USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 792 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 4 GLN : amide:sc= -4.43! C(o=-4.4!,f=-5.2!) USER MOD Set 1.2: A 26 TYR OH : rot 100:sc= 0.00355 USER MOD Set 2.1: A 17 GLN :FLIP amide:sc= -0.112 F(o=0.23,f=1.1) USER MOD Set 2.2: A 19 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.11) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.266 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -107:sc= -0.106 (180deg=-0.768) USER MOD Single : A 7 THR OG1 : rot -56:sc= 0.673 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -112:sc= 0.63 USER MOD Single : A 30 CYS SG : rot -150:sc= -2.12 USER MOD Single : A 33 CYS SG : rot -116:sc= 0.946 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0436 (180deg=-0.319) USER MOD Single : A 35 MET CE :methyl -171:sc= -1.83! (180deg=-1.95!) USER MOD Single : A 39 MET CE :methyl 169:sc= -5.06! (180deg=-6.44!) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.04) USER MOD Single : A 44 SER OG : rot -140:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.3!) USER MOD Single : A 47 TYR OH : rot -115:sc= -2.22! USER MOD Single : A 49 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 53 TYR OH : rot 148:sc= 0.512 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= -2.03! (180deg=-2.05!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.068 F(o=-1.7,f=-0.068) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 1.35 (180deg=1.01) USER MOD Single : A 67 ASN :FLIP amide:sc= -3.58 F(o=-5.7!,f=-3.6) USER MOD Single : A 70 SER OG : rot -37:sc= 0.544 USER MOD Single : A 72 MET CE :methyl 147:sc= -0.382 (180deg=-0.762) USER MOD Single : A 74 THR OG1 : rot 87:sc= 0.0693 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.844 F(o=-1.9,f=-0.84) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0.398 (180deg=0.304) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.542 F(o=-1.7!,f=-0.54) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.93) USER MOD Single : A 102 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.326 -6.830 10.834 1.00 0.00 N ATOM 2 CA MET A 1 -4.545 -5.596 11.064 1.00 0.00 C ATOM 3 C MET A 1 -3.455 -5.455 10.012 1.00 0.00 C ATOM 4 O MET A 1 -2.727 -6.405 9.735 1.00 0.00 O ATOM 5 CB MET A 1 -3.923 -5.615 12.460 1.00 0.00 C ATOM 6 CG MET A 1 -3.078 -4.387 12.767 1.00 0.00 C ATOM 7 SD MET A 1 -2.540 -4.332 14.487 1.00 0.00 S ATOM 8 CE MET A 1 -4.125 -4.248 15.317 1.00 0.00 C ATOM 0 H1 MET A 1 -6.066 -6.913 11.560 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.767 -6.792 9.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.695 -7.655 10.887 1.00 0.00 H new ATOM 0 HA MET A 1 -5.218 -4.742 10.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.718 -5.694 13.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.304 -6.506 12.561 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.204 -4.379 12.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.652 -3.489 12.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.056 -3.567 16.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.881 -3.885 14.621 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.404 -5.241 15.670 1.00 0.00 H new ATOM 20 N VAL A 2 -3.358 -4.273 9.430 1.00 0.00 N ATOM 21 CA VAL A 2 -2.366 -3.987 8.417 1.00 0.00 C ATOM 22 C VAL A 2 -1.068 -3.512 9.069 1.00 0.00 C ATOM 23 O VAL A 2 -1.082 -2.646 9.943 1.00 0.00 O ATOM 24 CB VAL A 2 -2.903 -2.932 7.429 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.868 -2.581 6.380 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.175 -3.436 6.775 1.00 0.00 C ATOM 0 H VAL A 2 -3.967 -3.485 9.649 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.154 -4.900 7.860 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.126 -2.023 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.278 -1.835 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.979 -2.179 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.601 -3.476 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.548 -2.685 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.965 -4.359 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.927 -3.626 7.541 1.00 0.00 H new ATOM 36 N THR A 3 0.042 -4.092 8.641 1.00 0.00 N ATOM 37 CA THR A 3 1.326 -3.902 9.311 1.00 0.00 C ATOM 38 C THR A 3 2.027 -2.616 8.875 1.00 0.00 C ATOM 39 O THR A 3 2.042 -2.262 7.702 1.00 0.00 O ATOM 40 CB THR A 3 2.247 -5.107 9.043 1.00 0.00 C ATOM 41 OG1 THR A 3 1.528 -6.323 9.285 1.00 0.00 O ATOM 42 CG2 THR A 3 3.486 -5.068 9.926 1.00 0.00 C ATOM 0 H THR A 3 0.083 -4.704 7.826 1.00 0.00 H new ATOM 0 HA THR A 3 1.119 -3.820 10.378 1.00 0.00 H new ATOM 0 HB THR A 3 2.569 -5.061 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.114 -7.089 9.113 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.114 -5.933 9.711 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.046 -4.154 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.187 -5.089 10.974 1.00 0.00 H new ATOM 50 N GLN A 4 2.617 -1.939 9.846 1.00 0.00 N ATOM 51 CA GLN A 4 3.293 -0.669 9.632 1.00 0.00 C ATOM 52 C GLN A 4 4.774 -0.881 9.306 1.00 0.00 C ATOM 53 O GLN A 4 5.427 -1.733 9.906 1.00 0.00 O ATOM 54 CB GLN A 4 3.167 0.160 10.906 1.00 0.00 C ATOM 55 CG GLN A 4 3.660 1.593 10.771 1.00 0.00 C ATOM 56 CD GLN A 4 2.931 2.381 9.699 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.495 3.293 9.098 1.00 0.00 O ATOM 58 NE2 GLN A 4 1.674 2.045 9.458 1.00 0.00 N ATOM 0 H GLN A 4 2.641 -2.258 10.815 1.00 0.00 H new ATOM 0 HA GLN A 4 2.832 -0.156 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.121 0.175 11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.727 -0.331 11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.543 2.101 11.728 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.726 1.583 10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.241 1.282 9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.138 2.549 8.752 1.00 0.00 H new ATOM 67 N PHE A 5 5.289 -0.115 8.352 1.00 0.00 N ATOM 68 CA PHE A 5 6.724 -0.087 8.058 1.00 0.00 C ATOM 69 C PHE A 5 7.385 1.074 8.791 1.00 0.00 C ATOM 70 O PHE A 5 6.710 2.014 9.218 1.00 0.00 O ATOM 71 CB PHE A 5 6.976 0.115 6.563 1.00 0.00 C ATOM 72 CG PHE A 5 6.612 -1.039 5.677 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.777 -2.347 6.100 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.126 -0.805 4.400 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.461 -3.398 5.265 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.814 -1.853 3.562 1.00 0.00 C ATOM 77 CZ PHE A 5 5.982 -3.150 3.994 1.00 0.00 C ATOM 0 H PHE A 5 4.731 0.502 7.761 1.00 0.00 H new ATOM 0 HA PHE A 5 7.140 -1.042 8.381 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.416 0.991 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.033 0.340 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.156 -2.546 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.990 0.210 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.588 -4.415 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.438 -1.658 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.739 -3.973 3.338 1.00 0.00 H new ATOM 87 N LYS A 6 8.703 1.011 8.936 1.00 0.00 N ATOM 88 CA LYS A 6 9.461 2.150 9.427 1.00 0.00 C ATOM 89 C LYS A 6 10.708 2.369 8.567 1.00 0.00 C ATOM 90 O LYS A 6 11.452 3.322 8.776 1.00 0.00 O ATOM 91 CB LYS A 6 9.850 1.953 10.900 1.00 0.00 C ATOM 92 CG LYS A 6 11.122 1.142 11.108 1.00 0.00 C ATOM 93 CD LYS A 6 11.277 0.690 12.550 1.00 0.00 C ATOM 94 CE LYS A 6 10.282 -0.407 12.896 1.00 0.00 C ATOM 95 NZ LYS A 6 10.447 -1.597 12.018 1.00 0.00 N ATOM 0 H LYS A 6 9.265 0.187 8.721 1.00 0.00 H new ATOM 0 HA LYS A 6 8.831 3.037 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.976 2.931 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.028 1.458 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.108 0.270 10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.986 1.742 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.292 0.328 12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.131 1.540 13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.413 -0.702 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.267 -0.021 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.658 -1.642 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.345 -1.523 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.454 -2.459 12.600 1.00 0.00 H new ATOM 109 N THR A 7 10.934 1.476 7.600 1.00 0.00 N ATOM 110 CA THR A 7 12.096 1.581 6.721 1.00 0.00 C ATOM 111 C THR A 7 11.747 1.181 5.289 1.00 0.00 C ATOM 112 O THR A 7 10.763 0.473 5.049 1.00 0.00 O ATOM 113 CB THR A 7 13.259 0.693 7.216 1.00 0.00 C ATOM 114 OG1 THR A 7 12.770 -0.610 7.562 1.00 0.00 O ATOM 115 CG2 THR A 7 13.965 1.314 8.411 1.00 0.00 C ATOM 0 H THR A 7 10.330 0.677 7.408 1.00 0.00 H new ATOM 0 HA THR A 7 12.408 2.625 6.739 1.00 0.00 H new ATOM 0 HB THR A 7 13.982 0.607 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.051 -0.525 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.777 0.662 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.369 2.286 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.255 1.439 9.228 1.00 0.00 H new ATOM 123 N ALA A 8 12.559 1.635 4.336 1.00 0.00 N ATOM 124 CA ALA A 8 12.373 1.267 2.939 1.00 0.00 C ATOM 125 C ALA A 8 12.746 -0.191 2.729 1.00 0.00 C ATOM 126 O ALA A 8 12.224 -0.853 1.831 1.00 0.00 O ATOM 127 CB ALA A 8 13.193 2.162 2.025 1.00 0.00 C ATOM 0 H ALA A 8 13.349 2.257 4.508 1.00 0.00 H new ATOM 0 HA ALA A 8 11.321 1.403 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.035 1.865 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.883 3.199 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.250 2.065 2.273 1.00 0.00 H new ATOM 133 N SER A 9 13.655 -0.679 3.566 1.00 0.00 N ATOM 134 CA SER A 9 14.013 -2.089 3.578 1.00 0.00 C ATOM 135 C SER A 9 12.764 -2.925 3.834 1.00 0.00 C ATOM 136 O SER A 9 12.505 -3.911 3.147 1.00 0.00 O ATOM 137 CB SER A 9 15.058 -2.348 4.665 1.00 0.00 C ATOM 138 OG SER A 9 16.111 -1.399 4.591 1.00 0.00 O ATOM 0 H SER A 9 14.159 -0.113 4.248 1.00 0.00 H new ATOM 0 HA SER A 9 14.437 -2.368 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.587 -2.299 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.462 -3.355 4.555 1.00 0.00 H new ATOM 0 HG SER A 9 16.767 -1.582 5.296 1.00 0.00 H new ATOM 144 N GLU A 10 11.989 -2.500 4.829 1.00 0.00 N ATOM 145 CA GLU A 10 10.707 -3.103 5.134 1.00 0.00 C ATOM 146 C GLU A 10 9.779 -3.114 3.924 1.00 0.00 C ATOM 147 O GLU A 10 9.118 -4.122 3.661 1.00 0.00 O ATOM 148 CB GLU A 10 10.068 -2.356 6.296 1.00 0.00 C ATOM 149 CG GLU A 10 10.563 -2.840 7.637 1.00 0.00 C ATOM 150 CD GLU A 10 9.988 -2.068 8.793 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.510 -0.981 9.094 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.016 -2.540 9.409 1.00 0.00 O ATOM 0 H GLU A 10 12.239 -1.726 5.444 1.00 0.00 H new ATOM 0 HA GLU A 10 10.873 -4.144 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.277 -1.291 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.985 -2.474 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.312 -3.894 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.650 -2.767 7.664 1.00 0.00 H new ATOM 159 N PHE A 11 9.732 -2.004 3.187 1.00 0.00 N ATOM 160 CA PHE A 11 8.894 -1.928 1.993 1.00 0.00 C ATOM 161 C PHE A 11 9.326 -2.982 0.978 1.00 0.00 C ATOM 162 O PHE A 11 8.542 -3.857 0.612 1.00 0.00 O ATOM 163 CB PHE A 11 8.954 -0.519 1.374 1.00 0.00 C ATOM 164 CG PHE A 11 8.008 -0.298 0.215 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.308 -0.784 -1.049 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.827 0.416 0.383 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.453 -0.567 -2.114 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.970 0.639 -0.688 1.00 0.00 C ATOM 169 CZ PHE A 11 6.286 0.142 -1.931 1.00 0.00 C ATOM 0 H PHE A 11 10.258 -1.155 3.393 1.00 0.00 H new ATOM 0 HA PHE A 11 7.862 -2.126 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.734 0.214 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.972 -0.329 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.221 -1.339 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.572 0.802 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.701 -0.954 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.059 1.201 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.619 0.308 -2.764 1.00 0.00 H new ATOM 179 N ASP A 12 10.585 -2.912 0.571 1.00 0.00 N ATOM 180 CA ASP A 12 11.130 -3.799 -0.463 1.00 0.00 C ATOM 181 C ASP A 12 11.036 -5.266 -0.041 1.00 0.00 C ATOM 182 O ASP A 12 10.760 -6.141 -0.863 1.00 0.00 O ATOM 183 CB ASP A 12 12.589 -3.431 -0.746 1.00 0.00 C ATOM 184 CG ASP A 12 13.096 -3.999 -2.058 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.436 -5.201 -2.111 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.165 -3.236 -3.046 1.00 0.00 O ATOM 0 H ASP A 12 11.260 -2.244 0.942 1.00 0.00 H new ATOM 0 HA ASP A 12 10.538 -3.669 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.688 -2.346 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.215 -3.796 0.068 1.00 0.00 H new ATOM 191 N SER A 13 11.254 -5.525 1.244 1.00 0.00 N ATOM 192 CA SER A 13 11.166 -6.877 1.784 1.00 0.00 C ATOM 193 C SER A 13 9.773 -7.462 1.563 1.00 0.00 C ATOM 194 O SER A 13 9.632 -8.624 1.173 1.00 0.00 O ATOM 195 CB SER A 13 11.512 -6.874 3.278 1.00 0.00 C ATOM 196 OG SER A 13 11.458 -8.179 3.825 1.00 0.00 O ATOM 0 H SER A 13 11.494 -4.813 1.934 1.00 0.00 H new ATOM 0 HA SER A 13 11.885 -7.504 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.510 -6.459 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.818 -6.225 3.812 1.00 0.00 H new ATOM 0 HG SER A 13 11.685 -8.144 4.778 1.00 0.00 H new ATOM 202 N ALA A 14 8.740 -6.656 1.802 1.00 0.00 N ATOM 203 CA ALA A 14 7.375 -7.095 1.577 1.00 0.00 C ATOM 204 C ALA A 14 7.108 -7.261 0.089 1.00 0.00 C ATOM 205 O ALA A 14 6.364 -8.147 -0.324 1.00 0.00 O ATOM 206 CB ALA A 14 6.376 -6.124 2.193 1.00 0.00 C ATOM 0 H ALA A 14 8.827 -5.701 2.150 1.00 0.00 H new ATOM 0 HA ALA A 14 7.248 -8.062 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.362 -6.479 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.547 -6.058 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.503 -5.139 1.745 1.00 0.00 H new ATOM 212 N ILE A 15 7.741 -6.412 -0.708 1.00 0.00 N ATOM 213 CA ILE A 15 7.583 -6.442 -2.156 1.00 0.00 C ATOM 214 C ILE A 15 8.084 -7.752 -2.738 1.00 0.00 C ATOM 215 O ILE A 15 7.462 -8.328 -3.630 1.00 0.00 O ATOM 216 CB ILE A 15 8.365 -5.305 -2.830 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.959 -3.950 -2.284 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.164 -5.323 -4.327 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.464 -3.765 -2.124 1.00 0.00 C ATOM 0 H ILE A 15 8.375 -5.687 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 15 6.516 -6.327 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 15 9.419 -5.469 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.437 -3.803 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.340 -3.174 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.728 -4.508 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.513 -6.274 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.105 -5.200 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.261 -2.770 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.978 -3.877 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.076 -4.515 -1.435 1.00 0.00 H new ATOM 231 N ALA A 16 9.203 -8.222 -2.206 1.00 0.00 N ATOM 232 CA ALA A 16 9.891 -9.386 -2.746 1.00 0.00 C ATOM 233 C ALA A 16 9.144 -10.673 -2.438 1.00 0.00 C ATOM 234 O ALA A 16 9.552 -11.760 -2.843 1.00 0.00 O ATOM 235 CB ALA A 16 11.304 -9.449 -2.197 1.00 0.00 C ATOM 0 H ALA A 16 9.658 -7.810 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 16 9.929 -9.283 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.814 -10.322 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.845 -8.547 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.269 -9.524 -1.110 1.00 0.00 H new ATOM 241 N GLN A 17 8.045 -10.538 -1.732 1.00 0.00 N ATOM 242 CA GLN A 17 7.234 -11.674 -1.347 1.00 0.00 C ATOM 243 C GLN A 17 6.497 -12.220 -2.567 1.00 0.00 C ATOM 244 O GLN A 17 6.037 -11.458 -3.419 1.00 0.00 O ATOM 245 CB GLN A 17 6.257 -11.242 -0.261 1.00 0.00 C ATOM 246 CG GLN A 17 5.578 -12.383 0.467 1.00 0.00 C ATOM 247 CD GLN A 17 4.885 -11.915 1.731 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.539 -10.634 1.782 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 4.698 -12.684 2.673 1.00 0.00 N flip ATOM 0 H GLN A 17 7.687 -9.640 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 17 7.866 -12.470 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.790 -10.630 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.492 -10.609 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.849 -12.853 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.317 -13.144 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.977 -13.662 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.263 -12.344 3.531 1.00 0.00 H new ATOM 258 N ASP A 18 6.392 -13.540 -2.649 1.00 0.00 N ATOM 259 CA ASP A 18 5.818 -14.201 -3.823 1.00 0.00 C ATOM 260 C ASP A 18 4.294 -14.176 -3.789 1.00 0.00 C ATOM 261 O ASP A 18 3.641 -15.197 -4.000 1.00 0.00 O ATOM 262 CB ASP A 18 6.303 -15.653 -3.913 1.00 0.00 C ATOM 263 CG ASP A 18 7.809 -15.765 -4.020 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.489 -15.689 -2.978 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.323 -15.938 -5.145 1.00 0.00 O ATOM 0 H ASP A 18 6.697 -14.180 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 18 6.153 -13.651 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.965 -16.199 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.846 -16.131 -4.779 1.00 0.00 H new ATOM 270 N LYS A 19 3.733 -13.009 -3.522 1.00 0.00 N ATOM 271 CA LYS A 19 2.292 -12.836 -3.498 1.00 0.00 C ATOM 272 C LYS A 19 1.952 -11.369 -3.712 1.00 0.00 C ATOM 273 O LYS A 19 2.848 -10.543 -3.885 1.00 0.00 O ATOM 274 CB LYS A 19 1.696 -13.327 -2.174 1.00 0.00 C ATOM 275 CG LYS A 19 2.076 -12.475 -0.975 1.00 0.00 C ATOM 276 CD LYS A 19 0.968 -12.476 0.064 1.00 0.00 C ATOM 277 CE LYS A 19 0.893 -13.795 0.820 1.00 0.00 C ATOM 278 NZ LYS A 19 1.908 -13.870 1.902 1.00 0.00 N ATOM 0 H LYS A 19 4.260 -12.160 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 19 1.860 -13.433 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.610 -13.349 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.023 -14.352 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.996 -12.855 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.276 -11.453 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.133 -11.663 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.013 -12.284 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.103 -13.913 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.041 -14.621 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.600 -14.557 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.820 -14.172 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.016 -12.934 2.342 1.00 0.00 H new ATOM 292 N LEU A 20 0.665 -11.052 -3.713 1.00 0.00 N ATOM 293 CA LEU A 20 0.223 -9.680 -3.896 1.00 0.00 C ATOM 294 C LEU A 20 0.494 -8.873 -2.627 1.00 0.00 C ATOM 295 O LEU A 20 0.043 -9.231 -1.535 1.00 0.00 O ATOM 296 CB LEU A 20 -1.271 -9.649 -4.259 1.00 0.00 C ATOM 297 CG LEU A 20 -1.810 -8.328 -4.831 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.923 -7.256 -3.761 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.922 -7.842 -5.961 1.00 0.00 C ATOM 0 H LEU A 20 -0.090 -11.727 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 20 0.781 -9.229 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.462 -10.439 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.845 -9.893 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.811 -8.522 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.307 -6.338 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.603 -7.593 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.940 -7.067 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.316 -6.906 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.089 -7.681 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.900 -8.590 -6.754 1.00 0.00 H new ATOM 311 N VAL A 21 1.246 -7.797 -2.782 1.00 0.00 N ATOM 312 CA VAL A 21 1.569 -6.923 -1.670 1.00 0.00 C ATOM 313 C VAL A 21 0.706 -5.671 -1.717 1.00 0.00 C ATOM 314 O VAL A 21 0.768 -4.909 -2.682 1.00 0.00 O ATOM 315 CB VAL A 21 3.050 -6.490 -1.699 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.531 -6.127 -0.304 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.923 -7.568 -2.325 1.00 0.00 C ATOM 0 H VAL A 21 1.646 -7.507 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 21 1.379 -7.485 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 21 3.132 -5.600 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.577 -5.825 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.931 -5.304 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.430 -6.991 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.961 -7.236 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.840 -8.487 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.594 -7.754 -3.347 1.00 0.00 H new ATOM 327 N VAL A 22 -0.107 -5.470 -0.694 1.00 0.00 N ATOM 328 CA VAL A 22 -0.911 -4.264 -0.590 1.00 0.00 C ATOM 329 C VAL A 22 -0.208 -3.267 0.305 1.00 0.00 C ATOM 330 O VAL A 22 -0.207 -3.413 1.530 1.00 0.00 O ATOM 331 CB VAL A 22 -2.309 -4.548 -0.008 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.147 -3.277 0.036 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.011 -5.623 -0.810 1.00 0.00 C ATOM 0 H VAL A 22 -0.228 -6.127 0.077 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.035 -3.865 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.185 -4.907 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.129 -3.503 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.651 -2.536 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.261 -2.881 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.997 -5.810 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.119 -5.294 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.423 -6.541 -0.781 1.00 0.00 H new ATOM 343 N VAL A 23 0.408 -2.267 -0.294 1.00 0.00 N ATOM 344 CA VAL A 23 1.113 -1.279 0.485 1.00 0.00 C ATOM 345 C VAL A 23 0.337 0.023 0.545 1.00 0.00 C ATOM 346 O VAL A 23 -0.016 0.620 -0.474 1.00 0.00 O ATOM 347 CB VAL A 23 2.536 -1.022 -0.025 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.253 -0.081 0.915 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.301 -2.323 -0.148 1.00 0.00 C ATOM 0 H VAL A 23 0.433 -2.121 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 23 1.200 -1.690 1.491 1.00 0.00 H new ATOM 0 HB VAL A 23 2.478 -0.565 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.264 0.099 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.712 0.864 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.301 -0.526 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.308 -2.120 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.358 -2.805 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.788 -2.982 -0.849 1.00 0.00 H new ATOM 359 N ALA A 24 0.087 0.436 1.761 1.00 0.00 N ATOM 360 CA ALA A 24 -0.724 1.598 2.057 1.00 0.00 C ATOM 361 C ALA A 24 0.153 2.789 2.422 1.00 0.00 C ATOM 362 O ALA A 24 0.574 2.917 3.574 1.00 0.00 O ATOM 363 CB ALA A 24 -1.618 1.259 3.237 1.00 0.00 C ATOM 0 H ALA A 24 0.447 -0.033 2.592 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.315 1.862 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.241 2.120 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.254 0.412 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.002 1.001 4.098 1.00 0.00 H new ATOM 369 N PHE A 25 0.434 3.658 1.471 1.00 0.00 N ATOM 370 CA PHE A 25 1.223 4.843 1.770 1.00 0.00 C ATOM 371 C PHE A 25 0.354 6.078 1.924 1.00 0.00 C ATOM 372 O PHE A 25 -0.482 6.390 1.080 1.00 0.00 O ATOM 373 CB PHE A 25 2.307 5.062 0.723 1.00 0.00 C ATOM 374 CG PHE A 25 3.618 4.487 1.153 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.691 3.186 1.604 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.771 5.247 1.119 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.889 2.646 2.013 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.976 4.713 1.525 1.00 0.00 C ATOM 379 CZ PHE A 25 6.034 3.408 1.973 1.00 0.00 C ATOM 0 H PHE A 25 0.135 3.572 0.500 1.00 0.00 H new ATOM 0 HA PHE A 25 1.711 4.670 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.001 4.605 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.422 6.130 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.796 2.583 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.728 6.269 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.930 1.626 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.873 5.314 1.493 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.976 2.986 2.291 1.00 0.00 H new ATOM 389 N TYR A 26 0.559 6.767 3.029 1.00 0.00 N ATOM 390 CA TYR A 26 -0.193 7.961 3.356 1.00 0.00 C ATOM 391 C TYR A 26 0.653 8.853 4.245 1.00 0.00 C ATOM 392 O TYR A 26 1.769 8.493 4.590 1.00 0.00 O ATOM 393 CB TYR A 26 -1.491 7.579 4.072 1.00 0.00 C ATOM 394 CG TYR A 26 -1.281 6.638 5.242 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.879 7.114 6.485 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.472 5.273 5.097 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.676 6.253 7.546 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.271 4.407 6.149 1.00 0.00 C ATOM 399 CZ TYR A 26 -0.872 4.899 7.373 1.00 0.00 C ATOM 400 OH TYR A 26 -0.672 4.034 8.426 1.00 0.00 O ATOM 0 H TYR A 26 1.256 6.512 3.729 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.446 8.498 2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.981 8.485 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.167 7.111 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.723 8.174 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.785 4.881 4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.365 6.638 8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.425 3.347 6.015 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.536 3.801 8.826 1.00 0.00 H new ATOM 410 N ALA A 27 0.133 10.005 4.616 1.00 0.00 N ATOM 411 CA ALA A 27 0.857 10.901 5.497 1.00 0.00 C ATOM 412 C ALA A 27 -0.027 11.327 6.657 1.00 0.00 C ATOM 413 O ALA A 27 -1.211 11.604 6.476 1.00 0.00 O ATOM 414 CB ALA A 27 1.353 12.114 4.734 1.00 0.00 C ATOM 0 H ALA A 27 -0.784 10.343 4.323 1.00 0.00 H new ATOM 0 HA ALA A 27 1.722 10.371 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.894 12.774 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.019 11.793 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.504 12.648 4.308 1.00 0.00 H new ATOM 420 N THR A 28 0.559 11.374 7.841 1.00 0.00 N ATOM 421 CA THR A 28 -0.166 11.706 9.059 1.00 0.00 C ATOM 422 C THR A 28 -0.670 13.149 9.064 1.00 0.00 C ATOM 423 O THR A 28 -1.576 13.488 9.826 1.00 0.00 O ATOM 424 CB THR A 28 0.714 11.461 10.296 1.00 0.00 C ATOM 425 OG1 THR A 28 2.054 11.904 10.036 1.00 0.00 O ATOM 426 CG2 THR A 28 0.718 9.986 10.668 1.00 0.00 C ATOM 0 H THR A 28 1.550 11.183 7.987 1.00 0.00 H new ATOM 0 HA THR A 28 -1.037 11.051 9.093 1.00 0.00 H new ATOM 0 HB THR A 28 0.303 12.027 11.132 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.652 11.129 9.992 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.346 9.834 11.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.299 9.664 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.110 9.402 9.835 1.00 0.00 H new ATOM 434 N TRP A 29 -0.088 13.993 8.214 1.00 0.00 N ATOM 435 CA TRP A 29 -0.540 15.376 8.090 1.00 0.00 C ATOM 436 C TRP A 29 -1.686 15.478 7.089 1.00 0.00 C ATOM 437 O TRP A 29 -2.348 16.512 6.985 1.00 0.00 O ATOM 438 CB TRP A 29 0.617 16.301 7.668 1.00 0.00 C ATOM 439 CG TRP A 29 1.276 15.933 6.365 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.470 15.293 6.210 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.791 16.197 5.038 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.751 15.132 4.876 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.738 15.678 4.137 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.352 16.817 4.524 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.577 15.760 2.756 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.511 16.896 3.156 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.447 16.369 2.285 1.00 0.00 C ATOM 0 H TRP A 29 0.692 13.745 7.605 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.898 15.699 9.068 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.239 17.321 7.593 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.372 16.298 8.454 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.103 14.961 7.020 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.582 14.678 4.497 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.099 17.228 5.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.318 15.357 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.391 17.373 2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.292 16.444 1.219 1.00 0.00 H new ATOM 458 N CYS A 30 -1.914 14.394 6.366 1.00 0.00 N ATOM 459 CA CYS A 30 -2.903 14.362 5.300 1.00 0.00 C ATOM 460 C CYS A 30 -4.293 14.076 5.865 1.00 0.00 C ATOM 461 O CYS A 30 -4.433 13.446 6.912 1.00 0.00 O ATOM 462 CB CYS A 30 -2.503 13.291 4.280 1.00 0.00 C ATOM 463 SG CYS A 30 -3.692 13.017 2.949 1.00 0.00 S ATOM 0 H CYS A 30 -1.420 13.512 6.501 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.938 15.334 4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.546 13.571 3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.348 12.350 4.807 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.622 11.781 2.553 1.00 0.00 H new ATOM 469 N GLY A 31 -5.314 14.552 5.166 1.00 0.00 N ATOM 470 CA GLY A 31 -6.685 14.348 5.597 1.00 0.00 C ATOM 471 C GLY A 31 -7.264 13.020 5.127 1.00 0.00 C ATOM 472 O GLY A 31 -7.625 12.179 5.951 1.00 0.00 O ATOM 0 H GLY A 31 -5.217 15.081 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.729 14.393 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.304 15.162 5.220 1.00 0.00 H new ATOM 476 N PRO A 32 -7.368 12.798 3.798 1.00 0.00 N ATOM 477 CA PRO A 32 -7.935 11.560 3.230 1.00 0.00 C ATOM 478 C PRO A 32 -7.083 10.313 3.487 1.00 0.00 C ATOM 479 O PRO A 32 -7.415 9.223 3.019 1.00 0.00 O ATOM 480 CB PRO A 32 -7.998 11.851 1.728 1.00 0.00 C ATOM 481 CG PRO A 32 -6.965 12.896 1.504 1.00 0.00 C ATOM 482 CD PRO A 32 -6.980 13.749 2.738 1.00 0.00 C ATOM 0 HA PRO A 32 -8.897 11.330 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.790 10.956 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.987 12.202 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.983 12.449 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.191 13.487 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.004 14.193 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.692 14.570 2.652 1.00 0.00 H new ATOM 490 N CYS A 33 -5.991 10.466 4.232 1.00 0.00 N ATOM 491 CA CYS A 33 -5.135 9.332 4.576 1.00 0.00 C ATOM 492 C CYS A 33 -5.926 8.297 5.365 1.00 0.00 C ATOM 493 O CYS A 33 -5.706 7.083 5.252 1.00 0.00 O ATOM 494 CB CYS A 33 -3.935 9.796 5.404 1.00 0.00 C ATOM 495 SG CYS A 33 -4.373 10.547 6.988 1.00 0.00 S ATOM 0 H CYS A 33 -5.678 11.361 4.608 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.775 8.883 3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.283 8.942 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.361 10.516 4.820 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.015 11.797 6.990 1.00 0.00 H new ATOM 501 N LYS A 34 -6.874 8.793 6.141 1.00 0.00 N ATOM 502 CA LYS A 34 -7.687 7.952 6.990 1.00 0.00 C ATOM 503 C LYS A 34 -8.605 7.070 6.157 1.00 0.00 C ATOM 504 O LYS A 34 -9.190 6.133 6.680 1.00 0.00 O ATOM 505 CB LYS A 34 -8.505 8.814 7.952 1.00 0.00 C ATOM 506 CG LYS A 34 -9.238 8.037 9.034 1.00 0.00 C ATOM 507 CD LYS A 34 -8.265 7.334 9.964 1.00 0.00 C ATOM 508 CE LYS A 34 -8.979 6.663 11.124 1.00 0.00 C ATOM 509 NZ LYS A 34 -9.708 7.642 11.977 1.00 0.00 N ATOM 0 H LYS A 34 -7.098 9.786 6.198 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.028 7.305 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.840 9.534 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.234 9.385 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.868 8.716 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.899 7.303 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.701 6.588 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.544 8.055 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.682 5.925 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.253 6.123 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.948 7.199 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.105 8.473 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.581 7.939 11.496 1.00 0.00 H new ATOM 523 N MET A 35 -8.724 7.343 4.857 1.00 0.00 N ATOM 524 CA MET A 35 -9.563 6.507 4.014 1.00 0.00 C ATOM 525 C MET A 35 -8.804 5.245 3.661 1.00 0.00 C ATOM 526 O MET A 35 -9.384 4.184 3.437 1.00 0.00 O ATOM 527 CB MET A 35 -9.992 7.221 2.737 1.00 0.00 C ATOM 528 CG MET A 35 -11.143 6.504 2.056 1.00 0.00 C ATOM 529 SD MET A 35 -11.703 7.296 0.543 1.00 0.00 S ATOM 530 CE MET A 35 -12.837 6.034 -0.027 1.00 0.00 C ATOM 0 H MET A 35 -8.261 8.117 4.379 1.00 0.00 H new ATOM 0 HA MET A 35 -10.469 6.268 4.572 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.288 8.243 2.973 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.146 7.284 2.053 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.838 5.483 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.980 6.439 2.751 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.167 6.272 -1.038 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.335 5.067 -0.027 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.701 5.994 0.637 1.00 0.00 H new ATOM 540 N ILE A 36 -7.491 5.373 3.635 1.00 0.00 N ATOM 541 CA ILE A 36 -6.620 4.243 3.399 1.00 0.00 C ATOM 542 C ILE A 36 -6.534 3.397 4.652 1.00 0.00 C ATOM 543 O ILE A 36 -6.236 2.202 4.598 1.00 0.00 O ATOM 544 CB ILE A 36 -5.229 4.714 2.915 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.216 4.760 1.391 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.103 3.835 3.437 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.378 5.531 0.814 1.00 0.00 C ATOM 0 H ILE A 36 -7.003 6.258 3.776 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.036 3.624 2.604 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.053 5.712 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.284 5.213 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.234 3.742 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.148 4.209 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.103 3.853 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.250 2.812 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.313 5.528 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.313 5.064 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.348 6.559 1.176 1.00 0.00 H new ATOM 559 N ALA A 37 -6.823 4.024 5.783 1.00 0.00 N ATOM 560 CA ALA A 37 -6.946 3.296 7.031 1.00 0.00 C ATOM 561 C ALA A 37 -7.952 2.123 6.907 1.00 0.00 C ATOM 562 O ALA A 37 -7.518 0.965 6.884 1.00 0.00 O ATOM 563 CB ALA A 37 -7.297 4.249 8.177 1.00 0.00 C ATOM 0 H ALA A 37 -6.975 5.030 5.859 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.980 2.848 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.385 3.685 9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.512 4.998 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.244 4.744 7.962 1.00 0.00 H new ATOM 569 N PRO A 38 -9.284 2.357 6.742 1.00 0.00 N ATOM 570 CA PRO A 38 -10.250 1.261 6.775 1.00 0.00 C ATOM 571 C PRO A 38 -10.421 0.530 5.446 1.00 0.00 C ATOM 572 O PRO A 38 -10.675 -0.664 5.447 1.00 0.00 O ATOM 573 CB PRO A 38 -11.543 1.955 7.177 1.00 0.00 C ATOM 574 CG PRO A 38 -11.437 3.301 6.558 1.00 0.00 C ATOM 575 CD PRO A 38 -9.965 3.631 6.500 1.00 0.00 C ATOM 0 HA PRO A 38 -9.925 0.474 7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.416 1.415 6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.640 2.021 8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.875 3.305 5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.978 4.042 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.691 4.048 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.696 4.372 7.253 1.00 0.00 H new ATOM 583 N MET A 39 -10.274 1.226 4.315 1.00 0.00 N ATOM 584 CA MET A 39 -10.501 0.595 3.018 1.00 0.00 C ATOM 585 C MET A 39 -9.464 -0.495 2.789 1.00 0.00 C ATOM 586 O MET A 39 -9.795 -1.624 2.449 1.00 0.00 O ATOM 587 CB MET A 39 -10.417 1.646 1.904 1.00 0.00 C ATOM 588 CG MET A 39 -10.306 1.048 0.519 1.00 0.00 C ATOM 589 SD MET A 39 -9.296 2.057 -0.576 1.00 0.00 S ATOM 590 CE MET A 39 -7.903 2.416 0.501 1.00 0.00 C ATOM 0 H MET A 39 -10.004 2.209 4.273 1.00 0.00 H new ATOM 0 HA MET A 39 -11.495 0.148 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.302 2.281 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.554 2.288 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.876 0.049 0.590 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.303 0.937 0.092 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.099 2.865 -0.082 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.216 3.109 1.282 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.548 1.492 0.957 1.00 0.00 H new ATOM 600 N ILE A 40 -8.211 -0.150 3.019 1.00 0.00 N ATOM 601 CA ILE A 40 -7.105 -1.077 2.843 1.00 0.00 C ATOM 602 C ILE A 40 -7.152 -2.186 3.881 1.00 0.00 C ATOM 603 O ILE A 40 -6.860 -3.342 3.575 1.00 0.00 O ATOM 604 CB ILE A 40 -5.776 -0.303 2.908 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.207 -0.135 1.509 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.756 -0.976 3.823 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.241 1.015 1.399 1.00 0.00 C ATOM 0 H ILE A 40 -7.930 0.779 3.333 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.188 -1.552 1.865 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.987 0.677 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.702 -1.055 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.026 0.017 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.836 -0.391 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.159 -1.038 4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.543 -1.980 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.870 1.082 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.748 1.943 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.404 0.853 2.078 1.00 0.00 H new ATOM 619 N GLU A 41 -7.535 -1.844 5.104 1.00 0.00 N ATOM 620 CA GLU A 41 -7.704 -2.857 6.135 1.00 0.00 C ATOM 621 C GLU A 41 -8.868 -3.774 5.763 1.00 0.00 C ATOM 622 O GLU A 41 -8.904 -4.946 6.139 1.00 0.00 O ATOM 623 CB GLU A 41 -7.948 -2.183 7.490 1.00 0.00 C ATOM 624 CG GLU A 41 -8.028 -3.145 8.664 1.00 0.00 C ATOM 625 CD GLU A 41 -8.298 -2.436 9.975 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.349 -1.880 10.566 1.00 0.00 O ATOM 627 OE2 GLU A 41 -9.459 -2.426 10.423 1.00 0.00 O ATOM 0 H GLU A 41 -7.732 -0.889 5.403 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.799 -3.459 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.147 -1.468 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.877 -1.615 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.817 -3.874 8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.093 -3.700 8.740 1.00 0.00 H new ATOM 634 N LYS A 42 -9.797 -3.229 4.987 1.00 0.00 N ATOM 635 CA LYS A 42 -10.983 -3.948 4.570 1.00 0.00 C ATOM 636 C LYS A 42 -10.659 -4.931 3.448 1.00 0.00 C ATOM 637 O LYS A 42 -11.296 -5.983 3.342 1.00 0.00 O ATOM 638 CB LYS A 42 -12.068 -2.951 4.133 1.00 0.00 C ATOM 639 CG LYS A 42 -13.451 -3.568 4.014 1.00 0.00 C ATOM 640 CD LYS A 42 -13.956 -3.999 5.380 1.00 0.00 C ATOM 641 CE LYS A 42 -15.374 -4.531 5.335 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.869 -4.862 6.695 1.00 0.00 N ATOM 0 H LYS A 42 -9.744 -2.274 4.631 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.358 -4.526 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.106 -2.131 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.788 -2.521 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.141 -2.848 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.417 -4.427 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.296 -4.768 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.911 -3.152 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.029 -3.789 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.411 -5.420 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.592 -5.607 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.078 -5.198 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.285 -4.013 7.129 1.00 0.00 H new ATOM 656 N PHE A 43 -9.666 -4.590 2.619 1.00 0.00 N ATOM 657 CA PHE A 43 -9.213 -5.486 1.550 1.00 0.00 C ATOM 658 C PHE A 43 -8.890 -6.859 2.127 1.00 0.00 C ATOM 659 O PHE A 43 -9.572 -7.844 1.841 1.00 0.00 O ATOM 660 CB PHE A 43 -7.945 -4.954 0.855 1.00 0.00 C ATOM 661 CG PHE A 43 -8.092 -3.627 0.180 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.333 -3.089 -0.073 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.968 -2.927 -0.210 1.00 0.00 C ATOM 664 CE1 PHE A 43 -9.455 -1.867 -0.702 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.082 -1.708 -0.838 1.00 0.00 C ATOM 666 CZ PHE A 43 -8.327 -1.177 -1.083 1.00 0.00 C ATOM 0 H PHE A 43 -9.163 -3.704 2.667 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.020 -5.547 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.149 -4.879 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.623 -5.686 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.220 -3.629 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.989 -3.341 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.434 -1.453 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.195 -1.169 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.419 -0.219 -1.574 1.00 0.00 H new ATOM 676 N SER A 44 -7.878 -6.916 2.988 1.00 0.00 N ATOM 677 CA SER A 44 -7.398 -8.189 3.483 1.00 0.00 C ATOM 678 C SER A 44 -8.287 -8.716 4.602 1.00 0.00 C ATOM 679 O SER A 44 -8.168 -9.872 5.007 1.00 0.00 O ATOM 680 CB SER A 44 -5.954 -8.081 3.944 1.00 0.00 C ATOM 681 OG SER A 44 -5.167 -7.378 2.994 1.00 0.00 O ATOM 0 H SER A 44 -7.383 -6.101 3.351 1.00 0.00 H new ATOM 0 HA SER A 44 -7.439 -8.903 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.913 -7.569 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.542 -9.078 4.096 1.00 0.00 H new ATOM 0 HG SER A 44 -4.290 -7.807 2.914 1.00 0.00 H new ATOM 687 N GLU A 45 -9.156 -7.861 5.131 1.00 0.00 N ATOM 688 CA GLU A 45 -10.168 -8.320 6.068 1.00 0.00 C ATOM 689 C GLU A 45 -11.077 -9.322 5.366 1.00 0.00 C ATOM 690 O GLU A 45 -11.518 -10.302 5.962 1.00 0.00 O ATOM 691 CB GLU A 45 -10.996 -7.152 6.607 1.00 0.00 C ATOM 692 CG GLU A 45 -11.927 -7.545 7.742 1.00 0.00 C ATOM 693 CD GLU A 45 -12.841 -6.419 8.167 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.385 -5.513 8.901 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.026 -6.430 7.771 1.00 0.00 O ATOM 0 H GLU A 45 -9.179 -6.861 4.929 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.672 -8.794 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.322 -6.369 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.585 -6.728 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.530 -8.399 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.333 -7.867 8.597 1.00 0.00 H new ATOM 702 N GLN A 46 -11.334 -9.077 4.084 1.00 0.00 N ATOM 703 CA GLN A 46 -12.151 -9.973 3.289 1.00 0.00 C ATOM 704 C GLN A 46 -11.284 -11.060 2.662 1.00 0.00 C ATOM 705 O GLN A 46 -11.688 -12.222 2.584 1.00 0.00 O ATOM 706 CB GLN A 46 -12.893 -9.197 2.197 1.00 0.00 C ATOM 707 CG GLN A 46 -13.798 -8.093 2.727 1.00 0.00 C ATOM 708 CD GLN A 46 -14.981 -8.611 3.530 1.00 0.00 C ATOM 709 OE1 GLN A 46 -14.914 -9.659 4.174 1.00 0.00 O ATOM 710 NE2 GLN A 46 -16.080 -7.875 3.495 1.00 0.00 N ATOM 0 H GLN A 46 -10.985 -8.263 3.578 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.887 -10.441 3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.162 -8.759 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.493 -9.895 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.210 -7.422 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.169 -7.504 1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.099 -7.013 2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.908 -8.170 4.012 1.00 0.00 H new ATOM 719 N TYR A 47 -10.095 -10.676 2.213 1.00 0.00 N ATOM 720 CA TYR A 47 -9.159 -11.621 1.624 1.00 0.00 C ATOM 721 C TYR A 47 -7.751 -11.472 2.209 1.00 0.00 C ATOM 722 O TYR A 47 -6.930 -10.704 1.715 1.00 0.00 O ATOM 723 CB TYR A 47 -9.142 -11.480 0.099 1.00 0.00 C ATOM 724 CG TYR A 47 -9.138 -10.056 -0.414 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.964 -9.314 -0.496 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.319 -9.466 -0.837 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.974 -8.021 -0.980 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.337 -8.174 -1.318 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.164 -7.459 -1.387 1.00 0.00 C ATOM 730 OH TYR A 47 -9.182 -6.171 -1.854 1.00 0.00 O ATOM 0 H TYR A 47 -9.757 -9.714 2.247 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.502 -12.625 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.261 -11.992 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.013 -11.994 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.032 -9.756 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.240 -10.028 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.056 -7.455 -1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.266 -7.726 -1.639 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.706 -5.610 -1.245 1.00 0.00 H new ATOM 740 N PRO A 48 -7.450 -12.219 3.279 1.00 0.00 N ATOM 741 CA PRO A 48 -6.147 -12.160 3.947 1.00 0.00 C ATOM 742 C PRO A 48 -5.037 -12.830 3.134 1.00 0.00 C ATOM 743 O PRO A 48 -3.890 -12.908 3.576 1.00 0.00 O ATOM 744 CB PRO A 48 -6.387 -12.897 5.258 1.00 0.00 C ATOM 745 CG PRO A 48 -7.474 -13.866 4.947 1.00 0.00 C ATOM 746 CD PRO A 48 -8.354 -13.191 3.928 1.00 0.00 C ATOM 0 HA PRO A 48 -5.804 -11.134 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.486 -13.407 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.682 -12.210 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.066 -14.797 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.039 -14.119 5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.757 -13.905 3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.204 -12.696 4.397 1.00 0.00 H new ATOM 754 N GLN A 49 -5.396 -13.322 1.951 1.00 0.00 N ATOM 755 CA GLN A 49 -4.452 -13.993 1.060 1.00 0.00 C ATOM 756 C GLN A 49 -3.351 -13.040 0.601 1.00 0.00 C ATOM 757 O GLN A 49 -2.254 -13.462 0.230 1.00 0.00 O ATOM 758 CB GLN A 49 -5.199 -14.521 -0.166 1.00 0.00 C ATOM 759 CG GLN A 49 -4.288 -15.043 -1.259 1.00 0.00 C ATOM 760 CD GLN A 49 -4.863 -14.823 -2.640 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.565 -15.680 -3.177 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.576 -13.669 -3.222 1.00 0.00 N ATOM 0 H GLN A 49 -6.346 -13.267 1.584 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.992 -14.815 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.872 -15.320 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.820 -13.723 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.319 -14.548 -1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.114 -16.108 -1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.990 -12.987 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.941 -13.462 -4.152 1.00 0.00 H new ATOM 771 N ALA A 50 -3.639 -11.756 0.642 1.00 0.00 N ATOM 772 CA ALA A 50 -2.675 -10.754 0.234 1.00 0.00 C ATOM 773 C ALA A 50 -2.037 -10.131 1.461 1.00 0.00 C ATOM 774 O ALA A 50 -2.604 -10.187 2.555 1.00 0.00 O ATOM 775 CB ALA A 50 -3.351 -9.696 -0.617 1.00 0.00 C ATOM 0 H ALA A 50 -4.534 -11.380 0.954 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.895 -11.225 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.618 -8.948 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.779 -10.162 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.142 -9.217 -0.041 1.00 0.00 H new ATOM 781 N ASP A 51 -0.860 -9.551 1.297 1.00 0.00 N ATOM 782 CA ASP A 51 -0.154 -8.992 2.436 1.00 0.00 C ATOM 783 C ASP A 51 -0.489 -7.532 2.624 1.00 0.00 C ATOM 784 O ASP A 51 -0.569 -6.767 1.668 1.00 0.00 O ATOM 785 CB ASP A 51 1.359 -9.188 2.332 1.00 0.00 C ATOM 786 CG ASP A 51 1.827 -10.413 3.093 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.222 -11.491 2.933 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.798 -10.303 3.866 1.00 0.00 O ATOM 0 H ASP A 51 -0.380 -9.456 0.402 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.494 -9.540 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.641 -9.283 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.866 -8.305 2.720 1.00 0.00 H new ATOM 793 N PHE A 52 -0.672 -7.169 3.876 1.00 0.00 N ATOM 794 CA PHE A 52 -1.176 -5.863 4.256 1.00 0.00 C ATOM 795 C PHE A 52 -0.095 -5.030 4.933 1.00 0.00 C ATOM 796 O PHE A 52 0.384 -5.381 6.011 1.00 0.00 O ATOM 797 CB PHE A 52 -2.362 -6.055 5.204 1.00 0.00 C ATOM 798 CG PHE A 52 -2.293 -7.338 5.996 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.447 -7.457 7.086 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.066 -8.430 5.633 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.377 -8.637 7.800 1.00 0.00 C ATOM 802 CE2 PHE A 52 -2.998 -9.612 6.342 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.153 -9.716 7.428 1.00 0.00 C ATOM 0 H PHE A 52 -0.473 -7.779 4.669 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.491 -5.328 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.406 -5.212 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.286 -6.043 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.835 -6.617 7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.730 -8.355 4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.715 -8.715 8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.606 -10.455 6.047 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.099 -10.639 7.985 1.00 0.00 H new ATOM 813 N TYR A 53 0.289 -3.924 4.310 1.00 0.00 N ATOM 814 CA TYR A 53 1.300 -3.049 4.892 1.00 0.00 C ATOM 815 C TYR A 53 0.943 -1.573 4.718 1.00 0.00 C ATOM 816 O TYR A 53 0.209 -1.205 3.810 1.00 0.00 O ATOM 817 CB TYR A 53 2.672 -3.352 4.292 1.00 0.00 C ATOM 818 CG TYR A 53 3.178 -4.744 4.606 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.698 -5.044 5.857 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.134 -5.755 3.653 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.165 -6.309 6.151 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.599 -7.026 3.940 1.00 0.00 C ATOM 823 CZ TYR A 53 4.114 -7.295 5.192 1.00 0.00 C ATOM 824 OH TYR A 53 4.581 -8.555 5.485 1.00 0.00 O ATOM 0 H TYR A 53 -0.079 -3.613 3.411 1.00 0.00 H new ATOM 0 HA TYR A 53 1.334 -3.247 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.621 -3.229 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.391 -2.621 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.738 -4.274 6.614 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.731 -5.545 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.569 -6.524 7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.559 -7.802 3.190 1.00 0.00 H new ATOM 0 HH TYR A 53 4.061 -9.220 4.987 1.00 0.00 H new ATOM 834 N LYS A 54 1.463 -0.747 5.622 1.00 0.00 N ATOM 835 CA LYS A 54 1.167 0.686 5.688 1.00 0.00 C ATOM 836 C LYS A 54 2.434 1.465 6.037 1.00 0.00 C ATOM 837 O LYS A 54 3.354 0.904 6.636 1.00 0.00 O ATOM 838 CB LYS A 54 0.134 0.943 6.790 1.00 0.00 C ATOM 839 CG LYS A 54 -1.319 0.716 6.423 1.00 0.00 C ATOM 840 CD LYS A 54 -2.197 0.735 7.667 1.00 0.00 C ATOM 841 CE LYS A 54 -3.668 0.552 7.330 1.00 0.00 C ATOM 842 NZ LYS A 54 -4.191 1.673 6.509 1.00 0.00 N ATOM 0 H LYS A 54 2.114 -1.058 6.343 1.00 0.00 H new ATOM 0 HA LYS A 54 0.784 1.009 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.375 0.303 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.244 1.974 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.648 1.488 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.425 -0.241 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.880 -0.056 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.061 1.680 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.803 -0.386 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.245 0.477 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.177 1.478 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.148 2.555 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.614 1.772 5.649 1.00 0.00 H new ATOM 856 N LEU A 55 2.490 2.745 5.669 1.00 0.00 N ATOM 857 CA LEU A 55 3.570 3.613 6.114 1.00 0.00 C ATOM 858 C LEU A 55 3.176 5.087 5.991 1.00 0.00 C ATOM 859 O LEU A 55 2.414 5.468 5.097 1.00 0.00 O ATOM 860 CB LEU A 55 4.855 3.307 5.331 1.00 0.00 C ATOM 861 CG LEU A 55 6.045 4.223 5.621 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.353 3.472 5.435 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.004 5.430 4.702 1.00 0.00 C ATOM 0 H LEU A 55 1.802 3.198 5.067 1.00 0.00 H new ATOM 0 HA LEU A 55 3.762 3.416 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.151 2.280 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.630 3.361 4.266 1.00 0.00 H new ATOM 0 HG LEU A 55 5.982 4.559 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.189 4.139 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.385 2.623 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.424 3.114 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.854 6.078 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.050 5.099 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.078 5.981 4.866 1.00 0.00 H new ATOM 875 N ASP A 56 3.697 5.901 6.909 1.00 0.00 N ATOM 876 CA ASP A 56 3.476 7.348 6.903 1.00 0.00 C ATOM 877 C ASP A 56 4.640 8.078 6.230 1.00 0.00 C ATOM 878 O ASP A 56 5.783 8.007 6.689 1.00 0.00 O ATOM 879 CB ASP A 56 3.296 7.857 8.340 1.00 0.00 C ATOM 880 CG ASP A 56 3.371 9.371 8.453 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.892 10.075 7.540 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.915 9.867 9.464 1.00 0.00 O ATOM 0 H ASP A 56 4.284 5.577 7.678 1.00 0.00 H new ATOM 0 HA ASP A 56 2.570 7.553 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.332 7.518 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.063 7.413 8.974 1.00 0.00 H new ATOM 887 N VAL A 57 4.334 8.783 5.144 1.00 0.00 N ATOM 888 CA VAL A 57 5.336 9.496 4.356 1.00 0.00 C ATOM 889 C VAL A 57 5.951 10.640 5.153 1.00 0.00 C ATOM 890 O VAL A 57 7.103 11.009 4.937 1.00 0.00 O ATOM 891 CB VAL A 57 4.721 10.071 3.063 1.00 0.00 C ATOM 892 CG1 VAL A 57 5.800 10.643 2.155 1.00 0.00 C ATOM 893 CG2 VAL A 57 3.904 9.012 2.339 1.00 0.00 C ATOM 0 H VAL A 57 3.384 8.876 4.785 1.00 0.00 H new ATOM 0 HA VAL A 57 6.111 8.773 4.101 1.00 0.00 H new ATOM 0 HB VAL A 57 4.051 10.885 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.341 11.042 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.328 11.441 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.505 9.856 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.479 9.438 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.547 8.171 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.099 8.667 2.988 1.00 0.00 H new ATOM 903 N ASP A 58 5.183 11.194 6.085 1.00 0.00 N ATOM 904 CA ASP A 58 5.665 12.304 6.898 1.00 0.00 C ATOM 905 C ASP A 58 6.782 11.826 7.814 1.00 0.00 C ATOM 906 O ASP A 58 7.650 12.597 8.226 1.00 0.00 O ATOM 907 CB ASP A 58 4.530 12.906 7.723 1.00 0.00 C ATOM 908 CG ASP A 58 4.968 14.140 8.490 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.211 15.189 7.853 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.061 14.068 9.734 1.00 0.00 O ATOM 0 H ASP A 58 4.231 10.895 6.295 1.00 0.00 H new ATOM 0 HA ASP A 58 6.051 13.078 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.702 13.166 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.157 12.159 8.423 1.00 0.00 H new ATOM 915 N GLU A 59 6.759 10.535 8.113 1.00 0.00 N ATOM 916 CA GLU A 59 7.769 9.929 8.958 1.00 0.00 C ATOM 917 C GLU A 59 8.892 9.338 8.103 1.00 0.00 C ATOM 918 O GLU A 59 10.069 9.486 8.428 1.00 0.00 O ATOM 919 CB GLU A 59 7.131 8.851 9.837 1.00 0.00 C ATOM 920 CG GLU A 59 8.048 8.315 10.920 1.00 0.00 C ATOM 921 CD GLU A 59 7.364 7.302 11.808 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.659 7.717 12.754 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.527 6.089 11.570 1.00 0.00 O ATOM 0 H GLU A 59 6.046 9.887 7.779 1.00 0.00 H new ATOM 0 HA GLU A 59 8.201 10.694 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.235 9.261 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.811 8.023 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.922 7.856 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.408 9.144 11.530 1.00 0.00 H new ATOM 930 N LEU A 60 8.525 8.680 7.005 1.00 0.00 N ATOM 931 CA LEU A 60 9.511 8.081 6.105 1.00 0.00 C ATOM 932 C LEU A 60 9.368 8.627 4.682 1.00 0.00 C ATOM 933 O LEU A 60 8.854 7.947 3.784 1.00 0.00 O ATOM 934 CB LEU A 60 9.388 6.552 6.078 1.00 0.00 C ATOM 935 CG LEU A 60 9.828 5.803 7.342 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.137 6.362 7.883 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.739 5.835 8.402 1.00 0.00 C ATOM 0 H LEU A 60 7.556 8.548 6.717 1.00 0.00 H new ATOM 0 HA LEU A 60 10.495 8.349 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.347 6.298 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.975 6.178 5.239 1.00 0.00 H new ATOM 0 HG LEU A 60 9.999 4.761 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.425 5.812 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.916 6.259 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.008 7.416 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.077 5.297 9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.520 6.869 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.838 5.362 8.012 1.00 0.00 H new ATOM 949 N GLY A 61 9.844 9.849 4.482 1.00 0.00 N ATOM 950 CA GLY A 61 9.743 10.491 3.186 1.00 0.00 C ATOM 951 C GLY A 61 10.594 9.821 2.124 1.00 0.00 C ATOM 952 O GLY A 61 10.157 9.656 0.983 1.00 0.00 O ATOM 0 H GLY A 61 10.302 10.411 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.701 10.487 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.044 11.535 3.279 1.00 0.00 H new ATOM 956 N ASP A 62 11.804 9.419 2.496 1.00 0.00 N ATOM 957 CA ASP A 62 12.731 8.811 1.543 1.00 0.00 C ATOM 958 C ASP A 62 12.227 7.453 1.088 1.00 0.00 C ATOM 959 O ASP A 62 12.450 7.045 -0.049 1.00 0.00 O ATOM 960 CB ASP A 62 14.126 8.685 2.151 1.00 0.00 C ATOM 961 CG ASP A 62 15.111 8.029 1.205 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.506 8.671 0.208 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.505 6.870 1.461 1.00 0.00 O ATOM 0 H ASP A 62 12.167 9.502 3.446 1.00 0.00 H new ATOM 0 HA ASP A 62 12.792 9.463 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.492 9.675 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.067 8.103 3.071 1.00 0.00 H new ATOM 968 N VAL A 63 11.526 6.774 1.976 1.00 0.00 N ATOM 969 CA VAL A 63 10.900 5.504 1.643 1.00 0.00 C ATOM 970 C VAL A 63 9.879 5.699 0.539 1.00 0.00 C ATOM 971 O VAL A 63 9.937 5.019 -0.474 1.00 0.00 O ATOM 972 CB VAL A 63 10.211 4.875 2.864 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.511 3.583 2.479 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.213 4.621 3.976 1.00 0.00 C ATOM 0 H VAL A 63 11.374 7.080 2.937 1.00 0.00 H new ATOM 0 HA VAL A 63 11.687 4.829 1.307 1.00 0.00 H new ATOM 0 HB VAL A 63 9.462 5.578 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.030 3.154 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.759 3.790 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.242 2.877 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.703 4.176 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.987 3.941 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.669 5.564 4.277 1.00 0.00 H new ATOM 984 N ALA A 64 8.957 6.640 0.725 1.00 0.00 N ATOM 985 CA ALA A 64 7.974 6.954 -0.300 1.00 0.00 C ATOM 986 C ALA A 64 8.647 7.212 -1.645 1.00 0.00 C ATOM 987 O ALA A 64 8.165 6.768 -2.687 1.00 0.00 O ATOM 988 CB ALA A 64 7.153 8.156 0.119 1.00 0.00 C ATOM 0 H ALA A 64 8.873 7.196 1.576 1.00 0.00 H new ATOM 0 HA ALA A 64 7.313 6.095 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.420 8.383 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.638 7.937 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.810 9.014 0.260 1.00 0.00 H new ATOM 994 N GLN A 65 9.784 7.890 -1.605 1.00 0.00 N ATOM 995 CA GLN A 65 10.533 8.200 -2.822 1.00 0.00 C ATOM 996 C GLN A 65 11.143 6.930 -3.410 1.00 0.00 C ATOM 997 O GLN A 65 11.255 6.782 -4.625 1.00 0.00 O ATOM 998 CB GLN A 65 11.630 9.221 -2.526 1.00 0.00 C ATOM 999 CG GLN A 65 11.100 10.533 -1.967 1.00 0.00 C ATOM 1000 CD GLN A 65 12.204 11.511 -1.610 1.00 0.00 C ATOM 1001 OE1 GLN A 65 13.354 10.992 -1.212 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 12.020 12.726 -1.684 1.00 0.00 N flip ATOM 0 H GLN A 65 10.211 8.237 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 65 9.844 8.627 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.335 8.790 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.185 9.423 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.437 10.993 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.501 10.329 -1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.118 13.087 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.769 13.371 -1.434 1.00 0.00 H new ATOM 1011 N LYS A 66 11.512 6.014 -2.524 1.00 0.00 N ATOM 1012 CA LYS A 66 12.061 4.728 -2.893 1.00 0.00 C ATOM 1013 C LYS A 66 11.024 3.884 -3.648 1.00 0.00 C ATOM 1014 O LYS A 66 11.373 2.978 -4.408 1.00 0.00 O ATOM 1015 CB LYS A 66 12.538 4.032 -1.599 1.00 0.00 C ATOM 1016 CG LYS A 66 12.214 2.556 -1.496 1.00 0.00 C ATOM 1017 CD LYS A 66 13.452 1.672 -1.626 1.00 0.00 C ATOM 1018 CE LYS A 66 14.017 1.666 -3.037 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.124 0.963 -3.995 1.00 0.00 N ATOM 0 H LYS A 66 11.435 6.151 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 66 12.904 4.853 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.618 4.156 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.093 4.544 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.731 2.360 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.499 2.290 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.218 2.020 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.199 0.653 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.169 2.693 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.995 1.184 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.698 0.494 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.561 0.251 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.487 1.651 -4.445 1.00 0.00 H new ATOM 1033 N ASN A 67 9.752 4.204 -3.457 1.00 0.00 N ATOM 1034 CA ASN A 67 8.674 3.400 -3.998 1.00 0.00 C ATOM 1035 C ASN A 67 7.964 4.121 -5.121 1.00 0.00 C ATOM 1036 O ASN A 67 7.142 3.524 -5.818 1.00 0.00 O ATOM 1037 CB ASN A 67 7.660 3.138 -2.915 1.00 0.00 C ATOM 1038 CG ASN A 67 8.282 2.805 -1.591 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.773 3.439 -0.561 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 9.236 2.039 -1.501 1.00 0.00 N flip ATOM 0 H ASN A 67 9.444 5.020 -2.928 1.00 0.00 H new ATOM 0 HA ASN A 67 9.105 2.473 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.025 4.017 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.014 2.316 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.594 1.570 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.671 1.871 -0.594 1.00 0.00 H new ATOM 1047 N GLU A 68 8.269 5.410 -5.254 1.00 0.00 N ATOM 1048 CA GLU A 68 7.663 6.279 -6.258 1.00 0.00 C ATOM 1049 C GLU A 68 6.275 6.763 -5.815 1.00 0.00 C ATOM 1050 O GLU A 68 5.409 7.059 -6.640 1.00 0.00 O ATOM 1051 CB GLU A 68 7.568 5.575 -7.610 1.00 0.00 C ATOM 1052 CG GLU A 68 7.326 6.517 -8.779 1.00 0.00 C ATOM 1053 CD GLU A 68 6.945 5.793 -10.050 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.785 5.055 -10.603 1.00 0.00 O ATOM 1055 OE2 GLU A 68 5.797 5.965 -10.509 1.00 0.00 O ATOM 0 H GLU A 68 8.951 5.884 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 68 8.310 7.149 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.491 5.022 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.761 4.844 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.535 7.219 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.226 7.105 -8.958 1.00 0.00 H new ATOM 1062 N VAL A 69 6.060 6.840 -4.510 1.00 0.00 N ATOM 1063 CA VAL A 69 4.834 7.429 -3.987 1.00 0.00 C ATOM 1064 C VAL A 69 5.117 8.805 -3.394 1.00 0.00 C ATOM 1065 O VAL A 69 6.004 8.963 -2.560 1.00 0.00 O ATOM 1066 CB VAL A 69 4.113 6.523 -2.946 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.086 5.742 -2.077 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.183 7.345 -2.064 1.00 0.00 C ATOM 0 H VAL A 69 6.711 6.506 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 69 4.152 7.530 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 69 3.529 5.802 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.529 5.127 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.703 5.101 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.724 6.437 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.691 6.690 -1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.760 8.100 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.431 7.834 -2.684 1.00 0.00 H new ATOM 1078 N SER A 70 4.379 9.803 -3.853 1.00 0.00 N ATOM 1079 CA SER A 70 4.551 11.159 -3.362 1.00 0.00 C ATOM 1080 C SER A 70 3.198 11.850 -3.189 1.00 0.00 C ATOM 1081 O SER A 70 3.133 13.040 -2.880 1.00 0.00 O ATOM 1082 CB SER A 70 5.441 11.948 -4.325 1.00 0.00 C ATOM 1083 OG SER A 70 5.771 13.222 -3.797 1.00 0.00 O ATOM 0 H SER A 70 3.656 9.699 -4.565 1.00 0.00 H new ATOM 0 HA SER A 70 5.033 11.120 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.354 11.386 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.929 12.069 -5.280 1.00 0.00 H new ATOM 0 HG SER A 70 4.999 13.587 -3.316 1.00 0.00 H new ATOM 1089 N ALA A 71 2.124 11.102 -3.391 1.00 0.00 N ATOM 1090 CA ALA A 71 0.780 11.630 -3.206 1.00 0.00 C ATOM 1091 C ALA A 71 0.125 10.968 -2.004 1.00 0.00 C ATOM 1092 O ALA A 71 0.417 9.812 -1.692 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.058 11.419 -4.459 1.00 0.00 C ATOM 0 H ALA A 71 2.157 10.125 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 71 0.847 12.702 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.059 11.821 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.409 11.932 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.125 10.353 -4.676 1.00 0.00 H new ATOM 1099 N MET A 72 -0.747 11.692 -1.325 1.00 0.00 N ATOM 1100 CA MET A 72 -1.373 11.179 -0.121 1.00 0.00 C ATOM 1101 C MET A 72 -2.891 11.223 -0.233 1.00 0.00 C ATOM 1102 O MET A 72 -3.472 12.292 -0.416 1.00 0.00 O ATOM 1103 CB MET A 72 -0.932 11.982 1.107 1.00 0.00 C ATOM 1104 CG MET A 72 0.560 11.927 1.394 1.00 0.00 C ATOM 1105 SD MET A 72 1.536 12.988 0.311 1.00 0.00 S ATOM 1106 CE MET A 72 3.171 12.723 0.987 1.00 0.00 C ATOM 0 H MET A 72 -1.037 12.634 -1.586 1.00 0.00 H new ATOM 0 HA MET A 72 -1.056 10.143 -0.004 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.224 13.023 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.471 11.613 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.734 12.219 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.905 10.898 1.290 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.909 12.779 0.187 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.385 13.489 1.733 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.217 11.739 1.454 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.569 10.070 -0.109 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.937 8.769 0.090 1.00 0.00 C ATOM 1118 C PRO A 73 -2.627 8.039 -1.228 1.00 0.00 C ATOM 1119 O PRO A 73 -3.171 8.377 -2.281 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.990 8.009 0.894 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.312 8.662 0.595 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.033 9.956 -0.131 1.00 0.00 C ATOM 0 HA PRO A 73 -1.968 8.854 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.006 6.956 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.769 8.052 1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.932 8.007 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.862 8.852 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.416 9.931 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.506 10.802 0.367 1.00 0.00 H new ATOM 1130 N THR A 74 -1.747 7.042 -1.155 1.00 0.00 N ATOM 1131 CA THR A 74 -1.354 6.246 -2.315 1.00 0.00 C ATOM 1132 C THR A 74 -1.292 4.765 -1.970 1.00 0.00 C ATOM 1133 O THR A 74 -0.713 4.367 -0.959 1.00 0.00 O ATOM 1134 CB THR A 74 0.021 6.692 -2.866 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.098 7.961 -3.517 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.612 5.666 -3.833 1.00 0.00 C ATOM 0 H THR A 74 -1.286 6.764 -0.289 1.00 0.00 H new ATOM 0 HA THR A 74 -2.114 6.407 -3.080 1.00 0.00 H new ATOM 0 HB THR A 74 0.700 6.776 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.005 8.678 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.577 6.021 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.745 4.715 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.064 5.530 -4.677 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.901 3.960 -2.813 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.832 2.523 -2.683 1.00 0.00 C ATOM 1146 C LEU A 75 -0.834 1.971 -3.687 1.00 0.00 C ATOM 1147 O LEU A 75 -0.949 2.238 -4.883 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.191 1.898 -2.960 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.330 2.326 -2.045 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.189 3.411 -2.697 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.169 1.118 -1.698 1.00 0.00 C ATOM 0 H LEU A 75 -2.456 4.283 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.522 2.282 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.472 2.131 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.089 0.815 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.909 2.750 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.993 3.695 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.572 4.283 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.615 3.029 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.986 1.419 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.577 0.684 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.550 0.379 -1.190 1.00 0.00 H new ATOM 1163 N LEU A 76 0.140 1.217 -3.217 1.00 0.00 N ATOM 1164 CA LEU A 76 1.096 0.589 -4.110 1.00 0.00 C ATOM 1165 C LEU A 76 1.025 -0.927 -3.984 1.00 0.00 C ATOM 1166 O LEU A 76 1.344 -1.494 -2.941 1.00 0.00 O ATOM 1167 CB LEU A 76 2.513 1.098 -3.825 1.00 0.00 C ATOM 1168 CG LEU A 76 3.115 1.978 -4.927 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.452 2.560 -4.486 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.284 1.176 -6.209 1.00 0.00 C ATOM 0 H LEU A 76 0.291 1.024 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 76 0.842 0.856 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.500 1.665 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.167 0.240 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 76 2.430 2.804 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.860 3.181 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.308 3.167 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.147 1.749 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.712 1.813 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.948 0.332 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.312 0.808 -6.539 1.00 0.00 H new ATOM 1182 N LEU A 77 0.578 -1.570 -5.051 1.00 0.00 N ATOM 1183 CA LEU A 77 0.486 -3.020 -5.104 1.00 0.00 C ATOM 1184 C LEU A 77 1.720 -3.560 -5.807 1.00 0.00 C ATOM 1185 O LEU A 77 2.105 -3.056 -6.868 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.759 -3.474 -5.888 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.143 -3.341 -5.223 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.279 -2.060 -4.411 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.199 -3.370 -6.311 1.00 0.00 C ATOM 0 H LEU A 77 0.269 -1.102 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 77 0.413 -3.398 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.785 -2.911 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.619 -4.522 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.270 -4.171 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.272 -2.016 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.526 -2.047 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.136 -1.199 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.188 -3.277 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.034 -2.541 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.135 -4.312 -6.855 1.00 0.00 H new ATOM 1201 N PHE A 78 2.334 -4.576 -5.238 1.00 0.00 N ATOM 1202 CA PHE A 78 3.487 -5.204 -5.863 1.00 0.00 C ATOM 1203 C PHE A 78 3.318 -6.711 -5.901 1.00 0.00 C ATOM 1204 O PHE A 78 2.524 -7.269 -5.146 1.00 0.00 O ATOM 1205 CB PHE A 78 4.772 -4.863 -5.114 1.00 0.00 C ATOM 1206 CG PHE A 78 5.287 -3.471 -5.365 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.762 -2.385 -4.690 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.314 -3.255 -6.271 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.251 -1.115 -4.913 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.804 -1.986 -6.500 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.272 -0.914 -5.819 1.00 0.00 C ATOM 0 H PHE A 78 2.058 -4.986 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 78 3.558 -4.820 -6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.599 -4.986 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.544 -5.579 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.961 -2.533 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.737 -4.093 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.834 -0.275 -4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.602 -1.834 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.653 0.081 -5.994 1.00 0.00 H new ATOM 1221 N LYS A 79 4.033 -7.364 -6.802 1.00 0.00 N ATOM 1222 CA LYS A 79 4.108 -8.811 -6.786 1.00 0.00 C ATOM 1223 C LYS A 79 5.525 -9.263 -7.130 1.00 0.00 C ATOM 1224 O LYS A 79 6.078 -8.850 -8.149 1.00 0.00 O ATOM 1225 CB LYS A 79 3.083 -9.394 -7.759 1.00 0.00 C ATOM 1226 CG LYS A 79 2.690 -10.830 -7.456 1.00 0.00 C ATOM 1227 CD LYS A 79 1.288 -11.125 -7.964 1.00 0.00 C ATOM 1228 CE LYS A 79 0.833 -12.526 -7.596 1.00 0.00 C ATOM 1229 NZ LYS A 79 1.534 -13.572 -8.386 1.00 0.00 N ATOM 0 H LYS A 79 4.566 -6.917 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 79 3.872 -9.179 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.188 -8.772 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.488 -9.345 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.401 -11.512 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.737 -11.005 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.591 -10.397 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.263 -11.009 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.010 -12.696 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.242 -12.611 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.191 -14.511 -8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.345 -13.428 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.558 -13.510 -8.213 1.00 0.00 H new ATOM 1243 N ASN A 80 6.108 -10.077 -6.241 1.00 0.00 N ATOM 1244 CA ASN A 80 7.458 -10.650 -6.404 1.00 0.00 C ATOM 1245 C ASN A 80 8.517 -9.616 -6.806 1.00 0.00 C ATOM 1246 O ASN A 80 9.265 -9.814 -7.763 1.00 0.00 O ATOM 1247 CB ASN A 80 7.476 -11.850 -7.378 1.00 0.00 C ATOM 1248 CG ASN A 80 6.898 -11.564 -8.758 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.629 -11.892 -8.949 1.00 0.00 O flip ATOM 1250 ND2 ASN A 80 7.595 -11.089 -9.655 1.00 0.00 N flip ATOM 0 H ASN A 80 5.652 -10.363 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 80 7.728 -11.013 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.505 -12.190 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.918 -12.672 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.569 -10.848 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.198 -10.936 -10.582 1.00 0.00 H new ATOM 1257 N GLY A 81 8.596 -8.521 -6.055 1.00 0.00 N ATOM 1258 CA GLY A 81 9.632 -7.527 -6.292 1.00 0.00 C ATOM 1259 C GLY A 81 9.339 -6.655 -7.493 1.00 0.00 C ATOM 1260 O GLY A 81 10.149 -5.807 -7.869 1.00 0.00 O ATOM 0 H GLY A 81 7.962 -8.303 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.736 -6.898 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.587 -8.031 -6.438 1.00 0.00 H new ATOM 1264 N LYS A 82 8.186 -6.871 -8.096 1.00 0.00 N ATOM 1265 CA LYS A 82 7.743 -6.071 -9.218 1.00 0.00 C ATOM 1266 C LYS A 82 6.449 -5.391 -8.825 1.00 0.00 C ATOM 1267 O LYS A 82 5.803 -5.819 -7.881 1.00 0.00 O ATOM 1268 CB LYS A 82 7.506 -6.946 -10.450 1.00 0.00 C ATOM 1269 CG LYS A 82 8.679 -7.837 -10.826 1.00 0.00 C ATOM 1270 CD LYS A 82 8.384 -8.605 -12.103 1.00 0.00 C ATOM 1271 CE LYS A 82 9.556 -9.470 -12.529 1.00 0.00 C ATOM 1272 NZ LYS A 82 9.271 -10.188 -13.799 1.00 0.00 N ATOM 0 H LYS A 82 7.532 -7.604 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 82 8.508 -5.336 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.632 -7.573 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.269 -6.302 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.575 -7.230 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.886 -8.536 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.505 -9.233 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.143 -7.903 -12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.442 -8.848 -12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.781 -10.192 -11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.092 -10.770 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.440 -10.800 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.081 -9.497 -14.553 1.00 0.00 H new ATOM 1286 N GLU A 83 6.074 -4.339 -9.523 1.00 0.00 N ATOM 1287 CA GLU A 83 4.803 -3.683 -9.272 1.00 0.00 C ATOM 1288 C GLU A 83 3.667 -4.584 -9.761 1.00 0.00 C ATOM 1289 O GLU A 83 3.907 -5.721 -10.179 1.00 0.00 O ATOM 1290 CB GLU A 83 4.787 -2.326 -9.995 1.00 0.00 C ATOM 1291 CG GLU A 83 3.659 -1.392 -9.572 1.00 0.00 C ATOM 1292 CD GLU A 83 3.816 -0.001 -10.151 1.00 0.00 C ATOM 1293 OE1 GLU A 83 3.390 0.220 -11.305 1.00 0.00 O ATOM 1294 OE2 GLU A 83 4.369 0.881 -9.464 1.00 0.00 O ATOM 0 H GLU A 83 6.629 -3.919 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 83 4.667 -3.508 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.739 -1.826 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.711 -2.502 -11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.705 -1.811 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.631 -1.329 -8.484 1.00 0.00 H new ATOM 1301 N VAL A 84 2.439 -4.110 -9.611 1.00 0.00 N ATOM 1302 CA VAL A 84 1.285 -4.669 -10.305 1.00 0.00 C ATOM 1303 C VAL A 84 0.240 -3.585 -10.510 1.00 0.00 C ATOM 1304 O VAL A 84 -0.451 -3.563 -11.529 1.00 0.00 O ATOM 1305 CB VAL A 84 0.638 -5.872 -9.588 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.330 -7.177 -9.948 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.664 -5.668 -8.098 1.00 0.00 C ATOM 0 H VAL A 84 2.213 -3.324 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 84 1.658 -5.044 -11.258 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.397 -5.938 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.847 -8.002 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.261 -7.341 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.379 -7.126 -9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.204 -6.525 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.696 -5.567 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.111 -4.764 -7.845 1.00 0.00 H new ATOM 1317 N ALA A 85 0.143 -2.670 -9.544 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.782 -1.549 -9.641 1.00 0.00 C ATOM 1319 C ALA A 85 -0.501 -0.497 -8.575 1.00 0.00 C ATOM 1320 O ALA A 85 -0.012 -0.812 -7.498 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.222 -2.038 -9.544 1.00 0.00 C ATOM 0 H ALA A 85 0.696 -2.687 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.635 -1.080 -10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.901 -1.188 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.425 -2.736 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.372 -2.540 -8.588 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.796 0.757 -8.892 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.659 1.849 -7.935 1.00 0.00 C ATOM 1329 C LYS A 86 -1.762 2.878 -8.141 1.00 0.00 C ATOM 1330 O LYS A 86 -2.025 3.303 -9.266 1.00 0.00 O ATOM 1331 CB LYS A 86 0.716 2.518 -8.033 1.00 0.00 C ATOM 1332 CG LYS A 86 1.124 2.935 -9.437 1.00 0.00 C ATOM 1333 CD LYS A 86 2.352 3.830 -9.398 1.00 0.00 C ATOM 1334 CE LYS A 86 2.887 4.124 -10.789 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.570 2.946 -11.383 1.00 0.00 N ATOM 0 H LYS A 86 -1.134 1.045 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.751 1.424 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.722 3.399 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.467 1.832 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.332 2.050 -10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.300 3.461 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.102 4.767 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.131 3.351 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.065 4.431 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.584 4.961 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.785 3.137 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.454 2.761 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.950 2.114 -11.315 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.415 3.264 -7.055 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.549 4.172 -7.132 1.00 0.00 C ATOM 1351 C VAL A 87 -3.420 5.282 -6.099 1.00 0.00 C ATOM 1352 O VAL A 87 -3.298 5.017 -4.904 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.892 3.434 -6.928 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.063 4.384 -7.126 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -5.005 2.246 -7.873 1.00 0.00 C ATOM 0 H VAL A 87 -2.179 2.962 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.544 4.603 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.920 3.061 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.998 3.844 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.996 5.199 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.035 4.790 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.958 1.742 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.949 2.595 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.189 1.549 -7.681 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.453 6.520 -6.560 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.331 7.667 -5.672 1.00 0.00 C ATOM 1367 C VAL A 88 -4.702 8.129 -5.171 1.00 0.00 C ATOM 1368 O VAL A 88 -5.081 9.290 -5.332 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.596 8.840 -6.363 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.136 8.488 -6.590 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.260 9.201 -7.686 1.00 0.00 C ATOM 0 H VAL A 88 -3.563 6.759 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.738 7.347 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.654 9.707 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.632 9.323 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.658 8.284 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.069 7.604 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.722 10.028 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.240 8.337 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.294 9.496 -7.506 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.445 7.218 -4.559 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.750 7.563 -4.039 1.00 0.00 C ATOM 1383 C GLY A 89 -7.594 6.343 -3.755 1.00 0.00 C ATOM 1384 O GLY A 89 -7.740 5.471 -4.613 1.00 0.00 O ATOM 0 H GLY A 89 -5.167 6.247 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.632 8.142 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.267 8.201 -4.755 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.132 6.273 -2.546 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.983 5.170 -2.137 1.00 0.00 C ATOM 1390 C ALA A 90 -10.231 5.067 -2.995 1.00 0.00 C ATOM 1391 O ALA A 90 -11.065 5.972 -3.014 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.377 5.338 -0.689 1.00 0.00 C ATOM 0 H ALA A 90 -7.990 6.979 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.413 4.250 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.016 4.508 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.482 5.352 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.919 6.276 -0.566 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.344 3.971 -3.715 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.551 3.681 -4.461 1.00 0.00 C ATOM 1400 C ASN A 91 -12.174 2.409 -3.910 1.00 0.00 C ATOM 1401 O ASN A 91 -11.866 1.317 -4.382 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.236 3.533 -5.946 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.196 4.318 -6.824 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.680 5.446 -6.322 1.00 0.00 O flip ATOM 1405 ND2 ASN A 91 -12.499 3.915 -7.947 1.00 0.00 N flip ATOM 0 H ASN A 91 -9.613 3.265 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.258 4.504 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.217 3.872 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.277 2.479 -6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.106 3.042 -8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.143 4.454 -8.526 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.068 2.560 -2.912 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.610 1.474 -2.090 1.00 0.00 C ATOM 1414 C PRO A 92 -13.606 0.085 -2.738 1.00 0.00 C ATOM 1415 O PRO A 92 -12.668 -0.682 -2.540 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.024 1.968 -1.821 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.874 3.451 -1.690 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.648 3.847 -2.490 1.00 0.00 C ATOM 0 HA PRO A 92 -12.999 1.299 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.699 1.706 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.434 1.527 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.760 3.963 -2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.760 3.736 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.913 4.466 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.946 4.423 -1.887 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.618 -0.229 -3.535 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.762 -1.580 -4.072 1.00 0.00 C ATOM 1428 C ALA A 93 -13.871 -1.805 -5.283 1.00 0.00 C ATOM 1429 O ALA A 93 -13.435 -2.928 -5.535 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.213 -1.864 -4.422 1.00 0.00 C ATOM 0 H ALA A 93 -15.346 0.424 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.443 -2.275 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.300 -2.875 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.828 -1.773 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.553 -1.149 -5.170 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.582 -0.739 -6.014 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.766 -0.848 -7.214 1.00 0.00 C ATOM 1438 C ALA A 94 -11.354 -1.286 -6.871 1.00 0.00 C ATOM 1439 O ALA A 94 -10.735 -2.050 -7.611 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.743 0.471 -7.968 1.00 0.00 C ATOM 0 H ALA A 94 -13.898 0.207 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.212 -1.607 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.128 0.368 -8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.758 0.743 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.326 1.249 -7.328 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.844 -0.820 -5.742 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.497 -1.173 -5.344 1.00 0.00 C ATOM 1448 C ILE A 95 -9.474 -2.533 -4.658 1.00 0.00 C ATOM 1449 O ILE A 95 -8.492 -3.265 -4.771 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.843 -0.107 -4.443 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.861 1.260 -5.127 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.413 -0.500 -4.117 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.235 1.262 -6.505 1.00 0.00 C ATOM 0 H ILE A 95 -11.337 -0.205 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.906 -1.224 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.416 -0.043 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.893 1.603 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.334 1.978 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.963 0.261 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.409 -1.458 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.840 -0.586 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.285 2.266 -6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.193 0.951 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.775 0.570 -7.151 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.554 -2.895 -3.966 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.656 -4.253 -3.438 1.00 0.00 C ATOM 1467 C LYS A 96 -10.628 -5.224 -4.612 1.00 0.00 C ATOM 1468 O LYS A 96 -9.980 -6.271 -4.566 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.927 -4.485 -2.604 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.250 -3.384 -1.616 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.324 -3.817 -0.632 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.652 -4.066 -1.326 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.620 -4.748 -0.435 1.00 0.00 N ATOM 0 H LYS A 96 -11.348 -2.288 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.814 -4.415 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.772 -4.605 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.820 -5.423 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.347 -3.105 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.584 -2.497 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.005 -4.725 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.450 -3.049 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.071 -3.117 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.488 -4.672 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.514 -4.900 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.231 -5.665 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.796 -4.158 0.403 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.316 -4.839 -5.683 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.282 -5.589 -6.928 1.00 0.00 C ATOM 1489 C GLN A 97 -9.889 -5.576 -7.539 1.00 0.00 C ATOM 1490 O GLN A 97 -9.492 -6.531 -8.202 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.291 -5.031 -7.926 1.00 0.00 C ATOM 1492 CG GLN A 97 -13.683 -5.613 -7.766 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.671 -7.130 -7.773 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.623 -7.769 -6.721 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -13.653 -7.713 -8.960 1.00 0.00 N ATOM 0 H GLN A 97 -11.906 -4.007 -5.710 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.549 -6.620 -6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.343 -3.948 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.937 -5.228 -8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.119 -5.259 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.321 -5.252 -8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.695 -7.146 -9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.598 -8.729 -9.028 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.142 -4.504 -7.301 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.796 -4.391 -7.826 1.00 0.00 C ATOM 1506 C ALA A 98 -6.906 -5.430 -7.177 1.00 0.00 C ATOM 1507 O ALA A 98 -6.257 -6.210 -7.856 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.240 -2.994 -7.609 1.00 0.00 C ATOM 0 H ALA A 98 -9.450 -3.704 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.825 -4.570 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.229 -2.938 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.874 -2.267 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.217 -2.773 -6.542 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.908 -5.456 -5.858 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.089 -6.398 -5.105 1.00 0.00 C ATOM 1516 C ILE A 99 -6.320 -7.826 -5.597 1.00 0.00 C ATOM 1517 O ILE A 99 -5.380 -8.600 -5.756 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.378 -6.345 -3.586 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.537 -4.905 -3.097 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.254 -7.035 -2.845 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.520 -3.958 -3.666 1.00 0.00 C ATOM 0 H ILE A 99 -7.470 -4.833 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.052 -6.105 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.319 -6.859 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.535 -4.551 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.466 -4.890 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.450 -7.002 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.188 -8.073 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.313 -6.528 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.696 -2.956 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.519 -4.287 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.605 -3.942 -4.753 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.579 -8.148 -5.867 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.943 -9.469 -6.372 1.00 0.00 C ATOM 1535 C ALA A 100 -7.511 -9.645 -7.828 1.00 0.00 C ATOM 1536 O ALA A 100 -7.180 -10.747 -8.261 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.444 -9.687 -6.233 1.00 0.00 C ATOM 0 H ALA A 100 -8.367 -7.512 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.419 -10.216 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.705 -10.675 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.726 -9.616 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.977 -8.927 -6.804 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.510 -8.549 -8.575 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.132 -8.564 -9.984 1.00 0.00 C ATOM 1545 C ALA A 101 -5.627 -8.742 -10.160 1.00 0.00 C ATOM 1546 O ALA A 101 -5.172 -9.395 -11.099 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.584 -7.275 -10.660 1.00 0.00 C ATOM 0 H ALA A 101 -7.770 -7.627 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.628 -9.415 -10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.297 -7.296 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.667 -7.183 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.111 -6.423 -10.172 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.861 -8.156 -9.255 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.404 -8.186 -9.347 1.00 0.00 C ATOM 1555 C ASN A 102 -2.839 -9.446 -8.703 1.00 0.00 C ATOM 1556 O ASN A 102 -1.713 -9.846 -8.992 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.799 -6.938 -8.700 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.245 -5.663 -9.383 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.694 -5.264 -10.406 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.222 -5.000 -8.790 1.00 0.00 N ATOM 0 H ASN A 102 -5.221 -7.652 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.135 -8.197 -10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.083 -6.903 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.712 -7.005 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.549 -4.116 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.649 -5.372 -7.942 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.624 -10.061 -7.828 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.223 -11.305 -7.189 1.00 0.00 C ATOM 1569 C ALA A 103 -3.358 -12.474 -8.159 1.00 0.00 C ATOM 1570 O ALA A 103 -4.491 -12.957 -8.359 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.052 -11.552 -5.938 1.00 0.00 C ATOM 1572 OXT ALA A 103 -2.329 -12.913 -8.715 1.00 0.00 O ATOM 0 H ALA A 103 -4.542 -9.718 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.176 -11.220 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.739 -12.487 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.906 -10.731 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.106 -11.616 -6.207 1.00 0.00 H new TER 1578 ALA A 103