USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1125 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 94 LYS NZ :NH3+ -175:sc= 0.141 (180deg=0.131) USER MOD Set 1.2: A 112 MET CE :methyl 172:sc= 0 (180deg=-0.0434) USER MOD Set 1.3: A 143 THR OG1 : rot 60:sc= 1.23 USER MOD Set 2.1: A 64 GLN : amide:sc= 0.991 K(o=2.1,f=0.32) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0141 K(o=2.1,f=0.54) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.14 K(o=2.1,f=-9!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.15 K(o=2.2,f=-0.25) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.05 K(o=2.2,f=0.99) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0129) USER MOD Single : A 5 MET CE :methyl -117:sc= 0 (180deg=-0.185) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 164:sc= -0.099 (180deg=-0.814) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0885 X(o=-0.088,f=-0.0087) USER MOD Single : A 30 MET CE :methyl -132:sc= -0.0213 (180deg=-0.346) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.0041) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.259 K(o=-0.26,f=-0.88) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0339) USER MOD Single : A 66 MET CE :methyl -171:sc= 0 (180deg=-0.101) USER MOD Single : A 70 HIS : no HD1:sc= 0.484 K(o=1.7,f=-7.5!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0295) USER MOD Single : A 74 MET CE :methyl -162:sc= -0.136 (180deg=-0.572) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.011 (180deg=-0.327) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-5.8!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.347 X(o=-0.35,f=0.0077) USER MOD Single : A 95 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.7 K(o=-1.7,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.201 USER MOD Single : A 114 ASN : amide:sc= 0.627 K(o=0.63,f=-0.85) USER MOD Single : A 117 MET CE :methyl -164:sc= -0.0259 (180deg=-0.355) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 0.905 (180deg=0.774) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.093 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.617 -1.444 16.201 1.00 53.32 N ATOM 2 CA SER A 1 23.184 -1.714 14.821 1.00 21.12 C ATOM 3 C SER A 1 22.904 -3.074 14.208 1.00 15.50 C ATOM 4 O SER A 1 22.601 -3.179 13.023 1.00 72.23 O ATOM 5 CB SER A 1 24.737 -1.506 14.820 1.00 40.35 C ATOM 6 OG SER A 1 25.443 -2.383 15.708 1.00 33.11 O ATOM 0 H1 SER A 1 22.880 -0.484 16.502 1.00 53.32 H new ATOM 0 H2 SER A 1 21.581 -1.527 16.173 1.00 53.32 H new ATOM 0 H3 SER A 1 23.001 -2.136 16.876 1.00 53.32 H new ATOM 0 HA SER A 1 22.652 -0.994 14.199 1.00 21.12 H new ATOM 0 HB2 SER A 1 25.112 -1.652 13.807 1.00 40.35 H new ATOM 0 HB3 SER A 1 24.955 -0.474 15.095 1.00 40.35 H new ATOM 0 HG SER A 1 26.404 -2.199 15.654 1.00 33.11 H new ATOM 14 N LYS A 2 23.000 -4.166 14.994 1.00 24.23 N ATOM 15 CA LYS A 2 22.890 -5.522 14.502 1.00 45.43 C ATOM 16 C LYS A 2 21.471 -5.900 14.118 1.00 14.03 C ATOM 17 O LYS A 2 21.245 -6.604 13.137 1.00 11.31 O ATOM 18 CB LYS A 2 23.499 -6.532 15.518 1.00 72.34 C ATOM 19 CG LYS A 2 22.802 -6.646 16.888 1.00 4.41 C ATOM 20 CD LYS A 2 23.474 -7.663 17.835 1.00 24.31 C ATOM 21 CE LYS A 2 24.861 -7.273 18.362 1.00 33.52 C ATOM 22 NZ LYS A 2 24.770 -6.107 19.264 1.00 23.33 N ATOM 0 H LYS A 2 23.158 -4.112 16.000 1.00 24.23 H new ATOM 0 HA LYS A 2 23.472 -5.571 13.582 1.00 45.43 H new ATOM 0 HB2 LYS A 2 23.502 -7.519 15.055 1.00 72.34 H new ATOM 0 HB3 LYS A 2 24.540 -6.257 15.688 1.00 72.34 H new ATOM 0 HG2 LYS A 2 22.794 -5.666 17.366 1.00 4.41 H new ATOM 0 HG3 LYS A 2 21.762 -6.935 16.735 1.00 4.41 H new ATOM 0 HD2 LYS A 2 22.815 -7.826 18.688 1.00 24.31 H new ATOM 0 HD3 LYS A 2 23.560 -8.615 17.312 1.00 24.31 H new ATOM 0 HE2 LYS A 2 25.303 -8.116 18.893 1.00 33.52 H new ATOM 0 HE3 LYS A 2 25.521 -7.041 17.526 1.00 33.52 H new ATOM 0 HZ1 LYS A 2 25.712 -5.891 19.649 1.00 23.33 H new ATOM 0 HZ2 LYS A 2 24.416 -5.285 18.734 1.00 23.33 H new ATOM 0 HZ3 LYS A 2 24.118 -6.322 20.045 1.00 23.33 H new ATOM 36 N GLU A 3 20.457 -5.377 14.855 1.00 53.35 N ATOM 37 CA GLU A 3 19.053 -5.696 14.638 1.00 53.43 C ATOM 38 C GLU A 3 18.416 -4.884 13.545 1.00 13.24 C ATOM 39 O GLU A 3 17.254 -5.056 13.191 1.00 20.42 O ATOM 40 CB GLU A 3 18.207 -5.562 15.936 1.00 2.21 C ATOM 41 CG GLU A 3 18.613 -6.561 17.048 1.00 65.23 C ATOM 42 CD GLU A 3 17.751 -6.413 18.304 1.00 73.33 C ATOM 43 OE1 GLU A 3 16.523 -6.667 18.211 1.00 21.30 O ATOM 44 OE2 GLU A 3 18.326 -6.056 19.365 1.00 73.41 O ATOM 0 H GLU A 3 20.610 -4.718 15.619 1.00 53.35 H new ATOM 0 HA GLU A 3 19.057 -6.739 14.321 1.00 53.43 H new ATOM 0 HB2 GLU A 3 18.304 -4.546 16.319 1.00 2.21 H new ATOM 0 HB3 GLU A 3 17.155 -5.712 15.691 1.00 2.21 H new ATOM 0 HG2 GLU A 3 18.526 -7.579 16.668 1.00 65.23 H new ATOM 0 HG3 GLU A 3 19.660 -6.406 17.308 1.00 65.23 H new ATOM 51 N VAL A 4 19.227 -3.994 12.976 1.00 13.13 N ATOM 52 CA VAL A 4 18.921 -3.247 11.756 1.00 32.34 C ATOM 53 C VAL A 4 18.919 -4.175 10.558 1.00 75.22 C ATOM 54 O VAL A 4 18.076 -4.087 9.668 1.00 53.53 O ATOM 55 CB VAL A 4 19.923 -2.138 11.437 1.00 43.32 C ATOM 56 CG1 VAL A 4 19.615 -1.415 10.102 1.00 44.51 C ATOM 57 CG2 VAL A 4 19.989 -1.110 12.570 1.00 12.51 C ATOM 0 H VAL A 4 20.143 -3.765 13.362 1.00 13.13 H new ATOM 0 HA VAL A 4 17.945 -2.798 11.943 1.00 32.34 H new ATOM 0 HB VAL A 4 20.890 -2.630 11.333 1.00 43.32 H new ATOM 0 HG11 VAL A 4 20.360 -0.638 9.929 1.00 44.51 H new ATOM 0 HG12 VAL A 4 19.644 -2.134 9.284 1.00 44.51 H new ATOM 0 HG13 VAL A 4 18.624 -0.963 10.153 1.00 44.51 H new ATOM 0 HG21 VAL A 4 20.710 -0.333 12.315 1.00 12.51 H new ATOM 0 HG22 VAL A 4 19.006 -0.661 12.711 1.00 12.51 H new ATOM 0 HG23 VAL A 4 20.298 -1.603 13.491 1.00 12.51 H new ATOM 67 N MET A 5 19.965 -5.033 10.498 1.00 52.23 N ATOM 68 CA MET A 5 20.558 -5.498 9.270 1.00 13.11 C ATOM 69 C MET A 5 19.653 -6.397 8.452 1.00 54.15 C ATOM 70 O MET A 5 19.601 -6.311 7.226 1.00 53.24 O ATOM 71 CB MET A 5 21.887 -6.246 9.551 1.00 65.44 C ATOM 72 CG MET A 5 22.997 -5.330 10.108 1.00 75.02 C ATOM 73 SD MET A 5 24.559 -6.187 10.484 1.00 11.41 S ATOM 74 CE MET A 5 25.108 -6.445 8.771 1.00 72.23 C ATOM 0 H MET A 5 20.412 -5.415 11.331 1.00 52.23 H new ATOM 0 HA MET A 5 20.739 -4.599 8.681 1.00 13.11 H new ATOM 0 HB2 MET A 5 21.699 -7.051 10.261 1.00 65.44 H new ATOM 0 HB3 MET A 5 22.237 -6.710 8.629 1.00 65.44 H new ATOM 0 HG2 MET A 5 23.195 -4.539 9.385 1.00 75.02 H new ATOM 0 HG3 MET A 5 22.633 -4.849 11.016 1.00 75.02 H new ATOM 0 HE1 MET A 5 25.166 -7.514 8.565 1.00 72.23 H new ATOM 0 HE2 MET A 5 24.397 -5.981 8.087 1.00 72.23 H new ATOM 0 HE3 MET A 5 26.091 -5.995 8.632 1.00 72.23 H new ATOM 84 N LYS A 6 18.939 -7.316 9.137 1.00 23.34 N ATOM 85 CA LYS A 6 18.124 -8.323 8.502 1.00 71.32 C ATOM 86 C LYS A 6 16.691 -7.837 8.379 1.00 34.23 C ATOM 87 O LYS A 6 16.057 -7.461 9.363 1.00 14.10 O ATOM 88 CB LYS A 6 18.172 -9.647 9.308 1.00 42.15 C ATOM 89 CG LYS A 6 17.379 -10.834 8.722 1.00 54.41 C ATOM 90 CD LYS A 6 17.903 -11.337 7.366 1.00 52.24 C ATOM 91 CE LYS A 6 17.206 -12.621 6.912 1.00 62.44 C ATOM 92 NZ LYS A 6 17.763 -13.066 5.620 1.00 42.50 N ATOM 0 H LYS A 6 18.925 -7.363 10.156 1.00 23.34 H new ATOM 0 HA LYS A 6 18.519 -8.510 7.504 1.00 71.32 H new ATOM 0 HB2 LYS A 6 19.215 -9.949 9.409 1.00 42.15 H new ATOM 0 HB3 LYS A 6 17.799 -9.449 10.313 1.00 42.15 H new ATOM 0 HG2 LYS A 6 17.401 -11.658 9.435 1.00 54.41 H new ATOM 0 HG3 LYS A 6 16.336 -10.538 8.608 1.00 54.41 H new ATOM 0 HD2 LYS A 6 17.758 -10.562 6.613 1.00 52.24 H new ATOM 0 HD3 LYS A 6 18.976 -11.515 7.437 1.00 52.24 H new ATOM 0 HE2 LYS A 6 17.337 -13.401 7.662 1.00 62.44 H new ATOM 0 HE3 LYS A 6 16.134 -12.448 6.816 1.00 62.44 H new ATOM 0 HZ1 LYS A 6 17.285 -13.939 5.318 1.00 42.50 H new ATOM 0 HZ2 LYS A 6 17.616 -12.325 4.905 1.00 42.50 H new ATOM 0 HZ3 LYS A 6 18.781 -13.248 5.725 1.00 42.50 H new ATOM 106 N GLN A 7 16.135 -7.846 7.145 1.00 5.32 N ATOM 107 CA GLN A 7 14.755 -7.480 6.897 1.00 21.44 C ATOM 108 C GLN A 7 13.779 -8.535 7.402 1.00 25.25 C ATOM 109 O GLN A 7 14.056 -9.733 7.377 1.00 42.32 O ATOM 110 CB GLN A 7 14.509 -7.196 5.388 1.00 22.21 C ATOM 111 CG GLN A 7 14.707 -8.412 4.451 1.00 42.51 C ATOM 112 CD GLN A 7 14.488 -8.019 2.987 1.00 31.14 C ATOM 113 OE1 GLN A 7 13.386 -8.147 2.450 1.00 53.22 O ATOM 114 NE2 GLN A 7 15.566 -7.531 2.318 1.00 55.30 N ATOM 0 H GLN A 7 16.647 -8.111 6.303 1.00 5.32 H new ATOM 0 HA GLN A 7 14.571 -6.564 7.459 1.00 21.44 H new ATOM 0 HB2 GLN A 7 13.492 -6.824 5.265 1.00 22.21 H new ATOM 0 HB3 GLN A 7 15.181 -6.399 5.070 1.00 22.21 H new ATOM 0 HG2 GLN A 7 15.713 -8.813 4.577 1.00 42.51 H new ATOM 0 HG3 GLN A 7 14.011 -9.205 4.726 1.00 42.51 H new ATOM 0 HE21 GLN A 7 16.463 -7.439 2.795 1.00 55.30 H new ATOM 0 HE22 GLN A 7 15.478 -7.257 1.339 1.00 55.30 H new ATOM 123 N MET A 8 12.601 -8.091 7.892 1.00 34.23 N ATOM 124 CA MET A 8 11.615 -8.956 8.507 1.00 61.31 C ATOM 125 C MET A 8 10.270 -8.661 7.885 1.00 25.33 C ATOM 126 O MET A 8 9.994 -7.533 7.479 1.00 51.44 O ATOM 127 CB MET A 8 11.515 -8.739 10.042 1.00 34.11 C ATOM 128 CG MET A 8 12.804 -9.085 10.818 1.00 63.43 C ATOM 129 SD MET A 8 13.303 -10.831 10.698 1.00 61.44 S ATOM 130 CE MET A 8 14.848 -10.598 11.620 1.00 22.52 C ATOM 0 H MET A 8 12.321 -7.110 7.863 1.00 34.23 H new ATOM 0 HA MET A 8 11.919 -9.989 8.339 1.00 61.31 H new ATOM 0 HB2 MET A 8 11.258 -7.697 10.234 1.00 34.11 H new ATOM 0 HB3 MET A 8 10.697 -9.346 10.430 1.00 34.11 H new ATOM 0 HG2 MET A 8 13.617 -8.460 10.447 1.00 63.43 H new ATOM 0 HG3 MET A 8 12.661 -8.831 11.868 1.00 63.43 H new ATOM 0 HE1 MET A 8 15.373 -11.550 11.697 1.00 22.52 H new ATOM 0 HE2 MET A 8 15.478 -9.877 11.098 1.00 22.52 H new ATOM 0 HE3 MET A 8 14.623 -10.226 12.620 1.00 22.52 H new ATOM 140 N THR A 9 9.396 -9.685 7.799 1.00 11.14 N ATOM 141 CA THR A 9 8.040 -9.561 7.286 1.00 33.43 C ATOM 142 C THR A 9 7.077 -9.857 8.413 1.00 74.20 C ATOM 143 O THR A 9 7.386 -10.635 9.313 1.00 12.31 O ATOM 144 CB THR A 9 7.741 -10.483 6.102 1.00 34.13 C ATOM 145 OG1 THR A 9 7.949 -11.861 6.408 1.00 4.30 O ATOM 146 CG2 THR A 9 8.644 -10.120 4.909 1.00 41.13 C ATOM 0 H THR A 9 9.629 -10.634 8.093 1.00 11.14 H new ATOM 0 HA THR A 9 7.925 -8.543 6.913 1.00 33.43 H new ATOM 0 HB THR A 9 6.688 -10.338 5.860 1.00 34.13 H new ATOM 0 HG1 THR A 9 7.743 -12.406 5.620 1.00 4.30 H new ATOM 0 HG21 THR A 9 8.424 -10.782 4.071 1.00 41.13 H new ATOM 0 HG22 THR A 9 8.459 -9.087 4.614 1.00 41.13 H new ATOM 0 HG23 THR A 9 9.689 -10.234 5.196 1.00 41.13 H new ATOM 154 N ILE A 10 5.871 -9.244 8.393 1.00 22.30 N ATOM 155 CA ILE A 10 4.890 -9.430 9.450 1.00 12.52 C ATOM 156 C ILE A 10 3.734 -10.219 8.860 1.00 75.13 C ATOM 157 O ILE A 10 3.051 -9.765 7.945 1.00 73.44 O ATOM 158 CB ILE A 10 4.408 -8.098 10.029 1.00 20.14 C ATOM 159 CG1 ILE A 10 5.585 -7.286 10.634 1.00 34.40 C ATOM 160 CG2 ILE A 10 3.300 -8.318 11.085 1.00 44.35 C ATOM 161 CD1 ILE A 10 5.207 -5.856 11.043 1.00 2.31 C ATOM 0 H ILE A 10 5.568 -8.617 7.648 1.00 22.30 H new ATOM 0 HA ILE A 10 5.343 -9.970 10.281 1.00 12.52 H new ATOM 0 HB ILE A 10 3.986 -7.519 9.208 1.00 20.14 H new ATOM 0 HG12 ILE A 10 5.967 -7.814 11.507 1.00 34.40 H new ATOM 0 HG13 ILE A 10 6.396 -7.243 9.907 1.00 34.40 H new ATOM 0 HG21 ILE A 10 2.977 -7.355 11.479 1.00 44.35 H new ATOM 0 HG22 ILE A 10 2.452 -8.824 10.623 1.00 44.35 H new ATOM 0 HG23 ILE A 10 3.689 -8.931 11.898 1.00 44.35 H new ATOM 0 HD11 ILE A 10 6.081 -5.353 11.457 1.00 2.31 H new ATOM 0 HD12 ILE A 10 4.853 -5.309 10.169 1.00 2.31 H new ATOM 0 HD13 ILE A 10 4.418 -5.889 11.794 1.00 2.31 H new ATOM 173 N ASN A 11 3.480 -11.442 9.384 1.00 73.21 N ATOM 174 CA ASN A 11 2.418 -12.332 8.934 1.00 71.10 C ATOM 175 C ASN A 11 1.020 -11.792 9.204 1.00 74.15 C ATOM 176 O ASN A 11 0.124 -11.894 8.369 1.00 70.44 O ATOM 177 CB ASN A 11 2.557 -13.722 9.599 1.00 55.10 C ATOM 178 CG ASN A 11 3.806 -14.433 9.079 1.00 31.41 C ATOM 179 OD1 ASN A 11 4.835 -14.453 9.757 1.00 71.21 O ATOM 180 ND2 ASN A 11 3.718 -15.029 7.862 1.00 60.04 N ATOM 0 H ASN A 11 4.029 -11.833 10.149 1.00 73.21 H new ATOM 0 HA ASN A 11 2.535 -12.411 7.853 1.00 71.10 H new ATOM 0 HB2 ASN A 11 2.617 -13.611 10.682 1.00 55.10 H new ATOM 0 HB3 ASN A 11 1.673 -14.324 9.389 1.00 55.10 H new ATOM 0 HD21 ASN A 11 4.524 -15.519 7.474 1.00 60.04 H new ATOM 0 HD22 ASN A 11 2.845 -14.987 7.336 1.00 60.04 H new ATOM 187 N PHE A 12 0.803 -11.174 10.385 1.00 33.24 N ATOM 188 CA PHE A 12 -0.490 -10.683 10.830 1.00 64.21 C ATOM 189 C PHE A 12 -0.841 -9.308 10.273 1.00 15.02 C ATOM 190 O PHE A 12 -1.847 -8.710 10.647 1.00 43.31 O ATOM 191 CB PHE A 12 -0.601 -10.712 12.388 1.00 72.34 C ATOM 192 CG PHE A 12 0.456 -9.916 13.113 1.00 50.11 C ATOM 193 CD1 PHE A 12 0.269 -8.546 13.367 1.00 43.12 C ATOM 194 CD2 PHE A 12 1.607 -10.548 13.617 1.00 72.31 C ATOM 195 CE1 PHE A 12 1.217 -7.817 14.094 1.00 63.15 C ATOM 196 CE2 PHE A 12 2.556 -9.824 14.350 1.00 20.21 C ATOM 197 CZ PHE A 12 2.362 -8.456 14.586 1.00 63.21 C ATOM 0 H PHE A 12 1.548 -11.006 11.061 1.00 33.24 H new ATOM 0 HA PHE A 12 -1.231 -11.369 10.420 1.00 64.21 H new ATOM 0 HB2 PHE A 12 -1.582 -10.333 12.675 1.00 72.34 H new ATOM 0 HB3 PHE A 12 -0.549 -11.748 12.723 1.00 72.34 H new ATOM 0 HD1 PHE A 12 -0.616 -8.050 12.997 1.00 43.12 H new ATOM 0 HD2 PHE A 12 1.761 -11.602 13.437 1.00 72.31 H new ATOM 0 HE1 PHE A 12 1.066 -6.763 14.275 1.00 63.15 H new ATOM 0 HE2 PHE A 12 3.436 -10.319 14.733 1.00 20.21 H new ATOM 0 HZ PHE A 12 3.095 -7.895 15.147 1.00 63.21 H new ATOM 207 N ALA A 13 -0.019 -8.782 9.339 1.00 31.32 N ATOM 208 CA ALA A 13 -0.257 -7.561 8.599 1.00 14.34 C ATOM 209 C ALA A 13 -1.323 -7.659 7.540 1.00 4.22 C ATOM 210 O ALA A 13 -1.845 -6.643 7.084 1.00 23.53 O ATOM 211 CB ALA A 13 1.029 -7.105 7.917 1.00 40.21 C ATOM 0 H ALA A 13 0.861 -9.229 9.082 1.00 31.32 H new ATOM 0 HA ALA A 13 -0.607 -6.848 9.346 1.00 14.34 H new ATOM 0 HB1 ALA A 13 0.841 -6.186 7.363 1.00 40.21 H new ATOM 0 HB2 ALA A 13 1.796 -6.924 8.670 1.00 40.21 H new ATOM 0 HB3 ALA A 13 1.371 -7.879 7.230 1.00 40.21 H new ATOM 217 N LYS A 14 -1.677 -8.884 7.108 1.00 23.44 N ATOM 218 CA LYS A 14 -2.612 -9.092 6.025 1.00 42.24 C ATOM 219 C LYS A 14 -4.010 -8.531 6.284 1.00 61.55 C ATOM 220 O LYS A 14 -4.497 -7.842 5.384 1.00 32.12 O ATOM 221 CB LYS A 14 -2.704 -10.597 5.656 1.00 12.32 C ATOM 222 CG LYS A 14 -1.366 -11.195 5.179 1.00 1.44 C ATOM 223 CD LYS A 14 -0.721 -10.418 4.020 1.00 44.11 C ATOM 224 CE LYS A 14 0.461 -11.147 3.386 1.00 41.42 C ATOM 225 NZ LYS A 14 0.976 -10.347 2.259 1.00 44.42 N ATOM 0 H LYS A 14 -1.313 -9.748 7.511 1.00 23.44 H new ATOM 0 HA LYS A 14 -2.208 -8.526 5.185 1.00 42.24 H new ATOM 0 HB2 LYS A 14 -3.054 -11.155 6.524 1.00 12.32 H new ATOM 0 HB3 LYS A 14 -3.451 -10.726 4.872 1.00 12.32 H new ATOM 0 HG2 LYS A 14 -0.671 -11.222 6.018 1.00 1.44 H new ATOM 0 HG3 LYS A 14 -1.530 -12.226 4.867 1.00 1.44 H new ATOM 0 HD2 LYS A 14 -1.474 -10.229 3.255 1.00 44.11 H new ATOM 0 HD3 LYS A 14 -0.386 -9.447 4.385 1.00 44.11 H new ATOM 0 HE2 LYS A 14 1.246 -11.303 4.126 1.00 41.42 H new ATOM 0 HE3 LYS A 14 0.151 -12.132 3.037 1.00 41.42 H new ATOM 0 HZ1 LYS A 14 1.782 -10.839 1.823 1.00 44.42 H new ATOM 0 HZ2 LYS A 14 0.224 -10.220 1.552 1.00 44.42 H new ATOM 0 HZ3 LYS A 14 1.285 -9.417 2.606 1.00 44.42 H new ATOM 239 N PRO A 15 -4.712 -8.687 7.418 1.00 1.12 N ATOM 240 CA PRO A 15 -5.919 -7.915 7.669 1.00 71.31 C ATOM 241 C PRO A 15 -5.647 -6.440 7.910 1.00 43.24 C ATOM 242 O PRO A 15 -6.525 -5.629 7.630 1.00 64.35 O ATOM 243 CB PRO A 15 -6.527 -8.573 8.910 1.00 73.12 C ATOM 244 CG PRO A 15 -5.352 -9.193 9.666 1.00 62.02 C ATOM 245 CD PRO A 15 -4.344 -9.527 8.564 1.00 35.51 C ATOM 0 HA PRO A 15 -6.583 -7.926 6.804 1.00 71.31 H new ATOM 0 HB2 PRO A 15 -7.047 -7.840 9.527 1.00 73.12 H new ATOM 0 HB3 PRO A 15 -7.258 -9.332 8.632 1.00 73.12 H new ATOM 0 HG2 PRO A 15 -4.933 -8.498 10.394 1.00 62.02 H new ATOM 0 HG3 PRO A 15 -5.655 -10.085 10.215 1.00 62.02 H new ATOM 0 HD2 PRO A 15 -3.325 -9.319 8.890 1.00 35.51 H new ATOM 0 HD3 PRO A 15 -4.386 -10.585 8.303 1.00 35.51 H new ATOM 253 N MET A 16 -4.459 -6.050 8.429 1.00 74.23 N ATOM 254 CA MET A 16 -4.162 -4.667 8.754 1.00 72.41 C ATOM 255 C MET A 16 -4.046 -3.794 7.511 1.00 61.33 C ATOM 256 O MET A 16 -4.591 -2.694 7.458 1.00 11.31 O ATOM 257 CB MET A 16 -2.851 -4.558 9.566 1.00 12.31 C ATOM 258 CG MET A 16 -2.895 -5.188 10.973 1.00 13.22 C ATOM 259 SD MET A 16 -1.270 -5.323 11.803 1.00 30.34 S ATOM 260 CE MET A 16 -0.421 -3.826 11.214 1.00 11.14 C ATOM 0 H MET A 16 -3.694 -6.695 8.627 1.00 74.23 H new ATOM 0 HA MET A 16 -4.999 -4.307 9.353 1.00 72.41 H new ATOM 0 HB2 MET A 16 -2.050 -5.032 8.998 1.00 12.31 H new ATOM 0 HB3 MET A 16 -2.591 -3.504 9.665 1.00 12.31 H new ATOM 0 HG2 MET A 16 -3.560 -4.595 11.601 1.00 13.22 H new ATOM 0 HG3 MET A 16 -3.332 -6.184 10.897 1.00 13.22 H new ATOM 0 HE1 MET A 16 0.447 -3.628 11.843 1.00 11.14 H new ATOM 0 HE2 MET A 16 -0.096 -3.973 10.184 1.00 11.14 H new ATOM 0 HE3 MET A 16 -1.104 -2.978 11.261 1.00 11.14 H new ATOM 270 N GLU A 17 -3.345 -4.289 6.459 1.00 1.11 N ATOM 271 CA GLU A 17 -3.199 -3.589 5.193 1.00 54.03 C ATOM 272 C GLU A 17 -4.485 -3.585 4.394 1.00 65.43 C ATOM 273 O GLU A 17 -4.795 -2.635 3.673 1.00 71.35 O ATOM 274 CB GLU A 17 -2.039 -4.155 4.321 1.00 74.23 C ATOM 275 CG GLU A 17 -2.198 -5.609 3.807 1.00 15.11 C ATOM 276 CD GLU A 17 -0.997 -6.051 2.968 1.00 40.13 C ATOM 277 OE1 GLU A 17 -0.783 -5.444 1.887 1.00 55.14 O ATOM 278 OE2 GLU A 17 -0.297 -7.006 3.395 1.00 62.32 O ATOM 0 H GLU A 17 -2.869 -5.191 6.483 1.00 1.11 H new ATOM 0 HA GLU A 17 -2.949 -2.562 5.458 1.00 54.03 H new ATOM 0 HB2 GLU A 17 -1.912 -3.501 3.458 1.00 74.23 H new ATOM 0 HB3 GLU A 17 -1.118 -4.098 4.902 1.00 74.23 H new ATOM 0 HG2 GLU A 17 -2.316 -6.283 4.655 1.00 15.11 H new ATOM 0 HG3 GLU A 17 -3.106 -5.686 3.210 1.00 15.11 H new ATOM 285 N ALA A 18 -5.299 -4.656 4.530 1.00 43.12 N ATOM 286 CA ALA A 18 -6.616 -4.742 3.947 1.00 12.21 C ATOM 287 C ALA A 18 -7.551 -3.679 4.494 1.00 1.44 C ATOM 288 O ALA A 18 -8.190 -2.959 3.736 1.00 20.21 O ATOM 289 CB ALA A 18 -7.215 -6.131 4.206 1.00 22.12 C ATOM 0 H ALA A 18 -5.036 -5.487 5.060 1.00 43.12 H new ATOM 0 HA ALA A 18 -6.509 -4.575 2.875 1.00 12.21 H new ATOM 0 HB1 ALA A 18 -8.209 -6.187 3.762 1.00 22.12 H new ATOM 0 HB2 ALA A 18 -6.575 -6.892 3.760 1.00 22.12 H new ATOM 0 HB3 ALA A 18 -7.287 -6.302 5.280 1.00 22.12 H new ATOM 295 N CYS A 19 -7.569 -3.485 5.826 1.00 31.32 N ATOM 296 CA CYS A 19 -8.364 -2.481 6.515 1.00 15.43 C ATOM 297 C CYS A 19 -7.864 -1.058 6.336 1.00 41.01 C ATOM 298 O CYS A 19 -8.447 -0.122 6.871 1.00 21.34 O ATOM 299 CB CYS A 19 -8.414 -2.792 8.022 1.00 11.41 C ATOM 300 SG CYS A 19 -9.329 -4.329 8.326 1.00 13.02 S ATOM 0 H CYS A 19 -7.007 -4.049 6.464 1.00 31.32 H new ATOM 0 HA CYS A 19 -9.353 -2.533 6.061 1.00 15.43 H new ATOM 0 HB2 CYS A 19 -7.401 -2.882 8.414 1.00 11.41 H new ATOM 0 HB3 CYS A 19 -8.890 -1.968 8.553 1.00 11.41 H new ATOM 305 N LYS A 20 -6.762 -0.831 5.602 1.00 12.30 N ATOM 306 CA LYS A 20 -6.426 0.506 5.160 1.00 1.15 C ATOM 307 C LYS A 20 -7.062 0.772 3.788 1.00 63.23 C ATOM 308 O LYS A 20 -7.730 1.781 3.570 1.00 64.55 O ATOM 309 CB LYS A 20 -4.880 0.623 5.172 1.00 71.23 C ATOM 310 CG LYS A 20 -4.289 2.028 4.960 1.00 41.25 C ATOM 311 CD LYS A 20 -4.160 2.507 3.509 1.00 13.12 C ATOM 312 CE LYS A 20 -2.945 1.936 2.780 1.00 41.33 C ATOM 313 NZ LYS A 20 -2.916 2.433 1.390 1.00 45.21 N ATOM 0 H LYS A 20 -6.105 -1.555 5.312 1.00 12.30 H new ATOM 0 HA LYS A 20 -6.826 1.275 5.821 1.00 1.15 H new ATOM 0 HB2 LYS A 20 -4.518 0.243 6.127 1.00 71.23 H new ATOM 0 HB3 LYS A 20 -4.484 -0.033 4.397 1.00 71.23 H new ATOM 0 HG2 LYS A 20 -4.908 2.743 5.501 1.00 41.25 H new ATOM 0 HG3 LYS A 20 -3.300 2.054 5.417 1.00 41.25 H new ATOM 0 HD2 LYS A 20 -5.063 2.232 2.963 1.00 13.12 H new ATOM 0 HD3 LYS A 20 -4.101 3.595 3.499 1.00 13.12 H new ATOM 0 HE2 LYS A 20 -2.030 2.224 3.298 1.00 41.33 H new ATOM 0 HE3 LYS A 20 -2.985 0.847 2.786 1.00 41.33 H new ATOM 0 HZ1 LYS A 20 -2.087 2.041 0.899 1.00 45.21 H new ATOM 0 HZ2 LYS A 20 -3.783 2.137 0.897 1.00 45.21 H new ATOM 0 HZ3 LYS A 20 -2.858 3.471 1.394 1.00 45.21 H new ATOM 327 N GLN A 21 -6.910 -0.161 2.818 1.00 24.11 N ATOM 328 CA GLN A 21 -7.376 0.033 1.448 1.00 62.24 C ATOM 329 C GLN A 21 -8.863 -0.203 1.248 1.00 44.41 C ATOM 330 O GLN A 21 -9.520 0.521 0.504 1.00 52.55 O ATOM 331 CB GLN A 21 -6.591 -0.863 0.468 1.00 31.21 C ATOM 332 CG GLN A 21 -6.872 -2.360 0.675 1.00 72.11 C ATOM 333 CD GLN A 21 -5.837 -3.264 0.034 1.00 34.11 C ATOM 334 OE1 GLN A 21 -5.921 -3.688 -1.119 1.00 40.12 O ATOM 335 NE2 GLN A 21 -4.852 -3.639 0.887 1.00 72.20 N ATOM 0 H GLN A 21 -6.460 -1.063 2.975 1.00 24.11 H new ATOM 0 HA GLN A 21 -7.193 1.087 1.240 1.00 62.24 H new ATOM 0 HB2 GLN A 21 -6.848 -0.588 -0.555 1.00 31.21 H new ATOM 0 HB3 GLN A 21 -5.524 -0.678 0.589 1.00 31.21 H new ATOM 0 HG2 GLN A 21 -6.914 -2.569 1.744 1.00 72.11 H new ATOM 0 HG3 GLN A 21 -7.854 -2.597 0.265 1.00 72.11 H new ATOM 0 HE21 GLN A 21 -4.825 -3.260 1.833 1.00 72.20 H new ATOM 0 HE22 GLN A 21 -4.138 -4.301 0.582 1.00 72.20 H new ATOM 344 N GLU A 22 -9.431 -1.207 1.962 1.00 42.34 N ATOM 345 CA GLU A 22 -10.825 -1.652 1.932 1.00 41.34 C ATOM 346 C GLU A 22 -11.738 -0.530 2.313 1.00 53.00 C ATOM 347 O GLU A 22 -12.832 -0.356 1.785 1.00 24.10 O ATOM 348 CB GLU A 22 -11.061 -2.846 2.873 1.00 70.40 C ATOM 349 CG GLU A 22 -12.477 -3.460 2.772 1.00 62.41 C ATOM 350 CD GLU A 22 -12.785 -4.096 1.412 1.00 71.02 C ATOM 351 OE1 GLU A 22 -13.811 -3.711 0.796 1.00 72.32 O ATOM 352 OE2 GLU A 22 -12.003 -4.992 0.998 1.00 2.32 O ATOM 0 H GLU A 22 -8.877 -1.759 2.617 1.00 42.34 H new ATOM 0 HA GLU A 22 -11.042 -1.972 0.913 1.00 41.34 H new ATOM 0 HB2 GLU A 22 -10.325 -3.619 2.653 1.00 70.40 H new ATOM 0 HB3 GLU A 22 -10.888 -2.525 3.900 1.00 70.40 H new ATOM 0 HG2 GLU A 22 -12.590 -4.216 3.549 1.00 62.41 H new ATOM 0 HG3 GLU A 22 -13.214 -2.683 2.973 1.00 62.41 H new ATOM 359 N LEU A 23 -11.261 0.258 3.281 1.00 2.24 N ATOM 360 CA LEU A 23 -12.030 1.306 3.888 1.00 25.13 C ATOM 361 C LEU A 23 -11.835 2.591 3.098 1.00 51.31 C ATOM 362 O LEU A 23 -12.536 3.574 3.327 1.00 63.21 O ATOM 363 CB LEU A 23 -11.546 1.545 5.322 1.00 73.15 C ATOM 364 CG LEU A 23 -11.512 0.296 6.218 1.00 53.40 C ATOM 365 CD1 LEU A 23 -11.449 0.685 7.697 1.00 72.13 C ATOM 366 CD2 LEU A 23 -12.501 -0.839 5.959 1.00 61.13 C ATOM 0 H LEU A 23 -10.317 0.171 3.657 1.00 2.24 H new ATOM 0 HA LEU A 23 -13.081 1.016 3.895 1.00 25.13 H new ATOM 0 HB2 LEU A 23 -10.544 1.973 5.284 1.00 73.15 H new ATOM 0 HB3 LEU A 23 -12.192 2.289 5.787 1.00 73.15 H new ATOM 0 HG LEU A 23 -10.584 -0.181 5.902 1.00 53.40 H new ATOM 0 HD11 LEU A 23 -11.426 -0.216 8.310 1.00 72.13 H new ATOM 0 HD12 LEU A 23 -10.549 1.272 7.881 1.00 72.13 H new ATOM 0 HD13 LEU A 23 -12.327 1.277 7.955 1.00 72.13 H new ATOM 0 HD21 LEU A 23 -12.336 -1.637 6.682 1.00 61.13 H new ATOM 0 HD22 LEU A 23 -13.520 -0.464 6.059 1.00 61.13 H new ATOM 0 HD23 LEU A 23 -12.354 -1.227 4.951 1.00 61.13 H new ATOM 378 N ASN A 24 -10.860 2.585 2.148 1.00 0.40 N ATOM 379 CA ASN A 24 -10.420 3.714 1.344 1.00 2.12 C ATOM 380 C ASN A 24 -9.921 4.893 2.179 1.00 25.42 C ATOM 381 O ASN A 24 -10.271 6.050 1.956 1.00 12.23 O ATOM 382 CB ASN A 24 -11.559 4.115 0.359 1.00 52.32 C ATOM 383 CG ASN A 24 -11.123 5.011 -0.802 1.00 2.23 C ATOM 384 OD1 ASN A 24 -11.714 6.059 -1.071 1.00 4.54 O ATOM 385 ND2 ASN A 24 -10.080 4.563 -1.551 1.00 3.41 N ATOM 0 H ASN A 24 -10.343 1.734 1.925 1.00 0.40 H new ATOM 0 HA ASN A 24 -9.548 3.403 0.768 1.00 2.12 H new ATOM 0 HB2 ASN A 24 -12.003 3.207 -0.049 1.00 52.32 H new ATOM 0 HB3 ASN A 24 -12.341 4.627 0.920 1.00 52.32 H new ATOM 0 HD21 ASN A 24 -9.767 5.098 -2.361 1.00 3.41 H new ATOM 0 HD22 ASN A 24 -9.611 3.692 -1.303 1.00 3.41 H new ATOM 392 N VAL A 25 -9.062 4.597 3.174 1.00 51.21 N ATOM 393 CA VAL A 25 -8.554 5.562 4.135 1.00 33.15 C ATOM 394 C VAL A 25 -7.046 5.672 3.996 1.00 64.32 C ATOM 395 O VAL A 25 -6.418 4.771 3.439 1.00 33.22 O ATOM 396 CB VAL A 25 -8.938 5.219 5.576 1.00 62.41 C ATOM 397 CG1 VAL A 25 -10.469 5.288 5.731 1.00 63.13 C ATOM 398 CG2 VAL A 25 -8.412 3.827 5.977 1.00 44.32 C ATOM 0 H VAL A 25 -8.701 3.655 3.325 1.00 51.21 H new ATOM 0 HA VAL A 25 -9.017 6.523 3.912 1.00 33.15 H new ATOM 0 HB VAL A 25 -8.477 5.947 6.243 1.00 62.41 H new ATOM 0 HG11 VAL A 25 -10.742 5.044 6.758 1.00 63.13 H new ATOM 0 HG12 VAL A 25 -10.814 6.294 5.494 1.00 63.13 H new ATOM 0 HG13 VAL A 25 -10.936 4.575 5.052 1.00 63.13 H new ATOM 0 HG21 VAL A 25 -8.700 3.612 7.006 1.00 44.32 H new ATOM 0 HG22 VAL A 25 -8.838 3.073 5.315 1.00 44.32 H new ATOM 0 HG23 VAL A 25 -7.325 3.811 5.894 1.00 44.32 H new ATOM 408 N PRO A 26 -6.396 6.750 4.433 1.00 12.32 N ATOM 409 CA PRO A 26 -4.945 6.852 4.414 1.00 62.01 C ATOM 410 C PRO A 26 -4.272 6.006 5.481 1.00 32.50 C ATOM 411 O PRO A 26 -4.893 5.550 6.440 1.00 64.25 O ATOM 412 CB PRO A 26 -4.684 8.351 4.647 1.00 63.42 C ATOM 413 CG PRO A 26 -5.879 8.808 5.480 1.00 13.12 C ATOM 414 CD PRO A 26 -7.025 7.996 4.882 1.00 54.33 C ATOM 0 HA PRO A 26 -4.530 6.478 3.478 1.00 62.01 H new ATOM 0 HB2 PRO A 26 -3.744 8.515 5.174 1.00 63.42 H new ATOM 0 HB3 PRO A 26 -4.622 8.897 3.705 1.00 63.42 H new ATOM 0 HG2 PRO A 26 -5.740 8.595 6.540 1.00 13.12 H new ATOM 0 HG3 PRO A 26 -6.051 9.881 5.390 1.00 13.12 H new ATOM 0 HD2 PRO A 26 -7.803 7.804 5.621 1.00 54.33 H new ATOM 0 HD3 PRO A 26 -7.496 8.524 4.053 1.00 54.33 H new ATOM 422 N ASP A 27 -2.942 5.838 5.324 1.00 51.22 N ATOM 423 CA ASP A 27 -2.027 5.101 6.177 1.00 74.23 C ATOM 424 C ASP A 27 -1.979 5.748 7.553 1.00 51.40 C ATOM 425 O ASP A 27 -1.798 5.094 8.577 1.00 20.32 O ATOM 426 CB ASP A 27 -0.628 5.061 5.499 1.00 65.30 C ATOM 427 CG ASP A 27 0.365 4.152 6.224 1.00 54.34 C ATOM 428 OD1 ASP A 27 0.084 2.930 6.311 1.00 63.22 O ATOM 429 OD2 ASP A 27 1.413 4.680 6.675 1.00 73.50 O ATOM 0 H ASP A 27 -2.456 6.253 4.529 1.00 51.22 H new ATOM 0 HA ASP A 27 -2.368 4.074 6.312 1.00 74.23 H new ATOM 0 HB2 ASP A 27 -0.739 4.719 4.470 1.00 65.30 H new ATOM 0 HB3 ASP A 27 -0.222 6.072 5.457 1.00 65.30 H new ATOM 434 N ALA A 28 -2.197 7.078 7.569 1.00 71.23 N ATOM 435 CA ALA A 28 -2.269 7.933 8.721 1.00 14.23 C ATOM 436 C ALA A 28 -3.341 7.519 9.707 1.00 21.21 C ATOM 437 O ALA A 28 -3.179 7.674 10.914 1.00 13.10 O ATOM 438 CB ALA A 28 -2.546 9.375 8.269 1.00 35.43 C ATOM 0 H ALA A 28 -2.334 7.599 6.703 1.00 71.23 H new ATOM 0 HA ALA A 28 -1.309 7.853 9.231 1.00 14.23 H new ATOM 0 HB1 ALA A 28 -2.601 10.026 9.142 1.00 35.43 H new ATOM 0 HB2 ALA A 28 -1.742 9.712 7.615 1.00 35.43 H new ATOM 0 HB3 ALA A 28 -3.492 9.412 7.729 1.00 35.43 H new ATOM 444 N VAL A 29 -4.487 6.986 9.239 1.00 51.12 N ATOM 445 CA VAL A 29 -5.554 6.730 10.183 1.00 2.51 C ATOM 446 C VAL A 29 -5.568 5.285 10.640 1.00 10.31 C ATOM 447 O VAL A 29 -6.037 4.993 11.737 1.00 63.32 O ATOM 448 CB VAL A 29 -6.906 7.127 9.662 1.00 43.31 C ATOM 449 CG1 VAL A 29 -6.895 8.584 9.146 1.00 40.24 C ATOM 450 CG2 VAL A 29 -7.543 6.097 8.731 1.00 24.33 C ATOM 0 H VAL A 29 -4.678 6.741 8.267 1.00 51.12 H new ATOM 0 HA VAL A 29 -5.341 7.363 11.045 1.00 2.51 H new ATOM 0 HB VAL A 29 -7.598 7.121 10.504 1.00 43.31 H new ATOM 0 HG11 VAL A 29 -7.886 8.846 8.775 1.00 40.24 H new ATOM 0 HG12 VAL A 29 -6.623 9.256 9.960 1.00 40.24 H new ATOM 0 HG13 VAL A 29 -6.168 8.679 8.339 1.00 40.24 H new ATOM 0 HG21 VAL A 29 -8.516 6.459 8.399 1.00 24.33 H new ATOM 0 HG22 VAL A 29 -6.899 5.942 7.865 1.00 24.33 H new ATOM 0 HG23 VAL A 29 -7.669 5.154 9.263 1.00 24.33 H new ATOM 460 N MET A 30 -5.005 4.330 9.860 1.00 72.43 N ATOM 461 CA MET A 30 -4.768 2.994 10.396 1.00 53.21 C ATOM 462 C MET A 30 -3.715 2.997 11.496 1.00 43.33 C ATOM 463 O MET A 30 -3.811 2.249 12.465 1.00 64.04 O ATOM 464 CB MET A 30 -4.393 1.911 9.341 1.00 51.41 C ATOM 465 CG MET A 30 -3.071 2.112 8.573 1.00 51.24 C ATOM 466 SD MET A 30 -2.349 0.588 7.882 1.00 41.51 S ATOM 467 CE MET A 30 -1.773 -0.138 9.446 1.00 22.53 C ATOM 0 H MET A 30 -4.719 4.465 8.890 1.00 72.43 H new ATOM 0 HA MET A 30 -5.739 2.713 10.803 1.00 53.21 H new ATOM 0 HB2 MET A 30 -4.348 0.946 9.847 1.00 51.41 H new ATOM 0 HB3 MET A 30 -5.202 1.852 8.613 1.00 51.41 H new ATOM 0 HG2 MET A 30 -3.243 2.817 7.760 1.00 51.24 H new ATOM 0 HG3 MET A 30 -2.344 2.570 9.243 1.00 51.24 H new ATOM 0 HE1 MET A 30 -0.741 -0.471 9.334 1.00 22.53 H new ATOM 0 HE2 MET A 30 -1.829 0.610 10.237 1.00 22.53 H new ATOM 0 HE3 MET A 30 -2.403 -0.989 9.706 1.00 22.53 H new ATOM 477 N GLN A 31 -2.698 3.890 11.406 1.00 33.41 N ATOM 478 CA GLN A 31 -1.681 4.039 12.426 1.00 23.12 C ATOM 479 C GLN A 31 -2.170 4.794 13.642 1.00 50.44 C ATOM 480 O GLN A 31 -1.614 4.660 14.732 1.00 4.34 O ATOM 481 CB GLN A 31 -0.376 4.634 11.838 1.00 12.42 C ATOM 482 CG GLN A 31 -0.333 6.090 11.338 1.00 33.21 C ATOM 483 CD GLN A 31 -0.062 7.103 12.444 1.00 32.54 C ATOM 484 OE1 GLN A 31 1.022 7.162 13.029 1.00 63.10 O ATOM 485 NE2 GLN A 31 -1.104 7.920 12.728 1.00 35.21 N ATOM 0 H GLN A 31 -2.578 4.520 10.613 1.00 33.41 H new ATOM 0 HA GLN A 31 -1.445 3.037 12.785 1.00 23.12 H new ATOM 0 HB2 GLN A 31 0.395 4.534 12.602 1.00 12.42 H new ATOM 0 HB3 GLN A 31 -0.081 3.999 11.003 1.00 12.42 H new ATOM 0 HG2 GLN A 31 0.440 6.181 10.575 1.00 33.21 H new ATOM 0 HG3 GLN A 31 -1.283 6.330 10.860 1.00 33.21 H new ATOM 0 HE21 GLN A 31 -1.979 7.828 12.213 1.00 35.21 H new ATOM 0 HE22 GLN A 31 -1.013 8.627 13.457 1.00 35.21 H new ATOM 494 N ASP A 32 -3.292 5.541 13.515 1.00 72.41 N ATOM 495 CA ASP A 32 -3.984 6.123 14.658 1.00 30.53 C ATOM 496 C ASP A 32 -4.461 5.071 15.668 1.00 65.23 C ATOM 497 O ASP A 32 -4.379 5.281 16.875 1.00 34.11 O ATOM 498 CB ASP A 32 -5.201 6.977 14.225 1.00 1.45 C ATOM 499 CG ASP A 32 -4.871 8.339 13.626 1.00 23.35 C ATOM 500 OD1 ASP A 32 -3.729 8.831 13.806 1.00 34.22 O ATOM 501 OD2 ASP A 32 -5.813 8.924 13.024 1.00 52.40 O ATOM 0 H ASP A 32 -3.730 5.748 12.617 1.00 72.41 H new ATOM 0 HA ASP A 32 -3.243 6.759 15.142 1.00 30.53 H new ATOM 0 HB2 ASP A 32 -5.779 6.410 13.495 1.00 1.45 H new ATOM 0 HB3 ASP A 32 -5.843 7.128 15.093 1.00 1.45 H new ATOM 506 N PHE A 33 -4.924 3.897 15.192 1.00 21.30 N ATOM 507 CA PHE A 33 -5.200 2.722 16.014 1.00 1.20 C ATOM 508 C PHE A 33 -3.994 2.192 16.779 1.00 72.35 C ATOM 509 O PHE A 33 -4.105 1.814 17.938 1.00 31.42 O ATOM 510 CB PHE A 33 -5.893 1.647 15.128 1.00 21.43 C ATOM 511 CG PHE A 33 -5.970 0.238 15.666 1.00 5.21 C ATOM 512 CD1 PHE A 33 -5.317 -0.787 14.957 1.00 3.44 C ATOM 513 CD2 PHE A 33 -6.619 -0.081 16.866 1.00 44.33 C ATOM 514 CE1 PHE A 33 -5.358 -2.112 15.406 1.00 65.53 C ATOM 515 CE2 PHE A 33 -6.700 -1.414 17.295 1.00 33.41 C ATOM 516 CZ PHE A 33 -6.067 -2.429 16.570 1.00 71.24 C ATOM 0 H PHE A 33 -5.118 3.746 14.202 1.00 21.30 H new ATOM 0 HA PHE A 33 -5.879 3.019 16.813 1.00 1.20 H new ATOM 0 HB2 PHE A 33 -6.909 1.984 14.924 1.00 21.43 H new ATOM 0 HB3 PHE A 33 -5.371 1.613 14.172 1.00 21.43 H new ATOM 0 HD1 PHE A 33 -4.776 -0.548 14.053 1.00 3.44 H new ATOM 0 HD2 PHE A 33 -7.059 0.703 17.464 1.00 44.33 H new ATOM 0 HE1 PHE A 33 -4.844 -2.887 14.856 1.00 65.53 H new ATOM 0 HE2 PHE A 33 -7.254 -1.658 18.190 1.00 33.41 H new ATOM 0 HZ PHE A 33 -6.125 -3.453 16.907 1.00 71.24 H new ATOM 526 N PHE A 34 -2.803 2.133 16.172 1.00 14.34 N ATOM 527 CA PHE A 34 -1.591 1.735 16.884 1.00 1.05 C ATOM 528 C PHE A 34 -1.148 2.741 17.954 1.00 34.33 C ATOM 529 O PHE A 34 -0.771 2.360 19.061 1.00 1.21 O ATOM 530 CB PHE A 34 -0.442 1.426 15.888 1.00 3.12 C ATOM 531 CG PHE A 34 -0.805 0.144 15.177 1.00 62.44 C ATOM 532 CD1 PHE A 34 -0.544 -1.087 15.805 1.00 22.51 C ATOM 533 CD2 PHE A 34 -1.509 0.148 13.960 1.00 53.03 C ATOM 534 CE1 PHE A 34 -1.002 -2.287 15.248 1.00 65.03 C ATOM 535 CE2 PHE A 34 -1.970 -1.050 13.401 1.00 13.11 C ATOM 536 CZ PHE A 34 -1.726 -2.265 14.051 1.00 71.33 C ATOM 0 H PHE A 34 -2.656 2.357 15.188 1.00 14.34 H new ATOM 0 HA PHE A 34 -1.841 0.822 17.425 1.00 1.05 H new ATOM 0 HB2 PHE A 34 -0.321 2.241 15.175 1.00 3.12 H new ATOM 0 HB3 PHE A 34 0.506 1.319 16.415 1.00 3.12 H new ATOM 0 HD1 PHE A 34 0.016 -1.107 16.728 1.00 22.51 H new ATOM 0 HD2 PHE A 34 -1.696 1.083 13.452 1.00 53.03 H new ATOM 0 HE1 PHE A 34 -0.797 -3.226 15.740 1.00 65.03 H new ATOM 0 HE2 PHE A 34 -2.514 -1.036 12.468 1.00 13.11 H new ATOM 0 HZ PHE A 34 -2.097 -3.187 13.628 1.00 71.33 H new ATOM 546 N ASN A 35 -1.246 4.058 17.660 1.00 5.32 N ATOM 547 CA ASN A 35 -1.038 5.175 18.574 1.00 60.31 C ATOM 548 C ASN A 35 -2.047 5.249 19.714 1.00 73.12 C ATOM 549 O ASN A 35 -1.749 5.795 20.770 1.00 24.23 O ATOM 550 CB ASN A 35 -1.035 6.502 17.781 1.00 30.04 C ATOM 551 CG ASN A 35 0.296 6.671 17.044 1.00 25.13 C ATOM 552 OD1 ASN A 35 1.295 7.066 17.650 1.00 52.32 O ATOM 553 ND2 ASN A 35 0.320 6.372 15.725 1.00 34.05 N ATOM 0 H ASN A 35 -1.487 4.374 16.721 1.00 5.32 H new ATOM 0 HA ASN A 35 -0.070 5.005 19.046 1.00 60.31 H new ATOM 0 HB2 ASN A 35 -1.859 6.510 17.067 1.00 30.04 H new ATOM 0 HB3 ASN A 35 -1.193 7.340 18.459 1.00 30.04 H new ATOM 0 HD21 ASN A 35 1.186 6.470 15.195 1.00 34.05 H new ATOM 0 HD22 ASN A 35 -0.528 6.048 15.260 1.00 34.05 H new ATOM 560 N PHE A 36 -3.248 4.657 19.555 1.00 71.44 N ATOM 561 CA PHE A 36 -4.330 4.589 20.529 1.00 12.33 C ATOM 562 C PHE A 36 -3.877 3.984 21.848 1.00 3.41 C ATOM 563 O PHE A 36 -4.277 4.423 22.923 1.00 63.05 O ATOM 564 CB PHE A 36 -5.490 3.751 19.915 1.00 63.14 C ATOM 565 CG PHE A 36 -6.720 3.632 20.761 1.00 44.11 C ATOM 566 CD1 PHE A 36 -6.817 2.624 21.733 1.00 75.02 C ATOM 567 CD2 PHE A 36 -7.807 4.488 20.554 1.00 44.01 C ATOM 568 CE1 PHE A 36 -7.968 2.496 22.512 1.00 73.34 C ATOM 569 CE2 PHE A 36 -8.955 4.379 21.344 1.00 12.13 C ATOM 570 CZ PHE A 36 -9.032 3.376 22.312 1.00 71.11 C ATOM 0 H PHE A 36 -3.493 4.187 18.684 1.00 71.44 H new ATOM 0 HA PHE A 36 -4.666 5.602 20.751 1.00 12.33 H new ATOM 0 HB2 PHE A 36 -5.769 4.195 18.960 1.00 63.14 H new ATOM 0 HB3 PHE A 36 -5.118 2.749 19.703 1.00 63.14 H new ATOM 0 HD1 PHE A 36 -5.993 1.941 21.879 1.00 75.02 H new ATOM 0 HD2 PHE A 36 -7.759 5.238 19.779 1.00 44.01 H new ATOM 0 HE1 PHE A 36 -8.034 1.723 23.263 1.00 73.34 H new ATOM 0 HE2 PHE A 36 -9.777 5.066 21.206 1.00 12.13 H new ATOM 0 HZ PHE A 36 -9.925 3.280 22.912 1.00 71.11 H new ATOM 580 N TRP A 37 -3.039 2.932 21.780 1.00 33.24 N ATOM 581 CA TRP A 37 -2.644 2.142 22.926 1.00 42.32 C ATOM 582 C TRP A 37 -1.500 2.811 23.672 1.00 23.11 C ATOM 583 O TRP A 37 -1.112 2.377 24.755 1.00 4.30 O ATOM 584 CB TRP A 37 -2.202 0.729 22.475 1.00 52.23 C ATOM 585 CG TRP A 37 -3.269 -0.008 21.682 1.00 31.22 C ATOM 586 CD1 TRP A 37 -3.224 -0.305 20.348 1.00 10.45 C ATOM 587 CD2 TRP A 37 -4.598 -0.348 22.127 1.00 22.15 C ATOM 588 NE1 TRP A 37 -4.422 -0.838 19.932 1.00 50.42 N ATOM 589 CE2 TRP A 37 -5.287 -0.851 21.002 1.00 30.32 C ATOM 590 CE3 TRP A 37 -5.234 -0.233 23.365 1.00 51.12 C ATOM 591 CZ2 TRP A 37 -6.619 -1.223 21.094 1.00 45.00 C ATOM 592 CZ3 TRP A 37 -6.591 -0.587 23.442 1.00 10.15 C ATOM 593 CH2 TRP A 37 -7.282 -1.052 22.313 1.00 53.22 C ATOM 0 H TRP A 37 -2.619 2.615 20.906 1.00 33.24 H new ATOM 0 HA TRP A 37 -3.503 2.060 23.592 1.00 42.32 H new ATOM 0 HB2 TRP A 37 -1.301 0.814 21.868 1.00 52.23 H new ATOM 0 HB3 TRP A 37 -1.940 0.140 23.354 1.00 52.23 H new ATOM 0 HD1 TRP A 37 -2.368 -0.144 19.710 1.00 10.45 H new ATOM 0 HE1 TRP A 37 -4.633 -1.168 18.990 1.00 50.42 H new ATOM 0 HE3 TRP A 37 -4.699 0.117 24.236 1.00 51.12 H new ATOM 0 HZ2 TRP A 37 -7.135 -1.637 20.240 1.00 45.00 H new ATOM 0 HZ3 TRP A 37 -7.111 -0.500 24.385 1.00 10.15 H new ATOM 0 HH2 TRP A 37 -8.335 -1.280 22.386 1.00 53.22 H new ATOM 604 N LYS A 38 -0.918 3.884 23.084 1.00 31.04 N ATOM 605 CA LYS A 38 0.182 4.634 23.658 1.00 14.05 C ATOM 606 C LYS A 38 -0.230 5.380 24.923 1.00 61.34 C ATOM 607 O LYS A 38 -1.291 6.001 24.990 1.00 12.51 O ATOM 608 CB LYS A 38 0.740 5.693 22.684 1.00 64.40 C ATOM 609 CG LYS A 38 2.129 6.219 23.091 1.00 65.55 C ATOM 610 CD LYS A 38 2.334 7.678 22.690 1.00 52.30 C ATOM 611 CE LYS A 38 3.793 8.097 22.523 1.00 54.54 C ATOM 612 NZ LYS A 38 4.494 8.044 23.819 1.00 2.21 N ATOM 0 H LYS A 38 -1.220 4.245 22.179 1.00 31.04 H new ATOM 0 HA LYS A 38 0.941 3.885 23.883 1.00 14.05 H new ATOM 0 HB2 LYS A 38 0.800 5.262 21.685 1.00 64.40 H new ATOM 0 HB3 LYS A 38 0.043 6.530 22.629 1.00 64.40 H new ATOM 0 HG2 LYS A 38 2.251 6.120 24.170 1.00 65.55 H new ATOM 0 HG3 LYS A 38 2.899 5.604 22.625 1.00 65.55 H new ATOM 0 HD2 LYS A 38 1.809 7.860 21.752 1.00 52.30 H new ATOM 0 HD3 LYS A 38 1.871 8.316 23.443 1.00 52.30 H new ATOM 0 HE2 LYS A 38 4.287 7.440 21.808 1.00 54.54 H new ATOM 0 HE3 LYS A 38 3.844 9.107 22.116 1.00 54.54 H new ATOM 0 HZ1 LYS A 38 5.485 8.332 23.690 1.00 2.21 H new ATOM 0 HZ2 LYS A 38 4.031 8.689 24.491 1.00 2.21 H new ATOM 0 HZ3 LYS A 38 4.461 7.074 24.192 1.00 2.21 H new ATOM 626 N GLU A 39 0.624 5.382 25.969 1.00 20.20 N ATOM 627 CA GLU A 39 0.338 6.155 27.157 1.00 2.05 C ATOM 628 C GLU A 39 0.577 7.634 26.914 1.00 0.34 C ATOM 629 O GLU A 39 1.554 8.042 26.288 1.00 5.33 O ATOM 630 CB GLU A 39 1.150 5.659 28.386 1.00 65.22 C ATOM 631 CG GLU A 39 2.691 5.795 28.274 1.00 3.01 C ATOM 632 CD GLU A 39 3.410 5.253 29.512 1.00 32.35 C ATOM 633 OE1 GLU A 39 3.188 5.813 30.616 1.00 15.25 O ATOM 634 OE2 GLU A 39 4.193 4.280 29.352 1.00 42.14 O ATOM 0 H GLU A 39 1.500 4.860 25.999 1.00 20.20 H new ATOM 0 HA GLU A 39 -0.718 6.010 27.387 1.00 2.05 H new ATOM 0 HB2 GLU A 39 0.818 6.212 29.265 1.00 65.22 H new ATOM 0 HB3 GLU A 39 0.908 4.610 28.559 1.00 65.22 H new ATOM 0 HG2 GLU A 39 3.038 5.259 27.390 1.00 3.01 H new ATOM 0 HG3 GLU A 39 2.952 6.844 28.134 1.00 3.01 H new ATOM 641 N GLY A 40 -0.366 8.476 27.389 1.00 74.23 N ATOM 642 CA GLY A 40 -0.371 9.900 27.104 1.00 1.01 C ATOM 643 C GLY A 40 -1.203 10.259 25.900 1.00 54.53 C ATOM 644 O GLY A 40 -1.503 11.434 25.703 1.00 61.54 O ATOM 0 H GLY A 40 -1.140 8.173 27.980 1.00 74.23 H new ATOM 0 HA2 GLY A 40 -0.750 10.437 27.973 1.00 1.01 H new ATOM 0 HA3 GLY A 40 0.653 10.236 26.944 1.00 1.01 H new ATOM 648 N TYR A 41 -1.622 9.278 25.065 1.00 61.32 N ATOM 649 CA TYR A 41 -2.480 9.541 23.938 1.00 72.33 C ATOM 650 C TYR A 41 -3.941 9.250 24.126 1.00 63.23 C ATOM 651 O TYR A 41 -4.388 8.294 24.754 1.00 31.24 O ATOM 652 CB TYR A 41 -1.992 8.877 22.628 1.00 43.22 C ATOM 653 CG TYR A 41 -0.844 9.594 21.938 1.00 1.43 C ATOM 654 CD1 TYR A 41 -0.346 8.980 20.782 1.00 14.22 C ATOM 655 CD2 TYR A 41 -0.355 10.881 22.266 1.00 0.31 C ATOM 656 CE1 TYR A 41 0.650 9.580 20.002 1.00 74.35 C ATOM 657 CE2 TYR A 41 0.649 11.485 21.492 1.00 71.12 C ATOM 658 CZ TYR A 41 1.157 10.831 20.366 1.00 64.03 C ATOM 659 OH TYR A 41 2.157 11.447 19.584 1.00 55.31 O ATOM 0 H TYR A 41 -1.364 8.297 25.172 1.00 61.32 H new ATOM 0 HA TYR A 41 -2.396 10.625 23.856 1.00 72.33 H new ATOM 0 HB2 TYR A 41 -1.683 7.855 22.849 1.00 43.22 H new ATOM 0 HB3 TYR A 41 -2.831 8.814 21.935 1.00 43.22 H new ATOM 0 HD1 TYR A 41 -0.740 8.019 20.485 1.00 14.22 H new ATOM 0 HD2 TYR A 41 -0.758 11.404 23.121 1.00 0.31 H new ATOM 0 HE1 TYR A 41 1.025 9.078 19.122 1.00 74.35 H new ATOM 0 HE2 TYR A 41 1.030 12.457 21.767 1.00 71.12 H new ATOM 0 HH TYR A 41 2.394 12.312 19.979 1.00 55.31 H new ATOM 669 N GLN A 42 -4.711 10.155 23.498 1.00 30.51 N ATOM 670 CA GLN A 42 -6.096 10.055 23.184 1.00 23.31 C ATOM 671 C GLN A 42 -6.182 10.236 21.693 1.00 64.44 C ATOM 672 O GLN A 42 -5.552 11.097 21.081 1.00 21.22 O ATOM 673 CB GLN A 42 -6.953 11.121 23.912 1.00 44.14 C ATOM 674 CG GLN A 42 -6.474 12.578 23.715 1.00 53.44 C ATOM 675 CD GLN A 42 -7.235 13.407 22.673 1.00 50.31 C ATOM 676 OE1 GLN A 42 -8.399 13.763 22.867 1.00 72.12 O ATOM 677 NE2 GLN A 42 -6.538 13.764 21.563 1.00 23.04 N ATOM 0 H GLN A 42 -4.320 11.042 23.181 1.00 30.51 H new ATOM 0 HA GLN A 42 -6.492 9.094 23.513 1.00 23.31 H new ATOM 0 HB2 GLN A 42 -7.982 11.041 23.563 1.00 44.14 H new ATOM 0 HB3 GLN A 42 -6.960 10.896 24.978 1.00 44.14 H new ATOM 0 HG2 GLN A 42 -6.537 13.092 24.674 1.00 53.44 H new ATOM 0 HG3 GLN A 42 -5.421 12.557 23.434 1.00 53.44 H new ATOM 0 HE21 GLN A 42 -5.576 13.448 21.441 1.00 23.04 H new ATOM 0 HE22 GLN A 42 -6.977 14.348 20.851 1.00 23.04 H new ATOM 686 N ILE A 43 -6.960 9.344 21.099 1.00 33.12 N ATOM 687 CA ILE A 43 -7.381 9.303 19.725 1.00 72.14 C ATOM 688 C ILE A 43 -8.873 9.528 19.702 1.00 24.55 C ATOM 689 O ILE A 43 -9.633 8.830 20.369 1.00 71.32 O ATOM 690 CB ILE A 43 -7.067 7.960 19.141 1.00 64.33 C ATOM 691 CG1 ILE A 43 -5.558 7.671 19.222 1.00 35.21 C ATOM 692 CG2 ILE A 43 -7.615 7.791 17.706 1.00 11.53 C ATOM 693 CD1 ILE A 43 -4.662 8.557 18.355 1.00 22.50 C ATOM 0 H ILE A 43 -7.344 8.560 21.626 1.00 33.12 H new ATOM 0 HA ILE A 43 -6.865 10.065 19.141 1.00 72.14 H new ATOM 0 HB ILE A 43 -7.585 7.215 19.745 1.00 64.33 H new ATOM 0 HG12 ILE A 43 -5.243 7.774 20.260 1.00 35.21 H new ATOM 0 HG13 ILE A 43 -5.391 6.631 18.940 1.00 35.21 H new ATOM 0 HG21 ILE A 43 -7.358 6.800 17.333 1.00 11.53 H new ATOM 0 HG22 ILE A 43 -8.699 7.906 17.715 1.00 11.53 H new ATOM 0 HG23 ILE A 43 -7.175 8.548 17.057 1.00 11.53 H new ATOM 0 HD11 ILE A 43 -3.621 8.265 18.491 1.00 22.50 H new ATOM 0 HD12 ILE A 43 -4.938 8.439 17.307 1.00 22.50 H new ATOM 0 HD13 ILE A 43 -4.788 9.599 18.648 1.00 22.50 H new ATOM 705 N THR A 44 -9.319 10.534 18.932 1.00 14.42 N ATOM 706 CA THR A 44 -10.714 10.956 18.883 1.00 24.11 C ATOM 707 C THR A 44 -11.225 10.971 17.456 1.00 73.41 C ATOM 708 O THR A 44 -12.297 11.496 17.167 1.00 13.32 O ATOM 709 CB THR A 44 -10.924 12.304 19.571 1.00 22.40 C ATOM 710 OG1 THR A 44 -10.124 13.335 18.998 1.00 35.43 O ATOM 711 CG2 THR A 44 -10.564 12.173 21.067 1.00 40.33 C ATOM 0 H THR A 44 -8.709 11.078 18.322 1.00 14.42 H new ATOM 0 HA THR A 44 -11.300 10.224 19.439 1.00 24.11 H new ATOM 0 HB THR A 44 -11.971 12.578 19.440 1.00 22.40 H new ATOM 0 HG1 THR A 44 -10.292 14.179 19.468 1.00 35.43 H new ATOM 0 HG21 THR A 44 -10.712 13.133 21.562 1.00 40.33 H new ATOM 0 HG22 THR A 44 -11.204 11.422 21.531 1.00 40.33 H new ATOM 0 HG23 THR A 44 -9.521 11.871 21.165 1.00 40.33 H new ATOM 719 N ASN A 45 -10.453 10.381 16.515 1.00 20.11 N ATOM 720 CA ASN A 45 -10.710 10.421 15.096 1.00 3.42 C ATOM 721 C ASN A 45 -11.618 9.291 14.672 1.00 45.13 C ATOM 722 O ASN A 45 -11.368 8.127 14.966 1.00 71.12 O ATOM 723 CB ASN A 45 -9.372 10.381 14.316 1.00 50.41 C ATOM 724 CG ASN A 45 -9.581 10.675 12.831 1.00 31.51 C ATOM 725 OD1 ASN A 45 -10.473 11.433 12.446 1.00 33.22 O ATOM 726 ND2 ASN A 45 -8.754 10.029 11.977 1.00 61.43 N ATOM 0 H ASN A 45 -9.613 9.853 16.752 1.00 20.11 H new ATOM 0 HA ASN A 45 -11.223 11.354 14.864 1.00 3.42 H new ATOM 0 HB2 ASN A 45 -8.681 11.110 14.739 1.00 50.41 H new ATOM 0 HB3 ASN A 45 -8.911 9.400 14.433 1.00 50.41 H new ATOM 0 HD21 ASN A 45 -8.856 10.161 10.971 1.00 61.43 H new ATOM 0 HD22 ASN A 45 -8.029 9.410 12.339 1.00 61.43 H new ATOM 733 N ARG A 46 -12.669 9.622 13.895 1.00 73.31 N ATOM 734 CA ARG A 46 -13.732 8.738 13.460 1.00 3.23 C ATOM 735 C ARG A 46 -13.244 7.559 12.643 1.00 41.23 C ATOM 736 O ARG A 46 -13.755 6.448 12.756 1.00 24.25 O ATOM 737 CB ARG A 46 -14.759 9.568 12.660 1.00 64.40 C ATOM 738 CG ARG A 46 -14.202 10.185 11.363 1.00 31.43 C ATOM 739 CD ARG A 46 -15.176 11.213 10.784 1.00 32.51 C ATOM 740 NE ARG A 46 -14.577 11.814 9.550 1.00 10.21 N ATOM 741 CZ ARG A 46 -15.237 12.765 8.822 1.00 23.31 C ATOM 742 NH1 ARG A 46 -16.483 13.170 9.198 1.00 2.12 N ATOM 743 NH2 ARG A 46 -14.637 13.304 7.723 1.00 1.14 N ATOM 0 H ARG A 46 -12.791 10.571 13.542 1.00 73.31 H new ATOM 0 HA ARG A 46 -14.190 8.304 14.349 1.00 3.23 H new ATOM 0 HB2 ARG A 46 -15.608 8.931 12.410 1.00 64.40 H new ATOM 0 HB3 ARG A 46 -15.137 10.368 13.296 1.00 64.40 H new ATOM 0 HG2 ARG A 46 -13.243 10.661 11.565 1.00 31.43 H new ATOM 0 HG3 ARG A 46 -14.020 9.398 10.631 1.00 31.43 H new ATOM 0 HD2 ARG A 46 -16.128 10.737 10.547 1.00 32.51 H new ATOM 0 HD3 ARG A 46 -15.383 11.991 11.519 1.00 32.51 H new ATOM 0 HE ARG A 46 -13.654 11.506 9.245 1.00 10.21 H new ATOM 0 HH11 ARG A 46 -16.924 12.764 10.023 1.00 2.12 H new ATOM 0 HH12 ARG A 46 -16.974 13.879 8.654 1.00 2.12 H new ATOM 0 HH21 ARG A 46 -13.703 12.997 7.450 1.00 1.14 H new ATOM 0 HH22 ARG A 46 -15.122 14.014 7.174 1.00 1.14 H new ATOM 757 N GLU A 47 -12.165 7.756 11.860 1.00 70.31 N ATOM 758 CA GLU A 47 -11.453 6.708 11.185 1.00 2.51 C ATOM 759 C GLU A 47 -10.814 5.686 12.060 1.00 43.34 C ATOM 760 O GLU A 47 -10.702 4.535 11.645 1.00 52.54 O ATOM 761 CB GLU A 47 -10.383 7.269 10.246 1.00 70.23 C ATOM 762 CG GLU A 47 -10.944 7.744 8.893 1.00 44.13 C ATOM 763 CD GLU A 47 -10.116 8.799 8.168 1.00 2.04 C ATOM 764 OE1 GLU A 47 -9.853 9.863 8.790 1.00 41.51 O ATOM 765 OE2 GLU A 47 -9.752 8.557 6.989 1.00 44.42 O ATOM 0 H GLU A 47 -11.772 8.682 11.690 1.00 70.31 H new ATOM 0 HA GLU A 47 -12.241 6.197 10.632 1.00 2.51 H new ATOM 0 HB2 GLU A 47 -9.882 8.104 10.736 1.00 70.23 H new ATOM 0 HB3 GLU A 47 -9.628 6.503 10.069 1.00 70.23 H new ATOM 0 HG2 GLU A 47 -11.048 6.878 8.239 1.00 44.13 H new ATOM 0 HG3 GLU A 47 -11.945 8.143 9.055 1.00 44.13 H new ATOM 772 N ALA A 48 -10.384 6.057 13.283 1.00 41.22 N ATOM 773 CA ALA A 48 -9.790 5.070 14.177 1.00 20.13 C ATOM 774 C ALA A 48 -10.759 3.933 14.476 1.00 11.34 C ATOM 775 O ALA A 48 -10.406 2.766 14.395 1.00 75.21 O ATOM 776 CB ALA A 48 -9.334 5.690 15.519 1.00 42.33 C ATOM 0 H ALA A 48 -10.438 7.005 13.657 1.00 41.22 H new ATOM 0 HA ALA A 48 -8.917 4.684 13.651 1.00 20.13 H new ATOM 0 HB1 ALA A 48 -8.899 4.914 16.149 1.00 42.33 H new ATOM 0 HB2 ALA A 48 -8.589 6.463 15.328 1.00 42.33 H new ATOM 0 HB3 ALA A 48 -10.192 6.130 16.027 1.00 42.33 H new ATOM 782 N GLY A 49 -12.048 4.240 14.721 1.00 61.05 N ATOM 783 CA GLY A 49 -13.084 3.234 14.923 1.00 35.01 C ATOM 784 C GLY A 49 -13.332 2.396 13.719 1.00 74.31 C ATOM 785 O GLY A 49 -13.548 1.194 13.841 1.00 34.33 O ATOM 0 H GLY A 49 -12.391 5.199 14.783 1.00 61.05 H new ATOM 0 HA2 GLY A 49 -12.798 2.589 15.754 1.00 35.01 H new ATOM 0 HA3 GLY A 49 -14.011 3.730 15.210 1.00 35.01 H new ATOM 789 N CYS A 50 -13.301 3.026 12.521 1.00 15.51 N ATOM 790 CA CYS A 50 -13.537 2.374 11.251 1.00 22.15 C ATOM 791 C CYS A 50 -12.483 1.323 10.971 1.00 64.44 C ATOM 792 O CYS A 50 -12.806 0.235 10.502 1.00 14.42 O ATOM 793 CB CYS A 50 -13.571 3.381 10.071 1.00 31.11 C ATOM 794 SG CYS A 50 -14.975 4.553 10.085 1.00 12.22 S ATOM 0 H CYS A 50 -13.105 4.023 12.430 1.00 15.51 H new ATOM 0 HA CYS A 50 -14.515 1.900 11.330 1.00 22.15 H new ATOM 0 HB2 CYS A 50 -12.642 3.952 10.075 1.00 31.11 H new ATOM 0 HB3 CYS A 50 -13.596 2.820 9.137 1.00 31.11 H new ATOM 799 N VAL A 51 -11.190 1.601 11.276 1.00 64.45 N ATOM 800 CA VAL A 51 -10.165 0.567 11.193 1.00 5.03 C ATOM 801 C VAL A 51 -10.350 -0.493 12.241 1.00 4.35 C ATOM 802 O VAL A 51 -10.293 -1.675 11.933 1.00 73.13 O ATOM 803 CB VAL A 51 -8.722 1.112 11.146 1.00 21.52 C ATOM 804 CG1 VAL A 51 -8.361 2.109 12.260 1.00 21.53 C ATOM 805 CG2 VAL A 51 -7.701 -0.037 11.315 1.00 21.34 C ATOM 0 H VAL A 51 -10.852 2.516 11.574 1.00 64.45 H new ATOM 0 HA VAL A 51 -10.311 0.090 10.224 1.00 5.03 H new ATOM 0 HB VAL A 51 -8.677 1.613 10.179 1.00 21.52 H new ATOM 0 HG11 VAL A 51 -7.327 2.432 12.138 1.00 21.53 H new ATOM 0 HG12 VAL A 51 -9.021 2.975 12.202 1.00 21.53 H new ATOM 0 HG13 VAL A 51 -8.479 1.628 13.231 1.00 21.53 H new ATOM 0 HG21 VAL A 51 -6.689 0.367 11.279 1.00 21.34 H new ATOM 0 HG22 VAL A 51 -7.862 -0.528 12.275 1.00 21.34 H new ATOM 0 HG23 VAL A 51 -7.831 -0.761 10.510 1.00 21.34 H new ATOM 815 N ILE A 52 -10.674 -0.122 13.491 1.00 11.43 N ATOM 816 CA ILE A 52 -10.746 -1.051 14.615 1.00 74.44 C ATOM 817 C ILE A 52 -11.768 -2.145 14.387 1.00 31.13 C ATOM 818 O ILE A 52 -11.494 -3.330 14.577 1.00 4.05 O ATOM 819 CB ILE A 52 -11.055 -0.290 15.904 1.00 3.11 C ATOM 820 CG1 ILE A 52 -9.846 0.560 16.335 1.00 15.32 C ATOM 821 CG2 ILE A 52 -11.503 -1.260 17.019 1.00 61.35 C ATOM 822 CD1 ILE A 52 -10.080 1.751 17.288 1.00 31.14 C ATOM 0 H ILE A 52 -10.894 0.841 13.745 1.00 11.43 H new ATOM 0 HA ILE A 52 -9.773 -1.535 14.706 1.00 74.44 H new ATOM 0 HB ILE A 52 -11.884 0.392 15.715 1.00 3.11 H new ATOM 0 HG12 ILE A 52 -9.126 -0.106 16.809 1.00 15.32 H new ATOM 0 HG13 ILE A 52 -9.375 0.947 15.431 1.00 15.32 H new ATOM 0 HG21 ILE A 52 -11.718 -0.696 17.927 1.00 61.35 H new ATOM 0 HG22 ILE A 52 -12.400 -1.791 16.701 1.00 61.35 H new ATOM 0 HG23 ILE A 52 -10.708 -1.979 17.217 1.00 61.35 H new ATOM 0 HD11 ILE A 52 -9.130 2.245 17.493 1.00 31.14 H new ATOM 0 HD12 ILE A 52 -10.764 2.460 16.823 1.00 31.14 H new ATOM 0 HD13 ILE A 52 -10.511 1.390 18.222 1.00 31.14 H new ATOM 834 N LEU A 53 -12.969 -1.764 13.920 1.00 50.23 N ATOM 835 CA LEU A 53 -14.050 -2.680 13.649 1.00 22.21 C ATOM 836 C LEU A 53 -13.797 -3.613 12.487 1.00 22.20 C ATOM 837 O LEU A 53 -14.282 -4.742 12.449 1.00 72.22 O ATOM 838 CB LEU A 53 -15.369 -1.875 13.528 1.00 23.51 C ATOM 839 CG LEU A 53 -15.553 -0.875 12.361 1.00 64.31 C ATOM 840 CD1 LEU A 53 -15.651 -1.516 10.970 1.00 41.41 C ATOM 841 CD2 LEU A 53 -16.813 -0.032 12.626 1.00 23.44 C ATOM 0 H LEU A 53 -13.203 -0.791 13.722 1.00 50.23 H new ATOM 0 HA LEU A 53 -14.134 -3.367 14.491 1.00 22.21 H new ATOM 0 HB2 LEU A 53 -16.186 -2.595 13.472 1.00 23.51 H new ATOM 0 HB3 LEU A 53 -15.497 -1.319 14.457 1.00 23.51 H new ATOM 0 HG LEU A 53 -14.650 -0.265 12.338 1.00 64.31 H new ATOM 0 HD11 LEU A 53 -15.778 -0.737 10.218 1.00 41.41 H new ATOM 0 HD12 LEU A 53 -14.739 -2.075 10.762 1.00 41.41 H new ATOM 0 HD13 LEU A 53 -16.506 -2.192 10.940 1.00 41.41 H new ATOM 0 HD21 LEU A 53 -16.954 0.677 11.811 1.00 23.44 H new ATOM 0 HD22 LEU A 53 -17.682 -0.687 12.692 1.00 23.44 H new ATOM 0 HD23 LEU A 53 -16.697 0.512 13.564 1.00 23.44 H new ATOM 853 N CYS A 54 -12.979 -3.146 11.526 1.00 54.52 N ATOM 854 CA CYS A 54 -12.517 -3.893 10.376 1.00 4.41 C ATOM 855 C CYS A 54 -11.675 -5.090 10.774 1.00 14.42 C ATOM 856 O CYS A 54 -11.892 -6.172 10.228 1.00 44.52 O ATOM 857 CB CYS A 54 -11.776 -2.977 9.366 1.00 1.22 C ATOM 858 SG CYS A 54 -11.225 -3.811 7.844 1.00 40.40 S ATOM 0 H CYS A 54 -12.614 -2.194 11.545 1.00 54.52 H new ATOM 0 HA CYS A 54 -13.400 -4.286 9.873 1.00 4.41 H new ATOM 0 HB2 CYS A 54 -12.434 -2.152 9.094 1.00 1.22 H new ATOM 0 HB3 CYS A 54 -10.907 -2.542 9.860 1.00 1.22 H new ATOM 863 N LEU A 55 -10.732 -4.992 11.760 1.00 41.23 N ATOM 864 CA LEU A 55 -9.993 -6.143 12.191 1.00 43.34 C ATOM 865 C LEU A 55 -10.848 -7.234 12.752 1.00 3.35 C ATOM 866 O LEU A 55 -10.599 -8.397 12.478 1.00 3.53 O ATOM 867 CB LEU A 55 -8.990 -5.669 13.210 1.00 1.54 C ATOM 868 CG LEU A 55 -7.819 -4.893 12.575 1.00 13.14 C ATOM 869 CD1 LEU A 55 -6.903 -5.808 11.748 1.00 70.10 C ATOM 870 CD2 LEU A 55 -8.060 -3.568 11.857 1.00 71.42 C ATOM 0 H LEU A 55 -10.494 -4.126 12.243 1.00 41.23 H new ATOM 0 HA LEU A 55 -9.507 -6.590 11.324 1.00 43.34 H new ATOM 0 HB2 LEU A 55 -9.491 -5.031 13.938 1.00 1.54 H new ATOM 0 HB3 LEU A 55 -8.598 -6.528 13.755 1.00 1.54 H new ATOM 0 HG LEU A 55 -7.330 -4.542 13.484 1.00 13.14 H new ATOM 0 HD11 LEU A 55 -6.092 -5.219 11.319 1.00 70.10 H new ATOM 0 HD12 LEU A 55 -6.488 -6.584 12.391 1.00 70.10 H new ATOM 0 HD13 LEU A 55 -7.479 -6.271 10.946 1.00 70.10 H new ATOM 0 HD21 LEU A 55 -7.113 -3.181 11.481 1.00 71.42 H new ATOM 0 HD22 LEU A 55 -8.745 -3.725 11.024 1.00 71.42 H new ATOM 0 HD23 LEU A 55 -8.495 -2.851 12.553 1.00 71.42 H new ATOM 882 N ALA A 56 -11.908 -6.879 13.488 1.00 12.20 N ATOM 883 CA ALA A 56 -12.781 -7.801 14.183 1.00 75.20 C ATOM 884 C ALA A 56 -13.401 -8.869 13.307 1.00 14.35 C ATOM 885 O ALA A 56 -13.511 -10.033 13.686 1.00 44.15 O ATOM 886 CB ALA A 56 -13.900 -7.013 14.882 1.00 33.32 C ATOM 0 H ALA A 56 -12.181 -5.904 13.613 1.00 12.20 H new ATOM 0 HA ALA A 56 -12.148 -8.327 14.898 1.00 75.20 H new ATOM 0 HB1 ALA A 56 -14.559 -7.705 15.406 1.00 33.32 H new ATOM 0 HB2 ALA A 56 -13.462 -6.316 15.597 1.00 33.32 H new ATOM 0 HB3 ALA A 56 -14.473 -6.458 14.139 1.00 33.32 H new ATOM 892 N LYS A 57 -13.793 -8.489 12.081 1.00 51.12 N ATOM 893 CA LYS A 57 -14.246 -9.435 11.078 1.00 10.24 C ATOM 894 C LYS A 57 -13.118 -10.298 10.523 1.00 21.44 C ATOM 895 O LYS A 57 -13.277 -11.485 10.242 1.00 44.43 O ATOM 896 CB LYS A 57 -14.951 -8.696 9.915 1.00 32.40 C ATOM 897 CG LYS A 57 -16.272 -8.028 10.336 1.00 13.42 C ATOM 898 CD LYS A 57 -16.964 -7.300 9.172 1.00 44.33 C ATOM 899 CE LYS A 57 -18.314 -6.703 9.567 1.00 32.42 C ATOM 900 NZ LYS A 57 -18.942 -6.070 8.392 1.00 45.01 N ATOM 0 H LYS A 57 -13.801 -7.518 11.769 1.00 51.12 H new ATOM 0 HA LYS A 57 -14.950 -10.100 11.579 1.00 10.24 H new ATOM 0 HB2 LYS A 57 -14.279 -7.937 9.514 1.00 32.40 H new ATOM 0 HB3 LYS A 57 -15.149 -9.404 9.110 1.00 32.40 H new ATOM 0 HG2 LYS A 57 -16.946 -8.785 10.738 1.00 13.42 H new ATOM 0 HG3 LYS A 57 -16.076 -7.317 11.139 1.00 13.42 H new ATOM 0 HD2 LYS A 57 -16.313 -6.505 8.808 1.00 44.33 H new ATOM 0 HD3 LYS A 57 -17.108 -7.998 8.347 1.00 44.33 H new ATOM 0 HE2 LYS A 57 -18.965 -7.482 9.963 1.00 32.42 H new ATOM 0 HE3 LYS A 57 -18.179 -5.967 10.360 1.00 32.42 H new ATOM 0 HZ1 LYS A 57 -19.860 -5.665 8.665 1.00 45.01 H new ATOM 0 HZ2 LYS A 57 -18.324 -5.315 8.033 1.00 45.01 H new ATOM 0 HZ3 LYS A 57 -19.085 -6.783 7.649 1.00 45.01 H new ATOM 914 N LYS A 58 -11.927 -9.700 10.343 1.00 23.33 N ATOM 915 CA LYS A 58 -10.804 -10.252 9.622 1.00 24.54 C ATOM 916 C LYS A 58 -9.770 -10.897 10.543 1.00 32.01 C ATOM 917 O LYS A 58 -8.573 -10.915 10.277 1.00 71.22 O ATOM 918 CB LYS A 58 -10.170 -9.139 8.759 1.00 74.04 C ATOM 919 CG LYS A 58 -11.080 -8.639 7.626 1.00 32.23 C ATOM 920 CD LYS A 58 -10.333 -7.690 6.673 1.00 22.04 C ATOM 921 CE LYS A 58 -11.170 -7.166 5.503 1.00 54.32 C ATOM 922 NZ LYS A 58 -11.564 -8.270 4.606 1.00 15.32 N ATOM 0 H LYS A 58 -11.729 -8.774 10.721 1.00 23.33 H new ATOM 0 HA LYS A 58 -11.169 -11.055 8.981 1.00 24.54 H new ATOM 0 HB2 LYS A 58 -9.910 -8.298 9.401 1.00 74.04 H new ATOM 0 HB3 LYS A 58 -9.240 -9.511 8.328 1.00 74.04 H new ATOM 0 HG2 LYS A 58 -11.464 -9.491 7.065 1.00 32.23 H new ATOM 0 HG3 LYS A 58 -11.941 -8.124 8.051 1.00 32.23 H new ATOM 0 HD2 LYS A 58 -9.962 -6.840 7.246 1.00 22.04 H new ATOM 0 HD3 LYS A 58 -9.462 -8.210 6.274 1.00 22.04 H new ATOM 0 HE2 LYS A 58 -12.060 -6.664 5.882 1.00 54.32 H new ATOM 0 HE3 LYS A 58 -10.599 -6.424 4.945 1.00 54.32 H new ATOM 0 HZ1 LYS A 58 -12.058 -7.884 3.776 1.00 15.32 H new ATOM 0 HZ2 LYS A 58 -10.715 -8.785 4.296 1.00 15.32 H new ATOM 0 HZ3 LYS A 58 -12.197 -8.920 5.113 1.00 15.32 H new ATOM 936 N LEU A 59 -10.227 -11.500 11.657 1.00 62.54 N ATOM 937 CA LEU A 59 -9.386 -12.182 12.644 1.00 2.55 C ATOM 938 C LEU A 59 -8.991 -13.537 12.156 1.00 3.34 C ATOM 939 O LEU A 59 -7.939 -14.075 12.451 1.00 14.01 O ATOM 940 CB LEU A 59 -10.045 -12.440 14.007 1.00 0.51 C ATOM 941 CG LEU A 59 -10.456 -11.157 14.727 1.00 20.00 C ATOM 942 CD1 LEU A 59 -11.150 -11.506 16.052 1.00 20.31 C ATOM 943 CD2 LEU A 59 -9.448 -10.012 14.784 1.00 62.40 C ATOM 0 H LEU A 59 -11.218 -11.524 11.896 1.00 62.54 H new ATOM 0 HA LEU A 59 -8.551 -11.493 12.772 1.00 2.55 H new ATOM 0 HB2 LEU A 59 -10.925 -13.068 13.865 1.00 0.51 H new ATOM 0 HB3 LEU A 59 -9.354 -12.998 14.638 1.00 0.51 H new ATOM 0 HG LEU A 59 -11.183 -10.674 14.074 1.00 20.00 H new ATOM 0 HD11 LEU A 59 -11.442 -10.588 16.563 1.00 20.31 H new ATOM 0 HD12 LEU A 59 -12.037 -12.107 15.851 1.00 20.31 H new ATOM 0 HD13 LEU A 59 -10.465 -12.071 16.684 1.00 20.31 H new ATOM 0 HD21 LEU A 59 -9.882 -9.172 15.326 1.00 62.40 H new ATOM 0 HD22 LEU A 59 -8.546 -10.347 15.296 1.00 62.40 H new ATOM 0 HD23 LEU A 59 -9.195 -9.699 13.771 1.00 62.40 H new ATOM 955 N GLU A 60 -9.866 -14.113 11.341 1.00 22.13 N ATOM 956 CA GLU A 60 -9.666 -15.385 10.666 1.00 54.33 C ATOM 957 C GLU A 60 -8.507 -15.358 9.676 1.00 24.02 C ATOM 958 O GLU A 60 -8.023 -16.391 9.224 1.00 30.10 O ATOM 959 CB GLU A 60 -10.979 -15.856 9.989 1.00 63.11 C ATOM 960 CG GLU A 60 -11.525 -14.983 8.831 1.00 33.52 C ATOM 961 CD GLU A 60 -12.851 -15.531 8.293 1.00 41.42 C ATOM 962 OE1 GLU A 60 -13.808 -15.655 9.107 1.00 1.55 O ATOM 963 OE2 GLU A 60 -12.915 -15.822 7.072 1.00 11.33 O ATOM 0 H GLU A 60 -10.768 -13.689 11.125 1.00 22.13 H new ATOM 0 HA GLU A 60 -9.390 -16.110 11.432 1.00 54.33 H new ATOM 0 HB2 GLU A 60 -10.821 -16.865 9.607 1.00 63.11 H new ATOM 0 HB3 GLU A 60 -11.751 -15.923 10.756 1.00 63.11 H new ATOM 0 HG2 GLU A 60 -11.668 -13.960 9.181 1.00 33.52 H new ATOM 0 HG3 GLU A 60 -10.792 -14.945 8.025 1.00 33.52 H new ATOM 970 N LEU A 61 -8.045 -14.135 9.335 1.00 44.14 N ATOM 971 CA LEU A 61 -6.864 -13.857 8.537 1.00 30.41 C ATOM 972 C LEU A 61 -5.582 -14.069 9.347 1.00 3.04 C ATOM 973 O LEU A 61 -4.515 -14.327 8.793 1.00 63.54 O ATOM 974 CB LEU A 61 -6.795 -12.408 8.001 1.00 65.20 C ATOM 975 CG LEU A 61 -7.945 -11.883 7.112 1.00 73.03 C ATOM 976 CD1 LEU A 61 -7.431 -11.021 5.953 1.00 44.24 C ATOM 977 CD2 LEU A 61 -9.157 -12.780 6.801 1.00 40.31 C ATOM 0 H LEU A 61 -8.520 -13.282 9.631 1.00 44.14 H new ATOM 0 HA LEU A 61 -6.942 -14.551 7.700 1.00 30.41 H new ATOM 0 HB2 LEU A 61 -6.713 -11.743 8.861 1.00 65.20 H new ATOM 0 HB3 LEU A 61 -5.869 -12.311 7.433 1.00 65.20 H new ATOM 0 HG LEU A 61 -8.475 -11.230 7.806 1.00 73.03 H new ATOM 0 HD11 LEU A 61 -8.274 -10.674 5.356 1.00 44.24 H new ATOM 0 HD12 LEU A 61 -6.890 -10.162 6.350 1.00 44.24 H new ATOM 0 HD13 LEU A 61 -6.762 -11.613 5.328 1.00 44.24 H new ATOM 0 HD21 LEU A 61 -9.857 -12.238 6.164 1.00 40.31 H new ATOM 0 HD22 LEU A 61 -8.821 -13.680 6.287 1.00 40.31 H new ATOM 0 HD23 LEU A 61 -9.653 -13.057 7.731 1.00 40.31 H new ATOM 989 N LEU A 62 -5.674 -13.902 10.686 1.00 21.25 N ATOM 990 CA LEU A 62 -4.601 -13.946 11.667 1.00 24.11 C ATOM 991 C LEU A 62 -4.038 -15.346 11.810 1.00 1.44 C ATOM 992 O LEU A 62 -4.630 -16.352 11.424 1.00 65.43 O ATOM 993 CB LEU A 62 -5.061 -13.475 13.081 1.00 75.03 C ATOM 994 CG LEU A 62 -5.603 -12.030 13.098 1.00 41.22 C ATOM 995 CD1 LEU A 62 -6.319 -11.649 14.410 1.00 64.24 C ATOM 996 CD2 LEU A 62 -4.517 -10.990 12.781 1.00 30.44 C ATOM 0 H LEU A 62 -6.575 -13.720 11.128 1.00 21.25 H new ATOM 0 HA LEU A 62 -3.839 -13.264 11.291 1.00 24.11 H new ATOM 0 HB2 LEU A 62 -5.835 -14.150 13.447 1.00 75.03 H new ATOM 0 HB3 LEU A 62 -4.221 -13.549 13.772 1.00 75.03 H new ATOM 0 HG LEU A 62 -6.348 -12.014 12.303 1.00 41.22 H new ATOM 0 HD11 LEU A 62 -6.672 -10.620 14.346 1.00 64.24 H new ATOM 0 HD12 LEU A 62 -7.168 -12.314 14.568 1.00 64.24 H new ATOM 0 HD13 LEU A 62 -5.624 -11.743 15.244 1.00 64.24 H new ATOM 0 HD21 LEU A 62 -4.952 -9.991 12.806 1.00 30.44 H new ATOM 0 HD22 LEU A 62 -3.721 -11.058 13.522 1.00 30.44 H new ATOM 0 HD23 LEU A 62 -4.107 -11.183 11.789 1.00 30.44 H new ATOM 1008 N ASP A 63 -2.808 -15.430 12.349 1.00 34.01 N ATOM 1009 CA ASP A 63 -2.076 -16.673 12.448 1.00 71.05 C ATOM 1010 C ASP A 63 -2.721 -17.644 13.435 1.00 5.53 C ATOM 1011 O ASP A 63 -3.020 -17.290 14.571 1.00 24.03 O ATOM 1012 CB ASP A 63 -0.619 -16.391 12.885 1.00 11.51 C ATOM 1013 CG ASP A 63 0.113 -15.601 11.810 1.00 62.03 C ATOM 1014 OD1 ASP A 63 0.276 -16.142 10.687 1.00 72.34 O ATOM 1015 OD2 ASP A 63 0.513 -14.446 12.111 1.00 30.35 O ATOM 0 H ASP A 63 -2.306 -14.626 12.725 1.00 34.01 H new ATOM 0 HA ASP A 63 -2.091 -17.138 11.462 1.00 71.05 H new ATOM 0 HB2 ASP A 63 -0.615 -15.833 13.822 1.00 11.51 H new ATOM 0 HB3 ASP A 63 -0.100 -17.331 13.071 1.00 11.51 H new ATOM 1020 N GLN A 64 -2.888 -18.930 13.048 1.00 51.44 N ATOM 1021 CA GLN A 64 -3.517 -19.952 13.870 1.00 25.40 C ATOM 1022 C GLN A 64 -2.787 -20.224 15.180 1.00 24.14 C ATOM 1023 O GLN A 64 -3.391 -20.584 16.186 1.00 65.15 O ATOM 1024 CB GLN A 64 -3.733 -21.249 13.048 1.00 31.33 C ATOM 1025 CG GLN A 64 -4.427 -22.397 13.822 1.00 30.30 C ATOM 1026 CD GLN A 64 -5.796 -21.999 14.397 1.00 53.41 C ATOM 1027 OE1 GLN A 64 -6.750 -21.672 13.684 1.00 3.03 O ATOM 1028 NE2 GLN A 64 -5.890 -22.014 15.753 1.00 31.02 N ATOM 0 H GLN A 64 -2.580 -19.277 12.140 1.00 51.44 H new ATOM 0 HA GLN A 64 -4.489 -19.559 14.167 1.00 25.40 H new ATOM 0 HB2 GLN A 64 -4.330 -21.010 12.168 1.00 31.33 H new ATOM 0 HB3 GLN A 64 -2.766 -21.602 12.691 1.00 31.33 H new ATOM 0 HG2 GLN A 64 -4.554 -23.251 13.156 1.00 30.30 H new ATOM 0 HG3 GLN A 64 -3.779 -22.722 14.636 1.00 30.30 H new ATOM 0 HE21 GLN A 64 -5.086 -22.288 16.317 1.00 31.02 H new ATOM 0 HE22 GLN A 64 -6.765 -21.751 16.207 1.00 31.02 H new ATOM 1037 N ASP A 65 -1.464 -19.977 15.224 1.00 34.14 N ATOM 1038 CA ASP A 65 -0.629 -20.111 16.406 1.00 15.14 C ATOM 1039 C ASP A 65 -1.112 -19.270 17.593 1.00 22.04 C ATOM 1040 O ASP A 65 -0.982 -19.701 18.736 1.00 22.25 O ATOM 1041 CB ASP A 65 0.830 -19.702 16.083 1.00 43.44 C ATOM 1042 CG ASP A 65 1.459 -20.700 15.122 1.00 2.12 C ATOM 1043 OD1 ASP A 65 1.695 -20.296 13.954 1.00 64.21 O ATOM 1044 OD2 ASP A 65 1.697 -21.861 15.540 1.00 73.23 O ATOM 0 H ASP A 65 -0.941 -19.669 14.404 1.00 34.14 H new ATOM 0 HA ASP A 65 -0.689 -21.161 16.693 1.00 15.14 H new ATOM 0 HB2 ASP A 65 0.846 -18.704 15.644 1.00 43.44 H new ATOM 0 HB3 ASP A 65 1.414 -19.655 17.002 1.00 43.44 H new ATOM 1049 N MET A 66 -1.684 -18.057 17.369 1.00 40.52 N ATOM 1050 CA MET A 66 -2.203 -17.254 18.470 1.00 25.12 C ATOM 1051 C MET A 66 -3.611 -17.669 18.872 1.00 3.12 C ATOM 1052 O MET A 66 -4.098 -17.249 19.921 1.00 12.42 O ATOM 1053 CB MET A 66 -2.180 -15.725 18.171 1.00 63.13 C ATOM 1054 CG MET A 66 -3.209 -15.168 17.168 1.00 3.30 C ATOM 1055 SD MET A 66 -2.976 -13.414 16.736 1.00 23.03 S ATOM 1056 CE MET A 66 -3.525 -12.683 18.305 1.00 34.54 C ATOM 0 H MET A 66 -1.789 -17.634 16.447 1.00 40.52 H new ATOM 0 HA MET A 66 -1.527 -17.447 19.303 1.00 25.12 H new ATOM 0 HB2 MET A 66 -2.315 -15.198 19.116 1.00 63.13 H new ATOM 0 HB3 MET A 66 -1.185 -15.471 17.804 1.00 63.13 H new ATOM 0 HG2 MET A 66 -3.165 -15.762 16.255 1.00 3.30 H new ATOM 0 HG3 MET A 66 -4.208 -15.296 17.584 1.00 3.30 H new ATOM 0 HE1 MET A 66 -3.610 -11.602 18.193 1.00 34.54 H new ATOM 0 HE2 MET A 66 -4.495 -13.097 18.579 1.00 34.54 H new ATOM 0 HE3 MET A 66 -2.800 -12.911 19.086 1.00 34.54 H new ATOM 1066 N ASN A 67 -4.271 -18.524 18.047 1.00 32.20 N ATOM 1067 CA ASN A 67 -5.617 -19.059 18.198 1.00 24.54 C ATOM 1068 C ASN A 67 -6.754 -18.046 18.213 1.00 14.11 C ATOM 1069 O ASN A 67 -7.809 -18.315 18.785 1.00 63.44 O ATOM 1070 CB ASN A 67 -5.722 -19.990 19.451 1.00 33.52 C ATOM 1071 CG ASN A 67 -4.894 -21.258 19.246 1.00 42.02 C ATOM 1072 OD1 ASN A 67 -5.355 -22.206 18.605 1.00 74.01 O ATOM 1073 ND2 ASN A 67 -3.643 -21.286 19.764 1.00 44.02 N ATOM 0 H ASN A 67 -3.826 -18.874 17.198 1.00 32.20 H new ATOM 0 HA ASN A 67 -5.761 -19.628 17.279 1.00 24.54 H new ATOM 0 HB2 ASN A 67 -5.372 -19.459 20.336 1.00 33.52 H new ATOM 0 HB3 ASN A 67 -6.764 -20.254 19.629 1.00 33.52 H new ATOM 0 HD21 ASN A 67 -3.053 -22.107 19.629 1.00 44.02 H new ATOM 0 HD22 ASN A 67 -3.291 -20.486 20.289 1.00 44.02 H new ATOM 1080 N LEU A 68 -6.619 -16.862 17.558 1.00 43.10 N ATOM 1081 CA LEU A 68 -7.716 -15.909 17.542 1.00 75.22 C ATOM 1082 C LEU A 68 -8.735 -16.269 16.484 1.00 73.54 C ATOM 1083 O LEU A 68 -8.424 -16.307 15.296 1.00 63.53 O ATOM 1084 CB LEU A 68 -7.254 -14.454 17.266 1.00 31.41 C ATOM 1085 CG LEU A 68 -8.149 -13.334 17.858 1.00 53.11 C ATOM 1086 CD1 LEU A 68 -7.894 -11.950 17.279 1.00 51.34 C ATOM 1087 CD2 LEU A 68 -9.582 -13.662 18.307 1.00 51.13 C ATOM 0 H LEU A 68 -5.782 -16.568 17.055 1.00 43.10 H new ATOM 0 HA LEU A 68 -8.152 -15.960 18.540 1.00 75.22 H new ATOM 0 HB2 LEU A 68 -6.245 -14.333 17.661 1.00 31.41 H new ATOM 0 HB3 LEU A 68 -7.193 -14.311 16.187 1.00 31.41 H new ATOM 0 HG LEU A 68 -7.745 -13.278 18.869 1.00 53.11 H new ATOM 0 HD11 LEU A 68 -8.563 -11.230 17.750 1.00 51.34 H new ATOM 0 HD12 LEU A 68 -6.860 -11.662 17.467 1.00 51.34 H new ATOM 0 HD13 LEU A 68 -8.076 -11.966 16.204 1.00 51.34 H new ATOM 0 HD21 LEU A 68 -10.057 -12.761 18.694 1.00 51.13 H new ATOM 0 HD22 LEU A 68 -10.153 -14.037 17.457 1.00 51.13 H new ATOM 0 HD23 LEU A 68 -9.554 -14.421 19.089 1.00 51.13 H new ATOM 1099 N HIS A 69 -10.001 -16.488 16.892 1.00 33.15 N ATOM 1100 CA HIS A 69 -11.085 -16.540 15.945 1.00 55.30 C ATOM 1101 C HIS A 69 -12.269 -15.840 16.539 1.00 50.43 C ATOM 1102 O HIS A 69 -12.436 -15.764 17.758 1.00 13.32 O ATOM 1103 CB HIS A 69 -11.470 -17.989 15.538 1.00 72.13 C ATOM 1104 CG HIS A 69 -10.404 -18.710 14.750 1.00 71.41 C ATOM 1105 ND1 HIS A 69 -10.299 -18.552 13.395 1.00 3.54 N ATOM 1106 CD2 HIS A 69 -9.427 -19.572 15.120 1.00 11.51 C ATOM 1107 CE1 HIS A 69 -9.306 -19.301 12.953 1.00 13.45 C ATOM 1108 NE2 HIS A 69 -8.762 -19.934 13.976 1.00 10.20 N ATOM 0 H HIS A 69 -10.276 -16.628 17.864 1.00 33.15 H new ATOM 0 HA HIS A 69 -10.756 -16.045 15.032 1.00 55.30 H new ATOM 0 HB2 HIS A 69 -11.691 -18.562 16.439 1.00 72.13 H new ATOM 0 HB3 HIS A 69 -12.385 -17.958 14.947 1.00 72.13 H new ATOM 0 HD2 HIS A 69 -9.213 -19.910 16.123 1.00 11.51 H new ATOM 0 HE1 HIS A 69 -8.990 -19.383 11.923 1.00 13.45 H new ATOM 0 HE2 HIS A 69 -7.978 -20.584 13.924 1.00 10.20 H new ATOM 1117 N HIS A 70 -13.118 -15.268 15.662 1.00 54.42 N ATOM 1118 CA HIS A 70 -14.279 -14.514 16.061 1.00 72.42 C ATOM 1119 C HIS A 70 -15.345 -15.358 16.736 1.00 20.11 C ATOM 1120 O HIS A 70 -15.774 -16.401 16.242 1.00 41.23 O ATOM 1121 CB HIS A 70 -14.849 -13.738 14.843 1.00 63.11 C ATOM 1122 CG HIS A 70 -14.999 -14.572 13.596 1.00 64.21 C ATOM 1123 ND1 HIS A 70 -15.618 -15.790 13.577 1.00 2.13 N ATOM 1124 CD2 HIS A 70 -14.504 -14.364 12.356 1.00 14.11 C ATOM 1125 CE1 HIS A 70 -15.502 -16.309 12.368 1.00 43.42 C ATOM 1126 NE2 HIS A 70 -14.828 -15.463 11.609 1.00 2.21 N ATOM 0 H HIS A 70 -12.998 -15.329 14.651 1.00 54.42 H new ATOM 0 HA HIS A 70 -13.955 -13.801 16.819 1.00 72.42 H new ATOM 0 HB2 HIS A 70 -15.822 -13.327 15.111 1.00 63.11 H new ATOM 0 HB3 HIS A 70 -14.195 -12.894 14.626 1.00 63.11 H new ATOM 0 HD2 HIS A 70 -13.957 -13.496 12.019 1.00 14.11 H new ATOM 0 HE1 HIS A 70 -15.893 -17.265 12.052 1.00 43.42 H new ATOM 0 HE2 HIS A 70 -14.589 -15.606 10.628 1.00 2.21 H new ATOM 1135 N GLY A 71 -15.788 -14.871 17.912 1.00 75.21 N ATOM 1136 CA GLY A 71 -16.762 -15.521 18.781 1.00 24.20 C ATOM 1137 C GLY A 71 -16.177 -16.409 19.856 1.00 4.10 C ATOM 1138 O GLY A 71 -16.900 -16.866 20.735 1.00 12.32 O ATOM 0 H GLY A 71 -15.459 -13.981 18.287 1.00 75.21 H new ATOM 0 HA2 GLY A 71 -17.369 -14.752 19.259 1.00 24.20 H new ATOM 0 HA3 GLY A 71 -17.433 -16.119 18.164 1.00 24.20 H new ATOM 1142 N LYS A 72 -14.853 -16.679 19.833 1.00 43.54 N ATOM 1143 CA LYS A 72 -14.206 -17.675 20.670 1.00 61.20 C ATOM 1144 C LYS A 72 -13.300 -17.008 21.690 1.00 3.53 C ATOM 1145 O LYS A 72 -12.276 -17.563 22.096 1.00 60.34 O ATOM 1146 CB LYS A 72 -13.378 -18.716 19.851 1.00 32.41 C ATOM 1147 CG LYS A 72 -14.190 -19.742 19.028 1.00 43.24 C ATOM 1148 CD LYS A 72 -14.827 -19.229 17.726 1.00 33.35 C ATOM 1149 CE LYS A 72 -15.621 -20.290 16.956 1.00 65.44 C ATOM 1150 NZ LYS A 72 -14.724 -21.337 16.428 1.00 20.41 N ATOM 0 H LYS A 72 -14.204 -16.193 19.214 1.00 43.54 H new ATOM 0 HA LYS A 72 -15.008 -18.214 21.174 1.00 61.20 H new ATOM 0 HB2 LYS A 72 -12.723 -18.173 19.170 1.00 32.41 H new ATOM 0 HB3 LYS A 72 -12.736 -19.263 20.542 1.00 32.41 H new ATOM 0 HG2 LYS A 72 -13.534 -20.577 18.781 1.00 43.24 H new ATOM 0 HG3 LYS A 72 -14.983 -20.137 19.663 1.00 43.24 H new ATOM 0 HD2 LYS A 72 -15.489 -18.396 17.962 1.00 33.35 H new ATOM 0 HD3 LYS A 72 -14.041 -18.839 17.079 1.00 33.35 H new ATOM 0 HE2 LYS A 72 -16.366 -20.740 17.612 1.00 65.44 H new ATOM 0 HE3 LYS A 72 -16.162 -19.820 16.135 1.00 65.44 H new ATOM 0 HZ1 LYS A 72 -15.264 -21.978 15.812 1.00 20.41 H new ATOM 0 HZ2 LYS A 72 -13.958 -20.895 15.881 1.00 20.41 H new ATOM 0 HZ3 LYS A 72 -14.317 -21.877 17.219 1.00 20.41 H new ATOM 1164 N ALA A 73 -13.675 -15.797 22.174 1.00 54.23 N ATOM 1165 CA ALA A 73 -12.865 -14.993 23.073 1.00 53.42 C ATOM 1166 C ALA A 73 -12.523 -15.679 24.356 1.00 63.01 C ATOM 1167 O ALA A 73 -11.375 -15.618 24.764 1.00 35.22 O ATOM 1168 CB ALA A 73 -13.562 -13.694 23.485 1.00 41.44 C ATOM 0 H ALA A 73 -14.566 -15.361 21.936 1.00 54.23 H new ATOM 0 HA ALA A 73 -11.964 -14.805 22.489 1.00 53.42 H new ATOM 0 HB1 ALA A 73 -12.914 -13.131 24.157 1.00 41.44 H new ATOM 0 HB2 ALA A 73 -13.772 -13.097 22.598 1.00 41.44 H new ATOM 0 HB3 ALA A 73 -14.497 -13.928 23.994 1.00 41.44 H new ATOM 1174 N MET A 74 -13.471 -16.381 25.004 1.00 32.01 N ATOM 1175 CA MET A 74 -13.196 -17.032 26.275 1.00 20.41 C ATOM 1176 C MET A 74 -12.089 -18.073 26.185 1.00 12.13 C ATOM 1177 O MET A 74 -11.229 -18.162 27.057 1.00 13.21 O ATOM 1178 CB MET A 74 -14.472 -17.710 26.809 1.00 22.30 C ATOM 1179 CG MET A 74 -15.545 -16.706 27.262 1.00 54.41 C ATOM 1180 SD MET A 74 -15.131 -15.780 28.780 1.00 51.03 S ATOM 1181 CE MET A 74 -14.971 -17.137 29.978 1.00 74.11 C ATOM 0 H MET A 74 -14.424 -16.505 24.662 1.00 32.01 H new ATOM 0 HA MET A 74 -12.860 -16.249 26.954 1.00 20.41 H new ATOM 0 HB2 MET A 74 -14.888 -18.351 26.032 1.00 22.30 H new ATOM 0 HB3 MET A 74 -14.210 -18.355 27.648 1.00 22.30 H new ATOM 0 HG2 MET A 74 -15.721 -15.994 26.455 1.00 54.41 H new ATOM 0 HG3 MET A 74 -16.480 -17.242 27.424 1.00 54.41 H new ATOM 0 HE1 MET A 74 -15.039 -16.739 30.990 1.00 74.11 H new ATOM 0 HE2 MET A 74 -15.771 -17.860 29.818 1.00 74.11 H new ATOM 0 HE3 MET A 74 -14.007 -17.628 29.845 1.00 74.11 H new ATOM 1191 N GLU A 75 -12.084 -18.872 25.097 1.00 74.33 N ATOM 1192 CA GLU A 75 -11.059 -19.874 24.854 1.00 45.04 C ATOM 1193 C GLU A 75 -9.720 -19.263 24.472 1.00 72.31 C ATOM 1194 O GLU A 75 -8.675 -19.627 25.008 1.00 24.03 O ATOM 1195 CB GLU A 75 -11.507 -20.854 23.739 1.00 74.14 C ATOM 1196 CG GLU A 75 -12.708 -21.739 24.158 1.00 44.01 C ATOM 1197 CD GLU A 75 -13.162 -22.671 23.034 1.00 25.14 C ATOM 1198 OE1 GLU A 75 -12.362 -23.559 22.643 1.00 51.10 O ATOM 1199 OE2 GLU A 75 -14.318 -22.500 22.567 1.00 25.25 O ATOM 0 H GLU A 75 -12.798 -18.830 24.369 1.00 74.33 H new ATOM 0 HA GLU A 75 -10.926 -20.411 25.793 1.00 45.04 H new ATOM 0 HB2 GLU A 75 -11.775 -20.285 22.849 1.00 74.14 H new ATOM 0 HB3 GLU A 75 -10.668 -21.495 23.467 1.00 74.14 H new ATOM 0 HG2 GLU A 75 -12.433 -22.332 25.030 1.00 44.01 H new ATOM 0 HG3 GLU A 75 -13.540 -21.101 24.456 1.00 44.01 H new ATOM 1206 N PHE A 76 -9.751 -18.268 23.563 1.00 35.20 N ATOM 1207 CA PHE A 76 -8.620 -17.477 23.120 1.00 52.23 C ATOM 1208 C PHE A 76 -7.957 -16.698 24.240 1.00 2.34 C ATOM 1209 O PHE A 76 -6.743 -16.742 24.413 1.00 22.21 O ATOM 1210 CB PHE A 76 -9.123 -16.534 21.989 1.00 55.15 C ATOM 1211 CG PHE A 76 -8.127 -15.486 21.587 1.00 61.00 C ATOM 1212 CD1 PHE A 76 -6.967 -15.785 20.865 1.00 21.42 C ATOM 1213 CD2 PHE A 76 -8.327 -14.175 22.043 1.00 2.41 C ATOM 1214 CE1 PHE A 76 -6.063 -14.772 20.524 1.00 33.53 C ATOM 1215 CE2 PHE A 76 -7.381 -13.186 21.781 1.00 61.03 C ATOM 1216 CZ PHE A 76 -6.264 -13.472 20.992 1.00 43.02 C ATOM 0 H PHE A 76 -10.618 -17.992 23.103 1.00 35.20 H new ATOM 0 HA PHE A 76 -7.843 -18.146 22.750 1.00 52.23 H new ATOM 0 HB2 PHE A 76 -9.378 -17.134 21.115 1.00 55.15 H new ATOM 0 HB3 PHE A 76 -10.039 -16.044 22.318 1.00 55.15 H new ATOM 0 HD1 PHE A 76 -6.767 -16.804 20.569 1.00 21.42 H new ATOM 0 HD2 PHE A 76 -9.219 -13.931 22.600 1.00 2.41 H new ATOM 0 HE1 PHE A 76 -5.211 -14.996 19.899 1.00 33.53 H new ATOM 0 HE2 PHE A 76 -7.512 -12.195 22.189 1.00 61.03 H new ATOM 0 HZ PHE A 76 -5.560 -12.691 20.745 1.00 43.02 H new ATOM 1226 N ALA A 77 -8.746 -15.983 25.057 1.00 62.23 N ATOM 1227 CA ALA A 77 -8.252 -15.142 26.113 1.00 72.50 C ATOM 1228 C ALA A 77 -7.475 -15.905 27.166 1.00 30.00 C ATOM 1229 O ALA A 77 -6.415 -15.468 27.613 1.00 61.52 O ATOM 1230 CB ALA A 77 -9.460 -14.436 26.720 1.00 32.14 C ATOM 0 H ALA A 77 -9.763 -15.986 24.985 1.00 62.23 H new ATOM 0 HA ALA A 77 -7.540 -14.426 25.703 1.00 72.50 H new ATOM 0 HB1 ALA A 77 -9.132 -13.784 27.529 1.00 32.14 H new ATOM 0 HB2 ALA A 77 -9.957 -13.841 25.954 1.00 32.14 H new ATOM 0 HB3 ALA A 77 -10.156 -15.178 27.111 1.00 32.14 H new ATOM 1236 N MET A 78 -7.978 -17.102 27.544 1.00 60.24 N ATOM 1237 CA MET A 78 -7.313 -18.006 28.458 1.00 3.43 C ATOM 1238 C MET A 78 -5.987 -18.548 27.936 1.00 72.11 C ATOM 1239 O MET A 78 -5.032 -18.688 28.698 1.00 63.44 O ATOM 1240 CB MET A 78 -8.285 -19.124 28.900 1.00 31.15 C ATOM 1241 CG MET A 78 -9.409 -18.575 29.816 1.00 15.44 C ATOM 1242 SD MET A 78 -10.637 -19.818 30.334 1.00 54.44 S ATOM 1243 CE MET A 78 -9.547 -20.788 31.416 1.00 1.32 C ATOM 0 H MET A 78 -8.873 -17.456 27.207 1.00 60.24 H new ATOM 0 HA MET A 78 -7.034 -17.426 29.337 1.00 3.43 H new ATOM 0 HB2 MET A 78 -8.728 -19.591 28.020 1.00 31.15 H new ATOM 0 HB3 MET A 78 -7.731 -19.900 29.428 1.00 31.15 H new ATOM 0 HG2 MET A 78 -8.955 -18.139 30.706 1.00 15.44 H new ATOM 0 HG3 MET A 78 -9.925 -17.769 29.294 1.00 15.44 H new ATOM 0 HE1 MET A 78 -10.150 -21.430 32.059 1.00 1.32 H new ATOM 0 HE2 MET A 78 -8.884 -21.404 30.808 1.00 1.32 H new ATOM 0 HE3 MET A 78 -8.952 -20.114 32.032 1.00 1.32 H new ATOM 1253 N LYS A 79 -5.859 -18.800 26.609 1.00 0.33 N ATOM 1254 CA LYS A 79 -4.583 -19.137 25.970 1.00 71.43 C ATOM 1255 C LYS A 79 -3.541 -18.021 26.112 1.00 61.03 C ATOM 1256 O LYS A 79 -2.341 -18.280 26.182 1.00 34.41 O ATOM 1257 CB LYS A 79 -4.751 -19.434 24.454 1.00 72.54 C ATOM 1258 CG LYS A 79 -5.526 -20.723 24.124 1.00 53.44 C ATOM 1259 CD LYS A 79 -4.735 -22.013 24.398 1.00 52.12 C ATOM 1260 CE LYS A 79 -5.543 -23.274 24.092 1.00 72.41 C ATOM 1261 NZ LYS A 79 -4.721 -24.470 24.356 1.00 34.44 N ATOM 0 H LYS A 79 -6.645 -18.773 25.960 1.00 0.33 H new ATOM 0 HA LYS A 79 -4.235 -20.029 26.491 1.00 71.43 H new ATOM 0 HB2 LYS A 79 -5.263 -18.591 23.989 1.00 72.54 H new ATOM 0 HB3 LYS A 79 -3.762 -19.496 24.000 1.00 72.54 H new ATOM 0 HG2 LYS A 79 -6.446 -20.742 24.708 1.00 53.44 H new ATOM 0 HG3 LYS A 79 -5.816 -20.702 23.073 1.00 53.44 H new ATOM 0 HD2 LYS A 79 -3.827 -22.013 23.795 1.00 52.12 H new ATOM 0 HD3 LYS A 79 -4.424 -22.029 25.443 1.00 52.12 H new ATOM 0 HE2 LYS A 79 -6.444 -23.298 24.705 1.00 72.41 H new ATOM 0 HE3 LYS A 79 -5.866 -23.266 23.051 1.00 72.41 H new ATOM 0 HZ1 LYS A 79 -5.275 -25.325 24.146 1.00 34.44 H new ATOM 0 HZ2 LYS A 79 -3.874 -24.449 23.753 1.00 34.44 H new ATOM 0 HZ3 LYS A 79 -4.434 -24.480 25.355 1.00 34.44 H new ATOM 1275 N HIS A 80 -3.991 -16.749 26.178 1.00 24.25 N ATOM 1276 CA HIS A 80 -3.167 -15.560 26.303 1.00 3.43 C ATOM 1277 C HIS A 80 -2.951 -15.089 27.724 1.00 12.42 C ATOM 1278 O HIS A 80 -2.451 -13.988 27.951 1.00 75.35 O ATOM 1279 CB HIS A 80 -3.744 -14.431 25.431 1.00 13.23 C ATOM 1280 CG HIS A 80 -3.500 -14.735 23.975 1.00 23.25 C ATOM 1281 ND1 HIS A 80 -2.260 -14.569 23.416 1.00 73.30 N ATOM 1282 CD2 HIS A 80 -4.236 -15.432 23.084 1.00 34.10 C ATOM 1283 CE1 HIS A 80 -2.245 -15.150 22.229 1.00 72.50 C ATOM 1284 NE2 HIS A 80 -3.429 -15.688 22.009 1.00 71.34 N ATOM 0 H HIS A 80 -4.986 -16.529 26.143 1.00 24.25 H new ATOM 0 HA HIS A 80 -2.176 -15.840 25.947 1.00 3.43 H new ATOM 0 HB2 HIS A 80 -4.813 -14.326 25.616 1.00 13.23 H new ATOM 0 HB3 HIS A 80 -3.280 -13.481 25.696 1.00 13.23 H new ATOM 0 HD2 HIS A 80 -5.267 -15.731 23.198 1.00 34.10 H new ATOM 0 HE1 HIS A 80 -1.404 -15.179 21.552 1.00 72.50 H new ATOM 0 HE2 HIS A 80 -3.699 -16.209 21.175 1.00 71.34 H new ATOM 1293 N GLY A 81 -3.267 -15.931 28.731 1.00 32.24 N ATOM 1294 CA GLY A 81 -2.849 -15.684 30.103 1.00 71.23 C ATOM 1295 C GLY A 81 -3.886 -15.012 30.945 1.00 23.33 C ATOM 1296 O GLY A 81 -3.675 -14.807 32.138 1.00 51.23 O ATOM 0 H GLY A 81 -3.811 -16.785 28.606 1.00 32.24 H new ATOM 0 HA2 GLY A 81 -2.580 -16.633 30.566 1.00 71.23 H new ATOM 0 HA3 GLY A 81 -1.950 -15.068 30.092 1.00 71.23 H new ATOM 1300 N ALA A 82 -5.060 -14.678 30.372 1.00 12.14 N ATOM 1301 CA ALA A 82 -6.212 -14.332 31.188 1.00 42.52 C ATOM 1302 C ALA A 82 -6.723 -15.545 31.977 1.00 33.43 C ATOM 1303 O ALA A 82 -6.771 -16.664 31.476 1.00 53.40 O ATOM 1304 CB ALA A 82 -7.360 -13.781 30.316 1.00 44.42 C ATOM 0 H ALA A 82 -5.222 -14.644 29.365 1.00 12.14 H new ATOM 0 HA ALA A 82 -5.887 -13.563 31.889 1.00 42.52 H new ATOM 0 HB1 ALA A 82 -8.210 -13.530 30.950 1.00 44.42 H new ATOM 0 HB2 ALA A 82 -7.022 -12.887 29.791 1.00 44.42 H new ATOM 0 HB3 ALA A 82 -7.660 -14.536 29.590 1.00 44.42 H new ATOM 1310 N ASP A 83 -7.141 -15.369 33.253 1.00 74.41 N ATOM 1311 CA ASP A 83 -7.849 -16.425 33.963 1.00 74.41 C ATOM 1312 C ASP A 83 -9.311 -16.380 33.543 1.00 75.44 C ATOM 1313 O ASP A 83 -9.751 -15.439 32.887 1.00 42.14 O ATOM 1314 CB ASP A 83 -7.755 -16.282 35.501 1.00 63.13 C ATOM 1315 CG ASP A 83 -6.303 -16.386 35.957 1.00 44.34 C ATOM 1316 OD1 ASP A 83 -5.801 -15.381 36.523 1.00 43.25 O ATOM 1317 OD2 ASP A 83 -5.709 -17.478 35.774 1.00 4.24 O ATOM 0 H ASP A 83 -6.997 -14.515 33.792 1.00 74.41 H new ATOM 0 HA ASP A 83 -7.384 -17.376 33.704 1.00 74.41 H new ATOM 0 HB2 ASP A 83 -8.172 -15.323 35.810 1.00 63.13 H new ATOM 0 HB3 ASP A 83 -8.350 -17.058 35.982 1.00 63.13 H new ATOM 1322 N GLU A 84 -10.121 -17.395 33.919 1.00 75.21 N ATOM 1323 CA GLU A 84 -11.498 -17.515 33.448 1.00 20.32 C ATOM 1324 C GLU A 84 -12.385 -16.377 33.927 1.00 64.23 C ATOM 1325 O GLU A 84 -13.261 -15.896 33.212 1.00 44.12 O ATOM 1326 CB GLU A 84 -12.120 -18.893 33.822 1.00 71.23 C ATOM 1327 CG GLU A 84 -12.292 -19.172 35.334 1.00 51.13 C ATOM 1328 CD GLU A 84 -12.857 -20.569 35.605 1.00 24.12 C ATOM 1329 OE1 GLU A 84 -13.977 -20.650 36.171 1.00 72.10 O ATOM 1330 OE2 GLU A 84 -12.157 -21.557 35.264 1.00 52.33 O ATOM 0 H GLU A 84 -9.832 -18.141 34.551 1.00 75.21 H new ATOM 0 HA GLU A 84 -11.449 -17.448 32.361 1.00 20.32 H new ATOM 0 HB2 GLU A 84 -13.097 -18.969 33.345 1.00 71.23 H new ATOM 0 HB3 GLU A 84 -11.495 -19.679 33.397 1.00 71.23 H new ATOM 0 HG2 GLU A 84 -11.328 -19.069 35.832 1.00 51.13 H new ATOM 0 HG3 GLU A 84 -12.956 -18.423 35.766 1.00 51.13 H new ATOM 1337 N ALA A 85 -12.107 -15.895 35.156 1.00 41.23 N ATOM 1338 CA ALA A 85 -12.706 -14.738 35.780 1.00 3.23 C ATOM 1339 C ALA A 85 -12.346 -13.446 35.063 1.00 63.03 C ATOM 1340 O ALA A 85 -13.187 -12.588 34.803 1.00 30.00 O ATOM 1341 CB ALA A 85 -12.244 -14.680 37.248 1.00 21.30 C ATOM 0 H ALA A 85 -11.416 -16.342 35.759 1.00 41.23 H new ATOM 0 HA ALA A 85 -13.790 -14.836 35.723 1.00 3.23 H new ATOM 0 HB1 ALA A 85 -12.687 -13.811 37.735 1.00 21.30 H new ATOM 0 HB2 ALA A 85 -12.560 -15.586 37.765 1.00 21.30 H new ATOM 0 HB3 ALA A 85 -11.157 -14.601 37.285 1.00 21.30 H new ATOM 1347 N MET A 86 -11.053 -13.289 34.707 1.00 1.53 N ATOM 1348 CA MET A 86 -10.546 -12.130 34.012 1.00 54.50 C ATOM 1349 C MET A 86 -11.007 -12.072 32.572 1.00 62.11 C ATOM 1350 O MET A 86 -11.275 -10.998 32.037 1.00 23.11 O ATOM 1351 CB MET A 86 -9.010 -12.065 34.052 1.00 24.11 C ATOM 1352 CG MET A 86 -8.422 -11.989 35.476 1.00 3.14 C ATOM 1353 SD MET A 86 -9.115 -10.696 36.545 1.00 22.02 S ATOM 1354 CE MET A 86 -7.965 -10.990 37.917 1.00 1.11 C ATOM 0 H MET A 86 -10.336 -13.987 34.907 1.00 1.53 H new ATOM 0 HA MET A 86 -10.955 -11.269 34.541 1.00 54.50 H new ATOM 0 HB2 MET A 86 -8.606 -12.944 33.550 1.00 24.11 H new ATOM 0 HB3 MET A 86 -8.679 -11.194 33.486 1.00 24.11 H new ATOM 0 HG2 MET A 86 -8.569 -12.954 35.962 1.00 3.14 H new ATOM 0 HG3 MET A 86 -7.346 -11.832 35.397 1.00 3.14 H new ATOM 0 HE1 MET A 86 -8.186 -10.300 38.731 1.00 1.11 H new ATOM 0 HE2 MET A 86 -8.075 -12.015 38.271 1.00 1.11 H new ATOM 0 HE3 MET A 86 -6.942 -10.832 37.575 1.00 1.11 H new ATOM 1364 N ALA A 87 -11.117 -13.243 31.910 1.00 0.22 N ATOM 1365 CA ALA A 87 -11.631 -13.355 30.563 1.00 62.02 C ATOM 1366 C ALA A 87 -13.064 -12.843 30.430 1.00 14.32 C ATOM 1367 O ALA A 87 -13.379 -12.009 29.582 1.00 25.33 O ATOM 1368 CB ALA A 87 -11.573 -14.835 30.125 1.00 51.43 C ATOM 0 H ALA A 87 -10.843 -14.138 32.316 1.00 0.22 H new ATOM 0 HA ALA A 87 -11.008 -12.731 29.922 1.00 62.02 H new ATOM 0 HB1 ALA A 87 -11.959 -14.929 29.110 1.00 51.43 H new ATOM 0 HB2 ALA A 87 -10.540 -15.183 30.155 1.00 51.43 H new ATOM 0 HB3 ALA A 87 -12.179 -15.438 30.801 1.00 51.43 H new ATOM 1374 N LYS A 88 -13.960 -13.271 31.347 1.00 74.03 N ATOM 1375 CA LYS A 88 -15.337 -12.809 31.380 1.00 72.45 C ATOM 1376 C LYS A 88 -15.456 -11.361 31.810 1.00 25.41 C ATOM 1377 O LYS A 88 -16.364 -10.657 31.379 1.00 33.44 O ATOM 1378 CB LYS A 88 -16.271 -13.707 32.240 1.00 24.25 C ATOM 1379 CG LYS A 88 -15.988 -13.756 33.750 1.00 50.24 C ATOM 1380 CD LYS A 88 -16.984 -14.640 34.522 1.00 0.52 C ATOM 1381 CE LYS A 88 -18.353 -13.983 34.702 1.00 74.20 C ATOM 1382 NZ LYS A 88 -19.282 -14.928 35.352 1.00 53.51 N ATOM 0 H LYS A 88 -13.734 -13.946 32.078 1.00 74.03 H new ATOM 0 HA LYS A 88 -15.678 -12.885 30.347 1.00 72.45 H new ATOM 0 HB2 LYS A 88 -17.296 -13.365 32.098 1.00 24.25 H new ATOM 0 HB3 LYS A 88 -16.217 -14.724 31.851 1.00 24.25 H new ATOM 0 HG2 LYS A 88 -14.977 -14.130 33.912 1.00 50.24 H new ATOM 0 HG3 LYS A 88 -16.021 -12.744 34.153 1.00 50.24 H new ATOM 0 HD2 LYS A 88 -17.108 -15.585 33.993 1.00 0.52 H new ATOM 0 HD3 LYS A 88 -16.569 -14.875 35.502 1.00 0.52 H new ATOM 0 HE2 LYS A 88 -18.257 -13.081 35.306 1.00 74.20 H new ATOM 0 HE3 LYS A 88 -18.750 -13.677 33.734 1.00 74.20 H new ATOM 0 HZ1 LYS A 88 -20.211 -14.475 35.471 1.00 53.51 H new ATOM 0 HZ2 LYS A 88 -19.384 -15.777 34.760 1.00 53.51 H new ATOM 0 HZ3 LYS A 88 -18.907 -15.199 36.283 1.00 53.51 H new ATOM 1396 N GLN A 89 -14.498 -10.850 32.618 1.00 3.31 N ATOM 1397 CA GLN A 89 -14.374 -9.443 32.926 1.00 13.22 C ATOM 1398 C GLN A 89 -14.134 -8.547 31.730 1.00 11.50 C ATOM 1399 O GLN A 89 -14.780 -7.506 31.640 1.00 13.31 O ATOM 1400 CB GLN A 89 -13.290 -9.185 34.000 1.00 33.54 C ATOM 1401 CG GLN A 89 -13.074 -7.688 34.309 1.00 64.23 C ATOM 1402 CD GLN A 89 -12.316 -7.443 35.612 1.00 4.21 C ATOM 1403 OE1 GLN A 89 -12.800 -6.762 36.518 1.00 3.14 O ATOM 1404 NE2 GLN A 89 -11.091 -8.013 35.715 1.00 23.52 N ATOM 0 H GLN A 89 -13.790 -11.428 33.070 1.00 3.31 H new ATOM 0 HA GLN A 89 -15.354 -9.171 33.318 1.00 13.22 H new ATOM 0 HB2 GLN A 89 -13.570 -9.701 34.919 1.00 33.54 H new ATOM 0 HB3 GLN A 89 -12.348 -9.619 33.665 1.00 33.54 H new ATOM 0 HG2 GLN A 89 -12.525 -7.230 33.486 1.00 64.23 H new ATOM 0 HG3 GLN A 89 -14.043 -7.192 34.362 1.00 64.23 H new ATOM 0 HE21 GLN A 89 -10.722 -8.571 34.945 1.00 23.52 H new ATOM 0 HE22 GLN A 89 -10.538 -7.884 36.563 1.00 23.52 H new ATOM 1413 N LEU A 90 -13.266 -8.893 30.747 1.00 34.32 N ATOM 1414 CA LEU A 90 -13.093 -8.078 29.579 1.00 24.04 C ATOM 1415 C LEU A 90 -14.360 -7.980 28.739 1.00 64.31 C ATOM 1416 O LEU A 90 -14.746 -6.907 28.277 1.00 11.14 O ATOM 1417 CB LEU A 90 -11.916 -8.628 28.754 1.00 51.12 C ATOM 1418 CG LEU A 90 -10.496 -8.530 29.371 1.00 30.43 C ATOM 1419 CD1 LEU A 90 -9.422 -8.981 28.354 1.00 33.31 C ATOM 1420 CD2 LEU A 90 -10.128 -7.153 29.950 1.00 23.11 C ATOM 0 H LEU A 90 -12.689 -9.734 30.765 1.00 34.32 H new ATOM 0 HA LEU A 90 -12.871 -7.061 29.902 1.00 24.04 H new ATOM 0 HB2 LEU A 90 -12.117 -9.678 28.541 1.00 51.12 H new ATOM 0 HB3 LEU A 90 -11.903 -8.105 27.798 1.00 51.12 H new ATOM 0 HG LEU A 90 -10.519 -9.208 30.224 1.00 30.43 H new ATOM 0 HD11 LEU A 90 -8.435 -8.904 28.809 1.00 33.31 H new ATOM 0 HD12 LEU A 90 -9.608 -10.015 28.063 1.00 33.31 H new ATOM 0 HD13 LEU A 90 -9.466 -8.343 27.472 1.00 33.31 H new ATOM 0 HD21 LEU A 90 -9.117 -7.188 30.357 1.00 23.11 H new ATOM 0 HD22 LEU A 90 -10.176 -6.402 29.161 1.00 23.11 H new ATOM 0 HD23 LEU A 90 -10.829 -6.892 30.743 1.00 23.11 H new ATOM 1432 N LEU A 91 -15.077 -9.108 28.581 1.00 14.32 N ATOM 1433 CA LEU A 91 -16.382 -9.150 27.952 1.00 51.11 C ATOM 1434 C LEU A 91 -17.436 -8.361 28.751 1.00 12.20 C ATOM 1435 O LEU A 91 -18.246 -7.633 28.180 1.00 12.41 O ATOM 1436 CB LEU A 91 -16.766 -10.638 27.743 1.00 21.53 C ATOM 1437 CG LEU A 91 -15.877 -11.361 26.696 1.00 53.31 C ATOM 1438 CD1 LEU A 91 -15.679 -12.839 27.038 1.00 65.45 C ATOM 1439 CD2 LEU A 91 -16.463 -11.282 25.284 1.00 51.32 C ATOM 0 H LEU A 91 -14.749 -10.021 28.896 1.00 14.32 H new ATOM 0 HA LEU A 91 -16.345 -8.654 26.982 1.00 51.11 H new ATOM 0 HB2 LEU A 91 -16.692 -11.162 28.696 1.00 21.53 H new ATOM 0 HB3 LEU A 91 -17.808 -10.696 27.427 1.00 21.53 H new ATOM 0 HG LEU A 91 -14.919 -10.841 26.724 1.00 53.31 H new ATOM 0 HD11 LEU A 91 -15.051 -13.307 26.280 1.00 65.45 H new ATOM 0 HD12 LEU A 91 -15.197 -12.926 28.012 1.00 65.45 H new ATOM 0 HD13 LEU A 91 -16.647 -13.339 27.066 1.00 65.45 H new ATOM 0 HD21 LEU A 91 -15.805 -11.802 24.588 1.00 51.32 H new ATOM 0 HD22 LEU A 91 -17.447 -11.750 25.272 1.00 51.32 H new ATOM 0 HD23 LEU A 91 -16.554 -10.238 24.986 1.00 51.32 H new ATOM 1451 N ASP A 92 -17.426 -8.447 30.108 1.00 41.43 N ATOM 1452 CA ASP A 92 -18.288 -7.686 31.003 1.00 1.53 C ATOM 1453 C ASP A 92 -18.028 -6.177 30.929 1.00 33.12 C ATOM 1454 O ASP A 92 -18.977 -5.401 30.871 1.00 71.54 O ATOM 1455 CB ASP A 92 -18.128 -8.213 32.459 1.00 22.04 C ATOM 1456 CG ASP A 92 -19.145 -7.631 33.440 1.00 34.30 C ATOM 1457 OD1 ASP A 92 -20.364 -7.843 33.215 1.00 2.41 O ATOM 1458 OD2 ASP A 92 -18.702 -6.994 34.430 1.00 11.23 O ATOM 0 H ASP A 92 -16.793 -9.071 30.607 1.00 41.43 H new ATOM 0 HA ASP A 92 -19.318 -7.833 30.678 1.00 1.53 H new ATOM 0 HB2 ASP A 92 -18.221 -9.299 32.455 1.00 22.04 H new ATOM 0 HB3 ASP A 92 -17.123 -7.981 32.811 1.00 22.04 H new ATOM 1463 N ILE A 93 -16.744 -5.729 30.877 1.00 1.05 N ATOM 1464 CA ILE A 93 -16.364 -4.321 30.705 1.00 24.13 C ATOM 1465 C ILE A 93 -16.921 -3.783 29.415 1.00 42.32 C ATOM 1466 O ILE A 93 -17.496 -2.697 29.389 1.00 54.42 O ATOM 1467 CB ILE A 93 -14.849 -4.079 30.648 1.00 45.54 C ATOM 1468 CG1 ILE A 93 -14.142 -4.303 32.002 1.00 73.43 C ATOM 1469 CG2 ILE A 93 -14.509 -2.662 30.121 1.00 41.24 C ATOM 1470 CD1 ILE A 93 -12.606 -4.378 31.900 1.00 74.14 C ATOM 0 H ILE A 93 -15.941 -6.354 30.956 1.00 1.05 H new ATOM 0 HA ILE A 93 -16.769 -3.819 31.584 1.00 24.13 H new ATOM 0 HB ILE A 93 -14.472 -4.825 29.948 1.00 45.54 H new ATOM 0 HG12 ILE A 93 -14.412 -3.493 32.680 1.00 73.43 H new ATOM 0 HG13 ILE A 93 -14.512 -5.227 32.446 1.00 73.43 H new ATOM 0 HG21 ILE A 93 -13.427 -2.533 30.097 1.00 41.24 H new ATOM 0 HG22 ILE A 93 -14.911 -2.542 29.115 1.00 41.24 H new ATOM 0 HG23 ILE A 93 -14.949 -1.913 30.780 1.00 41.24 H new ATOM 0 HD11 ILE A 93 -12.183 -4.537 32.892 1.00 74.14 H new ATOM 0 HD12 ILE A 93 -12.325 -5.206 31.249 1.00 74.14 H new ATOM 0 HD13 ILE A 93 -12.223 -3.445 31.487 1.00 74.14 H new ATOM 1482 N LYS A 94 -16.800 -4.551 28.313 1.00 13.01 N ATOM 1483 CA LYS A 94 -17.291 -4.141 27.022 1.00 72.54 C ATOM 1484 C LYS A 94 -18.764 -3.884 27.048 1.00 75.21 C ATOM 1485 O LYS A 94 -19.217 -2.782 26.764 1.00 42.54 O ATOM 1486 CB LYS A 94 -17.041 -5.266 25.982 1.00 21.30 C ATOM 1487 CG LYS A 94 -17.709 -4.973 24.638 1.00 12.43 C ATOM 1488 CD LYS A 94 -17.648 -6.064 23.569 1.00 55.34 C ATOM 1489 CE LYS A 94 -18.702 -5.662 22.550 1.00 41.50 C ATOM 1490 NZ LYS A 94 -18.558 -6.379 21.277 1.00 32.14 N ATOM 0 H LYS A 94 -16.356 -5.469 28.314 1.00 13.01 H new ATOM 0 HA LYS A 94 -16.763 -3.225 26.756 1.00 72.54 H new ATOM 0 HB2 LYS A 94 -15.968 -5.388 25.833 1.00 21.30 H new ATOM 0 HB3 LYS A 94 -17.418 -6.211 26.374 1.00 21.30 H new ATOM 0 HG2 LYS A 94 -18.758 -4.744 24.826 1.00 12.43 H new ATOM 0 HG3 LYS A 94 -17.255 -4.072 24.226 1.00 12.43 H new ATOM 0 HD2 LYS A 94 -16.659 -6.119 23.115 1.00 55.34 H new ATOM 0 HD3 LYS A 94 -17.860 -7.046 23.992 1.00 55.34 H new ATOM 0 HE2 LYS A 94 -19.693 -5.855 22.962 1.00 41.50 H new ATOM 0 HE3 LYS A 94 -18.636 -4.589 22.368 1.00 41.50 H new ATOM 0 HZ1 LYS A 94 -19.246 -6.009 20.590 1.00 32.14 H new ATOM 0 HZ2 LYS A 94 -17.595 -6.244 20.910 1.00 32.14 H new ATOM 0 HZ3 LYS A 94 -18.732 -7.393 21.428 1.00 32.14 H new ATOM 1504 N HIS A 95 -19.567 -4.858 27.488 1.00 52.24 N ATOM 1505 CA HIS A 95 -20.995 -4.692 27.430 1.00 2.53 C ATOM 1506 C HIS A 95 -21.490 -3.669 28.442 1.00 41.31 C ATOM 1507 O HIS A 95 -22.505 -3.011 28.225 1.00 71.34 O ATOM 1508 CB HIS A 95 -21.672 -6.061 27.580 1.00 53.04 C ATOM 1509 CG HIS A 95 -21.516 -6.850 26.308 1.00 3.42 C ATOM 1510 ND1 HIS A 95 -22.336 -6.602 25.241 1.00 43.12 N ATOM 1511 CD2 HIS A 95 -20.551 -7.692 25.873 1.00 34.01 C ATOM 1512 CE1 HIS A 95 -21.892 -7.273 24.197 1.00 31.52 C ATOM 1513 NE2 HIS A 95 -20.807 -7.937 24.549 1.00 43.34 N ATOM 0 H HIS A 95 -19.248 -5.745 27.877 1.00 52.24 H new ATOM 0 HA HIS A 95 -21.269 -4.286 26.456 1.00 2.53 H new ATOM 0 HB2 HIS A 95 -21.229 -6.606 28.413 1.00 53.04 H new ATOM 0 HB3 HIS A 95 -22.729 -5.931 27.810 1.00 53.04 H new ATOM 0 HD2 HIS A 95 -19.736 -8.094 26.456 1.00 34.01 H new ATOM 0 HE1 HIS A 95 -22.342 -7.279 23.215 1.00 31.52 H new ATOM 0 HE2 HIS A 95 -20.251 -8.534 23.937 1.00 43.34 H new ATOM 1522 N SER A 96 -20.737 -3.471 29.555 1.00 51.33 N ATOM 1523 CA SER A 96 -20.974 -2.403 30.522 1.00 42.01 C ATOM 1524 C SER A 96 -20.745 -1.026 29.945 1.00 11.25 C ATOM 1525 O SER A 96 -21.447 -0.066 30.235 1.00 44.35 O ATOM 1526 CB SER A 96 -20.059 -2.551 31.760 1.00 14.33 C ATOM 1527 OG SER A 96 -20.366 -1.629 32.807 1.00 12.42 O ATOM 0 H SER A 96 -19.942 -4.063 29.796 1.00 51.33 H new ATOM 0 HA SER A 96 -22.022 -2.501 30.804 1.00 42.01 H new ATOM 0 HB2 SER A 96 -20.143 -3.567 32.145 1.00 14.33 H new ATOM 0 HB3 SER A 96 -19.022 -2.410 31.455 1.00 14.33 H new ATOM 0 HG SER A 96 -19.755 -1.774 33.560 1.00 12.42 H new ATOM 1533 N CYS A 97 -19.690 -0.889 29.138 1.00 25.33 N ATOM 1534 CA CYS A 97 -19.382 0.309 28.398 1.00 2.02 C ATOM 1535 C CYS A 97 -20.355 0.619 27.283 1.00 23.25 C ATOM 1536 O CYS A 97 -20.674 1.778 27.039 1.00 13.15 O ATOM 1537 CB CYS A 97 -17.930 0.284 27.906 1.00 40.54 C ATOM 1538 SG CYS A 97 -16.716 0.750 29.165 1.00 12.45 S ATOM 0 H CYS A 97 -19.015 -1.638 28.986 1.00 25.33 H new ATOM 0 HA CYS A 97 -19.498 1.136 29.099 1.00 2.02 H new ATOM 0 HB2 CYS A 97 -17.697 -0.718 27.545 1.00 40.54 H new ATOM 0 HB3 CYS A 97 -17.834 0.960 27.056 1.00 40.54 H new ATOM 1543 N GLU A 98 -20.890 -0.411 26.594 1.00 52.12 N ATOM 1544 CA GLU A 98 -21.771 -0.277 25.437 1.00 54.45 C ATOM 1545 C GLU A 98 -23.047 0.471 25.747 1.00 1.42 C ATOM 1546 O GLU A 98 -23.633 1.114 24.884 1.00 61.24 O ATOM 1547 CB GLU A 98 -22.146 -1.674 24.878 1.00 71.14 C ATOM 1548 CG GLU A 98 -20.962 -2.387 24.188 1.00 44.11 C ATOM 1549 CD GLU A 98 -20.735 -1.930 22.746 1.00 64.22 C ATOM 1550 OE1 GLU A 98 -20.453 -0.725 22.529 1.00 43.01 O ATOM 1551 OE2 GLU A 98 -20.847 -2.800 21.842 1.00 51.51 O ATOM 0 H GLU A 98 -20.709 -1.384 26.843 1.00 52.12 H new ATOM 0 HA GLU A 98 -21.212 0.299 24.700 1.00 54.45 H new ATOM 0 HB2 GLU A 98 -22.514 -2.298 25.692 1.00 71.14 H new ATOM 0 HB3 GLU A 98 -22.963 -1.566 24.165 1.00 71.14 H new ATOM 0 HG2 GLU A 98 -20.054 -2.209 24.765 1.00 44.11 H new ATOM 0 HG3 GLU A 98 -21.140 -3.462 24.197 1.00 44.11 H new ATOM 1558 N LYS A 99 -23.506 0.380 27.004 1.00 12.23 N ATOM 1559 CA LYS A 99 -24.736 1.009 27.441 1.00 13.10 C ATOM 1560 C LYS A 99 -24.518 2.450 27.883 1.00 35.15 C ATOM 1561 O LYS A 99 -25.472 3.222 27.955 1.00 72.32 O ATOM 1562 CB LYS A 99 -25.396 0.162 28.563 1.00 10.04 C ATOM 1563 CG LYS A 99 -24.668 0.194 29.914 1.00 22.14 C ATOM 1564 CD LYS A 99 -24.786 -1.102 30.735 1.00 31.33 C ATOM 1565 CE LYS A 99 -26.220 -1.468 31.118 1.00 31.21 C ATOM 1566 NZ LYS A 99 -26.215 -2.681 31.959 1.00 45.14 N ATOM 0 H LYS A 99 -23.024 -0.137 27.740 1.00 12.23 H new ATOM 0 HA LYS A 99 -25.415 1.049 26.589 1.00 13.10 H new ATOM 0 HB2 LYS A 99 -26.417 0.513 28.709 1.00 10.04 H new ATOM 0 HB3 LYS A 99 -25.460 -0.873 28.226 1.00 10.04 H new ATOM 0 HG2 LYS A 99 -23.613 0.403 29.739 1.00 22.14 H new ATOM 0 HG3 LYS A 99 -25.062 1.020 30.505 1.00 22.14 H new ATOM 0 HD2 LYS A 99 -24.353 -1.923 30.163 1.00 31.33 H new ATOM 0 HD3 LYS A 99 -24.193 -0.999 31.644 1.00 31.33 H new ATOM 0 HE2 LYS A 99 -26.685 -0.642 31.656 1.00 31.21 H new ATOM 0 HE3 LYS A 99 -26.814 -1.638 30.220 1.00 31.21 H new ATOM 0 HZ1 LYS A 99 -27.191 -2.928 32.218 1.00 45.14 H new ATOM 0 HZ2 LYS A 99 -25.788 -3.468 31.430 1.00 45.14 H new ATOM 0 HZ3 LYS A 99 -25.662 -2.503 32.822 1.00 45.14 H new ATOM 1580 N VAL A 100 -23.254 2.851 28.196 1.00 32.41 N ATOM 1581 CA VAL A 100 -22.941 4.174 28.703 1.00 60.23 C ATOM 1582 C VAL A 100 -22.374 5.059 27.614 1.00 31.42 C ATOM 1583 O VAL A 100 -22.578 6.271 27.617 1.00 62.12 O ATOM 1584 CB VAL A 100 -21.984 4.153 29.898 1.00 41.43 C ATOM 1585 CG1 VAL A 100 -22.649 3.334 31.012 1.00 10.01 C ATOM 1586 CG2 VAL A 100 -20.593 3.584 29.591 1.00 14.34 C ATOM 0 H VAL A 100 -22.437 2.248 28.096 1.00 32.41 H new ATOM 0 HA VAL A 100 -23.888 4.586 29.052 1.00 60.23 H new ATOM 0 HB VAL A 100 -21.808 5.187 30.193 1.00 41.43 H new ATOM 0 HG11 VAL A 100 -21.991 3.299 31.880 1.00 10.01 H new ATOM 0 HG12 VAL A 100 -23.594 3.800 31.291 1.00 10.01 H new ATOM 0 HG13 VAL A 100 -22.835 2.320 30.657 1.00 10.01 H new ATOM 0 HG21 VAL A 100 -19.983 3.608 30.494 1.00 14.34 H new ATOM 0 HG22 VAL A 100 -20.689 2.555 29.245 1.00 14.34 H new ATOM 0 HG23 VAL A 100 -20.117 4.185 28.816 1.00 14.34 H new ATOM 1596 N ILE A 101 -21.646 4.469 26.640 1.00 62.14 N ATOM 1597 CA ILE A 101 -21.130 5.194 25.489 1.00 62.22 C ATOM 1598 C ILE A 101 -22.190 5.622 24.489 1.00 51.10 C ATOM 1599 O ILE A 101 -23.246 5.011 24.337 1.00 71.34 O ATOM 1600 CB ILE A 101 -20.054 4.448 24.714 1.00 21.11 C ATOM 1601 CG1 ILE A 101 -20.534 3.099 24.133 1.00 1.42 C ATOM 1602 CG2 ILE A 101 -18.805 4.276 25.601 1.00 23.21 C ATOM 1603 CD1 ILE A 101 -20.130 2.925 22.673 1.00 34.43 C ATOM 0 H ILE A 101 -21.407 3.477 26.642 1.00 62.14 H new ATOM 0 HA ILE A 101 -20.698 6.077 25.960 1.00 62.22 H new ATOM 0 HB ILE A 101 -19.799 5.054 23.845 1.00 21.11 H new ATOM 0 HG12 ILE A 101 -20.118 2.282 24.723 1.00 1.42 H new ATOM 0 HG13 ILE A 101 -21.619 3.034 24.218 1.00 1.42 H new ATOM 0 HG21 ILE A 101 -18.035 3.741 25.045 1.00 23.21 H new ATOM 0 HG22 ILE A 101 -18.428 5.256 25.892 1.00 23.21 H new ATOM 0 HG23 ILE A 101 -19.068 3.708 26.494 1.00 23.21 H new ATOM 0 HD11 ILE A 101 -20.489 1.963 22.308 1.00 34.43 H new ATOM 0 HD12 ILE A 101 -20.568 3.725 22.076 1.00 34.43 H new ATOM 0 HD13 ILE A 101 -19.044 2.962 22.589 1.00 34.43 H new ATOM 1615 N THR A 102 -21.898 6.706 23.732 1.00 12.41 N ATOM 1616 CA THR A 102 -22.654 7.040 22.534 1.00 53.04 C ATOM 1617 C THR A 102 -22.463 6.020 21.433 1.00 55.22 C ATOM 1618 O THR A 102 -21.347 5.723 21.005 1.00 33.14 O ATOM 1619 CB THR A 102 -22.360 8.434 21.980 1.00 41.44 C ATOM 1620 OG1 THR A 102 -22.720 9.421 22.935 1.00 42.32 O ATOM 1621 CG2 THR A 102 -23.102 8.723 20.657 1.00 74.50 C ATOM 0 H THR A 102 -21.140 7.356 23.943 1.00 12.41 H new ATOM 0 HA THR A 102 -23.693 7.030 22.865 1.00 53.04 H new ATOM 0 HB THR A 102 -21.290 8.468 21.774 1.00 41.44 H new ATOM 0 HG1 THR A 102 -22.527 10.311 22.574 1.00 42.32 H new ATOM 0 HG21 THR A 102 -22.854 9.727 20.313 1.00 74.50 H new ATOM 0 HG22 THR A 102 -22.799 7.996 19.904 1.00 74.50 H new ATOM 0 HG23 THR A 102 -24.177 8.651 20.820 1.00 74.50 H new ATOM 1629 N ILE A 103 -23.608 5.515 20.935 1.00 13.12 N ATOM 1630 CA ILE A 103 -23.795 4.598 19.856 1.00 62.01 C ATOM 1631 C ILE A 103 -24.421 5.424 18.793 1.00 43.01 C ATOM 1632 O ILE A 103 -25.364 6.175 19.041 1.00 23.55 O ATOM 1633 CB ILE A 103 -24.724 3.437 20.154 1.00 11.04 C ATOM 1634 CG1 ILE A 103 -24.127 2.599 21.300 1.00 71.20 C ATOM 1635 CG2 ILE A 103 -25.072 2.619 18.878 1.00 51.42 C ATOM 1636 CD1 ILE A 103 -25.008 1.423 21.694 1.00 13.21 C ATOM 0 H ILE A 103 -24.504 5.785 21.340 1.00 13.12 H new ATOM 0 HA ILE A 103 -22.838 4.140 19.606 1.00 62.01 H new ATOM 0 HB ILE A 103 -25.688 3.815 20.493 1.00 11.04 H new ATOM 0 HG12 ILE A 103 -23.147 2.228 21.000 1.00 71.20 H new ATOM 0 HG13 ILE A 103 -23.973 3.239 22.169 1.00 71.20 H new ATOM 0 HG21 ILE A 103 -25.739 1.799 19.142 1.00 51.42 H new ATOM 0 HG22 ILE A 103 -25.564 3.268 18.153 1.00 51.42 H new ATOM 0 HG23 ILE A 103 -24.157 2.217 18.443 1.00 51.42 H new ATOM 0 HD11 ILE A 103 -24.535 0.870 22.506 1.00 13.21 H new ATOM 0 HD12 ILE A 103 -25.980 1.791 22.023 1.00 13.21 H new ATOM 0 HD13 ILE A 103 -25.141 0.764 20.836 1.00 13.21 H new ATOM 1648 N VAL A 104 -23.891 5.305 17.577 1.00 31.24 N ATOM 1649 CA VAL A 104 -24.427 6.029 16.468 1.00 15.11 C ATOM 1650 C VAL A 104 -24.997 5.002 15.520 1.00 64.22 C ATOM 1651 O VAL A 104 -24.327 4.065 15.093 1.00 11.42 O ATOM 1652 CB VAL A 104 -23.390 6.784 15.721 1.00 15.44 C ATOM 1653 CG1 VAL A 104 -23.971 7.658 14.649 1.00 3.30 C ATOM 1654 CG2 VAL A 104 -22.427 7.575 16.594 1.00 72.42 C ATOM 0 H VAL A 104 -23.093 4.711 17.353 1.00 31.24 H new ATOM 0 HA VAL A 104 -25.160 6.744 16.842 1.00 15.11 H new ATOM 0 HB VAL A 104 -22.795 6.004 15.245 1.00 15.44 H new ATOM 0 HG11 VAL A 104 -23.168 8.186 14.135 1.00 3.30 H new ATOM 0 HG12 VAL A 104 -24.516 7.042 13.933 1.00 3.30 H new ATOM 0 HG13 VAL A 104 -24.652 8.381 15.098 1.00 3.30 H new ATOM 0 HG21 VAL A 104 -21.706 8.094 15.963 1.00 72.42 H new ATOM 0 HG22 VAL A 104 -22.984 8.304 17.182 1.00 72.42 H new ATOM 0 HG23 VAL A 104 -21.900 6.895 17.263 1.00 72.42 H new ATOM 1664 N ALA A 105 -26.262 5.194 15.139 1.00 11.33 N ATOM 1665 CA ALA A 105 -26.950 4.414 14.136 1.00 11.21 C ATOM 1666 C ALA A 105 -26.362 4.512 12.742 1.00 2.13 C ATOM 1667 O ALA A 105 -26.179 3.522 12.039 1.00 75.23 O ATOM 1668 CB ALA A 105 -28.414 4.857 14.102 1.00 13.41 C ATOM 0 H ALA A 105 -26.847 5.926 15.542 1.00 11.33 H new ATOM 0 HA ALA A 105 -26.841 3.369 14.425 1.00 11.21 H new ATOM 0 HB1 ALA A 105 -28.952 4.279 13.350 1.00 13.41 H new ATOM 0 HB2 ALA A 105 -28.867 4.691 15.079 1.00 13.41 H new ATOM 0 HB3 ALA A 105 -28.468 5.917 13.852 1.00 13.41 H new ATOM 1674 N ASP A 106 -26.032 5.755 12.341 1.00 32.42 N ATOM 1675 CA ASP A 106 -25.347 6.106 11.119 1.00 13.30 C ATOM 1676 C ASP A 106 -23.932 5.537 11.052 1.00 73.15 C ATOM 1677 O ASP A 106 -23.460 5.161 9.983 1.00 74.35 O ATOM 1678 CB ASP A 106 -25.352 7.657 10.959 1.00 45.41 C ATOM 1679 CG ASP A 106 -24.805 8.132 9.611 1.00 62.11 C ATOM 1680 OD1 ASP A 106 -23.738 8.797 9.621 1.00 31.43 O ATOM 1681 OD2 ASP A 106 -25.467 7.853 8.580 1.00 54.34 O ATOM 0 H ASP A 106 -26.257 6.575 12.905 1.00 32.42 H new ATOM 0 HA ASP A 106 -25.883 5.654 10.284 1.00 13.30 H new ATOM 0 HB2 ASP A 106 -26.372 8.024 11.078 1.00 45.41 H new ATOM 0 HB3 ASP A 106 -24.759 8.099 11.759 1.00 45.41 H new ATOM 1686 N ASP A 107 -23.207 5.547 12.189 1.00 63.53 N ATOM 1687 CA ASP A 107 -21.762 5.430 12.165 1.00 14.51 C ATOM 1688 C ASP A 107 -21.298 4.371 13.166 1.00 50.34 C ATOM 1689 O ASP A 107 -21.097 4.721 14.330 1.00 32.00 O ATOM 1690 CB ASP A 107 -21.114 6.802 12.510 1.00 41.21 C ATOM 1691 CG ASP A 107 -19.612 6.801 12.266 1.00 71.34 C ATOM 1692 OD1 ASP A 107 -19.203 6.595 11.096 1.00 41.42 O ATOM 1693 OD2 ASP A 107 -18.861 6.956 13.263 1.00 24.23 O ATOM 0 H ASP A 107 -23.609 5.635 13.122 1.00 63.53 H new ATOM 0 HA ASP A 107 -21.452 5.128 11.165 1.00 14.51 H new ATOM 0 HB2 ASP A 107 -21.578 7.584 11.909 1.00 41.21 H new ATOM 0 HB3 ASP A 107 -21.311 7.044 13.554 1.00 41.21 H new ATOM 1698 N PRO A 108 -21.032 3.117 12.824 1.00 22.24 N ATOM 1699 CA PRO A 108 -20.544 2.128 13.785 1.00 75.31 C ATOM 1700 C PRO A 108 -19.134 2.425 14.275 1.00 62.12 C ATOM 1701 O PRO A 108 -18.694 1.807 15.244 1.00 63.24 O ATOM 1702 CB PRO A 108 -20.608 0.808 12.999 1.00 5.54 C ATOM 1703 CG PRO A 108 -20.440 1.228 11.536 1.00 25.05 C ATOM 1704 CD PRO A 108 -21.200 2.552 11.481 1.00 1.35 C ATOM 0 HA PRO A 108 -21.139 2.114 14.698 1.00 75.31 H new ATOM 0 HB2 PRO A 108 -19.819 0.122 13.309 1.00 5.54 H new ATOM 0 HB3 PRO A 108 -21.557 0.296 13.159 1.00 5.54 H new ATOM 0 HG2 PRO A 108 -19.391 1.351 11.267 1.00 25.05 H new ATOM 0 HG3 PRO A 108 -20.860 0.491 10.852 1.00 25.05 H new ATOM 0 HD2 PRO A 108 -20.793 3.214 10.716 1.00 1.35 H new ATOM 0 HD3 PRO A 108 -22.252 2.398 11.242 1.00 1.35 H new ATOM 1712 N CYS A 109 -18.398 3.340 13.606 1.00 72.42 N ATOM 1713 CA CYS A 109 -17.027 3.672 13.909 1.00 54.42 C ATOM 1714 C CYS A 109 -16.931 4.405 15.239 1.00 65.04 C ATOM 1715 O CYS A 109 -16.114 4.062 16.089 1.00 53.33 O ATOM 1716 CB CYS A 109 -16.426 4.531 12.773 1.00 52.24 C ATOM 1717 SG CYS A 109 -16.459 3.673 11.163 1.00 2.12 S ATOM 0 H CYS A 109 -18.772 3.872 12.820 1.00 72.42 H new ATOM 0 HA CYS A 109 -16.456 2.747 13.990 1.00 54.42 H new ATOM 0 HB2 CYS A 109 -16.981 5.466 12.695 1.00 52.24 H new ATOM 0 HB3 CYS A 109 -15.397 4.791 13.023 1.00 52.24 H new ATOM 1722 N GLN A 110 -17.829 5.395 15.485 1.00 73.04 N ATOM 1723 CA GLN A 110 -17.965 6.074 16.766 1.00 43.44 C ATOM 1724 C GLN A 110 -18.360 5.118 17.852 1.00 11.31 C ATOM 1725 O GLN A 110 -17.733 5.108 18.903 1.00 33.32 O ATOM 1726 CB GLN A 110 -19.015 7.217 16.714 1.00 41.32 C ATOM 1727 CG GLN A 110 -18.472 8.624 17.057 1.00 63.35 C ATOM 1728 CD GLN A 110 -17.864 9.292 15.831 1.00 34.34 C ATOM 1729 OE1 GLN A 110 -18.203 10.419 15.466 1.00 32.44 O ATOM 1730 NE2 GLN A 110 -16.982 8.533 15.141 1.00 60.24 N ATOM 0 H GLN A 110 -18.480 5.736 14.778 1.00 73.04 H new ATOM 0 HA GLN A 110 -16.986 6.500 16.985 1.00 43.44 H new ATOM 0 HB2 GLN A 110 -19.448 7.246 15.714 1.00 41.32 H new ATOM 0 HB3 GLN A 110 -19.823 6.978 17.405 1.00 41.32 H new ATOM 0 HG2 GLN A 110 -19.279 9.243 17.449 1.00 63.35 H new ATOM 0 HG3 GLN A 110 -17.720 8.545 17.842 1.00 63.35 H new ATOM 0 HE21 GLN A 110 -16.731 7.605 15.482 1.00 60.24 H new ATOM 0 HE22 GLN A 110 -16.568 8.889 14.279 1.00 60.24 H new ATOM 1739 N THR A 111 -19.345 4.229 17.584 1.00 3.01 N ATOM 1740 CA THR A 111 -19.741 3.195 18.541 1.00 3.21 C ATOM 1741 C THR A 111 -18.556 2.319 18.944 1.00 24.34 C ATOM 1742 O THR A 111 -18.319 2.108 20.130 1.00 1.45 O ATOM 1743 CB THR A 111 -20.811 2.262 17.998 1.00 52.22 C ATOM 1744 OG1 THR A 111 -21.953 3.004 17.592 1.00 24.11 O ATOM 1745 CG2 THR A 111 -21.244 1.233 19.071 1.00 45.40 C ATOM 0 H THR A 111 -19.873 4.215 16.712 1.00 3.01 H new ATOM 0 HA THR A 111 -20.133 3.745 19.396 1.00 3.21 H new ATOM 0 HB THR A 111 -20.387 1.735 17.143 1.00 52.22 H new ATOM 0 HG1 THR A 111 -22.486 2.468 16.968 1.00 24.11 H new ATOM 0 HG21 THR A 111 -22.010 0.577 18.658 1.00 45.40 H new ATOM 0 HG22 THR A 111 -20.382 0.638 19.374 1.00 45.40 H new ATOM 0 HG23 THR A 111 -21.645 1.758 19.938 1.00 45.40 H new ATOM 1753 N MET A 112 -17.735 1.842 17.978 1.00 52.01 N ATOM 1754 CA MET A 112 -16.563 1.035 18.274 1.00 60.40 C ATOM 1755 C MET A 112 -15.475 1.790 19.035 1.00 54.31 C ATOM 1756 O MET A 112 -14.967 1.321 20.049 1.00 24.20 O ATOM 1757 CB MET A 112 -15.915 0.497 16.973 1.00 72.22 C ATOM 1758 CG MET A 112 -14.905 -0.632 17.233 1.00 43.35 C ATOM 1759 SD MET A 112 -15.699 -2.159 17.830 1.00 32.12 S ATOM 1760 CE MET A 112 -14.383 -2.695 18.961 1.00 22.12 C ATOM 0 H MET A 112 -17.879 2.013 16.983 1.00 52.01 H new ATOM 0 HA MET A 112 -16.936 0.226 18.902 1.00 60.40 H new ATOM 0 HB2 MET A 112 -16.697 0.132 16.307 1.00 72.22 H new ATOM 0 HB3 MET A 112 -15.413 1.316 16.457 1.00 72.22 H new ATOM 0 HG2 MET A 112 -14.360 -0.846 16.313 1.00 43.35 H new ATOM 0 HG3 MET A 112 -14.172 -0.297 17.967 1.00 43.35 H new ATOM 0 HE1 MET A 112 -14.729 -3.549 19.544 1.00 22.12 H new ATOM 0 HE2 MET A 112 -13.503 -2.982 18.385 1.00 22.12 H new ATOM 0 HE3 MET A 112 -14.126 -1.877 19.634 1.00 22.12 H new ATOM 1770 N LEU A 113 -15.104 3.003 18.566 1.00 51.25 N ATOM 1771 CA LEU A 113 -14.056 3.843 19.141 1.00 33.34 C ATOM 1772 C LEU A 113 -14.407 4.361 20.514 1.00 53.25 C ATOM 1773 O LEU A 113 -13.607 4.261 21.444 1.00 50.24 O ATOM 1774 CB LEU A 113 -13.793 4.983 18.142 1.00 24.32 C ATOM 1775 CG LEU A 113 -12.532 5.882 18.196 1.00 3.11 C ATOM 1776 CD1 LEU A 113 -12.833 7.291 17.646 1.00 13.40 C ATOM 1777 CD2 LEU A 113 -11.665 5.896 19.455 1.00 13.12 C ATOM 0 H LEU A 113 -15.546 3.428 17.751 1.00 51.25 H new ATOM 0 HA LEU A 113 -13.153 3.252 19.295 1.00 33.34 H new ATOM 0 HB2 LEU A 113 -13.809 4.533 17.149 1.00 24.32 H new ATOM 0 HB3 LEU A 113 -14.652 5.652 18.203 1.00 24.32 H new ATOM 0 HG LEU A 113 -11.850 5.353 17.529 1.00 3.11 H new ATOM 0 HD11 LEU A 113 -11.931 7.901 17.695 1.00 13.40 H new ATOM 0 HD12 LEU A 113 -13.163 7.214 16.610 1.00 13.40 H new ATOM 0 HD13 LEU A 113 -13.618 7.755 18.243 1.00 13.40 H new ATOM 0 HD21 LEU A 113 -10.828 6.580 19.313 1.00 13.12 H new ATOM 0 HD22 LEU A 113 -12.263 6.225 20.305 1.00 13.12 H new ATOM 0 HD23 LEU A 113 -11.285 4.893 19.646 1.00 13.12 H new ATOM 1789 N ASN A 114 -15.656 4.857 20.688 1.00 43.44 N ATOM 1790 CA ASN A 114 -16.171 5.352 21.960 1.00 31.33 C ATOM 1791 C ASN A 114 -16.192 4.219 22.967 1.00 54.21 C ATOM 1792 O ASN A 114 -15.816 4.388 24.126 1.00 61.05 O ATOM 1793 CB ASN A 114 -17.622 5.901 21.911 1.00 15.25 C ATOM 1794 CG ASN A 114 -17.731 7.197 21.111 1.00 54.22 C ATOM 1795 OD1 ASN A 114 -16.775 7.941 20.893 1.00 51.24 O ATOM 1796 ND2 ASN A 114 -18.982 7.478 20.656 1.00 61.35 N ATOM 0 H ASN A 114 -16.334 4.919 19.928 1.00 43.44 H new ATOM 0 HA ASN A 114 -15.505 6.172 22.228 1.00 31.33 H new ATOM 0 HB2 ASN A 114 -18.277 5.149 21.470 1.00 15.25 H new ATOM 0 HB3 ASN A 114 -17.976 6.074 22.927 1.00 15.25 H new ATOM 0 HD21 ASN A 114 -19.150 8.327 20.116 1.00 61.35 H new ATOM 0 HD22 ASN A 114 -19.752 6.840 20.855 1.00 61.35 H new ATOM 1803 N LEU A 115 -16.608 3.006 22.529 1.00 54.20 N ATOM 1804 CA LEU A 115 -16.562 1.819 23.350 1.00 32.13 C ATOM 1805 C LEU A 115 -15.166 1.446 23.733 1.00 62.31 C ATOM 1806 O LEU A 115 -14.889 1.164 24.891 1.00 31.24 O ATOM 1807 CB LEU A 115 -17.175 0.608 22.624 1.00 11.22 C ATOM 1808 CG LEU A 115 -17.159 -0.710 23.419 1.00 54.43 C ATOM 1809 CD1 LEU A 115 -15.869 -1.530 23.320 1.00 11.13 C ATOM 1810 CD2 LEU A 115 -17.689 -0.544 24.836 1.00 53.35 C ATOM 0 H LEU A 115 -16.981 2.846 21.593 1.00 54.20 H new ATOM 0 HA LEU A 115 -17.136 2.063 24.244 1.00 32.13 H new ATOM 0 HB2 LEU A 115 -18.207 0.844 22.364 1.00 11.22 H new ATOM 0 HB3 LEU A 115 -16.638 0.456 21.688 1.00 11.22 H new ATOM 0 HG LEU A 115 -17.875 -1.347 22.900 1.00 54.43 H new ATOM 0 HD11 LEU A 115 -15.967 -2.436 23.917 1.00 11.13 H new ATOM 0 HD12 LEU A 115 -15.688 -1.799 22.279 1.00 11.13 H new ATOM 0 HD13 LEU A 115 -15.033 -0.939 23.693 1.00 11.13 H new ATOM 0 HD21 LEU A 115 -17.655 -1.504 25.352 1.00 53.35 H new ATOM 0 HD22 LEU A 115 -17.073 0.178 25.372 1.00 53.35 H new ATOM 0 HD23 LEU A 115 -18.718 -0.187 24.800 1.00 53.35 H new ATOM 1822 N ALA A 116 -14.251 1.444 22.754 1.00 14.33 N ATOM 1823 CA ALA A 116 -12.882 0.999 22.906 1.00 30.50 C ATOM 1824 C ALA A 116 -12.139 1.868 23.887 1.00 24.23 C ATOM 1825 O ALA A 116 -11.400 1.382 24.743 1.00 33.13 O ATOM 1826 CB ALA A 116 -12.135 0.998 21.559 1.00 53.12 C ATOM 0 H ALA A 116 -14.462 1.765 21.809 1.00 14.33 H new ATOM 0 HA ALA A 116 -12.919 -0.022 23.285 1.00 30.50 H new ATOM 0 HB1 ALA A 116 -11.110 0.658 21.711 1.00 53.12 H new ATOM 0 HB2 ALA A 116 -12.640 0.328 20.863 1.00 53.12 H new ATOM 0 HB3 ALA A 116 -12.125 2.007 21.148 1.00 53.12 H new ATOM 1832 N MET A 117 -12.356 3.200 23.791 1.00 15.02 N ATOM 1833 CA MET A 117 -11.765 4.144 24.700 1.00 22.11 C ATOM 1834 C MET A 117 -12.415 4.057 26.090 1.00 1.41 C ATOM 1835 O MET A 117 -11.733 4.289 27.083 1.00 25.45 O ATOM 1836 CB MET A 117 -11.768 5.571 24.056 1.00 22.23 C ATOM 1837 CG MET A 117 -13.121 6.295 24.014 1.00 10.23 C ATOM 1838 SD MET A 117 -13.103 7.900 23.149 1.00 40.34 S ATOM 1839 CE MET A 117 -12.035 8.810 24.303 1.00 63.53 C ATOM 0 H MET A 117 -12.947 3.625 23.076 1.00 15.02 H new ATOM 0 HA MET A 117 -10.718 3.896 24.874 1.00 22.11 H new ATOM 0 HB2 MET A 117 -11.063 6.195 24.604 1.00 22.23 H new ATOM 0 HB3 MET A 117 -11.393 5.487 23.036 1.00 22.23 H new ATOM 0 HG2 MET A 117 -13.850 5.645 23.530 1.00 10.23 H new ATOM 0 HG3 MET A 117 -13.465 6.453 25.036 1.00 10.23 H new ATOM 0 HE1 MET A 117 -12.125 9.880 24.115 1.00 63.53 H new ATOM 0 HE2 MET A 117 -12.339 8.595 25.327 1.00 63.53 H new ATOM 0 HE3 MET A 117 -10.999 8.502 24.160 1.00 63.53 H new ATOM 1849 N CYS A 118 -13.720 3.660 26.216 1.00 71.42 N ATOM 1850 CA CYS A 118 -14.327 3.271 27.504 1.00 71.21 C ATOM 1851 C CYS A 118 -13.801 1.949 28.055 1.00 33.31 C ATOM 1852 O CYS A 118 -13.426 1.858 29.223 1.00 53.21 O ATOM 1853 CB CYS A 118 -15.883 3.189 27.432 1.00 13.53 C ATOM 1854 SG CYS A 118 -16.761 2.790 29.002 1.00 71.55 S ATOM 0 H CYS A 118 -14.364 3.605 25.427 1.00 71.42 H new ATOM 0 HA CYS A 118 -14.032 4.070 28.184 1.00 71.21 H new ATOM 0 HB2 CYS A 118 -16.258 4.144 27.065 1.00 13.53 H new ATOM 0 HB3 CYS A 118 -16.151 2.436 26.691 1.00 13.53 H new ATOM 1859 N PHE A 119 -13.709 0.887 27.220 1.00 35.41 N ATOM 1860 CA PHE A 119 -13.115 -0.388 27.588 1.00 74.44 C ATOM 1861 C PHE A 119 -11.699 -0.307 28.110 1.00 13.01 C ATOM 1862 O PHE A 119 -11.381 -0.855 29.168 1.00 41.20 O ATOM 1863 CB PHE A 119 -13.148 -1.295 26.333 1.00 62.05 C ATOM 1864 CG PHE A 119 -12.421 -2.614 26.468 1.00 64.34 C ATOM 1865 CD1 PHE A 119 -11.080 -2.671 26.037 1.00 34.41 C ATOM 1866 CD2 PHE A 119 -12.990 -3.745 27.069 1.00 25.44 C ATOM 1867 CE1 PHE A 119 -10.315 -3.824 26.225 1.00 75.11 C ATOM 1868 CE2 PHE A 119 -12.221 -4.900 27.261 1.00 30.31 C ATOM 1869 CZ PHE A 119 -10.885 -4.938 26.846 1.00 70.43 C ATOM 0 H PHE A 119 -14.055 0.908 26.261 1.00 35.41 H new ATOM 0 HA PHE A 119 -13.700 -0.786 28.417 1.00 74.44 H new ATOM 0 HB2 PHE A 119 -14.188 -1.497 26.079 1.00 62.05 H new ATOM 0 HB3 PHE A 119 -12.716 -0.745 25.497 1.00 62.05 H new ATOM 0 HD1 PHE A 119 -10.638 -1.811 25.555 1.00 34.41 H new ATOM 0 HD2 PHE A 119 -14.023 -3.726 27.385 1.00 25.44 H new ATOM 0 HE1 PHE A 119 -9.288 -3.854 25.892 1.00 75.11 H new ATOM 0 HE2 PHE A 119 -12.662 -5.766 27.732 1.00 30.31 H new ATOM 0 HZ PHE A 119 -10.295 -5.828 27.006 1.00 70.43 H new ATOM 1879 N LYS A 120 -10.819 0.417 27.394 1.00 40.32 N ATOM 1880 CA LYS A 120 -9.461 0.639 27.797 1.00 31.14 C ATOM 1881 C LYS A 120 -9.365 1.421 29.089 1.00 40.03 C ATOM 1882 O LYS A 120 -8.442 1.244 29.882 1.00 43.22 O ATOM 1883 CB LYS A 120 -8.716 1.328 26.627 1.00 34.23 C ATOM 1884 CG LYS A 120 -7.245 1.703 26.861 1.00 44.10 C ATOM 1885 CD LYS A 120 -6.301 0.538 27.199 1.00 11.21 C ATOM 1886 CE LYS A 120 -4.834 0.969 27.244 1.00 11.12 C ATOM 1887 NZ LYS A 120 -3.985 -0.170 27.644 1.00 1.03 N ATOM 0 H LYS A 120 -11.058 0.862 26.508 1.00 40.32 H new ATOM 0 HA LYS A 120 -8.984 -0.317 28.013 1.00 31.14 H new ATOM 0 HB2 LYS A 120 -8.764 0.669 25.760 1.00 34.23 H new ATOM 0 HB3 LYS A 120 -9.260 2.236 26.367 1.00 34.23 H new ATOM 0 HG2 LYS A 120 -6.870 2.201 25.967 1.00 44.10 H new ATOM 0 HG3 LYS A 120 -7.200 2.429 27.673 1.00 44.10 H new ATOM 0 HD2 LYS A 120 -6.582 0.115 28.163 1.00 11.21 H new ATOM 0 HD3 LYS A 120 -6.422 -0.251 26.457 1.00 11.21 H new ATOM 0 HE2 LYS A 120 -4.525 1.338 26.266 1.00 11.12 H new ATOM 0 HE3 LYS A 120 -4.709 1.791 27.949 1.00 11.12 H new ATOM 0 HZ1 LYS A 120 -2.990 0.132 27.672 1.00 1.03 H new ATOM 0 HZ2 LYS A 120 -4.272 -0.503 28.586 1.00 1.03 H new ATOM 0 HZ3 LYS A 120 -4.093 -0.942 26.956 1.00 1.03 H new ATOM 1901 N ALA A 121 -10.366 2.290 29.341 1.00 14.33 N ATOM 1902 CA ALA A 121 -10.438 3.095 30.547 1.00 34.33 C ATOM 1903 C ALA A 121 -10.545 2.236 31.800 1.00 1.02 C ATOM 1904 O ALA A 121 -9.899 2.471 32.818 1.00 12.12 O ATOM 1905 CB ALA A 121 -11.650 4.046 30.479 1.00 31.52 C ATOM 0 H ALA A 121 -11.145 2.443 28.700 1.00 14.33 H new ATOM 0 HA ALA A 121 -9.514 3.670 30.607 1.00 34.33 H new ATOM 0 HB1 ALA A 121 -11.694 4.645 31.389 1.00 31.52 H new ATOM 0 HB2 ALA A 121 -11.548 4.704 29.616 1.00 31.52 H new ATOM 0 HB3 ALA A 121 -12.566 3.462 30.384 1.00 31.52 H new ATOM 1911 N GLU A 122 -11.388 1.189 31.725 1.00 31.24 N ATOM 1912 CA GLU A 122 -11.574 0.208 32.763 1.00 0.13 C ATOM 1913 C GLU A 122 -10.368 -0.707 33.001 1.00 25.00 C ATOM 1914 O GLU A 122 -9.949 -0.855 34.140 1.00 2.52 O ATOM 1915 CB GLU A 122 -12.864 -0.574 32.426 1.00 74.35 C ATOM 1916 CG GLU A 122 -14.159 0.284 32.534 1.00 71.24 C ATOM 1917 CD GLU A 122 -14.455 0.791 33.947 1.00 3.12 C ATOM 1918 OE1 GLU A 122 -14.443 2.035 34.138 1.00 24.05 O ATOM 1919 OE2 GLU A 122 -14.715 -0.057 34.840 1.00 75.11 O ATOM 0 H GLU A 122 -11.969 1.014 30.905 1.00 31.24 H new ATOM 0 HA GLU A 122 -11.673 0.723 33.719 1.00 0.13 H new ATOM 0 HB2 GLU A 122 -12.784 -0.971 31.414 1.00 74.35 H new ATOM 0 HB3 GLU A 122 -12.947 -1.428 33.098 1.00 74.35 H new ATOM 0 HG2 GLU A 122 -14.073 1.139 31.863 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -15.005 -0.309 32.187 1.00 71.24 H new ATOM 1926 N ILE A 123 -9.694 -1.292 31.979 1.00 62.32 N ATOM 1927 CA ILE A 123 -8.459 -2.041 32.166 1.00 42.25 C ATOM 1928 C ILE A 123 -7.256 -1.221 32.590 1.00 5.44 C ATOM 1929 O ILE A 123 -6.319 -1.763 33.168 1.00 62.45 O ATOM 1930 CB ILE A 123 -8.135 -2.908 30.961 1.00 40.31 C ATOM 1931 CG1 ILE A 123 -7.935 -2.060 29.702 1.00 1.21 C ATOM 1932 CG2 ILE A 123 -9.262 -3.936 30.739 1.00 14.51 C ATOM 1933 CD1 ILE A 123 -7.509 -2.813 28.446 1.00 22.20 C ATOM 0 H ILE A 123 -10.004 -1.249 31.008 1.00 62.32 H new ATOM 0 HA ILE A 123 -8.670 -2.685 33.020 1.00 42.25 H new ATOM 0 HB ILE A 123 -7.201 -3.433 31.160 1.00 40.31 H new ATOM 0 HG12 ILE A 123 -8.867 -1.537 29.489 1.00 1.21 H new ATOM 0 HG13 ILE A 123 -7.185 -1.299 29.917 1.00 1.21 H new ATOM 0 HG21 ILE A 123 -9.025 -4.555 29.874 1.00 14.51 H new ATOM 0 HG22 ILE A 123 -9.357 -4.568 31.622 1.00 14.51 H new ATOM 0 HG23 ILE A 123 -10.202 -3.413 30.564 1.00 14.51 H new ATOM 0 HD11 ILE A 123 -7.399 -2.110 27.620 1.00 22.20 H new ATOM 0 HD12 ILE A 123 -6.557 -3.313 28.627 1.00 22.20 H new ATOM 0 HD13 ILE A 123 -8.266 -3.555 28.192 1.00 22.20 H new ATOM 1945 N HIS A 124 -7.271 0.114 32.371 1.00 61.12 N ATOM 1946 CA HIS A 124 -6.312 1.046 32.943 1.00 54.31 C ATOM 1947 C HIS A 124 -6.384 1.058 34.469 1.00 44.41 C ATOM 1948 O HIS A 124 -5.364 1.132 35.148 1.00 34.33 O ATOM 1949 CB HIS A 124 -6.533 2.483 32.398 1.00 22.32 C ATOM 1950 CG HIS A 124 -5.525 3.498 32.859 1.00 3.43 C ATOM 1951 ND1 HIS A 124 -4.225 3.475 32.440 1.00 30.11 N ATOM 1952 CD2 HIS A 124 -5.651 4.553 33.694 1.00 22.43 C ATOM 1953 CE1 HIS A 124 -3.579 4.480 33.002 1.00 55.40 C ATOM 1954 NE2 HIS A 124 -4.422 5.150 33.767 1.00 42.22 N ATOM 0 H HIS A 124 -7.968 0.567 31.780 1.00 61.12 H new ATOM 0 HA HIS A 124 -5.321 0.704 32.646 1.00 54.31 H new ATOM 0 HB2 HIS A 124 -6.520 2.448 31.309 1.00 22.32 H new ATOM 0 HB3 HIS A 124 -7.527 2.819 32.694 1.00 22.32 H new ATOM 0 HD2 HIS A 124 -6.549 4.865 34.206 1.00 22.43 H new ATOM 0 HE1 HIS A 124 -2.535 4.715 32.860 1.00 55.40 H new ATOM 0 HE2 HIS A 124 -4.194 5.976 34.321 1.00 42.22 H new ATOM 1963 N LYS A 125 -7.615 1.003 35.040 1.00 32.40 N ATOM 1964 CA LYS A 125 -7.849 1.075 36.478 1.00 3.33 C ATOM 1965 C LYS A 125 -7.408 -0.183 37.232 1.00 72.20 C ATOM 1966 O LYS A 125 -7.081 -0.139 38.417 1.00 12.13 O ATOM 1967 CB LYS A 125 -9.349 1.394 36.778 1.00 31.25 C ATOM 1968 CG LYS A 125 -10.282 0.222 37.152 1.00 33.10 C ATOM 1969 CD LYS A 125 -11.761 0.626 37.269 1.00 70.05 C ATOM 1970 CE LYS A 125 -12.642 -0.539 37.719 1.00 12.23 C ATOM 1971 NZ LYS A 125 -14.063 -0.144 37.675 1.00 31.04 N ATOM 0 H LYS A 125 -8.472 0.906 34.496 1.00 32.40 H new ATOM 0 HA LYS A 125 -7.224 1.889 36.846 1.00 3.33 H new ATOM 0 HB2 LYS A 125 -9.379 2.117 37.593 1.00 31.25 H new ATOM 0 HB3 LYS A 125 -9.767 1.886 35.900 1.00 31.25 H new ATOM 0 HG2 LYS A 125 -10.186 -0.562 36.400 1.00 33.10 H new ATOM 0 HG3 LYS A 125 -9.954 -0.204 38.100 1.00 33.10 H new ATOM 0 HD2 LYS A 125 -11.857 1.447 37.979 1.00 70.05 H new ATOM 0 HD3 LYS A 125 -12.113 0.995 36.305 1.00 70.05 H new ATOM 0 HE2 LYS A 125 -12.476 -1.402 37.074 1.00 12.23 H new ATOM 0 HE3 LYS A 125 -12.371 -0.841 38.731 1.00 12.23 H new ATOM 0 HZ1 LYS A 125 -14.635 -0.849 38.183 1.00 31.04 H new ATOM 0 HZ2 LYS A 125 -14.179 0.786 38.126 1.00 31.04 H new ATOM 0 HZ3 LYS A 125 -14.378 -0.091 36.685 1.00 31.04 H new ATOM 1985 N LEU A 126 -7.440 -1.345 36.542 1.00 31.04 N ATOM 1986 CA LEU A 126 -7.227 -2.681 37.072 1.00 63.05 C ATOM 1987 C LEU A 126 -5.809 -2.986 37.528 1.00 34.34 C ATOM 1988 O LEU A 126 -4.817 -2.430 37.067 1.00 50.12 O ATOM 1989 CB LEU A 126 -7.671 -3.761 36.046 1.00 51.41 C ATOM 1990 CG LEU A 126 -9.192 -3.752 35.765 1.00 55.04 C ATOM 1991 CD1 LEU A 126 -9.552 -4.498 34.473 1.00 2.35 C ATOM 1992 CD2 LEU A 126 -10.004 -4.323 36.937 1.00 35.21 C ATOM 0 H LEU A 126 -7.628 -1.359 35.540 1.00 31.04 H new ATOM 0 HA LEU A 126 -7.846 -2.711 37.969 1.00 63.05 H new ATOM 0 HB2 LEU A 126 -7.135 -3.604 35.110 1.00 51.41 H new ATOM 0 HB3 LEU A 126 -7.383 -4.745 36.417 1.00 51.41 H new ATOM 0 HG LEU A 126 -9.459 -2.703 35.640 1.00 55.04 H new ATOM 0 HD11 LEU A 126 -10.631 -4.463 34.321 1.00 2.35 H new ATOM 0 HD12 LEU A 126 -9.051 -4.025 33.628 1.00 2.35 H new ATOM 0 HD13 LEU A 126 -9.230 -5.537 34.551 1.00 2.35 H new ATOM 0 HD21 LEU A 126 -11.066 -4.295 36.692 1.00 35.21 H new ATOM 0 HD22 LEU A 126 -9.701 -5.354 37.122 1.00 35.21 H new ATOM 0 HD23 LEU A 126 -9.822 -3.726 37.831 1.00 35.21 H new ATOM 2004 N ASP A 127 -5.707 -3.926 38.495 1.00 45.13 N ATOM 2005 CA ASP A 127 -4.469 -4.331 39.134 1.00 60.33 C ATOM 2006 C ASP A 127 -3.738 -5.413 38.331 1.00 14.14 C ATOM 2007 O ASP A 127 -2.665 -5.863 38.726 1.00 33.11 O ATOM 2008 CB ASP A 127 -4.800 -4.801 40.583 1.00 64.15 C ATOM 2009 CG ASP A 127 -3.566 -5.012 41.462 1.00 33.51 C ATOM 2010 OD1 ASP A 127 -3.400 -6.150 41.974 1.00 72.34 O ATOM 2011 OD2 ASP A 127 -2.813 -4.024 41.659 1.00 3.03 O ATOM 0 H ASP A 127 -6.519 -4.430 38.852 1.00 45.13 H new ATOM 0 HA ASP A 127 -3.784 -3.484 39.174 1.00 60.33 H new ATOM 0 HB2 ASP A 127 -5.448 -4.063 41.055 1.00 64.15 H new ATOM 0 HB3 ASP A 127 -5.362 -5.733 40.533 1.00 64.15 H new ATOM 2016 N TRP A 128 -4.299 -5.850 37.185 1.00 62.13 N ATOM 2017 CA TRP A 128 -3.675 -6.818 36.302 1.00 41.32 C ATOM 2018 C TRP A 128 -3.739 -6.240 34.904 1.00 14.34 C ATOM 2019 O TRP A 128 -4.604 -5.415 34.611 1.00 44.22 O ATOM 2020 CB TRP A 128 -4.372 -8.216 36.330 1.00 22.21 C ATOM 2021 CG TRP A 128 -5.806 -8.198 35.836 1.00 2.21 C ATOM 2022 CD1 TRP A 128 -6.877 -7.632 36.457 1.00 72.10 C ATOM 2023 CD2 TRP A 128 -6.264 -8.635 34.542 1.00 71.12 C ATOM 2024 NE1 TRP A 128 -7.963 -7.621 35.614 1.00 31.12 N ATOM 2025 CE2 TRP A 128 -7.611 -8.235 34.433 1.00 32.22 C ATOM 2026 CE3 TRP A 128 -5.621 -9.295 33.497 1.00 11.14 C ATOM 2027 CZ2 TRP A 128 -8.338 -8.476 33.275 1.00 61.52 C ATOM 2028 CZ3 TRP A 128 -6.363 -9.563 32.337 1.00 2.21 C ATOM 2029 CH2 TRP A 128 -7.698 -9.146 32.220 1.00 72.14 C ATOM 0 H TRP A 128 -5.209 -5.528 36.856 1.00 62.13 H new ATOM 0 HA TRP A 128 -2.651 -6.990 36.633 1.00 41.32 H new ATOM 0 HB2 TRP A 128 -3.796 -8.910 35.718 1.00 22.21 H new ATOM 0 HB3 TRP A 128 -4.354 -8.600 37.350 1.00 22.21 H new ATOM 0 HD1 TRP A 128 -6.874 -7.247 37.466 1.00 72.10 H new ATOM 0 HE1 TRP A 128 -8.878 -7.224 35.828 1.00 31.12 H new ATOM 0 HE3 TRP A 128 -4.585 -9.591 33.577 1.00 11.14 H new ATOM 0 HZ2 TRP A 128 -9.366 -8.157 33.188 1.00 61.52 H new ATOM 0 HZ3 TRP A 128 -5.900 -10.098 31.521 1.00 2.21 H new ATOM 0 HH2 TRP A 128 -8.240 -9.343 31.307 1.00 72.14 H new ATOM 2040 N ALA A 129 -2.821 -6.656 34.008 1.00 45.15 N ATOM 2041 CA ALA A 129 -2.802 -6.169 32.650 1.00 73.11 C ATOM 2042 C ALA A 129 -3.137 -7.278 31.659 1.00 0.15 C ATOM 2043 O ALA A 129 -2.391 -8.258 31.597 1.00 60.24 O ATOM 2044 CB ALA A 129 -1.421 -5.588 32.305 1.00 54.20 C ATOM 0 H ALA A 129 -2.087 -7.332 34.221 1.00 45.15 H new ATOM 0 HA ALA A 129 -3.558 -5.388 32.574 1.00 73.11 H new ATOM 0 HB1 ALA A 129 -1.425 -5.226 31.277 1.00 54.20 H new ATOM 0 HB2 ALA A 129 -1.195 -4.763 32.980 1.00 54.20 H new ATOM 0 HB3 ALA A 129 -0.663 -6.363 32.413 1.00 54.20 H new ATOM 2050 N PRO A 130 -4.197 -7.212 30.848 1.00 70.31 N ATOM 2051 CA PRO A 130 -4.268 -7.950 29.588 1.00 14.11 C ATOM 2052 C PRO A 130 -3.288 -7.338 28.599 1.00 12.04 C ATOM 2053 O PRO A 130 -2.989 -6.146 28.668 1.00 42.43 O ATOM 2054 CB PRO A 130 -5.724 -7.750 29.146 1.00 21.45 C ATOM 2055 CG PRO A 130 -6.117 -6.386 29.722 1.00 63.03 C ATOM 2056 CD PRO A 130 -5.349 -6.322 31.040 1.00 23.21 C ATOM 0 HA PRO A 130 -4.008 -9.006 29.666 1.00 14.11 H new ATOM 0 HB2 PRO A 130 -5.814 -7.763 28.060 1.00 21.45 H new ATOM 0 HB3 PRO A 130 -6.367 -8.542 29.529 1.00 21.45 H new ATOM 0 HG2 PRO A 130 -5.836 -5.572 29.054 1.00 63.03 H new ATOM 0 HG3 PRO A 130 -7.193 -6.312 29.880 1.00 63.03 H new ATOM 0 HD2 PRO A 130 -5.029 -5.304 31.262 1.00 23.21 H new ATOM 0 HD3 PRO A 130 -5.968 -6.651 31.875 1.00 23.21 H new ATOM 2064 N THR A 131 -2.762 -8.147 27.661 1.00 53.02 N ATOM 2065 CA THR A 131 -1.871 -7.686 26.611 1.00 15.33 C ATOM 2066 C THR A 131 -2.745 -7.264 25.448 1.00 14.33 C ATOM 2067 O THR A 131 -3.940 -7.560 25.416 1.00 12.23 O ATOM 2068 CB THR A 131 -0.846 -8.734 26.156 1.00 62.45 C ATOM 2069 OG1 THR A 131 -1.383 -9.809 25.391 1.00 53.34 O ATOM 2070 CG2 THR A 131 -0.257 -9.391 27.415 1.00 43.12 C ATOM 0 H THR A 131 -2.953 -9.148 27.621 1.00 53.02 H new ATOM 0 HA THR A 131 -1.274 -6.862 27.001 1.00 15.33 H new ATOM 0 HB THR A 131 -0.132 -8.196 25.532 1.00 62.45 H new ATOM 0 HG1 THR A 131 -0.663 -10.426 25.143 1.00 53.34 H new ATOM 0 HG21 THR A 131 0.477 -10.143 27.124 1.00 43.12 H new ATOM 0 HG22 THR A 131 0.226 -8.631 28.030 1.00 43.12 H new ATOM 0 HG23 THR A 131 -1.056 -9.866 27.985 1.00 43.12 H new ATOM 2078 N LEU A 132 -2.184 -6.584 24.424 1.00 73.10 N ATOM 2079 CA LEU A 132 -2.949 -6.169 23.261 1.00 21.14 C ATOM 2080 C LEU A 132 -3.504 -7.330 22.449 1.00 32.44 C ATOM 2081 O LEU A 132 -4.521 -7.179 21.787 1.00 63.14 O ATOM 2082 CB LEU A 132 -2.165 -5.209 22.321 1.00 32.12 C ATOM 2083 CG LEU A 132 -1.900 -3.782 22.877 1.00 34.34 C ATOM 2084 CD1 LEU A 132 -3.190 -3.086 23.352 1.00 75.45 C ATOM 2085 CD2 LEU A 132 -0.810 -3.708 23.962 1.00 14.41 C ATOM 0 H LEU A 132 -1.200 -6.317 24.394 1.00 73.10 H new ATOM 0 HA LEU A 132 -3.791 -5.623 23.687 1.00 21.14 H new ATOM 0 HB2 LEU A 132 -1.206 -5.669 22.082 1.00 32.12 H new ATOM 0 HB3 LEU A 132 -2.717 -5.117 21.385 1.00 32.12 H new ATOM 0 HG LEU A 132 -1.508 -3.235 22.020 1.00 34.34 H new ATOM 0 HD11 LEU A 132 -2.949 -2.093 23.731 1.00 75.45 H new ATOM 0 HD12 LEU A 132 -3.884 -2.997 22.516 1.00 75.45 H new ATOM 0 HD13 LEU A 132 -3.650 -3.675 24.145 1.00 75.45 H new ATOM 0 HD21 LEU A 132 -0.693 -2.675 24.291 1.00 14.41 H new ATOM 0 HD22 LEU A 132 -1.098 -4.328 24.810 1.00 14.41 H new ATOM 0 HD23 LEU A 132 0.135 -4.068 23.554 1.00 14.41 H new ATOM 2097 N ASP A 133 -2.897 -8.538 22.510 1.00 23.14 N ATOM 2098 CA ASP A 133 -3.459 -9.730 21.891 1.00 3.31 C ATOM 2099 C ASP A 133 -4.822 -10.100 22.484 1.00 21.34 C ATOM 2100 O ASP A 133 -5.738 -10.465 21.760 1.00 32.44 O ATOM 2101 CB ASP A 133 -2.511 -10.947 22.063 1.00 11.33 C ATOM 2102 CG ASP A 133 -1.228 -10.741 21.271 1.00 30.13 C ATOM 2103 OD1 ASP A 133 -0.151 -10.692 21.922 1.00 75.03 O ATOM 2104 OD2 ASP A 133 -1.310 -10.640 20.021 1.00 31.13 O ATOM 0 H ASP A 133 -2.011 -8.699 22.989 1.00 23.14 H new ATOM 0 HA ASP A 133 -3.581 -9.493 20.834 1.00 3.31 H new ATOM 0 HB2 ASP A 133 -2.275 -11.085 23.118 1.00 11.33 H new ATOM 0 HB3 ASP A 133 -3.011 -11.855 21.726 1.00 11.33 H new ATOM 2109 N VAL A 134 -4.971 -9.996 23.819 1.00 4.30 N ATOM 2110 CA VAL A 134 -6.111 -10.458 24.599 1.00 55.40 C ATOM 2111 C VAL A 134 -7.098 -9.364 24.918 1.00 11.25 C ATOM 2112 O VAL A 134 -8.302 -9.578 24.772 1.00 64.53 O ATOM 2113 CB VAL A 134 -5.714 -11.260 25.830 1.00 34.51 C ATOM 2114 CG1 VAL A 134 -4.497 -10.677 26.519 1.00 12.11 C ATOM 2115 CG2 VAL A 134 -6.873 -11.544 26.810 1.00 44.33 C ATOM 0 H VAL A 134 -4.256 -9.563 24.403 1.00 4.30 H new ATOM 0 HA VAL A 134 -6.636 -11.154 23.945 1.00 55.40 H new ATOM 0 HB VAL A 134 -5.433 -12.243 25.451 1.00 34.51 H new ATOM 0 HG11 VAL A 134 -4.249 -11.281 27.392 1.00 12.11 H new ATOM 0 HG12 VAL A 134 -3.654 -10.675 25.828 1.00 12.11 H new ATOM 0 HG13 VAL A 134 -4.711 -9.655 26.833 1.00 12.11 H new ATOM 0 HG21 VAL A 134 -6.500 -12.120 27.657 1.00 44.33 H new ATOM 0 HG22 VAL A 134 -7.287 -10.601 27.166 1.00 44.33 H new ATOM 0 HG23 VAL A 134 -7.651 -12.112 26.299 1.00 44.33 H new ATOM 2125 N ALA A 135 -6.645 -8.147 25.318 1.00 64.33 N ATOM 2126 CA ALA A 135 -7.551 -7.058 25.646 1.00 3.01 C ATOM 2127 C ALA A 135 -8.373 -6.613 24.461 1.00 44.34 C ATOM 2128 O ALA A 135 -9.596 -6.520 24.529 1.00 71.41 O ATOM 2129 CB ALA A 135 -6.797 -5.830 26.203 1.00 4.34 C ATOM 0 H ALA A 135 -5.657 -7.914 25.415 1.00 64.33 H new ATOM 0 HA ALA A 135 -8.217 -7.459 26.410 1.00 3.01 H new ATOM 0 HB1 ALA A 135 -7.511 -5.039 26.435 1.00 4.34 H new ATOM 0 HB2 ALA A 135 -6.261 -6.112 27.109 1.00 4.34 H new ATOM 0 HB3 ALA A 135 -6.087 -5.471 25.458 1.00 4.34 H new ATOM 2135 N VAL A 136 -7.712 -6.397 23.303 1.00 51.20 N ATOM 2136 CA VAL A 136 -8.421 -6.083 22.084 1.00 2.42 C ATOM 2137 C VAL A 136 -9.036 -7.331 21.534 1.00 0.05 C ATOM 2138 O VAL A 136 -10.088 -7.289 20.905 1.00 71.30 O ATOM 2139 CB VAL A 136 -7.588 -5.407 20.997 1.00 71.31 C ATOM 2140 CG1 VAL A 136 -6.532 -4.487 21.641 1.00 13.00 C ATOM 2141 CG2 VAL A 136 -7.035 -6.304 19.866 1.00 73.44 C ATOM 0 H VAL A 136 -6.697 -6.438 23.206 1.00 51.20 H new ATOM 0 HA VAL A 136 -9.175 -5.349 22.368 1.00 2.42 H new ATOM 0 HB VAL A 136 -8.295 -4.801 20.431 1.00 71.31 H new ATOM 0 HG11 VAL A 136 -5.942 -4.008 20.860 1.00 13.00 H new ATOM 0 HG12 VAL A 136 -7.030 -3.724 22.239 1.00 13.00 H new ATOM 0 HG13 VAL A 136 -5.876 -5.078 22.281 1.00 13.00 H new ATOM 0 HG21 VAL A 136 -6.464 -5.695 19.165 1.00 73.44 H new ATOM 0 HG22 VAL A 136 -6.387 -7.070 20.293 1.00 73.44 H new ATOM 0 HG23 VAL A 136 -7.863 -6.780 19.342 1.00 73.44 H new ATOM 2151 N GLY A 137 -8.371 -8.491 21.742 1.00 72.54 N ATOM 2152 CA GLY A 137 -8.818 -9.737 21.153 1.00 11.14 C ATOM 2153 C GLY A 137 -10.180 -10.168 21.606 1.00 65.11 C ATOM 2154 O GLY A 137 -10.981 -10.580 20.778 1.00 43.25 O ATOM 0 H GLY A 137 -7.530 -8.572 22.313 1.00 72.54 H new ATOM 0 HA2 GLY A 137 -8.822 -9.634 20.068 1.00 11.14 H new ATOM 0 HA3 GLY A 137 -8.100 -10.521 21.396 1.00 11.14 H new ATOM 2158 N GLU A 138 -10.510 -10.059 22.916 1.00 41.11 N ATOM 2159 CA GLU A 138 -11.856 -10.332 23.393 1.00 40.42 C ATOM 2160 C GLU A 138 -12.905 -9.372 22.853 1.00 62.51 C ATOM 2161 O GLU A 138 -14.013 -9.801 22.526 1.00 53.30 O ATOM 2162 CB GLU A 138 -11.959 -10.379 24.936 1.00 33.23 C ATOM 2163 CG GLU A 138 -11.047 -11.493 25.484 1.00 10.22 C ATOM 2164 CD GLU A 138 -11.508 -12.014 26.835 1.00 33.02 C ATOM 2165 OE1 GLU A 138 -10.807 -11.742 27.838 1.00 23.00 O ATOM 2166 OE2 GLU A 138 -12.519 -12.762 26.842 1.00 62.35 O ATOM 0 H GLU A 138 -9.853 -9.784 23.646 1.00 41.11 H new ATOM 0 HA GLU A 138 -12.070 -11.325 22.997 1.00 40.42 H new ATOM 0 HB2 GLU A 138 -11.669 -9.417 25.359 1.00 33.23 H new ATOM 0 HB3 GLU A 138 -12.991 -10.560 25.236 1.00 33.23 H new ATOM 0 HG2 GLU A 138 -11.018 -12.317 24.771 1.00 10.22 H new ATOM 0 HG3 GLU A 138 -10.029 -11.113 25.573 1.00 10.22 H new ATOM 2173 N LEU A 139 -12.576 -8.060 22.700 1.00 72.41 N ATOM 2174 CA LEU A 139 -13.444 -7.105 22.035 1.00 13.21 C ATOM 2175 C LEU A 139 -13.701 -7.447 20.620 1.00 24.01 C ATOM 2176 O LEU A 139 -14.844 -7.582 20.193 1.00 31.23 O ATOM 2177 CB LEU A 139 -12.805 -5.706 21.902 1.00 52.31 C ATOM 2178 CG LEU A 139 -12.796 -4.875 23.157 1.00 74.15 C ATOM 2179 CD1 LEU A 139 -11.902 -3.643 22.942 1.00 14.25 C ATOM 2180 CD2 LEU A 139 -14.239 -4.428 23.397 1.00 43.53 C ATOM 0 H LEU A 139 -11.702 -7.657 23.039 1.00 72.41 H new ATOM 0 HA LEU A 139 -14.337 -7.123 22.659 1.00 13.21 H new ATOM 0 HB2 LEU A 139 -11.777 -5.826 21.560 1.00 52.31 H new ATOM 0 HB3 LEU A 139 -13.337 -5.155 21.126 1.00 52.31 H new ATOM 0 HG LEU A 139 -12.413 -5.439 24.007 1.00 74.15 H new ATOM 0 HD11 LEU A 139 -11.892 -3.038 23.849 1.00 14.25 H new ATOM 0 HD12 LEU A 139 -10.887 -3.966 22.710 1.00 14.25 H new ATOM 0 HD13 LEU A 139 -12.292 -3.050 22.114 1.00 14.25 H new ATOM 0 HD21 LEU A 139 -14.286 -3.819 24.300 1.00 43.53 H new ATOM 0 HD22 LEU A 139 -14.585 -3.841 22.546 1.00 43.53 H new ATOM 0 HD23 LEU A 139 -14.876 -5.304 23.516 1.00 43.53 H new ATOM 2192 N LEU A 140 -12.607 -7.622 19.867 1.00 20.24 N ATOM 2193 CA LEU A 140 -12.724 -7.891 18.457 1.00 12.13 C ATOM 2194 C LEU A 140 -13.341 -9.249 18.175 1.00 0.24 C ATOM 2195 O LEU A 140 -14.162 -9.376 17.275 1.00 53.45 O ATOM 2196 CB LEU A 140 -11.367 -7.755 17.717 1.00 11.20 C ATOM 2197 CG LEU A 140 -10.763 -6.329 17.667 1.00 4.30 C ATOM 2198 CD1 LEU A 140 -9.455 -6.328 16.850 1.00 4.43 C ATOM 2199 CD2 LEU A 140 -11.701 -5.240 17.133 1.00 23.12 C ATOM 0 H LEU A 140 -11.651 -7.580 20.219 1.00 20.24 H new ATOM 0 HA LEU A 140 -13.399 -7.129 18.068 1.00 12.13 H new ATOM 0 HB2 LEU A 140 -10.646 -8.417 18.196 1.00 11.20 H new ATOM 0 HB3 LEU A 140 -11.496 -8.110 16.695 1.00 11.20 H new ATOM 0 HG LEU A 140 -10.574 -6.071 18.709 1.00 4.30 H new ATOM 0 HD11 LEU A 140 -9.043 -5.319 16.824 1.00 4.43 H new ATOM 0 HD12 LEU A 140 -8.735 -7.002 17.315 1.00 4.43 H new ATOM 0 HD13 LEU A 140 -9.661 -6.662 15.833 1.00 4.43 H new ATOM 0 HD21 LEU A 140 -11.184 -4.280 17.138 1.00 23.12 H new ATOM 0 HD22 LEU A 140 -12.000 -5.485 16.114 1.00 23.12 H new ATOM 0 HD23 LEU A 140 -12.586 -5.179 17.767 1.00 23.12 H new ATOM 2211 N ALA A 141 -13.009 -10.295 18.962 1.00 75.42 N ATOM 2212 CA ALA A 141 -13.646 -11.590 18.859 1.00 22.24 C ATOM 2213 C ALA A 141 -15.140 -11.558 19.117 1.00 34.42 C ATOM 2214 O ALA A 141 -15.897 -12.185 18.384 1.00 20.04 O ATOM 2215 CB ALA A 141 -13.023 -12.583 19.853 1.00 11.20 C ATOM 0 H ALA A 141 -12.288 -10.247 19.682 1.00 75.42 H new ATOM 0 HA ALA A 141 -13.484 -11.904 17.828 1.00 22.24 H new ATOM 0 HB1 ALA A 141 -13.517 -13.550 19.759 1.00 11.20 H new ATOM 0 HB2 ALA A 141 -11.960 -12.695 19.637 1.00 11.20 H new ATOM 0 HB3 ALA A 141 -13.149 -12.209 20.869 1.00 11.20 H new ATOM 2221 N ASP A 142 -15.613 -10.838 20.159 1.00 60.04 N ATOM 2222 CA ASP A 142 -17.029 -10.665 20.414 1.00 2.42 C ATOM 2223 C ASP A 142 -17.694 -9.791 19.342 1.00 45.01 C ATOM 2224 O ASP A 142 -18.844 -10.009 18.974 1.00 63.41 O ATOM 2225 CB ASP A 142 -17.220 -10.103 21.848 1.00 3.33 C ATOM 2226 CG ASP A 142 -18.666 -10.193 22.323 1.00 11.03 C ATOM 2227 OD1 ASP A 142 -19.245 -9.129 22.673 1.00 42.21 O ATOM 2228 OD2 ASP A 142 -19.191 -11.334 22.382 1.00 65.51 O ATOM 0 H ASP A 142 -15.011 -10.368 20.836 1.00 60.04 H new ATOM 0 HA ASP A 142 -17.530 -11.631 20.355 1.00 2.42 H new ATOM 0 HB2 ASP A 142 -16.579 -10.652 22.538 1.00 3.33 H new ATOM 0 HB3 ASP A 142 -16.897 -9.062 21.873 1.00 3.33 H new ATOM 2233 N THR A 143 -16.981 -8.758 18.840 1.00 73.34 N ATOM 2234 CA THR A 143 -17.497 -7.793 17.859 1.00 51.14 C ATOM 2235 C THR A 143 -17.938 -8.408 16.506 1.00 33.42 C ATOM 2236 O THR A 143 -17.071 -8.960 15.780 1.00 0.00 O ATOM 2237 CB THR A 143 -16.527 -6.655 17.556 1.00 31.24 C ATOM 2238 OG1 THR A 143 -16.287 -5.896 18.732 1.00 21.40 O ATOM 2239 CG2 THR A 143 -17.056 -5.674 16.490 1.00 34.35 C ATOM 2240 OXT THR A 143 -19.148 -8.278 16.172 1.00 0.00 O ATOM 0 H THR A 143 -16.016 -8.574 19.113 1.00 73.34 H new ATOM 0 HA THR A 143 -18.380 -7.406 18.367 1.00 51.14 H new ATOM 0 HB THR A 143 -15.621 -7.130 17.181 1.00 31.24 H new ATOM 0 HG1 THR A 143 -15.895 -6.474 19.420 1.00 21.40 H new ATOM 0 HG21 THR A 143 -16.319 -4.889 16.321 1.00 34.35 H new ATOM 0 HG22 THR A 143 -17.235 -6.211 15.558 1.00 34.35 H new ATOM 0 HG23 THR A 143 -17.988 -5.228 16.837 1.00 34.35 H new TER 2248 THR A 143