM 0 HG LEU A 92 -10.600 5.112 -10.344 1.00 72.31 H new ATOM 0 HD11 LEU A 92 -9.297 6.628 -8.906 1.00 62.25 H new ATOM 0 HD12 LEU A 92 -9.496 5.022 -8.165 1.00 62.25 H new ATOM 0 HD13 LEU A 92 -7.946 5.470 -8.917 1.00 62.25 H new ATOM 0 HD21 LEU A 92 -9.199 6.867 -11.360 1.00 34.14 H new ATOM 0 HD22 LEU A 92 -7.844 5.717 -11.468 1.00 34.14 H new ATOM 0 HD23 LEU A 92 -9.328 5.435 -12.410 1.00 34.14 H new ATOM 1449 N VAL A 93 -11.864 3.860 -8.753 1.00 45.54 N ATOM 1450 CA VAL A 93 -12.548 4.432 -7.601 1.00 55.33 C ATOM 1451 C VAL A 93 -13.181 3.344 -6.741 1.00 21.32 C ATOM 1452 O VAL A 93 -13.005 3.320 -5.523 1.00 55.11 O ATOM 1453 CB VAL A 93 -13.641 5.428 -8.034 1.00 73.23 C ATOM 1454 CG1 VAL A 93 -14.542 5.776 -6.860 1.00 32.31 C ATOM 1455 CG2 VAL A 93 -13.015 6.681 -8.626 1.00 2.12 C ATOM 0 H VAL A 93 -12.274 4.110 -9.653 1.00 45.54 H new ATOM 0 HA VAL A 93 -11.795 4.961 -7.017 1.00 55.33 H new ATOM 0 HB VAL A 93 -14.253 4.957 -8.803 1.00 73.23 H new ATOM 0 HG11 VAL A 93 -15.308 6.480 -7.185 1.00 32.31 H new ATOM 0 HG12 VAL A 93 -15.018 4.870 -6.486 1.00 32.31 H new ATOM 0 HG13 VAL A 93 -13.947 6.228 -6.066 1.00 32.31 H new ATOM 0 HG21 VAL A 93 -13.801 7.373 -8.926 1.00 2.12 H new ATOM 0 HG22 VAL A 93 -12.378 7.157 -7.880 1.00 2.12 H new ATOM 0 HG23 VAL A 93 -12.416 6.412 -9.496 1.00 2.12 H new ATOM 1465 N ASP A 94 -13.916 2.443 -7.383 1.00 4.10 N ATOM 1466 CA ASP A 94 -14.574 1.348 -6.677 1.00 13.43 C ATOM 1467 C ASP A 94 -13.563 0.286 -6.260 1.00 20.04 C ATOM 1468 O ASP A 94 -13.744 -0.395 -5.251 1.00 75.04 O ATOM 1469 CB ASP A 94 -15.657 0.723 -7.558 1.00 2.13 C ATOM 1470 CG ASP A 94 -16.639 -0.113 -6.762 1.00 14.31 C ATOM 1471 OD1 ASP A 94 -17.385 0.467 -5.944 1.00 40.03 O ATOM 1472 OD2 ASP A 94 -16.663 -1.346 -6.956 1.00 11.42 O ATOM 0 H ASP A 94 -14.072 2.449 -8.391 1.00 4.10 H new ATOM 0 HA ASP A 94 -15.038 1.754 -5.778 1.00 13.43 H new ATOM 0 HB2 ASP A 94 -16.197 1.513 -8.081 1.00 2.13 H new ATOM 0 HB3 ASP A 94 -15.187 0.100 -8.319 1.00 2.13 H new ATOM 1478 N ALA A 95 -12.498 0.149 -7.043 1.00 72.15 N ATOM 1479 CA ALA A 95 -11.458 -0.830 -6.755 1.00 62.42 C ATOM 1480 C ALA A 95 -10.637 -0.417 -5.538 1.00 51.42 C ATOM 1481 O ALA A 95 -10.534 -1.163 -4.564 1.00 32.10 O ATOM 1482 CB ALA A 95 -10.556 -1.015 -7.966 1.00 22.44 C ATOM 0 H ALA A 95 -12.333 0.704 -7.882 1.00 72.15 H new ATOM 0 HA ALA A 95 -11.941 -1.780 -6.529 1.00 62.42 H new ATOM 0 HB1 ALA A 95 -9.784 -1.749 -7.736 1.00 22.44 H new ATOM 0 HB2 ALA A 95 -11.149 -1.365 -8.811 1.00 22.44 H new ATOM 0 HB3 ALA A 95 -10.088 -0.064 -8.220 1.00 22.44 H new ATOM 1488 N ILE A 96 -10.053 0.775 -5.602 1.00 4.23 N ATOM 1489 CA ILE A 96 -9.241 1.287 -4.505 1.00 44.34 C ATOM 1490 C ILE A 96 -10.063 1.421 -3.229 1.00 51.03 C ATOM 1491 O ILE A 96 -9.560 1.199 -2.127 1.00 41.12 O ATOM 1492 CB ILE A 96 -8.625 2.656 -4.852 1.00 65.41 C ATOM 1493 CG1 ILE A 96 -7.688 2.527 -6.055 1.00 13.44 C ATOM 1494 CG2 ILE A 96 -7.881 3.221 -3.652 1.00 11.01 C ATOM 1495 CD1 ILE A 96 -6.492 1.638 -5.796 1.00 40.04 C ATOM 0 H ILE A 96 -10.127 1.404 -6.402 1.00 4.23 H new ATOM 0 HA ILE A 96 -8.439 0.567 -4.343 1.00 44.34 H new ATOM 0 HB ILE A 96 -9.429 3.345 -5.113 1.00 65.41 H new ATOM 0 HG12 ILE A 96 -8.249 2.130 -6.901 1.00 13.44 H new ATOM 0 HG13 ILE A 96 -7.338 3.519 -6.341 1.00 13.44 H new ATOM 0 HG21 ILE A 96 -7.451 4.188 -3.913 1.00 11.01 H new ATOM 0 HG22 ILE A 96 -8.574 3.344 -2.819 1.00 11.01 H new ATOM 0 HG23 ILE A 96 -7.084 2.536 -3.363 1.00 11.01 H new ATOM 0 HD11 ILE A 96 -5.872 1.593 -6.691 1.00 40.04 H new ATOM 0 HD12 ILE A 96 -5.908 2.045 -4.970 1.00 40.04 H new ATOM 0 HD13 ILE A 96 -6.833 0.635 -5.540 1.00 40.04 H new ATOM 1507 N TYR A 97 -11.331 1.784 -3.384 1.00 74.24 N ATOM 1508 CA TYR A 97 -12.225 1.948 -2.243 1.00 54.42 C ATOM 1509 C TYR A 97 -12.362 0.643 -1.466 1.00 71.34 C ATOM 1510 O TYR A 97 -12.491 0.647 -0.242 1.00 44.21 O ATOM 1511 CB TYR A 97 -13.601 2.424 -2.712 1.00 74.53 C ATOM 1512 CG TYR A 97 -13.778 3.925 -2.650 1.00 65.44 C ATOM 1513 CD1 TYR A 97 -12.753 4.780 -3.036 1.00 62.05 C ATOM 1514 CD2 TYR A 97 -14.968 4.486 -2.204 1.00 44.23 C ATOM 1515 CE1 TYR A 97 -12.910 6.151 -2.981 1.00 11.44 C ATOM 1516 CE2 TYR A 97 -15.133 5.856 -2.147 1.00 53.43 C ATOM 1517 CZ TYR A 97 -14.101 6.685 -2.536 1.00 42.23 C ATOM 1518 OH TYR A 97 -14.261 8.050 -2.479 1.00 62.14 O ATOM 0 H TYR A 97 -11.764 1.970 -4.289 1.00 74.24 H new ATOM 0 HA TYR A 97 -11.795 2.699 -1.581 1.00 54.42 H new ATOM 0 HB2 TYR A 97 -13.761 2.090 -3.737 1.00 74.53 H new ATOM 0 HB3 TYR A 97 -14.368 1.951 -2.099 1.00 74.53 H new ATOM 0 HD1 TYR A 97 -11.819 4.366 -3.385 1.00 62.05 H new ATOM 0 HD2 TYR A 97 -15.777 3.840 -1.897 1.00 44.23 H new ATOM 0 HE1 TYR A 97 -12.104 6.802 -3.285 1.00 11.44 H new ATOM 0 HE2 TYR A 97 -16.065 6.276 -1.800 1.00 53.43 H new ATOM 0 HH TYR A 97 -15.158 8.261 -2.145 1.00 62.14 H new ATOM 1528 N SER A 98 -12.334 -0.473 -2.188 1.00 23.21 N ATOM 1529 CA SER A 98 -12.458 -1.787 -1.568 1.00 62.30 C ATOM 1530 C SER A 98 -11.155 -2.191 -0.886 1.00 34.52 C ATOM 1531 O SER A 98 -11.136 -2.513 0.303 1.00 11.25 O ATOM 1532 CB SER A 98 -12.844 -2.834 -2.615 1.00 74.14 C ATOM 1533 OG SER A 98 -14.252 -2.972 -2.703 1.00 53.40 O ATOM 0 H SER A 98 -12.227 -0.493 -3.202 1.00 23.21 H new ATOM 0 HA SER A 98 -13.242 -1.732 -0.813 1.00 62.30 H new ATOM 0 HB2 SER A 98 -12.442 -2.547 -3.587 1.00 74.14 H new ATOM 0 HB3 SER A 98 -12.397 -3.794 -2.356 1.00 74.14 H new ATOM 0 HG SER A 98 -14.473 -3.645 -3.380 1.00 53.40 H new ATOM 1539 N VAL A 99 -10.065 -2.173 -1.646 1.00 43.12 N ATOM 1540 CA VAL A 99 -8.756 -2.537 -1.117 1.00 55.14 C ATOM 1541 C VAL A 99 -8.363 -1.630 0.044 1.00 61.00 C ATOM 1542 O VAL A 99 -8.040 -2.106 1.133 1.00 14.50 O ATOM 1543 CB VAL A 99 -7.669 -2.460 -2.206 1.00 32.31 C ATOM 1544 CG1 VAL A 99 -6.344 -2.984 -1.675 1.00 20.01 C ATOM 1545 CG2 VAL A 99 -8.100 -3.231 -3.443 1.00 5.13 C ATOM 0 H VAL A 99 -10.063 -1.910 -2.631 1.00 43.12 H new ATOM 0 HA VAL A 99 -8.831 -3.565 -0.763 1.00 55.14 H new ATOM 0 HB VAL A 99 -7.533 -1.416 -2.487 1.00 32.31 H new ATOM 0 HG11 VAL A 99 -5.588 -2.922 -2.458 1.00 20.01 H new ATOM 0 HG12 VAL A 99 -6.032 -2.384 -0.821 1.00 20.01 H new ATOM 0 HG13 VAL A 99 -6.461 -4.023 -1.365 1.00 20.01 H new ATOM 0 HG21 VAL A 99 -7.321 -3.166 -4.202 1.00 5.13 H new ATOM 0 HG22 VAL A 99 -8.265 -4.276 -3.181 1.00 5.13 H new ATOM 0 HG23 VAL A 99 -9.024 -2.804 -3.834 1.00 5.13 H new ATOM 1555 N GLU A 100 -8.391 -0.323 -0.196 1.00 70.42 N ATOM 1556 CA GLU A 100 -8.037 0.650 0.830 1.00 73.11 C ATOM 1557 C GLU A 100 -8.810 0.387 2.120 1.00 60.22 C ATOM 1558 O GLU A 100 -8.317 0.650 3.217 1.00 11.40 O ATOM 1559 CB GLU A 100 -8.317 2.071 0.337 1.00 44.14 C ATOM 1560 CG GLU A 100 -9.775 2.480 0.457 1.00 11.32 C ATOM 1561 CD GLU A 100 -10.051 3.839 -0.159 1.00 40.11 C ATOM 1562 OE1 GLU A 100 -11.193 4.328 -0.027 1.00 62.20 O ATOM 1563 OE2 GLU A 100 -9.127 4.412 -0.773 1.00 31.02 O ATOM 0 H GLU A 100 -8.655 0.086 -1.092 1.00 70.42 H new ATOM 0 HA GLU A 100 -6.972 0.548 1.037 1.00 73.11 H new ATOM 0 HB2 GLU A 100 -7.704 2.771 0.905 1.00 44.14 H new ATOM 0 HB3 GLU A 100 -8.010 2.152 -0.706 1.00 44.14 H new ATOM 0 HG2 GLU A 100 -10.400 1.731 -0.029 1.00 11.32 H new ATOM 0 HG3 GLU A 100 -10.058 2.498 1.509 1.00 11.32 H new ATOM 1571 N ASP A 101 -10.024 -0.135 1.979 1.00 40.14 N ATOM 1572 CA ASP A 101 -10.866 -0.435 3.131 1.00 70.00 C ATOM 1573 C ASP A 101 -10.617 -1.854 3.630 1.00 73.23 C ATOM 1574 O ASP A 101 -10.140 -2.710 2.886 1.00 55.02 O ATOM 1575 CB ASP A 101 -12.342 -0.259 2.770 1.00 53.24 C ATOM 1576 CG ASP A 101 -13.221 -0.091 3.993 1.00 34.14 C ATOM 1577 OD1 ASP A 101 -14.029 -1.001 4.273 1.00 33.51 O ATOM 1578 OD2 ASP A 101 -13.101 0.950 4.672 1.00 4.34 O ATOM 0 H ASP A 101 -10.447 -0.359 1.078 1.00 40.14 H new ATOM 0 HA ASP A 101 -10.610 0.262 3.929 1.00 70.00 H new ATOM 0 HB2 ASP A 101 -12.454 0.612 2.124 1.00 53.24 H new ATOM 0 HB3 ASP A 101 -12.679 -1.125 2.200 1.00 53.24 H new ATOM 1584 N GLU A 102 -10.944 -2.096 4.897 1.00 44.42 N ATOM 1585 CA GLU A 102 -10.753 -3.412 5.496 1.00 55.10 C ATOM 1586 C GLU A 102 -9.327 -3.909 5.276 1.00 74.00 C ATOM 1587 O GLU A 102 -9.068 -4.702 4.372 1.00 32.35 O ATOM 1588 CB GLU A 102 -11.750 -4.413 4.909 1.00 44.03 C ATOM 1589 CG GLU A 102 -13.170 -3.879 4.821 1.00 1.41 C ATOM 1590 CD GLU A 102 -14.185 -4.966 4.530 1.00 75.35 C ATOM 1591 OE1 GLU A 102 -15.067 -4.741 3.675 1.00 54.41 O ATOM 1592 OE2 GLU A 102 -14.099 -6.043 5.158 1.00 45.24 O ATOM 0 H GLU A 102 -11.342 -1.399 5.527 1.00 44.42 H new ATOM 0 HA GLU A 102 -10.926 -3.323 6.568 1.00 55.10 H new ATOM 0 HB2 GLU A 102 -11.417 -4.702 3.912 1.00 44.03 H new ATOM 0 HB3 GLU A 102 -11.748 -5.316 5.520 1.00 44.03 H new ATOM 0 HG2 GLU A 102 -13.428 -3.388 5.759 1.00 1.41 H new ATOM 0 HG3 GLU A 102 -13.221 -3.121 4.040 1.00 1.41 H new ATOM 1600 N ASN A 103 -8.407 -3.434 6.109 1.00 12.30 N ATOM 1601 CA ASN A 103 -7.006 -3.828 6.006 1.00 50.31 C ATOM 1602 C ASN A 103 -6.652 -4.858 7.074 1.00 20.15 C ATOM 1603 O ASN A 103 -5.731 -5.658 6.900 1.00 0.32 O ATOM 1604 CB ASN A 103 -6.099 -2.604 6.140 1.00 1.32 C ATOM 1605 CG ASN A 103 -5.892 -1.889 4.818 1.00 65.42 C ATOM 1606 OD1 ASN A 103 -6.976 -1.690 4.078 1.00 52.34 O flip ATOM 1607 ND2 ASN A 103 -4.770 -1.522 4.468 1.00 14.22 N flip ATOM 0 H ASN A 103 -8.606 -2.776 6.863 1.00 12.30 H new ATOM 0 HA ASN A 103 -6.852 -4.279 5.026 1.00 50.31 H new ATOM 0 HB2 ASN A 103 -6.533 -1.911 6.861 1.00 1.32 H new ATOM 0 HB3 ASN A 103 -5.132 -2.913 6.538 1.00 1.32 H new ATOM 0 HD21 ASN A 103 -3.965 -1.697 5.070 1.00 14.22 H new ATOM 0 HD22 ASN A 103 -4.645 -1.043 3.576 1.00 14.22 H new ATOM 1614 N LYS A 104 -7.387 -4.833 8.180 1.00 60.35 N ATOM 1615 CA LYS A 104 -7.153 -5.765 9.277 1.00 71.11 C ATOM 1616 C LYS A 104 -7.736 -7.138 8.958 1.00 33.24 C ATOM 1617 O LYS A 104 -7.267 -8.154 9.470 1.00 33.33 O ATOM 1618 CB LYS A 104 -7.766 -5.226 10.571 1.00 41.45 C ATOM 1619 CG LYS A 104 -9.286 -5.240 10.575 1.00 31.35 C ATOM 1620 CD LYS A 104 -9.831 -6.372 11.430 1.00 5.45 C ATOM 1621 CE LYS A 104 -11.271 -6.113 11.845 1.00 13.41 C ATOM 1622 NZ LYS A 104 -11.891 -7.312 12.471 1.00 75.43 N ATOM 0 H LYS A 104 -8.151 -4.177 8.341 1.00 60.35 H new ATOM 0 HA LYS A 104 -6.076 -5.869 9.409 1.00 71.11 H new ATOM 0 HB2 LYS A 104 -7.403 -5.820 11.410 1.00 41.45 H new ATOM 0 HB3 LYS A 104 -7.420 -4.205 10.730 1.00 41.45 H new ATOM 0 HG2 LYS A 104 -9.659 -4.287 10.951 1.00 31.35 H new ATOM 0 HG3 LYS A 104 -9.652 -5.345 9.554 1.00 31.35 H new ATOM 0 HD2 LYS A 104 -9.774 -7.308 10.875 1.00 5.45 H new ATOM 0 HD3 LYS A 104 -9.211 -6.490 12.318 1.00 5.45 H new ATOM 0 HE2 LYS A 104 -11.302 -5.280 12.547 1.00 13.41 H new ATOM 0 HE3 LYS A 104 -11.853 -5.817 10.972 1.00 13.41 H new ATOM 0 HZ1 LYS A 104 -12.872 -7.095 12.740 1.00 75.43 H new ATOM 0 HZ2 LYS A 104 -11.884 -8.100 11.793 1.00 75.43 H new ATOM 0 HZ3 LYS A 104 -11.351 -7.580 13.318 1.00 75.43 H new ATOM 1636 N GLN A 105 -8.758 -7.159 8.109 1.00 20.22 N ATOM 1637 CA GLN A 105 -9.403 -8.409 7.723 1.00 2.50 C ATOM 1638 C GLN A 105 -8.674 -9.058 6.551 1.00 1.31 C ATOM 1639 O GLN A 105 -9.278 -9.360 5.522 1.00 23.51 O ATOM 1640 CB GLN A 105 -10.866 -8.158 7.353 1.00 71.12 C ATOM 1641 CG GLN A 105 -11.689 -7.572 8.489 1.00 51.44 C ATOM 1642 CD GLN A 105 -12.789 -6.652 7.997 1.00 34.34 C ATOM 1643 OE1 GLN A 105 -13.904 -7.094 7.717 1.00 35.02 O ATOM 1644 NE2 GLN A 105 -12.482 -5.365 7.891 1.00 5.01 N ATOM 0 H GLN A 105 -9.157 -6.326 7.676 1.00 20.22 H new ATOM 0 HA GLN A 105 -9.362 -9.089 8.574 1.00 2.50 H new ATOM 0 HB2 GLN A 105 -10.905 -7.481 6.500 1.00 71.12 H new ATOM 0 HB3 GLN A 105 -11.318 -9.098 7.035 1.00 71.12 H new ATOM 0 HG2 GLN A 105 -12.130 -8.383 9.069 1.00 51.44 H new ATOM 0 HG3 GLN A 105 -11.032 -7.020 9.161 1.00 51.44 H new ATOM 0 HE21 GLN A 105 -11.545 -5.042 8.134 1.00 5.01 H new ATOM 0 HE22 GLN A 105 -13.183 -4.699 7.567 1.00 5.01 H new ATOM 1653 N SER A 106 -7.372 -9.269 6.715 1.00 65.04 N ATOM 1654 CA SER A 106 -6.560 -9.880 5.669 1.00 3.31 C ATOM 1655 C SER A 106 -5.111 -10.028 6.124 1.00 22.41 C ATOM 1656 O SER A 106 -4.674 -9.368 7.065 1.00 20.02 O ATOM 1657 CB SER A 106 -6.621 -9.040 4.392 1.00 5.30 C ATOM 1658 OG SER A 106 -5.601 -9.418 3.483 1.00 61.21 O ATOM 0 H SER A 106 -6.857 -9.026 7.561 1.00 65.04 H new ATOM 0 HA SER A 106 -6.962 -10.872 5.463 1.00 3.31 H new ATOM 0 HB2 SER A 106 -7.596 -9.161 3.920 1.00 5.30 H new ATOM 0 HB3 SER A 106 -6.516 -7.984 4.642 1.00 5.30 H new ATOM 0 HG SER A 106 -5.663 -8.868 2.675 1.00 61.21 H new ATOM 1664 N GLU A 107 -4.371 -10.903 5.448 1.00 53.51 N ATOM 1665 CA GLU A 107 -2.973 -11.140 5.783 1.00 4.43 C ATOM 1666 C GLU A 107 -2.072 -10.874 4.579 1.00 54.11 C ATOM 1667 O GLU A 107 -2.412 -11.216 3.448 1.00 30.41 O ATOM 1668 CB GLU A 107 -2.778 -12.576 6.272 1.00 3.22 C ATOM 1669 CG GLU A 107 -1.374 -12.864 6.774 1.00 12.35 C ATOM 1670 CD GLU A 107 -1.108 -14.346 6.949 1.00 43.03 C ATOM 1671 OE1 GLU A 107 -1.071 -15.065 5.928 1.00 24.02 O ATOM 1672 OE2 GLU A 107 -0.937 -14.787 8.104 1.00 73.53 O ATOM 0 H GLU A 107 -4.717 -11.458 4.666 1.00 53.51 H new ATOM 0 HA GLU A 107 -2.696 -10.452 6.582 1.00 4.43 H new ATOM 0 HB2 GLU A 107 -3.489 -12.778 7.073 1.00 3.22 H new ATOM 0 HB3 GLU A 107 -3.011 -13.263 5.458 1.00 3.22 H new ATOM 0 HG2 GLU A 107 -0.650 -12.449 6.073 1.00 12.35 H new ATOM 0 HG3 GLU A 107 -1.222 -12.357 7.727 1.00 12.35 H new ATOM 1680 N GLY A 108 -0.921 -10.259 4.834 1.00 4.12 N ATOM 1681 CA GLY A 108 0.010 -9.957 3.762 1.00 0.45 C ATOM 1682 C GLY A 108 1.417 -10.433 4.066 1.00 44.03 C ATOM 1683 O GLY A 108 1.765 -10.668 5.224 1.00 43.44 O ATOM 0 H GLY A 108 -0.617 -9.965 5.762 1.00 4.12 H new ATOM 0 HA2 GLY A 108 -0.337 -10.424 2.841 1.00 0.45 H new ATOM 0 HA3 GLY A 108 0.023 -8.881 3.588 1.00 0.45 H new ATOM 1687 N SER A 109 2.229 -10.578 3.023 1.00 63.10 N ATOM 1688 CA SER A 109 3.604 -11.035 3.183 1.00 25.43 C ATOM 1689 C SER A 109 4.542 -10.272 2.252 1.00 33.24 C ATOM 1690 O SER A 109 4.109 -9.411 1.488 1.00 30.31 O ATOM 1691 CB SER A 109 3.701 -12.537 2.903 1.00 11.14 C ATOM 1692 OG SER A 109 3.318 -13.292 4.039 1.00 41.31 O ATOM 0 H SER A 109 1.958 -10.386 2.059 1.00 63.10 H new ATOM 0 HA SER A 109 3.906 -10.844 4.213 1.00 25.43 H new ATOM 0 HB2 SER A 109 3.062 -12.795 2.058 1.00 11.14 H new ATOM 0 HB3 SER A 109 4.722 -12.792 2.620 1.00 11.14 H new ATOM 0 HG SER A 109 2.804 -12.725 4.651 1.00 41.31 H new TER 1698 SER A 109