USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 989 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 70 TYR OH : rot 44:sc= 0.685 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.613 K(o=1.3,f=-0.85) USER MOD Set 2.1: A 101 MET CE :methyl -172:sc= -5.54! (180deg=-5.61!) USER MOD Set 2.2: A 109 SER OG : rot -15:sc= 0.448 USER MOD Set 2.3: A 126 ASN : amide:sc= -1.24 K(o=-6.3,f=-8.9!) USER MOD Set 3.1: A 73 ASN : amide:sc= 0.499 K(o=-0.22,f=-0.77) USER MOD Set 3.2: A 128 ASN : amide:sc= -0.718 X(o=-0.22,f=-0.11) USER MOD Set 4.1: A 22 MET CE :methyl 139:sc= -0.606 (180deg=-2.12!) USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 39 ASN : amide:sc= -0.453 K(o=-1.2,f=-2.1) USER MOD Set 5.2: A 104 ASN :FLIP amide:sc= -0.769 F(o=-3,f=-1.2) USER MOD Set 6.1: A 15 GLN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Set 6.2: A 25 GLN : amide:sc= 0 K(o=0.18,f=-0.49) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.115 (180deg=-0.124) USER MOD Single : A 3 HIS : no HE2:sc= -0.0458 K(o=-0.046,f=-1.2) USER MOD Single : A 4 HIS : no HD1:sc= -0.978 X(o=-0.98,f=-0.58) USER MOD Single : A 5 HIS : no HD1:sc=-0.000139 X(o=-0.00014,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= 0.373 K(o=0.37,f=-3.8!) USER MOD Single : A 8 HIS : no HE2:sc= -0.0321 K(o=-0.032,f=-1.1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 39:sc= -1.18 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.399 K(o=0.4,f=-5.3!) USER MOD Single : A 21 SER OG : rot -70:sc= 1.16 USER MOD Single : A 29 SER OG : rot 14:sc= 0.651 USER MOD Single : A 33 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -1.19 (180deg=-3.48!) USER MOD Single : A 36 THR OG1 : rot -0:sc= 0.786 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -54:sc= -2.49! USER MOD Single : A 41 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2.1!) USER MOD Single : A 53 CYS SG : rot -120:sc= -1.43 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0.899 (180deg=0.84) USER MOD Single : A 68 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.42) USER MOD Single : A 69 GLN : amide:sc= -1.02 K(o=-1,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.329 (180deg=-0.0612) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= -2.23! (180deg=-3.48!) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 84 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.9!) USER MOD Single : A 85 GLN : amide:sc= 0.543 K(o=0.54,f=-0.23) USER MOD Single : A 89 THR OG1 : rot 150:sc= 0.269 USER MOD Single : A 90 GLN : amide:sc= -0.0464 K(o=-0.046,f=-0.61) USER MOD Single : A 91 TYR OH : rot 172:sc= -1.84! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 160:sc= -0.0433 USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= 1.15 (180deg=1.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc=-0.00546 (180deg=-0.118) USER MOD Single : A 110 GLN :FLIP amide:sc= -1.2 F(o=-2.1!,f=-1.2) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -109:sc= 0.0261 (180deg=-1.54!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.863 K(o=-0.86,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.834 23.128 -7.150 1.00 21.52 N ATOM 2 CA MET A 1 17.390 22.245 -6.096 1.00 13.11 C ATOM 3 C MET A 1 17.406 20.781 -6.538 1.00 44.12 C ATOM 4 O MET A 1 17.920 19.916 -5.820 1.00 13.41 O ATOM 5 CB MET A 1 16.574 22.377 -4.800 1.00 2.50 C ATOM 6 CG MET A 1 15.137 21.881 -4.913 1.00 32.03 C ATOM 7 SD MET A 1 14.240 22.002 -3.352 1.00 51.40 S ATOM 8 CE MET A 1 12.621 21.406 -3.840 1.00 1.50 C ATOM 0 H1 MET A 1 16.807 24.108 -6.803 1.00 21.52 H new ATOM 0 H2 MET A 1 17.434 23.077 -7.998 1.00 21.52 H new ATOM 0 H3 MET A 1 15.870 22.819 -7.389 1.00 21.52 H new ATOM 0 HA MET A 1 18.417 22.562 -5.916 1.00 13.11 H new ATOM 0 HB2 MET A 1 17.077 21.821 -4.009 1.00 2.50 H new ATOM 0 HB3 MET A 1 16.562 23.424 -4.496 1.00 2.50 H new ATOM 0 HG2 MET A 1 14.615 22.460 -5.674 1.00 32.03 H new ATOM 0 HG3 MET A 1 15.139 20.844 -5.248 1.00 32.03 H new ATOM 0 HE1 MET A 1 11.953 21.422 -2.979 1.00 1.50 H new ATOM 0 HE2 MET A 1 12.218 22.047 -4.624 1.00 1.50 H new ATOM 0 HE3 MET A 1 12.706 20.386 -4.214 1.00 1.50 H new ATOM 20 N ALA A 2 16.846 20.502 -7.715 1.00 22.31 N ATOM 21 CA ALA A 2 16.736 19.135 -8.216 1.00 11.34 C ATOM 22 C ALA A 2 18.108 18.543 -8.546 1.00 74.33 C ATOM 23 O ALA A 2 18.568 18.606 -9.687 1.00 25.22 O ATOM 24 CB ALA A 2 15.818 19.089 -9.437 1.00 32.01 C ATOM 0 H ALA A 2 16.460 21.209 -8.341 1.00 22.31 H new ATOM 0 HA ALA A 2 16.299 18.524 -7.426 1.00 11.34 H new ATOM 0 HB1 ALA A 2 15.746 18.064 -9.799 1.00 32.01 H new ATOM 0 HB2 ALA A 2 14.826 19.447 -9.160 1.00 32.01 H new ATOM 0 HB3 ALA A 2 16.226 19.724 -10.223 1.00 32.01 H new ATOM 30 N HIS A 3 18.772 17.997 -7.531 1.00 62.41 N ATOM 31 CA HIS A 3 20.032 17.281 -7.721 1.00 12.35 C ATOM 32 C HIS A 3 19.822 15.806 -7.392 1.00 0.52 C ATOM 33 O HIS A 3 19.388 15.468 -6.288 1.00 35.13 O ATOM 34 CB HIS A 3 21.154 17.890 -6.854 1.00 20.51 C ATOM 35 CG HIS A 3 20.942 17.772 -5.368 1.00 73.01 C ATOM 36 ND1 HIS A 3 20.266 18.717 -4.627 1.00 51.45 N ATOM 37 CD2 HIS A 3 21.336 16.820 -4.485 1.00 33.12 C ATOM 38 CE1 HIS A 3 20.255 18.354 -3.358 1.00 61.44 C ATOM 39 NE2 HIS A 3 20.896 17.206 -3.245 1.00 15.13 N ATOM 0 H HIS A 3 18.456 18.037 -6.562 1.00 62.41 H new ATOM 0 HA HIS A 3 20.344 17.375 -8.761 1.00 12.35 H new ATOM 0 HB2 HIS A 3 22.096 17.405 -7.112 1.00 20.51 H new ATOM 0 HB3 HIS A 3 21.258 18.945 -7.109 1.00 20.51 H new ATOM 0 HD1 HIS A 3 19.840 19.565 -5.001 1.00 51.45 H new ATOM 0 HD2 HIS A 3 21.893 15.924 -4.716 1.00 33.12 H new ATOM 0 HE1 HIS A 3 19.798 18.904 -2.548 1.00 61.44 H new ATOM 48 N HIS A 4 20.096 14.936 -8.359 1.00 1.43 N ATOM 49 CA HIS A 4 19.850 13.505 -8.201 1.00 14.13 C ATOM 50 C HIS A 4 20.566 12.710 -9.295 1.00 43.23 C ATOM 51 O HIS A 4 20.068 12.577 -10.414 1.00 72.22 O ATOM 52 CB HIS A 4 18.334 13.207 -8.212 1.00 33.20 C ATOM 53 CG HIS A 4 17.624 13.608 -9.477 1.00 23.33 C ATOM 54 ND1 HIS A 4 16.696 12.804 -10.106 1.00 43.34 N ATOM 55 CD2 HIS A 4 17.696 14.741 -10.222 1.00 5.21 C ATOM 56 CE1 HIS A 4 16.234 13.418 -11.177 1.00 2.14 C ATOM 57 NE2 HIS A 4 16.823 14.594 -11.270 1.00 75.42 N ATOM 0 H HIS A 4 20.490 15.197 -9.263 1.00 1.43 H new ATOM 0 HA HIS A 4 20.251 13.194 -7.236 1.00 14.13 H new ATOM 0 HB2 HIS A 4 18.186 12.139 -8.051 1.00 33.20 H new ATOM 0 HB3 HIS A 4 17.870 13.723 -7.372 1.00 33.20 H new ATOM 0 HD2 HIS A 4 18.323 15.598 -10.026 1.00 5.21 H new ATOM 0 HE1 HIS A 4 15.498 13.025 -11.862 1.00 2.14 H new ATOM 0 HE2 HIS A 4 16.656 15.283 -12.003 1.00 75.42 H new ATOM 66 N HIS A 5 21.749 12.200 -8.972 1.00 55.24 N ATOM 67 CA HIS A 5 22.532 11.406 -9.916 1.00 52.15 C ATOM 68 C HIS A 5 23.351 10.356 -9.170 1.00 4.20 C ATOM 69 O HIS A 5 24.293 10.686 -8.450 1.00 34.12 O ATOM 70 CB HIS A 5 23.455 12.311 -10.750 1.00 54.55 C ATOM 71 CG HIS A 5 24.275 11.578 -11.773 1.00 74.22 C ATOM 72 ND1 HIS A 5 23.826 11.307 -13.049 1.00 65.35 N ATOM 73 CD2 HIS A 5 25.528 11.067 -11.706 1.00 41.31 C ATOM 74 CE1 HIS A 5 24.764 10.662 -13.718 1.00 73.10 C ATOM 75 NE2 HIS A 5 25.807 10.505 -12.926 1.00 40.32 N ATOM 0 H HIS A 5 22.190 12.322 -8.060 1.00 55.24 H new ATOM 0 HA HIS A 5 21.845 10.899 -10.594 1.00 52.15 H new ATOM 0 HB2 HIS A 5 22.848 13.061 -11.257 1.00 54.55 H new ATOM 0 HB3 HIS A 5 24.126 12.845 -10.077 1.00 54.55 H new ATOM 0 HD2 HIS A 5 26.186 11.097 -10.850 1.00 41.31 H new ATOM 0 HE1 HIS A 5 24.690 10.321 -14.740 1.00 73.10 H new ATOM 0 HE2 HIS A 5 26.679 10.041 -13.179 1.00 40.32 H new ATOM 84 N HIS A 6 22.972 9.094 -9.334 1.00 45.04 N ATOM 85 CA HIS A 6 23.694 7.981 -8.723 1.00 23.25 C ATOM 86 C HIS A 6 24.827 7.534 -9.648 1.00 11.33 C ATOM 87 O HIS A 6 25.097 8.186 -10.658 1.00 62.35 O ATOM 88 CB HIS A 6 22.733 6.810 -8.450 1.00 11.14 C ATOM 89 CG HIS A 6 21.539 7.188 -7.623 1.00 51.50 C ATOM 90 ND1 HIS A 6 20.238 7.008 -8.046 1.00 33.30 N ATOM 91 CD2 HIS A 6 21.456 7.737 -6.387 1.00 71.20 C ATOM 92 CE1 HIS A 6 19.411 7.433 -7.110 1.00 34.24 C ATOM 93 NE2 HIS A 6 20.124 7.878 -6.093 1.00 33.41 N ATOM 0 H HIS A 6 22.163 8.813 -9.889 1.00 45.04 H new ATOM 0 HA HIS A 6 24.118 8.308 -7.774 1.00 23.25 H new ATOM 0 HB2 HIS A 6 22.390 6.404 -9.402 1.00 11.14 H new ATOM 0 HB3 HIS A 6 23.279 6.015 -7.942 1.00 11.14 H new ATOM 0 HD2 HIS A 6 22.285 8.012 -5.752 1.00 71.20 H new ATOM 0 HE1 HIS A 6 18.333 7.419 -7.167 1.00 34.24 H new ATOM 0 HE2 HIS A 6 19.746 8.264 -5.228 1.00 33.41 H new ATOM 102 N HIS A 7 25.497 6.437 -9.301 1.00 43.12 N ATOM 103 CA HIS A 7 26.545 5.882 -10.154 1.00 15.04 C ATOM 104 C HIS A 7 26.665 4.371 -9.958 1.00 65.21 C ATOM 105 O HIS A 7 27.270 3.900 -8.997 1.00 35.25 O ATOM 106 CB HIS A 7 27.898 6.591 -9.925 1.00 53.14 C ATOM 107 CG HIS A 7 28.367 6.638 -8.495 1.00 15.21 C ATOM 108 ND1 HIS A 7 28.165 7.727 -7.671 1.00 64.31 N ATOM 109 CD2 HIS A 7 29.058 5.737 -7.754 1.00 53.03 C ATOM 110 CE1 HIS A 7 28.709 7.491 -6.491 1.00 3.15 C ATOM 111 NE2 HIS A 7 29.257 6.292 -6.515 1.00 44.33 N ATOM 0 H HIS A 7 25.334 5.917 -8.439 1.00 43.12 H new ATOM 0 HA HIS A 7 26.259 6.062 -11.190 1.00 15.04 H new ATOM 0 HB2 HIS A 7 28.658 6.088 -10.523 1.00 53.14 H new ATOM 0 HB3 HIS A 7 27.822 7.612 -10.299 1.00 53.14 H new ATOM 0 HD2 HIS A 7 29.390 4.762 -8.079 1.00 53.03 H new ATOM 0 HE1 HIS A 7 28.706 8.166 -5.648 1.00 3.15 H new ATOM 0 HE2 HIS A 7 29.749 5.849 -5.739 1.00 44.33 H new ATOM 120 N HIS A 8 26.061 3.619 -10.873 1.00 30.33 N ATOM 121 CA HIS A 8 26.137 2.157 -10.862 1.00 53.25 C ATOM 122 C HIS A 8 27.213 1.685 -11.838 1.00 10.41 C ATOM 123 O HIS A 8 27.129 0.591 -12.395 1.00 63.33 O ATOM 124 CB HIS A 8 24.775 1.529 -11.217 1.00 55.51 C ATOM 125 CG HIS A 8 24.272 1.858 -12.594 1.00 71.34 C ATOM 126 ND1 HIS A 8 24.685 1.192 -13.730 1.00 13.03 N ATOM 127 CD2 HIS A 8 23.375 2.782 -13.013 1.00 55.32 C ATOM 128 CE1 HIS A 8 24.067 1.694 -14.782 1.00 54.25 C ATOM 129 NE2 HIS A 8 23.267 2.658 -14.374 1.00 1.31 N ATOM 0 H HIS A 8 25.507 4.001 -11.640 1.00 30.33 H new ATOM 0 HA HIS A 8 26.402 1.833 -9.856 1.00 53.25 H new ATOM 0 HB2 HIS A 8 24.854 0.446 -11.123 1.00 55.51 H new ATOM 0 HB3 HIS A 8 24.036 1.859 -10.487 1.00 55.51 H new ATOM 0 HD1 HIS A 8 25.363 0.430 -13.753 1.00 13.03 H new ATOM 0 HD2 HIS A 8 22.843 3.486 -12.390 1.00 55.32 H new ATOM 0 HE1 HIS A 8 24.195 1.370 -15.804 1.00 54.25 H new ATOM 138 N MET A 9 28.230 2.525 -12.023 1.00 44.14 N ATOM 139 CA MET A 9 29.350 2.224 -12.921 1.00 54.31 C ATOM 140 C MET A 9 30.072 0.947 -12.485 1.00 1.20 C ATOM 141 O MET A 9 30.640 0.230 -13.308 1.00 2.44 O ATOM 142 CB MET A 9 30.344 3.398 -12.940 1.00 61.33 C ATOM 143 CG MET A 9 29.748 4.715 -13.426 1.00 42.25 C ATOM 144 SD MET A 9 30.887 6.101 -13.226 1.00 3.21 S ATOM 145 CE MET A 9 29.900 7.450 -13.874 1.00 43.21 C ATOM 0 H MET A 9 28.303 3.430 -11.558 1.00 44.14 H new ATOM 0 HA MET A 9 28.949 2.072 -13.923 1.00 54.31 H new ATOM 0 HB2 MET A 9 30.740 3.541 -11.934 1.00 61.33 H new ATOM 0 HB3 MET A 9 31.187 3.136 -13.580 1.00 61.33 H new ATOM 0 HG2 MET A 9 29.475 4.621 -14.477 1.00 42.25 H new ATOM 0 HG3 MET A 9 28.830 4.920 -12.875 1.00 42.25 H new ATOM 0 HE1 MET A 9 30.470 8.378 -13.818 1.00 43.21 H new ATOM 0 HE2 MET A 9 29.642 7.245 -14.913 1.00 43.21 H new ATOM 0 HE3 MET A 9 28.988 7.548 -13.286 1.00 43.21 H new ATOM 155 N GLY A 10 30.046 0.679 -11.181 1.00 12.31 N ATOM 156 CA GLY A 10 30.710 -0.492 -10.635 1.00 54.42 C ATOM 157 C GLY A 10 30.978 -0.342 -9.151 1.00 24.24 C ATOM 158 O GLY A 10 30.378 0.512 -8.493 1.00 15.41 O ATOM 0 H GLY A 10 29.572 1.258 -10.488 1.00 12.31 H new ATOM 0 HA2 GLY A 10 30.092 -1.374 -10.806 1.00 54.42 H new ATOM 0 HA3 GLY A 10 31.651 -0.655 -11.160 1.00 54.42 H new ATOM 162 N THR A 11 31.882 -1.161 -8.628 1.00 31.42 N ATOM 163 CA THR A 11 32.249 -1.114 -7.217 1.00 44.45 C ATOM 164 C THR A 11 33.756 -0.905 -7.066 1.00 53.54 C ATOM 165 O THR A 11 34.528 -1.209 -7.979 1.00 31.34 O ATOM 166 CB THR A 11 31.822 -2.407 -6.474 1.00 50.22 C ATOM 167 OG1 THR A 11 32.194 -2.331 -5.088 1.00 32.10 O ATOM 168 CG2 THR A 11 32.453 -3.646 -7.101 1.00 62.43 C ATOM 0 H THR A 11 32.379 -1.872 -9.165 1.00 31.42 H new ATOM 0 HA THR A 11 31.720 -0.273 -6.768 1.00 44.45 H new ATOM 0 HB THR A 11 30.739 -2.492 -6.559 1.00 50.22 H new ATOM 0 HG1 THR A 11 32.053 -1.418 -4.761 1.00 32.10 H new ATOM 0 HG21 THR A 11 32.132 -4.533 -6.555 1.00 62.43 H new ATOM 0 HG22 THR A 11 32.139 -3.727 -8.142 1.00 62.43 H new ATOM 0 HG23 THR A 11 33.539 -3.564 -7.055 1.00 62.43 H new ATOM 176 N LEU A 12 34.165 -0.390 -5.912 1.00 73.13 N ATOM 177 CA LEU A 12 35.570 -0.120 -5.632 1.00 5.11 C ATOM 178 C LEU A 12 35.784 -0.062 -4.124 1.00 53.02 C ATOM 179 O LEU A 12 35.245 0.814 -3.447 1.00 73.11 O ATOM 180 CB LEU A 12 36.014 1.198 -6.285 1.00 11.14 C ATOM 181 CG LEU A 12 37.489 1.581 -6.069 1.00 75.13 C ATOM 182 CD1 LEU A 12 38.419 0.528 -6.673 1.00 12.03 C ATOM 183 CD2 LEU A 12 37.774 2.967 -6.651 1.00 42.35 C ATOM 0 H LEU A 12 33.535 -0.149 -5.147 1.00 73.13 H new ATOM 0 HA LEU A 12 36.174 -0.924 -6.053 1.00 5.11 H new ATOM 0 HB2 LEU A 12 35.827 1.133 -7.357 1.00 11.14 H new ATOM 0 HB3 LEU A 12 35.388 2.003 -5.900 1.00 11.14 H new ATOM 0 HG LEU A 12 37.681 1.618 -4.997 1.00 75.13 H new ATOM 0 HD11 LEU A 12 39.456 0.821 -6.508 1.00 12.03 H new ATOM 0 HD12 LEU A 12 38.234 -0.436 -6.199 1.00 12.03 H new ATOM 0 HD13 LEU A 12 38.231 0.448 -7.744 1.00 12.03 H new ATOM 0 HD21 LEU A 12 38.822 3.221 -6.489 1.00 42.35 H new ATOM 0 HD22 LEU A 12 37.563 2.963 -7.720 1.00 42.35 H new ATOM 0 HD23 LEU A 12 37.141 3.705 -6.159 1.00 42.35 H new ATOM 195 N GLU A 13 36.557 -1.008 -3.607 1.00 62.41 N ATOM 196 CA GLU A 13 36.808 -1.110 -2.174 1.00 51.25 C ATOM 197 C GLU A 13 38.237 -0.682 -1.842 1.00 24.30 C ATOM 198 O GLU A 13 39.156 -0.876 -2.641 1.00 4.14 O ATOM 199 CB GLU A 13 36.576 -2.550 -1.698 1.00 60.51 C ATOM 200 CG GLU A 13 36.832 -2.755 -0.206 1.00 54.24 C ATOM 201 CD GLU A 13 36.795 -4.216 0.198 1.00 2.23 C ATOM 202 OE1 GLU A 13 37.756 -4.945 -0.125 1.00 53.43 O ATOM 203 OE2 GLU A 13 35.822 -4.639 0.850 1.00 12.44 O1- ATOM 0 H GLU A 13 37.025 -1.722 -4.164 1.00 62.41 H new ATOM 0 HA GLU A 13 36.116 -0.444 -1.659 1.00 51.25 H new ATOM 0 HB2 GLU A 13 35.549 -2.836 -1.924 1.00 60.51 H new ATOM 0 HB3 GLU A 13 37.225 -3.219 -2.264 1.00 60.51 H new ATOM 0 HG2 GLU A 13 37.804 -2.335 0.053 1.00 54.24 H new ATOM 0 HG3 GLU A 13 36.085 -2.205 0.366 1.00 54.24 H new ATOM 210 N ALA A 14 38.408 -0.104 -0.657 1.00 64.34 N ATOM 211 CA ALA A 14 39.715 0.326 -0.174 1.00 30.23 C ATOM 212 C ALA A 14 39.732 0.332 1.354 1.00 34.43 C ATOM 213 O ALA A 14 40.168 1.302 1.978 1.00 12.41 O ATOM 214 CB ALA A 14 40.054 1.709 -0.728 1.00 25.43 C ATOM 0 H ALA A 14 37.645 0.079 -0.005 1.00 64.34 H new ATOM 0 HA ALA A 14 40.473 -0.375 -0.524 1.00 30.23 H new ATOM 0 HB1 ALA A 14 41.032 2.019 -0.360 1.00 25.43 H new ATOM 0 HB2 ALA A 14 40.072 1.670 -1.817 1.00 25.43 H new ATOM 0 HB3 ALA A 14 39.300 2.426 -0.403 1.00 25.43 H new ATOM 220 N GLN A 15 39.247 -0.761 1.952 1.00 44.24 N ATOM 221 CA GLN A 15 39.189 -0.880 3.408 1.00 71.20 C ATOM 222 C GLN A 15 40.599 -0.897 4.007 1.00 60.31 C ATOM 223 O GLN A 15 41.202 -1.953 4.199 1.00 23.11 O ATOM 224 CB GLN A 15 38.390 -2.130 3.841 1.00 34.12 C ATOM 225 CG GLN A 15 38.883 -3.449 3.241 1.00 12.15 C ATOM 226 CD GLN A 15 38.271 -4.671 3.915 1.00 32.33 C ATOM 227 OE1 GLN A 15 38.814 -5.192 4.889 1.00 32.13 O ATOM 228 NE2 GLN A 15 37.143 -5.145 3.402 1.00 20.41 N ATOM 0 H GLN A 15 38.890 -1.573 1.449 1.00 44.24 H new ATOM 0 HA GLN A 15 38.664 -0.005 3.793 1.00 71.20 H new ATOM 0 HB2 GLN A 15 38.424 -2.207 4.928 1.00 34.12 H new ATOM 0 HB3 GLN A 15 37.345 -1.990 3.564 1.00 34.12 H new ATOM 0 HG2 GLN A 15 38.646 -3.470 2.177 1.00 12.15 H new ATOM 0 HG3 GLN A 15 39.969 -3.498 3.327 1.00 12.15 H new ATOM 0 HE21 GLN A 15 36.719 -4.689 2.594 1.00 20.41 H new ATOM 0 HE22 GLN A 15 36.700 -5.965 3.816 1.00 20.41 H new ATOM 237 N THR A 16 41.132 0.293 4.254 1.00 63.32 N ATOM 238 CA THR A 16 42.448 0.438 4.861 1.00 23.10 C ATOM 239 C THR A 16 42.422 -0.054 6.310 1.00 72.24 C ATOM 240 O THR A 16 43.409 -0.590 6.812 1.00 11.45 O ATOM 241 CB THR A 16 42.930 1.912 4.808 1.00 33.24 C ATOM 242 OG1 THR A 16 44.260 2.030 5.337 1.00 74.34 O ATOM 243 CG2 THR A 16 41.990 2.828 5.586 1.00 53.14 C ATOM 0 H THR A 16 40.669 1.177 4.041 1.00 63.32 H new ATOM 0 HA THR A 16 43.150 -0.170 4.291 1.00 23.10 H new ATOM 0 HB THR A 16 42.931 2.219 3.762 1.00 33.24 H new ATOM 0 HG1 THR A 16 44.547 2.966 5.294 1.00 74.34 H new ATOM 0 HG21 THR A 16 42.354 3.854 5.531 1.00 53.14 H new ATOM 0 HG22 THR A 16 40.990 2.774 5.155 1.00 53.14 H new ATOM 0 HG23 THR A 16 41.954 2.512 6.628 1.00 53.14 H new ATOM 251 N GLN A 17 41.277 0.126 6.965 1.00 54.32 N ATOM 252 CA GLN A 17 41.078 -0.324 8.339 1.00 3.45 C ATOM 253 C GLN A 17 39.710 -0.991 8.453 1.00 60.11 C ATOM 254 O GLN A 17 38.766 -0.590 7.768 1.00 31.42 O ATOM 255 CB GLN A 17 41.183 0.861 9.318 1.00 22.14 C ATOM 256 CG GLN A 17 40.983 0.476 10.782 1.00 45.55 C ATOM 257 CD GLN A 17 42.010 -0.531 11.273 1.00 61.10 C ATOM 258 OE1 GLN A 17 41.816 -1.741 11.152 1.00 73.13 O ATOM 259 NE2 GLN A 17 43.101 -0.040 11.841 1.00 30.32 N ATOM 0 H GLN A 17 40.463 0.587 6.558 1.00 54.32 H new ATOM 0 HA GLN A 17 41.855 -1.043 8.599 1.00 3.45 H new ATOM 0 HB2 GLN A 17 42.162 1.326 9.206 1.00 22.14 H new ATOM 0 HB3 GLN A 17 40.441 1.611 9.045 1.00 22.14 H new ATOM 0 HG2 GLN A 17 41.037 1.373 11.399 1.00 45.55 H new ATOM 0 HG3 GLN A 17 39.984 0.060 10.910 1.00 45.55 H new ATOM 0 HE21 GLN A 17 43.224 0.969 11.922 1.00 30.32 H new ATOM 0 HE22 GLN A 17 43.819 -0.671 12.198 1.00 30.32 H new ATOM 268 N GLY A 18 39.606 -2.006 9.307 1.00 72.22 N ATOM 269 CA GLY A 18 38.356 -2.732 9.453 1.00 55.13 C ATOM 270 C GLY A 18 38.202 -3.347 10.832 1.00 64.22 C ATOM 271 O GLY A 18 37.544 -2.764 11.701 1.00 30.12 O ATOM 0 H GLY A 18 40.366 -2.339 9.901 1.00 72.22 H new ATOM 0 HA2 GLY A 18 37.522 -2.056 9.264 1.00 55.13 H new ATOM 0 HA3 GLY A 18 38.305 -3.518 8.700 1.00 55.13 H new ATOM 275 N PRO A 19 38.834 -4.509 11.080 1.00 61.33 N ATOM 276 CA PRO A 19 38.675 -5.251 12.338 1.00 31.03 C ATOM 277 C PRO A 19 39.159 -4.450 13.546 1.00 73.22 C ATOM 278 O PRO A 19 40.362 -4.356 13.806 1.00 64.32 O ATOM 279 CB PRO A 19 39.539 -6.507 12.127 1.00 42.22 C ATOM 280 CG PRO A 19 40.529 -6.097 11.094 1.00 30.32 C ATOM 281 CD PRO A 19 39.776 -5.185 10.166 1.00 12.32 C ATOM 0 HA PRO A 19 37.630 -5.477 12.553 1.00 31.03 H new ATOM 0 HB2 PRO A 19 40.030 -6.813 13.051 1.00 42.22 H new ATOM 0 HB3 PRO A 19 38.938 -7.352 11.790 1.00 42.22 H new ATOM 0 HG2 PRO A 19 41.379 -5.585 11.545 1.00 30.32 H new ATOM 0 HG3 PRO A 19 40.924 -6.962 10.561 1.00 30.32 H new ATOM 0 HD2 PRO A 19 40.438 -4.476 9.668 1.00 12.32 H new ATOM 0 HD3 PRO A 19 39.256 -5.740 9.385 1.00 12.32 H new ATOM 289 N GLY A 20 38.215 -3.852 14.260 1.00 14.03 N ATOM 290 CA GLY A 20 38.540 -3.100 15.457 1.00 23.20 C ATOM 291 C GLY A 20 38.010 -1.678 15.414 1.00 44.31 C ATOM 292 O GLY A 20 37.877 -1.024 16.452 1.00 71.45 O ATOM 0 H GLY A 20 37.222 -3.875 14.029 1.00 14.03 H new ATOM 0 HA2 GLY A 20 38.127 -3.612 16.326 1.00 23.20 H new ATOM 0 HA3 GLY A 20 39.622 -3.077 15.585 1.00 23.20 H new ATOM 296 N SER A 21 37.702 -1.192 14.214 1.00 25.11 N ATOM 297 CA SER A 21 37.240 0.182 14.043 1.00 40.32 C ATOM 298 C SER A 21 35.722 0.282 14.223 1.00 44.21 C ATOM 299 O SER A 21 35.234 0.758 15.251 1.00 3.03 O ATOM 300 CB SER A 21 37.650 0.708 12.661 1.00 64.02 C ATOM 301 OG SER A 21 37.125 -0.111 11.625 1.00 4.12 O ATOM 0 H SER A 21 37.764 -1.728 13.348 1.00 25.11 H new ATOM 0 HA SER A 21 37.710 0.797 14.811 1.00 40.32 H new ATOM 0 HB2 SER A 21 37.293 1.730 12.537 1.00 64.02 H new ATOM 0 HB3 SER A 21 38.737 0.739 12.588 1.00 64.02 H new ATOM 0 HG SER A 21 37.586 -0.976 11.626 1.00 4.12 H new ATOM 307 N MET A 22 34.987 -0.196 13.224 1.00 43.05 N ATOM 308 CA MET A 22 33.528 -0.083 13.198 1.00 51.12 C ATOM 309 C MET A 22 32.955 -0.863 12.016 1.00 73.25 C ATOM 310 O MET A 22 31.832 -1.369 12.079 1.00 62.55 O ATOM 311 CB MET A 22 33.090 1.394 13.121 1.00 23.43 C ATOM 312 CG MET A 22 33.636 2.147 11.911 1.00 33.12 C ATOM 313 SD MET A 22 33.117 3.876 11.864 1.00 23.33 S ATOM 314 CE MET A 22 33.819 4.495 13.393 1.00 34.23 C ATOM 0 H MET A 22 35.381 -0.671 12.412 1.00 43.05 H new ATOM 0 HA MET A 22 33.140 -0.508 14.124 1.00 51.12 H new ATOM 0 HB2 MET A 22 32.001 1.438 13.101 1.00 23.43 H new ATOM 0 HB3 MET A 22 33.413 1.905 14.028 1.00 23.43 H new ATOM 0 HG2 MET A 22 34.725 2.100 11.922 1.00 33.12 H new ATOM 0 HG3 MET A 22 33.305 1.649 11.000 1.00 33.12 H new ATOM 0 HE1 MET A 22 34.241 5.486 13.225 1.00 34.23 H new ATOM 0 HE2 MET A 22 33.040 4.557 14.152 1.00 34.23 H new ATOM 0 HE3 MET A 22 34.604 3.819 13.733 1.00 34.23 H new ATOM 324 N ILE A 23 33.732 -0.939 10.934 1.00 42.44 N ATOM 325 CA ILE A 23 33.347 -1.698 9.750 1.00 1.10 C ATOM 326 C ILE A 23 34.143 -3.006 9.677 1.00 42.43 C ATOM 327 O ILE A 23 35.305 -3.020 9.275 1.00 24.42 O ATOM 328 CB ILE A 23 33.565 -0.866 8.459 1.00 74.40 C ATOM 329 CG1 ILE A 23 32.780 0.457 8.544 1.00 60.24 C ATOM 330 CG2 ILE A 23 33.150 -1.665 7.223 1.00 61.41 C ATOM 331 CD1 ILE A 23 32.953 1.366 7.343 1.00 31.13 C ATOM 0 H ILE A 23 34.639 -0.479 10.857 1.00 42.44 H new ATOM 0 HA ILE A 23 32.285 -1.932 9.828 1.00 1.10 H new ATOM 0 HB ILE A 23 34.626 -0.635 8.368 1.00 74.40 H new ATOM 0 HG12 ILE A 23 31.721 0.230 8.663 1.00 60.24 H new ATOM 0 HG13 ILE A 23 33.093 0.994 9.439 1.00 60.24 H new ATOM 0 HG21 ILE A 23 33.311 -1.062 6.329 1.00 61.41 H new ATOM 0 HG22 ILE A 23 33.747 -2.574 7.160 1.00 61.41 H new ATOM 0 HG23 ILE A 23 32.095 -1.928 7.297 1.00 61.41 H new ATOM 0 HD11 ILE A 23 32.367 2.274 7.486 1.00 31.13 H new ATOM 0 HD12 ILE A 23 34.005 1.628 7.233 1.00 31.13 H new ATOM 0 HD13 ILE A 23 32.612 0.851 6.445 1.00 31.13 H new ATOM 343 N GLU A 24 33.511 -4.091 10.101 1.00 53.10 N ATOM 344 CA GLU A 24 34.124 -5.416 10.111 1.00 62.31 C ATOM 345 C GLU A 24 33.625 -6.224 8.912 1.00 4.33 C ATOM 346 O GLU A 24 32.551 -5.949 8.385 1.00 70.25 O ATOM 347 CB GLU A 24 33.758 -6.126 11.424 1.00 41.52 C ATOM 348 CG GLU A 24 34.265 -7.558 11.540 1.00 71.41 C ATOM 349 CD GLU A 24 35.778 -7.644 11.569 1.00 33.32 C ATOM 350 OE1 GLU A 24 36.386 -7.949 10.519 1.00 62.50 O ATOM 351 OE2 GLU A 24 36.363 -7.421 12.648 1.00 22.21 O1- ATOM 0 H GLU A 24 32.553 -4.079 10.450 1.00 53.10 H new ATOM 0 HA GLU A 24 35.208 -5.325 10.041 1.00 62.31 H new ATOM 0 HB2 GLU A 24 34.156 -5.546 12.257 1.00 41.52 H new ATOM 0 HB3 GLU A 24 32.673 -6.130 11.528 1.00 41.52 H new ATOM 0 HG2 GLU A 24 33.862 -8.009 12.447 1.00 71.41 H new ATOM 0 HG3 GLU A 24 33.888 -8.141 10.700 1.00 71.41 H new ATOM 358 N GLN A 25 34.403 -7.206 8.468 1.00 21.21 N ATOM 359 CA GLN A 25 33.978 -8.080 7.375 1.00 65.14 C ATOM 360 C GLN A 25 33.614 -9.460 7.920 1.00 34.31 C ATOM 361 O GLN A 25 34.338 -10.025 8.744 1.00 40.55 O ATOM 362 CB GLN A 25 35.064 -8.193 6.297 1.00 20.11 C ATOM 363 CG GLN A 25 36.410 -8.701 6.804 1.00 45.22 C ATOM 364 CD GLN A 25 37.408 -8.922 5.679 1.00 35.21 C ATOM 365 OE1 GLN A 25 37.357 -8.254 4.645 1.00 63.30 O ATOM 366 NE2 GLN A 25 38.327 -9.856 5.869 1.00 31.15 N ATOM 0 H GLN A 25 35.327 -7.418 8.845 1.00 21.21 H new ATOM 0 HA GLN A 25 33.096 -7.640 6.909 1.00 65.14 H new ATOM 0 HB2 GLN A 25 34.710 -8.861 5.512 1.00 20.11 H new ATOM 0 HB3 GLN A 25 35.208 -7.214 5.841 1.00 20.11 H new ATOM 0 HG2 GLN A 25 36.821 -7.984 7.515 1.00 45.22 H new ATOM 0 HG3 GLN A 25 36.262 -9.636 7.344 1.00 45.22 H new ATOM 0 HE21 GLN A 25 38.339 -10.390 6.738 1.00 31.15 H new ATOM 0 HE22 GLN A 25 39.023 -10.041 5.146 1.00 31.15 H new ATOM 375 N ILE A 26 32.485 -9.999 7.464 1.00 33.33 N ATOM 376 CA ILE A 26 31.974 -11.272 7.972 1.00 10.34 C ATOM 377 C ILE A 26 31.649 -12.231 6.828 1.00 31.30 C ATOM 378 O ILE A 26 31.409 -11.808 5.693 1.00 14.14 O ATOM 379 CB ILE A 26 30.706 -11.067 8.839 1.00 64.23 C ATOM 380 CG1 ILE A 26 29.542 -10.525 7.991 1.00 33.04 C ATOM 381 CG2 ILE A 26 31.003 -10.118 10.000 1.00 3.40 C ATOM 382 CD1 ILE A 26 28.255 -10.354 8.768 1.00 13.42 C ATOM 0 H ILE A 26 31.905 -9.573 6.741 1.00 33.33 H new ATOM 0 HA ILE A 26 32.760 -11.704 8.591 1.00 10.34 H new ATOM 0 HB ILE A 26 30.411 -12.035 9.243 1.00 64.23 H new ATOM 0 HG12 ILE A 26 29.830 -9.564 7.566 1.00 33.04 H new ATOM 0 HG13 ILE A 26 29.365 -11.203 7.156 1.00 33.04 H new ATOM 0 HG21 ILE A 26 30.103 -9.984 10.600 1.00 3.40 H new ATOM 0 HG22 ILE A 26 31.793 -10.539 10.621 1.00 3.40 H new ATOM 0 HG23 ILE A 26 31.325 -9.153 9.608 1.00 3.40 H new ATOM 0 HD11 ILE A 26 27.479 -9.969 8.107 1.00 13.42 H new ATOM 0 HD12 ILE A 26 27.943 -11.317 9.171 1.00 13.42 H new ATOM 0 HD13 ILE A 26 28.415 -9.653 9.587 1.00 13.42 H new ATOM 394 N GLY A 27 31.639 -13.523 7.138 1.00 12.23 N ATOM 395 CA GLY A 27 31.361 -14.538 6.138 1.00 12.32 C ATOM 396 C GLY A 27 29.984 -15.151 6.308 1.00 13.31 C ATOM 397 O GLY A 27 29.187 -14.685 7.121 1.00 3.52 O ATOM 0 H GLY A 27 31.820 -13.888 8.073 1.00 12.23 H new ATOM 0 HA2 GLY A 27 31.440 -14.097 5.144 1.00 12.32 H new ATOM 0 HA3 GLY A 27 32.116 -15.322 6.200 1.00 12.32 H new ATOM 401 N ASP A 28 29.719 -16.208 5.546 1.00 15.54 N ATOM 402 CA ASP A 28 28.406 -16.859 5.531 1.00 73.01 C ATOM 403 C ASP A 28 28.091 -17.563 6.857 1.00 71.42 C ATOM 404 O ASP A 28 27.034 -17.340 7.454 1.00 73.33 O ATOM 405 CB ASP A 28 28.349 -17.866 4.369 1.00 1.14 C ATOM 406 CG ASP A 28 27.113 -18.758 4.392 1.00 3.43 C ATOM 407 OD1 ASP A 28 27.258 -19.983 4.173 1.00 72.25 O ATOM 408 OD2 ASP A 28 25.999 -18.248 4.625 1.00 23.12 O1- ATOM 0 H ASP A 28 30.402 -16.638 4.923 1.00 15.54 H new ATOM 0 HA ASP A 28 27.651 -16.085 5.393 1.00 73.01 H new ATOM 0 HB2 ASP A 28 28.375 -17.321 3.426 1.00 1.14 H new ATOM 0 HB3 ASP A 28 29.240 -18.493 4.399 1.00 1.14 H new ATOM 413 N SER A 29 29.027 -18.381 7.327 1.00 64.12 N ATOM 414 CA SER A 29 28.786 -19.257 8.476 1.00 12.10 C ATOM 415 C SER A 29 28.745 -18.486 9.801 1.00 52.44 C ATOM 416 O SER A 29 28.347 -19.032 10.835 1.00 23.51 O ATOM 417 CB SER A 29 29.854 -20.359 8.520 1.00 53.55 C ATOM 418 OG SER A 29 31.164 -19.830 8.327 1.00 62.01 O ATOM 0 H SER A 29 29.964 -18.458 6.931 1.00 64.12 H new ATOM 0 HA SER A 29 27.802 -19.709 8.348 1.00 12.10 H new ATOM 0 HB2 SER A 29 29.807 -20.874 9.480 1.00 53.55 H new ATOM 0 HB3 SER A 29 29.644 -21.101 7.750 1.00 53.55 H new ATOM 0 HG SER A 29 31.140 -18.855 8.421 1.00 62.01 H new ATOM 424 N GLU A 30 29.165 -17.227 9.771 1.00 71.55 N ATOM 425 CA GLU A 30 29.152 -16.381 10.962 1.00 44.40 C ATOM 426 C GLU A 30 28.217 -15.186 10.777 1.00 14.02 C ATOM 427 O GLU A 30 27.957 -14.441 11.731 1.00 43.04 O ATOM 428 CB GLU A 30 30.576 -15.914 11.333 1.00 12.31 C ATOM 429 CG GLU A 30 31.441 -15.479 10.150 1.00 24.54 C ATOM 430 CD GLU A 30 31.977 -16.658 9.347 1.00 25.04 C ATOM 431 OE1 GLU A 30 32.956 -17.291 9.793 1.00 30.22 O ATOM 432 OE2 GLU A 30 31.416 -16.961 8.275 1.00 52.32 O1- ATOM 0 H GLU A 30 29.520 -16.767 8.933 1.00 71.55 H new ATOM 0 HA GLU A 30 28.772 -16.981 11.789 1.00 44.40 H new ATOM 0 HB2 GLU A 30 30.499 -15.082 12.033 1.00 12.31 H new ATOM 0 HB3 GLU A 30 31.083 -16.724 11.856 1.00 12.31 H new ATOM 0 HG2 GLU A 30 30.855 -14.835 9.494 1.00 24.54 H new ATOM 0 HG3 GLU A 30 32.278 -14.884 10.517 1.00 24.54 H new ATOM 439 N PHE A 31 27.691 -15.028 9.556 1.00 42.45 N ATOM 440 CA PHE A 31 26.770 -13.937 9.241 1.00 62.52 C ATOM 441 C PHE A 31 25.627 -13.900 10.251 1.00 32.30 C ATOM 442 O PHE A 31 25.576 -13.024 11.112 1.00 22.34 O ATOM 443 CB PHE A 31 26.215 -14.097 7.811 1.00 33.41 C ATOM 444 CG PHE A 31 25.204 -13.044 7.421 1.00 65.21 C ATOM 445 CD1 PHE A 31 25.613 -11.774 7.034 1.00 13.11 C ATOM 446 CD2 PHE A 31 23.844 -13.325 7.439 1.00 32.11 C ATOM 447 CE1 PHE A 31 24.688 -10.810 6.678 1.00 34.21 C ATOM 448 CE2 PHE A 31 22.917 -12.364 7.082 1.00 24.31 C ATOM 449 CZ PHE A 31 23.339 -11.105 6.702 1.00 25.34 C ATOM 0 H PHE A 31 27.891 -15.646 8.770 1.00 42.45 H new ATOM 0 HA PHE A 31 27.316 -12.995 9.298 1.00 62.52 H new ATOM 0 HB2 PHE A 31 27.045 -14.068 7.105 1.00 33.41 H new ATOM 0 HB3 PHE A 31 25.753 -15.080 7.720 1.00 33.41 H new ATOM 0 HD1 PHE A 31 26.666 -11.537 7.011 1.00 13.11 H new ATOM 0 HD2 PHE A 31 23.506 -14.307 7.736 1.00 32.11 H new ATOM 0 HE1 PHE A 31 25.020 -9.826 6.381 1.00 34.21 H new ATOM 0 HE2 PHE A 31 21.863 -12.598 7.100 1.00 24.31 H new ATOM 0 HZ PHE A 31 22.616 -10.353 6.424 1.00 25.34 H new ATOM 459 N ASP A 32 24.748 -14.888 10.176 1.00 61.31 N ATOM 460 CA ASP A 32 23.603 -14.973 11.076 1.00 45.50 C ATOM 461 C ASP A 32 24.088 -15.124 12.516 1.00 14.21 C ATOM 462 O ASP A 32 23.514 -14.551 13.446 1.00 52.23 O ATOM 463 CB ASP A 32 22.705 -16.160 10.683 1.00 71.43 C ATOM 464 CG ASP A 32 23.380 -17.508 10.896 1.00 33.32 C ATOM 465 OD1 ASP A 32 24.526 -17.682 10.431 1.00 30.35 O ATOM 466 OD2 ASP A 32 22.761 -18.403 11.516 1.00 10.25 O1- ATOM 0 H ASP A 32 24.805 -15.647 9.497 1.00 61.31 H new ATOM 0 HA ASP A 32 23.017 -14.057 10.996 1.00 45.50 H new ATOM 0 HB2 ASP A 32 21.786 -16.123 11.268 1.00 71.43 H new ATOM 0 HB3 ASP A 32 22.421 -16.063 9.635 1.00 71.43 H new ATOM 471 N ASN A 33 25.199 -15.846 12.666 1.00 42.11 N ATOM 472 CA ASN A 33 25.766 -16.168 13.975 1.00 40.13 C ATOM 473 C ASN A 33 25.945 -14.920 14.830 1.00 54.13 C ATOM 474 O ASN A 33 25.570 -14.901 16.003 1.00 63.41 O ATOM 475 CB ASN A 33 27.124 -16.864 13.806 1.00 53.12 C ATOM 476 CG ASN A 33 27.734 -17.299 15.130 1.00 53.42 C ATOM 477 OD1 ASN A 33 27.485 -18.405 15.605 1.00 25.11 O ATOM 478 ND2 ASN A 33 28.547 -16.438 15.729 1.00 4.52 N ATOM 0 H ASN A 33 25.731 -16.224 11.882 1.00 42.11 H new ATOM 0 HA ASN A 33 25.067 -16.835 14.480 1.00 40.13 H new ATOM 0 HB2 ASN A 33 27.002 -17.736 13.164 1.00 53.12 H new ATOM 0 HB3 ASN A 33 27.813 -16.188 13.299 1.00 53.12 H new ATOM 0 HD21 ASN A 33 28.989 -16.685 16.614 1.00 4.52 H new ATOM 0 HD22 ASN A 33 28.730 -15.529 15.304 1.00 4.52 H new ATOM 485 N LYS A 34 26.526 -13.879 14.246 1.00 13.43 N ATOM 486 CA LYS A 34 26.802 -12.654 14.994 1.00 32.34 C ATOM 487 C LYS A 34 25.787 -11.550 14.681 1.00 25.21 C ATOM 488 O LYS A 34 25.657 -10.595 15.445 1.00 32.11 O ATOM 489 CB LYS A 34 28.230 -12.179 14.706 1.00 44.33 C ATOM 490 CG LYS A 34 28.477 -11.784 13.252 1.00 53.44 C ATOM 491 CD LYS A 34 29.965 -11.790 12.892 1.00 44.33 C ATOM 492 CE LYS A 34 30.775 -10.732 13.650 1.00 41.23 C ATOM 493 NZ LYS A 34 30.951 -11.061 15.091 1.00 33.12 N1+ ATOM 0 H LYS A 34 26.813 -13.855 13.268 1.00 13.43 H new ATOM 0 HA LYS A 34 26.707 -12.880 16.056 1.00 32.34 H new ATOM 0 HB2 LYS A 34 28.453 -11.325 15.346 1.00 44.33 H new ATOM 0 HB3 LYS A 34 28.927 -12.972 14.979 1.00 44.33 H new ATOM 0 HG2 LYS A 34 27.944 -12.472 12.596 1.00 53.44 H new ATOM 0 HG3 LYS A 34 28.066 -10.790 13.073 1.00 53.44 H new ATOM 0 HD2 LYS A 34 30.379 -12.776 13.104 1.00 44.33 H new ATOM 0 HD3 LYS A 34 30.073 -11.622 11.820 1.00 44.33 H new ATOM 0 HE2 LYS A 34 31.755 -10.629 13.184 1.00 41.23 H new ATOM 0 HE3 LYS A 34 30.276 -9.767 13.561 1.00 41.23 H new ATOM 0 HZ1 LYS A 34 31.922 -10.831 15.384 1.00 33.12 H new ATOM 0 HZ2 LYS A 34 30.278 -10.507 15.658 1.00 33.12 H new ATOM 0 HZ3 LYS A 34 30.776 -12.075 15.239 1.00 33.12 H new ATOM 507 N VAL A 35 25.069 -11.680 13.563 1.00 43.11 N ATOM 508 CA VAL A 35 24.080 -10.672 13.163 1.00 23.23 C ATOM 509 C VAL A 35 22.699 -10.954 13.765 1.00 61.52 C ATOM 510 O VAL A 35 22.167 -10.135 14.516 1.00 23.13 O ATOM 511 CB VAL A 35 23.968 -10.549 11.618 1.00 54.43 C ATOM 512 CG1 VAL A 35 22.816 -9.623 11.224 1.00 13.53 C ATOM 513 CG2 VAL A 35 25.286 -10.045 11.024 1.00 61.22 C ATOM 0 H VAL A 35 25.152 -12.468 12.921 1.00 43.11 H new ATOM 0 HA VAL A 35 24.439 -9.722 13.558 1.00 23.23 H new ATOM 0 HB VAL A 35 23.760 -11.540 11.214 1.00 54.43 H new ATOM 0 HG11 VAL A 35 22.760 -9.554 10.138 1.00 13.53 H new ATOM 0 HG12 VAL A 35 21.879 -10.023 11.611 1.00 13.53 H new ATOM 0 HG13 VAL A 35 22.987 -8.631 11.642 1.00 13.53 H new ATOM 0 HG21 VAL A 35 25.190 -9.965 9.941 1.00 61.22 H new ATOM 0 HG22 VAL A 35 25.522 -9.066 11.441 1.00 61.22 H new ATOM 0 HG23 VAL A 35 26.086 -10.745 11.266 1.00 61.22 H new ATOM 523 N THR A 36 22.121 -12.115 13.457 1.00 2.50 N ATOM 524 CA THR A 36 20.740 -12.400 13.850 1.00 74.43 C ATOM 525 C THR A 36 20.655 -12.786 15.324 1.00 40.30 C ATOM 526 O THR A 36 19.679 -12.470 16.003 1.00 4.41 O ATOM 527 CB THR A 36 20.112 -13.511 12.973 1.00 13.42 C ATOM 528 OG1 THR A 36 20.963 -14.662 12.953 1.00 45.52 O ATOM 529 CG2 THR A 36 19.889 -13.023 11.545 1.00 0.42 C ATOM 0 H THR A 36 22.581 -12.866 12.942 1.00 2.50 H new ATOM 0 HA THR A 36 20.170 -11.484 13.695 1.00 74.43 H new ATOM 0 HB THR A 36 19.147 -13.775 13.407 1.00 13.42 H new ATOM 0 HG1 THR A 36 21.759 -14.490 13.498 1.00 45.52 H new ATOM 0 HG21 THR A 36 19.447 -13.824 10.952 1.00 0.42 H new ATOM 0 HG22 THR A 36 19.217 -12.165 11.555 1.00 0.42 H new ATOM 0 HG23 THR A 36 20.844 -12.731 11.107 1.00 0.42 H new ATOM 537 N SER A 37 21.693 -13.448 15.818 1.00 73.22 N ATOM 538 CA SER A 37 21.742 -13.874 17.214 1.00 23.41 C ATOM 539 C SER A 37 22.257 -12.748 18.125 1.00 53.15 C ATOM 540 O SER A 37 22.559 -12.977 19.300 1.00 32.53 O ATOM 541 CB SER A 37 22.627 -15.120 17.335 1.00 53.32 C ATOM 542 OG SER A 37 22.144 -16.168 16.505 1.00 0.42 O ATOM 0 H SER A 37 22.516 -13.703 15.272 1.00 73.22 H new ATOM 0 HA SER A 37 20.731 -14.117 17.541 1.00 23.41 H new ATOM 0 HB2 SER A 37 23.651 -14.872 17.056 1.00 53.32 H new ATOM 0 HB3 SER A 37 22.652 -15.454 18.372 1.00 53.32 H new ATOM 0 HG SER A 37 22.725 -16.952 16.597 1.00 0.42 H new ATOM 548 N CYS A 38 22.340 -11.528 17.586 1.00 5.23 N ATOM 549 CA CYS A 38 22.791 -10.378 18.363 1.00 34.52 C ATOM 550 C CYS A 38 21.685 -9.909 19.309 1.00 23.12 C ATOM 551 O CYS A 38 20.724 -9.261 18.887 1.00 3.10 O ATOM 552 CB CYS A 38 23.213 -9.227 17.441 1.00 14.23 C ATOM 553 SG CYS A 38 23.753 -7.743 18.322 1.00 60.13 S ATOM 0 H CYS A 38 22.101 -11.315 16.618 1.00 5.23 H new ATOM 0 HA CYS A 38 23.656 -10.685 18.951 1.00 34.52 H new ATOM 0 HB2 CYS A 38 24.022 -9.569 16.796 1.00 14.23 H new ATOM 0 HB3 CYS A 38 22.376 -8.968 16.793 1.00 14.23 H new ATOM 0 HG CYS A 38 22.830 -7.377 19.161 1.00 60.13 H new ATOM 559 N ASN A 39 21.823 -10.247 20.588 1.00 61.33 N ATOM 560 CA ASN A 39 20.826 -9.893 21.602 1.00 41.42 C ATOM 561 C ASN A 39 21.320 -8.710 22.445 1.00 2.35 C ATOM 562 O ASN A 39 20.738 -8.377 23.477 1.00 33.11 O ATOM 563 CB ASN A 39 20.535 -11.110 22.501 1.00 25.54 C ATOM 564 CG ASN A 39 19.321 -10.910 23.398 1.00 43.42 C ATOM 565 OD1 ASN A 39 18.376 -10.209 23.037 1.00 70.23 O ATOM 566 ND2 ASN A 39 19.331 -11.529 24.568 1.00 62.21 N ATOM 0 H ASN A 39 22.620 -10.769 20.952 1.00 61.33 H new ATOM 0 HA ASN A 39 19.904 -9.598 21.102 1.00 41.42 H new ATOM 0 HB2 ASN A 39 20.376 -11.988 21.875 1.00 25.54 H new ATOM 0 HB3 ASN A 39 21.408 -11.314 23.121 1.00 25.54 H new ATOM 0 HD21 ASN A 39 18.538 -11.433 25.203 1.00 62.21 H new ATOM 0 HD22 ASN A 39 20.131 -12.102 24.835 1.00 62.21 H new ATOM 573 N ASP A 40 22.388 -8.063 21.978 1.00 33.05 N ATOM 574 CA ASP A 40 22.994 -6.933 22.694 1.00 40.51 C ATOM 575 C ASP A 40 22.238 -5.633 22.419 1.00 63.24 C ATOM 576 O ASP A 40 22.611 -4.571 22.919 1.00 11.15 O ATOM 577 CB ASP A 40 24.466 -6.771 22.288 1.00 33.11 C ATOM 578 CG ASP A 40 25.317 -7.972 22.669 1.00 30.05 C ATOM 579 OD1 ASP A 40 25.782 -8.037 23.825 1.00 21.23 O ATOM 580 OD2 ASP A 40 25.510 -8.867 21.818 1.00 41.30 O1- ATOM 0 H ASP A 40 22.855 -8.301 21.103 1.00 33.05 H new ATOM 0 HA ASP A 40 22.935 -7.147 23.761 1.00 40.51 H new ATOM 0 HB2 ASP A 40 24.526 -6.616 21.211 1.00 33.11 H new ATOM 0 HB3 ASP A 40 24.873 -5.878 22.762 1.00 33.11 H new ATOM 585 N ASN A 41 21.166 -5.731 21.630 1.00 41.33 N ATOM 586 CA ASN A 41 20.354 -4.573 21.237 1.00 21.34 C ATOM 587 C ASN A 41 21.167 -3.515 20.488 1.00 71.21 C ATOM 588 O ASN A 41 20.695 -2.394 20.284 1.00 15.34 O ATOM 589 CB ASN A 41 19.665 -3.953 22.461 1.00 64.12 C ATOM 590 CG ASN A 41 18.588 -4.858 23.032 1.00 32.33 C ATOM 591 OD1 ASN A 41 18.659 -6.084 22.921 1.00 62.31 O ATOM 592 ND2 ASN A 41 17.586 -4.262 23.647 1.00 50.02 N ATOM 0 H ASN A 41 20.835 -6.615 21.244 1.00 41.33 H new ATOM 0 HA ASN A 41 19.593 -4.940 20.548 1.00 21.34 H new ATOM 0 HB2 ASN A 41 20.410 -3.747 23.230 1.00 64.12 H new ATOM 0 HB3 ASN A 41 19.223 -2.997 22.182 1.00 64.12 H new ATOM 0 HD21 ASN A 41 16.833 -4.818 24.052 1.00 50.02 H new ATOM 0 HD22 ASN A 41 17.564 -3.245 23.718 1.00 50.02 H new ATOM 599 N ILE A 42 22.370 -3.872 20.054 1.00 2.20 N ATOM 600 CA ILE A 42 23.192 -2.964 19.262 1.00 64.41 C ATOM 601 C ILE A 42 22.694 -2.968 17.814 1.00 40.13 C ATOM 602 O ILE A 42 22.096 -3.949 17.368 1.00 21.44 O ATOM 603 CB ILE A 42 24.695 -3.359 19.326 1.00 74.52 C ATOM 604 CG1 ILE A 42 25.578 -2.199 18.835 1.00 2.42 C ATOM 605 CG2 ILE A 42 24.964 -4.630 18.518 1.00 51.44 C ATOM 606 CD1 ILE A 42 27.064 -2.492 18.870 1.00 34.23 C ATOM 0 H ILE A 42 22.797 -4.780 20.236 1.00 2.20 H new ATOM 0 HA ILE A 42 23.103 -1.959 19.675 1.00 64.41 H new ATOM 0 HB ILE A 42 24.948 -3.566 20.366 1.00 74.52 H new ATOM 0 HG12 ILE A 42 25.293 -1.947 17.814 1.00 2.42 H new ATOM 0 HG13 ILE A 42 25.378 -1.320 19.448 1.00 2.42 H new ATOM 0 HG21 ILE A 42 26.022 -4.883 18.580 1.00 51.44 H new ATOM 0 HG22 ILE A 42 24.370 -5.450 18.922 1.00 51.44 H new ATOM 0 HG23 ILE A 42 24.691 -4.463 17.476 1.00 51.44 H new ATOM 0 HD11 ILE A 42 27.615 -1.624 18.508 1.00 34.23 H new ATOM 0 HD12 ILE A 42 27.367 -2.713 19.893 1.00 34.23 H new ATOM 0 HD13 ILE A 42 27.281 -3.350 18.234 1.00 34.23 H new ATOM 618 N LEU A 43 22.907 -1.875 17.088 1.00 74.32 N ATOM 619 CA LEU A 43 22.419 -1.771 15.716 1.00 23.53 C ATOM 620 C LEU A 43 23.501 -2.212 14.730 1.00 51.23 C ATOM 621 O LEU A 43 24.540 -1.560 14.584 1.00 62.43 O ATOM 622 CB LEU A 43 21.951 -0.338 15.420 1.00 54.15 C ATOM 623 CG LEU A 43 21.349 -0.105 14.025 1.00 41.50 C ATOM 624 CD1 LEU A 43 20.094 -0.950 13.830 1.00 2.12 C ATOM 625 CD2 LEU A 43 21.039 1.377 13.818 1.00 13.42 C ATOM 0 H LEU A 43 23.411 -1.054 17.423 1.00 74.32 H new ATOM 0 HA LEU A 43 21.563 -2.436 15.597 1.00 23.53 H new ATOM 0 HB2 LEU A 43 21.208 -0.057 16.167 1.00 54.15 H new ATOM 0 HB3 LEU A 43 22.800 0.334 15.546 1.00 54.15 H new ATOM 0 HG LEU A 43 22.083 -0.411 13.279 1.00 41.50 H new ATOM 0 HD11 LEU A 43 19.685 -0.769 12.836 1.00 2.12 H new ATOM 0 HD12 LEU A 43 20.346 -2.005 13.932 1.00 2.12 H new ATOM 0 HD13 LEU A 43 19.353 -0.680 14.582 1.00 2.12 H new ATOM 0 HD21 LEU A 43 20.613 1.525 12.825 1.00 13.42 H new ATOM 0 HD22 LEU A 43 20.325 1.708 14.572 1.00 13.42 H new ATOM 0 HD23 LEU A 43 21.957 1.957 13.909 1.00 13.42 H new ATOM 637 N ILE A 44 23.256 -3.341 14.082 1.00 52.44 N ATOM 638 CA ILE A 44 24.171 -3.900 13.095 1.00 50.43 C ATOM 639 C ILE A 44 23.747 -3.495 11.686 1.00 75.21 C ATOM 640 O ILE A 44 22.585 -3.653 11.314 1.00 1.13 O ATOM 641 CB ILE A 44 24.204 -5.444 13.196 1.00 65.42 C ATOM 642 CG1 ILE A 44 24.807 -5.872 14.546 1.00 51.44 C ATOM 643 CG2 ILE A 44 24.982 -6.053 12.030 1.00 54.14 C ATOM 644 CD1 ILE A 44 24.838 -7.370 14.759 1.00 75.35 C ATOM 0 H ILE A 44 22.414 -3.898 14.226 1.00 52.44 H new ATOM 0 HA ILE A 44 25.167 -3.507 13.299 1.00 50.43 H new ATOM 0 HB ILE A 44 23.181 -5.817 13.139 1.00 65.42 H new ATOM 0 HG12 ILE A 44 25.823 -5.484 14.618 1.00 51.44 H new ATOM 0 HG13 ILE A 44 24.233 -5.413 15.351 1.00 51.44 H new ATOM 0 HG21 ILE A 44 24.990 -7.139 12.125 1.00 54.14 H new ATOM 0 HG22 ILE A 44 24.506 -5.775 11.090 1.00 54.14 H new ATOM 0 HG23 ILE A 44 26.006 -5.680 12.042 1.00 54.14 H new ATOM 0 HD11 ILE A 44 25.277 -7.590 15.732 1.00 75.35 H new ATOM 0 HD12 ILE A 44 23.822 -7.764 14.721 1.00 75.35 H new ATOM 0 HD13 ILE A 44 25.437 -7.836 13.977 1.00 75.35 H new ATOM 656 N LEU A 45 24.690 -2.969 10.910 1.00 20.45 N ATOM 657 CA LEU A 45 24.427 -2.556 9.536 1.00 2.30 C ATOM 658 C LEU A 45 25.281 -3.378 8.573 1.00 11.43 C ATOM 659 O LEU A 45 26.484 -3.156 8.462 1.00 41.20 O ATOM 660 CB LEU A 45 24.722 -1.054 9.345 1.00 20.41 C ATOM 661 CG LEU A 45 23.861 -0.079 10.179 1.00 5.35 C ATOM 662 CD1 LEU A 45 24.315 -0.051 11.637 1.00 21.13 C ATOM 663 CD2 LEU A 45 23.900 1.325 9.578 1.00 33.23 C ATOM 0 H LEU A 45 25.652 -2.818 11.214 1.00 20.45 H new ATOM 0 HA LEU A 45 23.372 -2.729 9.323 1.00 2.30 H new ATOM 0 HB2 LEU A 45 25.770 -0.877 9.586 1.00 20.41 H new ATOM 0 HB3 LEU A 45 24.592 -0.810 8.291 1.00 20.41 H new ATOM 0 HG LEU A 45 22.832 -0.437 10.154 1.00 5.35 H new ATOM 0 HD11 LEU A 45 23.691 0.644 12.199 1.00 21.13 H new ATOM 0 HD12 LEU A 45 24.224 -1.049 12.066 1.00 21.13 H new ATOM 0 HD13 LEU A 45 25.355 0.272 11.688 1.00 21.13 H new ATOM 0 HD21 LEU A 45 23.287 1.996 10.180 1.00 33.23 H new ATOM 0 HD22 LEU A 45 24.928 1.687 9.564 1.00 33.23 H new ATOM 0 HD23 LEU A 45 23.512 1.296 8.560 1.00 33.23 H new ATOM 675 N VAL A 46 24.664 -4.343 7.902 1.00 71.44 N ATOM 676 CA VAL A 46 25.371 -5.186 6.939 1.00 20.02 C ATOM 677 C VAL A 46 25.231 -4.610 5.528 1.00 61.11 C ATOM 678 O VAL A 46 24.119 -4.322 5.079 1.00 62.33 O ATOM 679 CB VAL A 46 24.855 -6.653 6.968 1.00 71.02 C ATOM 680 CG1 VAL A 46 25.122 -7.295 8.329 1.00 30.25 C ATOM 681 CG2 VAL A 46 23.365 -6.731 6.629 1.00 14.12 C ATOM 0 H VAL A 46 23.674 -4.563 8.006 1.00 71.44 H new ATOM 0 HA VAL A 46 26.423 -5.197 7.223 1.00 20.02 H new ATOM 0 HB VAL A 46 25.403 -7.207 6.206 1.00 71.02 H new ATOM 0 HG11 VAL A 46 24.753 -8.321 8.326 1.00 30.25 H new ATOM 0 HG12 VAL A 46 26.194 -7.296 8.527 1.00 30.25 H new ATOM 0 HG13 VAL A 46 24.610 -6.727 9.106 1.00 30.25 H new ATOM 0 HG21 VAL A 46 23.039 -7.771 6.659 1.00 14.12 H new ATOM 0 HG22 VAL A 46 22.796 -6.151 7.356 1.00 14.12 H new ATOM 0 HG23 VAL A 46 23.197 -6.327 5.631 1.00 14.12 H new ATOM 691 N ASP A 47 26.355 -4.427 4.838 1.00 61.10 N ATOM 692 CA ASP A 47 26.350 -3.826 3.500 1.00 20.45 C ATOM 693 C ASP A 47 27.044 -4.739 2.494 1.00 31.03 C ATOM 694 O ASP A 47 27.919 -5.535 2.856 1.00 60.20 O ATOM 695 CB ASP A 47 27.056 -2.464 3.514 1.00 64.50 C ATOM 696 CG ASP A 47 28.571 -2.598 3.483 1.00 10.33 C ATOM 697 OD1 ASP A 47 29.171 -2.373 2.407 1.00 43.41 O ATOM 698 OD2 ASP A 47 29.162 -2.975 4.511 1.00 44.34 O1- ATOM 0 H ASP A 47 27.281 -4.685 5.180 1.00 61.10 H new ATOM 0 HA ASP A 47 25.310 -3.690 3.203 1.00 20.45 H new ATOM 0 HB2 ASP A 47 26.728 -1.878 2.655 1.00 64.50 H new ATOM 0 HB3 ASP A 47 26.760 -1.913 4.407 1.00 64.50 H new ATOM 703 N PHE A 48 26.651 -4.618 1.228 1.00 11.44 N ATOM 704 CA PHE A 48 27.259 -5.404 0.155 1.00 43.43 C ATOM 705 C PHE A 48 28.627 -4.833 -0.257 1.00 1.12 C ATOM 706 O PHE A 48 29.670 -5.323 0.186 1.00 20.03 O ATOM 707 CB PHE A 48 26.316 -5.482 -1.058 1.00 13.33 C ATOM 708 CG PHE A 48 25.022 -6.208 -0.772 1.00 42.35 C ATOM 709 CD1 PHE A 48 24.988 -7.595 -0.713 1.00 21.12 C ATOM 710 CD2 PHE A 48 23.841 -5.507 -0.565 1.00 71.41 C ATOM 711 CE1 PHE A 48 23.808 -8.266 -0.453 1.00 73.03 C ATOM 712 CE2 PHE A 48 22.659 -6.174 -0.304 1.00 20.25 C ATOM 713 CZ PHE A 48 22.643 -7.554 -0.248 1.00 25.33 C ATOM 0 H PHE A 48 25.914 -3.984 0.919 1.00 11.44 H new ATOM 0 HA PHE A 48 27.423 -6.413 0.534 1.00 43.43 H new ATOM 0 HB2 PHE A 48 26.089 -4.471 -1.397 1.00 13.33 H new ATOM 0 HB3 PHE A 48 26.831 -5.984 -1.877 1.00 13.33 H new ATOM 0 HD1 PHE A 48 25.896 -8.157 -0.872 1.00 21.12 H new ATOM 0 HD2 PHE A 48 23.846 -4.428 -0.609 1.00 71.41 H new ATOM 0 HE1 PHE A 48 23.797 -9.345 -0.410 1.00 73.03 H new ATOM 0 HE2 PHE A 48 21.748 -5.616 -0.144 1.00 20.25 H new ATOM 0 HZ PHE A 48 21.720 -8.076 -0.044 1.00 25.33 H new ATOM 723 N TRP A 49 28.621 -3.784 -1.082 1.00 34.24 N ATOM 724 CA TRP A 49 29.859 -3.215 -1.631 1.00 41.42 C ATOM 725 C TRP A 49 29.873 -1.693 -1.512 1.00 21.22 C ATOM 726 O TRP A 49 28.905 -1.085 -1.057 1.00 72.24 O ATOM 727 CB TRP A 49 30.029 -3.610 -3.108 1.00 33.30 C ATOM 728 CG TRP A 49 30.422 -5.042 -3.318 1.00 3.14 C ATOM 729 CD1 TRP A 49 29.601 -6.086 -3.637 1.00 44.43 C ATOM 730 CD2 TRP A 49 31.745 -5.586 -3.226 1.00 24.41 C ATOM 731 NE1 TRP A 49 30.333 -7.242 -3.753 1.00 0.32 N ATOM 732 CE2 TRP A 49 31.651 -6.963 -3.503 1.00 35.03 C ATOM 733 CE3 TRP A 49 33.000 -5.043 -2.936 1.00 42.42 C ATOM 734 CZ2 TRP A 49 32.764 -7.803 -3.500 1.00 12.11 C ATOM 735 CZ3 TRP A 49 34.104 -5.876 -2.933 1.00 3.11 C ATOM 736 CH2 TRP A 49 33.979 -7.244 -3.213 1.00 4.13 C ATOM 0 H TRP A 49 27.772 -3.309 -1.387 1.00 34.24 H new ATOM 0 HA TRP A 49 30.687 -3.619 -1.049 1.00 41.42 H new ATOM 0 HB2 TRP A 49 29.093 -3.421 -3.634 1.00 33.30 H new ATOM 0 HB3 TRP A 49 30.784 -2.967 -3.560 1.00 33.30 H new ATOM 0 HD1 TRP A 49 28.533 -6.013 -3.777 1.00 44.43 H new ATOM 0 HE1 TRP A 49 29.956 -8.160 -3.987 1.00 0.32 H new ATOM 0 HE3 TRP A 49 33.106 -3.991 -2.718 1.00 42.42 H new ATOM 0 HZ2 TRP A 49 32.670 -8.857 -3.716 1.00 12.11 H new ATOM 0 HZ3 TRP A 49 35.078 -5.466 -2.711 1.00 3.11 H new ATOM 0 HH2 TRP A 49 34.860 -7.869 -3.202 1.00 4.13 H new ATOM 747 N ALA A 50 30.975 -1.093 -1.950 1.00 22.45 N ATOM 748 CA ALA A 50 31.152 0.354 -1.909 1.00 35.35 C ATOM 749 C ALA A 50 31.212 0.916 -3.333 1.00 53.44 C ATOM 750 O ALA A 50 32.152 0.628 -4.077 1.00 0.02 O ATOM 751 CB ALA A 50 32.422 0.701 -1.139 1.00 2.31 C ATOM 0 H ALA A 50 31.770 -1.596 -2.343 1.00 22.45 H new ATOM 0 HA ALA A 50 30.302 0.805 -1.396 1.00 35.35 H new ATOM 0 HB1 ALA A 50 32.547 1.783 -1.113 1.00 2.31 H new ATOM 0 HB2 ALA A 50 32.346 0.320 -0.121 1.00 2.31 H new ATOM 0 HB3 ALA A 50 33.282 0.248 -1.633 1.00 2.31 H new ATOM 757 N PRO A 51 30.211 1.724 -3.734 1.00 40.53 N ATOM 758 CA PRO A 51 30.129 2.272 -5.093 1.00 70.20 C ATOM 759 C PRO A 51 31.176 3.359 -5.337 1.00 71.11 C ATOM 760 O PRO A 51 30.893 4.553 -5.192 1.00 74.11 O ATOM 761 CB PRO A 51 28.707 2.851 -5.154 1.00 74.34 C ATOM 762 CG PRO A 51 28.397 3.215 -3.740 1.00 52.14 C ATOM 763 CD PRO A 51 29.088 2.180 -2.889 1.00 53.11 C ATOM 0 HA PRO A 51 30.323 1.520 -5.858 1.00 70.20 H new ATOM 0 HB2 PRO A 51 28.659 3.721 -5.809 1.00 74.34 H new ATOM 0 HB3 PRO A 51 27.996 2.121 -5.542 1.00 74.34 H new ATOM 0 HG2 PRO A 51 28.757 4.217 -3.506 1.00 52.14 H new ATOM 0 HG3 PRO A 51 27.322 3.213 -3.562 1.00 52.14 H new ATOM 0 HD2 PRO A 51 29.441 2.605 -1.949 1.00 53.11 H new ATOM 0 HD3 PRO A 51 28.418 1.358 -2.635 1.00 53.11 H new ATOM 771 N TRP A 52 32.394 2.931 -5.671 1.00 22.33 N ATOM 772 CA TRP A 52 33.503 3.848 -5.942 1.00 73.04 C ATOM 773 C TRP A 52 33.816 4.702 -4.714 1.00 50.31 C ATOM 774 O TRP A 52 34.419 5.774 -4.821 1.00 15.24 O ATOM 775 CB TRP A 52 33.184 4.731 -7.161 1.00 35.32 C ATOM 776 CG TRP A 52 33.082 3.953 -8.442 1.00 23.52 C ATOM 777 CD1 TRP A 52 32.000 3.253 -8.896 1.00 15.32 C ATOM 778 CD2 TRP A 52 34.108 3.784 -9.429 1.00 74.15 C ATOM 779 NE1 TRP A 52 32.292 2.660 -10.099 1.00 12.34 N ATOM 780 CE2 TRP A 52 33.577 2.974 -10.449 1.00 13.14 C ATOM 781 CE3 TRP A 52 35.423 4.245 -9.550 1.00 71.12 C ATOM 782 CZ2 TRP A 52 34.315 2.609 -11.572 1.00 52.24 C ATOM 783 CZ3 TRP A 52 36.155 3.883 -10.666 1.00 71.20 C ATOM 784 CH2 TRP A 52 35.598 3.073 -11.665 1.00 73.11 C ATOM 0 H TRP A 52 32.639 1.945 -5.761 1.00 22.33 H new ATOM 0 HA TRP A 52 34.390 3.257 -6.171 1.00 73.04 H new ATOM 0 HB2 TRP A 52 32.245 5.256 -6.986 1.00 35.32 H new ATOM 0 HB3 TRP A 52 33.959 5.490 -7.265 1.00 35.32 H new ATOM 0 HD1 TRP A 52 31.053 3.177 -8.383 1.00 15.32 H new ATOM 0 HE1 TRP A 52 31.654 2.079 -10.644 1.00 12.34 H new ATOM 0 HE3 TRP A 52 35.859 4.872 -8.786 1.00 71.12 H new ATOM 0 HZ2 TRP A 52 33.890 1.982 -12.342 1.00 52.24 H new ATOM 0 HZ3 TRP A 52 37.172 4.230 -10.769 1.00 71.20 H new ATOM 0 HH2 TRP A 52 36.194 2.810 -12.526 1.00 73.11 H new ATOM 795 N CYS A 53 33.429 4.197 -3.545 1.00 40.41 N ATOM 796 CA CYS A 53 33.640 4.902 -2.287 1.00 72.24 C ATOM 797 C CYS A 53 35.065 4.672 -1.789 1.00 13.10 C ATOM 798 O CYS A 53 35.291 4.010 -0.775 1.00 1.35 O ATOM 799 CB CYS A 53 32.616 4.447 -1.239 1.00 64.50 C ATOM 800 SG CYS A 53 32.784 5.262 0.364 1.00 4.22 S ATOM 0 H CYS A 53 32.964 3.295 -3.445 1.00 40.41 H new ATOM 0 HA CYS A 53 33.501 5.970 -2.455 1.00 72.24 H new ATOM 0 HB2 CYS A 53 31.613 4.631 -1.624 1.00 64.50 H new ATOM 0 HB3 CYS A 53 32.711 3.370 -1.098 1.00 64.50 H new ATOM 0 HG CYS A 53 33.013 4.371 1.282 1.00 4.22 H new ATOM 806 N GLY A 54 36.024 5.203 -2.538 1.00 12.05 N ATOM 807 CA GLY A 54 37.423 5.083 -2.174 1.00 63.14 C ATOM 808 C GLY A 54 38.070 6.439 -1.987 1.00 21.34 C ATOM 809 O GLY A 54 37.606 7.425 -2.566 1.00 30.51 O ATOM 0 H GLY A 54 35.854 5.720 -3.401 1.00 12.05 H new ATOM 0 HA2 GLY A 54 37.511 4.507 -1.253 1.00 63.14 H new ATOM 0 HA3 GLY A 54 37.955 4.530 -2.948 1.00 63.14 H new ATOM 813 N PRO A 55 39.163 6.520 -1.205 1.00 62.11 N ATOM 814 CA PRO A 55 39.824 7.795 -0.886 1.00 44.20 C ATOM 815 C PRO A 55 40.442 8.465 -2.116 1.00 20.23 C ATOM 816 O PRO A 55 40.942 9.587 -2.032 1.00 51.11 O ATOM 817 CB PRO A 55 40.913 7.392 0.123 1.00 50.35 C ATOM 818 CG PRO A 55 41.172 5.951 -0.156 1.00 20.21 C ATOM 819 CD PRO A 55 39.846 5.373 -0.572 1.00 4.44 C ATOM 0 HA PRO A 55 39.119 8.530 -0.498 1.00 44.20 H new ATOM 0 HB2 PRO A 55 41.815 7.989 -0.008 1.00 50.35 H new ATOM 0 HB3 PRO A 55 40.578 7.543 1.149 1.00 50.35 H new ATOM 0 HG2 PRO A 55 41.916 5.832 -0.944 1.00 20.21 H new ATOM 0 HG3 PRO A 55 41.560 5.445 0.728 1.00 20.21 H new ATOM 0 HD2 PRO A 55 39.969 4.543 -1.268 1.00 4.44 H new ATOM 0 HD3 PRO A 55 39.286 4.992 0.282 1.00 4.44 H new ATOM 827 N CYS A 56 40.402 7.774 -3.252 1.00 50.20 N ATOM 828 CA CYS A 56 40.945 8.299 -4.501 1.00 63.13 C ATOM 829 C CYS A 56 39.836 8.484 -5.539 1.00 53.23 C ATOM 830 O CYS A 56 40.099 8.522 -6.740 1.00 2.13 O ATOM 831 CB CYS A 56 42.024 7.347 -5.033 1.00 10.11 C ATOM 832 SG CYS A 56 43.375 7.053 -3.867 1.00 70.01 S ATOM 0 H CYS A 56 39.996 6.842 -3.333 1.00 50.20 H new ATOM 0 HA CYS A 56 41.392 9.275 -4.309 1.00 63.13 H new ATOM 0 HB2 CYS A 56 41.561 6.393 -5.287 1.00 10.11 H new ATOM 0 HB3 CYS A 56 42.435 7.757 -5.955 1.00 10.11 H new ATOM 0 HG CYS A 56 44.237 6.238 -4.398 1.00 70.01 H new ATOM 838 N ARG A 57 38.594 8.616 -5.071 1.00 74.52 N ATOM 839 CA ARG A 57 37.454 8.800 -5.971 1.00 55.44 C ATOM 840 C ARG A 57 36.344 9.565 -5.249 1.00 11.15 C ATOM 841 O ARG A 57 35.955 10.653 -5.672 1.00 63.41 O ATOM 842 CB ARG A 57 36.928 7.438 -6.477 1.00 12.30 C ATOM 843 CG ARG A 57 36.362 7.441 -7.908 1.00 63.42 C ATOM 844 CD ARG A 57 35.173 8.389 -8.102 1.00 54.12 C ATOM 845 NE ARG A 57 35.593 9.783 -8.325 1.00 5.12 N ATOM 846 CZ ARG A 57 35.362 10.466 -9.450 1.00 44.05 C ATOM 847 NH1 ARG A 57 34.710 9.902 -10.460 1.00 71.02 N1+ ATOM 848 NH2 ARG A 57 35.780 11.723 -9.562 1.00 43.51 N ATOM 0 H ARG A 57 38.352 8.599 -4.080 1.00 74.52 H new ATOM 0 HA ARG A 57 37.781 9.377 -6.836 1.00 55.44 H new ATOM 0 HB2 ARG A 57 37.740 6.712 -6.427 1.00 12.30 H new ATOM 0 HB3 ARG A 57 36.149 7.093 -5.797 1.00 12.30 H new ATOM 0 HG2 ARG A 57 37.155 7.721 -8.602 1.00 63.42 H new ATOM 0 HG3 ARG A 57 36.054 6.429 -8.169 1.00 63.42 H new ATOM 0 HD2 ARG A 57 34.579 8.052 -8.951 1.00 54.12 H new ATOM 0 HD3 ARG A 57 34.529 8.343 -7.224 1.00 54.12 H new ATOM 0 HE ARG A 57 36.092 10.257 -7.573 1.00 5.12 H new ATOM 0 HH11 ARG A 57 34.381 8.940 -10.381 1.00 71.02 H new ATOM 0 HH12 ARG A 57 34.538 10.431 -11.315 1.00 71.02 H new ATOM 0 HH21 ARG A 57 36.277 12.166 -8.789 1.00 43.51 H new ATOM 0 HH22 ARG A 57 35.604 12.244 -10.421 1.00 43.51 H new ATOM 862 N SER A 58 35.845 8.992 -4.158 1.00 14.32 N ATOM 863 CA SER A 58 34.771 9.609 -3.389 1.00 52.33 C ATOM 864 C SER A 58 34.519 8.833 -2.098 1.00 23.40 C ATOM 865 O SER A 58 33.549 8.079 -1.991 1.00 31.51 O ATOM 866 CB SER A 58 33.482 9.693 -4.230 1.00 40.14 C ATOM 867 OG SER A 58 32.417 10.284 -3.499 1.00 23.41 O ATOM 0 H SER A 58 36.169 8.099 -3.786 1.00 14.32 H new ATOM 0 HA SER A 58 35.077 10.622 -3.126 1.00 52.33 H new ATOM 0 HB2 SER A 58 33.673 10.276 -5.131 1.00 40.14 H new ATOM 0 HB3 SER A 58 33.192 8.693 -4.552 1.00 40.14 H new ATOM 0 HG SER A 58 31.616 10.323 -4.062 1.00 23.41 H new ATOM 873 N LEU A 59 35.411 8.993 -1.127 1.00 70.31 N ATOM 874 CA LEU A 59 35.226 8.382 0.183 1.00 23.41 C ATOM 875 C LEU A 59 34.305 9.261 1.023 1.00 11.14 C ATOM 876 O LEU A 59 34.764 10.136 1.764 1.00 73.33 O ATOM 877 CB LEU A 59 36.578 8.182 0.886 1.00 63.42 C ATOM 878 CG LEU A 59 36.519 7.463 2.247 1.00 50.24 C ATOM 879 CD1 LEU A 59 35.952 6.051 2.098 1.00 50.12 C ATOM 880 CD2 LEU A 59 37.901 7.424 2.894 1.00 62.02 C ATOM 0 H LEU A 59 36.267 9.539 -1.222 1.00 70.31 H new ATOM 0 HA LEU A 59 34.769 7.400 0.059 1.00 23.41 H new ATOM 0 HB2 LEU A 59 37.232 7.615 0.223 1.00 63.42 H new ATOM 0 HB3 LEU A 59 37.040 9.158 1.031 1.00 63.42 H new ATOM 0 HG LEU A 59 35.850 8.026 2.898 1.00 50.24 H new ATOM 0 HD11 LEU A 59 35.922 5.566 3.074 1.00 50.12 H new ATOM 0 HD12 LEU A 59 34.943 6.105 1.688 1.00 50.12 H new ATOM 0 HD13 LEU A 59 36.586 5.473 1.426 1.00 50.12 H new ATOM 0 HD21 LEU A 59 37.839 6.912 3.854 1.00 62.02 H new ATOM 0 HD22 LEU A 59 38.593 6.890 2.242 1.00 62.02 H new ATOM 0 HD23 LEU A 59 38.260 8.442 3.048 1.00 62.02 H new ATOM 892 N GLU A 60 33.001 9.059 0.861 1.00 23.25 N ATOM 893 CA GLU A 60 32.006 9.851 1.574 1.00 63.30 C ATOM 894 C GLU A 60 30.678 9.088 1.684 1.00 54.43 C ATOM 895 O GLU A 60 29.673 9.464 1.073 1.00 54.24 O ATOM 896 CB GLU A 60 31.814 11.208 0.869 1.00 32.23 C ATOM 897 CG GLU A 60 30.856 12.156 1.584 1.00 61.51 C ATOM 898 CD GLU A 60 31.210 12.353 3.048 1.00 30.43 C ATOM 899 OE1 GLU A 60 32.110 13.167 3.349 1.00 73.14 O ATOM 900 OE2 GLU A 60 30.591 11.695 3.911 1.00 22.24 O1- ATOM 0 H GLU A 60 32.608 8.351 0.240 1.00 23.25 H new ATOM 0 HA GLU A 60 32.362 10.036 2.588 1.00 63.30 H new ATOM 0 HB2 GLU A 60 32.784 11.695 0.773 1.00 32.23 H new ATOM 0 HB3 GLU A 60 31.445 11.031 -0.141 1.00 32.23 H new ATOM 0 HG2 GLU A 60 30.863 13.122 1.079 1.00 61.51 H new ATOM 0 HG3 GLU A 60 29.841 11.765 1.509 1.00 61.51 H new ATOM 907 N PRO A 61 30.669 7.971 2.437 1.00 71.14 N ATOM 908 CA PRO A 61 29.456 7.221 2.714 1.00 63.12 C ATOM 909 C PRO A 61 28.781 7.672 4.013 1.00 34.35 C ATOM 910 O PRO A 61 29.431 8.195 4.926 1.00 5.53 O ATOM 911 CB PRO A 61 29.983 5.793 2.838 1.00 14.52 C ATOM 912 CG PRO A 61 31.333 5.951 3.457 1.00 30.32 C ATOM 913 CD PRO A 61 31.844 7.322 3.052 1.00 11.01 C ATOM 0 HA PRO A 61 28.690 7.350 1.949 1.00 63.12 H new ATOM 0 HB2 PRO A 61 29.330 5.180 3.459 1.00 14.52 H new ATOM 0 HB3 PRO A 61 30.046 5.306 1.865 1.00 14.52 H new ATOM 0 HG2 PRO A 61 31.273 5.866 4.542 1.00 30.32 H new ATOM 0 HG3 PRO A 61 32.010 5.169 3.113 1.00 30.32 H new ATOM 0 HD2 PRO A 61 32.206 7.884 3.913 1.00 11.01 H new ATOM 0 HD3 PRO A 61 32.673 7.248 2.349 1.00 11.01 H new ATOM 921 N GLN A 62 27.481 7.433 4.090 1.00 20.04 N ATOM 922 CA GLN A 62 26.672 7.819 5.247 1.00 30.53 C ATOM 923 C GLN A 62 27.172 7.082 6.492 1.00 60.42 C ATOM 924 O GLN A 62 27.165 7.610 7.623 1.00 0.52 O ATOM 925 CB GLN A 62 25.194 7.459 4.999 1.00 4.44 C ATOM 926 CG GLN A 62 24.629 7.922 3.655 1.00 24.15 C ATOM 927 CD GLN A 62 25.012 7.005 2.505 1.00 74.10 C ATOM 928 OE1 GLN A 62 25.238 5.813 2.697 1.00 42.41 O ATOM 929 NE2 GLN A 62 25.093 7.550 1.307 1.00 51.24 N ATOM 0 H GLN A 62 26.952 6.966 3.354 1.00 20.04 H new ATOM 0 HA GLN A 62 26.759 8.895 5.399 1.00 30.53 H new ATOM 0 HB2 GLN A 62 25.083 6.377 5.068 1.00 4.44 H new ATOM 0 HB3 GLN A 62 24.592 7.893 5.797 1.00 4.44 H new ATOM 0 HG2 GLN A 62 23.543 7.977 3.723 1.00 24.15 H new ATOM 0 HG3 GLN A 62 24.987 8.930 3.444 1.00 24.15 H new ATOM 0 HE21 GLN A 62 24.898 8.544 1.185 1.00 51.24 H new ATOM 0 HE22 GLN A 62 25.350 6.978 0.503 1.00 51.24 H new ATOM 938 N LEU A 63 27.634 5.856 6.245 1.00 40.34 N ATOM 939 CA LEU A 63 28.053 4.943 7.297 1.00 62.14 C ATOM 940 C LEU A 63 29.144 5.567 8.157 1.00 53.24 C ATOM 941 O LEU A 63 29.039 5.562 9.374 1.00 10.51 O ATOM 942 CB LEU A 63 28.552 3.610 6.703 1.00 34.22 C ATOM 943 CG LEU A 63 27.482 2.708 6.047 1.00 63.33 C ATOM 944 CD1 LEU A 63 26.345 2.411 7.025 1.00 33.11 C ATOM 945 CD2 LEU A 63 26.944 3.323 4.751 1.00 74.22 C ATOM 0 H LEU A 63 27.727 5.471 5.305 1.00 40.34 H new ATOM 0 HA LEU A 63 27.185 4.743 7.925 1.00 62.14 H new ATOM 0 HB2 LEU A 63 29.315 3.832 5.957 1.00 34.22 H new ATOM 0 HB3 LEU A 63 29.038 3.042 7.497 1.00 34.22 H new ATOM 0 HG LEU A 63 27.962 1.765 5.787 1.00 63.33 H new ATOM 0 HD11 LEU A 63 25.605 1.775 6.540 1.00 33.11 H new ATOM 0 HD12 LEU A 63 26.743 1.901 7.902 1.00 33.11 H new ATOM 0 HD13 LEU A 63 25.875 3.346 7.331 1.00 33.11 H new ATOM 0 HD21 LEU A 63 26.194 2.661 4.318 1.00 74.22 H new ATOM 0 HD22 LEU A 63 26.492 4.291 4.968 1.00 74.22 H new ATOM 0 HD23 LEU A 63 27.763 3.455 4.044 1.00 74.22 H new ATOM 957 N GLU A 64 30.177 6.130 7.521 1.00 74.41 N ATOM 958 CA GLU A 64 31.263 6.771 8.264 1.00 41.25 C ATOM 959 C GLU A 64 30.709 7.901 9.118 1.00 3.44 C ATOM 960 O GLU A 64 30.955 7.966 10.322 1.00 44.25 O ATOM 961 CB GLU A 64 32.337 7.351 7.332 1.00 1.34 C ATOM 962 CG GLU A 64 33.185 6.321 6.601 1.00 23.15 C ATOM 963 CD GLU A 64 34.381 6.967 5.909 1.00 20.32 C ATOM 964 OE1 GLU A 64 34.166 7.806 5.009 1.00 3.24 O ATOM 965 OE2 GLU A 64 35.533 6.659 6.279 1.00 1.43 O1- ATOM 0 H GLU A 64 30.282 6.154 6.507 1.00 74.41 H new ATOM 0 HA GLU A 64 31.721 6.002 8.887 1.00 41.25 H new ATOM 0 HB2 GLU A 64 31.849 7.987 6.593 1.00 1.34 H new ATOM 0 HB3 GLU A 64 32.996 7.991 7.918 1.00 1.34 H new ATOM 0 HG2 GLU A 64 33.536 5.569 7.308 1.00 23.15 H new ATOM 0 HG3 GLU A 64 32.573 5.803 5.863 1.00 23.15 H new ATOM 972 N LYS A 65 29.947 8.778 8.471 1.00 20.50 N ATOM 973 CA LYS A 65 29.404 9.966 9.117 1.00 60.24 C ATOM 974 C LYS A 65 28.684 9.620 10.417 1.00 52.42 C ATOM 975 O LYS A 65 28.970 10.218 11.459 1.00 3.44 O ATOM 976 CB LYS A 65 28.470 10.726 8.157 1.00 11.51 C ATOM 977 CG LYS A 65 29.215 11.542 7.100 1.00 5.11 C ATOM 978 CD LYS A 65 30.031 12.668 7.739 1.00 2.21 C ATOM 979 CE LYS A 65 30.822 13.468 6.710 1.00 11.43 C ATOM 980 NZ LYS A 65 31.849 12.635 6.033 1.00 71.31 N1+ ATOM 0 H LYS A 65 29.690 8.685 7.488 1.00 20.50 H new ATOM 0 HA LYS A 65 30.241 10.616 9.372 1.00 60.24 H new ATOM 0 HB2 LYS A 65 27.815 10.011 7.658 1.00 11.51 H new ATOM 0 HB3 LYS A 65 27.831 11.393 8.736 1.00 11.51 H new ATOM 0 HG2 LYS A 65 29.877 10.888 6.532 1.00 5.11 H new ATOM 0 HG3 LYS A 65 28.501 11.964 6.393 1.00 5.11 H new ATOM 0 HD2 LYS A 65 29.361 13.337 8.279 1.00 2.21 H new ATOM 0 HD3 LYS A 65 30.718 12.245 8.472 1.00 2.21 H new ATOM 0 HE2 LYS A 65 30.139 13.879 5.966 1.00 11.43 H new ATOM 0 HE3 LYS A 65 31.305 14.313 7.200 1.00 11.43 H new ATOM 0 HZ1 LYS A 65 32.388 13.223 5.366 1.00 71.31 H new ATOM 0 HZ2 LYS A 65 32.496 12.236 6.743 1.00 71.31 H new ATOM 0 HZ3 LYS A 65 31.383 11.862 5.516 1.00 71.31 H new ATOM 994 N LEU A 66 27.769 8.653 10.376 1.00 33.34 N ATOM 995 CA LEU A 66 27.028 8.292 11.589 1.00 31.00 C ATOM 996 C LEU A 66 27.834 7.375 12.512 1.00 73.03 C ATOM 997 O LEU A 66 27.793 7.537 13.732 1.00 63.44 O ATOM 998 CB LEU A 66 25.669 7.661 11.262 1.00 73.24 C ATOM 999 CG LEU A 66 24.603 8.635 10.723 1.00 12.25 C ATOM 1000 CD1 LEU A 66 23.214 8.012 10.808 1.00 21.43 C ATOM 1001 CD2 LEU A 66 24.639 9.965 11.475 1.00 24.51 C ATOM 0 H LEU A 66 27.525 8.117 9.543 1.00 33.34 H new ATOM 0 HA LEU A 66 26.850 9.225 12.123 1.00 31.00 H new ATOM 0 HB2 LEU A 66 25.821 6.871 10.526 1.00 73.24 H new ATOM 0 HB3 LEU A 66 25.281 7.186 12.163 1.00 73.24 H new ATOM 0 HG LEU A 66 24.831 8.834 9.676 1.00 12.25 H new ATOM 0 HD11 LEU A 66 22.476 8.715 10.423 1.00 21.43 H new ATOM 0 HD12 LEU A 66 23.188 7.098 10.215 1.00 21.43 H new ATOM 0 HD13 LEU A 66 22.984 7.777 11.847 1.00 21.43 H new ATOM 0 HD21 LEU A 66 23.876 10.631 11.073 1.00 24.51 H new ATOM 0 HD22 LEU A 66 24.446 9.790 12.533 1.00 24.51 H new ATOM 0 HD23 LEU A 66 25.621 10.424 11.356 1.00 24.51 H new ATOM 1013 N ALA A 67 28.573 6.430 11.940 1.00 33.21 N ATOM 1014 CA ALA A 67 29.316 5.449 12.737 1.00 60.51 C ATOM 1015 C ALA A 67 30.374 6.127 13.607 1.00 4.11 C ATOM 1016 O ALA A 67 30.583 5.741 14.752 1.00 32.33 O ATOM 1017 CB ALA A 67 29.952 4.391 11.844 1.00 61.50 C ATOM 0 H ALA A 67 28.676 6.319 10.931 1.00 33.21 H new ATOM 0 HA ALA A 67 28.604 4.955 13.399 1.00 60.51 H new ATOM 0 HB1 ALA A 67 30.497 3.675 12.459 1.00 61.50 H new ATOM 0 HB2 ALA A 67 29.174 3.871 11.286 1.00 61.50 H new ATOM 0 HB3 ALA A 67 30.641 4.869 11.147 1.00 61.50 H new ATOM 1023 N GLN A 68 31.025 7.150 13.061 1.00 62.24 N ATOM 1024 CA GLN A 68 32.034 7.913 13.800 1.00 13.04 C ATOM 1025 C GLN A 68 31.468 8.447 15.117 1.00 53.05 C ATOM 1026 O GLN A 68 32.201 8.629 16.091 1.00 12.13 O ATOM 1027 CB GLN A 68 32.578 9.058 12.937 1.00 3.32 C ATOM 1028 CG GLN A 68 33.526 8.590 11.832 1.00 70.24 C ATOM 1029 CD GLN A 68 33.904 9.697 10.865 1.00 12.33 C ATOM 1030 OE1 GLN A 68 33.914 10.875 11.220 1.00 32.14 O ATOM 1031 NE2 GLN A 68 34.234 9.328 9.638 1.00 50.53 N ATOM 0 H GLN A 68 30.873 7.473 12.106 1.00 62.24 H new ATOM 0 HA GLN A 68 32.857 7.241 14.041 1.00 13.04 H new ATOM 0 HB2 GLN A 68 31.742 9.592 12.486 1.00 3.32 H new ATOM 0 HB3 GLN A 68 33.101 9.768 13.577 1.00 3.32 H new ATOM 0 HG2 GLN A 68 34.431 8.186 12.285 1.00 70.24 H new ATOM 0 HG3 GLN A 68 33.056 7.777 11.279 1.00 70.24 H new ATOM 0 HE21 GLN A 68 34.214 8.342 9.379 1.00 50.53 H new ATOM 0 HE22 GLN A 68 34.508 10.030 8.951 1.00 50.53 H new ATOM 1040 N GLN A 69 30.167 8.722 15.127 1.00 3.22 N ATOM 1041 CA GLN A 69 29.484 9.200 16.328 1.00 64.01 C ATOM 1042 C GLN A 69 28.937 8.027 17.147 1.00 2.34 C ATOM 1043 O GLN A 69 29.146 7.939 18.357 1.00 32.30 O ATOM 1044 CB GLN A 69 28.325 10.134 15.940 1.00 45.14 C ATOM 1045 CG GLN A 69 28.741 11.349 15.113 1.00 65.55 C ATOM 1046 CD GLN A 69 29.601 12.342 15.884 1.00 2.42 C ATOM 1047 OE1 GLN A 69 30.359 11.972 16.785 1.00 1.02 O ATOM 1048 NE2 GLN A 69 29.487 13.615 15.539 1.00 3.02 N ATOM 0 H GLN A 69 29.561 8.622 14.313 1.00 3.22 H new ATOM 0 HA GLN A 69 30.207 9.746 16.934 1.00 64.01 H new ATOM 0 HB2 GLN A 69 27.587 9.562 15.377 1.00 45.14 H new ATOM 0 HB3 GLN A 69 27.834 10.480 16.849 1.00 45.14 H new ATOM 0 HG2 GLN A 69 29.290 11.010 14.234 1.00 65.55 H new ATOM 0 HG3 GLN A 69 27.847 11.857 14.753 1.00 65.55 H new ATOM 0 HE21 GLN A 69 28.850 13.885 14.789 1.00 3.02 H new ATOM 0 HE22 GLN A 69 30.036 14.326 16.023 1.00 3.02 H new ATOM 1057 N TYR A 70 28.250 7.122 16.462 1.00 15.43 N ATOM 1058 CA TYR A 70 27.496 6.046 17.104 1.00 52.45 C ATOM 1059 C TYR A 70 28.275 4.729 17.124 1.00 43.25 C ATOM 1060 O TYR A 70 27.675 3.663 17.244 1.00 23.43 O ATOM 1061 CB TYR A 70 26.167 5.837 16.362 1.00 41.22 C ATOM 1062 CG TYR A 70 25.331 7.095 16.197 1.00 45.13 C ATOM 1063 CD1 TYR A 70 24.698 7.377 14.991 1.00 21.13 C ATOM 1064 CD2 TYR A 70 25.164 7.990 17.248 1.00 51.10 C ATOM 1065 CE1 TYR A 70 23.923 8.509 14.839 1.00 24.45 C ATOM 1066 CE2 TYR A 70 24.391 9.128 17.101 1.00 75.23 C ATOM 1067 CZ TYR A 70 23.772 9.381 15.895 1.00 51.34 C ATOM 1068 OH TYR A 70 22.995 10.509 15.741 1.00 41.22 O ATOM 0 H TYR A 70 28.198 7.111 15.443 1.00 15.43 H new ATOM 0 HA TYR A 70 27.315 6.343 18.137 1.00 52.45 H new ATOM 0 HB2 TYR A 70 26.378 5.424 15.375 1.00 41.22 H new ATOM 0 HB3 TYR A 70 25.579 5.093 16.900 1.00 41.22 H new ATOM 0 HD1 TYR A 70 24.815 6.698 14.159 1.00 21.13 H new ATOM 0 HD2 TYR A 70 25.646 7.794 18.195 1.00 51.10 H new ATOM 0 HE1 TYR A 70 23.437 8.710 13.896 1.00 24.45 H new ATOM 0 HE2 TYR A 70 24.273 9.815 17.926 1.00 75.23 H new ATOM 0 HH TYR A 70 22.170 10.276 15.266 1.00 41.22 H new ATOM 1078 N THR A 71 29.600 4.799 17.034 1.00 10.13 N ATOM 1079 CA THR A 71 30.435 3.603 16.871 1.00 50.24 C ATOM 1080 C THR A 71 30.135 2.534 17.936 1.00 4.21 C ATOM 1081 O THR A 71 30.028 1.346 17.618 1.00 74.33 O ATOM 1082 CB THR A 71 31.945 3.968 16.897 1.00 24.21 C ATOM 1083 OG1 THR A 71 32.753 2.790 16.765 1.00 64.41 O ATOM 1084 CG2 THR A 71 32.323 4.704 18.177 1.00 61.32 C ATOM 0 H THR A 71 30.124 5.673 17.071 1.00 10.13 H new ATOM 0 HA THR A 71 30.188 3.181 15.897 1.00 50.24 H new ATOM 0 HB THR A 71 32.131 4.631 16.052 1.00 24.21 H new ATOM 0 HG1 THR A 71 33.701 3.040 16.782 1.00 64.41 H new ATOM 0 HG21 THR A 71 33.386 4.943 18.159 1.00 61.32 H new ATOM 0 HG22 THR A 71 31.746 5.625 18.251 1.00 61.32 H new ATOM 0 HG23 THR A 71 32.108 4.071 19.038 1.00 61.32 H new ATOM 1092 N GLU A 72 29.954 2.948 19.185 1.00 42.02 N ATOM 1093 CA GLU A 72 29.685 2.000 20.267 1.00 2.30 C ATOM 1094 C GLU A 72 28.265 1.438 20.176 1.00 20.15 C ATOM 1095 O GLU A 72 27.959 0.408 20.780 1.00 10.35 O ATOM 1096 CB GLU A 72 29.909 2.658 21.632 1.00 23.31 C ATOM 1097 CG GLU A 72 31.360 3.045 21.888 1.00 35.11 C ATOM 1098 CD GLU A 72 31.563 3.706 23.241 1.00 4.31 C ATOM 1099 OE1 GLU A 72 31.413 4.945 23.331 1.00 53.34 O ATOM 1100 OE2 GLU A 72 31.881 2.993 24.217 1.00 12.34 O1- ATOM 0 H GLU A 72 29.988 3.925 19.475 1.00 42.02 H new ATOM 0 HA GLU A 72 30.384 1.170 20.159 1.00 2.30 H new ATOM 0 HB2 GLU A 72 29.285 3.549 21.704 1.00 23.31 H new ATOM 0 HB3 GLU A 72 29.580 1.974 22.415 1.00 23.31 H new ATOM 0 HG2 GLU A 72 31.985 2.154 21.826 1.00 35.11 H new ATOM 0 HG3 GLU A 72 31.694 3.724 21.103 1.00 35.11 H new ATOM 1107 N ASN A 73 27.410 2.106 19.408 1.00 63.04 N ATOM 1108 CA ASN A 73 26.004 1.716 19.287 1.00 35.11 C ATOM 1109 C ASN A 73 25.719 1.083 17.919 1.00 33.10 C ATOM 1110 O ASN A 73 24.632 0.545 17.693 1.00 0.10 O ATOM 1111 CB ASN A 73 25.103 2.947 19.510 1.00 12.34 C ATOM 1112 CG ASN A 73 23.712 2.614 20.052 1.00 31.21 C ATOM 1113 OD1 ASN A 73 23.118 3.414 20.772 1.00 72.31 O ATOM 1114 ND2 ASN A 73 23.176 1.446 19.728 1.00 23.54 N ATOM 0 H ASN A 73 27.665 2.925 18.856 1.00 63.04 H new ATOM 0 HA ASN A 73 25.786 0.968 20.049 1.00 35.11 H new ATOM 0 HB2 ASN A 73 25.599 3.625 20.204 1.00 12.34 H new ATOM 0 HB3 ASN A 73 24.995 3.480 18.566 1.00 12.34 H new ATOM 0 HD21 ASN A 73 22.251 1.195 20.078 1.00 23.54 H new ATOM 0 HD22 ASN A 73 23.688 0.798 19.129 1.00 23.54 H new ATOM 1121 N VAL A 74 26.689 1.124 17.005 1.00 2.14 N ATOM 1122 CA VAL A 74 26.497 0.541 15.673 1.00 55.14 C ATOM 1123 C VAL A 74 27.696 -0.305 15.269 1.00 12.43 C ATOM 1124 O VAL A 74 28.816 -0.070 15.725 1.00 43.31 O ATOM 1125 CB VAL A 74 26.240 1.614 14.575 1.00 20.14 C ATOM 1126 CG1 VAL A 74 25.007 2.453 14.904 1.00 3.23 C ATOM 1127 CG2 VAL A 74 27.468 2.503 14.370 1.00 4.53 C ATOM 0 H VAL A 74 27.604 1.548 17.157 1.00 2.14 H new ATOM 0 HA VAL A 74 25.608 -0.085 15.747 1.00 55.14 H new ATOM 0 HB VAL A 74 26.049 1.089 13.639 1.00 20.14 H new ATOM 0 HG11 VAL A 74 24.852 3.194 14.120 1.00 3.23 H new ATOM 0 HG12 VAL A 74 24.133 1.805 14.969 1.00 3.23 H new ATOM 0 HG13 VAL A 74 25.155 2.959 15.858 1.00 3.23 H new ATOM 0 HG21 VAL A 74 27.257 3.242 13.597 1.00 4.53 H new ATOM 0 HG22 VAL A 74 27.708 3.012 15.303 1.00 4.53 H new ATOM 0 HG23 VAL A 74 28.315 1.889 14.063 1.00 4.53 H new ATOM 1137 N LYS A 75 27.445 -1.314 14.441 1.00 21.20 N ATOM 1138 CA LYS A 75 28.503 -2.155 13.884 1.00 21.35 C ATOM 1139 C LYS A 75 28.196 -2.480 12.430 1.00 63.31 C ATOM 1140 O LYS A 75 27.197 -3.133 12.138 1.00 34.44 O ATOM 1141 CB LYS A 75 28.659 -3.457 14.689 1.00 1.33 C ATOM 1142 CG LYS A 75 29.270 -3.260 16.072 1.00 33.24 C ATOM 1143 CD LYS A 75 30.689 -2.701 15.985 1.00 0.45 C ATOM 1144 CE LYS A 75 31.248 -2.359 17.361 1.00 50.22 C ATOM 1145 NZ LYS A 75 30.437 -1.319 18.052 1.00 60.14 N1+ ATOM 0 H LYS A 75 26.506 -1.573 14.137 1.00 21.20 H new ATOM 0 HA LYS A 75 29.441 -1.603 13.943 1.00 21.35 H new ATOM 0 HB2 LYS A 75 27.680 -3.924 14.798 1.00 1.33 H new ATOM 0 HB3 LYS A 75 29.282 -4.150 14.123 1.00 1.33 H new ATOM 0 HG2 LYS A 75 28.646 -2.581 16.653 1.00 33.24 H new ATOM 0 HG3 LYS A 75 29.285 -4.212 16.603 1.00 33.24 H new ATOM 0 HD2 LYS A 75 31.338 -3.430 15.500 1.00 0.45 H new ATOM 0 HD3 LYS A 75 30.690 -1.808 15.360 1.00 0.45 H new ATOM 0 HE2 LYS A 75 31.279 -3.260 17.973 1.00 50.22 H new ATOM 0 HE3 LYS A 75 32.275 -2.008 17.258 1.00 50.22 H new ATOM 0 HZ1 LYS A 75 30.983 -0.922 18.843 1.00 60.14 H new ATOM 0 HZ2 LYS A 75 30.200 -0.561 17.381 1.00 60.14 H new ATOM 0 HZ3 LYS A 75 29.561 -1.746 18.415 1.00 60.14 H new ATOM 1159 N ILE A 76 29.051 -2.014 11.524 1.00 51.50 N ATOM 1160 CA ILE A 76 28.864 -2.245 10.095 1.00 62.42 C ATOM 1161 C ILE A 76 29.624 -3.503 9.685 1.00 42.41 C ATOM 1162 O ILE A 76 30.796 -3.653 10.024 1.00 55.02 O ATOM 1163 CB ILE A 76 29.346 -1.038 9.232 1.00 12.35 C ATOM 1164 CG1 ILE A 76 28.515 0.231 9.525 1.00 1.12 C ATOM 1165 CG2 ILE A 76 29.282 -1.380 7.742 1.00 3.40 C ATOM 1166 CD1 ILE A 76 28.763 0.845 10.888 1.00 74.42 C ATOM 0 H ILE A 76 29.883 -1.472 11.756 1.00 51.50 H new ATOM 0 HA ILE A 76 27.796 -2.368 9.915 1.00 62.42 H new ATOM 0 HB ILE A 76 30.382 -0.833 9.501 1.00 12.35 H new ATOM 0 HG12 ILE A 76 28.732 0.976 8.760 1.00 1.12 H new ATOM 0 HG13 ILE A 76 27.457 -0.015 9.439 1.00 1.12 H new ATOM 0 HG21 ILE A 76 29.622 -0.525 7.158 1.00 3.40 H new ATOM 0 HG22 ILE A 76 29.923 -2.238 7.538 1.00 3.40 H new ATOM 0 HG23 ILE A 76 28.255 -1.621 7.468 1.00 3.40 H new ATOM 0 HD11 ILE A 76 28.138 1.730 11.007 1.00 74.42 H new ATOM 0 HD12 ILE A 76 28.517 0.120 11.664 1.00 74.42 H new ATOM 0 HD13 ILE A 76 29.812 1.127 10.974 1.00 74.42 H new ATOM 1178 N TYR A 77 28.957 -4.410 8.978 1.00 71.03 N ATOM 1179 CA TYR A 77 29.572 -5.670 8.569 1.00 54.11 C ATOM 1180 C TYR A 77 29.487 -5.856 7.056 1.00 51.43 C ATOM 1181 O TYR A 77 28.410 -5.736 6.465 1.00 72.20 O ATOM 1182 CB TYR A 77 28.902 -6.859 9.272 1.00 71.24 C ATOM 1183 CG TYR A 77 29.055 -6.881 10.786 1.00 24.41 C ATOM 1184 CD1 TYR A 77 30.229 -6.461 11.401 1.00 45.12 C ATOM 1185 CD2 TYR A 77 28.027 -7.347 11.598 1.00 42.11 C ATOM 1186 CE1 TYR A 77 30.372 -6.501 12.777 1.00 42.33 C ATOM 1187 CE2 TYR A 77 28.159 -7.388 12.973 1.00 12.11 C ATOM 1188 CZ TYR A 77 29.333 -6.964 13.559 1.00 64.01 C ATOM 1189 OH TYR A 77 29.468 -7.003 14.930 1.00 63.24 O ATOM 0 H TYR A 77 27.989 -4.297 8.676 1.00 71.03 H new ATOM 0 HA TYR A 77 30.622 -5.631 8.860 1.00 54.11 H new ATOM 0 HB2 TYR A 77 27.839 -6.853 9.029 1.00 71.24 H new ATOM 0 HB3 TYR A 77 29.317 -7.782 8.867 1.00 71.24 H new ATOM 0 HD1 TYR A 77 31.044 -6.097 10.794 1.00 45.12 H new ATOM 0 HD2 TYR A 77 27.106 -7.684 11.145 1.00 42.11 H new ATOM 0 HE1 TYR A 77 31.292 -6.172 13.237 1.00 42.33 H new ATOM 0 HE2 TYR A 77 27.347 -7.750 13.586 1.00 12.11 H new ATOM 0 HH TYR A 77 28.645 -7.354 15.330 1.00 63.24 H new ATOM 1199 N LYS A 78 30.625 -6.152 6.439 1.00 62.34 N ATOM 1200 CA LYS A 78 30.675 -6.463 5.019 1.00 72.22 C ATOM 1201 C LYS A 78 30.198 -7.897 4.800 1.00 34.31 C ATOM 1202 O LYS A 78 30.849 -8.841 5.255 1.00 24.42 O ATOM 1203 CB LYS A 78 32.110 -6.328 4.476 1.00 35.54 C ATOM 1204 CG LYS A 78 32.849 -5.051 4.886 1.00 40.51 C ATOM 1205 CD LYS A 78 32.208 -3.771 4.343 1.00 21.44 C ATOM 1206 CE LYS A 78 32.086 -3.767 2.818 1.00 63.24 C ATOM 1207 NZ LYS A 78 30.843 -4.441 2.357 1.00 25.23 N1+ ATOM 0 H LYS A 78 31.531 -6.183 6.906 1.00 62.34 H new ATOM 0 HA LYS A 78 30.031 -5.761 4.490 1.00 72.22 H new ATOM 0 HB2 LYS A 78 32.690 -7.187 4.812 1.00 35.54 H new ATOM 0 HB3 LYS A 78 32.074 -6.374 3.388 1.00 35.54 H new ATOM 0 HG2 LYS A 78 32.886 -4.996 5.974 1.00 40.51 H new ATOM 0 HG3 LYS A 78 33.879 -5.109 4.535 1.00 40.51 H new ATOM 0 HD2 LYS A 78 31.217 -3.652 4.782 1.00 21.44 H new ATOM 0 HD3 LYS A 78 32.801 -2.912 4.657 1.00 21.44 H new ATOM 0 HE2 LYS A 78 32.097 -2.739 2.456 1.00 63.24 H new ATOM 0 HE3 LYS A 78 32.952 -4.267 2.384 1.00 63.24 H new ATOM 0 HZ1 LYS A 78 31.085 -5.183 1.669 1.00 25.23 H new ATOM 0 HZ2 LYS A 78 30.358 -4.869 3.171 1.00 25.23 H new ATOM 0 HZ3 LYS A 78 30.216 -3.743 1.908 1.00 25.23 H new ATOM 1221 N ILE A 79 29.068 -8.066 4.127 1.00 72.50 N ATOM 1222 CA ILE A 79 28.565 -9.403 3.828 1.00 53.33 C ATOM 1223 C ILE A 79 29.353 -10.013 2.661 1.00 33.42 C ATOM 1224 O ILE A 79 29.149 -9.654 1.501 1.00 12.31 O ATOM 1225 CB ILE A 79 27.039 -9.398 3.524 1.00 52.41 C ATOM 1226 CG1 ILE A 79 26.554 -10.809 3.151 1.00 51.14 C ATOM 1227 CG2 ILE A 79 26.693 -8.393 2.425 1.00 52.15 C ATOM 1228 CD1 ILE A 79 25.061 -10.899 2.892 1.00 11.22 C ATOM 0 H ILE A 79 28.486 -7.304 3.780 1.00 72.50 H new ATOM 0 HA ILE A 79 28.710 -10.019 4.715 1.00 53.33 H new ATOM 0 HB ILE A 79 26.520 -9.086 4.430 1.00 52.41 H new ATOM 0 HG12 ILE A 79 27.088 -11.142 2.261 1.00 51.14 H new ATOM 0 HG13 ILE A 79 26.815 -11.497 3.955 1.00 51.14 H new ATOM 0 HG21 ILE A 79 25.620 -8.415 2.237 1.00 52.15 H new ATOM 0 HG22 ILE A 79 26.986 -7.392 2.742 1.00 52.15 H new ATOM 0 HG23 ILE A 79 27.227 -8.655 1.511 1.00 52.15 H new ATOM 0 HD11 ILE A 79 24.797 -11.925 2.635 1.00 11.22 H new ATOM 0 HD12 ILE A 79 24.518 -10.598 3.788 1.00 11.22 H new ATOM 0 HD13 ILE A 79 24.794 -10.238 2.067 1.00 11.22 H new ATOM 1240 N ASN A 80 30.284 -10.911 2.986 1.00 55.21 N ATOM 1241 CA ASN A 80 31.145 -11.534 1.976 1.00 12.33 C ATOM 1242 C ASN A 80 30.328 -12.388 1.005 1.00 30.24 C ATOM 1243 O ASN A 80 30.648 -12.479 -0.182 1.00 43.42 O ATOM 1244 CB ASN A 80 32.233 -12.387 2.646 1.00 3.31 C ATOM 1245 CG ASN A 80 33.263 -12.916 1.657 1.00 31.22 C ATOM 1246 OD1 ASN A 80 33.558 -12.281 0.645 1.00 50.11 O ATOM 1247 ND2 ASN A 80 33.830 -14.075 1.952 1.00 15.25 N ATOM 0 H ASN A 80 30.462 -11.224 3.940 1.00 55.21 H new ATOM 0 HA ASN A 80 31.624 -10.736 1.408 1.00 12.33 H new ATOM 0 HB2 ASN A 80 32.739 -11.791 3.406 1.00 3.31 H new ATOM 0 HB3 ASN A 80 31.765 -13.227 3.159 1.00 3.31 H new ATOM 0 HD21 ASN A 80 34.537 -14.470 1.331 1.00 15.25 H new ATOM 0 HD22 ASN A 80 33.560 -14.573 2.800 1.00 15.25 H new ATOM 1254 N ILE A 81 29.264 -13.008 1.514 1.00 22.42 N ATOM 1255 CA ILE A 81 28.383 -13.831 0.685 1.00 23.05 C ATOM 1256 C ILE A 81 27.353 -12.942 -0.032 1.00 33.25 C ATOM 1257 O ILE A 81 26.142 -13.107 0.097 1.00 51.01 O ATOM 1258 CB ILE A 81 27.691 -14.948 1.526 1.00 44.25 C ATOM 1259 CG1 ILE A 81 26.814 -15.849 0.632 1.00 61.14 C ATOM 1260 CG2 ILE A 81 26.877 -14.353 2.676 1.00 43.44 C ATOM 1261 CD1 ILE A 81 26.105 -16.961 1.379 1.00 45.22 C ATOM 0 H ILE A 81 28.991 -12.956 2.495 1.00 22.42 H new ATOM 0 HA ILE A 81 28.987 -14.333 -0.071 1.00 23.05 H new ATOM 0 HB ILE A 81 28.474 -15.568 1.963 1.00 44.25 H new ATOM 0 HG12 ILE A 81 26.069 -15.231 0.131 1.00 61.14 H new ATOM 0 HG13 ILE A 81 27.439 -16.289 -0.145 1.00 61.14 H new ATOM 0 HG21 ILE A 81 26.407 -15.157 3.243 1.00 43.44 H new ATOM 0 HG22 ILE A 81 27.536 -13.783 3.331 1.00 43.44 H new ATOM 0 HG23 ILE A 81 26.107 -13.694 2.274 1.00 43.44 H new ATOM 0 HD11 ILE A 81 25.510 -17.548 0.679 1.00 45.22 H new ATOM 0 HD12 ILE A 81 26.842 -17.605 1.858 1.00 45.22 H new ATOM 0 HD13 ILE A 81 25.452 -16.531 2.138 1.00 45.22 H new ATOM 1273 N GLU A 82 27.866 -11.986 -0.791 1.00 44.23 N ATOM 1274 CA GLU A 82 27.033 -11.026 -1.510 1.00 71.24 C ATOM 1275 C GLU A 82 26.602 -11.593 -2.858 1.00 44.33 C ATOM 1276 O GLU A 82 25.622 -11.145 -3.455 1.00 35.15 O ATOM 1277 CB GLU A 82 27.778 -9.684 -1.685 1.00 64.13 C ATOM 1278 CG GLU A 82 29.276 -9.802 -1.992 1.00 31.24 C ATOM 1279 CD GLU A 82 29.582 -10.516 -3.301 1.00 30.42 C ATOM 1280 OE1 GLU A 82 30.078 -11.663 -3.259 1.00 33.41 O ATOM 1281 OE2 GLU A 82 29.330 -9.932 -4.379 1.00 62.11 O1- ATOM 0 H GLU A 82 28.868 -11.851 -0.928 1.00 44.23 H new ATOM 0 HA GLU A 82 26.135 -10.839 -0.921 1.00 71.24 H new ATOM 0 HB2 GLU A 82 27.302 -9.125 -2.490 1.00 64.13 H new ATOM 0 HB3 GLU A 82 27.655 -9.098 -0.774 1.00 64.13 H new ATOM 0 HG2 GLU A 82 29.710 -8.803 -2.024 1.00 31.24 H new ATOM 0 HG3 GLU A 82 29.763 -10.335 -1.176 1.00 31.24 H new ATOM 1288 N ASP A 83 27.341 -12.592 -3.316 1.00 43.44 N ATOM 1289 CA ASP A 83 27.110 -13.197 -4.622 1.00 1.35 C ATOM 1290 C ASP A 83 25.879 -14.097 -4.611 1.00 52.24 C ATOM 1291 O ASP A 83 25.305 -14.384 -5.663 1.00 50.42 O ATOM 1292 CB ASP A 83 28.346 -14.004 -5.043 1.00 61.33 C ATOM 1293 CG ASP A 83 28.213 -14.619 -6.428 1.00 51.23 C ATOM 1294 OD1 ASP A 83 28.372 -13.882 -7.427 1.00 4.11 O ATOM 1295 OD2 ASP A 83 27.976 -15.843 -6.528 1.00 64.43 O1- ATOM 0 H ASP A 83 28.115 -13.006 -2.796 1.00 43.44 H new ATOM 0 HA ASP A 83 26.931 -12.397 -5.340 1.00 1.35 H new ATOM 0 HB2 ASP A 83 29.221 -13.354 -5.023 1.00 61.33 H new ATOM 0 HB3 ASP A 83 28.521 -14.796 -4.315 1.00 61.33 H new ATOM 1300 N ASN A 84 25.457 -14.530 -3.427 1.00 3.22 N ATOM 1301 CA ASN A 84 24.361 -15.487 -3.329 1.00 41.42 C ATOM 1302 C ASN A 84 23.566 -15.297 -2.035 1.00 71.24 C ATOM 1303 O ASN A 84 23.714 -16.069 -1.090 1.00 34.42 O ATOM 1304 CB ASN A 84 24.913 -16.921 -3.407 1.00 4.01 C ATOM 1305 CG ASN A 84 23.828 -17.972 -3.619 1.00 21.53 C ATOM 1306 OD1 ASN A 84 22.660 -17.760 -3.290 1.00 73.13 O ATOM 1307 ND2 ASN A 84 24.204 -19.121 -4.164 1.00 73.35 N ATOM 0 H ASN A 84 25.851 -14.238 -2.533 1.00 3.22 H new ATOM 0 HA ASN A 84 23.683 -15.313 -4.164 1.00 41.42 H new ATOM 0 HB2 ASN A 84 25.633 -16.982 -4.223 1.00 4.01 H new ATOM 0 HB3 ASN A 84 25.453 -17.146 -2.487 1.00 4.01 H new ATOM 0 HD21 ASN A 84 23.518 -19.859 -4.321 1.00 73.35 H new ATOM 0 HD22 ASN A 84 25.179 -19.266 -4.426 1.00 73.35 H new ATOM 1314 N GLN A 85 22.755 -14.244 -1.985 1.00 22.22 N ATOM 1315 CA GLN A 85 21.817 -14.025 -0.882 1.00 1.01 C ATOM 1316 C GLN A 85 20.536 -13.388 -1.410 1.00 54.43 C ATOM 1317 O GLN A 85 20.536 -12.225 -1.824 1.00 4.25 O ATOM 1318 CB GLN A 85 22.432 -13.143 0.221 1.00 23.04 C ATOM 1319 CG GLN A 85 23.382 -13.884 1.160 1.00 4.41 C ATOM 1320 CD GLN A 85 22.683 -14.949 1.994 1.00 74.21 C ATOM 1321 OE1 GLN A 85 22.190 -14.671 3.088 1.00 63.03 O ATOM 1322 NE2 GLN A 85 22.640 -16.175 1.493 1.00 24.34 N ATOM 0 H GLN A 85 22.727 -13.520 -2.703 1.00 22.22 H new ATOM 0 HA GLN A 85 21.587 -14.994 -0.440 1.00 1.01 H new ATOM 0 HB2 GLN A 85 22.971 -12.319 -0.247 1.00 23.04 H new ATOM 0 HB3 GLN A 85 21.627 -12.703 0.810 1.00 23.04 H new ATOM 0 HG2 GLN A 85 24.173 -14.351 0.573 1.00 4.41 H new ATOM 0 HG3 GLN A 85 23.860 -13.165 1.825 1.00 4.41 H new ATOM 0 HE21 GLN A 85 23.059 -16.369 0.583 1.00 24.34 H new ATOM 0 HE22 GLN A 85 22.188 -16.924 2.017 1.00 24.34 H new ATOM 1331 N ASP A 86 19.442 -14.142 -1.384 1.00 50.34 N ATOM 1332 CA ASP A 86 18.159 -13.659 -1.892 1.00 2.10 C ATOM 1333 C ASP A 86 17.472 -12.744 -0.887 1.00 44.40 C ATOM 1334 O ASP A 86 16.313 -12.375 -1.067 1.00 61.45 O ATOM 1335 CB ASP A 86 17.229 -14.823 -2.256 1.00 2.12 C ATOM 1336 CG ASP A 86 17.639 -15.510 -3.546 1.00 40.31 C ATOM 1337 OD1 ASP A 86 17.939 -16.721 -3.515 1.00 0.05 O ATOM 1338 OD2 ASP A 86 17.668 -14.835 -4.599 1.00 23.02 O1- ATOM 0 H ASP A 86 19.416 -15.093 -1.016 1.00 50.34 H new ATOM 0 HA ASP A 86 18.370 -13.086 -2.795 1.00 2.10 H new ATOM 0 HB2 ASP A 86 17.228 -15.551 -1.445 1.00 2.12 H new ATOM 0 HB3 ASP A 86 16.209 -14.452 -2.353 1.00 2.12 H new ATOM 1343 N VAL A 87 18.189 -12.377 0.170 1.00 13.30 N ATOM 1344 CA VAL A 87 17.687 -11.404 1.134 1.00 62.12 C ATOM 1345 C VAL A 87 17.316 -10.107 0.407 1.00 75.03 C ATOM 1346 O VAL A 87 16.310 -9.464 0.715 1.00 51.34 O ATOM 1347 CB VAL A 87 18.733 -11.107 2.239 1.00 2.21 C ATOM 1348 CG1 VAL A 87 18.157 -10.169 3.300 1.00 43.34 C ATOM 1349 CG2 VAL A 87 19.230 -12.407 2.875 1.00 65.21 C ATOM 0 H VAL A 87 19.119 -12.738 0.381 1.00 13.30 H new ATOM 0 HA VAL A 87 16.804 -11.826 1.614 1.00 62.12 H new ATOM 0 HB VAL A 87 19.583 -10.607 1.775 1.00 2.21 H new ATOM 0 HG11 VAL A 87 18.911 -9.977 4.063 1.00 43.34 H new ATOM 0 HG12 VAL A 87 17.864 -9.228 2.834 1.00 43.34 H new ATOM 0 HG13 VAL A 87 17.284 -10.632 3.760 1.00 43.34 H new ATOM 0 HG21 VAL A 87 19.963 -12.177 3.648 1.00 65.21 H new ATOM 0 HG22 VAL A 87 18.389 -12.939 3.320 1.00 65.21 H new ATOM 0 HG23 VAL A 87 19.692 -13.032 2.111 1.00 65.21 H new ATOM 1359 N ALA A 88 18.123 -9.753 -0.592 1.00 73.53 N ATOM 1360 CA ALA A 88 17.851 -8.583 -1.421 1.00 4.22 C ATOM 1361 C ALA A 88 16.565 -8.788 -2.223 1.00 33.01 C ATOM 1362 O ALA A 88 15.803 -7.845 -2.447 1.00 64.21 O ATOM 1363 CB ALA A 88 19.027 -8.296 -2.350 1.00 23.14 C ATOM 0 H ALA A 88 18.970 -10.261 -0.846 1.00 73.53 H new ATOM 0 HA ALA A 88 17.717 -7.720 -0.769 1.00 4.22 H new ATOM 0 HB1 ALA A 88 18.804 -7.420 -2.959 1.00 23.14 H new ATOM 0 HB2 ALA A 88 19.922 -8.107 -1.757 1.00 23.14 H new ATOM 0 HB3 ALA A 88 19.197 -9.156 -2.999 1.00 23.14 H new ATOM 1369 N THR A 89 16.330 -10.033 -2.639 1.00 32.23 N ATOM 1370 CA THR A 89 15.109 -10.402 -3.347 1.00 45.14 C ATOM 1371 C THR A 89 13.916 -10.339 -2.389 1.00 52.40 C ATOM 1372 O THR A 89 12.799 -10.001 -2.782 1.00 44.23 O ATOM 1373 CB THR A 89 15.226 -11.827 -3.945 1.00 71.01 C ATOM 1374 OG1 THR A 89 16.493 -11.977 -4.606 1.00 30.12 O ATOM 1375 CG2 THR A 89 14.100 -12.110 -4.936 1.00 42.22 C ATOM 0 H THR A 89 16.978 -10.808 -2.495 1.00 32.23 H new ATOM 0 HA THR A 89 14.959 -9.697 -4.164 1.00 45.14 H new ATOM 0 HB THR A 89 15.148 -12.541 -3.125 1.00 71.01 H new ATOM 0 HG1 THR A 89 16.783 -12.912 -4.550 1.00 30.12 H new ATOM 0 HG21 THR A 89 14.212 -13.118 -5.336 1.00 42.22 H new ATOM 0 HG22 THR A 89 13.139 -12.026 -4.428 1.00 42.22 H new ATOM 0 HG23 THR A 89 14.143 -11.388 -5.752 1.00 42.22 H new ATOM 1383 N GLN A 90 14.173 -10.655 -1.119 1.00 42.33 N ATOM 1384 CA GLN A 90 13.160 -10.568 -0.073 1.00 62.23 C ATOM 1385 C GLN A 90 12.715 -9.117 0.090 1.00 72.23 C ATOM 1386 O GLN A 90 11.521 -8.821 0.164 1.00 53.33 O ATOM 1387 CB GLN A 90 13.714 -11.113 1.255 1.00 52.23 C ATOM 1388 CG GLN A 90 12.706 -11.101 2.404 1.00 24.12 C ATOM 1389 CD GLN A 90 11.511 -12.006 2.149 1.00 11.15 C ATOM 1390 OE1 GLN A 90 11.624 -13.030 1.474 1.00 13.10 O ATOM 1391 NE2 GLN A 90 10.355 -11.630 2.671 1.00 2.33 N ATOM 0 H GLN A 90 15.084 -10.976 -0.791 1.00 42.33 H new ATOM 0 HA GLN A 90 12.300 -11.173 -0.358 1.00 62.23 H new ATOM 0 HB2 GLN A 90 14.060 -12.135 1.100 1.00 52.23 H new ATOM 0 HB3 GLN A 90 14.584 -10.523 1.543 1.00 52.23 H new ATOM 0 HG2 GLN A 90 13.204 -11.414 3.321 1.00 24.12 H new ATOM 0 HG3 GLN A 90 12.356 -10.081 2.564 1.00 24.12 H new ATOM 0 HE21 GLN A 90 10.299 -10.775 3.225 1.00 2.33 H new ATOM 0 HE22 GLN A 90 9.519 -12.195 2.520 1.00 2.33 H new ATOM 1400 N TYR A 91 13.692 -8.216 0.141 1.00 4.30 N ATOM 1401 CA TYR A 91 13.416 -6.780 0.203 1.00 53.43 C ATOM 1402 C TYR A 91 13.015 -6.241 -1.169 1.00 30.11 C ATOM 1403 O TYR A 91 12.435 -5.160 -1.273 1.00 53.21 O ATOM 1404 CB TYR A 91 14.639 -6.017 0.737 1.00 31.11 C ATOM 1405 CG TYR A 91 14.853 -6.169 2.234 1.00 40.52 C ATOM 1406 CD1 TYR A 91 15.294 -7.371 2.783 1.00 13.10 C ATOM 1407 CD2 TYR A 91 14.616 -5.102 3.097 1.00 74.03 C ATOM 1408 CE1 TYR A 91 15.488 -7.505 4.144 1.00 3.15 C ATOM 1409 CE2 TYR A 91 14.808 -5.229 4.459 1.00 34.24 C ATOM 1410 CZ TYR A 91 15.244 -6.432 4.978 1.00 20.21 C ATOM 1411 OH TYR A 91 15.443 -6.561 6.334 1.00 61.21 O ATOM 0 H TYR A 91 14.684 -8.453 0.141 1.00 4.30 H new ATOM 0 HA TYR A 91 12.582 -6.628 0.888 1.00 53.43 H new ATOM 0 HB2 TYR A 91 15.530 -6.367 0.215 1.00 31.11 H new ATOM 0 HB3 TYR A 91 14.526 -4.959 0.501 1.00 31.11 H new ATOM 0 HD1 TYR A 91 15.487 -8.212 2.134 1.00 13.10 H new ATOM 0 HD2 TYR A 91 14.276 -4.159 2.694 1.00 74.03 H new ATOM 0 HE1 TYR A 91 15.829 -8.444 4.554 1.00 3.15 H new ATOM 0 HE2 TYR A 91 14.618 -4.392 5.114 1.00 34.24 H new ATOM 0 HH TYR A 91 15.351 -5.685 6.763 1.00 61.21 H new ATOM 1421 N GLY A 92 13.313 -7.011 -2.213 1.00 31.34 N ATOM 1422 CA GLY A 92 12.997 -6.601 -3.572 1.00 71.21 C ATOM 1423 C GLY A 92 13.737 -5.339 -3.977 1.00 34.23 C ATOM 1424 O GLY A 92 13.192 -4.487 -4.684 1.00 3.03 O ATOM 0 H GLY A 92 13.772 -7.919 -2.141 1.00 31.34 H new ATOM 0 HA2 GLY A 92 13.251 -7.406 -4.261 1.00 71.21 H new ATOM 0 HA3 GLY A 92 11.923 -6.434 -3.659 1.00 71.21 H new ATOM 1428 N VAL A 93 14.986 -5.226 -3.534 1.00 73.50 N ATOM 1429 CA VAL A 93 15.780 -4.021 -3.758 1.00 73.43 C ATOM 1430 C VAL A 93 16.491 -4.072 -5.111 1.00 61.21 C ATOM 1431 O VAL A 93 16.906 -5.139 -5.568 1.00 11.43 O ATOM 1432 CB VAL A 93 16.830 -3.823 -2.630 1.00 54.32 C ATOM 1433 CG1 VAL A 93 17.886 -4.924 -2.656 1.00 11.30 C ATOM 1434 CG2 VAL A 93 17.473 -2.440 -2.725 1.00 50.32 C ATOM 0 H VAL A 93 15.472 -5.958 -3.016 1.00 73.50 H new ATOM 0 HA VAL A 93 15.091 -3.177 -3.752 1.00 73.43 H new ATOM 0 HB VAL A 93 16.311 -3.889 -1.674 1.00 54.32 H new ATOM 0 HG11 VAL A 93 18.606 -4.757 -1.855 1.00 11.30 H new ATOM 0 HG12 VAL A 93 17.406 -5.892 -2.516 1.00 11.30 H new ATOM 0 HG13 VAL A 93 18.402 -4.911 -3.616 1.00 11.30 H new ATOM 0 HG21 VAL A 93 18.205 -2.323 -1.926 1.00 50.32 H new ATOM 0 HG22 VAL A 93 17.970 -2.335 -3.690 1.00 50.32 H new ATOM 0 HG23 VAL A 93 16.704 -1.674 -2.628 1.00 50.32 H new ATOM 1444 N SER A 94 16.612 -2.915 -5.751 1.00 25.11 N ATOM 1445 CA SER A 94 17.385 -2.779 -6.977 1.00 54.10 C ATOM 1446 C SER A 94 18.216 -1.503 -6.897 1.00 43.34 C ATOM 1447 O SER A 94 17.790 -0.435 -7.342 1.00 0.10 O ATOM 1448 CB SER A 94 16.463 -2.761 -8.205 1.00 65.43 C ATOM 1449 OG SER A 94 17.208 -2.733 -9.413 1.00 73.31 O ATOM 0 H SER A 94 16.178 -2.048 -5.435 1.00 25.11 H new ATOM 0 HA SER A 94 18.050 -3.636 -7.085 1.00 54.10 H new ATOM 0 HB2 SER A 94 15.821 -3.642 -8.192 1.00 65.43 H new ATOM 0 HB3 SER A 94 15.810 -1.890 -8.159 1.00 65.43 H new ATOM 0 HG SER A 94 16.593 -2.724 -10.176 1.00 73.31 H new ATOM 1455 N ALA A 95 19.380 -1.614 -6.271 1.00 1.42 N ATOM 1456 CA ALA A 95 20.281 -0.487 -6.098 1.00 2.23 C ATOM 1457 C ALA A 95 21.668 -0.984 -5.717 1.00 2.15 C ATOM 1458 O ALA A 95 21.824 -2.125 -5.274 1.00 24.14 O ATOM 1459 CB ALA A 95 19.747 0.469 -5.032 1.00 73.13 C ATOM 0 H ALA A 95 19.724 -2.487 -5.870 1.00 1.42 H new ATOM 0 HA ALA A 95 20.347 0.055 -7.041 1.00 2.23 H new ATOM 0 HB1 ALA A 95 20.435 1.306 -4.917 1.00 73.13 H new ATOM 0 HB2 ALA A 95 18.769 0.842 -5.335 1.00 73.13 H new ATOM 0 HB3 ALA A 95 19.656 -0.059 -4.083 1.00 73.13 H new ATOM 1465 N ILE A 96 22.668 -0.134 -5.891 1.00 21.41 N ATOM 1466 CA ILE A 96 24.038 -0.476 -5.537 1.00 72.10 C ATOM 1467 C ILE A 96 24.634 0.644 -4.668 1.00 12.44 C ATOM 1468 O ILE A 96 24.789 1.781 -5.119 1.00 54.32 O ATOM 1469 CB ILE A 96 24.899 -0.752 -6.816 1.00 14.01 C ATOM 1470 CG1 ILE A 96 26.271 -1.389 -6.476 1.00 72.43 C ATOM 1471 CG2 ILE A 96 25.077 0.512 -7.656 1.00 62.02 C ATOM 1472 CD1 ILE A 96 27.308 -0.439 -5.907 1.00 4.04 C ATOM 0 H ILE A 96 22.556 0.803 -6.278 1.00 21.41 H new ATOM 0 HA ILE A 96 24.042 -1.399 -4.957 1.00 72.10 H new ATOM 0 HB ILE A 96 24.346 -1.478 -7.412 1.00 14.01 H new ATOM 0 HG12 ILE A 96 26.110 -2.195 -5.760 1.00 72.43 H new ATOM 0 HG13 ILE A 96 26.676 -1.842 -7.381 1.00 72.43 H new ATOM 0 HG21 ILE A 96 25.679 0.283 -8.535 1.00 62.02 H new ATOM 0 HG22 ILE A 96 24.101 0.880 -7.971 1.00 62.02 H new ATOM 0 HG23 ILE A 96 25.578 1.276 -7.062 1.00 62.02 H new ATOM 0 HD11 ILE A 96 28.229 -0.985 -5.704 1.00 4.04 H new ATOM 0 HD12 ILE A 96 27.508 0.355 -6.626 1.00 4.04 H new ATOM 0 HD13 ILE A 96 26.933 -0.004 -4.981 1.00 4.04 H new ATOM 1484 N PRO A 97 24.926 0.354 -3.384 1.00 63.51 N ATOM 1485 CA PRO A 97 24.672 -0.937 -2.753 1.00 0.10 C ATOM 1486 C PRO A 97 23.377 -0.934 -1.931 1.00 23.32 C ATOM 1487 O PRO A 97 22.458 -0.154 -2.195 1.00 21.51 O ATOM 1488 CB PRO A 97 25.892 -1.055 -1.841 1.00 2.01 C ATOM 1489 CG PRO A 97 26.126 0.348 -1.362 1.00 52.42 C ATOM 1490 CD PRO A 97 25.552 1.277 -2.421 1.00 65.31 C ATOM 0 HA PRO A 97 24.542 -1.755 -3.461 1.00 0.10 H new ATOM 0 HB2 PRO A 97 25.704 -1.734 -1.009 1.00 2.01 H new ATOM 0 HB3 PRO A 97 26.757 -1.442 -2.380 1.00 2.01 H new ATOM 0 HG2 PRO A 97 25.642 0.513 -0.400 1.00 52.42 H new ATOM 0 HG3 PRO A 97 27.190 0.535 -1.220 1.00 52.42 H new ATOM 0 HD2 PRO A 97 24.824 1.969 -1.997 1.00 65.31 H new ATOM 0 HD3 PRO A 97 26.329 1.880 -2.890 1.00 65.31 H new ATOM 1498 N THR A 98 23.311 -1.819 -0.945 1.00 22.24 N ATOM 1499 CA THR A 98 22.198 -1.868 -0.009 1.00 10.42 C ATOM 1500 C THR A 98 22.717 -2.275 1.371 1.00 11.10 C ATOM 1501 O THR A 98 23.611 -3.125 1.477 1.00 71.12 O ATOM 1502 CB THR A 98 21.103 -2.855 -0.485 1.00 61.44 C ATOM 1503 OG1 THR A 98 20.700 -2.524 -1.822 1.00 52.41 O ATOM 1504 CG2 THR A 98 19.886 -2.819 0.436 1.00 21.20 C ATOM 0 H THR A 98 24.029 -2.523 -0.772 1.00 22.24 H new ATOM 0 HA THR A 98 21.746 -0.878 0.046 1.00 10.42 H new ATOM 0 HB THR A 98 21.522 -3.861 -0.461 1.00 61.44 H new ATOM 0 HG1 THR A 98 20.268 -3.301 -2.235 1.00 52.41 H new ATOM 0 HG21 THR A 98 19.136 -3.522 0.075 1.00 21.20 H new ATOM 0 HG22 THR A 98 20.186 -3.096 1.447 1.00 21.20 H new ATOM 0 HG23 THR A 98 19.466 -1.813 0.445 1.00 21.20 H new ATOM 1512 N ILE A 99 22.186 -1.631 2.410 1.00 53.14 N ATOM 1513 CA ILE A 99 22.596 -1.883 3.790 1.00 53.43 C ATOM 1514 C ILE A 99 21.375 -2.289 4.618 1.00 41.44 C ATOM 1515 O ILE A 99 20.331 -1.649 4.527 1.00 35.03 O ATOM 1516 CB ILE A 99 23.250 -0.625 4.440 1.00 22.13 C ATOM 1517 CG1 ILE A 99 24.454 -0.110 3.620 1.00 34.53 C ATOM 1518 CG2 ILE A 99 23.679 -0.928 5.874 1.00 13.11 C ATOM 1519 CD1 ILE A 99 24.083 0.659 2.365 1.00 33.44 C ATOM 0 H ILE A 99 21.460 -0.920 2.318 1.00 53.14 H new ATOM 0 HA ILE A 99 23.336 -2.684 3.775 1.00 53.43 H new ATOM 0 HB ILE A 99 22.498 0.164 4.450 1.00 22.13 H new ATOM 0 HG12 ILE A 99 25.062 0.532 4.257 1.00 34.53 H new ATOM 0 HG13 ILE A 99 25.075 -0.960 3.339 1.00 34.53 H new ATOM 0 HG21 ILE A 99 24.133 -0.040 6.313 1.00 13.11 H new ATOM 0 HG22 ILE A 99 22.807 -1.218 6.461 1.00 13.11 H new ATOM 0 HG23 ILE A 99 24.403 -1.743 5.873 1.00 13.11 H new ATOM 0 HD11 ILE A 99 24.990 0.981 1.854 1.00 33.44 H new ATOM 0 HD12 ILE A 99 23.502 0.017 1.703 1.00 33.44 H new ATOM 0 HD13 ILE A 99 23.489 1.532 2.635 1.00 33.44 H new ATOM 1531 N LEU A 100 21.497 -3.355 5.408 1.00 73.12 N ATOM 1532 CA LEU A 100 20.399 -3.820 6.265 1.00 13.03 C ATOM 1533 C LEU A 100 20.730 -3.586 7.736 1.00 44.22 C ATOM 1534 O LEU A 100 21.889 -3.685 8.139 1.00 11.41 O ATOM 1535 CB LEU A 100 20.100 -5.311 6.032 1.00 71.23 C ATOM 1536 CG LEU A 100 19.392 -5.658 4.710 1.00 12.40 C ATOM 1537 CD1 LEU A 100 20.293 -5.387 3.506 1.00 2.31 C ATOM 1538 CD2 LEU A 100 18.928 -7.112 4.719 1.00 54.42 C ATOM 0 H LEU A 100 22.346 -3.916 5.475 1.00 73.12 H new ATOM 0 HA LEU A 100 19.511 -3.245 6.001 1.00 13.03 H new ATOM 0 HB2 LEU A 100 21.040 -5.861 6.073 1.00 71.23 H new ATOM 0 HB3 LEU A 100 19.484 -5.671 6.856 1.00 71.23 H new ATOM 0 HG LEU A 100 18.518 -5.013 4.620 1.00 12.40 H new ATOM 0 HD11 LEU A 100 19.762 -5.643 2.589 1.00 2.31 H new ATOM 0 HD12 LEU A 100 20.565 -4.332 3.485 1.00 2.31 H new ATOM 0 HD13 LEU A 100 21.196 -5.993 3.583 1.00 2.31 H new ATOM 0 HD21 LEU A 100 18.429 -7.341 3.777 1.00 54.42 H new ATOM 0 HD22 LEU A 100 19.790 -7.768 4.842 1.00 54.42 H new ATOM 0 HD23 LEU A 100 18.233 -7.267 5.544 1.00 54.42 H new ATOM 1550 N MET A 101 19.699 -3.293 8.527 1.00 2.21 N ATOM 1551 CA MET A 101 19.862 -2.971 9.948 1.00 62.13 C ATOM 1552 C MET A 101 19.182 -4.019 10.837 1.00 54.12 C ATOM 1553 O MET A 101 17.960 -4.207 10.773 1.00 3.03 O ATOM 1554 CB MET A 101 19.277 -1.580 10.233 1.00 34.31 C ATOM 1555 CG MET A 101 19.946 -0.457 9.442 1.00 13.34 C ATOM 1556 SD MET A 101 18.963 1.054 9.402 1.00 74.11 S ATOM 1557 CE MET A 101 18.693 1.351 11.144 1.00 41.34 C ATOM 0 H MET A 101 18.731 -3.271 8.205 1.00 2.21 H new ATOM 0 HA MET A 101 20.927 -2.974 10.180 1.00 62.13 H new ATOM 0 HB2 MET A 101 18.212 -1.590 10.002 1.00 34.31 H new ATOM 0 HB3 MET A 101 19.371 -1.368 11.298 1.00 34.31 H new ATOM 0 HG2 MET A 101 20.920 -0.240 9.882 1.00 13.34 H new ATOM 0 HG3 MET A 101 20.125 -0.795 8.421 1.00 13.34 H new ATOM 0 HE1 MET A 101 17.983 2.169 11.268 1.00 41.34 H new ATOM 0 HE2 MET A 101 18.293 0.450 11.609 1.00 41.34 H new ATOM 0 HE3 MET A 101 19.638 1.615 11.619 1.00 41.34 H new ATOM 1567 N PHE A 102 19.984 -4.690 11.666 1.00 65.43 N ATOM 1568 CA PHE A 102 19.493 -5.711 12.593 1.00 14.42 C ATOM 1569 C PHE A 102 19.785 -5.312 14.040 1.00 31.21 C ATOM 1570 O PHE A 102 20.750 -4.599 14.315 1.00 52.04 O ATOM 1571 CB PHE A 102 20.131 -7.074 12.284 1.00 30.42 C ATOM 1572 CG PHE A 102 19.651 -7.691 10.991 1.00 42.22 C ATOM 1573 CD1 PHE A 102 20.282 -7.406 9.787 1.00 74.43 C ATOM 1574 CD2 PHE A 102 18.564 -8.556 10.983 1.00 71.01 C ATOM 1575 CE1 PHE A 102 19.840 -7.973 8.604 1.00 43.50 C ATOM 1576 CE2 PHE A 102 18.120 -9.123 9.803 1.00 33.21 C ATOM 1577 CZ PHE A 102 18.758 -8.831 8.612 1.00 72.53 C ATOM 0 H PHE A 102 20.992 -4.541 11.713 1.00 65.43 H new ATOM 0 HA PHE A 102 18.414 -5.793 12.465 1.00 14.42 H new ATOM 0 HB2 PHE A 102 21.214 -6.957 12.240 1.00 30.42 H new ATOM 0 HB3 PHE A 102 19.918 -7.759 13.104 1.00 30.42 H new ATOM 0 HD1 PHE A 102 21.127 -6.734 9.774 1.00 74.43 H new ATOM 0 HD2 PHE A 102 18.060 -8.788 11.909 1.00 71.01 H new ATOM 0 HE1 PHE A 102 20.341 -7.744 7.675 1.00 43.50 H new ATOM 0 HE2 PHE A 102 17.274 -9.794 9.812 1.00 33.21 H new ATOM 0 HZ PHE A 102 18.411 -9.273 7.690 1.00 72.53 H new ATOM 1587 N LYS A 103 18.928 -5.769 14.950 1.00 25.22 N ATOM 1588 CA LYS A 103 19.054 -5.478 16.381 1.00 25.45 C ATOM 1589 C LYS A 103 18.152 -6.420 17.173 1.00 13.12 C ATOM 1590 O LYS A 103 16.959 -6.505 16.888 1.00 21.44 O ATOM 1591 CB LYS A 103 18.652 -4.017 16.669 1.00 1.24 C ATOM 1592 CG LYS A 103 18.423 -3.695 18.147 1.00 55.31 C ATOM 1593 CD LYS A 103 17.527 -2.467 18.328 1.00 32.15 C ATOM 1594 CE LYS A 103 18.225 -1.164 17.946 1.00 51.22 C ATOM 1595 NZ LYS A 103 19.180 -0.718 18.993 1.00 63.31 N1+ ATOM 0 H LYS A 103 18.124 -6.353 14.718 1.00 25.22 H new ATOM 0 HA LYS A 103 20.092 -5.623 16.680 1.00 25.45 H new ATOM 0 HB2 LYS A 103 19.430 -3.358 16.284 1.00 1.24 H new ATOM 0 HB3 LYS A 103 17.740 -3.790 16.116 1.00 1.24 H new ATOM 0 HG2 LYS A 103 17.967 -4.554 18.640 1.00 55.31 H new ATOM 0 HG3 LYS A 103 19.382 -3.520 18.634 1.00 55.31 H new ATOM 0 HD2 LYS A 103 16.630 -2.585 17.720 1.00 32.15 H new ATOM 0 HD3 LYS A 103 17.203 -2.409 19.367 1.00 32.15 H new ATOM 0 HE2 LYS A 103 18.757 -1.300 17.004 1.00 51.22 H new ATOM 0 HE3 LYS A 103 17.478 -0.387 17.781 1.00 51.22 H new ATOM 0 HZ1 LYS A 103 19.810 0.011 18.601 1.00 63.31 H new ATOM 0 HZ2 LYS A 103 18.653 -0.323 19.798 1.00 63.31 H new ATOM 0 HZ3 LYS A 103 19.747 -1.529 19.314 1.00 63.31 H new ATOM 1609 N ASN A 104 18.723 -7.136 18.146 1.00 1.24 N ATOM 1610 CA ASN A 104 17.940 -8.004 19.039 1.00 2.11 C ATOM 1611 C ASN A 104 17.273 -9.132 18.237 1.00 42.42 C ATOM 1612 O ASN A 104 16.239 -9.677 18.629 1.00 22.31 O ATOM 1613 CB ASN A 104 16.897 -7.160 19.805 1.00 30.41 C ATOM 1614 CG ASN A 104 16.077 -7.941 20.828 1.00 54.41 C ATOM 1615 OD1 ASN A 104 16.662 -8.965 21.428 1.00 65.24 O flip ATOM 1616 ND2 ASN A 104 14.921 -7.607 21.089 1.00 41.12 N flip ATOM 0 H ASN A 104 19.725 -7.134 18.338 1.00 1.24 H new ATOM 0 HA ASN A 104 18.605 -8.467 19.768 1.00 2.11 H new ATOM 0 HB2 ASN A 104 17.412 -6.346 20.316 1.00 30.41 H new ATOM 0 HB3 ASN A 104 16.217 -6.705 19.085 1.00 30.41 H new ATOM 0 HD21 ASN A 104 14.499 -6.812 20.608 1.00 41.12 H new ATOM 0 HD22 ASN A 104 14.386 -8.125 21.786 1.00 41.12 H new ATOM 1623 N GLY A 105 17.897 -9.490 17.115 1.00 43.21 N ATOM 1624 CA GLY A 105 17.353 -10.519 16.241 1.00 53.51 C ATOM 1625 C GLY A 105 16.173 -10.013 15.434 1.00 12.33 C ATOM 1626 O GLY A 105 15.432 -10.793 14.836 1.00 20.32 O ATOM 0 H GLY A 105 18.775 -9.083 16.794 1.00 43.21 H new ATOM 0 HA2 GLY A 105 18.132 -10.869 15.564 1.00 53.51 H new ATOM 0 HA3 GLY A 105 17.043 -11.376 16.839 1.00 53.51 H new ATOM 1630 N LYS A 106 16.008 -8.698 15.423 1.00 31.14 N ATOM 1631 CA LYS A 106 14.899 -8.046 14.736 1.00 2.24 C ATOM 1632 C LYS A 106 15.417 -7.228 13.555 1.00 12.50 C ATOM 1633 O LYS A 106 16.587 -6.832 13.531 1.00 24.13 O ATOM 1634 CB LYS A 106 14.159 -7.133 15.723 1.00 24.41 C ATOM 1635 CG LYS A 106 13.602 -7.867 16.943 1.00 45.15 C ATOM 1636 CD LYS A 106 13.382 -6.929 18.128 1.00 42.35 C ATOM 1637 CE LYS A 106 12.504 -5.736 17.773 1.00 51.24 C ATOM 1638 NZ LYS A 106 12.326 -4.820 18.931 1.00 32.34 N1+ ATOM 0 H LYS A 106 16.641 -8.050 15.892 1.00 31.14 H new ATOM 0 HA LYS A 106 14.214 -8.805 14.358 1.00 2.24 H new ATOM 0 HB2 LYS A 106 14.839 -6.351 16.060 1.00 24.41 H new ATOM 0 HB3 LYS A 106 13.339 -6.639 15.202 1.00 24.41 H new ATOM 0 HG2 LYS A 106 12.658 -8.344 16.679 1.00 45.15 H new ATOM 0 HG3 LYS A 106 14.290 -8.661 17.233 1.00 45.15 H new ATOM 0 HD2 LYS A 106 12.922 -7.484 18.946 1.00 42.35 H new ATOM 0 HD3 LYS A 106 14.347 -6.572 18.488 1.00 42.35 H new ATOM 0 HE2 LYS A 106 12.951 -5.190 16.942 1.00 51.24 H new ATOM 0 HE3 LYS A 106 11.530 -6.089 17.435 1.00 51.24 H new ATOM 0 HZ1 LYS A 106 11.723 -4.020 18.651 1.00 32.34 H new ATOM 0 HZ2 LYS A 106 11.877 -5.335 19.715 1.00 32.34 H new ATOM 0 HZ3 LYS A 106 13.254 -4.464 19.237 1.00 32.34 H new ATOM 1652 N LYS A 107 14.544 -6.984 12.581 1.00 1.15 N ATOM 1653 CA LYS A 107 14.871 -6.154 11.423 1.00 21.01 C ATOM 1654 C LYS A 107 14.272 -4.761 11.615 1.00 22.34 C ATOM 1655 O LYS A 107 13.071 -4.626 11.861 1.00 13.24 O ATOM 1656 CB LYS A 107 14.341 -6.801 10.130 1.00 4.51 C ATOM 1657 CG LYS A 107 12.829 -7.034 10.122 1.00 31.33 C ATOM 1658 CD LYS A 107 12.354 -7.733 8.849 1.00 32.52 C ATOM 1659 CE LYS A 107 12.625 -6.903 7.596 1.00 45.12 C ATOM 1660 NZ LYS A 107 11.937 -5.584 7.630 1.00 3.24 N1+ ATOM 0 H LYS A 107 13.594 -7.354 12.571 1.00 1.15 H new ATOM 0 HA LYS A 107 15.954 -6.068 11.335 1.00 21.01 H new ATOM 0 HB2 LYS A 107 14.604 -6.166 9.284 1.00 4.51 H new ATOM 0 HB3 LYS A 107 14.846 -7.756 9.981 1.00 4.51 H new ATOM 0 HG2 LYS A 107 12.552 -7.635 10.988 1.00 31.33 H new ATOM 0 HG3 LYS A 107 12.316 -6.077 10.221 1.00 31.33 H new ATOM 0 HD2 LYS A 107 12.854 -8.697 8.758 1.00 32.52 H new ATOM 0 HD3 LYS A 107 11.285 -7.934 8.925 1.00 32.52 H new ATOM 0 HE2 LYS A 107 13.699 -6.747 7.492 1.00 45.12 H new ATOM 0 HE3 LYS A 107 12.297 -7.458 6.717 1.00 45.12 H new ATOM 0 HZ1 LYS A 107 12.009 -5.131 6.697 1.00 3.24 H new ATOM 0 HZ2 LYS A 107 10.935 -5.721 7.871 1.00 3.24 H new ATOM 0 HZ3 LYS A 107 12.385 -4.977 8.346 1.00 3.24 H new ATOM 1674 N LEU A 108 15.105 -3.727 11.521 1.00 65.42 N ATOM 1675 CA LEU A 108 14.664 -2.366 11.835 1.00 72.55 C ATOM 1676 C LEU A 108 14.453 -1.530 10.574 1.00 35.35 C ATOM 1677 O LEU A 108 13.381 -0.952 10.371 1.00 3.32 O ATOM 1678 CB LEU A 108 15.688 -1.664 12.750 1.00 63.20 C ATOM 1679 CG LEU A 108 15.974 -2.351 14.095 1.00 51.42 C ATOM 1680 CD1 LEU A 108 14.680 -2.631 14.857 1.00 31.51 C ATOM 1681 CD2 LEU A 108 16.770 -3.629 13.883 1.00 21.12 C ATOM 0 H LEU A 108 16.081 -3.802 11.233 1.00 65.42 H new ATOM 0 HA LEU A 108 13.708 -2.451 12.351 1.00 72.55 H new ATOM 0 HB2 LEU A 108 16.628 -1.571 12.206 1.00 63.20 H new ATOM 0 HB3 LEU A 108 15.334 -0.653 12.950 1.00 63.20 H new ATOM 0 HG LEU A 108 16.574 -1.672 14.702 1.00 51.42 H new ATOM 0 HD11 LEU A 108 14.913 -3.117 15.804 1.00 31.51 H new ATOM 0 HD12 LEU A 108 14.161 -1.692 15.049 1.00 31.51 H new ATOM 0 HD13 LEU A 108 14.041 -3.284 14.262 1.00 31.51 H new ATOM 0 HD21 LEU A 108 16.963 -4.101 14.846 1.00 21.12 H new ATOM 0 HD22 LEU A 108 16.201 -4.311 13.252 1.00 21.12 H new ATOM 0 HD23 LEU A 108 17.717 -3.392 13.399 1.00 21.12 H new ATOM 1693 N SER A 109 15.472 -1.481 9.727 1.00 35.01 N ATOM 1694 CA SER A 109 15.478 -0.597 8.564 1.00 51.33 C ATOM 1695 C SER A 109 16.546 -1.044 7.565 1.00 15.23 C ATOM 1696 O SER A 109 17.327 -1.959 7.853 1.00 74.54 O ATOM 1697 CB SER A 109 15.727 0.853 9.008 1.00 2.34 C ATOM 1698 OG SER A 109 14.735 1.295 9.923 1.00 22.32 O ATOM 0 H SER A 109 16.314 -2.048 9.823 1.00 35.01 H new ATOM 0 HA SER A 109 14.506 -0.649 8.074 1.00 51.33 H new ATOM 0 HB2 SER A 109 16.711 0.929 9.472 1.00 2.34 H new ATOM 0 HB3 SER A 109 15.735 1.506 8.135 1.00 2.34 H new ATOM 0 HG SER A 109 13.973 0.679 9.902 1.00 22.32 H new ATOM 1704 N GLN A 110 16.556 -0.427 6.384 1.00 25.24 N ATOM 1705 CA GLN A 110 17.526 -0.763 5.343 1.00 61.42 C ATOM 1706 C GLN A 110 17.880 0.475 4.508 1.00 23.45 C ATOM 1707 O GLN A 110 16.997 1.174 4.000 1.00 60.52 O ATOM 1708 CB GLN A 110 16.995 -1.902 4.440 1.00 41.22 C ATOM 1709 CG GLN A 110 15.761 -1.555 3.600 1.00 73.01 C ATOM 1710 CD GLN A 110 14.541 -1.184 4.432 1.00 72.02 C ATOM 1711 OE1 GLN A 110 14.378 0.102 4.694 1.00 70.22 O flip ATOM 1712 NE2 GLN A 110 13.744 -2.043 4.819 1.00 75.32 N flip ATOM 0 H GLN A 110 15.901 0.310 6.124 1.00 25.24 H new ATOM 0 HA GLN A 110 18.435 -1.115 5.830 1.00 61.42 H new ATOM 0 HB2 GLN A 110 17.795 -2.213 3.768 1.00 41.22 H new ATOM 0 HB3 GLN A 110 16.756 -2.760 5.069 1.00 41.22 H new ATOM 0 HG2 GLN A 110 16.005 -0.724 2.938 1.00 73.01 H new ATOM 0 HG3 GLN A 110 15.513 -2.406 2.966 1.00 73.01 H new ATOM 0 HE21 GLN A 110 13.905 -3.025 4.596 1.00 75.32 H new ATOM 0 HE22 GLN A 110 12.924 -1.771 5.362 1.00 75.32 H new ATOM 1721 N VAL A 111 19.178 0.747 4.390 1.00 64.25 N ATOM 1722 CA VAL A 111 19.674 1.866 3.596 1.00 3.24 C ATOM 1723 C VAL A 111 19.726 1.474 2.118 1.00 24.33 C ATOM 1724 O VAL A 111 20.567 0.670 1.705 1.00 55.52 O ATOM 1725 CB VAL A 111 21.085 2.319 4.069 1.00 61.41 C ATOM 1726 CG1 VAL A 111 21.612 3.477 3.217 1.00 34.42 C ATOM 1727 CG2 VAL A 111 21.060 2.699 5.551 1.00 25.03 C ATOM 0 H VAL A 111 19.912 0.200 4.840 1.00 64.25 H new ATOM 0 HA VAL A 111 18.988 2.702 3.730 1.00 3.24 H new ATOM 0 HB VAL A 111 21.767 1.479 3.942 1.00 61.41 H new ATOM 0 HG11 VAL A 111 22.600 3.770 3.573 1.00 34.42 H new ATOM 0 HG12 VAL A 111 21.680 3.161 2.176 1.00 34.42 H new ATOM 0 HG13 VAL A 111 20.932 4.325 3.295 1.00 34.42 H new ATOM 0 HG21 VAL A 111 22.056 3.013 5.863 1.00 25.03 H new ATOM 0 HG22 VAL A 111 20.357 3.517 5.705 1.00 25.03 H new ATOM 0 HG23 VAL A 111 20.749 1.838 6.142 1.00 25.03 H new ATOM 1737 N ILE A 112 18.803 2.024 1.336 1.00 32.40 N ATOM 1738 CA ILE A 112 18.736 1.759 -0.096 1.00 75.11 C ATOM 1739 C ILE A 112 19.190 2.987 -0.879 1.00 11.20 C ATOM 1740 O ILE A 112 18.550 4.042 -0.821 1.00 4.23 O ATOM 1741 CB ILE A 112 17.298 1.369 -0.535 1.00 2.44 C ATOM 1742 CG1 ILE A 112 16.837 0.099 0.206 1.00 3.54 C ATOM 1743 CG2 ILE A 112 17.229 1.168 -2.051 1.00 24.42 C ATOM 1744 CD1 ILE A 112 15.430 -0.344 -0.149 1.00 72.21 C ATOM 0 H ILE A 112 18.084 2.663 1.675 1.00 32.40 H new ATOM 0 HA ILE A 112 19.399 0.921 -0.308 1.00 75.11 H new ATOM 0 HB ILE A 112 16.624 2.185 -0.272 1.00 2.44 H new ATOM 0 HG12 ILE A 112 17.530 -0.712 -0.018 1.00 3.54 H new ATOM 0 HG13 ILE A 112 16.891 0.277 1.280 1.00 3.54 H new ATOM 0 HG21 ILE A 112 16.213 0.895 -2.336 1.00 24.42 H new ATOM 0 HG22 ILE A 112 17.511 2.093 -2.554 1.00 24.42 H new ATOM 0 HG23 ILE A 112 17.914 0.372 -2.344 1.00 24.42 H new ATOM 0 HD11 ILE A 112 15.179 -1.244 0.413 1.00 72.21 H new ATOM 0 HD12 ILE A 112 14.725 0.449 0.101 1.00 72.21 H new ATOM 0 HD13 ILE A 112 15.374 -0.556 -1.217 1.00 72.21 H new ATOM 1756 N GLY A 113 20.300 2.846 -1.595 1.00 22.01 N ATOM 1757 CA GLY A 113 20.825 3.938 -2.392 1.00 51.03 C ATOM 1758 C GLY A 113 21.757 4.828 -1.596 1.00 65.23 C ATOM 1759 O GLY A 113 22.608 4.335 -0.856 1.00 74.41 O ATOM 0 H GLY A 113 20.849 1.987 -1.637 1.00 22.01 H new ATOM 0 HA2 GLY A 113 21.358 3.534 -3.253 1.00 51.03 H new ATOM 0 HA3 GLY A 113 19.998 4.534 -2.779 1.00 51.03 H new ATOM 1763 N ALA A 114 21.596 6.140 -1.744 1.00 55.14 N ATOM 1764 CA ALA A 114 22.443 7.106 -1.054 1.00 60.15 C ATOM 1765 C ALA A 114 21.645 8.353 -0.675 1.00 13.40 C ATOM 1766 O ALA A 114 21.730 9.391 -1.336 1.00 4.53 O ATOM 1767 CB ALA A 114 23.647 7.470 -1.919 1.00 71.33 C ATOM 0 H ALA A 114 20.882 6.560 -2.339 1.00 55.14 H new ATOM 0 HA ALA A 114 22.808 6.650 -0.134 1.00 60.15 H new ATOM 0 HB1 ALA A 114 24.270 8.192 -1.391 1.00 71.33 H new ATOM 0 HB2 ALA A 114 24.229 6.573 -2.128 1.00 71.33 H new ATOM 0 HB3 ALA A 114 23.303 7.906 -2.857 1.00 71.33 H new ATOM 1773 N ASP A 115 20.847 8.230 0.380 1.00 2.01 N ATOM 1774 CA ASP A 115 20.013 9.331 0.862 1.00 2.41 C ATOM 1775 C ASP A 115 20.316 9.607 2.330 1.00 2.03 C ATOM 1776 O ASP A 115 19.711 9.005 3.215 1.00 11.01 O ATOM 1777 CB ASP A 115 18.518 9.002 0.696 1.00 24.00 C ATOM 1778 CG ASP A 115 18.071 8.911 -0.756 1.00 35.04 C ATOM 1779 OD1 ASP A 115 18.542 8.008 -1.478 1.00 62.44 O ATOM 1780 OD2 ASP A 115 17.213 9.718 -1.175 1.00 1.24 O1- ATOM 0 H ASP A 115 20.758 7.372 0.924 1.00 2.01 H new ATOM 0 HA ASP A 115 20.241 10.217 0.269 1.00 2.41 H new ATOM 0 HB2 ASP A 115 18.306 8.055 1.193 1.00 24.00 H new ATOM 0 HB3 ASP A 115 17.928 9.766 1.202 1.00 24.00 H new ATOM 1785 N ILE A 116 21.262 10.511 2.583 1.00 1.14 N ATOM 1786 CA ILE A 116 21.698 10.816 3.949 1.00 51.40 C ATOM 1787 C ILE A 116 20.506 11.205 4.839 1.00 22.21 C ATOM 1788 O ILE A 116 20.406 10.767 5.987 1.00 73.12 O ATOM 1789 CB ILE A 116 22.774 11.940 3.957 1.00 32.34 C ATOM 1790 CG1 ILE A 116 23.222 12.276 5.394 1.00 63.51 C ATOM 1791 CG2 ILE A 116 22.266 13.190 3.239 1.00 22.30 C ATOM 1792 CD1 ILE A 116 23.982 11.156 6.080 1.00 43.01 C ATOM 0 H ILE A 116 21.743 11.046 1.860 1.00 1.14 H new ATOM 0 HA ILE A 116 22.147 9.912 4.359 1.00 51.40 H new ATOM 0 HB ILE A 116 23.644 11.568 3.415 1.00 32.34 H new ATOM 0 HG12 ILE A 116 23.851 13.166 5.369 1.00 63.51 H new ATOM 0 HG13 ILE A 116 22.343 12.523 5.989 1.00 63.51 H new ATOM 0 HG21 ILE A 116 23.037 13.960 3.259 1.00 22.30 H new ATOM 0 HG22 ILE A 116 22.026 12.943 2.205 1.00 22.30 H new ATOM 0 HG23 ILE A 116 21.371 13.559 3.740 1.00 22.30 H new ATOM 0 HD11 ILE A 116 24.262 11.469 7.086 1.00 43.01 H new ATOM 0 HD12 ILE A 116 23.350 10.270 6.139 1.00 43.01 H new ATOM 0 HD13 ILE A 116 24.881 10.923 5.509 1.00 43.01 H new ATOM 1804 N SER A 117 19.591 11.999 4.285 1.00 12.33 N ATOM 1805 CA SER A 117 18.393 12.441 5.004 1.00 11.20 C ATOM 1806 C SER A 117 17.545 11.241 5.455 1.00 52.01 C ATOM 1807 O SER A 117 16.935 11.257 6.528 1.00 71.15 O ATOM 1808 CB SER A 117 17.567 13.376 4.104 1.00 2.31 C ATOM 1809 OG SER A 117 16.373 13.802 4.740 1.00 64.34 O ATOM 0 H SER A 117 19.657 12.353 3.331 1.00 12.33 H new ATOM 0 HA SER A 117 18.703 12.983 5.898 1.00 11.20 H new ATOM 0 HB2 SER A 117 18.167 14.246 3.837 1.00 2.31 H new ATOM 0 HB3 SER A 117 17.320 12.862 3.175 1.00 2.31 H new ATOM 0 HG SER A 117 15.876 14.395 4.139 1.00 64.34 H new ATOM 1815 N LYS A 118 17.531 10.200 4.634 1.00 70.20 N ATOM 1816 CA LYS A 118 16.748 8.997 4.904 1.00 41.12 C ATOM 1817 C LYS A 118 17.465 8.100 5.918 1.00 64.21 C ATOM 1818 O LYS A 118 16.854 7.608 6.878 1.00 24.22 O ATOM 1819 CB LYS A 118 16.493 8.267 3.570 1.00 44.23 C ATOM 1820 CG LYS A 118 15.990 6.823 3.676 1.00 71.04 C ATOM 1821 CD LYS A 118 17.081 5.826 3.274 1.00 10.32 C ATOM 1822 CE LYS A 118 16.518 4.450 2.927 1.00 40.44 C ATOM 1823 NZ LYS A 118 15.913 3.767 4.099 1.00 34.52 N1+ ATOM 0 H LYS A 118 18.060 10.163 3.763 1.00 70.20 H new ATOM 0 HA LYS A 118 15.789 9.266 5.348 1.00 41.12 H new ATOM 0 HB2 LYS A 118 15.765 8.842 2.998 1.00 44.23 H new ATOM 0 HB3 LYS A 118 17.420 8.266 2.997 1.00 44.23 H new ATOM 0 HG2 LYS A 118 15.668 6.621 4.698 1.00 71.04 H new ATOM 0 HG3 LYS A 118 15.118 6.691 3.035 1.00 71.04 H new ATOM 0 HD2 LYS A 118 17.628 6.218 2.417 1.00 10.32 H new ATOM 0 HD3 LYS A 118 17.796 5.727 4.090 1.00 10.32 H new ATOM 0 HE2 LYS A 118 15.766 4.556 2.145 1.00 40.44 H new ATOM 0 HE3 LYS A 118 17.315 3.828 2.520 1.00 40.44 H new ATOM 0 HZ1 LYS A 118 16.518 2.972 4.388 1.00 34.52 H new ATOM 0 HZ2 LYS A 118 15.827 4.440 4.887 1.00 34.52 H new ATOM 0 HZ3 LYS A 118 14.970 3.410 3.844 1.00 34.52 H new ATOM 1837 N ILE A 119 18.770 7.929 5.730 1.00 25.11 N ATOM 1838 CA ILE A 119 19.547 7.028 6.576 1.00 13.02 C ATOM 1839 C ILE A 119 19.613 7.550 8.010 1.00 22.40 C ATOM 1840 O ILE A 119 19.530 6.776 8.961 1.00 50.22 O ATOM 1841 CB ILE A 119 20.977 6.779 6.010 1.00 61.20 C ATOM 1842 CG1 ILE A 119 21.918 7.978 6.243 1.00 50.52 C ATOM 1843 CG2 ILE A 119 20.902 6.448 4.523 1.00 71.22 C ATOM 1844 CD1 ILE A 119 22.797 7.841 7.472 1.00 14.11 C ATOM 0 H ILE A 119 19.310 8.399 5.004 1.00 25.11 H new ATOM 0 HA ILE A 119 19.032 6.068 6.581 1.00 13.02 H new ATOM 0 HB ILE A 119 21.397 5.931 6.552 1.00 61.20 H new ATOM 0 HG12 ILE A 119 22.553 8.104 5.366 1.00 50.52 H new ATOM 0 HG13 ILE A 119 21.319 8.884 6.336 1.00 50.52 H new ATOM 0 HG21 ILE A 119 21.907 6.276 4.137 1.00 71.22 H new ATOM 0 HG22 ILE A 119 20.300 5.551 4.380 1.00 71.22 H new ATOM 0 HG23 ILE A 119 20.446 7.281 3.987 1.00 71.22 H new ATOM 0 HD11 ILE A 119 23.430 8.724 7.567 1.00 14.11 H new ATOM 0 HD12 ILE A 119 22.170 7.746 8.359 1.00 14.11 H new ATOM 0 HD13 ILE A 119 23.423 6.954 7.374 1.00 14.11 H new ATOM 1856 N ILE A 120 19.741 8.868 8.173 1.00 42.30 N ATOM 1857 CA ILE A 120 19.755 9.453 9.511 1.00 75.31 C ATOM 1858 C ILE A 120 18.386 9.291 10.159 1.00 21.33 C ATOM 1859 O ILE A 120 18.277 9.116 11.370 1.00 42.51 O ATOM 1860 CB ILE A 120 20.201 10.949 9.519 1.00 43.40 C ATOM 1861 CG1 ILE A 120 19.265 11.848 8.680 1.00 64.10 C ATOM 1862 CG2 ILE A 120 21.643 11.072 9.029 1.00 23.12 C ATOM 1863 CD1 ILE A 120 18.056 12.376 9.433 1.00 14.44 C ATOM 0 H ILE A 120 19.835 9.538 7.410 1.00 42.30 H new ATOM 0 HA ILE A 120 20.501 8.912 10.093 1.00 75.31 H new ATOM 0 HB ILE A 120 20.139 11.300 10.549 1.00 43.40 H new ATOM 0 HG12 ILE A 120 19.839 12.694 8.301 1.00 64.10 H new ATOM 0 HG13 ILE A 120 18.920 11.283 7.814 1.00 64.10 H new ATOM 0 HG21 ILE A 120 21.943 12.120 9.039 1.00 23.12 H new ATOM 0 HG22 ILE A 120 22.300 10.500 9.685 1.00 23.12 H new ATOM 0 HG23 ILE A 120 21.717 10.683 8.013 1.00 23.12 H new ATOM 0 HD11 ILE A 120 17.456 12.997 8.768 1.00 14.44 H new ATOM 0 HD12 ILE A 120 17.455 11.539 9.789 1.00 14.44 H new ATOM 0 HD13 ILE A 120 18.388 12.972 10.283 1.00 14.44 H new ATOM 1875 N SER A 121 17.344 9.312 9.331 1.00 1.22 N ATOM 1876 CA SER A 121 15.977 9.189 9.812 1.00 62.24 C ATOM 1877 C SER A 121 15.741 7.787 10.376 1.00 54.44 C ATOM 1878 O SER A 121 15.201 7.629 11.474 1.00 1.30 O ATOM 1879 CB SER A 121 14.994 9.488 8.669 1.00 43.55 C ATOM 1880 OG SER A 121 13.642 9.448 9.106 1.00 12.24 O ATOM 0 H SER A 121 17.425 9.414 8.319 1.00 1.22 H new ATOM 0 HA SER A 121 15.812 9.911 10.611 1.00 62.24 H new ATOM 0 HB2 SER A 121 15.211 10.471 8.252 1.00 43.55 H new ATOM 0 HB3 SER A 121 15.138 8.763 7.868 1.00 43.55 H new ATOM 0 HG SER A 121 13.048 9.645 8.351 1.00 12.24 H new ATOM 1886 N GLU A 122 16.166 6.770 9.626 1.00 41.24 N ATOM 1887 CA GLU A 122 15.942 5.383 10.030 1.00 4.03 C ATOM 1888 C GLU A 122 16.910 4.950 11.137 1.00 72.25 C ATOM 1889 O GLU A 122 16.503 4.298 12.098 1.00 74.32 O ATOM 1890 CB GLU A 122 16.034 4.451 8.815 1.00 11.25 C ATOM 1891 CG GLU A 122 17.407 4.398 8.157 1.00 55.04 C ATOM 1892 CD GLU A 122 17.371 3.731 6.793 1.00 45.45 C ATOM 1893 OE1 GLU A 122 16.680 2.702 6.642 1.00 31.02 O ATOM 1894 OE2 GLU A 122 18.008 4.243 5.854 1.00 44.13 O1- ATOM 0 H GLU A 122 16.663 6.879 8.742 1.00 41.24 H new ATOM 0 HA GLU A 122 14.936 5.313 10.443 1.00 4.03 H new ATOM 0 HB2 GLU A 122 15.755 3.444 9.125 1.00 11.25 H new ATOM 0 HB3 GLU A 122 15.302 4.770 8.073 1.00 11.25 H new ATOM 0 HG2 GLU A 122 17.796 5.411 8.053 1.00 55.04 H new ATOM 0 HG3 GLU A 122 18.097 3.857 8.805 1.00 55.04 H new ATOM 1901 N ILE A 123 18.179 5.327 11.020 1.00 5.44 N ATOM 1902 CA ILE A 123 19.182 4.939 12.012 1.00 20.54 C ATOM 1903 C ILE A 123 18.898 5.593 13.365 1.00 64.33 C ATOM 1904 O ILE A 123 18.798 4.904 14.383 1.00 13.41 O ATOM 1905 CB ILE A 123 20.621 5.279 11.545 1.00 51.23 C ATOM 1906 CG1 ILE A 123 20.983 4.438 10.302 1.00 22.22 C ATOM 1907 CG2 ILE A 123 21.631 5.045 12.673 1.00 72.53 C ATOM 1908 CD1 ILE A 123 22.366 4.714 9.747 1.00 41.00 C ATOM 0 H ILE A 123 18.538 5.897 10.254 1.00 5.44 H new ATOM 0 HA ILE A 123 19.115 3.857 12.124 1.00 20.54 H new ATOM 0 HB ILE A 123 20.661 6.335 11.277 1.00 51.23 H new ATOM 0 HG12 ILE A 123 20.911 3.381 10.559 1.00 22.22 H new ATOM 0 HG13 ILE A 123 20.246 4.628 9.522 1.00 22.22 H new ATOM 0 HG21 ILE A 123 22.633 5.290 12.321 1.00 72.53 H new ATOM 0 HG22 ILE A 123 21.380 5.679 13.524 1.00 72.53 H new ATOM 0 HG23 ILE A 123 21.600 3.999 12.978 1.00 72.53 H new ATOM 0 HD11 ILE A 123 22.541 4.083 8.876 1.00 41.00 H new ATOM 0 HD12 ILE A 123 22.439 5.762 9.456 1.00 41.00 H new ATOM 0 HD13 ILE A 123 23.114 4.496 10.509 1.00 41.00 H new ATOM 1920 N ASN A 124 18.728 6.914 13.368 1.00 72.01 N ATOM 1921 CA ASN A 124 18.471 7.655 14.611 1.00 64.52 C ATOM 1922 C ASN A 124 17.155 7.211 15.253 1.00 52.12 C ATOM 1923 O ASN A 124 16.931 7.419 16.445 1.00 15.15 O ATOM 1924 CB ASN A 124 18.447 9.171 14.359 1.00 15.21 C ATOM 1925 CG ASN A 124 19.810 9.733 13.980 1.00 11.30 C ATOM 1926 OD1 ASN A 124 20.847 9.186 14.351 1.00 11.11 O ATOM 1927 ND2 ASN A 124 19.817 10.840 13.252 1.00 34.31 N ATOM 0 H ASN A 124 18.763 7.495 12.530 1.00 72.01 H new ATOM 0 HA ASN A 124 19.287 7.431 15.298 1.00 64.52 H new ATOM 0 HB2 ASN A 124 17.736 9.390 13.563 1.00 15.21 H new ATOM 0 HB3 ASN A 124 18.088 9.677 15.255 1.00 15.21 H new ATOM 0 HD21 ASN A 124 20.703 11.267 12.981 1.00 34.31 H new ATOM 0 HD22 ASN A 124 18.936 11.266 12.963 1.00 34.31 H new ATOM 1934 N ASN A 125 16.290 6.602 14.450 1.00 0.24 N ATOM 1935 CA ASN A 125 15.019 6.062 14.935 1.00 50.24 C ATOM 1936 C ASN A 125 15.264 4.855 15.847 1.00 60.23 C ATOM 1937 O ASN A 125 14.539 4.639 16.821 1.00 53.12 O ATOM 1938 CB ASN A 125 14.138 5.654 13.736 1.00 21.42 C ATOM 1939 CG ASN A 125 12.743 5.150 14.115 1.00 2.14 C ATOM 1940 OD1 ASN A 125 12.524 4.586 15.187 1.00 52.11 O ATOM 1941 ND2 ASN A 125 11.786 5.331 13.215 1.00 51.12 N ATOM 0 H ASN A 125 16.445 6.468 13.451 1.00 0.24 H new ATOM 0 HA ASN A 125 14.505 6.830 15.512 1.00 50.24 H new ATOM 0 HB2 ASN A 125 14.032 6.511 13.071 1.00 21.42 H new ATOM 0 HB3 ASN A 125 14.651 4.875 13.173 1.00 21.42 H new ATOM 0 HD21 ASN A 125 10.840 4.999 13.403 1.00 51.12 H new ATOM 0 HD22 ASN A 125 11.996 5.802 12.335 1.00 51.12 H new ATOM 1948 N ASN A 126 16.305 4.083 15.534 1.00 52.11 N ATOM 1949 CA ASN A 126 16.561 2.813 16.219 1.00 71.15 C ATOM 1950 C ASN A 126 17.705 2.914 17.230 1.00 45.12 C ATOM 1951 O ASN A 126 17.957 1.964 17.974 1.00 25.42 O ATOM 1952 CB ASN A 126 16.862 1.708 15.195 1.00 1.13 C ATOM 1953 CG ASN A 126 15.679 1.424 14.286 1.00 73.11 C ATOM 1954 OD1 ASN A 126 14.778 0.664 14.640 1.00 34.32 O ATOM 1955 ND2 ASN A 126 15.677 2.013 13.102 1.00 65.55 N ATOM 0 H ASN A 126 16.986 4.314 14.810 1.00 52.11 H new ATOM 0 HA ASN A 126 15.658 2.562 16.775 1.00 71.15 H new ATOM 0 HB2 ASN A 126 17.720 2.001 14.590 1.00 1.13 H new ATOM 0 HB3 ASN A 126 17.140 0.795 15.721 1.00 1.13 H new ATOM 0 HD21 ASN A 126 14.912 1.843 12.449 1.00 65.55 H new ATOM 0 HD22 ASN A 126 16.440 2.637 12.842 1.00 65.55 H new ATOM 1962 N ILE A 127 18.413 4.040 17.244 1.00 24.22 N ATOM 1963 CA ILE A 127 19.457 4.281 18.246 1.00 31.24 C ATOM 1964 C ILE A 127 19.408 5.723 18.737 1.00 71.04 C ATOM 1965 O ILE A 127 18.723 6.564 18.155 1.00 13.31 O ATOM 1966 CB ILE A 127 20.887 3.973 17.723 1.00 44.43 C ATOM 1967 CG1 ILE A 127 21.210 4.811 16.476 1.00 53.14 C ATOM 1968 CG2 ILE A 127 21.053 2.481 17.434 1.00 2.03 C ATOM 1969 CD1 ILE A 127 22.662 4.742 16.065 1.00 21.45 C ATOM 0 H ILE A 127 18.286 4.801 16.576 1.00 24.22 H new ATOM 0 HA ILE A 127 19.249 3.594 19.067 1.00 31.24 H new ATOM 0 HB ILE A 127 21.596 4.247 18.505 1.00 44.43 H new ATOM 0 HG12 ILE A 127 20.589 4.470 15.648 1.00 53.14 H new ATOM 0 HG13 ILE A 127 20.943 5.850 16.667 1.00 53.14 H new ATOM 0 HG21 ILE A 127 22.062 2.291 17.069 1.00 2.03 H new ATOM 0 HG22 ILE A 127 20.885 1.912 18.349 1.00 2.03 H new ATOM 0 HG23 ILE A 127 20.330 2.174 16.678 1.00 2.03 H new ATOM 0 HD11 ILE A 127 22.819 5.356 15.178 1.00 21.45 H new ATOM 0 HD12 ILE A 127 23.288 5.111 16.877 1.00 21.45 H new ATOM 0 HD13 ILE A 127 22.928 3.709 15.842 1.00 21.45 H new ATOM 1981 N ASN A 128 20.131 5.995 19.816 1.00 31.31 N ATOM 1982 CA ASN A 128 20.150 7.322 20.427 1.00 11.20 C ATOM 1983 C ASN A 128 21.136 8.248 19.706 1.00 3.50 C ATOM 1984 O ASN A 128 20.679 9.114 18.933 1.00 11.02 O ATOM 1985 CB ASN A 128 20.469 7.230 21.937 1.00 74.44 C ATOM 1986 CG ASN A 128 21.498 6.161 22.309 1.00 51.35 C ATOM 1987 OD1 ASN A 128 21.434 5.589 23.400 1.00 31.03 O ATOM 1988 ND2 ASN A 128 22.450 5.876 21.431 1.00 33.10 N ATOM 1989 OXT ASN A 128 22.356 8.108 19.913 1.00 0.00 O1- ATOM 0 H ASN A 128 20.717 5.309 20.291 1.00 31.31 H new ATOM 0 HA ASN A 128 19.155 7.755 20.322 1.00 11.20 H new ATOM 0 HB2 ASN A 128 20.833 8.199 22.277 1.00 74.44 H new ATOM 0 HB3 ASN A 128 19.544 7.029 22.478 1.00 74.44 H new ATOM 0 HD21 ASN A 128 23.152 5.169 21.651 1.00 33.10 H new ATOM 0 HD22 ASN A 128 22.481 6.364 20.536 1.00 33.10 H new TER 1996 ASN A 128