USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 891 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 14 MET CE :methyl 167:sc= -0.547 (180deg=-0.472) USER MOD Set 1.2: A 41 CYS SG : rot 68:sc= 0.486 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0696 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0.00941 USER MOD Single : A 5 SER OG : rot -77:sc= 1.06 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.19) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.246 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.698 K(o=0.7,f=-5!) USER MOD Single : A 62 THR OG1 : rot -31:sc= 0.267 USER MOD Single : A 63 SER OG : rot 115:sc= 1.3 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 100:sc= -0.0524 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= 0.941 (180deg=0.271) USER MOD Single : A 86 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.41) USER MOD Single : A 88 ASN : amide:sc= 0.909 K(o=0.91,f=-1.5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 91 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.48) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -12:sc= -1.36! USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.39 K(o=1.4,f=-6.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.327 24.428 -17.564 1.00 62.15 N ATOM 2 CA GLY A 1 -10.492 25.201 -17.112 1.00 71.35 C ATOM 3 C GLY A 1 -10.144 25.964 -15.852 1.00 12.33 C ATOM 4 O GLY A 1 -9.333 25.491 -15.057 1.00 3.12 O ATOM 0 H1 GLY A 1 -9.619 23.452 -17.775 1.00 62.15 H new ATOM 0 H2 GLY A 1 -8.932 24.865 -18.421 1.00 62.15 H new ATOM 0 H3 GLY A 1 -8.605 24.419 -16.816 1.00 62.15 H new ATOM 0 HA2 GLY A 1 -10.805 25.894 -17.893 1.00 71.35 H new ATOM 0 HA3 GLY A 1 -11.332 24.533 -16.923 1.00 71.35 H new ATOM 8 N CYS A 2 -10.705 27.163 -15.682 1.00 34.10 N ATOM 9 CA CYS A 2 -10.542 27.947 -14.464 1.00 2.02 C ATOM 10 C CYS A 2 -11.263 27.225 -13.324 1.00 25.23 C ATOM 11 O CYS A 2 -10.634 26.862 -12.330 1.00 1.32 O ATOM 12 CB CYS A 2 -11.096 29.370 -14.653 1.00 71.32 C ATOM 13 SG CYS A 2 -10.451 30.149 -16.166 1.00 30.30 S ATOM 0 H CYS A 2 -11.285 27.615 -16.388 1.00 34.10 H new ATOM 0 HA CYS A 2 -9.483 28.042 -14.224 1.00 2.02 H new ATOM 0 HB2 CYS A 2 -12.184 29.334 -14.698 1.00 71.32 H new ATOM 0 HB3 CYS A 2 -10.833 29.980 -13.789 1.00 71.32 H new ATOM 0 HG CYS A 2 -10.947 31.345 -16.284 1.00 30.30 H new ATOM 19 N GLU A 3 -12.569 26.985 -13.499 1.00 32.31 N ATOM 20 CA GLU A 3 -13.433 26.407 -12.471 1.00 14.33 C ATOM 21 C GLU A 3 -13.357 27.242 -11.172 1.00 63.43 C ATOM 22 O GLU A 3 -12.995 28.422 -11.226 1.00 11.33 O ATOM 23 CB GLU A 3 -13.157 24.897 -12.326 1.00 23.52 C ATOM 24 CG GLU A 3 -14.460 24.090 -12.183 1.00 13.04 C ATOM 25 CD GLU A 3 -14.191 22.610 -11.888 1.00 2.12 C ATOM 26 OE1 GLU A 3 -13.382 22.335 -10.971 1.00 64.35 O ATOM 27 OE2 GLU A 3 -14.774 21.722 -12.559 1.00 22.10 O ATOM 0 H GLU A 3 -13.058 27.191 -14.370 1.00 32.31 H new ATOM 0 HA GLU A 3 -14.481 26.463 -12.767 1.00 14.33 H new ATOM 0 HB2 GLU A 3 -12.604 24.543 -13.196 1.00 23.52 H new ATOM 0 HB3 GLU A 3 -12.525 24.725 -11.455 1.00 23.52 H new ATOM 0 HG2 GLU A 3 -15.063 24.515 -11.381 1.00 13.04 H new ATOM 0 HG3 GLU A 3 -15.042 24.177 -13.100 1.00 13.04 H new ATOM 34 N LEU A 4 -13.806 26.705 -10.033 1.00 21.24 N ATOM 35 CA LEU A 4 -13.767 27.387 -8.739 1.00 14.03 C ATOM 36 C LEU A 4 -12.876 26.603 -7.768 1.00 2.10 C ATOM 37 O LEU A 4 -12.435 25.489 -8.061 1.00 72.51 O ATOM 38 CB LEU A 4 -15.190 27.588 -8.172 1.00 25.51 C ATOM 39 CG LEU A 4 -16.054 28.595 -8.962 1.00 51.02 C ATOM 40 CD1 LEU A 4 -16.863 27.932 -10.089 1.00 44.42 C ATOM 41 CD2 LEU A 4 -17.045 29.292 -8.020 1.00 62.22 C ATOM 0 H LEU A 4 -14.212 25.771 -9.985 1.00 21.24 H new ATOM 0 HA LEU A 4 -13.337 28.380 -8.875 1.00 14.03 H new ATOM 0 HB2 LEU A 4 -15.700 26.625 -8.154 1.00 25.51 H new ATOM 0 HB3 LEU A 4 -15.112 27.927 -7.139 1.00 25.51 H new ATOM 0 HG LEU A 4 -15.360 29.308 -9.407 1.00 51.02 H new ATOM 0 HD11 LEU A 4 -17.451 28.689 -10.609 1.00 44.42 H new ATOM 0 HD12 LEU A 4 -16.182 27.454 -10.793 1.00 44.42 H new ATOM 0 HD13 LEU A 4 -17.531 27.182 -9.665 1.00 44.42 H new ATOM 0 HD21 LEU A 4 -17.649 30.000 -8.587 1.00 62.22 H new ATOM 0 HD22 LEU A 4 -17.695 28.547 -7.560 1.00 62.22 H new ATOM 0 HD23 LEU A 4 -16.496 29.824 -7.243 1.00 62.22 H new ATOM 53 N SER A 5 -12.619 27.179 -6.596 1.00 44.32 N ATOM 54 CA SER A 5 -11.989 26.536 -5.458 1.00 43.34 C ATOM 55 C SER A 5 -12.643 27.123 -4.211 1.00 71.35 C ATOM 56 O SER A 5 -13.108 28.266 -4.237 1.00 44.22 O ATOM 57 CB SER A 5 -10.480 26.839 -5.471 1.00 70.35 C ATOM 58 OG SER A 5 -9.772 25.985 -4.589 1.00 11.10 O ATOM 0 H SER A 5 -12.858 28.153 -6.411 1.00 44.32 H new ATOM 0 HA SER A 5 -12.113 25.453 -5.484 1.00 43.34 H new ATOM 0 HB2 SER A 5 -10.093 26.721 -6.483 1.00 70.35 H new ATOM 0 HB3 SER A 5 -10.314 27.878 -5.185 1.00 70.35 H new ATOM 0 HG SER A 5 -9.904 26.286 -3.666 1.00 11.10 H new ATOM 64 N ASP A 6 -12.613 26.366 -3.119 1.00 32.33 N ATOM 65 CA ASP A 6 -12.672 26.925 -1.773 1.00 21.13 C ATOM 66 C ASP A 6 -11.290 27.548 -1.493 1.00 13.02 C ATOM 67 O ASP A 6 -10.309 27.045 -2.052 1.00 65.22 O ATOM 68 CB ASP A 6 -12.966 25.796 -0.779 1.00 25.00 C ATOM 69 CG ASP A 6 -14.043 26.166 0.238 1.00 24.04 C ATOM 70 OD1 ASP A 6 -15.237 26.129 -0.150 1.00 23.00 O ATOM 71 OD2 ASP A 6 -13.728 26.440 1.414 1.00 11.31 O ATOM 0 H ASP A 6 -12.547 25.348 -3.142 1.00 32.33 H new ATOM 0 HA ASP A 6 -13.455 27.677 -1.676 1.00 21.13 H new ATOM 0 HB2 ASP A 6 -13.281 24.908 -1.328 1.00 25.00 H new ATOM 0 HB3 ASP A 6 -12.049 25.535 -0.251 1.00 25.00 H new ATOM 76 N PRO A 7 -11.165 28.602 -0.663 1.00 42.21 N ATOM 77 CA PRO A 7 -9.886 29.281 -0.430 1.00 11.31 C ATOM 78 C PRO A 7 -8.928 28.470 0.447 1.00 53.22 C ATOM 79 O PRO A 7 -7.724 28.441 0.200 1.00 50.12 O ATOM 80 CB PRO A 7 -10.237 30.594 0.273 1.00 53.02 C ATOM 81 CG PRO A 7 -11.597 30.325 0.922 1.00 42.15 C ATOM 82 CD PRO A 7 -12.255 29.331 -0.033 1.00 31.23 C ATOM 0 HA PRO A 7 -9.369 29.427 -1.379 1.00 11.31 H new ATOM 0 HB2 PRO A 7 -9.487 30.859 1.018 1.00 53.02 H new ATOM 0 HB3 PRO A 7 -10.291 31.422 -0.434 1.00 53.02 H new ATOM 0 HG2 PRO A 7 -11.489 29.909 1.923 1.00 42.15 H new ATOM 0 HG3 PRO A 7 -12.184 31.238 1.018 1.00 42.15 H new ATOM 0 HD2 PRO A 7 -12.919 28.654 0.505 1.00 31.23 H new ATOM 0 HD3 PRO A 7 -12.861 29.847 -0.777 1.00 31.23 H new ATOM 90 N ASP A 8 -9.445 27.843 1.502 1.00 65.22 N ATOM 91 CA ASP A 8 -8.721 26.869 2.307 1.00 24.21 C ATOM 92 C ASP A 8 -9.733 25.774 2.616 1.00 44.32 C ATOM 93 O ASP A 8 -10.303 25.695 3.704 1.00 4.41 O ATOM 94 CB ASP A 8 -8.072 27.488 3.561 1.00 64.51 C ATOM 95 CG ASP A 8 -7.124 26.503 4.268 1.00 63.22 C ATOM 96 OD1 ASP A 8 -7.325 25.270 4.187 1.00 34.41 O ATOM 97 OD2 ASP A 8 -6.117 26.961 4.861 1.00 1.24 O ATOM 0 H ASP A 8 -10.399 28.003 1.825 1.00 65.22 H new ATOM 0 HA ASP A 8 -7.864 26.463 1.771 1.00 24.21 H new ATOM 0 HB2 ASP A 8 -7.518 28.383 3.278 1.00 64.51 H new ATOM 0 HB3 ASP A 8 -8.852 27.802 4.255 1.00 64.51 H new ATOM 102 N GLY A 9 -10.090 25.023 1.580 1.00 42.22 N ATOM 103 CA GLY A 9 -11.120 23.988 1.635 1.00 24.40 C ATOM 104 C GLY A 9 -11.023 23.027 0.450 1.00 72.25 C ATOM 105 O GLY A 9 -12.038 22.522 -0.031 1.00 65.31 O ATOM 0 H GLY A 9 -9.663 25.118 0.658 1.00 42.22 H new ATOM 0 HA2 GLY A 9 -11.024 23.429 2.566 1.00 24.40 H new ATOM 0 HA3 GLY A 9 -12.105 24.455 1.644 1.00 24.40 H new ATOM 109 N LEU A 10 -9.811 22.842 -0.075 1.00 41.43 N ATOM 110 CA LEU A 10 -9.463 21.920 -1.152 1.00 41.35 C ATOM 111 C LEU A 10 -9.123 20.535 -0.567 1.00 2.20 C ATOM 112 O LEU A 10 -9.233 20.344 0.653 1.00 1.03 O ATOM 113 CB LEU A 10 -8.336 22.497 -2.035 1.00 62.45 C ATOM 114 CG LEU A 10 -7.246 23.286 -1.286 1.00 63.34 C ATOM 115 CD1 LEU A 10 -5.863 23.018 -1.876 1.00 42.33 C ATOM 116 CD2 LEU A 10 -7.592 24.780 -1.357 1.00 5.23 C ATOM 0 H LEU A 10 -9.001 23.363 0.261 1.00 41.43 H new ATOM 0 HA LEU A 10 -10.322 21.791 -1.810 1.00 41.35 H new ATOM 0 HB2 LEU A 10 -7.862 21.675 -2.571 1.00 62.45 H new ATOM 0 HB3 LEU A 10 -8.783 23.150 -2.784 1.00 62.45 H new ATOM 0 HG LEU A 10 -7.215 22.963 -0.245 1.00 63.34 H new ATOM 0 HD11 LEU A 10 -5.116 23.589 -1.326 1.00 42.33 H new ATOM 0 HD12 LEU A 10 -5.635 21.955 -1.800 1.00 42.33 H new ATOM 0 HD13 LEU A 10 -5.850 23.318 -2.924 1.00 42.33 H new ATOM 0 HD21 LEU A 10 -6.830 25.355 -0.831 1.00 5.23 H new ATOM 0 HD22 LEU A 10 -7.630 25.096 -2.400 1.00 5.23 H new ATOM 0 HD23 LEU A 10 -8.562 24.951 -0.891 1.00 5.23 H new ATOM 128 N ALA A 11 -8.702 19.577 -1.409 1.00 54.04 N ATOM 129 CA ALA A 11 -8.239 18.253 -0.995 1.00 53.05 C ATOM 130 C ALA A 11 -6.949 17.848 -1.725 1.00 63.55 C ATOM 131 O ALA A 11 -6.960 17.319 -2.843 1.00 12.02 O ATOM 132 CB ALA A 11 -9.362 17.227 -1.154 1.00 5.10 C ATOM 0 H ALA A 11 -8.676 19.710 -2.420 1.00 54.04 H new ATOM 0 HA ALA A 11 -7.980 18.289 0.063 1.00 53.05 H new ATOM 0 HB1 ALA A 11 -9.005 16.245 -0.843 1.00 5.10 H new ATOM 0 HB2 ALA A 11 -10.211 17.518 -0.535 1.00 5.10 H new ATOM 0 HB3 ALA A 11 -9.672 17.186 -2.198 1.00 5.10 H new ATOM 138 N ASP A 12 -5.816 18.131 -1.086 1.00 23.52 N ATOM 139 CA ASP A 12 -4.456 17.729 -1.462 1.00 32.14 C ATOM 140 C ASP A 12 -4.249 16.202 -1.349 1.00 4.12 C ATOM 141 O ASP A 12 -5.028 15.533 -0.669 1.00 21.32 O ATOM 142 CB ASP A 12 -3.445 18.457 -0.550 1.00 13.14 C ATOM 143 CG ASP A 12 -2.381 19.277 -1.280 1.00 63.42 C ATOM 144 OD1 ASP A 12 -2.460 19.449 -2.516 1.00 54.02 O ATOM 145 OD2 ASP A 12 -1.420 19.673 -0.580 1.00 32.14 O ATOM 0 H ASP A 12 -5.821 18.687 -0.231 1.00 23.52 H new ATOM 0 HA ASP A 12 -4.299 18.004 -2.505 1.00 32.14 H new ATOM 0 HB2 ASP A 12 -3.995 19.119 0.119 1.00 13.14 H new ATOM 0 HB3 ASP A 12 -2.945 17.717 0.074 1.00 13.14 H new ATOM 150 N PRO A 13 -3.192 15.613 -1.938 1.00 3.23 N ATOM 151 CA PRO A 13 -2.860 14.201 -1.745 1.00 12.34 C ATOM 152 C PRO A 13 -2.081 13.977 -0.435 1.00 12.20 C ATOM 153 O PRO A 13 -1.688 14.926 0.257 1.00 45.22 O ATOM 154 CB PRO A 13 -2.015 13.842 -2.967 1.00 73.44 C ATOM 155 CG PRO A 13 -1.224 15.130 -3.183 1.00 10.01 C ATOM 156 CD PRO A 13 -2.253 16.213 -2.874 1.00 10.20 C ATOM 0 HA PRO A 13 -3.749 13.576 -1.658 1.00 12.34 H new ATOM 0 HB2 PRO A 13 -1.364 12.988 -2.779 1.00 73.44 H new ATOM 0 HB3 PRO A 13 -2.630 13.589 -3.831 1.00 73.44 H new ATOM 0 HG2 PRO A 13 -0.361 15.191 -2.520 1.00 10.01 H new ATOM 0 HG3 PRO A 13 -0.848 15.208 -4.203 1.00 10.01 H new ATOM 0 HD2 PRO A 13 -1.777 17.092 -2.440 1.00 10.20 H new ATOM 0 HD3 PRO A 13 -2.761 16.540 -3.781 1.00 10.20 H new ATOM 164 N MET A 14 -1.806 12.714 -0.096 1.00 10.24 N ATOM 165 CA MET A 14 -1.031 12.355 1.082 1.00 2.03 C ATOM 166 C MET A 14 0.449 12.559 0.760 1.00 13.20 C ATOM 167 O MET A 14 1.007 11.871 -0.093 1.00 41.31 O ATOM 168 CB MET A 14 -1.263 10.889 1.482 1.00 23.41 C ATOM 169 CG MET A 14 -2.749 10.564 1.657 1.00 5.44 C ATOM 170 SD MET A 14 -3.165 8.857 2.125 1.00 5.31 S ATOM 171 CE MET A 14 -2.252 8.726 3.674 1.00 74.45 C ATOM 0 H MET A 14 -2.120 11.910 -0.640 1.00 10.24 H new ATOM 0 HA MET A 14 -1.343 12.984 1.916 1.00 2.03 H new ATOM 0 HB2 MET A 14 -0.837 10.235 0.721 1.00 23.41 H new ATOM 0 HB3 MET A 14 -0.735 10.681 2.413 1.00 23.41 H new ATOM 0 HG2 MET A 14 -3.156 11.233 2.415 1.00 5.44 H new ATOM 0 HG3 MET A 14 -3.260 10.794 0.722 1.00 5.44 H new ATOM 0 HE1 MET A 14 -2.575 7.835 4.212 1.00 74.45 H new ATOM 0 HE2 MET A 14 -1.185 8.656 3.463 1.00 74.45 H new ATOM 0 HE3 MET A 14 -2.444 9.608 4.285 1.00 74.45 H new ATOM 181 N LYS A 15 1.130 13.496 1.420 1.00 70.45 N ATOM 182 CA LYS A 15 2.586 13.621 1.277 1.00 70.35 C ATOM 183 C LYS A 15 3.284 12.579 2.148 1.00 63.32 C ATOM 184 O LYS A 15 2.915 12.419 3.318 1.00 32.21 O ATOM 185 CB LYS A 15 3.047 15.046 1.603 1.00 11.04 C ATOM 186 CG LYS A 15 2.334 16.073 0.714 1.00 53.35 C ATOM 187 CD LYS A 15 2.810 17.510 0.990 1.00 25.20 C ATOM 188 CE LYS A 15 1.641 18.498 0.883 1.00 10.11 C ATOM 189 NZ LYS A 15 1.016 18.526 -0.460 1.00 62.11 N ATOM 0 H LYS A 15 0.705 14.174 2.053 1.00 70.45 H new ATOM 0 HA LYS A 15 2.861 13.430 0.240 1.00 70.35 H new ATOM 0 HB2 LYS A 15 2.846 15.266 2.651 1.00 11.04 H new ATOM 0 HB3 LYS A 15 4.125 15.124 1.462 1.00 11.04 H new ATOM 0 HG2 LYS A 15 2.510 15.829 -0.334 1.00 53.35 H new ATOM 0 HG3 LYS A 15 1.259 16.010 0.880 1.00 53.35 H new ATOM 0 HD2 LYS A 15 3.251 17.567 1.985 1.00 25.20 H new ATOM 0 HD3 LYS A 15 3.590 17.783 0.279 1.00 25.20 H new ATOM 0 HE2 LYS A 15 0.884 18.236 1.622 1.00 10.11 H new ATOM 0 HE3 LYS A 15 1.996 19.498 1.131 1.00 10.11 H new ATOM 0 HZ1 LYS A 15 0.213 19.187 -0.456 1.00 62.11 H new ATOM 0 HZ2 LYS A 15 1.717 18.837 -1.163 1.00 62.11 H new ATOM 0 HZ3 LYS A 15 0.679 17.573 -0.706 1.00 62.11 H new ATOM 203 N TRP A 16 4.338 11.949 1.630 1.00 43.34 N ATOM 204 CA TRP A 16 5.127 10.922 2.316 1.00 30.30 C ATOM 205 C TRP A 16 6.598 11.343 2.290 1.00 72.34 C ATOM 206 O TRP A 16 7.033 11.928 1.299 1.00 65.54 O ATOM 207 CB TRP A 16 4.970 9.572 1.598 1.00 23.44 C ATOM 208 CG TRP A 16 3.576 9.046 1.425 1.00 62.42 C ATOM 209 CD1 TRP A 16 2.756 9.341 0.391 1.00 1.22 C ATOM 210 CD2 TRP A 16 2.838 8.091 2.248 1.00 24.54 C ATOM 211 NE1 TRP A 16 1.575 8.642 0.511 1.00 71.22 N ATOM 212 CE2 TRP A 16 1.556 7.877 1.658 1.00 30.33 C ATOM 213 CE3 TRP A 16 3.132 7.367 3.425 1.00 42.12 C ATOM 214 CZ2 TRP A 16 0.603 7.020 2.231 1.00 62.44 C ATOM 215 CZ3 TRP A 16 2.178 6.513 4.014 1.00 64.34 C ATOM 216 CH2 TRP A 16 0.911 6.349 3.426 1.00 21.41 C ATOM 0 H TRP A 16 4.679 12.145 0.689 1.00 43.34 H new ATOM 0 HA TRP A 16 4.781 10.817 3.344 1.00 30.30 H new ATOM 0 HB2 TRP A 16 5.423 9.660 0.610 1.00 23.44 H new ATOM 0 HB3 TRP A 16 5.546 8.828 2.148 1.00 23.44 H new ATOM 0 HD1 TRP A 16 2.992 10.024 -0.411 1.00 1.22 H new ATOM 0 HE1 TRP A 16 0.811 8.685 -0.163 1.00 71.22 H new ATOM 0 HE3 TRP A 16 4.105 7.470 3.882 1.00 42.12 H new ATOM 0 HZ2 TRP A 16 -0.357 6.878 1.758 1.00 62.44 H new ATOM 0 HZ3 TRP A 16 2.421 5.981 4.922 1.00 64.34 H new ATOM 0 HH2 TRP A 16 0.177 5.709 3.892 1.00 21.41 H new ATOM 227 N SER A 17 7.370 11.041 3.336 1.00 73.35 N ATOM 228 CA SER A 17 8.818 11.295 3.377 1.00 25.30 C ATOM 229 C SER A 17 9.701 10.047 3.475 1.00 5.31 C ATOM 230 O SER A 17 10.901 10.149 3.212 1.00 14.30 O ATOM 231 CB SER A 17 9.149 12.262 4.511 1.00 25.14 C ATOM 232 OG SER A 17 8.689 13.552 4.185 1.00 74.22 O ATOM 0 H SER A 17 7.008 10.610 4.187 1.00 73.35 H new ATOM 0 HA SER A 17 9.056 11.735 2.409 1.00 25.30 H new ATOM 0 HB2 SER A 17 8.685 11.923 5.437 1.00 25.14 H new ATOM 0 HB3 SER A 17 10.225 12.282 4.682 1.00 25.14 H new ATOM 0 HG SER A 17 8.902 14.169 4.916 1.00 74.22 H new ATOM 238 N LYS A 18 9.162 8.877 3.820 1.00 25.12 N ATOM 239 CA LYS A 18 9.830 7.608 3.520 1.00 53.42 C ATOM 240 C LYS A 18 8.911 6.936 2.528 1.00 72.51 C ATOM 241 O LYS A 18 7.718 6.864 2.803 1.00 14.42 O ATOM 242 CB LYS A 18 10.097 6.743 4.772 1.00 22.32 C ATOM 243 CG LYS A 18 11.540 6.887 5.285 1.00 31.53 C ATOM 244 CD LYS A 18 11.948 8.289 5.785 1.00 31.13 C ATOM 245 CE LYS A 18 13.128 8.895 5.008 1.00 61.14 C ATOM 246 NZ LYS A 18 14.414 8.212 5.276 1.00 21.50 N ATOM 0 H LYS A 18 8.270 8.781 4.305 1.00 25.12 H new ATOM 0 HA LYS A 18 10.831 7.764 3.118 1.00 53.42 H new ATOM 0 HB2 LYS A 18 9.403 7.028 5.562 1.00 22.32 H new ATOM 0 HB3 LYS A 18 9.900 5.697 4.537 1.00 22.32 H new ATOM 0 HG2 LYS A 18 11.687 6.177 6.099 1.00 31.53 H new ATOM 0 HG3 LYS A 18 12.219 6.598 4.483 1.00 31.53 H new ATOM 0 HD2 LYS A 18 11.091 8.958 5.708 1.00 31.13 H new ATOM 0 HD3 LYS A 18 12.211 8.228 6.841 1.00 31.13 H new ATOM 0 HE2 LYS A 18 12.914 8.848 3.940 1.00 61.14 H new ATOM 0 HE3 LYS A 18 13.223 9.949 5.268 1.00 61.14 H new ATOM 0 HZ1 LYS A 18 15.170 8.666 4.724 1.00 21.50 H new ATOM 0 HZ2 LYS A 18 14.638 8.279 6.289 1.00 21.50 H new ATOM 0 HZ3 LYS A 18 14.339 7.211 5.003 1.00 21.50 H new ATOM 260 N VAL A 19 9.447 6.492 1.400 1.00 72.45 N ATOM 261 CA VAL A 19 8.805 5.614 0.430 1.00 73.34 C ATOM 262 C VAL A 19 9.900 4.695 -0.137 1.00 62.33 C ATOM 263 O VAL A 19 11.056 5.124 -0.240 1.00 21.11 O ATOM 264 CB VAL A 19 8.089 6.413 -0.690 1.00 63.31 C ATOM 265 CG1 VAL A 19 6.879 7.194 -0.163 1.00 4.13 C ATOM 266 CG2 VAL A 19 8.997 7.414 -1.423 1.00 1.31 C ATOM 0 H VAL A 19 10.394 6.749 1.121 1.00 72.45 H new ATOM 0 HA VAL A 19 8.024 5.026 0.911 1.00 73.34 H new ATOM 0 HB VAL A 19 7.775 5.642 -1.394 1.00 63.31 H new ATOM 0 HG11 VAL A 19 6.411 7.737 -0.984 1.00 4.13 H new ATOM 0 HG12 VAL A 19 6.159 6.500 0.270 1.00 4.13 H new ATOM 0 HG13 VAL A 19 7.206 7.901 0.600 1.00 4.13 H new ATOM 0 HG21 VAL A 19 8.422 7.932 -2.191 1.00 1.31 H new ATOM 0 HG22 VAL A 19 9.388 8.140 -0.710 1.00 1.31 H new ATOM 0 HG23 VAL A 19 9.826 6.880 -1.889 1.00 1.31 H new ATOM 276 N PRO A 20 9.582 3.448 -0.513 1.00 3.14 N ATOM 277 CA PRO A 20 10.482 2.601 -1.272 1.00 2.12 C ATOM 278 C PRO A 20 10.708 3.230 -2.644 1.00 43.05 C ATOM 279 O PRO A 20 9.758 3.557 -3.362 1.00 42.15 O ATOM 280 CB PRO A 20 9.793 1.238 -1.357 1.00 25.44 C ATOM 281 CG PRO A 20 8.312 1.564 -1.207 1.00 23.30 C ATOM 282 CD PRO A 20 8.291 2.816 -0.344 1.00 41.25 C ATOM 0 HA PRO A 20 11.464 2.489 -0.813 1.00 2.12 H new ATOM 0 HB2 PRO A 20 9.999 0.745 -2.307 1.00 25.44 H new ATOM 0 HB3 PRO A 20 10.136 0.567 -0.569 1.00 25.44 H new ATOM 0 HG2 PRO A 20 7.843 1.740 -2.175 1.00 23.30 H new ATOM 0 HG3 PRO A 20 7.770 0.745 -0.734 1.00 23.30 H new ATOM 0 HD2 PRO A 20 7.487 3.486 -0.650 1.00 41.25 H new ATOM 0 HD3 PRO A 20 8.115 2.564 0.702 1.00 41.25 H new ATOM 290 N SER A 21 11.975 3.364 -3.026 1.00 72.22 N ATOM 291 CA SER A 21 12.387 3.817 -4.347 1.00 61.25 C ATOM 292 C SER A 21 11.911 2.849 -5.449 1.00 21.24 C ATOM 293 O SER A 21 11.862 3.238 -6.615 1.00 71.34 O ATOM 294 CB SER A 21 13.911 3.947 -4.314 1.00 73.51 C ATOM 295 OG SER A 21 14.444 4.689 -5.392 1.00 63.13 O ATOM 0 H SER A 21 12.760 3.155 -2.410 1.00 72.22 H new ATOM 0 HA SER A 21 11.932 4.778 -4.588 1.00 61.25 H new ATOM 0 HB2 SER A 21 14.206 4.421 -3.378 1.00 73.51 H new ATOM 0 HB3 SER A 21 14.351 2.950 -4.319 1.00 73.51 H new ATOM 0 HG SER A 21 15.419 4.734 -5.308 1.00 63.13 H new ATOM 301 N GLY A 22 11.541 1.610 -5.092 1.00 12.40 N ATOM 302 CA GLY A 22 11.016 0.604 -6.009 1.00 44.05 C ATOM 303 C GLY A 22 9.607 0.894 -6.526 1.00 13.33 C ATOM 304 O GLY A 22 9.150 0.203 -7.438 1.00 31.24 O ATOM 0 H GLY A 22 11.603 1.277 -4.130 1.00 12.40 H new ATOM 0 HA2 GLY A 22 11.692 0.518 -6.860 1.00 44.05 H new ATOM 0 HA3 GLY A 22 11.013 -0.363 -5.505 1.00 44.05 H new ATOM 308 N LEU A 23 8.906 1.888 -5.971 1.00 2.42 N ATOM 309 CA LEU A 23 7.710 2.467 -6.567 1.00 10.01 C ATOM 310 C LEU A 23 8.068 3.097 -7.912 1.00 45.14 C ATOM 311 O LEU A 23 9.053 3.827 -8.028 1.00 11.23 O ATOM 312 CB LEU A 23 7.136 3.500 -5.580 1.00 14.04 C ATOM 313 CG LEU A 23 5.941 4.330 -6.097 1.00 71.14 C ATOM 314 CD1 LEU A 23 4.997 4.658 -4.936 1.00 41.22 C ATOM 315 CD2 LEU A 23 6.378 5.660 -6.734 1.00 24.32 C ATOM 0 H LEU A 23 9.162 2.316 -5.081 1.00 2.42 H new ATOM 0 HA LEU A 23 6.952 1.706 -6.756 1.00 10.01 H new ATOM 0 HB2 LEU A 23 6.827 2.977 -4.675 1.00 14.04 H new ATOM 0 HB3 LEU A 23 7.934 4.185 -5.295 1.00 14.04 H new ATOM 0 HG LEU A 23 5.447 3.724 -6.856 1.00 71.14 H new ATOM 0 HD11 LEU A 23 4.155 5.244 -5.306 1.00 41.22 H new ATOM 0 HD12 LEU A 23 4.629 3.732 -4.494 1.00 41.22 H new ATOM 0 HD13 LEU A 23 5.534 5.232 -4.181 1.00 41.22 H new ATOM 0 HD21 LEU A 23 5.499 6.204 -7.080 1.00 24.32 H new ATOM 0 HD22 LEU A 23 6.908 6.261 -5.995 1.00 24.32 H new ATOM 0 HD23 LEU A 23 7.037 5.460 -7.579 1.00 24.32 H new ATOM 327 N LYS A 24 7.229 2.881 -8.919 1.00 12.04 N ATOM 328 CA LYS A 24 7.262 3.575 -10.206 1.00 45.11 C ATOM 329 C LYS A 24 5.846 3.985 -10.583 1.00 50.02 C ATOM 330 O LYS A 24 5.016 3.138 -10.910 1.00 12.20 O ATOM 331 CB LYS A 24 7.913 2.705 -11.300 1.00 12.20 C ATOM 332 CG LYS A 24 9.425 2.939 -11.469 1.00 12.22 C ATOM 333 CD LYS A 24 9.720 4.326 -12.069 1.00 54.11 C ATOM 334 CE LYS A 24 11.196 4.555 -12.404 1.00 11.32 C ATOM 335 NZ LYS A 24 11.632 3.793 -13.586 1.00 24.52 N ATOM 0 H LYS A 24 6.478 2.193 -8.862 1.00 12.04 H new ATOM 0 HA LYS A 24 7.879 4.469 -10.116 1.00 45.11 H new ATOM 0 HB2 LYS A 24 7.743 1.655 -11.064 1.00 12.20 H new ATOM 0 HB3 LYS A 24 7.417 2.903 -12.250 1.00 12.20 H new ATOM 0 HG2 LYS A 24 9.918 2.848 -10.501 1.00 12.22 H new ATOM 0 HG3 LYS A 24 9.844 2.166 -12.114 1.00 12.22 H new ATOM 0 HD2 LYS A 24 9.128 4.452 -12.975 1.00 54.11 H new ATOM 0 HD3 LYS A 24 9.394 5.092 -11.366 1.00 54.11 H new ATOM 0 HE2 LYS A 24 11.365 5.618 -12.579 1.00 11.32 H new ATOM 0 HE3 LYS A 24 11.808 4.272 -11.547 1.00 11.32 H new ATOM 0 HZ1 LYS A 24 12.638 3.983 -13.770 1.00 24.52 H new ATOM 0 HZ2 LYS A 24 11.498 2.776 -13.413 1.00 24.52 H new ATOM 0 HZ3 LYS A 24 11.069 4.081 -14.412 1.00 24.52 H new ATOM 349 N ASN A 25 5.566 5.288 -10.522 1.00 4.30 N ATOM 350 CA ASN A 25 4.256 5.903 -10.761 1.00 3.32 C ATOM 351 C ASN A 25 3.151 5.283 -9.891 1.00 61.32 C ATOM 352 O ASN A 25 1.983 5.275 -10.272 1.00 70.33 O ATOM 353 CB ASN A 25 3.916 5.898 -12.265 1.00 22.13 C ATOM 354 CG ASN A 25 3.117 7.129 -12.681 1.00 21.23 C ATOM 355 OD1 ASN A 25 1.913 7.239 -12.470 1.00 74.43 O ATOM 356 ND2 ASN A 25 3.764 8.094 -13.309 1.00 41.15 N ATOM 0 H ASN A 25 6.281 5.978 -10.293 1.00 4.30 H new ATOM 0 HA ASN A 25 4.315 6.946 -10.450 1.00 3.32 H new ATOM 0 HB2 ASN A 25 4.839 5.854 -12.844 1.00 22.13 H new ATOM 0 HB3 ASN A 25 3.346 5.000 -12.504 1.00 22.13 H new ATOM 0 HD21 ASN A 25 3.263 8.927 -13.617 1.00 41.15 H new ATOM 0 HD22 ASN A 25 4.765 8.006 -13.486 1.00 41.15 H new ATOM 363 N GLY A 26 3.509 4.752 -8.719 1.00 34.32 N ATOM 364 CA GLY A 26 2.573 4.154 -7.773 1.00 50.22 C ATOM 365 C GLY A 26 2.503 2.630 -7.863 1.00 54.02 C ATOM 366 O GLY A 26 2.030 2.003 -6.913 1.00 10.23 O ATOM 0 H GLY A 26 4.477 4.727 -8.398 1.00 34.32 H new ATOM 0 HA2 GLY A 26 2.862 4.437 -6.761 1.00 50.22 H new ATOM 0 HA3 GLY A 26 1.579 4.566 -7.948 1.00 50.22 H new ATOM 370 N GLU A 27 2.989 2.018 -8.952 1.00 70.31 N ATOM 371 CA GLU A 27 3.046 0.565 -9.053 1.00 50.44 C ATOM 372 C GLU A 27 4.369 0.087 -8.448 1.00 22.40 C ATOM 373 O GLU A 27 5.428 0.686 -8.656 1.00 73.45 O ATOM 374 CB GLU A 27 2.847 0.098 -10.507 1.00 70.22 C ATOM 375 CG GLU A 27 2.413 -1.381 -10.493 1.00 25.24 C ATOM 376 CD GLU A 27 2.051 -1.958 -11.864 1.00 70.25 C ATOM 377 OE1 GLU A 27 2.846 -1.836 -12.822 1.00 53.14 O ATOM 378 OE2 GLU A 27 1.000 -2.630 -11.978 1.00 13.03 O ATOM 0 H GLU A 27 3.346 2.511 -9.770 1.00 70.31 H new ATOM 0 HA GLU A 27 2.228 0.117 -8.489 1.00 50.44 H new ATOM 0 HB2 GLU A 27 2.092 0.709 -11.001 1.00 70.22 H new ATOM 0 HB3 GLU A 27 3.772 0.216 -11.072 1.00 70.22 H new ATOM 0 HG2 GLU A 27 3.219 -1.977 -10.065 1.00 25.24 H new ATOM 0 HG3 GLU A 27 1.553 -1.486 -9.832 1.00 25.24 H new ATOM 385 N LEU A 28 4.312 -0.978 -7.654 1.00 11.21 N ATOM 386 CA LEU A 28 5.400 -1.515 -6.856 1.00 41.02 C ATOM 387 C LEU A 28 5.780 -2.860 -7.434 1.00 22.31 C ATOM 388 O LEU A 28 5.016 -3.827 -7.359 1.00 65.23 O ATOM 389 CB LEU A 28 4.999 -1.640 -5.378 1.00 21.34 C ATOM 390 CG LEU A 28 5.255 -0.400 -4.512 1.00 14.12 C ATOM 391 CD1 LEU A 28 6.756 -0.182 -4.294 1.00 41.44 C ATOM 392 CD2 LEU A 28 4.597 0.862 -5.072 1.00 2.14 C ATOM 0 H LEU A 28 3.453 -1.518 -7.547 1.00 11.21 H new ATOM 0 HA LEU A 28 6.254 -0.839 -6.890 1.00 41.02 H new ATOM 0 HB2 LEU A 28 3.938 -1.883 -5.328 1.00 21.34 H new ATOM 0 HB3 LEU A 28 5.539 -2.481 -4.944 1.00 21.34 H new ATOM 0 HG LEU A 28 4.787 -0.595 -3.547 1.00 14.12 H new ATOM 0 HD11 LEU A 28 6.909 0.703 -3.677 1.00 41.44 H new ATOM 0 HD12 LEU A 28 7.181 -1.052 -3.793 1.00 41.44 H new ATOM 0 HD13 LEU A 28 7.247 -0.043 -5.257 1.00 41.44 H new ATOM 0 HD21 LEU A 28 4.813 1.706 -4.417 1.00 2.14 H new ATOM 0 HD22 LEU A 28 4.990 1.066 -6.068 1.00 2.14 H new ATOM 0 HD23 LEU A 28 3.519 0.715 -5.130 1.00 2.14 H new ATOM 404 N LYS A 29 6.958 -2.894 -8.045 1.00 21.23 N ATOM 405 CA LYS A 29 7.495 -4.033 -8.742 1.00 41.04 C ATOM 406 C LYS A 29 8.322 -4.824 -7.728 1.00 43.43 C ATOM 407 O LYS A 29 9.240 -4.271 -7.114 1.00 70.54 O ATOM 408 CB LYS A 29 8.324 -3.472 -9.910 1.00 53.34 C ATOM 409 CG LYS A 29 8.128 -4.247 -11.204 1.00 52.25 C ATOM 410 CD LYS A 29 8.740 -5.637 -11.091 1.00 12.03 C ATOM 411 CE LYS A 29 8.611 -6.283 -12.467 1.00 61.11 C ATOM 412 NZ LYS A 29 9.417 -7.500 -12.615 1.00 70.21 N ATOM 0 H LYS A 29 7.584 -2.089 -8.063 1.00 21.23 H new ATOM 0 HA LYS A 29 6.746 -4.710 -9.153 1.00 41.04 H new ATOM 0 HB2 LYS A 29 8.053 -2.429 -10.073 1.00 53.34 H new ATOM 0 HB3 LYS A 29 9.380 -3.488 -9.640 1.00 53.34 H new ATOM 0 HG2 LYS A 29 7.064 -4.329 -11.428 1.00 52.25 H new ATOM 0 HG3 LYS A 29 8.588 -3.707 -12.032 1.00 52.25 H new ATOM 0 HD2 LYS A 29 9.785 -5.577 -10.788 1.00 12.03 H new ATOM 0 HD3 LYS A 29 8.222 -6.228 -10.335 1.00 12.03 H new ATOM 0 HE2 LYS A 29 7.564 -6.524 -12.651 1.00 61.11 H new ATOM 0 HE3 LYS A 29 8.910 -5.563 -13.228 1.00 61.11 H new ATOM 0 HZ1 LYS A 29 9.491 -7.747 -13.623 1.00 70.21 H new ATOM 0 HZ2 LYS A 29 10.368 -7.336 -12.228 1.00 70.21 H new ATOM 0 HZ3 LYS A 29 8.964 -8.281 -12.100 1.00 70.21 H new ATOM 426 N VAL A 30 7.978 -6.091 -7.533 1.00 22.52 N ATOM 427 CA VAL A 30 8.601 -6.983 -6.565 1.00 32.31 C ATOM 428 C VAL A 30 9.045 -8.233 -7.293 1.00 45.25 C ATOM 429 O VAL A 30 8.564 -8.560 -8.382 1.00 74.42 O ATOM 430 CB VAL A 30 7.592 -7.281 -5.439 1.00 61.23 C ATOM 431 CG1 VAL A 30 8.059 -8.243 -4.328 1.00 12.30 C ATOM 432 CG2 VAL A 30 7.219 -5.944 -4.771 1.00 42.05 C ATOM 0 H VAL A 30 7.232 -6.541 -8.063 1.00 22.52 H new ATOM 0 HA VAL A 30 9.479 -6.530 -6.103 1.00 32.31 H new ATOM 0 HB VAL A 30 6.762 -7.789 -5.930 1.00 61.23 H new ATOM 0 HG11 VAL A 30 7.260 -8.370 -3.597 1.00 12.30 H new ATOM 0 HG12 VAL A 30 8.309 -9.210 -4.765 1.00 12.30 H new ATOM 0 HG13 VAL A 30 8.939 -7.830 -3.835 1.00 12.30 H new ATOM 0 HG21 VAL A 30 6.504 -6.125 -3.968 1.00 42.05 H new ATOM 0 HG22 VAL A 30 8.116 -5.480 -4.361 1.00 42.05 H new ATOM 0 HG23 VAL A 30 6.773 -5.280 -5.511 1.00 42.05 H new ATOM 442 N GLU A 31 9.966 -8.952 -6.673 1.00 44.12 N ATOM 443 CA GLU A 31 10.609 -10.115 -7.235 1.00 11.11 C ATOM 444 C GLU A 31 10.304 -11.345 -6.393 1.00 25.14 C ATOM 445 O GLU A 31 9.773 -11.242 -5.279 1.00 34.12 O ATOM 446 CB GLU A 31 12.103 -9.830 -7.373 1.00 10.02 C ATOM 447 CG GLU A 31 12.810 -9.582 -6.037 1.00 12.10 C ATOM 448 CD GLU A 31 14.276 -9.236 -6.273 1.00 1.10 C ATOM 449 OE1 GLU A 31 14.955 -10.021 -6.969 1.00 33.21 O ATOM 450 OE2 GLU A 31 14.714 -8.129 -5.866 1.00 63.32 O ATOM 0 H GLU A 31 10.294 -8.730 -5.733 1.00 44.12 H new ATOM 0 HA GLU A 31 10.221 -10.330 -8.231 1.00 11.11 H new ATOM 0 HB2 GLU A 31 12.579 -10.672 -7.875 1.00 10.02 H new ATOM 0 HB3 GLU A 31 12.240 -8.959 -8.013 1.00 10.02 H new ATOM 0 HG2 GLU A 31 12.318 -8.769 -5.503 1.00 12.10 H new ATOM 0 HG3 GLU A 31 12.735 -10.469 -5.407 1.00 12.10 H new ATOM 457 N ALA A 32 10.653 -12.517 -6.918 1.00 24.14 N ATOM 458 CA ALA A 32 10.339 -13.817 -6.341 1.00 42.01 C ATOM 459 C ALA A 32 11.236 -14.187 -5.155 1.00 43.25 C ATOM 460 O ALA A 32 11.723 -15.313 -5.053 1.00 45.15 O ATOM 461 CB ALA A 32 10.409 -14.837 -7.460 1.00 21.10 C ATOM 0 H ALA A 32 11.181 -12.588 -7.788 1.00 24.14 H new ATOM 0 HA ALA A 32 9.336 -13.791 -5.914 1.00 42.01 H new ATOM 0 HB1 ALA A 32 10.179 -15.827 -7.065 1.00 21.10 H new ATOM 0 HB2 ALA A 32 9.686 -14.578 -8.234 1.00 21.10 H new ATOM 0 HB3 ALA A 32 11.412 -14.841 -7.887 1.00 21.10 H new ATOM 467 N GLU A 33 11.442 -13.211 -4.283 1.00 23.13 N ATOM 468 CA GLU A 33 12.213 -13.205 -3.050 1.00 34.14 C ATOM 469 C GLU A 33 11.447 -12.417 -1.985 1.00 1.34 C ATOM 470 O GLU A 33 11.602 -12.675 -0.797 1.00 44.01 O ATOM 471 CB GLU A 33 13.548 -12.513 -3.301 1.00 32.10 C ATOM 472 CG GLU A 33 14.455 -13.209 -4.322 1.00 64.25 C ATOM 473 CD GLU A 33 15.813 -13.528 -3.705 1.00 23.33 C ATOM 474 OE1 GLU A 33 15.810 -14.299 -2.717 1.00 3.24 O ATOM 475 OE2 GLU A 33 16.831 -12.982 -4.183 1.00 10.22 O ATOM 0 H GLU A 33 11.022 -12.296 -4.443 1.00 23.13 H new ATOM 0 HA GLU A 33 12.378 -14.229 -2.714 1.00 34.14 H new ATOM 0 HB2 GLU A 33 13.355 -11.496 -3.643 1.00 32.10 H new ATOM 0 HB3 GLU A 33 14.084 -12.435 -2.355 1.00 32.10 H new ATOM 0 HG2 GLU A 33 13.983 -14.128 -4.669 1.00 64.25 H new ATOM 0 HG3 GLU A 33 14.587 -12.569 -5.195 1.00 64.25 H new ATOM 482 N GLY A 34 10.572 -11.492 -2.397 1.00 24.40 N ATOM 483 CA GLY A 34 9.848 -10.587 -1.515 1.00 42.11 C ATOM 484 C GLY A 34 10.789 -9.559 -0.901 1.00 42.05 C ATOM 485 O GLY A 34 12.012 -9.658 -1.030 1.00 71.11 O ATOM 0 H GLY A 34 10.346 -11.354 -3.382 1.00 24.40 H new ATOM 0 HA2 GLY A 34 9.062 -10.079 -2.074 1.00 42.11 H new ATOM 0 HA3 GLY A 34 9.359 -11.157 -0.725 1.00 42.11 H new ATOM 489 N GLY A 35 10.233 -8.542 -0.259 1.00 3.44 N ATOM 490 CA GLY A 35 10.996 -7.591 0.531 1.00 41.41 C ATOM 491 C GLY A 35 10.061 -6.696 1.335 1.00 50.23 C ATOM 492 O GLY A 35 8.956 -6.400 0.864 1.00 72.23 O ATOM 0 H GLY A 35 9.231 -8.353 -0.273 1.00 3.44 H new ATOM 0 HA2 GLY A 35 11.667 -8.124 1.204 1.00 41.41 H new ATOM 0 HA3 GLY A 35 11.619 -6.982 -0.124 1.00 41.41 H new ATOM 496 N SER A 36 10.476 -6.218 2.509 1.00 11.22 N ATOM 497 CA SER A 36 9.642 -5.277 3.247 1.00 32.12 C ATOM 498 C SER A 36 9.636 -3.920 2.523 1.00 73.55 C ATOM 499 O SER A 36 10.542 -3.614 1.742 1.00 25.23 O ATOM 500 CB SER A 36 10.080 -5.190 4.713 1.00 50.04 C ATOM 501 OG SER A 36 11.415 -4.780 4.905 1.00 45.02 O ATOM 0 H SER A 36 11.360 -6.460 2.957 1.00 11.22 H new ATOM 0 HA SER A 36 8.611 -5.631 3.271 1.00 32.12 H new ATOM 0 HB2 SER A 36 9.422 -4.495 5.234 1.00 50.04 H new ATOM 0 HB3 SER A 36 9.944 -6.167 5.177 1.00 50.04 H new ATOM 0 HG SER A 36 11.613 -4.749 5.864 1.00 45.02 H new ATOM 507 N SER A 37 8.627 -3.083 2.749 1.00 74.43 N ATOM 508 CA SER A 37 8.616 -1.695 2.281 1.00 53.02 C ATOM 509 C SER A 37 8.095 -0.759 3.378 1.00 1.11 C ATOM 510 O SER A 37 7.460 -1.212 4.337 1.00 54.05 O ATOM 511 CB SER A 37 7.875 -1.571 0.941 1.00 44.42 C ATOM 512 OG SER A 37 7.029 -2.658 0.628 1.00 30.21 O ATOM 0 H SER A 37 7.788 -3.348 3.265 1.00 74.43 H new ATOM 0 HA SER A 37 9.637 -1.374 2.077 1.00 53.02 H new ATOM 0 HB2 SER A 37 7.280 -0.658 0.954 1.00 44.42 H new ATOM 0 HB3 SER A 37 8.611 -1.460 0.144 1.00 44.42 H new ATOM 0 HG SER A 37 6.597 -2.498 -0.237 1.00 30.21 H new ATOM 518 N LEU A 38 8.426 0.536 3.270 1.00 62.15 N ATOM 519 CA LEU A 38 8.364 1.500 4.365 1.00 12.30 C ATOM 520 C LEU A 38 7.873 2.852 3.849 1.00 45.41 C ATOM 521 O LEU A 38 8.512 3.455 2.980 1.00 53.24 O ATOM 522 CB LEU A 38 9.763 1.647 4.990 1.00 53.15 C ATOM 523 CG LEU A 38 9.703 2.522 6.251 1.00 25.40 C ATOM 524 CD1 LEU A 38 9.440 1.614 7.458 1.00 14.04 C ATOM 525 CD2 LEU A 38 10.909 3.387 6.581 1.00 44.45 C ATOM 0 H LEU A 38 8.752 0.947 2.395 1.00 62.15 H new ATOM 0 HA LEU A 38 7.665 1.145 5.122 1.00 12.30 H new ATOM 0 HB2 LEU A 38 10.160 0.664 5.242 1.00 53.15 H new ATOM 0 HB3 LEU A 38 10.446 2.090 4.265 1.00 53.15 H new ATOM 0 HG LEU A 38 8.909 3.235 6.031 1.00 25.40 H new ATOM 0 HD11 LEU A 38 9.394 2.218 8.364 1.00 14.04 H new ATOM 0 HD12 LEU A 38 8.493 1.092 7.321 1.00 14.04 H new ATOM 0 HD13 LEU A 38 10.246 0.886 7.548 1.00 14.04 H new ATOM 0 HD21 LEU A 38 10.717 3.945 7.497 1.00 44.45 H new ATOM 0 HD22 LEU A 38 11.785 2.753 6.720 1.00 44.45 H new ATOM 0 HD23 LEU A 38 11.092 4.084 5.763 1.00 44.45 H new ATOM 537 N PHE A 39 6.776 3.322 4.433 1.00 51.14 N ATOM 538 CA PHE A 39 5.988 4.474 4.013 1.00 32.31 C ATOM 539 C PHE A 39 5.715 5.400 5.212 1.00 54.04 C ATOM 540 O PHE A 39 4.763 5.165 5.955 1.00 51.41 O ATOM 541 CB PHE A 39 4.683 3.993 3.358 1.00 25.50 C ATOM 542 CG PHE A 39 4.864 3.067 2.173 1.00 12.14 C ATOM 543 CD1 PHE A 39 4.997 3.613 0.886 1.00 63.22 C ATOM 544 CD2 PHE A 39 4.888 1.668 2.349 1.00 42.32 C ATOM 545 CE1 PHE A 39 5.153 2.766 -0.220 1.00 65.33 C ATOM 546 CE2 PHE A 39 5.031 0.819 1.238 1.00 64.22 C ATOM 547 CZ PHE A 39 5.150 1.369 -0.050 1.00 41.01 C ATOM 0 H PHE A 39 6.389 2.879 5.266 1.00 51.14 H new ATOM 0 HA PHE A 39 6.546 5.051 3.276 1.00 32.31 H new ATOM 0 HB2 PHE A 39 4.083 3.482 4.111 1.00 25.50 H new ATOM 0 HB3 PHE A 39 4.114 4.865 3.035 1.00 25.50 H new ATOM 0 HD1 PHE A 39 4.979 4.684 0.749 1.00 63.22 H new ATOM 0 HD2 PHE A 39 4.796 1.248 3.340 1.00 42.32 H new ATOM 0 HE1 PHE A 39 5.276 3.187 -1.207 1.00 65.33 H new ATOM 0 HE2 PHE A 39 5.049 -0.252 1.374 1.00 64.22 H new ATOM 0 HZ PHE A 39 5.239 0.720 -0.909 1.00 41.01 H new ATOM 557 N ALA A 40 6.546 6.424 5.467 1.00 10.40 N ATOM 558 CA ALA A 40 6.317 7.372 6.572 1.00 74.25 C ATOM 559 C ALA A 40 5.535 8.561 6.037 1.00 63.41 C ATOM 560 O ALA A 40 6.024 9.269 5.147 1.00 12.14 O ATOM 561 CB ALA A 40 7.608 7.854 7.244 1.00 24.42 C ATOM 0 H ALA A 40 7.386 6.618 4.921 1.00 10.40 H new ATOM 0 HA ALA A 40 5.755 6.845 7.343 1.00 74.25 H new ATOM 0 HB1 ALA A 40 7.363 8.549 8.047 1.00 24.42 H new ATOM 0 HB2 ALA A 40 8.145 6.999 7.655 1.00 24.42 H new ATOM 0 HB3 ALA A 40 8.235 8.357 6.508 1.00 24.42 H new ATOM 567 N CYS A 41 4.320 8.770 6.540 1.00 62.45 N ATOM 568 CA CYS A 41 3.428 9.770 5.992 1.00 31.10 C ATOM 569 C CYS A 41 3.729 11.106 6.664 1.00 10.40 C ATOM 570 O CYS A 41 3.655 11.208 7.890 1.00 61.53 O ATOM 571 CB CYS A 41 1.993 9.309 6.209 1.00 25.53 C ATOM 572 SG CYS A 41 1.021 9.917 4.823 1.00 13.41 S ATOM 0 H CYS A 41 3.936 8.253 7.331 1.00 62.45 H new ATOM 0 HA CYS A 41 3.572 9.901 4.920 1.00 31.10 H new ATOM 0 HB2 CYS A 41 1.943 8.222 6.266 1.00 25.53 H new ATOM 0 HB3 CYS A 41 1.603 9.696 7.151 1.00 25.53 H new ATOM 0 HG CYS A 41 1.386 9.305 3.735 1.00 13.41 H new ATOM 578 N LYS A 42 4.109 12.123 5.886 1.00 71.32 N ATOM 579 CA LYS A 42 4.656 13.387 6.395 1.00 64.14 C ATOM 580 C LYS A 42 3.606 14.484 6.552 1.00 3.34 C ATOM 581 O LYS A 42 3.920 15.635 6.857 1.00 31.43 O ATOM 582 CB LYS A 42 5.870 13.800 5.549 1.00 53.14 C ATOM 583 CG LYS A 42 5.563 14.569 4.250 1.00 25.40 C ATOM 584 CD LYS A 42 6.510 15.760 3.964 1.00 54.15 C ATOM 585 CE LYS A 42 6.971 15.695 2.502 1.00 74.55 C ATOM 586 NZ LYS A 42 7.907 16.772 2.104 1.00 32.43 N ATOM 0 H LYS A 42 4.045 12.092 4.868 1.00 71.32 H new ATOM 0 HA LYS A 42 5.003 13.224 7.415 1.00 64.14 H new ATOM 0 HB2 LYS A 42 6.524 14.417 6.166 1.00 53.14 H new ATOM 0 HB3 LYS A 42 6.430 12.901 5.291 1.00 53.14 H new ATOM 0 HG2 LYS A 42 5.612 13.874 3.412 1.00 25.40 H new ATOM 0 HG3 LYS A 42 4.539 14.940 4.297 1.00 25.40 H new ATOM 0 HD2 LYS A 42 5.997 16.703 4.155 1.00 54.15 H new ATOM 0 HD3 LYS A 42 7.371 15.725 4.632 1.00 54.15 H new ATOM 0 HE2 LYS A 42 7.451 14.732 2.328 1.00 74.55 H new ATOM 0 HE3 LYS A 42 6.094 15.736 1.856 1.00 74.55 H new ATOM 0 HZ1 LYS A 42 8.168 16.654 1.104 1.00 32.43 H new ATOM 0 HZ2 LYS A 42 7.449 17.696 2.235 1.00 32.43 H new ATOM 0 HZ3 LYS A 42 8.763 16.723 2.693 1.00 32.43 H new ATOM 600 N ASN A 43 2.364 14.170 6.217 1.00 70.34 N ATOM 601 CA ASN A 43 1.262 15.132 6.200 1.00 5.10 C ATOM 602 C ASN A 43 -0.065 14.568 6.732 1.00 30.44 C ATOM 603 O ASN A 43 -0.990 15.342 6.945 1.00 63.52 O ATOM 604 CB ASN A 43 1.161 15.712 4.779 1.00 14.40 C ATOM 605 CG ASN A 43 0.066 16.734 4.618 1.00 52.05 C ATOM 606 OD1 ASN A 43 0.311 17.907 4.880 1.00 45.44 O ATOM 607 ND2 ASN A 43 -1.067 16.314 4.089 1.00 74.31 N ATOM 0 H ASN A 43 2.085 13.228 5.945 1.00 70.34 H new ATOM 0 HA ASN A 43 1.480 15.936 6.903 1.00 5.10 H new ATOM 0 HB2 ASN A 43 2.114 16.169 4.514 1.00 14.40 H new ATOM 0 HB3 ASN A 43 0.992 14.897 4.075 1.00 14.40 H new ATOM 0 HD21 ASN A 43 -1.807 16.982 3.872 1.00 74.31 H new ATOM 0 HD22 ASN A 43 -1.203 15.322 3.897 1.00 74.31 H new ATOM 614 N TYR A 44 -0.174 13.263 7.009 1.00 3.32 N ATOM 615 CA TYR A 44 -1.379 12.654 7.565 1.00 11.04 C ATOM 616 C TYR A 44 -0.987 11.701 8.687 1.00 45.42 C ATOM 617 O TYR A 44 -0.213 10.763 8.478 1.00 74.13 O ATOM 618 CB TYR A 44 -2.201 11.948 6.476 1.00 43.41 C ATOM 619 CG TYR A 44 -3.239 12.839 5.825 1.00 30.43 C ATOM 620 CD1 TYR A 44 -4.424 13.127 6.526 1.00 45.32 C ATOM 621 CD2 TYR A 44 -3.050 13.345 4.525 1.00 71.11 C ATOM 622 CE1 TYR A 44 -5.424 13.902 5.921 1.00 42.01 C ATOM 623 CE2 TYR A 44 -4.051 14.115 3.904 1.00 12.02 C ATOM 624 CZ TYR A 44 -5.259 14.376 4.601 1.00 61.22 C ATOM 625 OH TYR A 44 -6.268 15.117 4.065 1.00 70.53 O ATOM 0 H TYR A 44 0.582 12.597 6.850 1.00 3.32 H new ATOM 0 HA TYR A 44 -2.019 13.434 7.978 1.00 11.04 H new ATOM 0 HB2 TYR A 44 -1.524 11.572 5.708 1.00 43.41 H new ATOM 0 HB3 TYR A 44 -2.700 11.083 6.913 1.00 43.41 H new ATOM 0 HD1 TYR A 44 -4.564 12.752 7.529 1.00 45.32 H new ATOM 0 HD2 TYR A 44 -2.129 13.141 4.000 1.00 71.11 H new ATOM 0 HE1 TYR A 44 -6.325 14.138 6.468 1.00 42.01 H new ATOM 0 HE2 TYR A 44 -3.901 14.503 2.907 1.00 12.02 H new ATOM 0 HH TYR A 44 -6.030 15.383 3.152 1.00 70.53 H new ATOM 635 N LYS A 45 -1.517 11.944 9.884 1.00 63.14 N ATOM 636 CA LYS A 45 -1.314 11.151 11.088 1.00 50.42 C ATOM 637 C LYS A 45 -2.684 10.669 11.548 1.00 31.14 C ATOM 638 O LYS A 45 -3.172 11.071 12.606 1.00 70.22 O ATOM 639 CB LYS A 45 -0.670 12.024 12.162 1.00 53.22 C ATOM 640 CG LYS A 45 0.827 12.224 11.973 1.00 50.43 C ATOM 641 CD LYS A 45 1.409 12.789 13.280 1.00 24.31 C ATOM 642 CE LYS A 45 2.830 12.323 13.574 1.00 45.33 C ATOM 643 NZ LYS A 45 3.843 13.208 12.982 1.00 73.24 N ATOM 0 H LYS A 45 -2.131 12.742 10.045 1.00 63.14 H new ATOM 0 HA LYS A 45 -0.659 10.301 10.898 1.00 50.42 H new ATOM 0 HB2 LYS A 45 -1.160 12.998 12.168 1.00 53.22 H new ATOM 0 HB3 LYS A 45 -0.847 11.573 13.138 1.00 53.22 H new ATOM 0 HG2 LYS A 45 1.307 11.278 11.721 1.00 50.43 H new ATOM 0 HG3 LYS A 45 1.017 12.908 11.146 1.00 50.43 H new ATOM 0 HD2 LYS A 45 1.397 13.878 13.231 1.00 24.31 H new ATOM 0 HD3 LYS A 45 0.763 12.500 14.109 1.00 24.31 H new ATOM 0 HE2 LYS A 45 2.978 12.276 14.653 1.00 45.33 H new ATOM 0 HE3 LYS A 45 2.965 11.312 13.189 1.00 45.33 H new ATOM 0 HZ1 LYS A 45 4.793 12.850 13.209 1.00 73.24 H new ATOM 0 HZ2 LYS A 45 3.721 13.234 11.950 1.00 73.24 H new ATOM 0 HZ3 LYS A 45 3.734 14.168 13.368 1.00 73.24 H new ATOM 657 N SER A 46 -3.339 9.914 10.677 1.00 72.52 N ATOM 658 CA SER A 46 -4.778 9.665 10.756 1.00 31.43 C ATOM 659 C SER A 46 -5.239 8.855 9.543 1.00 70.35 C ATOM 660 O SER A 46 -5.767 9.424 8.584 1.00 50.41 O ATOM 661 CB SER A 46 -5.533 11.006 10.860 1.00 71.22 C ATOM 662 OG SER A 46 -4.905 12.025 10.083 1.00 70.41 O ATOM 0 H SER A 46 -2.886 9.452 9.888 1.00 72.52 H new ATOM 0 HA SER A 46 -4.999 9.081 11.649 1.00 31.43 H new ATOM 0 HB2 SER A 46 -6.561 10.872 10.523 1.00 71.22 H new ATOM 0 HB3 SER A 46 -5.578 11.319 11.903 1.00 71.22 H new ATOM 0 HG SER A 46 -5.410 12.861 10.170 1.00 70.41 H new ATOM 668 N PHE A 47 -5.001 7.541 9.540 1.00 21.12 N ATOM 669 CA PHE A 47 -5.386 6.675 8.431 1.00 3.32 C ATOM 670 C PHE A 47 -5.545 5.227 8.881 1.00 30.14 C ATOM 671 O PHE A 47 -5.034 4.828 9.933 1.00 32.53 O ATOM 672 CB PHE A 47 -4.375 6.800 7.286 1.00 64.14 C ATOM 673 CG PHE A 47 -2.979 6.254 7.499 1.00 45.31 C ATOM 674 CD1 PHE A 47 -2.095 6.886 8.392 1.00 50.45 C ATOM 675 CD2 PHE A 47 -2.511 5.209 6.688 1.00 21.53 C ATOM 676 CE1 PHE A 47 -0.744 6.509 8.436 1.00 11.03 C ATOM 677 CE2 PHE A 47 -1.167 4.817 6.748 1.00 21.40 C ATOM 678 CZ PHE A 47 -0.273 5.477 7.611 1.00 33.22 C ATOM 0 H PHE A 47 -4.537 7.052 10.306 1.00 21.12 H new ATOM 0 HA PHE A 47 -6.359 7.001 8.065 1.00 3.32 H new ATOM 0 HB2 PHE A 47 -4.797 6.302 6.413 1.00 64.14 H new ATOM 0 HB3 PHE A 47 -4.284 7.857 7.036 1.00 64.14 H new ATOM 0 HD1 PHE A 47 -2.458 7.665 9.047 1.00 50.45 H new ATOM 0 HD2 PHE A 47 -3.189 4.705 6.015 1.00 21.53 H new ATOM 0 HE1 PHE A 47 -0.065 7.015 9.107 1.00 11.03 H new ATOM 0 HE2 PHE A 47 -0.816 4.005 6.129 1.00 21.40 H new ATOM 0 HZ PHE A 47 0.768 5.191 7.638 1.00 33.22 H new ATOM 688 N TRP A 48 -6.250 4.449 8.062 1.00 51.11 N ATOM 689 CA TRP A 48 -6.612 3.060 8.304 1.00 70.53 C ATOM 690 C TRP A 48 -6.614 2.291 6.986 1.00 62.22 C ATOM 691 O TRP A 48 -6.361 2.862 5.925 1.00 22.22 O ATOM 692 CB TRP A 48 -7.993 2.990 8.982 1.00 22.40 C ATOM 693 CG TRP A 48 -9.137 3.606 8.237 1.00 70.11 C ATOM 694 CD1 TRP A 48 -10.067 2.917 7.538 1.00 74.14 C ATOM 695 CD2 TRP A 48 -9.503 5.014 8.111 1.00 50.14 C ATOM 696 NE1 TRP A 48 -10.947 3.797 6.945 1.00 32.10 N ATOM 697 CE2 TRP A 48 -10.632 5.104 7.246 1.00 10.52 C ATOM 698 CE3 TRP A 48 -9.000 6.224 8.637 1.00 34.03 C ATOM 699 CZ2 TRP A 48 -11.193 6.333 6.880 1.00 32.13 C ATOM 700 CZ3 TRP A 48 -9.548 7.467 8.267 1.00 31.00 C ATOM 701 CH2 TRP A 48 -10.638 7.523 7.380 1.00 23.40 C ATOM 0 H TRP A 48 -6.600 4.791 7.167 1.00 51.11 H new ATOM 0 HA TRP A 48 -5.879 2.603 8.969 1.00 70.53 H new ATOM 0 HB2 TRP A 48 -8.230 1.942 9.165 1.00 22.40 H new ATOM 0 HB3 TRP A 48 -7.920 3.475 9.956 1.00 22.40 H new ATOM 0 HD1 TRP A 48 -10.113 1.841 7.457 1.00 74.14 H new ATOM 0 HE1 TRP A 48 -11.732 3.516 6.358 1.00 32.10 H new ATOM 0 HE3 TRP A 48 -8.178 6.195 9.337 1.00 34.03 H new ATOM 0 HZ2 TRP A 48 -12.046 6.366 6.218 1.00 32.13 H new ATOM 0 HZ3 TRP A 48 -9.130 8.380 8.665 1.00 31.00 H new ATOM 0 HH2 TRP A 48 -11.047 8.478 7.084 1.00 23.40 H new ATOM 712 N ILE A 49 -6.924 1.002 7.056 1.00 42.33 N ATOM 713 CA ILE A 49 -7.060 0.071 5.952 1.00 32.40 C ATOM 714 C ILE A 49 -8.559 -0.047 5.689 1.00 71.34 C ATOM 715 O ILE A 49 -9.295 -0.372 6.622 1.00 43.55 O ATOM 716 CB ILE A 49 -6.465 -1.291 6.358 1.00 70.35 C ATOM 717 CG1 ILE A 49 -5.028 -1.146 6.905 1.00 63.55 C ATOM 718 CG2 ILE A 49 -6.544 -2.277 5.173 1.00 41.33 C ATOM 719 CD1 ILE A 49 -3.982 -0.812 5.840 1.00 30.42 C ATOM 0 H ILE A 49 -7.099 0.551 7.954 1.00 42.33 H new ATOM 0 HA ILE A 49 -6.534 0.406 5.058 1.00 32.40 H new ATOM 0 HB ILE A 49 -7.060 -1.700 7.175 1.00 70.35 H new ATOM 0 HG12 ILE A 49 -5.018 -0.365 7.665 1.00 63.55 H new ATOM 0 HG13 ILE A 49 -4.744 -2.075 7.399 1.00 63.55 H new ATOM 0 HG21 ILE A 49 -6.121 -3.237 5.470 1.00 41.33 H new ATOM 0 HG22 ILE A 49 -7.586 -2.414 4.882 1.00 41.33 H new ATOM 0 HG23 ILE A 49 -5.981 -1.878 4.329 1.00 41.33 H new ATOM 0 HD11 ILE A 49 -3.001 -0.728 6.307 1.00 30.42 H new ATOM 0 HD12 ILE A 49 -3.960 -1.603 5.091 1.00 30.42 H new ATOM 0 HD13 ILE A 49 -4.239 0.133 5.362 1.00 30.42 H new ATOM 731 N SER A 50 -9.010 0.205 4.456 1.00 53.35 N ATOM 732 CA SER A 50 -10.435 0.125 4.121 1.00 70.03 C ATOM 733 C SER A 50 -10.702 -0.876 2.987 1.00 33.03 C ATOM 734 O SER A 50 -11.758 -1.510 2.983 1.00 41.35 O ATOM 735 CB SER A 50 -10.960 1.543 3.850 1.00 24.24 C ATOM 736 OG SER A 50 -12.367 1.633 3.901 1.00 10.33 O ATOM 0 H SER A 50 -8.409 0.466 3.674 1.00 53.35 H new ATOM 0 HA SER A 50 -10.996 -0.276 4.965 1.00 70.03 H new ATOM 0 HB2 SER A 50 -10.532 2.228 4.582 1.00 24.24 H new ATOM 0 HB3 SER A 50 -10.617 1.869 2.868 1.00 24.24 H new ATOM 0 HG SER A 50 -12.642 2.556 3.723 1.00 10.33 H new ATOM 742 N SER A 51 -9.750 -1.114 2.070 1.00 24.11 N ATOM 743 CA SER A 51 -9.971 -2.080 0.991 1.00 61.55 C ATOM 744 C SER A 51 -8.641 -2.640 0.460 1.00 12.30 C ATOM 745 O SER A 51 -7.676 -1.885 0.290 1.00 2.42 O ATOM 746 CB SER A 51 -10.774 -1.379 -0.116 1.00 4.11 C ATOM 747 OG SER A 51 -10.050 -0.282 -0.669 1.00 50.24 O ATOM 0 H SER A 51 -8.838 -0.658 2.056 1.00 24.11 H new ATOM 0 HA SER A 51 -10.533 -2.936 1.366 1.00 61.55 H new ATOM 0 HB2 SER A 51 -11.012 -2.094 -0.904 1.00 4.11 H new ATOM 0 HB3 SER A 51 -11.722 -1.024 0.289 1.00 4.11 H new ATOM 0 HG SER A 51 -10.586 0.143 -1.371 1.00 50.24 H new ATOM 753 N VAL A 52 -8.608 -3.937 0.146 1.00 25.54 N ATOM 754 CA VAL A 52 -7.441 -4.707 -0.283 1.00 72.24 C ATOM 755 C VAL A 52 -7.885 -5.582 -1.454 1.00 74.15 C ATOM 756 O VAL A 52 -8.947 -6.203 -1.416 1.00 33.34 O ATOM 757 CB VAL A 52 -6.933 -5.547 0.916 1.00 65.22 C ATOM 758 CG1 VAL A 52 -5.856 -6.579 0.542 1.00 54.25 C ATOM 759 CG2 VAL A 52 -6.374 -4.655 2.038 1.00 13.14 C ATOM 0 H VAL A 52 -9.449 -4.513 0.188 1.00 25.54 H new ATOM 0 HA VAL A 52 -6.618 -4.071 -0.608 1.00 72.24 H new ATOM 0 HB VAL A 52 -7.815 -6.087 1.261 1.00 65.22 H new ATOM 0 HG11 VAL A 52 -5.552 -7.127 1.434 1.00 54.25 H new ATOM 0 HG12 VAL A 52 -6.260 -7.276 -0.192 1.00 54.25 H new ATOM 0 HG13 VAL A 52 -4.992 -6.066 0.119 1.00 54.25 H new ATOM 0 HG21 VAL A 52 -6.028 -5.280 2.861 1.00 13.14 H new ATOM 0 HG22 VAL A 52 -5.541 -4.066 1.654 1.00 13.14 H new ATOM 0 HG23 VAL A 52 -7.157 -3.986 2.395 1.00 13.14 H new ATOM 769 N LYS A 53 -7.052 -5.650 -2.493 1.00 61.21 N ATOM 770 CA LYS A 53 -7.103 -6.661 -3.546 1.00 43.42 C ATOM 771 C LYS A 53 -5.948 -7.590 -3.292 1.00 70.54 C ATOM 772 O LYS A 53 -4.845 -7.116 -3.048 1.00 63.43 O ATOM 773 CB LYS A 53 -7.013 -5.998 -4.930 1.00 74.54 C ATOM 774 CG LYS A 53 -6.453 -6.846 -6.098 1.00 24.11 C ATOM 775 CD LYS A 53 -6.920 -6.318 -7.466 1.00 72.43 C ATOM 776 CE LYS A 53 -6.681 -4.815 -7.646 1.00 65.35 C ATOM 777 NZ LYS A 53 -7.397 -4.248 -8.798 1.00 14.40 N ATOM 0 H LYS A 53 -6.297 -4.978 -2.628 1.00 61.21 H new ATOM 0 HA LYS A 53 -8.043 -7.213 -3.535 1.00 43.42 H new ATOM 0 HB2 LYS A 53 -8.013 -5.663 -5.207 1.00 74.54 H new ATOM 0 HB3 LYS A 53 -6.393 -5.106 -4.835 1.00 74.54 H new ATOM 0 HG2 LYS A 53 -5.364 -6.842 -6.060 1.00 24.11 H new ATOM 0 HG3 LYS A 53 -6.772 -7.882 -5.980 1.00 24.11 H new ATOM 0 HD2 LYS A 53 -6.398 -6.859 -8.255 1.00 72.43 H new ATOM 0 HD3 LYS A 53 -7.983 -6.527 -7.586 1.00 72.43 H new ATOM 0 HE2 LYS A 53 -6.992 -4.293 -6.741 1.00 65.35 H new ATOM 0 HE3 LYS A 53 -5.613 -4.636 -7.766 1.00 65.35 H new ATOM 0 HZ1 LYS A 53 -7.195 -3.230 -8.866 1.00 14.40 H new ATOM 0 HZ2 LYS A 53 -7.084 -4.722 -9.669 1.00 14.40 H new ATOM 0 HZ3 LYS A 53 -8.420 -4.390 -8.675 1.00 14.40 H new ATOM 791 N GLU A 54 -6.200 -8.888 -3.377 1.00 14.14 N ATOM 792 CA GLU A 54 -5.184 -9.917 -3.199 1.00 13.20 C ATOM 793 C GLU A 54 -5.377 -11.075 -4.179 1.00 23.41 C ATOM 794 O GLU A 54 -4.689 -12.082 -4.053 1.00 41.34 O ATOM 795 CB GLU A 54 -5.152 -10.403 -1.741 1.00 24.12 C ATOM 796 CG GLU A 54 -6.425 -11.140 -1.299 1.00 31.12 C ATOM 797 CD GLU A 54 -6.194 -11.916 0.000 1.00 22.10 C ATOM 798 OE1 GLU A 54 -6.205 -11.277 1.076 1.00 13.24 O ATOM 799 OE2 GLU A 54 -5.986 -13.151 -0.074 1.00 42.31 O ATOM 0 H GLU A 54 -7.128 -9.262 -3.574 1.00 14.14 H new ATOM 0 HA GLU A 54 -4.214 -9.473 -3.423 1.00 13.20 H new ATOM 0 HB2 GLU A 54 -4.297 -11.066 -1.609 1.00 24.12 H new ATOM 0 HB3 GLU A 54 -4.995 -9.546 -1.087 1.00 24.12 H new ATOM 0 HG2 GLU A 54 -7.233 -10.422 -1.158 1.00 31.12 H new ATOM 0 HG3 GLU A 54 -6.742 -11.827 -2.084 1.00 31.12 H new ATOM 806 N GLU A 55 -6.306 -10.980 -5.140 1.00 25.52 N ATOM 807 CA GLU A 55 -6.619 -12.096 -6.043 1.00 74.12 C ATOM 808 C GLU A 55 -7.072 -11.611 -7.430 1.00 71.33 C ATOM 809 O GLU A 55 -7.852 -12.266 -8.127 1.00 53.01 O ATOM 810 CB GLU A 55 -7.643 -13.010 -5.350 1.00 73.44 C ATOM 811 CG GLU A 55 -7.130 -14.451 -5.346 1.00 21.34 C ATOM 812 CD GLU A 55 -8.001 -15.300 -4.439 1.00 50.33 C ATOM 813 OE1 GLU A 55 -9.223 -15.394 -4.671 1.00 32.12 O ATOM 814 OE2 GLU A 55 -7.463 -15.811 -3.417 1.00 44.44 O ATOM 0 H GLU A 55 -6.856 -10.138 -5.312 1.00 25.52 H new ATOM 0 HA GLU A 55 -5.717 -12.676 -6.240 1.00 74.12 H new ATOM 0 HB2 GLU A 55 -7.813 -12.672 -4.328 1.00 73.44 H new ATOM 0 HB3 GLU A 55 -8.601 -12.956 -5.867 1.00 73.44 H new ATOM 0 HG2 GLU A 55 -7.141 -14.854 -6.359 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -6.096 -14.478 -5.003 1.00 21.34 H new ATOM 821 N GLY A 56 -6.649 -10.407 -7.819 1.00 3.13 N ATOM 822 CA GLY A 56 -7.153 -9.711 -9.001 1.00 62.24 C ATOM 823 C GLY A 56 -8.519 -9.057 -8.761 1.00 13.02 C ATOM 824 O GLY A 56 -9.012 -8.312 -9.610 1.00 30.40 O ATOM 0 H GLY A 56 -5.936 -9.881 -7.313 1.00 3.13 H new ATOM 0 HA2 GLY A 56 -6.436 -8.947 -9.302 1.00 62.24 H new ATOM 0 HA3 GLY A 56 -7.232 -10.417 -9.828 1.00 62.24 H new ATOM 828 N LYS A 57 -9.097 -9.279 -7.576 1.00 44.02 N ATOM 829 CA LYS A 57 -10.366 -8.774 -7.068 1.00 54.42 C ATOM 830 C LYS A 57 -10.187 -8.408 -5.598 1.00 53.03 C ATOM 831 O LYS A 57 -9.162 -8.767 -5.003 1.00 65.32 O ATOM 832 CB LYS A 57 -11.459 -9.841 -7.261 1.00 21.41 C ATOM 833 CG LYS A 57 -11.160 -11.224 -6.639 1.00 50.03 C ATOM 834 CD LYS A 57 -11.602 -11.386 -5.179 1.00 12.33 C ATOM 835 CE LYS A 57 -11.229 -12.777 -4.659 1.00 25.32 C ATOM 836 NZ LYS A 57 -12.073 -13.227 -3.538 1.00 73.43 N ATOM 0 H LYS A 57 -8.640 -9.875 -6.886 1.00 44.02 H new ATOM 0 HA LYS A 57 -10.676 -7.883 -7.614 1.00 54.42 H new ATOM 0 HB2 LYS A 57 -12.389 -9.464 -6.835 1.00 21.41 H new ATOM 0 HB3 LYS A 57 -11.629 -9.972 -8.330 1.00 21.41 H new ATOM 0 HG2 LYS A 57 -11.652 -11.990 -7.239 1.00 50.03 H new ATOM 0 HG3 LYS A 57 -10.088 -11.410 -6.701 1.00 50.03 H new ATOM 0 HD2 LYS A 57 -11.129 -10.622 -4.562 1.00 12.33 H new ATOM 0 HD3 LYS A 57 -12.679 -11.238 -5.100 1.00 12.33 H new ATOM 0 HE2 LYS A 57 -11.308 -13.495 -5.475 1.00 25.32 H new ATOM 0 HE3 LYS A 57 -10.187 -12.770 -4.340 1.00 25.32 H new ATOM 0 HZ1 LYS A 57 -11.769 -14.174 -3.233 1.00 73.43 H new ATOM 0 HZ2 LYS A 57 -11.980 -12.561 -2.744 1.00 73.43 H new ATOM 0 HZ3 LYS A 57 -13.066 -13.264 -3.844 1.00 73.43 H new ATOM 850 N PHE A 58 -11.159 -7.698 -5.031 1.00 65.55 N ATOM 851 CA PHE A 58 -11.129 -7.202 -3.662 1.00 45.35 C ATOM 852 C PHE A 58 -11.748 -8.215 -2.698 1.00 2.14 C ATOM 853 O PHE A 58 -12.459 -9.136 -3.112 1.00 64.33 O ATOM 854 CB PHE A 58 -11.858 -5.850 -3.587 1.00 62.43 C ATOM 855 CG PHE A 58 -11.042 -4.652 -4.050 1.00 54.35 C ATOM 856 CD1 PHE A 58 -10.372 -4.631 -5.291 1.00 23.51 C ATOM 857 CD2 PHE A 58 -10.950 -3.532 -3.208 1.00 43.15 C ATOM 858 CE1 PHE A 58 -9.559 -3.538 -5.639 1.00 5.41 C ATOM 859 CE2 PHE A 58 -10.157 -2.430 -3.570 1.00 64.33 C ATOM 860 CZ PHE A 58 -9.446 -2.437 -4.778 1.00 65.11 C ATOM 0 H PHE A 58 -12.013 -7.446 -5.528 1.00 65.55 H new ATOM 0 HA PHE A 58 -10.091 -7.059 -3.361 1.00 45.35 H new ATOM 0 HB2 PHE A 58 -12.764 -5.909 -4.191 1.00 62.43 H new ATOM 0 HB3 PHE A 58 -12.172 -5.680 -2.557 1.00 62.43 H new ATOM 0 HD1 PHE A 58 -10.484 -5.458 -5.977 1.00 23.51 H new ATOM 0 HD2 PHE A 58 -11.493 -3.518 -2.275 1.00 43.15 H new ATOM 0 HE1 PHE A 58 -9.019 -3.546 -6.574 1.00 5.41 H new ATOM 0 HE2 PHE A 58 -10.095 -1.574 -2.915 1.00 64.33 H new ATOM 0 HZ PHE A 58 -8.816 -1.601 -5.044 1.00 65.11 H new ATOM 870 N LYS A 59 -11.482 -8.039 -1.403 1.00 21.34 N ATOM 871 CA LYS A 59 -12.093 -8.768 -0.302 1.00 34.22 C ATOM 872 C LYS A 59 -12.224 -7.808 0.886 1.00 63.05 C ATOM 873 O LYS A 59 -11.695 -6.690 0.847 1.00 32.10 O ATOM 874 CB LYS A 59 -11.260 -10.030 -0.012 1.00 34.53 C ATOM 875 CG LYS A 59 -9.894 -9.758 0.646 1.00 34.11 C ATOM 876 CD LYS A 59 -9.907 -10.060 2.155 1.00 21.52 C ATOM 877 CE LYS A 59 -9.201 -11.387 2.453 1.00 50.11 C ATOM 878 NZ LYS A 59 -9.487 -11.899 3.809 1.00 4.32 N ATOM 0 H LYS A 59 -10.801 -7.350 -1.083 1.00 21.34 H new ATOM 0 HA LYS A 59 -13.097 -9.121 -0.539 1.00 34.22 H new ATOM 0 HB2 LYS A 59 -11.837 -10.689 0.637 1.00 34.53 H new ATOM 0 HB3 LYS A 59 -11.098 -10.566 -0.947 1.00 34.53 H new ATOM 0 HG2 LYS A 59 -9.131 -10.367 0.161 1.00 34.11 H new ATOM 0 HG3 LYS A 59 -9.617 -8.716 0.488 1.00 34.11 H new ATOM 0 HD2 LYS A 59 -9.415 -9.252 2.696 1.00 21.52 H new ATOM 0 HD3 LYS A 59 -10.936 -10.102 2.513 1.00 21.52 H new ATOM 0 HE2 LYS A 59 -9.509 -12.130 1.717 1.00 50.11 H new ATOM 0 HE3 LYS A 59 -8.125 -11.254 2.340 1.00 50.11 H new ATOM 0 HZ1 LYS A 59 -8.984 -12.797 3.954 1.00 4.32 H new ATOM 0 HZ2 LYS A 59 -9.169 -11.206 4.516 1.00 4.32 H new ATOM 0 HZ3 LYS A 59 -10.510 -12.055 3.913 1.00 4.32 H new ATOM 892 N GLU A 60 -12.933 -8.242 1.923 1.00 25.43 N ATOM 893 CA GLU A 60 -13.271 -7.393 3.061 1.00 64.43 C ATOM 894 C GLU A 60 -12.058 -7.113 3.956 1.00 2.12 C ATOM 895 O GLU A 60 -11.075 -7.855 3.975 1.00 31.00 O ATOM 896 CB GLU A 60 -14.379 -8.065 3.888 1.00 1.44 C ATOM 897 CG GLU A 60 -15.786 -7.815 3.335 1.00 12.10 C ATOM 898 CD GLU A 60 -16.684 -7.105 4.349 1.00 73.01 C ATOM 899 OE1 GLU A 60 -17.249 -7.771 5.236 1.00 3.11 O ATOM 900 OE2 GLU A 60 -16.799 -5.848 4.275 1.00 23.44 O ATOM 0 H GLU A 60 -13.290 -9.194 1.999 1.00 25.43 H new ATOM 0 HA GLU A 60 -13.617 -6.436 2.670 1.00 64.43 H new ATOM 0 HB2 GLU A 60 -14.196 -9.139 3.923 1.00 1.44 H new ATOM 0 HB3 GLU A 60 -14.329 -7.700 4.914 1.00 1.44 H new ATOM 0 HG2 GLU A 60 -15.717 -7.214 2.428 1.00 12.10 H new ATOM 0 HG3 GLU A 60 -16.239 -8.766 3.053 1.00 12.10 H new ATOM 907 N ASN A 61 -12.156 -6.067 4.773 1.00 24.22 N ATOM 908 CA ASN A 61 -11.276 -5.780 5.893 1.00 73.33 C ATOM 909 C ASN A 61 -12.019 -6.133 7.183 1.00 45.43 C ATOM 910 O ASN A 61 -13.229 -6.339 7.175 1.00 2.53 O ATOM 911 CB ASN A 61 -10.844 -4.308 5.830 1.00 23.24 C ATOM 912 CG ASN A 61 -9.966 -3.896 6.999 1.00 5.21 C ATOM 913 OD1 ASN A 61 -10.460 -3.387 7.989 1.00 65.12 O ATOM 914 ND2 ASN A 61 -8.673 -4.163 6.960 1.00 41.41 N ATOM 0 H ASN A 61 -12.888 -5.365 4.663 1.00 24.22 H new ATOM 0 HA ASN A 61 -10.365 -6.377 5.858 1.00 73.33 H new ATOM 0 HB2 ASN A 61 -10.305 -4.133 4.899 1.00 23.24 H new ATOM 0 HB3 ASN A 61 -11.731 -3.675 5.809 1.00 23.24 H new ATOM 0 HD21 ASN A 61 -8.082 -3.943 7.762 1.00 41.41 H new ATOM 0 HD22 ASN A 61 -8.265 -4.589 6.128 1.00 41.41 H new ATOM 921 N THR A 62 -11.285 -6.249 8.278 1.00 11.42 N ATOM 922 CA THR A 62 -11.779 -6.538 9.620 1.00 72.35 C ATOM 923 C THR A 62 -10.947 -5.811 10.691 1.00 74.15 C ATOM 924 O THR A 62 -11.182 -5.953 11.888 1.00 30.10 O ATOM 925 CB THR A 62 -11.851 -8.069 9.782 1.00 44.54 C ATOM 926 OG1 THR A 62 -12.436 -8.452 11.004 1.00 32.11 O ATOM 927 CG2 THR A 62 -10.459 -8.688 9.689 1.00 25.24 C ATOM 0 H THR A 62 -10.271 -6.138 8.256 1.00 11.42 H new ATOM 0 HA THR A 62 -12.786 -6.147 9.764 1.00 72.35 H new ATOM 0 HB THR A 62 -12.480 -8.434 8.970 1.00 44.54 H new ATOM 0 HG1 THR A 62 -12.242 -7.775 11.686 1.00 32.11 H new ATOM 0 HG21 THR A 62 -10.533 -9.769 9.806 1.00 25.24 H new ATOM 0 HG22 THR A 62 -10.022 -8.457 8.717 1.00 25.24 H new ATOM 0 HG23 THR A 62 -9.826 -8.280 10.477 1.00 25.24 H new ATOM 935 N SER A 63 -9.960 -5.026 10.281 1.00 44.33 N ATOM 936 CA SER A 63 -8.869 -4.555 11.080 1.00 72.04 C ATOM 937 C SER A 63 -8.355 -3.259 10.491 1.00 73.31 C ATOM 938 O SER A 63 -7.668 -3.231 9.467 1.00 4.31 O ATOM 939 CB SER A 63 -7.786 -5.611 11.074 1.00 14.40 C ATOM 940 OG SER A 63 -7.641 -6.266 9.823 1.00 11.44 O ATOM 0 H SER A 63 -9.909 -4.688 9.320 1.00 44.33 H new ATOM 0 HA SER A 63 -9.186 -4.371 12.106 1.00 72.04 H new ATOM 0 HB2 SER A 63 -6.837 -5.148 11.345 1.00 14.40 H new ATOM 0 HB3 SER A 63 -8.009 -6.353 11.840 1.00 14.40 H new ATOM 0 HG SER A 63 -6.758 -6.064 9.448 1.00 11.44 H new ATOM 946 N TYR A 64 -8.698 -2.170 11.154 1.00 1.21 N ATOM 947 CA TYR A 64 -8.437 -0.847 10.592 1.00 12.23 C ATOM 948 C TYR A 64 -6.955 -0.473 10.562 1.00 25.20 C ATOM 949 O TYR A 64 -6.587 0.394 9.776 1.00 30.13 O ATOM 950 CB TYR A 64 -9.314 0.223 11.268 1.00 62.35 C ATOM 951 CG TYR A 64 -10.611 0.522 10.523 1.00 11.44 C ATOM 952 CD1 TYR A 64 -11.218 -0.441 9.688 1.00 70.31 C ATOM 953 CD2 TYR A 64 -11.196 1.801 10.627 1.00 25.30 C ATOM 954 CE1 TYR A 64 -12.359 -0.122 8.938 1.00 5.13 C ATOM 955 CE2 TYR A 64 -12.356 2.122 9.898 1.00 44.32 C ATOM 956 CZ TYR A 64 -12.930 1.161 9.035 1.00 44.52 C ATOM 957 OH TYR A 64 -14.016 1.455 8.278 1.00 71.35 O ATOM 0 H TYR A 64 -9.151 -2.168 12.068 1.00 1.21 H new ATOM 0 HA TYR A 64 -8.726 -0.891 9.542 1.00 12.23 H new ATOM 0 HB2 TYR A 64 -9.555 -0.105 12.279 1.00 62.35 H new ATOM 0 HB3 TYR A 64 -8.739 1.144 11.360 1.00 62.35 H new ATOM 0 HD1 TYR A 64 -10.799 -1.434 9.626 1.00 70.31 H new ATOM 0 HD2 TYR A 64 -10.749 2.542 11.273 1.00 25.30 H new ATOM 0 HE1 TYR A 64 -12.800 -0.861 8.286 1.00 5.13 H new ATOM 0 HE2 TYR A 64 -12.806 3.099 9.998 1.00 44.32 H new ATOM 0 HH TYR A 64 -14.298 2.377 8.454 1.00 71.35 H new ATOM 967 N LYS A 65 -6.068 -1.114 11.328 1.00 53.11 N ATOM 968 CA LYS A 65 -4.643 -0.772 11.270 1.00 44.02 C ATOM 969 C LYS A 65 -3.759 -1.960 10.924 1.00 33.40 C ATOM 970 O LYS A 65 -2.547 -1.776 10.833 1.00 65.52 O ATOM 971 CB LYS A 65 -4.229 -0.022 12.546 1.00 21.13 C ATOM 972 CG LYS A 65 -4.630 1.458 12.439 1.00 45.54 C ATOM 973 CD LYS A 65 -4.181 2.251 13.669 1.00 25.00 C ATOM 974 CE LYS A 65 -4.404 3.745 13.413 1.00 43.15 C ATOM 975 NZ LYS A 65 -4.211 4.560 14.625 1.00 11.44 N ATOM 0 H LYS A 65 -6.304 -1.859 11.984 1.00 53.11 H new ATOM 0 HA LYS A 65 -4.486 -0.088 10.436 1.00 44.02 H new ATOM 0 HB2 LYS A 65 -4.706 -0.475 13.415 1.00 21.13 H new ATOM 0 HB3 LYS A 65 -3.152 -0.106 12.694 1.00 21.13 H new ATOM 0 HG2 LYS A 65 -4.187 1.892 11.543 1.00 45.54 H new ATOM 0 HG3 LYS A 65 -5.712 1.536 12.329 1.00 45.54 H new ATOM 0 HD2 LYS A 65 -4.743 1.932 14.547 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -3.128 2.058 13.877 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -3.717 4.084 12.638 1.00 43.15 H new ATOM 0 HE3 LYS A 65 -5.414 3.898 13.033 1.00 43.15 H new ATOM 0 HZ1 LYS A 65 -4.373 5.562 14.399 1.00 11.44 H new ATOM 0 HZ2 LYS A 65 -4.884 4.257 15.358 1.00 11.44 H new ATOM 0 HZ3 LYS A 65 -3.239 4.437 14.975 1.00 11.44 H new ATOM 989 N GLU A 66 -4.312 -3.135 10.617 1.00 32.33 N ATOM 990 CA GLU A 66 -3.536 -4.321 10.315 1.00 3.20 C ATOM 991 C GLU A 66 -4.239 -5.087 9.194 1.00 62.54 C ATOM 992 O GLU A 66 -5.463 -5.000 9.060 1.00 43.31 O ATOM 993 CB GLU A 66 -3.441 -5.139 11.606 1.00 52.02 C ATOM 994 CG GLU A 66 -2.449 -6.294 11.453 1.00 13.21 C ATOM 995 CD GLU A 66 -2.522 -7.245 12.631 1.00 45.22 C ATOM 996 OE1 GLU A 66 -3.564 -7.935 12.764 1.00 5.14 O ATOM 997 OE2 GLU A 66 -1.530 -7.325 13.386 1.00 31.30 O ATOM 0 H GLU A 66 -5.320 -3.283 10.573 1.00 32.33 H new ATOM 0 HA GLU A 66 -2.528 -4.087 9.971 1.00 3.20 H new ATOM 0 HB2 GLU A 66 -3.129 -4.494 12.427 1.00 52.02 H new ATOM 0 HB3 GLU A 66 -4.424 -5.532 11.865 1.00 52.02 H new ATOM 0 HG2 GLU A 66 -2.660 -6.837 10.532 1.00 13.21 H new ATOM 0 HG3 GLU A 66 -1.437 -5.898 11.365 1.00 13.21 H new ATOM 1004 N PHE A 67 -3.489 -5.870 8.417 1.00 72.55 N ATOM 1005 CA PHE A 67 -4.056 -6.936 7.604 1.00 43.24 C ATOM 1006 C PHE A 67 -2.979 -7.999 7.400 1.00 53.11 C ATOM 1007 O PHE A 67 -2.036 -7.776 6.638 1.00 73.13 O ATOM 1008 CB PHE A 67 -4.575 -6.362 6.275 1.00 10.14 C ATOM 1009 CG PHE A 67 -5.369 -7.354 5.451 1.00 53.35 C ATOM 1010 CD1 PHE A 67 -4.695 -8.359 4.732 1.00 25.30 C ATOM 1011 CD2 PHE A 67 -6.778 -7.276 5.391 1.00 13.24 C ATOM 1012 CE1 PHE A 67 -5.422 -9.261 3.947 1.00 1.31 C ATOM 1013 CE2 PHE A 67 -7.492 -8.138 4.540 1.00 43.22 C ATOM 1014 CZ PHE A 67 -6.802 -9.115 3.812 1.00 41.31 C ATOM 0 H PHE A 67 -2.476 -5.780 8.337 1.00 72.55 H new ATOM 0 HA PHE A 67 -4.910 -7.398 8.099 1.00 43.24 H new ATOM 0 HB2 PHE A 67 -5.200 -5.494 6.484 1.00 10.14 H new ATOM 0 HB3 PHE A 67 -3.728 -6.010 5.686 1.00 10.14 H new ATOM 0 HD1 PHE A 67 -3.619 -8.434 4.786 1.00 25.30 H new ATOM 0 HD2 PHE A 67 -7.306 -6.555 5.998 1.00 13.24 H new ATOM 0 HE1 PHE A 67 -4.914 -10.071 3.445 1.00 1.31 H new ATOM 0 HE2 PHE A 67 -8.564 -8.047 4.449 1.00 43.22 H new ATOM 0 HZ PHE A 67 -7.344 -9.762 3.139 1.00 41.31 H new ATOM 1024 N ASP A 68 -3.082 -9.133 8.089 1.00 25.12 N ATOM 1025 CA ASP A 68 -2.328 -10.338 7.783 1.00 1.03 C ATOM 1026 C ASP A 68 -3.119 -11.158 6.771 1.00 52.14 C ATOM 1027 O ASP A 68 -4.229 -11.600 7.054 1.00 42.31 O ATOM 1028 CB ASP A 68 -1.966 -11.127 9.048 1.00 65.52 C ATOM 1029 CG ASP A 68 -3.080 -11.890 9.770 1.00 63.14 C ATOM 1030 OD1 ASP A 68 -3.903 -11.227 10.449 1.00 52.14 O ATOM 1031 OD2 ASP A 68 -2.984 -13.139 9.826 1.00 23.22 O ATOM 0 H ASP A 68 -3.705 -9.238 8.890 1.00 25.12 H new ATOM 0 HA ASP A 68 -1.369 -10.070 7.339 1.00 1.03 H new ATOM 0 HB2 ASP A 68 -1.190 -11.845 8.782 1.00 65.52 H new ATOM 0 HB3 ASP A 68 -1.525 -10.430 9.760 1.00 65.52 H new ATOM 1036 N GLY A 69 -2.577 -11.303 5.561 1.00 3.33 N ATOM 1037 CA GLY A 69 -3.161 -12.052 4.452 1.00 41.01 C ATOM 1038 C GLY A 69 -2.491 -13.409 4.258 1.00 70.53 C ATOM 1039 O GLY A 69 -2.525 -13.956 3.153 1.00 65.21 O ATOM 0 H GLY A 69 -1.680 -10.883 5.319 1.00 3.33 H new ATOM 0 HA2 GLY A 69 -4.226 -12.197 4.634 1.00 41.01 H new ATOM 0 HA3 GLY A 69 -3.071 -11.470 3.535 1.00 41.01 H new ATOM 1043 N GLY A 70 -1.823 -13.920 5.296 1.00 21.33 N ATOM 1044 CA GLY A 70 -1.000 -15.117 5.243 1.00 41.22 C ATOM 1045 C GLY A 70 0.335 -14.804 4.584 1.00 61.34 C ATOM 1046 O GLY A 70 1.340 -14.602 5.261 1.00 62.33 O ATOM 0 H GLY A 70 -1.845 -13.494 6.222 1.00 21.33 H new ATOM 0 HA2 GLY A 70 -0.836 -15.500 6.250 1.00 41.22 H new ATOM 0 HA3 GLY A 70 -1.516 -15.898 4.685 1.00 41.22 H new ATOM 1050 N TRP A 71 0.359 -14.694 3.260 1.00 52.04 N ATOM 1051 CA TRP A 71 1.585 -14.450 2.508 1.00 30.14 C ATOM 1052 C TRP A 71 2.084 -13.000 2.591 1.00 65.55 C ATOM 1053 O TRP A 71 3.137 -12.679 2.029 1.00 71.24 O ATOM 1054 CB TRP A 71 1.379 -14.909 1.063 1.00 14.01 C ATOM 1055 CG TRP A 71 0.375 -14.181 0.210 1.00 25.12 C ATOM 1056 CD1 TRP A 71 -0.974 -14.262 0.270 1.00 24.30 C ATOM 1057 CD2 TRP A 71 0.640 -13.315 -0.912 1.00 50.04 C ATOM 1058 NE1 TRP A 71 -1.545 -13.571 -0.778 1.00 23.34 N ATOM 1059 CE2 TRP A 71 -0.583 -13.010 -1.569 1.00 1.31 C ATOM 1060 CE3 TRP A 71 1.793 -12.731 -1.447 1.00 62.33 C ATOM 1061 CZ2 TRP A 71 -0.636 -12.298 -2.774 1.00 70.12 C ATOM 1062 CZ3 TRP A 71 1.735 -11.930 -2.595 1.00 21.50 C ATOM 1063 CH2 TRP A 71 0.530 -11.742 -3.326 1.00 34.32 C ATOM 0 H TRP A 71 -0.474 -14.772 2.676 1.00 52.04 H new ATOM 0 HA TRP A 71 2.382 -15.035 2.968 1.00 30.14 H new ATOM 0 HB2 TRP A 71 2.343 -14.854 0.558 1.00 14.01 H new ATOM 0 HB3 TRP A 71 1.091 -15.960 1.088 1.00 14.01 H new ATOM 0 HD1 TRP A 71 -1.526 -14.793 1.031 1.00 24.30 H new ATOM 0 HE1 TRP A 71 -2.549 -13.490 -0.940 1.00 23.34 H new ATOM 0 HE3 TRP A 71 2.745 -12.901 -0.966 1.00 62.33 H new ATOM 0 HZ2 TRP A 71 -1.581 -12.175 -3.283 1.00 70.12 H new ATOM 0 HZ3 TRP A 71 2.635 -11.439 -2.936 1.00 21.50 H new ATOM 0 HH2 TRP A 71 0.512 -11.199 -4.259 1.00 34.32 H new ATOM 1074 N TYR A 72 1.364 -12.111 3.276 1.00 63.44 N ATOM 1075 CA TYR A 72 1.553 -10.680 3.210 1.00 43.14 C ATOM 1076 C TYR A 72 1.082 -10.134 4.548 1.00 32.11 C ATOM 1077 O TYR A 72 0.181 -10.723 5.158 1.00 52.03 O ATOM 1078 CB TYR A 72 0.686 -10.151 2.064 1.00 11.23 C ATOM 1079 CG TYR A 72 0.801 -8.662 1.816 1.00 34.41 C ATOM 1080 CD1 TYR A 72 1.959 -8.148 1.213 1.00 61.13 C ATOM 1081 CD2 TYR A 72 -0.290 -7.813 2.077 1.00 12.04 C ATOM 1082 CE1 TYR A 72 2.051 -6.777 0.919 1.00 53.25 C ATOM 1083 CE2 TYR A 72 -0.231 -6.454 1.735 1.00 31.51 C ATOM 1084 CZ TYR A 72 0.960 -5.928 1.199 1.00 44.45 C ATOM 1085 OH TYR A 72 1.022 -4.609 0.877 1.00 50.15 O ATOM 0 H TYR A 72 0.613 -12.386 3.909 1.00 63.44 H new ATOM 0 HA TYR A 72 2.587 -10.387 3.028 1.00 43.14 H new ATOM 0 HB2 TYR A 72 0.956 -10.679 1.149 1.00 11.23 H new ATOM 0 HB3 TYR A 72 -0.356 -10.391 2.275 1.00 11.23 H new ATOM 0 HD1 TYR A 72 2.781 -8.807 0.975 1.00 61.13 H new ATOM 0 HD2 TYR A 72 -1.179 -8.210 2.544 1.00 12.04 H new ATOM 0 HE1 TYR A 72 2.953 -6.375 0.481 1.00 53.25 H new ATOM 0 HE2 TYR A 72 -1.091 -5.817 1.881 1.00 31.51 H new ATOM 0 HH TYR A 72 0.537 -4.454 0.039 1.00 50.15 H new ATOM 1095 N LEU A 73 1.663 -9.031 5.019 1.00 61.44 N ATOM 1096 CA LEU A 73 1.341 -8.519 6.340 1.00 11.02 C ATOM 1097 C LEU A 73 1.473 -7.000 6.357 1.00 1.14 C ATOM 1098 O LEU A 73 2.580 -6.487 6.175 1.00 73.53 O ATOM 1099 CB LEU A 73 2.263 -9.185 7.388 1.00 44.03 C ATOM 1100 CG LEU A 73 1.581 -9.469 8.741 1.00 2.01 C ATOM 1101 CD1 LEU A 73 2.655 -9.672 9.812 1.00 30.32 C ATOM 1102 CD2 LEU A 73 0.617 -8.368 9.185 1.00 50.34 C ATOM 0 H LEU A 73 2.353 -8.482 4.506 1.00 61.44 H new ATOM 0 HA LEU A 73 0.309 -8.762 6.592 1.00 11.02 H new ATOM 0 HB2 LEU A 73 2.640 -10.123 6.980 1.00 44.03 H new ATOM 0 HB3 LEU A 73 3.126 -8.541 7.557 1.00 44.03 H new ATOM 0 HG LEU A 73 0.981 -10.370 8.610 1.00 2.01 H new ATOM 0 HD11 LEU A 73 2.179 -9.873 10.771 1.00 30.32 H new ATOM 0 HD12 LEU A 73 3.288 -10.516 9.537 1.00 30.32 H new ATOM 0 HD13 LEU A 73 3.264 -8.772 9.891 1.00 30.32 H new ATOM 0 HD21 LEU A 73 0.175 -8.637 10.144 1.00 50.34 H new ATOM 0 HD22 LEU A 73 1.160 -7.428 9.286 1.00 50.34 H new ATOM 0 HD23 LEU A 73 -0.172 -8.253 8.442 1.00 50.34 H new ATOM 1114 N VAL A 74 0.378 -6.276 6.573 1.00 54.31 N ATOM 1115 CA VAL A 74 0.312 -4.815 6.633 1.00 32.14 C ATOM 1116 C VAL A 74 0.141 -4.390 8.086 1.00 4.43 C ATOM 1117 O VAL A 74 -0.726 -4.945 8.764 1.00 25.23 O ATOM 1118 CB VAL A 74 -0.891 -4.283 5.819 1.00 53.42 C ATOM 1119 CG1 VAL A 74 -0.688 -2.794 5.527 1.00 51.33 C ATOM 1120 CG2 VAL A 74 -1.067 -5.025 4.490 1.00 21.11 C ATOM 0 H VAL A 74 -0.533 -6.712 6.718 1.00 54.31 H new ATOM 0 HA VAL A 74 1.231 -4.407 6.213 1.00 32.14 H new ATOM 0 HB VAL A 74 -1.787 -4.446 6.418 1.00 53.42 H new ATOM 0 HG11 VAL A 74 -1.535 -2.417 4.953 1.00 51.33 H new ATOM 0 HG12 VAL A 74 -0.613 -2.246 6.466 1.00 51.33 H new ATOM 0 HG13 VAL A 74 0.229 -2.657 4.953 1.00 51.33 H new ATOM 0 HG21 VAL A 74 -1.924 -4.615 3.955 1.00 21.11 H new ATOM 0 HG22 VAL A 74 -0.169 -4.904 3.884 1.00 21.11 H new ATOM 0 HG23 VAL A 74 -1.233 -6.085 4.684 1.00 21.11 H new ATOM 1130 N LYS A 75 0.895 -3.385 8.549 1.00 24.13 N ATOM 1131 CA LYS A 75 0.665 -2.705 9.821 1.00 5.10 C ATOM 1132 C LYS A 75 0.806 -1.200 9.611 1.00 4.02 C ATOM 1133 O LYS A 75 1.755 -0.758 8.957 1.00 5.11 O ATOM 1134 CB LYS A 75 1.671 -3.199 10.860 1.00 43.14 C ATOM 1135 CG LYS A 75 1.304 -4.601 11.380 1.00 52.43 C ATOM 1136 CD LYS A 75 2.503 -5.331 11.981 1.00 64.11 C ATOM 1137 CE LYS A 75 3.516 -5.714 10.886 1.00 25.34 C ATOM 1138 NZ LYS A 75 4.811 -6.108 11.468 1.00 32.20 N ATOM 0 H LYS A 75 1.697 -3.018 8.036 1.00 24.13 H new ATOM 0 HA LYS A 75 -0.339 -2.923 10.184 1.00 5.10 H new ATOM 0 HB2 LYS A 75 2.668 -3.223 10.420 1.00 43.14 H new ATOM 0 HB3 LYS A 75 1.707 -2.499 11.694 1.00 43.14 H new ATOM 0 HG2 LYS A 75 0.521 -4.513 12.133 1.00 52.43 H new ATOM 0 HG3 LYS A 75 0.894 -5.193 10.562 1.00 52.43 H new ATOM 0 HD2 LYS A 75 2.986 -4.696 12.723 1.00 64.11 H new ATOM 0 HD3 LYS A 75 2.165 -6.228 12.500 1.00 64.11 H new ATOM 0 HE2 LYS A 75 3.118 -6.535 10.291 1.00 25.34 H new ATOM 0 HE3 LYS A 75 3.660 -4.871 10.210 1.00 25.34 H new ATOM 0 HZ1 LYS A 75 5.472 -6.360 10.706 1.00 32.20 H new ATOM 0 HZ2 LYS A 75 5.201 -5.315 12.016 1.00 32.20 H new ATOM 0 HZ3 LYS A 75 4.675 -6.928 12.094 1.00 32.20 H new ATOM 1152 N ILE A 76 -0.117 -0.429 10.183 1.00 54.03 N ATOM 1153 CA ILE A 76 -0.070 1.025 10.293 1.00 5.30 C ATOM 1154 C ILE A 76 0.325 1.285 11.741 1.00 43.33 C ATOM 1155 O ILE A 76 -0.409 0.916 12.661 1.00 73.44 O ATOM 1156 CB ILE A 76 -1.432 1.677 9.932 1.00 61.23 C ATOM 1157 CG1 ILE A 76 -1.711 1.538 8.421 1.00 31.31 C ATOM 1158 CG2 ILE A 76 -1.464 3.170 10.335 1.00 71.31 C ATOM 1159 CD1 ILE A 76 -3.119 1.966 7.998 1.00 25.51 C ATOM 0 H ILE A 76 -0.959 -0.823 10.603 1.00 54.03 H new ATOM 0 HA ILE A 76 0.638 1.467 9.593 1.00 5.30 H new ATOM 0 HB ILE A 76 -2.208 1.154 10.491 1.00 61.23 H new ATOM 0 HG12 ILE A 76 -0.982 2.135 7.873 1.00 31.31 H new ATOM 0 HG13 ILE A 76 -1.557 0.499 8.129 1.00 31.31 H new ATOM 0 HG21 ILE A 76 -2.431 3.598 10.069 1.00 71.31 H new ATOM 0 HG22 ILE A 76 -1.311 3.260 11.410 1.00 71.31 H new ATOM 0 HG23 ILE A 76 -0.673 3.706 9.810 1.00 71.31 H new ATOM 0 HD11 ILE A 76 -3.231 1.836 6.922 1.00 25.51 H new ATOM 0 HD12 ILE A 76 -3.857 1.353 8.516 1.00 25.51 H new ATOM 0 HD13 ILE A 76 -3.273 3.014 8.255 1.00 25.51 H new ATOM 1171 N GLU A 77 1.475 1.914 11.954 1.00 32.42 N ATOM 1172 CA GLU A 77 2.008 2.203 13.267 1.00 45.44 C ATOM 1173 C GLU A 77 2.353 3.673 13.359 1.00 32.51 C ATOM 1174 O GLU A 77 3.188 4.162 12.609 1.00 25.52 O ATOM 1175 CB GLU A 77 3.241 1.332 13.516 1.00 65.11 C ATOM 1176 CG GLU A 77 2.828 0.116 14.337 1.00 43.02 C ATOM 1177 CD GLU A 77 2.512 0.461 15.797 1.00 34.21 C ATOM 1178 OE1 GLU A 77 2.406 1.666 16.138 1.00 25.44 O ATOM 1179 OE2 GLU A 77 2.308 -0.496 16.576 1.00 45.03 O ATOM 0 H GLU A 77 2.072 2.243 11.195 1.00 32.42 H new ATOM 0 HA GLU A 77 1.265 1.977 14.031 1.00 45.44 H new ATOM 0 HB2 GLU A 77 3.677 1.017 12.568 1.00 65.11 H new ATOM 0 HB3 GLU A 77 4.005 1.902 14.045 1.00 65.11 H new ATOM 0 HG2 GLU A 77 1.952 -0.344 13.880 1.00 43.02 H new ATOM 0 HG3 GLU A 77 3.628 -0.624 14.309 1.00 43.02 H new ATOM 1186 N ASP A 78 1.730 4.377 14.293 1.00 71.23 N ATOM 1187 CA ASP A 78 1.705 5.829 14.446 1.00 54.44 C ATOM 1188 C ASP A 78 1.435 6.548 13.109 1.00 50.25 C ATOM 1189 O ASP A 78 0.258 6.730 12.781 1.00 11.22 O ATOM 1190 CB ASP A 78 2.951 6.313 15.193 1.00 44.02 C ATOM 1191 CG ASP A 78 2.670 7.604 15.948 1.00 65.31 C ATOM 1192 OD1 ASP A 78 2.031 8.535 15.406 1.00 61.14 O ATOM 1193 OD2 ASP A 78 3.055 7.651 17.138 1.00 71.52 O ATOM 0 H ASP A 78 1.186 3.914 15.021 1.00 71.23 H new ATOM 0 HA ASP A 78 0.856 6.103 15.073 1.00 54.44 H new ATOM 0 HB2 ASP A 78 3.282 5.544 15.891 1.00 44.02 H new ATOM 0 HB3 ASP A 78 3.764 6.472 14.485 1.00 44.02 H new ATOM 1198 N ASN A 79 2.441 6.838 12.277 1.00 10.23 N ATOM 1199 CA ASN A 79 2.316 7.358 10.909 1.00 44.25 C ATOM 1200 C ASN A 79 3.273 6.692 9.913 1.00 61.41 C ATOM 1201 O ASN A 79 3.461 7.195 8.802 1.00 1.00 O ATOM 1202 CB ASN A 79 2.452 8.879 10.863 1.00 52.13 C ATOM 1203 CG ASN A 79 3.826 9.404 11.251 1.00 43.15 C ATOM 1204 OD1 ASN A 79 4.179 9.487 12.422 1.00 13.00 O ATOM 1205 ND2 ASN A 79 4.600 9.894 10.301 1.00 53.32 N ATOM 0 H ASN A 79 3.415 6.710 12.553 1.00 10.23 H new ATOM 0 HA ASN A 79 1.307 7.096 10.591 1.00 44.25 H new ATOM 0 HB2 ASN A 79 2.218 9.221 9.855 1.00 52.13 H new ATOM 0 HB3 ASN A 79 1.709 9.317 11.529 1.00 52.13 H new ATOM 0 HD21 ASN A 79 5.486 10.338 10.543 1.00 53.32 H new ATOM 0 HD22 ASN A 79 4.313 9.828 9.325 1.00 53.32 H new ATOM 1212 N GLU A 80 3.870 5.573 10.301 1.00 34.40 N ATOM 1213 CA GLU A 80 4.680 4.666 9.514 1.00 72.22 C ATOM 1214 C GLU A 80 3.786 3.488 9.092 1.00 45.24 C ATOM 1215 O GLU A 80 3.313 2.728 9.935 1.00 41.33 O ATOM 1216 CB GLU A 80 5.863 4.196 10.382 1.00 23.51 C ATOM 1217 CG GLU A 80 7.116 5.096 10.314 1.00 10.04 C ATOM 1218 CD GLU A 80 8.397 4.280 10.248 1.00 62.41 C ATOM 1219 OE1 GLU A 80 8.556 3.326 11.040 1.00 2.10 O ATOM 1220 OE2 GLU A 80 9.234 4.609 9.372 1.00 11.12 O ATOM 0 H GLU A 80 3.789 5.252 11.266 1.00 34.40 H new ATOM 0 HA GLU A 80 5.080 5.144 8.620 1.00 72.22 H new ATOM 0 HB2 GLU A 80 5.533 4.135 11.419 1.00 23.51 H new ATOM 0 HB3 GLU A 80 6.141 3.187 10.077 1.00 23.51 H new ATOM 0 HG2 GLU A 80 7.052 5.742 9.439 1.00 10.04 H new ATOM 0 HG3 GLU A 80 7.144 5.746 11.189 1.00 10.04 H new ATOM 1227 N LEU A 81 3.515 3.347 7.792 1.00 5.02 N ATOM 1228 CA LEU A 81 2.842 2.187 7.209 1.00 61.52 C ATOM 1229 C LEU A 81 3.897 1.328 6.541 1.00 61.34 C ATOM 1230 O LEU A 81 4.804 1.847 5.888 1.00 43.42 O ATOM 1231 CB LEU A 81 1.761 2.668 6.236 1.00 23.40 C ATOM 1232 CG LEU A 81 1.018 1.628 5.372 1.00 65.22 C ATOM 1233 CD1 LEU A 81 1.691 1.338 4.032 1.00 65.55 C ATOM 1234 CD2 LEU A 81 0.661 0.321 6.073 1.00 62.15 C ATOM 0 H LEU A 81 3.764 4.054 7.100 1.00 5.02 H new ATOM 0 HA LEU A 81 2.339 1.584 7.965 1.00 61.52 H new ATOM 0 HB2 LEU A 81 1.013 3.209 6.816 1.00 23.40 H new ATOM 0 HB3 LEU A 81 2.223 3.388 5.560 1.00 23.40 H new ATOM 0 HG LEU A 81 0.075 2.139 5.177 1.00 65.22 H new ATOM 0 HD11 LEU A 81 1.108 0.598 3.485 1.00 65.55 H new ATOM 0 HD12 LEU A 81 1.751 2.257 3.448 1.00 65.55 H new ATOM 0 HD13 LEU A 81 2.696 0.953 4.205 1.00 65.55 H new ATOM 0 HD21 LEU A 81 0.142 -0.336 5.375 1.00 62.15 H new ATOM 0 HD22 LEU A 81 1.572 -0.166 6.421 1.00 62.15 H new ATOM 0 HD23 LEU A 81 0.013 0.530 6.924 1.00 62.15 H new ATOM 1246 N LYS A 82 3.856 0.024 6.768 1.00 23.23 N ATOM 1247 CA LYS A 82 4.875 -0.914 6.331 1.00 42.23 C ATOM 1248 C LYS A 82 4.225 -2.233 6.012 1.00 22.42 C ATOM 1249 O LYS A 82 3.220 -2.603 6.633 1.00 23.34 O ATOM 1250 CB LYS A 82 5.974 -1.079 7.395 1.00 70.23 C ATOM 1251 CG LYS A 82 5.503 -0.969 8.865 1.00 12.01 C ATOM 1252 CD LYS A 82 6.680 -0.666 9.796 1.00 1.33 C ATOM 1253 CE LYS A 82 6.239 0.309 10.893 1.00 44.32 C ATOM 1254 NZ LYS A 82 7.370 0.781 11.718 1.00 52.23 N ATOM 0 H LYS A 82 3.091 -0.422 7.275 1.00 23.23 H new ATOM 0 HA LYS A 82 5.357 -0.525 5.434 1.00 42.23 H new ATOM 0 HB2 LYS A 82 6.447 -2.051 7.255 1.00 70.23 H new ATOM 0 HB3 LYS A 82 6.740 -0.324 7.220 1.00 70.23 H new ATOM 0 HG2 LYS A 82 4.753 -0.183 8.953 1.00 12.01 H new ATOM 0 HG3 LYS A 82 5.025 -1.900 9.168 1.00 12.01 H new ATOM 0 HD2 LYS A 82 7.048 -1.589 10.244 1.00 1.33 H new ATOM 0 HD3 LYS A 82 7.505 -0.238 9.226 1.00 1.33 H new ATOM 0 HE2 LYS A 82 5.744 1.166 10.436 1.00 44.32 H new ATOM 0 HE3 LYS A 82 5.504 -0.178 11.534 1.00 44.32 H new ATOM 0 HZ1 LYS A 82 7.063 0.875 12.707 1.00 52.23 H new ATOM 0 HZ2 LYS A 82 8.151 0.096 11.661 1.00 52.23 H new ATOM 0 HZ3 LYS A 82 7.694 1.705 11.367 1.00 52.23 H new ATOM 1268 N VAL A 83 4.822 -2.940 5.057 1.00 44.23 N ATOM 1269 CA VAL A 83 4.322 -4.234 4.639 1.00 72.11 C ATOM 1270 C VAL A 83 5.498 -5.191 4.565 1.00 73.12 C ATOM 1271 O VAL A 83 6.624 -4.767 4.289 1.00 72.23 O ATOM 1272 CB VAL A 83 3.509 -4.128 3.324 1.00 1.20 C ATOM 1273 CG1 VAL A 83 2.535 -2.935 3.352 1.00 32.22 C ATOM 1274 CG2 VAL A 83 4.393 -4.004 2.073 1.00 53.34 C ATOM 0 H VAL A 83 5.657 -2.631 4.559 1.00 44.23 H new ATOM 0 HA VAL A 83 3.612 -4.629 5.365 1.00 72.11 H new ATOM 0 HB VAL A 83 2.953 -5.063 3.261 1.00 1.20 H new ATOM 0 HG11 VAL A 83 1.983 -2.894 2.413 1.00 32.22 H new ATOM 0 HG12 VAL A 83 1.835 -3.056 4.179 1.00 32.22 H new ATOM 0 HG13 VAL A 83 3.096 -2.010 3.484 1.00 32.22 H new ATOM 0 HG21 VAL A 83 3.762 -3.934 1.187 1.00 53.34 H new ATOM 0 HG22 VAL A 83 5.010 -3.109 2.151 1.00 53.34 H new ATOM 0 HG23 VAL A 83 5.035 -4.881 1.993 1.00 53.34 H new ATOM 1284 N ILE A 84 5.236 -6.471 4.809 1.00 53.43 N ATOM 1285 CA ILE A 84 6.168 -7.569 4.575 1.00 50.35 C ATOM 1286 C ILE A 84 5.489 -8.524 3.597 1.00 44.05 C ATOM 1287 O ILE A 84 4.281 -8.758 3.681 1.00 65.24 O ATOM 1288 CB ILE A 84 6.573 -8.191 5.930 1.00 30.34 C ATOM 1289 CG1 ILE A 84 7.555 -7.217 6.621 1.00 13.30 C ATOM 1290 CG2 ILE A 84 7.245 -9.569 5.798 1.00 5.10 C ATOM 1291 CD1 ILE A 84 7.637 -7.393 8.131 1.00 21.40 C ATOM 0 H ILE A 84 4.341 -6.783 5.187 1.00 53.43 H new ATOM 0 HA ILE A 84 7.108 -7.254 4.121 1.00 50.35 H new ATOM 0 HB ILE A 84 5.663 -8.345 6.510 1.00 30.34 H new ATOM 0 HG12 ILE A 84 8.549 -7.355 6.194 1.00 13.30 H new ATOM 0 HG13 ILE A 84 7.252 -6.193 6.400 1.00 13.30 H new ATOM 0 HG21 ILE A 84 7.502 -9.945 6.788 1.00 5.10 H new ATOM 0 HG22 ILE A 84 6.559 -10.263 5.313 1.00 5.10 H new ATOM 0 HG23 ILE A 84 8.151 -9.476 5.199 1.00 5.10 H new ATOM 0 HD11 ILE A 84 8.346 -6.675 8.543 1.00 21.40 H new ATOM 0 HD12 ILE A 84 6.654 -7.226 8.571 1.00 21.40 H new ATOM 0 HD13 ILE A 84 7.970 -8.405 8.362 1.00 21.40 H new ATOM 1303 N ILE A 85 6.267 -9.033 2.642 1.00 54.01 N ATOM 1304 CA ILE A 85 5.823 -9.944 1.585 1.00 51.15 C ATOM 1305 C ILE A 85 6.708 -11.182 1.622 1.00 34.44 C ATOM 1306 O ILE A 85 7.929 -11.025 1.598 1.00 43.24 O ATOM 1307 CB ILE A 85 5.927 -9.272 0.195 1.00 61.41 C ATOM 1308 CG1 ILE A 85 5.502 -7.786 0.237 1.00 71.25 C ATOM 1309 CG2 ILE A 85 5.148 -10.113 -0.835 1.00 41.45 C ATOM 1310 CD1 ILE A 85 5.056 -7.208 -1.106 1.00 64.14 C ATOM 0 H ILE A 85 7.261 -8.814 2.580 1.00 54.01 H new ATOM 0 HA ILE A 85 4.779 -10.211 1.752 1.00 51.15 H new ATOM 0 HB ILE A 85 6.970 -9.249 -0.121 1.00 61.41 H new ATOM 0 HG12 ILE A 85 4.687 -7.676 0.952 1.00 71.25 H new ATOM 0 HG13 ILE A 85 6.337 -7.194 0.612 1.00 71.25 H new ATOM 0 HG21 ILE A 85 5.218 -9.643 -1.816 1.00 41.45 H new ATOM 0 HG22 ILE A 85 5.572 -11.116 -0.881 1.00 41.45 H new ATOM 0 HG23 ILE A 85 4.101 -10.175 -0.537 1.00 41.45 H new ATOM 0 HD11 ILE A 85 4.777 -6.162 -0.977 1.00 64.14 H new ATOM 0 HD12 ILE A 85 5.874 -7.280 -1.823 1.00 64.14 H new ATOM 0 HD13 ILE A 85 4.198 -7.769 -1.477 1.00 64.14 H new ATOM 1322 N ASN A 86 6.123 -12.386 1.655 1.00 13.41 N ATOM 1323 CA ASN A 86 6.950 -13.582 1.595 1.00 64.53 C ATOM 1324 C ASN A 86 7.583 -13.754 0.216 1.00 11.41 C ATOM 1325 O ASN A 86 7.189 -13.143 -0.790 1.00 65.31 O ATOM 1326 CB ASN A 86 6.164 -14.841 1.997 1.00 32.12 C ATOM 1327 CG ASN A 86 6.088 -14.973 3.509 1.00 33.10 C ATOM 1328 OD1 ASN A 86 7.104 -14.915 4.189 1.00 53.24 O ATOM 1329 ND2 ASN A 86 4.917 -15.203 4.073 1.00 30.22 N ATOM 0 H ASN A 86 5.118 -12.549 1.720 1.00 13.41 H new ATOM 0 HA ASN A 86 7.753 -13.450 2.320 1.00 64.53 H new ATOM 0 HB2 ASN A 86 5.158 -14.795 1.581 1.00 32.12 H new ATOM 0 HB3 ASN A 86 6.643 -15.724 1.574 1.00 32.12 H new ATOM 0 HD21 ASN A 86 4.854 -15.334 5.083 1.00 30.22 H new ATOM 0 HD22 ASN A 86 4.075 -15.250 3.499 1.00 30.22 H new ATOM 1336 N ARG A 87 8.574 -14.641 0.175 1.00 24.20 N ATOM 1337 CA ARG A 87 9.191 -15.063 -1.070 1.00 53.01 C ATOM 1338 C ARG A 87 8.175 -15.897 -1.837 1.00 65.44 C ATOM 1339 O ARG A 87 7.605 -16.836 -1.278 1.00 23.11 O ATOM 1340 CB ARG A 87 10.501 -15.817 -0.796 1.00 50.21 C ATOM 1341 CG ARG A 87 11.094 -16.383 -2.085 1.00 65.53 C ATOM 1342 CD ARG A 87 10.742 -17.847 -2.385 1.00 50.32 C ATOM 1343 NE ARG A 87 11.945 -18.698 -2.336 1.00 1.23 N ATOM 1344 CZ ARG A 87 12.836 -18.845 -3.329 1.00 30.14 C ATOM 1345 NH1 ARG A 87 12.705 -18.211 -4.494 1.00 13.21 N ATOM 1346 NH2 ARG A 87 13.855 -19.668 -3.155 1.00 42.31 N ATOM 0 H ARG A 87 8.968 -15.084 1.005 1.00 24.20 H new ATOM 0 HA ARG A 87 9.466 -14.203 -1.681 1.00 53.01 H new ATOM 0 HB2 ARG A 87 11.219 -15.144 -0.327 1.00 50.21 H new ATOM 0 HB3 ARG A 87 10.316 -16.628 -0.091 1.00 50.21 H new ATOM 0 HG2 ARG A 87 10.758 -15.768 -2.920 1.00 65.53 H new ATOM 0 HG3 ARG A 87 12.179 -16.290 -2.037 1.00 65.53 H new ATOM 0 HD2 ARG A 87 10.009 -18.205 -1.662 1.00 50.32 H new ATOM 0 HD3 ARG A 87 10.280 -17.920 -3.370 1.00 50.32 H new ATOM 0 HE ARG A 87 12.114 -19.219 -1.475 1.00 1.23 H new ATOM 0 HH11 ARG A 87 11.910 -17.592 -4.651 1.00 13.21 H new ATOM 0 HH12 ARG A 87 13.400 -18.345 -5.228 1.00 13.21 H new ATOM 0 HH21 ARG A 87 13.954 -20.178 -2.278 1.00 42.31 H new ATOM 0 HH22 ARG A 87 14.542 -19.793 -3.898 1.00 42.31 H new ATOM 1360 N ASN A 88 7.972 -15.577 -3.114 1.00 23.54 N ATOM 1361 CA ASN A 88 7.032 -16.307 -3.950 1.00 50.43 C ATOM 1362 C ASN A 88 7.684 -17.600 -4.411 1.00 61.32 C ATOM 1363 O ASN A 88 8.668 -17.542 -5.143 1.00 50.24 O ATOM 1364 CB ASN A 88 6.574 -15.461 -5.149 1.00 50.35 C ATOM 1365 CG ASN A 88 5.346 -16.070 -5.813 1.00 32.21 C ATOM 1366 OD1 ASN A 88 4.515 -16.681 -5.145 1.00 63.43 O ATOM 1367 ND2 ASN A 88 5.180 -15.839 -7.100 1.00 70.44 N ATOM 0 H ASN A 88 8.451 -14.812 -3.590 1.00 23.54 H new ATOM 0 HA ASN A 88 6.141 -16.538 -3.367 1.00 50.43 H new ATOM 0 HB2 ASN A 88 6.347 -14.448 -4.817 1.00 50.35 H new ATOM 0 HB3 ASN A 88 7.384 -15.385 -5.875 1.00 50.35 H new ATOM 0 HD21 ASN A 88 4.340 -16.171 -7.574 1.00 70.44 H new ATOM 0 HD22 ASN A 88 5.892 -15.328 -7.622 1.00 70.44 H new ATOM 1374 N GLU A 89 7.207 -18.747 -3.925 1.00 1.02 N ATOM 1375 CA GLU A 89 7.787 -20.053 -4.247 1.00 14.33 C ATOM 1376 C GLU A 89 7.311 -20.588 -5.602 1.00 53.23 C ATOM 1377 O GLU A 89 7.993 -21.422 -6.193 1.00 63.41 O ATOM 1378 CB GLU A 89 7.472 -21.079 -3.134 1.00 43.05 C ATOM 1379 CG GLU A 89 5.970 -21.224 -2.833 1.00 24.34 C ATOM 1380 CD GLU A 89 5.625 -22.487 -2.040 1.00 41.24 C ATOM 1381 OE1 GLU A 89 5.611 -22.417 -0.791 1.00 41.04 O ATOM 1382 OE2 GLU A 89 5.270 -23.514 -2.665 1.00 63.11 O ATOM 0 H GLU A 89 6.406 -18.797 -3.296 1.00 1.02 H new ATOM 0 HA GLU A 89 8.866 -19.910 -4.313 1.00 14.33 H new ATOM 0 HB2 GLU A 89 7.871 -22.051 -3.425 1.00 43.05 H new ATOM 0 HB3 GLU A 89 7.989 -20.782 -2.222 1.00 43.05 H new ATOM 0 HG2 GLU A 89 5.634 -20.351 -2.274 1.00 24.34 H new ATOM 0 HG3 GLU A 89 5.418 -21.233 -3.773 1.00 24.34 H new ATOM 1389 N THR A 90 6.139 -20.172 -6.086 1.00 64.12 N ATOM 1390 CA THR A 90 5.487 -20.803 -7.223 1.00 2.12 C ATOM 1391 C THR A 90 6.005 -20.228 -8.540 1.00 34.30 C ATOM 1392 O THR A 90 6.520 -19.113 -8.613 1.00 4.12 O ATOM 1393 CB THR A 90 3.962 -20.633 -7.095 1.00 22.11 C ATOM 1394 OG1 THR A 90 3.673 -19.314 -6.688 1.00 42.25 O ATOM 1395 CG2 THR A 90 3.363 -21.611 -6.081 1.00 73.41 C ATOM 0 H THR A 90 5.619 -19.386 -5.696 1.00 64.12 H new ATOM 0 HA THR A 90 5.722 -21.867 -7.226 1.00 2.12 H new ATOM 0 HB THR A 90 3.520 -20.842 -8.069 1.00 22.11 H new ATOM 0 HG1 THR A 90 2.703 -19.202 -6.607 1.00 42.25 H new ATOM 0 HG21 THR A 90 2.285 -21.458 -6.021 1.00 73.41 H new ATOM 0 HG22 THR A 90 3.567 -22.634 -6.398 1.00 73.41 H new ATOM 0 HG23 THR A 90 3.809 -21.438 -5.102 1.00 73.41 H new ATOM 1403 N ASN A 91 5.794 -20.983 -9.616 1.00 13.14 N ATOM 1404 CA ASN A 91 6.080 -20.595 -10.993 1.00 72.22 C ATOM 1405 C ASN A 91 5.102 -19.550 -11.553 1.00 51.12 C ATOM 1406 O ASN A 91 5.250 -19.154 -12.711 1.00 34.40 O ATOM 1407 CB ASN A 91 6.094 -21.841 -11.883 1.00 1.43 C ATOM 1408 CG ASN A 91 4.719 -22.478 -11.920 1.00 52.24 C ATOM 1409 OD1 ASN A 91 3.829 -22.047 -12.640 1.00 30.24 O ATOM 1410 ND2 ASN A 91 4.476 -23.466 -11.077 1.00 54.15 N ATOM 0 H ASN A 91 5.402 -21.922 -9.548 1.00 13.14 H new ATOM 0 HA ASN A 91 7.061 -20.119 -10.991 1.00 72.22 H new ATOM 0 HB2 ASN A 91 6.404 -21.571 -12.892 1.00 1.43 H new ATOM 0 HB3 ASN A 91 6.824 -22.557 -11.506 1.00 1.43 H new ATOM 0 HD21 ASN A 91 3.542 -23.873 -11.024 1.00 54.15 H new ATOM 0 HD22 ASN A 91 5.222 -23.821 -10.479 1.00 54.15 H new ATOM 1417 N ALA A 92 4.156 -19.044 -10.758 1.00 63.25 N ATOM 1418 CA ALA A 92 3.126 -18.115 -11.196 1.00 42.14 C ATOM 1419 C ALA A 92 3.256 -16.787 -10.449 1.00 53.03 C ATOM 1420 O ALA A 92 3.558 -16.765 -9.255 1.00 3.13 O ATOM 1421 CB ALA A 92 1.755 -18.738 -10.948 1.00 34.40 C ATOM 0 H ALA A 92 4.088 -19.279 -9.768 1.00 63.25 H new ATOM 0 HA ALA A 92 3.244 -17.915 -12.261 1.00 42.14 H new ATOM 0 HB1 ALA A 92 0.977 -18.047 -11.274 1.00 34.40 H new ATOM 0 HB2 ALA A 92 1.672 -19.669 -11.509 1.00 34.40 H new ATOM 0 HB3 ALA A 92 1.636 -18.943 -9.884 1.00 34.40 H new ATOM 1427 N SER A 93 3.026 -15.679 -11.155 1.00 34.54 N ATOM 1428 CA SER A 93 2.876 -14.357 -10.604 1.00 5.32 C ATOM 1429 C SER A 93 1.559 -14.223 -9.823 1.00 74.13 C ATOM 1430 O SER A 93 0.767 -15.171 -9.707 1.00 43.35 O ATOM 1431 CB SER A 93 3.030 -13.392 -11.788 1.00 45.01 C ATOM 1432 OG SER A 93 1.818 -13.010 -12.420 1.00 10.03 O ATOM 0 H SER A 93 2.937 -15.693 -12.171 1.00 34.54 H new ATOM 0 HA SER A 93 3.633 -14.122 -9.855 1.00 5.32 H new ATOM 0 HB2 SER A 93 3.538 -12.493 -11.439 1.00 45.01 H new ATOM 0 HB3 SER A 93 3.678 -13.856 -12.532 1.00 45.01 H new ATOM 0 HG SER A 93 2.013 -12.396 -13.158 1.00 10.03 H new ATOM 1438 N ARG A 94 1.320 -13.027 -9.292 1.00 5.10 N ATOM 1439 CA ARG A 94 0.147 -12.666 -8.506 1.00 1.30 C ATOM 1440 C ARG A 94 -0.063 -11.155 -8.634 1.00 30.33 C ATOM 1441 O ARG A 94 0.834 -10.465 -9.133 1.00 42.41 O ATOM 1442 CB ARG A 94 0.404 -13.100 -7.048 1.00 61.43 C ATOM 1443 CG ARG A 94 1.720 -12.599 -6.415 1.00 5.24 C ATOM 1444 CD ARG A 94 1.799 -11.064 -6.327 1.00 72.15 C ATOM 1445 NE ARG A 94 2.574 -10.635 -5.178 1.00 5.03 N ATOM 1446 CZ ARG A 94 2.751 -9.414 -4.677 1.00 72.43 C ATOM 1447 NH1 ARG A 94 2.200 -8.324 -5.201 1.00 25.33 N ATOM 1448 NH2 ARG A 94 3.539 -9.314 -3.624 1.00 31.31 N ATOM 0 H ARG A 94 1.969 -12.248 -9.404 1.00 5.10 H new ATOM 0 HA ARG A 94 -0.758 -13.163 -8.855 1.00 1.30 H new ATOM 0 HB2 ARG A 94 -0.427 -12.752 -6.434 1.00 61.43 H new ATOM 0 HB3 ARG A 94 0.396 -14.189 -7.007 1.00 61.43 H new ATOM 0 HG2 ARG A 94 1.819 -13.020 -5.415 1.00 5.24 H new ATOM 0 HG3 ARG A 94 2.562 -12.968 -7.001 1.00 5.24 H new ATOM 0 HD2 ARG A 94 2.249 -10.669 -7.238 1.00 72.15 H new ATOM 0 HD3 ARG A 94 0.793 -10.650 -6.263 1.00 72.15 H new ATOM 0 HE ARG A 94 3.056 -11.382 -4.678 1.00 5.03 H new ATOM 0 HH11 ARG A 94 1.608 -8.399 -6.028 1.00 25.33 H new ATOM 0 HH12 ARG A 94 2.369 -7.412 -4.776 1.00 25.33 H new ATOM 0 HH21 ARG A 94 3.978 -10.148 -3.234 1.00 31.31 H new ATOM 0 HH22 ARG A 94 3.710 -8.402 -3.200 1.00 31.31 H new ATOM 1462 N SER A 95 -1.113 -10.581 -8.029 1.00 63.54 N ATOM 1463 CA SER A 95 -1.087 -9.137 -7.767 1.00 14.31 C ATOM 1464 C SER A 95 -2.184 -8.571 -6.859 1.00 73.15 C ATOM 1465 O SER A 95 -3.348 -8.999 -6.800 1.00 52.42 O ATOM 1466 CB SER A 95 -1.171 -8.316 -9.078 1.00 70.42 C ATOM 1467 OG SER A 95 -2.173 -8.829 -9.946 1.00 22.40 O ATOM 0 H SER A 95 -1.955 -11.069 -7.724 1.00 63.54 H new ATOM 0 HA SER A 95 -0.136 -9.035 -7.245 1.00 14.31 H new ATOM 0 HB2 SER A 95 -1.389 -7.274 -8.844 1.00 70.42 H new ATOM 0 HB3 SER A 95 -0.205 -8.334 -9.583 1.00 70.42 H new ATOM 0 HG SER A 95 -2.204 -8.290 -10.764 1.00 22.40 H new ATOM 1473 N PHE A 96 -1.746 -7.509 -6.192 1.00 25.44 N ATOM 1474 CA PHE A 96 -2.290 -6.873 -5.015 1.00 72.54 C ATOM 1475 C PHE A 96 -2.740 -5.436 -5.288 1.00 53.15 C ATOM 1476 O PHE A 96 -2.275 -4.790 -6.226 1.00 5.03 O ATOM 1477 CB PHE A 96 -1.146 -6.793 -3.992 1.00 43.02 C ATOM 1478 CG PHE A 96 -1.222 -7.709 -2.798 1.00 30.12 C ATOM 1479 CD1 PHE A 96 -2.159 -7.398 -1.796 1.00 50.24 C ATOM 1480 CD2 PHE A 96 -0.294 -8.761 -2.600 1.00 45.23 C ATOM 1481 CE1 PHE A 96 -2.288 -8.201 -0.660 1.00 3.31 C ATOM 1482 CE2 PHE A 96 -0.372 -9.493 -1.392 1.00 65.11 C ATOM 1483 CZ PHE A 96 -1.409 -9.267 -0.478 1.00 74.41 C ATOM 0 H PHE A 96 -0.905 -7.024 -6.506 1.00 25.44 H new ATOM 0 HA PHE A 96 -3.152 -7.447 -4.674 1.00 72.54 H new ATOM 0 HB2 PHE A 96 -0.211 -6.997 -4.514 1.00 43.02 H new ATOM 0 HB3 PHE A 96 -1.090 -5.767 -3.627 1.00 43.02 H new ATOM 0 HD1 PHE A 96 -2.787 -6.527 -1.906 1.00 50.24 H new ATOM 0 HD2 PHE A 96 0.449 -8.997 -3.347 1.00 45.23 H new ATOM 0 HE1 PHE A 96 -3.059 -7.998 0.068 1.00 3.31 H new ATOM 0 HE2 PHE A 96 0.379 -10.237 -1.171 1.00 65.11 H new ATOM 0 HZ PHE A 96 -1.528 -9.922 0.372 1.00 74.41 H new ATOM 1493 N THR A 97 -3.532 -4.849 -4.392 1.00 24.42 N ATOM 1494 CA THR A 97 -3.652 -3.397 -4.226 1.00 41.45 C ATOM 1495 C THR A 97 -3.969 -3.147 -2.757 1.00 73.12 C ATOM 1496 O THR A 97 -4.597 -3.990 -2.106 1.00 2.21 O ATOM 1497 CB THR A 97 -4.740 -2.804 -5.148 1.00 32.14 C ATOM 1498 OG1 THR A 97 -4.556 -3.298 -6.457 1.00 63.25 O ATOM 1499 CG2 THR A 97 -4.762 -1.272 -5.226 1.00 71.54 C ATOM 0 H THR A 97 -4.120 -5.377 -3.748 1.00 24.42 H new ATOM 0 HA THR A 97 -2.723 -2.903 -4.510 1.00 41.45 H new ATOM 0 HB THR A 97 -5.689 -3.110 -4.707 1.00 32.14 H new ATOM 0 HG1 THR A 97 -3.680 -3.733 -6.522 1.00 63.25 H new ATOM 0 HG21 THR A 97 -5.559 -0.953 -5.897 1.00 71.54 H new ATOM 0 HG22 THR A 97 -4.938 -0.860 -4.232 1.00 71.54 H new ATOM 0 HG23 THR A 97 -3.805 -0.913 -5.604 1.00 71.54 H new ATOM 1507 N VAL A 98 -3.554 -1.994 -2.251 1.00 65.35 N ATOM 1508 CA VAL A 98 -3.749 -1.565 -0.882 1.00 73.13 C ATOM 1509 C VAL A 98 -4.228 -0.117 -0.932 1.00 74.35 C ATOM 1510 O VAL A 98 -3.569 0.728 -1.542 1.00 10.44 O ATOM 1511 CB VAL A 98 -2.446 -1.760 -0.078 1.00 34.13 C ATOM 1512 CG1 VAL A 98 -2.215 -3.248 0.238 1.00 51.32 C ATOM 1513 CG2 VAL A 98 -1.183 -1.228 -0.752 1.00 53.13 C ATOM 0 H VAL A 98 -3.051 -1.306 -2.811 1.00 65.35 H new ATOM 0 HA VAL A 98 -4.501 -2.160 -0.365 1.00 73.13 H new ATOM 0 HB VAL A 98 -2.605 -1.172 0.826 1.00 34.13 H new ATOM 0 HG11 VAL A 98 -1.291 -3.360 0.805 1.00 51.32 H new ATOM 0 HG12 VAL A 98 -3.050 -3.629 0.826 1.00 51.32 H new ATOM 0 HG13 VAL A 98 -2.140 -3.810 -0.693 1.00 51.32 H new ATOM 0 HG21 VAL A 98 -0.322 -1.412 -0.109 1.00 53.13 H new ATOM 0 HG22 VAL A 98 -1.039 -1.735 -1.706 1.00 53.13 H new ATOM 0 HG23 VAL A 98 -1.286 -0.156 -0.923 1.00 53.13 H new ATOM 1523 N CYS A 99 -5.399 0.159 -0.353 1.00 62.33 N ATOM 1524 CA CYS A 99 -5.962 1.500 -0.292 1.00 25.51 C ATOM 1525 C CYS A 99 -6.148 1.899 1.171 1.00 5.32 C ATOM 1526 O CYS A 99 -6.573 1.096 2.010 1.00 62.23 O ATOM 1527 CB CYS A 99 -7.279 1.517 -1.068 1.00 50.31 C ATOM 1528 SG CYS A 99 -7.817 3.183 -1.536 1.00 25.30 S ATOM 0 H CYS A 99 -5.984 -0.551 0.089 1.00 62.33 H new ATOM 0 HA CYS A 99 -5.293 2.228 -0.750 1.00 25.51 H new ATOM 0 HB2 CYS A 99 -7.170 0.912 -1.968 1.00 50.31 H new ATOM 0 HB3 CYS A 99 -8.055 1.049 -0.462 1.00 50.31 H new ATOM 0 HG CYS A 99 -8.938 3.109 -2.191 1.00 25.30 H new ATOM 1534 N VAL A 100 -5.809 3.148 1.446 1.00 44.44 N ATOM 1535 CA VAL A 100 -5.865 3.838 2.728 1.00 21.43 C ATOM 1536 C VAL A 100 -6.469 5.227 2.495 1.00 72.15 C ATOM 1537 O VAL A 100 -5.880 6.058 1.808 1.00 43.02 O ATOM 1538 CB VAL A 100 -4.480 3.908 3.418 1.00 25.10 C ATOM 1539 CG1 VAL A 100 -3.926 2.504 3.679 1.00 31.22 C ATOM 1540 CG2 VAL A 100 -3.374 4.689 2.683 1.00 11.04 C ATOM 0 H VAL A 100 -5.455 3.762 0.712 1.00 44.44 H new ATOM 0 HA VAL A 100 -6.497 3.277 3.416 1.00 21.43 H new ATOM 0 HB VAL A 100 -4.705 4.460 4.331 1.00 25.10 H new ATOM 0 HG11 VAL A 100 -2.953 2.581 4.164 1.00 31.22 H new ATOM 0 HG12 VAL A 100 -4.612 1.957 4.326 1.00 31.22 H new ATOM 0 HG13 VAL A 100 -3.819 1.974 2.733 1.00 31.22 H new ATOM 0 HG21 VAL A 100 -2.457 4.661 3.271 1.00 11.04 H new ATOM 0 HG22 VAL A 100 -3.194 4.235 1.709 1.00 11.04 H new ATOM 0 HG23 VAL A 100 -3.688 5.724 2.548 1.00 11.04 H new ATOM 1550 N GLU A 101 -7.687 5.469 2.960 1.00 21.31 N ATOM 1551 CA GLU A 101 -8.207 6.819 3.125 1.00 50.32 C ATOM 1552 C GLU A 101 -7.534 7.420 4.365 1.00 54.33 C ATOM 1553 O GLU A 101 -7.272 6.722 5.355 1.00 63.45 O ATOM 1554 CB GLU A 101 -9.734 6.720 3.276 1.00 41.42 C ATOM 1555 CG GLU A 101 -10.511 8.035 3.480 1.00 5.10 C ATOM 1556 CD GLU A 101 -11.979 7.791 3.879 1.00 12.51 C ATOM 1557 OE1 GLU A 101 -12.641 6.866 3.345 1.00 21.04 O ATOM 1558 OE2 GLU A 101 -12.489 8.494 4.786 1.00 73.23 O ATOM 0 H GLU A 101 -8.342 4.736 3.233 1.00 21.31 H new ATOM 0 HA GLU A 101 -7.995 7.464 2.272 1.00 50.32 H new ATOM 0 HB2 GLU A 101 -10.130 6.229 2.387 1.00 41.42 H new ATOM 0 HB3 GLU A 101 -9.948 6.067 4.122 1.00 41.42 H new ATOM 0 HG2 GLU A 101 -10.021 8.628 4.252 1.00 5.10 H new ATOM 0 HG3 GLU A 101 -10.479 8.620 2.561 1.00 5.10 H new ATOM 1565 N ALA A 102 -7.267 8.723 4.302 1.00 65.35 N ATOM 1566 CA ALA A 102 -6.747 9.531 5.385 1.00 42.21 C ATOM 1567 C ALA A 102 -7.428 10.893 5.297 1.00 11.23 C ATOM 1568 O ALA A 102 -7.019 11.755 4.523 1.00 13.14 O ATOM 1569 CB ALA A 102 -5.221 9.649 5.275 1.00 72.21 C ATOM 0 H ALA A 102 -7.417 9.263 3.450 1.00 65.35 H new ATOM 0 HA ALA A 102 -6.955 9.076 6.354 1.00 42.21 H new ATOM 0 HB1 ALA A 102 -4.843 10.259 6.095 1.00 72.21 H new ATOM 0 HB2 ALA A 102 -4.775 8.656 5.326 1.00 72.21 H new ATOM 0 HB3 ALA A 102 -4.960 10.116 4.325 1.00 72.21 H new ATOM 1575 N GLY A 103 -8.499 11.112 6.052 1.00 4.10 N ATOM 1576 CA GLY A 103 -9.197 12.389 6.002 1.00 65.24 C ATOM 1577 C GLY A 103 -9.909 12.588 4.678 1.00 73.15 C ATOM 1578 O GLY A 103 -10.955 11.971 4.477 1.00 50.42 O ATOM 0 H GLY A 103 -8.898 10.431 6.698 1.00 4.10 H new ATOM 0 HA2 GLY A 103 -9.921 12.440 6.816 1.00 65.24 H new ATOM 0 HA3 GLY A 103 -8.485 13.199 6.157 1.00 65.24 H new ATOM 1582 N ASN A 104 -9.390 13.459 3.811 1.00 24.34 N ATOM 1583 CA ASN A 104 -10.107 13.889 2.612 1.00 24.52 C ATOM 1584 C ASN A 104 -9.541 13.300 1.325 1.00 14.20 C ATOM 1585 O ASN A 104 -10.003 13.651 0.239 1.00 25.20 O ATOM 1586 CB ASN A 104 -10.158 15.420 2.531 1.00 12.31 C ATOM 1587 CG ASN A 104 -11.562 15.858 2.178 1.00 72.32 C ATOM 1588 OD1 ASN A 104 -11.890 16.084 1.025 1.00 2.14 O ATOM 1589 ND2 ASN A 104 -12.469 15.871 3.139 1.00 33.04 N ATOM 0 H ASN A 104 -8.468 13.883 3.919 1.00 24.34 H new ATOM 0 HA ASN A 104 -11.121 13.500 2.706 1.00 24.52 H new ATOM 0 HB2 ASN A 104 -9.858 15.856 3.484 1.00 12.31 H new ATOM 0 HB3 ASN A 104 -9.454 15.779 1.781 1.00 12.31 H new ATOM 0 HD21 ASN A 104 -13.444 16.070 2.917 1.00 33.04 H new ATOM 0 HD22 ASN A 104 -12.194 15.682 4.103 1.00 33.04 H new ATOM 1596 N ALA A 105 -8.529 12.440 1.430 1.00 21.21 N ATOM 1597 CA ALA A 105 -7.891 11.826 0.261 1.00 32.23 C ATOM 1598 C ALA A 105 -7.390 10.417 0.582 1.00 53.34 C ATOM 1599 O ALA A 105 -7.416 9.993 1.741 1.00 64.21 O ATOM 1600 CB ALA A 105 -6.775 12.743 -0.276 1.00 65.53 C ATOM 0 H ALA A 105 -8.128 12.149 2.322 1.00 21.21 H new ATOM 0 HA ALA A 105 -8.632 11.715 -0.530 1.00 32.23 H new ATOM 0 HB1 ALA A 105 -6.308 12.278 -1.144 1.00 65.53 H new ATOM 0 HB2 ALA A 105 -7.201 13.704 -0.565 1.00 65.53 H new ATOM 0 HB3 ALA A 105 -6.026 12.897 0.500 1.00 65.53 H new ATOM 1606 N PHE A 106 -6.931 9.700 -0.439 1.00 22.52 N ATOM 1607 CA PHE A 106 -6.536 8.301 -0.407 1.00 54.34 C ATOM 1608 C PHE A 106 -5.373 8.143 -1.399 1.00 70.43 C ATOM 1609 O PHE A 106 -5.544 8.350 -2.602 1.00 21.20 O ATOM 1610 CB PHE A 106 -7.738 7.399 -0.768 1.00 3.01 C ATOM 1611 CG PHE A 106 -8.664 7.930 -1.846 1.00 73.35 C ATOM 1612 CD1 PHE A 106 -9.704 8.813 -1.495 1.00 74.32 C ATOM 1613 CD2 PHE A 106 -8.464 7.587 -3.197 1.00 73.53 C ATOM 1614 CE1 PHE A 106 -10.505 9.387 -2.496 1.00 24.42 C ATOM 1615 CE2 PHE A 106 -9.294 8.132 -4.192 1.00 61.44 C ATOM 1616 CZ PHE A 106 -10.312 9.036 -3.843 1.00 43.22 C ATOM 0 H PHE A 106 -6.819 10.108 -1.367 1.00 22.52 H new ATOM 0 HA PHE A 106 -6.213 7.996 0.588 1.00 54.34 H new ATOM 0 HB2 PHE A 106 -7.357 6.430 -1.089 1.00 3.01 H new ATOM 0 HB3 PHE A 106 -8.324 7.228 0.135 1.00 3.01 H new ATOM 0 HD1 PHE A 106 -9.885 9.049 -0.457 1.00 74.32 H new ATOM 0 HD2 PHE A 106 -7.672 6.905 -3.469 1.00 73.53 H new ATOM 0 HE1 PHE A 106 -11.271 10.100 -2.230 1.00 24.42 H new ATOM 0 HE2 PHE A 106 -9.149 7.856 -5.226 1.00 61.44 H new ATOM 0 HZ PHE A 106 -10.945 9.460 -4.609 1.00 43.22 H new ATOM 1626 N ASP A 107 -4.176 7.819 -0.907 1.00 53.43 N ATOM 1627 CA ASP A 107 -2.989 7.544 -1.730 1.00 13.21 C ATOM 1628 C ASP A 107 -2.833 6.025 -1.745 1.00 51.15 C ATOM 1629 O ASP A 107 -2.516 5.428 -0.710 1.00 31.43 O ATOM 1630 CB ASP A 107 -1.778 8.252 -1.123 1.00 22.12 C ATOM 1631 CG ASP A 107 -0.734 8.748 -2.118 1.00 41.22 C ATOM 1632 OD1 ASP A 107 0.232 8.013 -2.416 1.00 61.43 O ATOM 1633 OD2 ASP A 107 -0.763 9.952 -2.449 1.00 62.53 O ATOM 0 H ASP A 107 -3.997 7.738 0.094 1.00 53.43 H new ATOM 0 HA ASP A 107 -3.083 7.915 -2.751 1.00 13.21 H new ATOM 0 HB2 ASP A 107 -2.132 9.103 -0.541 1.00 22.12 H new ATOM 0 HB3 ASP A 107 -1.293 7.569 -0.426 1.00 22.12 H new ATOM 1638 N GLU A 108 -3.280 5.369 -2.815 1.00 2.02 N ATOM 1639 CA GLU A 108 -3.411 3.906 -2.857 1.00 5.13 C ATOM 1640 C GLU A 108 -2.265 3.359 -3.701 1.00 63.25 C ATOM 1641 O GLU A 108 -1.712 4.089 -4.527 1.00 23.13 O ATOM 1642 CB GLU A 108 -4.786 3.450 -3.362 1.00 45.42 C ATOM 1643 CG GLU A 108 -4.989 3.071 -4.827 1.00 53.15 C ATOM 1644 CD GLU A 108 -4.895 4.188 -5.870 1.00 23.44 C ATOM 1645 OE1 GLU A 108 -5.522 5.258 -5.699 1.00 13.44 O ATOM 1646 OE2 GLU A 108 -4.361 3.901 -6.965 1.00 62.13 O ATOM 0 H GLU A 108 -3.562 5.833 -3.679 1.00 2.02 H new ATOM 0 HA GLU A 108 -3.345 3.504 -1.846 1.00 5.13 H new ATOM 0 HB2 GLU A 108 -5.078 2.587 -2.763 1.00 45.42 H new ATOM 0 HB3 GLU A 108 -5.492 4.249 -3.136 1.00 45.42 H new ATOM 0 HG2 GLU A 108 -4.251 2.311 -5.082 1.00 53.15 H new ATOM 0 HG3 GLU A 108 -5.971 2.606 -4.920 1.00 53.15 H new ATOM 1653 N PHE A 109 -1.917 2.083 -3.543 1.00 41.04 N ATOM 1654 CA PHE A 109 -0.738 1.521 -4.190 1.00 13.11 C ATOM 1655 C PHE A 109 -1.032 0.153 -4.767 1.00 52.12 C ATOM 1656 O PHE A 109 -1.724 -0.662 -4.147 1.00 21.33 O ATOM 1657 CB PHE A 109 0.391 1.401 -3.170 1.00 1.23 C ATOM 1658 CG PHE A 109 0.694 2.668 -2.402 1.00 64.12 C ATOM 1659 CD1 PHE A 109 1.039 3.837 -3.104 1.00 74.31 C ATOM 1660 CD2 PHE A 109 0.706 2.661 -0.993 1.00 73.15 C ATOM 1661 CE1 PHE A 109 1.342 5.009 -2.398 1.00 64.52 C ATOM 1662 CE2 PHE A 109 1.056 3.831 -0.292 1.00 63.14 C ATOM 1663 CZ PHE A 109 1.355 5.011 -0.995 1.00 25.42 C ATOM 0 H PHE A 109 -2.438 1.419 -2.970 1.00 41.04 H new ATOM 0 HA PHE A 109 -0.445 2.185 -5.003 1.00 13.11 H new ATOM 0 HB2 PHE A 109 0.136 0.615 -2.459 1.00 1.23 H new ATOM 0 HB3 PHE A 109 1.296 1.082 -3.687 1.00 1.23 H new ATOM 0 HD1 PHE A 109 1.070 3.831 -4.184 1.00 74.31 H new ATOM 0 HD2 PHE A 109 0.448 1.762 -0.453 1.00 73.15 H new ATOM 0 HE1 PHE A 109 1.567 5.917 -2.938 1.00 64.52 H new ATOM 0 HE2 PHE A 109 1.095 3.822 0.787 1.00 63.14 H new ATOM 0 HZ PHE A 109 1.594 5.916 -0.457 1.00 25.42 H new ATOM 1673 N LYS A 110 -0.429 -0.129 -5.922 1.00 24.44 N ATOM 1674 CA LYS A 110 -0.584 -1.398 -6.616 1.00 74.22 C ATOM 1675 C LYS A 110 0.716 -2.166 -6.563 1.00 43.03 C ATOM 1676 O LYS A 110 1.775 -1.564 -6.709 1.00 71.24 O ATOM 1677 CB LYS A 110 -1.020 -1.149 -8.064 1.00 44.03 C ATOM 1678 CG LYS A 110 -2.309 -1.920 -8.315 1.00 14.14 C ATOM 1679 CD LYS A 110 -2.836 -1.642 -9.711 1.00 62.51 C ATOM 1680 CE LYS A 110 -4.250 -2.220 -9.810 1.00 64.42 C ATOM 1681 NZ LYS A 110 -4.877 -1.875 -11.099 1.00 24.44 N ATOM 0 H LYS A 110 0.186 0.527 -6.403 1.00 24.44 H new ATOM 0 HA LYS A 110 -1.355 -1.993 -6.127 1.00 74.22 H new ATOM 0 HB2 LYS A 110 -1.175 -0.084 -8.236 1.00 44.03 H new ATOM 0 HB3 LYS A 110 -0.243 -1.474 -8.756 1.00 44.03 H new ATOM 0 HG2 LYS A 110 -2.129 -2.988 -8.195 1.00 14.14 H new ATOM 0 HG3 LYS A 110 -3.058 -1.637 -7.575 1.00 14.14 H new ATOM 0 HD2 LYS A 110 -2.849 -0.570 -9.906 1.00 62.51 H new ATOM 0 HD3 LYS A 110 -2.186 -2.095 -10.460 1.00 62.51 H new ATOM 0 HE2 LYS A 110 -4.211 -3.304 -9.700 1.00 64.42 H new ATOM 0 HE3 LYS A 110 -4.860 -1.838 -8.992 1.00 64.42 H new ATOM 0 HZ1 LYS A 110 -5.834 -2.280 -11.139 1.00 24.44 H new ATOM 0 HZ2 LYS A 110 -4.934 -0.841 -11.191 1.00 24.44 H new ATOM 0 HZ3 LYS A 110 -4.306 -2.261 -11.877 1.00 24.44 H new ATOM 1695 N PHE A 111 0.650 -3.479 -6.377 1.00 10.11 N ATOM 1696 CA PHE A 111 1.822 -4.306 -6.174 1.00 21.11 C ATOM 1697 C PHE A 111 1.755 -5.567 -7.040 1.00 52.14 C ATOM 1698 O PHE A 111 0.816 -6.367 -6.937 1.00 44.44 O ATOM 1699 CB PHE A 111 1.871 -4.694 -4.708 1.00 1.30 C ATOM 1700 CG PHE A 111 2.367 -3.657 -3.724 1.00 31.44 C ATOM 1701 CD1 PHE A 111 1.458 -2.731 -3.190 1.00 5.23 C ATOM 1702 CD2 PHE A 111 3.688 -3.694 -3.233 1.00 70.34 C ATOM 1703 CE1 PHE A 111 1.874 -1.849 -2.184 1.00 42.32 C ATOM 1704 CE2 PHE A 111 4.090 -2.840 -2.195 1.00 5.21 C ATOM 1705 CZ PHE A 111 3.182 -1.906 -1.681 1.00 12.32 C ATOM 0 H PHE A 111 -0.228 -3.999 -6.364 1.00 10.11 H new ATOM 0 HA PHE A 111 2.717 -3.752 -6.458 1.00 21.11 H new ATOM 0 HB2 PHE A 111 0.867 -4.991 -4.405 1.00 1.30 H new ATOM 0 HB3 PHE A 111 2.505 -5.576 -4.615 1.00 1.30 H new ATOM 0 HD1 PHE A 111 0.441 -2.698 -3.553 1.00 5.23 H new ATOM 0 HD2 PHE A 111 4.398 -4.387 -3.660 1.00 70.34 H new ATOM 0 HE1 PHE A 111 1.181 -1.119 -1.792 1.00 42.32 H new ATOM 0 HE2 PHE A 111 5.092 -2.902 -1.796 1.00 5.21 H new ATOM 0 HZ PHE A 111 3.489 -1.229 -0.897 1.00 12.32 H new ATOM 1715 N VAL A 112 2.805 -5.811 -7.815 1.00 64.24 N ATOM 1716 CA VAL A 112 2.968 -6.928 -8.731 1.00 70.23 C ATOM 1717 C VAL A 112 4.294 -7.609 -8.378 1.00 62.33 C ATOM 1718 O VAL A 112 5.346 -6.964 -8.352 1.00 71.12 O ATOM 1719 CB VAL A 112 2.855 -6.413 -10.185 1.00 45.32 C ATOM 1720 CG1 VAL A 112 3.754 -5.199 -10.484 1.00 44.32 C ATOM 1721 CG2 VAL A 112 3.134 -7.528 -11.205 1.00 52.33 C ATOM 0 H VAL A 112 3.616 -5.193 -7.819 1.00 64.24 H new ATOM 0 HA VAL A 112 2.187 -7.682 -8.640 1.00 70.23 H new ATOM 0 HB VAL A 112 1.822 -6.080 -10.286 1.00 45.32 H new ATOM 0 HG11 VAL A 112 3.621 -4.894 -11.522 1.00 44.32 H new ATOM 0 HG12 VAL A 112 3.482 -4.374 -9.826 1.00 44.32 H new ATOM 0 HG13 VAL A 112 4.797 -5.468 -10.316 1.00 44.32 H new ATOM 0 HG21 VAL A 112 3.045 -7.128 -12.215 1.00 52.33 H new ATOM 0 HG22 VAL A 112 4.142 -7.914 -11.055 1.00 52.33 H new ATOM 0 HG23 VAL A 112 2.413 -8.334 -11.069 1.00 52.33 H new ATOM 1731 N GLN A 113 4.240 -8.910 -8.077 1.00 74.24 N ATOM 1732 CA GLN A 113 5.422 -9.714 -7.766 1.00 51.25 C ATOM 1733 C GLN A 113 5.542 -10.837 -8.786 1.00 62.52 C ATOM 1734 O GLN A 113 4.547 -11.371 -9.285 1.00 3.13 O ATOM 1735 CB GLN A 113 5.343 -10.278 -6.352 1.00 11.22 C ATOM 1736 CG GLN A 113 6.497 -11.156 -5.863 1.00 24.41 C ATOM 1737 CD GLN A 113 6.321 -11.538 -4.384 1.00 14.22 C ATOM 1738 OE1 GLN A 113 5.201 -11.571 -3.868 1.00 72.45 O ATOM 1739 NE2 GLN A 113 7.401 -11.821 -3.678 1.00 30.53 N ATOM 0 H GLN A 113 3.367 -9.437 -8.043 1.00 74.24 H new ATOM 0 HA GLN A 113 6.308 -9.081 -7.817 1.00 51.25 H new ATOM 0 HB2 GLN A 113 5.247 -9.439 -5.663 1.00 11.22 H new ATOM 0 HB3 GLN A 113 4.425 -10.860 -6.276 1.00 11.22 H new ATOM 0 HG2 GLN A 113 6.552 -12.060 -6.470 1.00 24.41 H new ATOM 0 HG3 GLN A 113 7.441 -10.626 -5.994 1.00 24.41 H new ATOM 0 HE21 GLN A 113 8.321 -11.790 -4.118 1.00 30.53 H new ATOM 0 HE22 GLN A 113 7.315 -12.071 -2.693 1.00 30.53 H new ATOM 1748 N ASP A 114 6.789 -11.159 -9.096 1.00 4.12 N ATOM 1749 CA ASP A 114 7.157 -12.224 -10.032 1.00 53.41 C ATOM 1750 C ASP A 114 6.982 -13.633 -9.460 1.00 72.11 C ATOM 1751 O ASP A 114 6.921 -13.844 -8.249 1.00 34.20 O ATOM 1752 CB ASP A 114 8.621 -12.050 -10.473 1.00 24.43 C ATOM 1753 CG ASP A 114 8.752 -11.188 -11.724 1.00 23.33 C ATOM 1754 OD1 ASP A 114 8.865 -9.950 -11.611 1.00 13.33 O ATOM 1755 OD2 ASP A 114 8.700 -11.727 -12.848 1.00 72.21 O ATOM 0 H ASP A 114 7.596 -10.679 -8.697 1.00 4.12 H new ATOM 0 HA ASP A 114 6.475 -12.130 -10.877 1.00 53.41 H new ATOM 0 HB2 ASP A 114 9.191 -11.597 -9.662 1.00 24.43 H new ATOM 0 HB3 ASP A 114 9.060 -13.030 -10.662 1.00 24.43 H new ATOM 1760 N ALA A 115 6.958 -14.619 -10.356 1.00 34.24 N ATOM 1761 CA ALA A 115 7.128 -16.039 -10.087 1.00 33.13 C ATOM 1762 C ALA A 115 8.581 -16.386 -9.802 1.00 43.42 C ATOM 1763 O ALA A 115 9.491 -15.730 -10.321 1.00 51.41 O ATOM 1764 CB ALA A 115 6.755 -16.797 -11.348 1.00 70.33 C ATOM 0 H ALA A 115 6.810 -14.432 -11.348 1.00 34.24 H new ATOM 0 HA ALA A 115 6.512 -16.297 -9.226 1.00 33.13 H new ATOM 0 HB1 ALA A 115 6.873 -17.867 -11.177 1.00 70.33 H new ATOM 0 HB2 ALA A 115 5.718 -16.583 -11.608 1.00 70.33 H new ATOM 0 HB3 ALA A 115 7.406 -16.486 -12.165 1.00 70.33 H new ATOM 1770 N ALA A 116 8.794 -17.490 -9.090 1.00 31.22 N ATOM 1771 CA ALA A 116 10.076 -18.177 -9.068 1.00 54.42 C ATOM 1772 C ALA A 116 10.441 -18.624 -10.486 1.00 34.32 C ATOM 1773 O ALA A 116 9.565 -18.850 -11.332 1.00 2.11 O ATOM 1774 CB ALA A 116 9.969 -19.378 -8.125 1.00 23.22 C ATOM 0 H ALA A 116 8.079 -17.932 -8.512 1.00 31.22 H new ATOM 0 HA ALA A 116 10.861 -17.511 -8.710 1.00 54.42 H new ATOM 0 HB1 ALA A 116 10.923 -19.905 -8.097 1.00 23.22 H new ATOM 0 HB2 ALA A 116 9.716 -19.032 -7.123 1.00 23.22 H new ATOM 0 HB3 ALA A 116 9.192 -20.053 -8.483 1.00 23.22 H new ATOM 1780 N LYS A 117 11.735 -18.784 -10.751 1.00 10.44 N ATOM 1781 CA LYS A 117 12.243 -19.388 -11.972 1.00 25.41 C ATOM 1782 C LYS A 117 13.286 -20.452 -11.627 1.00 21.41 C ATOM 1783 O LYS A 117 14.361 -20.526 -12.226 1.00 43.43 O ATOM 1784 CB LYS A 117 12.722 -18.301 -12.948 1.00 1.12 C ATOM 1785 CG LYS A 117 12.556 -18.829 -14.375 1.00 32.42 C ATOM 1786 CD LYS A 117 13.074 -17.841 -15.425 1.00 25.52 C ATOM 1787 CE LYS A 117 13.282 -18.574 -16.756 1.00 33.23 C ATOM 1788 NZ LYS A 117 14.687 -18.988 -16.958 1.00 4.14 N ATOM 0 H LYS A 117 12.471 -18.491 -10.109 1.00 10.44 H new ATOM 0 HA LYS A 117 11.449 -19.914 -12.503 1.00 25.41 H new ATOM 0 HB2 LYS A 117 12.144 -17.387 -12.812 1.00 1.12 H new ATOM 0 HB3 LYS A 117 13.765 -18.050 -12.755 1.00 1.12 H new ATOM 0 HG2 LYS A 117 13.090 -19.774 -14.475 1.00 32.42 H new ATOM 0 HG3 LYS A 117 11.503 -19.036 -14.563 1.00 32.42 H new ATOM 0 HD2 LYS A 117 12.363 -17.025 -15.554 1.00 25.52 H new ATOM 0 HD3 LYS A 117 14.012 -17.397 -15.091 1.00 25.52 H new ATOM 0 HE2 LYS A 117 12.639 -19.453 -16.788 1.00 33.23 H new ATOM 0 HE3 LYS A 117 12.976 -17.925 -17.577 1.00 33.23 H new ATOM 0 HZ1 LYS A 117 14.777 -19.479 -17.871 1.00 4.14 H new ATOM 0 HZ2 LYS A 117 15.300 -18.148 -16.955 1.00 4.14 H new ATOM 0 HZ3 LYS A 117 14.974 -19.629 -16.191 1.00 4.14 H new ATOM 1802 N GLN A 118 12.954 -21.263 -10.633 1.00 22.14 N ATOM 1803 CA GLN A 118 13.697 -22.453 -10.264 1.00 21.52 C ATOM 1804 C GLN A 118 13.665 -23.391 -11.461 1.00 31.51 C ATOM 1805 O GLN A 118 12.599 -23.490 -12.106 1.00 3.12 O ATOM 1806 CB GLN A 118 13.078 -23.036 -8.983 1.00 32.51 C ATOM 1807 CG GLN A 118 13.343 -22.130 -7.761 1.00 45.04 C ATOM 1808 CD GLN A 118 12.392 -22.363 -6.581 1.00 64.11 C ATOM 1809 OE1 GLN A 118 11.827 -23.439 -6.384 1.00 11.23 O ATOM 1810 NE2 GLN A 118 12.193 -21.351 -5.755 1.00 54.34 N ATOM 0 H GLN A 118 12.136 -21.104 -10.045 1.00 22.14 H new ATOM 0 HA GLN A 118 14.744 -22.257 -10.031 1.00 21.52 H new ATOM 0 HB2 GLN A 118 12.004 -23.158 -9.120 1.00 32.51 H new ATOM 0 HB3 GLN A 118 13.490 -24.028 -8.798 1.00 32.51 H new ATOM 0 HG2 GLN A 118 14.367 -22.287 -7.423 1.00 45.04 H new ATOM 0 HG3 GLN A 118 13.267 -21.088 -8.073 1.00 45.04 H new ATOM 0 HE21 GLN A 118 12.661 -20.460 -5.918 1.00 54.34 H new ATOM 0 HE22 GLN A 118 11.571 -21.461 -4.954 1.00 54.34 H new TER 1819 GLN A 118