USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl 140:sc= -4.65! (180deg=-9.05!) USER MOD Set 1.2: A 84 THR OG1 : rot 54:sc= 0.196 USER MOD Single : A 11 CYS SG : rot 73:sc= -3.57! USER MOD Single : A 12 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-8.9!) USER MOD Single : A 13 ASN :FLIP amide:sc= -3.65! C(o=-8.4!,f=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -1.66 F(o=-2.9,f=-1.7) USER MOD Single : A 21 MET CE :methyl -161:sc= -4.47! (180deg=-6.89!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0885 (180deg=-0.0885) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 78 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.037) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0736) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -9.4! C(o=-9.4!,f=-12!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 88:sc= -1.36 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.82! C(o=-11!,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.772 7.492 -6.587 1.00 4.24 N ATOM 54 CA GLU A 5 1.794 7.472 -7.668 1.00 24.20 C ATOM 55 C GLU A 5 1.511 8.884 -8.172 1.00 14.14 C ATOM 56 O GLU A 5 2.392 9.743 -8.175 1.00 32.53 O ATOM 57 CB GLU A 5 0.495 6.815 -7.198 1.00 14.53 C ATOM 58 CG GLU A 5 0.707 5.701 -6.187 1.00 14.35 C ATOM 59 CD GLU A 5 1.106 4.391 -6.837 1.00 40.22 C ATOM 60 OE1 GLU A 5 2.193 4.341 -7.450 1.00 40.22 O ATOM 61 OE2 GLU A 5 0.332 3.417 -6.734 1.00 23.41 O ATOM 0 HA GLU A 5 2.210 6.889 -8.490 1.00 24.20 H new ATOM 0 HB2 GLU A 5 -0.148 7.576 -6.757 1.00 14.53 H new ATOM 0 HB3 GLU A 5 -0.033 6.413 -8.063 1.00 14.53 H new ATOM 0 HG2 GLU A 5 1.479 6.001 -5.479 1.00 14.35 H new ATOM 0 HG3 GLU A 5 -0.210 5.554 -5.616 1.00 14.35 H new ATOM 68 N GLY A 6 0.273 9.117 -8.598 1.00 33.33 N ATOM 69 CA GLY A 6 -0.106 10.425 -9.098 1.00 41.14 C ATOM 70 C GLY A 6 -0.391 11.412 -7.984 1.00 12.11 C ATOM 71 O GLY A 6 -1.017 12.449 -8.208 1.00 22.44 O ATOM 0 H GLY A 6 -0.474 8.423 -8.606 1.00 33.33 H new ATOM 0 HA2 GLY A 6 0.693 10.815 -9.729 1.00 41.14 H new ATOM 0 HA3 GLY A 6 -0.990 10.327 -9.728 1.00 41.14 H new ATOM 75 N VAL A 7 0.067 11.090 -6.778 1.00 71.14 N ATOM 76 CA VAL A 7 -0.143 11.956 -5.624 1.00 71.32 C ATOM 77 C VAL A 7 1.120 12.742 -5.290 1.00 32.42 C ATOM 78 O VAL A 7 2.167 12.546 -5.906 1.00 42.25 O ATOM 79 CB VAL A 7 -0.574 11.146 -4.386 1.00 43.45 C ATOM 80 CG1 VAL A 7 -1.412 9.946 -4.798 1.00 61.24 C ATOM 81 CG2 VAL A 7 0.644 10.708 -3.587 1.00 70.11 C ATOM 0 H VAL A 7 0.586 10.236 -6.575 1.00 71.14 H new ATOM 0 HA VAL A 7 -0.940 12.651 -5.890 1.00 71.32 H new ATOM 0 HB VAL A 7 -1.187 11.785 -3.750 1.00 43.45 H new ATOM 0 HG11 VAL A 7 -1.707 9.386 -3.910 1.00 61.24 H new ATOM 0 HG12 VAL A 7 -2.303 10.288 -5.324 1.00 61.24 H new ATOM 0 HG13 VAL A 7 -0.827 9.302 -5.455 1.00 61.24 H new ATOM 0 HG21 VAL A 7 0.322 10.137 -2.716 1.00 70.11 H new ATOM 0 HG22 VAL A 7 1.285 10.086 -4.212 1.00 70.11 H new ATOM 0 HG23 VAL A 7 1.200 11.587 -3.260 1.00 70.11 H new ATOM 91 N VAL A 8 1.014 13.632 -4.308 1.00 72.33 N ATOM 92 CA VAL A 8 2.148 14.447 -3.890 1.00 12.02 C ATOM 93 C VAL A 8 3.380 13.586 -3.635 1.00 73.34 C ATOM 94 O VAL A 8 3.556 13.045 -2.543 1.00 64.35 O ATOM 95 CB VAL A 8 1.823 15.248 -2.615 1.00 50.31 C ATOM 96 CG1 VAL A 8 0.656 16.192 -2.860 1.00 53.24 C ATOM 97 CG2 VAL A 8 1.525 14.308 -1.457 1.00 12.11 C ATOM 0 H VAL A 8 0.154 13.807 -3.787 1.00 72.33 H new ATOM 0 HA VAL A 8 2.356 15.141 -4.704 1.00 12.02 H new ATOM 0 HB VAL A 8 2.694 15.847 -2.352 1.00 50.31 H new ATOM 0 HG11 VAL A 8 0.441 16.749 -1.948 1.00 53.24 H new ATOM 0 HG12 VAL A 8 0.913 16.888 -3.659 1.00 53.24 H new ATOM 0 HG13 VAL A 8 -0.223 15.616 -3.149 1.00 53.24 H new ATOM 0 HG21 VAL A 8 1.298 14.891 -0.564 1.00 12.11 H new ATOM 0 HG22 VAL A 8 0.670 13.681 -1.708 1.00 12.11 H new ATOM 0 HG23 VAL A 8 2.394 13.678 -1.267 1.00 12.11 H new ATOM 107 N ILE A 9 4.229 13.463 -4.650 1.00 52.20 N ATOM 108 CA ILE A 9 5.446 12.669 -4.536 1.00 35.35 C ATOM 109 C ILE A 9 6.133 12.907 -3.195 1.00 63.45 C ATOM 110 O ILE A 9 5.803 13.848 -2.475 1.00 42.34 O ATOM 111 CB ILE A 9 6.435 12.988 -5.672 1.00 22.24 C ATOM 112 CG1 ILE A 9 5.739 12.878 -7.030 1.00 22.03 C ATOM 113 CG2 ILE A 9 7.634 12.053 -5.608 1.00 1.44 C ATOM 114 CD1 ILE A 9 5.085 11.535 -7.266 1.00 72.14 C ATOM 0 H ILE A 9 4.096 13.903 -5.561 1.00 52.20 H new ATOM 0 HA ILE A 9 5.149 11.623 -4.609 1.00 35.35 H new ATOM 0 HB ILE A 9 6.789 14.011 -5.549 1.00 22.24 H new ATOM 0 HG12 ILE A 9 4.983 13.660 -7.106 1.00 22.03 H new ATOM 0 HG13 ILE A 9 6.468 13.062 -7.819 1.00 22.03 H new ATOM 0 HG21 ILE A 9 8.324 12.291 -6.417 1.00 1.44 H new ATOM 0 HG22 ILE A 9 8.141 12.176 -4.651 1.00 1.44 H new ATOM 0 HG23 ILE A 9 7.297 11.021 -5.710 1.00 1.44 H new ATOM 0 HD11 ILE A 9 4.611 11.528 -8.248 1.00 72.14 H new ATOM 0 HD12 ILE A 9 5.840 10.750 -7.222 1.00 72.14 H new ATOM 0 HD13 ILE A 9 4.332 11.357 -6.498 1.00 72.14 H new ATOM 126 N ALA A 10 7.093 12.047 -2.868 1.00 53.12 N ATOM 127 CA ALA A 10 7.830 12.166 -1.617 1.00 23.24 C ATOM 128 C ALA A 10 9.326 11.972 -1.840 1.00 62.44 C ATOM 129 O ALA A 10 9.883 10.926 -1.503 1.00 43.21 O ATOM 130 CB ALA A 10 7.312 11.159 -0.601 1.00 35.12 C ATOM 0 H ALA A 10 7.378 11.261 -3.452 1.00 53.12 H new ATOM 0 HA ALA A 10 7.674 13.172 -1.227 1.00 23.24 H new ATOM 0 HB1 ALA A 10 7.872 11.259 0.329 1.00 35.12 H new ATOM 0 HB2 ALA A 10 6.255 11.345 -0.410 1.00 35.12 H new ATOM 0 HB3 ALA A 10 7.437 10.150 -0.993 1.00 35.12 H new ATOM 136 N CYS A 11 9.970 12.983 -2.411 1.00 43.40 N ATOM 137 CA CYS A 11 11.402 12.923 -2.681 1.00 65.03 C ATOM 138 C CYS A 11 12.198 12.838 -1.383 1.00 33.34 C ATOM 139 O CYS A 11 11.688 13.158 -0.308 1.00 63.31 O ATOM 140 CB CYS A 11 11.843 14.148 -3.484 1.00 22.11 C ATOM 141 SG CYS A 11 13.590 14.570 -3.287 1.00 64.22 S ATOM 0 H CYS A 11 9.523 13.855 -2.696 1.00 43.40 H new ATOM 0 HA CYS A 11 11.598 12.024 -3.266 1.00 65.03 H new ATOM 0 HB2 CYS A 11 11.640 13.969 -4.540 1.00 22.11 H new ATOM 0 HB3 CYS A 11 11.238 15.003 -3.184 1.00 22.11 H new ATOM 0 HG CYS A 11 14.320 13.702 -3.921 1.00 64.22 H new ATOM 147 N HIS A 12 13.449 12.402 -1.489 1.00 3.44 N ATOM 148 CA HIS A 12 14.315 12.274 -0.322 1.00 63.30 C ATOM 149 C HIS A 12 15.766 12.062 -0.743 1.00 44.43 C ATOM 150 O HIS A 12 16.518 11.349 -0.080 1.00 34.10 O ATOM 151 CB HIS A 12 13.853 11.111 0.557 1.00 52.20 C ATOM 152 CG HIS A 12 12.636 11.424 1.373 1.00 44.23 C ATOM 153 ND1 HIS A 12 12.678 12.173 2.530 1.00 64.11 N ATOM 154 CD2 HIS A 12 11.338 11.087 1.192 1.00 62.42 C ATOM 155 CE1 HIS A 12 11.459 12.281 3.026 1.00 20.25 C ATOM 156 NE2 HIS A 12 10.627 11.631 2.233 1.00 70.31 N ATOM 0 H HIS A 12 13.886 12.132 -2.370 1.00 3.44 H new ATOM 0 HA HIS A 12 14.252 13.200 0.250 1.00 63.30 H new ATOM 0 HB2 HIS A 12 13.644 10.249 -0.076 1.00 52.20 H new ATOM 0 HB3 HIS A 12 14.665 10.826 1.226 1.00 52.20 H new ATOM 0 HD1 HIS A 12 13.519 12.580 2.939 1.00 64.11 H new ATOM 0 HD2 HIS A 12 10.936 10.499 0.380 1.00 62.42 H new ATOM 0 HE1 HIS A 12 11.188 12.811 3.927 1.00 20.25 H new ATOM 164 N ASN A 13 16.153 12.687 -1.851 1.00 10.42 N ATOM 165 CA ASN A 13 17.514 12.566 -2.361 1.00 52.52 C ATOM 166 C ASN A 13 17.703 13.418 -3.613 1.00 0.33 C ATOM 167 O ASN A 13 18.565 13.136 -4.445 1.00 4.20 O ATOM 168 CB ASN A 13 17.836 11.104 -2.673 1.00 33.51 C ATOM 169 CG ASN A 13 17.624 10.764 -4.136 1.00 31.03 C ATOM 170 OD1 ASN A 13 16.555 11.295 -4.717 1.00 55.13 O flip ATOM 171 ND2 ASN A 13 18.413 10.033 -4.735 1.00 74.13 N flip ATOM 0 H ASN A 13 15.544 13.282 -2.412 1.00 10.42 H new ATOM 0 HA ASN A 13 18.197 12.925 -1.591 1.00 52.52 H new ATOM 0 HB2 ASN A 13 18.871 10.897 -2.401 1.00 33.51 H new ATOM 0 HB3 ASN A 13 17.209 10.458 -2.058 1.00 33.51 H new ATOM 0 HD21 ASN A 13 19.222 9.647 -4.247 1.00 74.13 H new ATOM 0 HD22 ASN A 13 18.258 9.813 -5.719 1.00 74.13 H new ATOM 178 N LYS A 14 16.891 14.463 -3.739 1.00 64.41 N ATOM 179 CA LYS A 14 16.969 15.358 -4.887 1.00 41.12 C ATOM 180 C LYS A 14 16.591 14.629 -6.173 1.00 22.05 C ATOM 181 O LYS A 14 15.552 14.906 -6.772 1.00 30.22 O ATOM 182 CB LYS A 14 18.380 15.938 -5.013 1.00 53.01 C ATOM 183 CG LYS A 14 18.749 16.337 -6.431 1.00 71.04 C ATOM 184 CD LYS A 14 19.660 17.553 -6.449 1.00 60.13 C ATOM 185 CE LYS A 14 18.946 18.792 -5.931 1.00 61.01 C ATOM 186 NZ LYS A 14 19.450 20.034 -6.580 1.00 13.33 N ATOM 0 H LYS A 14 16.171 14.710 -3.060 1.00 64.41 H new ATOM 0 HA LYS A 14 16.261 16.172 -4.730 1.00 41.12 H new ATOM 0 HB2 LYS A 14 18.464 16.811 -4.365 1.00 53.01 H new ATOM 0 HB3 LYS A 14 19.100 15.203 -4.652 1.00 53.01 H new ATOM 0 HG2 LYS A 14 19.245 15.503 -6.927 1.00 71.04 H new ATOM 0 HG3 LYS A 14 17.843 16.552 -6.997 1.00 71.04 H new ATOM 0 HD2 LYS A 14 20.541 17.358 -5.838 1.00 60.13 H new ATOM 0 HD3 LYS A 14 20.010 17.732 -7.466 1.00 60.13 H new ATOM 0 HE2 LYS A 14 17.875 18.696 -6.112 1.00 61.01 H new ATOM 0 HE3 LYS A 14 19.082 18.865 -4.852 1.00 61.01 H new ATOM 0 HZ1 LYS A 14 18.939 20.856 -6.200 1.00 13.33 H new ATOM 0 HZ2 LYS A 14 20.466 20.139 -6.387 1.00 13.33 H new ATOM 0 HZ3 LYS A 14 19.297 19.976 -7.607 1.00 13.33 H new ATOM 200 N ASP A 15 17.440 13.696 -6.589 1.00 40.14 N ATOM 201 CA ASP A 15 17.194 12.925 -7.803 1.00 15.15 C ATOM 202 C ASP A 15 15.697 12.792 -8.067 1.00 40.22 C ATOM 203 O ASP A 15 15.247 12.901 -9.207 1.00 42.33 O ATOM 204 CB ASP A 15 17.829 11.539 -7.689 1.00 61.41 C ATOM 205 CG ASP A 15 18.691 11.197 -8.888 1.00 44.24 C ATOM 206 OD1 ASP A 15 19.662 11.938 -9.152 1.00 31.00 O ATOM 207 OD2 ASP A 15 18.396 10.189 -9.563 1.00 24.32 O ATOM 0 H ASP A 15 18.304 13.455 -6.104 1.00 40.14 H new ATOM 0 HA ASP A 15 17.647 13.456 -8.640 1.00 15.15 H new ATOM 0 HB2 ASP A 15 18.435 11.494 -6.784 1.00 61.41 H new ATOM 0 HB3 ASP A 15 17.044 10.790 -7.584 1.00 61.41 H new ATOM 212 N GLU A 16 14.932 12.555 -7.006 1.00 42.10 N ATOM 213 CA GLU A 16 13.487 12.405 -7.125 1.00 54.43 C ATOM 214 C GLU A 16 12.803 13.768 -7.205 1.00 23.42 C ATOM 215 O GLU A 16 11.899 13.974 -8.014 1.00 13.50 O ATOM 216 CB GLU A 16 12.934 11.614 -5.938 1.00 71.12 C ATOM 217 CG GLU A 16 13.888 10.552 -5.418 1.00 33.32 C ATOM 218 CD GLU A 16 13.197 9.229 -5.150 1.00 22.45 C ATOM 219 OE1 GLU A 16 12.162 8.959 -5.794 1.00 62.14 O ATOM 220 OE2 GLU A 16 13.691 8.463 -4.295 1.00 41.44 O ATOM 0 H GLU A 16 15.289 12.463 -6.055 1.00 42.10 H new ATOM 0 HA GLU A 16 13.279 11.858 -8.045 1.00 54.43 H new ATOM 0 HB2 GLU A 16 12.698 12.306 -5.129 1.00 71.12 H new ATOM 0 HB3 GLU A 16 11.999 11.138 -6.233 1.00 71.12 H new ATOM 0 HG2 GLU A 16 14.687 10.400 -6.144 1.00 33.32 H new ATOM 0 HG3 GLU A 16 14.355 10.907 -4.499 1.00 33.32 H new ATOM 227 N PHE A 17 13.242 14.693 -6.359 1.00 3.43 N ATOM 228 CA PHE A 17 12.673 16.036 -6.331 1.00 71.42 C ATOM 229 C PHE A 17 12.651 16.646 -7.730 1.00 31.14 C ATOM 230 O PHE A 17 11.674 17.281 -8.126 1.00 52.30 O ATOM 231 CB PHE A 17 13.472 16.932 -5.384 1.00 2.54 C ATOM 232 CG PHE A 17 14.005 18.174 -6.040 1.00 12.00 C ATOM 233 CD1 PHE A 17 15.086 18.108 -6.904 1.00 22.34 C ATOM 234 CD2 PHE A 17 13.424 19.408 -5.793 1.00 22.41 C ATOM 235 CE1 PHE A 17 15.579 19.248 -7.510 1.00 14.34 C ATOM 236 CE2 PHE A 17 13.912 20.551 -6.396 1.00 51.43 C ATOM 237 CZ PHE A 17 14.991 20.472 -7.255 1.00 21.14 C ATOM 0 H PHE A 17 13.990 14.538 -5.683 1.00 3.43 H new ATOM 0 HA PHE A 17 11.647 15.962 -5.970 1.00 71.42 H new ATOM 0 HB2 PHE A 17 12.837 17.218 -4.545 1.00 2.54 H new ATOM 0 HB3 PHE A 17 14.305 16.362 -4.974 1.00 2.54 H new ATOM 0 HD1 PHE A 17 15.549 17.154 -7.106 1.00 22.34 H new ATOM 0 HD2 PHE A 17 12.581 19.477 -5.122 1.00 22.41 H new ATOM 0 HE1 PHE A 17 16.422 19.182 -8.182 1.00 14.34 H new ATOM 0 HE2 PHE A 17 13.450 21.506 -6.196 1.00 51.43 H new ATOM 0 HZ PHE A 17 15.374 21.365 -7.726 1.00 21.14 H new ATOM 247 N ASP A 18 13.735 16.449 -8.472 1.00 20.55 N ATOM 248 CA ASP A 18 13.841 16.978 -9.826 1.00 44.30 C ATOM 249 C ASP A 18 12.807 16.335 -10.744 1.00 70.41 C ATOM 250 O ASP A 18 12.123 17.021 -11.502 1.00 53.32 O ATOM 251 CB ASP A 18 15.248 16.744 -10.379 1.00 41.50 C ATOM 252 CG ASP A 18 15.973 18.041 -10.685 1.00 75.55 C ATOM 253 OD1 ASP A 18 15.500 19.105 -10.235 1.00 4.53 O ATOM 254 OD2 ASP A 18 17.012 17.990 -11.375 1.00 70.23 O ATOM 0 H ASP A 18 14.553 15.927 -8.158 1.00 20.55 H new ATOM 0 HA ASP A 18 13.648 18.050 -9.787 1.00 44.30 H new ATOM 0 HB2 ASP A 18 15.828 16.169 -9.657 1.00 41.50 H new ATOM 0 HB3 ASP A 18 15.183 16.144 -11.287 1.00 41.50 H new ATOM 259 N ALA A 19 12.700 15.012 -10.671 1.00 14.04 N ATOM 260 CA ALA A 19 11.749 14.276 -11.494 1.00 75.10 C ATOM 261 C ALA A 19 10.426 15.026 -11.608 1.00 74.31 C ATOM 262 O ALA A 19 9.683 14.848 -12.573 1.00 70.02 O ATOM 263 CB ALA A 19 11.521 12.885 -10.922 1.00 21.52 C ATOM 0 H ALA A 19 13.261 14.428 -10.050 1.00 14.04 H new ATOM 0 HA ALA A 19 12.170 14.181 -12.495 1.00 75.10 H new ATOM 0 HB1 ALA A 19 10.808 12.347 -11.547 1.00 21.52 H new ATOM 0 HB2 ALA A 19 12.466 12.342 -10.899 1.00 21.52 H new ATOM 0 HB3 ALA A 19 11.125 12.968 -9.910 1.00 21.52 H new ATOM 269 N GLN A 20 10.138 15.863 -10.617 1.00 31.02 N ATOM 270 CA GLN A 20 8.903 16.638 -10.607 1.00 1.44 C ATOM 271 C GLN A 20 9.155 18.070 -11.067 1.00 45.13 C ATOM 272 O GLN A 20 8.496 18.563 -11.981 1.00 53.55 O ATOM 273 CB GLN A 20 8.290 16.642 -9.205 1.00 73.43 C ATOM 274 CG GLN A 20 7.184 15.614 -9.023 1.00 10.52 C ATOM 275 CD GLN A 20 7.337 14.422 -9.947 1.00 14.33 C ATOM 276 OE1 GLN A 20 8.480 13.752 -9.864 1.00 40.33 O flip ATOM 277 NE2 GLN A 20 6.437 14.107 -10.726 1.00 73.43 N flip ATOM 0 H GLN A 20 10.743 16.022 -9.811 1.00 31.02 H new ATOM 0 HA GLN A 20 8.205 16.170 -11.301 1.00 1.44 H new ATOM 0 HB2 GLN A 20 9.075 16.452 -8.473 1.00 73.43 H new ATOM 0 HB3 GLN A 20 7.891 17.634 -8.994 1.00 73.43 H new ATOM 0 HG2 GLN A 20 7.180 15.269 -7.989 1.00 10.52 H new ATOM 0 HG3 GLN A 20 6.219 16.088 -9.204 1.00 10.52 H new ATOM 0 HE21 GLN A 20 5.575 14.651 -10.756 1.00 73.43 H new ATOM 0 HE22 GLN A 20 6.554 13.302 -11.341 1.00 73.43 H new ATOM 286 N MET A 21 10.114 18.732 -10.428 1.00 23.12 N ATOM 287 CA MET A 21 10.454 20.107 -10.773 1.00 40.43 C ATOM 288 C MET A 21 10.626 20.263 -12.281 1.00 31.30 C ATOM 289 O MET A 21 10.568 21.372 -12.812 1.00 45.23 O ATOM 290 CB MET A 21 11.736 20.534 -10.055 1.00 52.45 C ATOM 291 CG MET A 21 11.571 21.789 -9.213 1.00 44.11 C ATOM 292 SD MET A 21 11.215 21.423 -7.484 1.00 72.00 S ATOM 293 CE MET A 21 9.821 20.310 -7.654 1.00 4.41 C ATOM 0 H MET A 21 10.669 18.338 -9.668 1.00 23.12 H new ATOM 0 HA MET A 21 9.634 20.749 -10.450 1.00 40.43 H new ATOM 0 HB2 MET A 21 12.073 19.719 -9.415 1.00 52.45 H new ATOM 0 HB3 MET A 21 12.518 20.703 -10.795 1.00 52.45 H new ATOM 0 HG2 MET A 21 12.481 22.385 -9.274 1.00 44.11 H new ATOM 0 HG3 MET A 21 10.765 22.395 -9.626 1.00 44.11 H new ATOM 0 HE1 MET A 21 9.278 20.260 -6.710 1.00 4.41 H new ATOM 0 HE2 MET A 21 9.156 20.677 -8.436 1.00 4.41 H new ATOM 0 HE3 MET A 21 10.180 19.316 -7.920 1.00 4.41 H new ATOM 303 N THR A 22 10.837 19.143 -12.967 1.00 4.44 N ATOM 304 CA THR A 22 11.019 19.156 -14.413 1.00 21.45 C ATOM 305 C THR A 22 9.744 18.728 -15.131 1.00 22.05 C ATOM 306 O THR A 22 9.545 19.042 -16.304 1.00 52.21 O ATOM 307 CB THR A 22 12.172 18.229 -14.842 1.00 30.53 C ATOM 308 OG1 THR A 22 13.366 18.993 -15.044 1.00 72.11 O ATOM 309 CG2 THR A 22 11.819 17.482 -16.119 1.00 61.13 C ATOM 0 H THR A 22 10.886 18.216 -12.544 1.00 4.44 H new ATOM 0 HA THR A 22 11.263 20.181 -14.692 1.00 21.45 H new ATOM 0 HB THR A 22 12.338 17.501 -14.048 1.00 30.53 H new ATOM 0 HG1 THR A 22 14.094 18.396 -15.315 1.00 72.11 H new ATOM 0 HG21 THR A 22 12.648 16.834 -16.402 1.00 61.13 H new ATOM 0 HG22 THR A 22 10.927 16.878 -15.953 1.00 61.13 H new ATOM 0 HG23 THR A 22 11.629 18.198 -16.919 1.00 61.13 H new ATOM 317 N LYS A 23 8.882 18.010 -14.419 1.00 23.24 N ATOM 318 CA LYS A 23 7.624 17.540 -14.987 1.00 3.04 C ATOM 319 C LYS A 23 6.550 18.619 -14.895 1.00 74.41 C ATOM 320 O LYS A 23 5.358 18.317 -14.843 1.00 54.45 O ATOM 321 CB LYS A 23 7.155 16.275 -14.264 1.00 4.32 C ATOM 322 CG LYS A 23 7.520 14.991 -14.987 1.00 70.44 C ATOM 323 CD LYS A 23 7.484 13.794 -14.052 1.00 2.04 C ATOM 324 CE LYS A 23 8.591 12.801 -14.373 1.00 52.45 C ATOM 325 NZ LYS A 23 8.091 11.399 -14.389 1.00 75.12 N ATOM 0 H LYS A 23 9.032 17.741 -13.447 1.00 23.24 H new ATOM 0 HA LYS A 23 7.793 17.308 -16.039 1.00 3.04 H new ATOM 0 HB2 LYS A 23 7.590 16.256 -13.265 1.00 4.32 H new ATOM 0 HB3 LYS A 23 6.073 16.317 -14.140 1.00 4.32 H new ATOM 0 HG2 LYS A 23 6.828 14.829 -15.814 1.00 70.44 H new ATOM 0 HG3 LYS A 23 8.516 15.086 -15.419 1.00 70.44 H new ATOM 0 HD2 LYS A 23 7.586 14.133 -13.021 1.00 2.04 H new ATOM 0 HD3 LYS A 23 6.516 13.299 -14.130 1.00 2.04 H new ATOM 0 HE2 LYS A 23 9.025 13.043 -15.343 1.00 52.45 H new ATOM 0 HE3 LYS A 23 9.388 12.894 -13.635 1.00 52.45 H new ATOM 0 HZ1 LYS A 23 8.875 10.753 -14.611 1.00 75.12 H new ATOM 0 HZ2 LYS A 23 7.699 11.159 -13.456 1.00 75.12 H new ATOM 0 HZ3 LYS A 23 7.349 11.303 -15.111 1.00 75.12 H new ATOM 339 N ALA A 24 6.980 19.876 -14.877 1.00 14.01 N ATOM 340 CA ALA A 24 6.054 20.999 -14.795 1.00 72.15 C ATOM 341 C ALA A 24 6.393 22.066 -15.831 1.00 34.12 C ATOM 342 O ALA A 24 5.505 22.623 -16.477 1.00 11.43 O ATOM 343 CB ALA A 24 6.069 21.595 -13.396 1.00 2.13 C ATOM 0 H ALA A 24 7.964 20.142 -14.918 1.00 14.01 H new ATOM 0 HA ALA A 24 5.052 20.628 -15.008 1.00 72.15 H new ATOM 0 HB1 ALA A 24 5.373 22.432 -13.350 1.00 2.13 H new ATOM 0 HB2 ALA A 24 5.771 20.835 -12.674 1.00 2.13 H new ATOM 0 HB3 ALA A 24 7.074 21.945 -13.160 1.00 2.13 H new ATOM 349 N LYS A 25 7.682 22.347 -15.984 1.00 22.21 N ATOM 350 CA LYS A 25 8.140 23.347 -16.941 1.00 75.13 C ATOM 351 C LYS A 25 7.873 22.892 -18.373 1.00 21.14 C ATOM 352 O LYS A 25 7.483 23.690 -19.224 1.00 34.10 O ATOM 353 CB LYS A 25 9.633 23.619 -16.751 1.00 44.21 C ATOM 354 CG LYS A 25 10.497 22.375 -16.861 1.00 23.21 C ATOM 355 CD LYS A 25 11.549 22.328 -15.765 1.00 60.43 C ATOM 356 CE LYS A 25 12.386 23.598 -15.741 1.00 32.52 C ATOM 357 NZ LYS A 25 13.417 23.603 -16.815 1.00 53.24 N ATOM 0 H LYS A 25 8.429 21.896 -15.457 1.00 22.21 H new ATOM 0 HA LYS A 25 7.584 24.267 -16.761 1.00 75.13 H new ATOM 0 HB2 LYS A 25 9.959 24.345 -17.496 1.00 44.21 H new ATOM 0 HB3 LYS A 25 9.789 24.074 -15.773 1.00 44.21 H new ATOM 0 HG2 LYS A 25 9.868 21.487 -16.801 1.00 23.21 H new ATOM 0 HG3 LYS A 25 10.985 22.354 -17.836 1.00 23.21 H new ATOM 0 HD2 LYS A 25 11.063 22.193 -14.799 1.00 60.43 H new ATOM 0 HD3 LYS A 25 12.198 21.466 -15.919 1.00 60.43 H new ATOM 0 HE2 LYS A 25 11.735 24.464 -15.859 1.00 32.52 H new ATOM 0 HE3 LYS A 25 12.872 23.694 -14.770 1.00 32.52 H new ATOM 0 HZ1 LYS A 25 13.966 24.485 -16.765 1.00 53.24 H new ATOM 0 HZ2 LYS A 25 14.054 22.791 -16.688 1.00 53.24 H new ATOM 0 HZ3 LYS A 25 12.952 23.537 -17.743 1.00 53.24 H new ATOM 371 N GLU A 26 8.086 21.605 -18.629 1.00 34.10 N ATOM 372 CA GLU A 26 7.867 21.045 -19.958 1.00 2.24 C ATOM 373 C GLU A 26 6.390 20.733 -20.180 1.00 62.24 C ATOM 374 O GLU A 26 5.850 20.972 -21.260 1.00 2.31 O ATOM 375 CB GLU A 26 8.702 19.777 -20.144 1.00 70.54 C ATOM 376 CG GLU A 26 8.689 18.856 -18.935 1.00 44.25 C ATOM 377 CD GLU A 26 8.385 17.417 -19.301 1.00 71.54 C ATOM 378 OE1 GLU A 26 7.667 17.198 -20.300 1.00 11.03 O ATOM 379 OE2 GLU A 26 8.864 16.509 -18.590 1.00 72.10 O ATOM 0 H GLU A 26 8.409 20.931 -17.935 1.00 34.10 H new ATOM 0 HA GLU A 26 8.178 21.787 -20.694 1.00 2.24 H new ATOM 0 HB2 GLU A 26 8.329 19.231 -21.010 1.00 70.54 H new ATOM 0 HB3 GLU A 26 9.732 20.059 -20.364 1.00 70.54 H new ATOM 0 HG2 GLU A 26 9.657 18.903 -18.437 1.00 44.25 H new ATOM 0 HG3 GLU A 26 7.945 19.210 -18.221 1.00 44.25 H new ATOM 386 N ALA A 27 5.743 20.196 -19.151 1.00 63.20 N ATOM 387 CA ALA A 27 4.329 19.852 -19.233 1.00 23.31 C ATOM 388 C ALA A 27 3.463 21.104 -19.305 1.00 53.30 C ATOM 389 O ALA A 27 2.356 21.075 -19.842 1.00 2.40 O ATOM 390 CB ALA A 27 3.925 18.995 -18.042 1.00 53.51 C ATOM 0 H ALA A 27 6.176 19.990 -18.251 1.00 63.20 H new ATOM 0 HA ALA A 27 4.171 19.281 -20.148 1.00 23.31 H new ATOM 0 HB1 ALA A 27 2.867 18.745 -18.116 1.00 53.51 H new ATOM 0 HB2 ALA A 27 4.515 18.078 -18.037 1.00 53.51 H new ATOM 0 HB3 ALA A 27 4.104 19.547 -17.119 1.00 53.51 H new ATOM 396 N GLY A 28 3.973 22.204 -18.759 1.00 44.25 N ATOM 397 CA GLY A 28 3.232 23.452 -18.772 1.00 71.40 C ATOM 398 C GLY A 28 2.296 23.581 -17.587 1.00 54.41 C ATOM 399 O GLY A 28 1.207 24.144 -17.705 1.00 12.11 O ATOM 0 H GLY A 28 4.886 22.253 -18.308 1.00 44.25 H new ATOM 0 HA2 GLY A 28 3.932 24.287 -18.771 1.00 71.40 H new ATOM 0 HA3 GLY A 28 2.656 23.520 -19.695 1.00 71.40 H new ATOM 403 N LYS A 29 2.718 23.058 -16.441 1.00 40.31 N ATOM 404 CA LYS A 29 1.910 23.117 -15.229 1.00 2.22 C ATOM 405 C LYS A 29 2.697 23.741 -14.080 1.00 60.24 C ATOM 406 O LYS A 29 3.907 23.945 -14.182 1.00 72.33 O ATOM 407 CB LYS A 29 1.439 21.715 -14.836 1.00 64.03 C ATOM 408 CG LYS A 29 2.499 20.896 -14.120 1.00 62.22 C ATOM 409 CD LYS A 29 2.632 19.507 -14.723 1.00 0.24 C ATOM 410 CE LYS A 29 1.281 18.952 -15.146 1.00 32.31 C ATOM 411 NZ LYS A 29 1.198 17.479 -14.942 1.00 30.13 N ATOM 0 H LYS A 29 3.616 22.588 -16.326 1.00 40.31 H new ATOM 0 HA LYS A 29 1.040 23.742 -15.432 1.00 2.22 H new ATOM 0 HB2 LYS A 29 0.563 21.802 -14.193 1.00 64.03 H new ATOM 0 HB3 LYS A 29 1.124 21.182 -15.733 1.00 64.03 H new ATOM 0 HG2 LYS A 29 3.458 21.411 -14.176 1.00 62.22 H new ATOM 0 HG3 LYS A 29 2.243 20.812 -13.064 1.00 62.22 H new ATOM 0 HD2 LYS A 29 3.297 19.546 -15.586 1.00 0.24 H new ATOM 0 HD3 LYS A 29 3.091 18.836 -13.997 1.00 0.24 H new ATOM 0 HE2 LYS A 29 0.492 19.443 -14.576 1.00 32.31 H new ATOM 0 HE3 LYS A 29 1.106 19.184 -16.197 1.00 32.31 H new ATOM 0 HZ1 LYS A 29 0.262 17.139 -15.242 1.00 30.13 H new ATOM 0 HZ2 LYS A 29 1.934 17.008 -15.506 1.00 30.13 H new ATOM 0 HZ3 LYS A 29 1.339 17.259 -13.935 1.00 30.13 H new ATOM 425 N VAL A 30 2.003 24.040 -12.987 1.00 53.42 N ATOM 426 CA VAL A 30 2.637 24.638 -11.818 1.00 42.14 C ATOM 427 C VAL A 30 3.314 23.577 -10.958 1.00 2.32 C ATOM 428 O VAL A 30 3.021 22.387 -11.075 1.00 1.40 O ATOM 429 CB VAL A 30 1.617 25.407 -10.958 1.00 3.40 C ATOM 430 CG1 VAL A 30 1.765 25.033 -9.491 1.00 64.43 C ATOM 431 CG2 VAL A 30 1.780 26.907 -11.153 1.00 4.24 C ATOM 0 H VAL A 30 1.001 23.878 -12.886 1.00 53.42 H new ATOM 0 HA VAL A 30 3.388 25.336 -12.187 1.00 42.14 H new ATOM 0 HB VAL A 30 0.613 25.128 -11.280 1.00 3.40 H new ATOM 0 HG11 VAL A 30 1.036 25.586 -8.899 1.00 64.43 H new ATOM 0 HG12 VAL A 30 1.594 23.963 -9.369 1.00 64.43 H new ATOM 0 HG13 VAL A 30 2.771 25.281 -9.152 1.00 64.43 H new ATOM 0 HG21 VAL A 30 1.051 27.435 -10.538 1.00 4.24 H new ATOM 0 HG22 VAL A 30 2.787 27.205 -10.859 1.00 4.24 H new ATOM 0 HG23 VAL A 30 1.619 27.157 -12.202 1.00 4.24 H new ATOM 441 N VAL A 31 4.222 24.017 -10.092 1.00 31.43 N ATOM 442 CA VAL A 31 4.940 23.105 -9.209 1.00 43.21 C ATOM 443 C VAL A 31 4.615 23.386 -7.746 1.00 41.34 C ATOM 444 O VAL A 31 4.396 24.534 -7.358 1.00 44.23 O ATOM 445 CB VAL A 31 6.463 23.209 -9.414 1.00 43.31 C ATOM 446 CG1 VAL A 31 7.204 22.527 -8.274 1.00 13.21 C ATOM 447 CG2 VAL A 31 6.862 22.610 -10.754 1.00 62.31 C ATOM 0 H VAL A 31 4.478 24.998 -9.983 1.00 31.43 H new ATOM 0 HA VAL A 31 4.614 22.096 -9.463 1.00 43.21 H new ATOM 0 HB VAL A 31 6.740 24.263 -9.416 1.00 43.31 H new ATOM 0 HG11 VAL A 31 8.279 22.611 -8.437 1.00 13.21 H new ATOM 0 HG12 VAL A 31 6.941 23.006 -7.331 1.00 13.21 H new ATOM 0 HG13 VAL A 31 6.924 21.474 -8.236 1.00 13.21 H new ATOM 0 HG21 VAL A 31 7.941 22.692 -10.882 1.00 62.31 H new ATOM 0 HG22 VAL A 31 6.572 21.560 -10.784 1.00 62.31 H new ATOM 0 HG23 VAL A 31 6.359 23.148 -11.557 1.00 62.31 H new ATOM 457 N ILE A 32 4.586 22.331 -6.939 1.00 54.14 N ATOM 458 CA ILE A 32 4.289 22.465 -5.519 1.00 33.24 C ATOM 459 C ILE A 32 5.137 21.508 -4.687 1.00 53.14 C ATOM 460 O ILE A 32 4.805 20.330 -4.548 1.00 1.54 O ATOM 461 CB ILE A 32 2.800 22.199 -5.227 1.00 70.11 C ATOM 462 CG1 ILE A 32 1.918 23.035 -6.157 1.00 64.45 C ATOM 463 CG2 ILE A 32 2.482 22.505 -3.771 1.00 44.21 C ATOM 464 CD1 ILE A 32 1.405 22.266 -7.355 1.00 33.03 C ATOM 0 H ILE A 32 4.765 21.374 -7.244 1.00 54.14 H new ATOM 0 HA ILE A 32 4.527 23.492 -5.243 1.00 33.24 H new ATOM 0 HB ILE A 32 2.592 21.145 -5.410 1.00 70.11 H new ATOM 0 HG12 ILE A 32 1.069 23.419 -5.591 1.00 64.45 H new ATOM 0 HG13 ILE A 32 2.486 23.898 -6.505 1.00 64.45 H new ATOM 0 HG21 ILE A 32 1.426 22.312 -3.581 1.00 44.21 H new ATOM 0 HG22 ILE A 32 3.089 21.871 -3.125 1.00 44.21 H new ATOM 0 HG23 ILE A 32 2.703 23.552 -3.563 1.00 44.21 H new ATOM 0 HD11 ILE A 32 0.787 22.920 -7.970 1.00 33.03 H new ATOM 0 HD12 ILE A 32 2.248 21.904 -7.943 1.00 33.03 H new ATOM 0 HD13 ILE A 32 0.809 21.419 -7.016 1.00 33.03 H new ATOM 476 N ILE A 33 6.231 22.022 -4.137 1.00 0.44 N ATOM 477 CA ILE A 33 7.125 21.214 -3.316 1.00 51.35 C ATOM 478 C ILE A 33 6.827 21.400 -1.832 1.00 64.24 C ATOM 479 O ILE A 33 6.681 22.525 -1.354 1.00 72.30 O ATOM 480 CB ILE A 33 8.601 21.564 -3.580 1.00 43.42 C ATOM 481 CG1 ILE A 33 8.788 22.026 -5.027 1.00 1.10 C ATOM 482 CG2 ILE A 33 9.491 20.367 -3.282 1.00 1.15 C ATOM 483 CD1 ILE A 33 8.989 23.519 -5.164 1.00 2.13 C ATOM 0 H ILE A 33 6.520 22.994 -4.245 1.00 0.44 H new ATOM 0 HA ILE A 33 6.952 20.173 -3.591 1.00 51.35 H new ATOM 0 HB ILE A 33 8.889 22.380 -2.918 1.00 43.42 H new ATOM 0 HG12 ILE A 33 9.648 21.511 -5.456 1.00 1.10 H new ATOM 0 HG13 ILE A 33 7.916 21.730 -5.610 1.00 1.10 H new ATOM 0 HG21 ILE A 33 10.531 20.630 -3.474 1.00 1.15 H new ATOM 0 HG22 ILE A 33 9.376 20.079 -2.237 1.00 1.15 H new ATOM 0 HG23 ILE A 33 9.204 19.532 -3.922 1.00 1.15 H new ATOM 0 HD11 ILE A 33 9.115 23.774 -6.216 1.00 2.13 H new ATOM 0 HD12 ILE A 33 8.119 24.041 -4.765 1.00 2.13 H new ATOM 0 HD13 ILE A 33 9.878 23.819 -4.609 1.00 2.13 H new ATOM 495 N ASP A 34 6.741 20.289 -1.109 1.00 4.12 N ATOM 496 CA ASP A 34 6.464 20.329 0.322 1.00 24.45 C ATOM 497 C ASP A 34 7.701 19.939 1.126 1.00 20.32 C ATOM 498 O ASP A 34 7.985 18.755 1.313 1.00 44.43 O ATOM 499 CB ASP A 34 5.303 19.394 0.665 1.00 51.32 C ATOM 500 CG ASP A 34 4.363 19.186 -0.506 1.00 62.35 C ATOM 501 OD1 ASP A 34 4.181 20.135 -1.297 1.00 22.02 O ATOM 502 OD2 ASP A 34 3.809 18.073 -0.632 1.00 50.42 O ATOM 0 H ASP A 34 6.859 19.350 -1.490 1.00 4.12 H new ATOM 0 HA ASP A 34 6.188 21.350 0.585 1.00 24.45 H new ATOM 0 HB2 ASP A 34 5.699 18.430 0.985 1.00 51.32 H new ATOM 0 HB3 ASP A 34 4.745 19.805 1.506 1.00 51.32 H new ATOM 507 N PHE A 35 8.433 20.942 1.599 1.00 25.41 N ATOM 508 CA PHE A 35 9.641 20.704 2.381 1.00 21.12 C ATOM 509 C PHE A 35 9.298 20.113 3.745 1.00 20.24 C ATOM 510 O PHE A 35 8.205 19.584 3.949 1.00 33.33 O ATOM 511 CB PHE A 35 10.424 22.007 2.559 1.00 34.44 C ATOM 512 CG PHE A 35 11.092 22.481 1.301 1.00 40.41 C ATOM 513 CD1 PHE A 35 12.147 21.772 0.751 1.00 23.42 C ATOM 514 CD2 PHE A 35 10.665 23.638 0.668 1.00 24.21 C ATOM 515 CE1 PHE A 35 12.765 22.205 -0.407 1.00 55.50 C ATOM 516 CE2 PHE A 35 11.278 24.076 -0.490 1.00 43.25 C ATOM 517 CZ PHE A 35 12.330 23.360 -1.028 1.00 31.00 C ATOM 0 H PHE A 35 8.211 21.927 1.455 1.00 25.41 H new ATOM 0 HA PHE A 35 10.259 19.988 1.840 1.00 21.12 H new ATOM 0 HB2 PHE A 35 9.747 22.783 2.916 1.00 34.44 H new ATOM 0 HB3 PHE A 35 11.180 21.865 3.331 1.00 34.44 H new ATOM 0 HD1 PHE A 35 12.491 20.869 1.233 1.00 23.42 H new ATOM 0 HD2 PHE A 35 9.844 24.203 1.085 1.00 24.21 H new ATOM 0 HE1 PHE A 35 13.586 21.642 -0.825 1.00 55.50 H new ATOM 0 HE2 PHE A 35 10.935 24.978 -0.975 1.00 43.25 H new ATOM 0 HZ PHE A 35 12.811 23.702 -1.932 1.00 31.00 H new ATOM 527 N THR A 36 10.241 20.206 4.678 1.00 32.22 N ATOM 528 CA THR A 36 10.041 19.680 6.022 1.00 34.45 C ATOM 529 C THR A 36 11.367 19.532 6.758 1.00 24.04 C ATOM 530 O THR A 36 12.265 18.823 6.304 1.00 75.12 O ATOM 531 CB THR A 36 9.329 18.314 5.991 1.00 64.42 C ATOM 532 OG1 THR A 36 9.589 17.598 7.204 1.00 53.13 O ATOM 533 CG2 THR A 36 9.794 17.489 4.800 1.00 23.11 C ATOM 0 H THR A 36 11.151 20.641 4.527 1.00 32.22 H new ATOM 0 HA THR A 36 9.413 20.397 6.551 1.00 34.45 H new ATOM 0 HB THR A 36 8.257 18.490 5.896 1.00 64.42 H new ATOM 0 HG1 THR A 36 9.132 16.732 7.177 1.00 53.13 H new ATOM 0 HG21 THR A 36 9.278 16.529 4.799 1.00 23.11 H new ATOM 0 HG22 THR A 36 9.569 18.023 3.877 1.00 23.11 H new ATOM 0 HG23 THR A 36 10.869 17.323 4.870 1.00 23.11 H new ATOM 629 N ARG A 44 -0.599 14.151 9.622 1.00 62.34 N ATOM 630 CA ARG A 44 -1.637 13.147 9.823 1.00 61.04 C ATOM 631 C ARG A 44 -3.024 13.753 9.628 1.00 22.24 C ATOM 632 O ARG A 44 -3.939 13.091 9.138 1.00 43.04 O ATOM 633 CB ARG A 44 -1.525 12.540 11.222 1.00 12.14 C ATOM 634 CG ARG A 44 -0.471 11.451 11.332 1.00 62.13 C ATOM 635 CD ARG A 44 -1.086 10.066 11.211 1.00 33.40 C ATOM 636 NE ARG A 44 -1.246 9.657 9.818 1.00 13.10 N ATOM 637 CZ ARG A 44 -1.311 8.389 9.427 1.00 54.42 C ATOM 638 NH1 ARG A 44 -1.231 7.412 10.319 1.00 71.21 N ATOM 639 NH2 ARG A 44 -1.458 8.097 8.141 1.00 44.43 N ATOM 0 HA ARG A 44 -1.496 12.361 9.082 1.00 61.04 H new ATOM 0 HB2 ARG A 44 -1.293 13.332 11.934 1.00 12.14 H new ATOM 0 HB3 ARG A 44 -2.492 12.127 11.508 1.00 12.14 H new ATOM 0 HG2 ARG A 44 0.277 11.587 10.551 1.00 62.13 H new ATOM 0 HG3 ARG A 44 0.046 11.539 12.288 1.00 62.13 H new ATOM 0 HD2 ARG A 44 -0.457 9.343 11.731 1.00 33.40 H new ATOM 0 HD3 ARG A 44 -2.057 10.056 11.705 1.00 33.40 H new ATOM 0 HE ARG A 44 -1.311 10.385 9.106 1.00 13.10 H new ATOM 0 HH11 ARG A 44 -1.119 7.633 11.309 1.00 71.21 H new ATOM 0 HH12 ARG A 44 -1.281 6.439 10.016 1.00 71.21 H new ATOM 0 HH21 ARG A 44 -1.521 8.846 7.452 1.00 44.43 H new ATOM 0 HH22 ARG A 44 -1.508 7.123 7.842 1.00 44.43 H new ATOM 653 N PHE A 45 -3.172 15.015 10.017 1.00 33.22 N ATOM 654 CA PHE A 45 -4.448 15.710 9.887 1.00 22.25 C ATOM 655 C PHE A 45 -4.660 16.195 8.456 1.00 22.33 C ATOM 656 O PHE A 45 -5.763 16.107 7.917 1.00 15.23 O ATOM 657 CB PHE A 45 -4.508 16.895 10.854 1.00 64.24 C ATOM 658 CG PHE A 45 -5.777 17.691 10.747 1.00 4.33 C ATOM 659 CD1 PHE A 45 -5.966 18.581 9.702 1.00 74.42 C ATOM 660 CD2 PHE A 45 -6.780 17.550 11.693 1.00 42.54 C ATOM 661 CE1 PHE A 45 -7.133 19.315 9.602 1.00 2.23 C ATOM 662 CE2 PHE A 45 -7.949 18.282 11.598 1.00 44.20 C ATOM 663 CZ PHE A 45 -8.126 19.165 10.551 1.00 44.03 C ATOM 0 H PHE A 45 -2.425 15.577 10.425 1.00 33.22 H new ATOM 0 HA PHE A 45 -5.243 15.007 10.135 1.00 22.25 H new ATOM 0 HB2 PHE A 45 -4.404 16.527 11.875 1.00 64.24 H new ATOM 0 HB3 PHE A 45 -3.659 17.552 10.664 1.00 64.24 H new ATOM 0 HD1 PHE A 45 -5.193 18.703 8.958 1.00 74.42 H new ATOM 0 HD2 PHE A 45 -6.647 16.861 12.514 1.00 42.54 H new ATOM 0 HE1 PHE A 45 -7.269 20.005 8.783 1.00 2.23 H new ATOM 0 HE2 PHE A 45 -8.723 18.163 12.342 1.00 44.20 H new ATOM 0 HZ PHE A 45 -9.039 19.737 10.474 1.00 44.03 H new ATOM 673 N ILE A 46 -3.595 16.706 7.848 1.00 53.34 N ATOM 674 CA ILE A 46 -3.664 17.205 6.480 1.00 72.44 C ATOM 675 C ILE A 46 -3.038 16.216 5.502 1.00 33.41 C ATOM 676 O ILE A 46 -2.846 16.526 4.327 1.00 2.30 O ATOM 677 CB ILE A 46 -2.956 18.565 6.340 1.00 53.23 C ATOM 678 CG1 ILE A 46 -3.510 19.332 5.137 1.00 72.42 C ATOM 679 CG2 ILE A 46 -1.454 18.369 6.203 1.00 22.04 C ATOM 680 CD1 ILE A 46 -3.417 20.834 5.283 1.00 54.31 C ATOM 0 H ILE A 46 -2.675 16.785 8.281 1.00 53.34 H new ATOM 0 HA ILE A 46 -4.721 17.329 6.242 1.00 72.44 H new ATOM 0 HB ILE A 46 -3.146 19.151 7.240 1.00 53.23 H new ATOM 0 HG12 ILE A 46 -2.968 19.028 4.242 1.00 72.42 H new ATOM 0 HG13 ILE A 46 -4.553 19.054 4.988 1.00 72.42 H new ATOM 0 HG21 ILE A 46 -0.968 19.340 6.105 1.00 22.04 H new ATOM 0 HG22 ILE A 46 -1.071 17.859 7.087 1.00 22.04 H new ATOM 0 HG23 ILE A 46 -1.245 17.767 5.318 1.00 22.04 H new ATOM 0 HD11 ILE A 46 -3.828 21.312 4.394 1.00 54.31 H new ATOM 0 HD12 ILE A 46 -3.983 21.150 6.159 1.00 54.31 H new ATOM 0 HD13 ILE A 46 -2.373 21.124 5.401 1.00 54.31 H new ATOM 692 N ALA A 47 -2.724 15.022 5.996 1.00 53.42 N ATOM 693 CA ALA A 47 -2.124 13.986 5.165 1.00 22.13 C ATOM 694 C ALA A 47 -2.998 13.677 3.955 1.00 53.22 C ATOM 695 O ALA A 47 -2.557 13.741 2.807 1.00 3.13 O ATOM 696 CB ALA A 47 -1.888 12.725 5.983 1.00 5.04 C ATOM 0 H ALA A 47 -2.875 14.749 6.967 1.00 53.42 H new ATOM 0 HA ALA A 47 -1.165 14.356 4.802 1.00 22.13 H new ATOM 0 HB1 ALA A 47 -1.439 11.959 5.350 1.00 5.04 H new ATOM 0 HB2 ALA A 47 -1.217 12.949 6.812 1.00 5.04 H new ATOM 0 HB3 ALA A 47 -2.838 12.362 6.374 1.00 5.04 H new ATOM 702 N PRO A 48 -4.269 13.334 4.214 1.00 64.53 N ATOM 703 CA PRO A 48 -5.232 13.008 3.158 1.00 64.25 C ATOM 704 C PRO A 48 -5.627 14.230 2.336 1.00 3.31 C ATOM 705 O PRO A 48 -6.504 14.156 1.476 1.00 72.41 O ATOM 706 CB PRO A 48 -6.438 12.471 3.931 1.00 33.50 C ATOM 707 CG PRO A 48 -6.334 13.097 5.279 1.00 40.24 C ATOM 708 CD PRO A 48 -4.863 13.237 5.558 1.00 50.05 C ATOM 0 HA PRO A 48 -4.822 12.301 2.437 1.00 64.25 H new ATOM 0 HB2 PRO A 48 -7.374 12.740 3.441 1.00 33.50 H new ATOM 0 HB3 PRO A 48 -6.414 11.383 3.997 1.00 33.50 H new ATOM 0 HG2 PRO A 48 -6.829 14.068 5.298 1.00 40.24 H new ATOM 0 HG3 PRO A 48 -6.817 12.478 6.035 1.00 40.24 H new ATOM 0 HD2 PRO A 48 -4.650 14.123 6.156 1.00 50.05 H new ATOM 0 HD3 PRO A 48 -4.475 12.380 6.108 1.00 50.05 H new ATOM 716 N VAL A 49 -4.973 15.356 2.607 1.00 70.25 N ATOM 717 CA VAL A 49 -5.255 16.594 1.891 1.00 12.51 C ATOM 718 C VAL A 49 -4.215 16.852 0.807 1.00 41.01 C ATOM 719 O VAL A 49 -4.556 17.142 -0.340 1.00 74.40 O ATOM 720 CB VAL A 49 -5.292 17.800 2.849 1.00 4.01 C ATOM 721 CG1 VAL A 49 -4.941 19.082 2.108 1.00 21.54 C ATOM 722 CG2 VAL A 49 -6.657 17.913 3.511 1.00 43.34 C ATOM 0 H VAL A 49 -4.245 15.436 3.317 1.00 70.25 H new ATOM 0 HA VAL A 49 -6.235 16.476 1.429 1.00 12.51 H new ATOM 0 HB VAL A 49 -4.547 17.645 3.630 1.00 4.01 H new ATOM 0 HG11 VAL A 49 -4.972 19.923 2.801 1.00 21.54 H new ATOM 0 HG12 VAL A 49 -3.939 18.996 1.687 1.00 21.54 H new ATOM 0 HG13 VAL A 49 -5.660 19.247 1.305 1.00 21.54 H new ATOM 0 HG21 VAL A 49 -6.665 18.770 4.184 1.00 43.34 H new ATOM 0 HG22 VAL A 49 -7.422 18.045 2.746 1.00 43.34 H new ATOM 0 HG23 VAL A 49 -6.863 17.005 4.077 1.00 43.34 H new ATOM 732 N PHE A 50 -2.943 16.744 1.177 1.00 12.22 N ATOM 733 CA PHE A 50 -1.851 16.966 0.236 1.00 35.11 C ATOM 734 C PHE A 50 -1.894 15.944 -0.896 1.00 43.13 C ATOM 735 O PHE A 50 -2.229 16.275 -2.033 1.00 51.11 O ATOM 736 CB PHE A 50 -0.504 16.889 0.958 1.00 74.03 C ATOM 737 CG PHE A 50 -0.327 17.946 2.010 1.00 62.10 C ATOM 738 CD1 PHE A 50 -0.777 19.239 1.795 1.00 31.53 C ATOM 739 CD2 PHE A 50 0.291 17.647 3.214 1.00 70.14 C ATOM 740 CE1 PHE A 50 -0.616 20.214 2.762 1.00 64.53 C ATOM 741 CE2 PHE A 50 0.455 18.617 4.184 1.00 52.52 C ATOM 742 CZ PHE A 50 0.002 19.903 3.957 1.00 22.41 C ATOM 0 H PHE A 50 -2.643 16.504 2.122 1.00 12.22 H new ATOM 0 HA PHE A 50 -1.969 17.962 -0.192 1.00 35.11 H new ATOM 0 HB2 PHE A 50 -0.404 15.907 1.420 1.00 74.03 H new ATOM 0 HB3 PHE A 50 0.298 16.979 0.225 1.00 74.03 H new ATOM 0 HD1 PHE A 50 -1.259 19.488 0.861 1.00 31.53 H new ATOM 0 HD2 PHE A 50 0.648 16.644 3.396 1.00 70.14 H new ATOM 0 HE1 PHE A 50 -0.973 21.217 2.583 1.00 64.53 H new ATOM 0 HE2 PHE A 50 0.937 18.371 5.119 1.00 52.52 H new ATOM 0 HZ PHE A 50 0.131 20.663 4.713 1.00 22.41 H new ATOM 752 N ALA A 51 -1.550 14.701 -0.576 1.00 72.35 N ATOM 753 CA ALA A 51 -1.550 13.630 -1.565 1.00 61.13 C ATOM 754 C ALA A 51 -2.830 13.647 -2.393 1.00 75.31 C ATOM 755 O ALA A 51 -2.785 13.626 -3.623 1.00 32.44 O ATOM 756 CB ALA A 51 -1.378 12.281 -0.883 1.00 12.04 C ATOM 0 H ALA A 51 -1.268 14.411 0.360 1.00 72.35 H new ATOM 0 HA ALA A 51 -0.710 13.793 -2.240 1.00 61.13 H new ATOM 0 HB1 ALA A 51 -1.380 11.491 -1.634 1.00 12.04 H new ATOM 0 HB2 ALA A 51 -0.432 12.265 -0.342 1.00 12.04 H new ATOM 0 HB3 ALA A 51 -2.199 12.119 -0.184 1.00 12.04 H new ATOM 762 N GLU A 52 -3.971 13.684 -1.710 1.00 44.05 N ATOM 763 CA GLU A 52 -5.263 13.702 -2.385 1.00 35.15 C ATOM 764 C GLU A 52 -5.392 14.929 -3.282 1.00 12.40 C ATOM 765 O GLU A 52 -6.020 14.875 -4.340 1.00 12.54 O ATOM 766 CB GLU A 52 -6.399 13.685 -1.359 1.00 3.33 C ATOM 767 CG GLU A 52 -6.969 15.062 -1.059 1.00 61.55 C ATOM 768 CD GLU A 52 -8.217 15.002 -0.200 1.00 23.30 C ATOM 769 OE1 GLU A 52 -9.032 14.077 -0.400 1.00 3.03 O ATOM 770 OE2 GLU A 52 -8.378 15.880 0.673 1.00 43.41 O ATOM 0 H GLU A 52 -4.026 13.702 -0.692 1.00 44.05 H new ATOM 0 HA GLU A 52 -5.331 12.810 -3.008 1.00 35.15 H new ATOM 0 HB2 GLU A 52 -7.199 13.042 -1.726 1.00 3.33 H new ATOM 0 HB3 GLU A 52 -6.034 13.242 -0.432 1.00 3.33 H new ATOM 0 HG2 GLU A 52 -6.213 15.662 -0.553 1.00 61.55 H new ATOM 0 HG3 GLU A 52 -7.202 15.567 -1.997 1.00 61.55 H new ATOM 777 N TYR A 53 -4.794 16.035 -2.852 1.00 22.51 N ATOM 778 CA TYR A 53 -4.843 17.277 -3.614 1.00 34.41 C ATOM 779 C TYR A 53 -4.004 17.171 -4.884 1.00 33.34 C ATOM 780 O TYR A 53 -4.426 17.599 -5.957 1.00 75.34 O ATOM 781 CB TYR A 53 -4.349 18.444 -2.758 1.00 51.45 C ATOM 782 CG TYR A 53 -5.421 19.048 -1.880 1.00 15.00 C ATOM 783 CD1 TYR A 53 -6.639 18.405 -1.696 1.00 34.22 C ATOM 784 CD2 TYR A 53 -5.218 20.262 -1.235 1.00 64.41 C ATOM 785 CE1 TYR A 53 -7.623 18.953 -0.895 1.00 25.24 C ATOM 786 CE2 TYR A 53 -6.194 20.816 -0.431 1.00 53.20 C ATOM 787 CZ TYR A 53 -7.395 20.158 -0.264 1.00 51.21 C ATOM 788 OH TYR A 53 -8.371 20.708 0.535 1.00 52.11 O ATOM 0 H TYR A 53 -4.270 16.096 -1.979 1.00 22.51 H new ATOM 0 HA TYR A 53 -5.879 17.458 -3.900 1.00 34.41 H new ATOM 0 HB2 TYR A 53 -3.528 18.100 -2.129 1.00 51.45 H new ATOM 0 HB3 TYR A 53 -3.948 19.218 -3.412 1.00 51.45 H new ATOM 0 HD1 TYR A 53 -6.820 17.460 -2.188 1.00 34.22 H new ATOM 0 HD2 TYR A 53 -4.280 20.781 -1.365 1.00 64.41 H new ATOM 0 HE1 TYR A 53 -8.565 18.441 -0.764 1.00 25.24 H new ATOM 0 HE2 TYR A 53 -6.018 21.759 0.065 1.00 53.20 H new ATOM 0 HH TYR A 53 -8.051 21.557 0.905 1.00 52.11 H new ATOM 798 N ALA A 54 -2.813 16.597 -4.752 1.00 31.54 N ATOM 799 CA ALA A 54 -1.915 16.431 -5.887 1.00 43.04 C ATOM 800 C ALA A 54 -2.665 15.912 -7.109 1.00 64.24 C ATOM 801 O ALA A 54 -2.452 16.381 -8.228 1.00 4.35 O ATOM 802 CB ALA A 54 -0.775 15.490 -5.526 1.00 41.01 C ATOM 0 H ALA A 54 -2.448 16.239 -3.869 1.00 31.54 H new ATOM 0 HA ALA A 54 -1.500 17.408 -6.136 1.00 43.04 H new ATOM 0 HB1 ALA A 54 -0.112 15.376 -6.384 1.00 41.01 H new ATOM 0 HB2 ALA A 54 -0.215 15.902 -4.687 1.00 41.01 H new ATOM 0 HB3 ALA A 54 -1.180 14.517 -5.248 1.00 41.01 H new ATOM 808 N LYS A 55 -3.543 14.940 -6.890 1.00 32.44 N ATOM 809 CA LYS A 55 -4.326 14.356 -7.972 1.00 71.05 C ATOM 810 C LYS A 55 -5.497 15.259 -8.345 1.00 54.21 C ATOM 811 O LYS A 55 -5.788 15.462 -9.524 1.00 42.42 O ATOM 812 CB LYS A 55 -4.843 12.973 -7.568 1.00 41.50 C ATOM 813 CG LYS A 55 -3.763 12.057 -7.020 1.00 20.12 C ATOM 814 CD LYS A 55 -4.358 10.915 -6.212 1.00 44.42 C ATOM 815 CE LYS A 55 -5.255 10.035 -7.068 1.00 54.33 C ATOM 816 NZ LYS A 55 -4.530 8.845 -7.591 1.00 24.53 N ATOM 0 H LYS A 55 -3.731 14.539 -5.971 1.00 32.44 H new ATOM 0 HA LYS A 55 -3.677 14.254 -8.842 1.00 71.05 H new ATOM 0 HB2 LYS A 55 -5.623 13.091 -6.816 1.00 41.50 H new ATOM 0 HB3 LYS A 55 -5.304 12.499 -8.435 1.00 41.50 H new ATOM 0 HG2 LYS A 55 -3.175 11.653 -7.844 1.00 20.12 H new ATOM 0 HG3 LYS A 55 -3.081 12.631 -6.393 1.00 20.12 H new ATOM 0 HD2 LYS A 55 -3.556 10.313 -5.786 1.00 44.42 H new ATOM 0 HD3 LYS A 55 -4.932 11.318 -5.378 1.00 44.42 H new ATOM 0 HE2 LYS A 55 -6.112 9.708 -6.479 1.00 54.33 H new ATOM 0 HE3 LYS A 55 -5.646 10.618 -7.902 1.00 54.33 H new ATOM 0 HZ1 LYS A 55 -5.176 8.271 -8.169 1.00 24.53 H new ATOM 0 HZ2 LYS A 55 -3.727 9.156 -8.174 1.00 24.53 H new ATOM 0 HZ3 LYS A 55 -4.179 8.275 -6.795 1.00 24.53 H new ATOM 830 N LYS A 56 -6.167 15.800 -7.333 1.00 4.42 N ATOM 831 CA LYS A 56 -7.305 16.685 -7.553 1.00 61.32 C ATOM 832 C LYS A 56 -6.922 17.849 -8.461 1.00 5.12 C ATOM 833 O LYS A 56 -7.762 18.394 -9.177 1.00 20.30 O ATOM 834 CB LYS A 56 -7.830 17.217 -6.218 1.00 22.53 C ATOM 835 CG LYS A 56 -8.458 16.147 -5.342 1.00 32.34 C ATOM 836 CD LYS A 56 -9.883 16.508 -4.956 1.00 70.42 C ATOM 837 CE LYS A 56 -9.947 17.858 -4.260 1.00 1.41 C ATOM 838 NZ LYS A 56 -10.970 17.877 -3.178 1.00 23.23 N ATOM 0 H LYS A 56 -5.941 15.641 -6.351 1.00 4.42 H new ATOM 0 HA LYS A 56 -8.091 16.109 -8.042 1.00 61.32 H new ATOM 0 HB2 LYS A 56 -7.009 17.684 -5.674 1.00 22.53 H new ATOM 0 HB3 LYS A 56 -8.568 17.996 -6.412 1.00 22.53 H new ATOM 0 HG2 LYS A 56 -8.454 15.194 -5.871 1.00 32.34 H new ATOM 0 HG3 LYS A 56 -7.858 16.015 -4.441 1.00 32.34 H new ATOM 0 HD2 LYS A 56 -10.509 16.528 -5.848 1.00 70.42 H new ATOM 0 HD3 LYS A 56 -10.289 15.739 -4.299 1.00 70.42 H new ATOM 0 HE2 LYS A 56 -8.970 18.097 -3.840 1.00 1.41 H new ATOM 0 HE3 LYS A 56 -10.177 18.633 -4.991 1.00 1.41 H new ATOM 0 HZ1 LYS A 56 -10.982 18.815 -2.728 1.00 23.23 H new ATOM 0 HZ2 LYS A 56 -11.907 17.675 -3.582 1.00 23.23 H new ATOM 0 HZ3 LYS A 56 -10.737 17.155 -2.467 1.00 23.23 H new ATOM 852 N PHE A 57 -5.647 18.225 -8.427 1.00 14.21 N ATOM 853 CA PHE A 57 -5.153 19.325 -9.247 1.00 61.11 C ATOM 854 C PHE A 57 -4.182 18.817 -10.309 1.00 41.31 C ATOM 855 O PHE A 57 -2.969 18.761 -10.102 1.00 55.41 O ATOM 856 CB PHE A 57 -4.465 20.374 -8.371 1.00 32.33 C ATOM 857 CG PHE A 57 -5.404 21.417 -7.836 1.00 40.22 C ATOM 858 CD1 PHE A 57 -5.670 22.566 -8.563 1.00 51.31 C ATOM 859 CD2 PHE A 57 -6.020 21.249 -6.606 1.00 40.25 C ATOM 860 CE1 PHE A 57 -6.534 23.528 -8.074 1.00 42.44 C ATOM 861 CE2 PHE A 57 -6.885 22.208 -6.113 1.00 21.51 C ATOM 862 CZ PHE A 57 -7.141 23.349 -6.847 1.00 52.11 C ATOM 0 H PHE A 57 -4.938 17.784 -7.841 1.00 14.21 H new ATOM 0 HA PHE A 57 -6.006 19.783 -9.748 1.00 61.11 H new ATOM 0 HB2 PHE A 57 -3.976 19.874 -7.535 1.00 32.33 H new ATOM 0 HB3 PHE A 57 -3.683 20.864 -8.951 1.00 32.33 H new ATOM 0 HD1 PHE A 57 -5.197 22.712 -9.523 1.00 51.31 H new ATOM 0 HD2 PHE A 57 -5.822 20.359 -6.026 1.00 40.25 H new ATOM 0 HE1 PHE A 57 -6.734 24.419 -8.651 1.00 42.44 H new ATOM 0 HE2 PHE A 57 -7.360 22.065 -5.154 1.00 21.51 H new ATOM 0 HZ PHE A 57 -7.815 24.100 -6.462 1.00 52.11 H new ATOM 872 N PRO A 58 -4.726 18.437 -11.475 1.00 12.53 N ATOM 873 CA PRO A 58 -3.927 17.928 -12.593 1.00 20.42 C ATOM 874 C PRO A 58 -3.069 19.013 -13.235 1.00 33.24 C ATOM 875 O PRO A 58 -2.277 18.740 -14.136 1.00 33.24 O ATOM 876 CB PRO A 58 -4.981 17.424 -13.582 1.00 12.31 C ATOM 877 CG PRO A 58 -6.202 18.220 -13.272 1.00 42.21 C ATOM 878 CD PRO A 58 -6.164 18.477 -11.791 1.00 2.10 C ATOM 0 HA PRO A 58 -3.221 17.161 -12.273 1.00 20.42 H new ATOM 0 HB2 PRO A 58 -4.661 17.575 -14.613 1.00 12.31 H new ATOM 0 HB3 PRO A 58 -5.162 16.356 -13.458 1.00 12.31 H new ATOM 0 HG2 PRO A 58 -6.210 19.156 -13.830 1.00 42.21 H new ATOM 0 HG3 PRO A 58 -7.104 17.675 -13.551 1.00 42.21 H new ATOM 0 HD2 PRO A 58 -6.604 19.442 -11.539 1.00 2.10 H new ATOM 0 HD3 PRO A 58 -6.718 17.719 -11.237 1.00 2.10 H new ATOM 886 N GLY A 59 -3.233 20.246 -12.764 1.00 24.40 N ATOM 887 CA GLY A 59 -2.466 21.353 -13.304 1.00 10.32 C ATOM 888 C GLY A 59 -1.177 21.592 -12.543 1.00 12.05 C ATOM 889 O GLY A 59 -0.603 22.679 -12.606 1.00 60.43 O ATOM 0 H GLY A 59 -3.883 20.497 -12.019 1.00 24.40 H new ATOM 0 HA2 GLY A 59 -2.235 21.154 -14.351 1.00 10.32 H new ATOM 0 HA3 GLY A 59 -3.073 22.258 -13.278 1.00 10.32 H new ATOM 893 N ALA A 60 -0.722 20.575 -11.819 1.00 32.43 N ATOM 894 CA ALA A 60 0.507 20.679 -11.042 1.00 71.11 C ATOM 895 C ALA A 60 1.206 19.328 -10.937 1.00 63.12 C ATOM 896 O ALA A 60 0.640 18.295 -11.294 1.00 34.34 O ATOM 897 CB ALA A 60 0.210 21.231 -9.656 1.00 31.44 C ATOM 0 H ALA A 60 -1.186 19.669 -11.754 1.00 32.43 H new ATOM 0 HA ALA A 60 1.177 21.366 -11.559 1.00 71.11 H new ATOM 0 HB1 ALA A 60 1.137 21.303 -9.087 1.00 31.44 H new ATOM 0 HB2 ALA A 60 -0.238 22.220 -9.747 1.00 31.44 H new ATOM 0 HB3 ALA A 60 -0.482 20.565 -9.140 1.00 31.44 H new ATOM 903 N VAL A 61 2.442 19.343 -10.447 1.00 33.33 N ATOM 904 CA VAL A 61 3.219 18.118 -10.295 1.00 14.34 C ATOM 905 C VAL A 61 3.244 17.660 -8.841 1.00 11.53 C ATOM 906 O VAL A 61 3.255 16.463 -8.556 1.00 24.31 O ATOM 907 CB VAL A 61 4.666 18.307 -10.787 1.00 52.12 C ATOM 908 CG1 VAL A 61 4.685 18.661 -12.266 1.00 54.43 C ATOM 909 CG2 VAL A 61 5.373 19.375 -9.966 1.00 33.43 C ATOM 0 H VAL A 61 2.927 20.190 -10.149 1.00 33.33 H new ATOM 0 HA VAL A 61 2.732 17.357 -10.904 1.00 14.34 H new ATOM 0 HB VAL A 61 5.201 17.367 -10.656 1.00 52.12 H new ATOM 0 HG11 VAL A 61 5.716 18.791 -12.596 1.00 54.43 H new ATOM 0 HG12 VAL A 61 4.219 17.859 -12.838 1.00 54.43 H new ATOM 0 HG13 VAL A 61 4.134 19.588 -12.425 1.00 54.43 H new ATOM 0 HG21 VAL A 61 6.394 19.495 -10.328 1.00 33.43 H new ATOM 0 HG22 VAL A 61 4.840 20.321 -10.063 1.00 33.43 H new ATOM 0 HG23 VAL A 61 5.392 19.075 -8.918 1.00 33.43 H new ATOM 919 N PHE A 62 3.252 18.622 -7.923 1.00 70.04 N ATOM 920 CA PHE A 62 3.276 18.318 -6.497 1.00 63.14 C ATOM 921 C PHE A 62 4.471 17.435 -6.150 1.00 3.12 C ATOM 922 O PHE A 62 5.060 16.796 -7.023 1.00 22.45 O ATOM 923 CB PHE A 62 1.977 17.625 -6.080 1.00 5.11 C ATOM 924 CG PHE A 62 0.765 18.504 -6.196 1.00 1.24 C ATOM 925 CD1 PHE A 62 0.126 18.669 -7.414 1.00 63.11 C ATOM 926 CD2 PHE A 62 0.264 19.165 -5.086 1.00 10.41 C ATOM 927 CE1 PHE A 62 -0.989 19.478 -7.523 1.00 61.13 C ATOM 928 CE2 PHE A 62 -0.851 19.975 -5.189 1.00 13.40 C ATOM 929 CZ PHE A 62 -1.479 20.131 -6.409 1.00 70.02 C ATOM 0 H PHE A 62 3.242 19.618 -8.142 1.00 70.04 H new ATOM 0 HA PHE A 62 3.370 19.257 -5.952 1.00 63.14 H new ATOM 0 HB2 PHE A 62 1.833 16.738 -6.697 1.00 5.11 H new ATOM 0 HB3 PHE A 62 2.071 17.284 -5.049 1.00 5.11 H new ATOM 0 HD1 PHE A 62 0.504 18.160 -8.288 1.00 63.11 H new ATOM 0 HD2 PHE A 62 0.751 19.046 -4.129 1.00 10.41 H new ATOM 0 HE1 PHE A 62 -1.477 19.600 -8.479 1.00 61.13 H new ATOM 0 HE2 PHE A 62 -1.231 20.485 -4.316 1.00 13.40 H new ATOM 0 HZ PHE A 62 -2.351 20.762 -6.492 1.00 70.02 H new ATOM 939 N LEU A 63 4.825 17.405 -4.870 1.00 14.54 N ATOM 940 CA LEU A 63 5.950 16.602 -4.405 1.00 31.11 C ATOM 941 C LEU A 63 6.423 17.070 -3.032 1.00 62.24 C ATOM 942 O LEU A 63 6.345 18.255 -2.707 1.00 71.31 O ATOM 943 CB LEU A 63 7.103 16.676 -5.407 1.00 61.42 C ATOM 944 CG LEU A 63 8.511 16.580 -4.819 1.00 21.44 C ATOM 945 CD1 LEU A 63 9.164 15.262 -5.208 1.00 51.53 C ATOM 946 CD2 LEU A 63 9.362 17.755 -5.277 1.00 61.10 C ATOM 0 H LEU A 63 4.349 17.928 -4.135 1.00 14.54 H new ATOM 0 HA LEU A 63 5.616 15.568 -4.320 1.00 31.11 H new ATOM 0 HB2 LEU A 63 6.979 15.873 -6.133 1.00 61.42 H new ATOM 0 HB3 LEU A 63 7.023 17.615 -5.954 1.00 61.42 H new ATOM 0 HG LEU A 63 8.433 16.616 -3.732 1.00 21.44 H new ATOM 0 HD11 LEU A 63 10.165 15.212 -4.780 1.00 51.53 H new ATOM 0 HD12 LEU A 63 8.566 14.434 -4.829 1.00 51.53 H new ATOM 0 HD13 LEU A 63 9.229 15.195 -6.294 1.00 51.53 H new ATOM 0 HD21 LEU A 63 10.361 17.670 -4.849 1.00 61.10 H new ATOM 0 HD22 LEU A 63 9.432 17.751 -6.365 1.00 61.10 H new ATOM 0 HD23 LEU A 63 8.904 18.687 -4.946 1.00 61.10 H new ATOM 958 N LYS A 64 6.917 16.132 -2.231 1.00 72.01 N ATOM 959 CA LYS A 64 7.407 16.447 -0.894 1.00 51.25 C ATOM 960 C LYS A 64 8.865 16.029 -0.737 1.00 44.42 C ATOM 961 O LYS A 64 9.250 14.924 -1.119 1.00 34.11 O ATOM 962 CB LYS A 64 6.549 15.750 0.163 1.00 34.04 C ATOM 963 CG LYS A 64 7.348 14.882 1.120 1.00 60.24 C ATOM 964 CD LYS A 64 6.443 13.983 1.946 1.00 42.21 C ATOM 965 CE LYS A 64 5.438 13.249 1.072 1.00 63.32 C ATOM 966 NZ LYS A 64 4.927 12.015 1.731 1.00 64.12 N ATOM 0 H LYS A 64 6.989 15.147 -2.485 1.00 72.01 H new ATOM 0 HA LYS A 64 7.339 17.526 -0.754 1.00 51.25 H new ATOM 0 HB2 LYS A 64 6.008 16.504 0.735 1.00 34.04 H new ATOM 0 HB3 LYS A 64 5.802 15.133 -0.337 1.00 34.04 H new ATOM 0 HG2 LYS A 64 8.053 14.271 0.556 1.00 60.24 H new ATOM 0 HG3 LYS A 64 7.936 15.516 1.783 1.00 60.24 H new ATOM 0 HD2 LYS A 64 7.048 13.260 2.493 1.00 42.21 H new ATOM 0 HD3 LYS A 64 5.913 14.581 2.688 1.00 42.21 H new ATOM 0 HE2 LYS A 64 4.603 13.911 0.844 1.00 63.32 H new ATOM 0 HE3 LYS A 64 5.905 12.987 0.123 1.00 63.32 H new ATOM 0 HZ1 LYS A 64 4.245 11.543 1.103 1.00 64.12 H new ATOM 0 HZ2 LYS A 64 5.720 11.371 1.926 1.00 64.12 H new ATOM 0 HZ3 LYS A 64 4.458 12.267 2.625 1.00 64.12 H new ATOM 980 N VAL A 65 9.674 16.920 -0.171 1.00 52.23 N ATOM 981 CA VAL A 65 11.090 16.643 0.039 1.00 74.40 C ATOM 982 C VAL A 65 11.491 16.901 1.487 1.00 42.43 C ATOM 983 O VAL A 65 10.732 17.490 2.257 1.00 71.23 O ATOM 984 CB VAL A 65 11.973 17.498 -0.888 1.00 41.32 C ATOM 985 CG1 VAL A 65 11.194 17.928 -2.122 1.00 32.41 C ATOM 986 CG2 VAL A 65 12.513 18.708 -0.141 1.00 43.30 C ATOM 0 H VAL A 65 9.372 17.840 0.150 1.00 52.23 H new ATOM 0 HA VAL A 65 11.245 15.590 -0.196 1.00 74.40 H new ATOM 0 HB VAL A 65 12.819 16.893 -1.215 1.00 41.32 H new ATOM 0 HG11 VAL A 65 11.835 18.531 -2.765 1.00 32.41 H new ATOM 0 HG12 VAL A 65 10.860 17.045 -2.668 1.00 32.41 H new ATOM 0 HG13 VAL A 65 10.328 18.516 -1.819 1.00 32.41 H new ATOM 0 HG21 VAL A 65 13.135 19.301 -0.811 1.00 43.30 H new ATOM 0 HG22 VAL A 65 11.682 19.316 0.216 1.00 43.30 H new ATOM 0 HG23 VAL A 65 13.110 18.375 0.708 1.00 43.30 H new ATOM 996 N ASP A 66 12.690 16.459 1.850 1.00 33.54 N ATOM 997 CA ASP A 66 13.194 16.643 3.206 1.00 0.42 C ATOM 998 C ASP A 66 14.399 17.579 3.215 1.00 52.11 C ATOM 999 O ASP A 66 15.414 17.307 2.574 1.00 22.02 O ATOM 1000 CB ASP A 66 13.575 15.295 3.820 1.00 43.23 C ATOM 1001 CG ASP A 66 13.517 15.311 5.335 1.00 41.35 C ATOM 1002 OD1 ASP A 66 13.732 16.390 5.925 1.00 3.45 O ATOM 1003 OD2 ASP A 66 13.255 14.245 5.929 1.00 25.01 O ATOM 0 H ASP A 66 13.331 15.971 1.224 1.00 33.54 H new ATOM 0 HA ASP A 66 12.401 17.094 3.803 1.00 0.42 H new ATOM 0 HB2 ASP A 66 12.903 14.524 3.442 1.00 43.23 H new ATOM 0 HB3 ASP A 66 14.582 15.025 3.501 1.00 43.23 H new ATOM 1008 N VAL A 67 14.279 18.684 3.945 1.00 74.25 N ATOM 1009 CA VAL A 67 15.357 19.660 4.037 1.00 44.22 C ATOM 1010 C VAL A 67 16.430 19.202 5.018 1.00 4.53 C ATOM 1011 O VAL A 67 16.992 20.008 5.761 1.00 52.54 O ATOM 1012 CB VAL A 67 14.830 21.039 4.476 1.00 42.21 C ATOM 1013 CG1 VAL A 67 13.681 21.481 3.583 1.00 74.41 C ATOM 1014 CG2 VAL A 67 14.400 21.005 5.935 1.00 42.03 C ATOM 0 H VAL A 67 13.445 18.925 4.481 1.00 74.25 H new ATOM 0 HA VAL A 67 15.792 19.746 3.041 1.00 44.22 H new ATOM 0 HB VAL A 67 15.636 21.766 4.375 1.00 42.21 H new ATOM 0 HG11 VAL A 67 13.322 22.457 3.909 1.00 74.41 H new ATOM 0 HG12 VAL A 67 14.027 21.547 2.551 1.00 74.41 H new ATOM 0 HG13 VAL A 67 12.870 20.756 3.648 1.00 74.41 H new ATOM 0 HG21 VAL A 67 14.030 21.988 6.228 1.00 42.03 H new ATOM 0 HG22 VAL A 67 13.609 20.266 6.064 1.00 42.03 H new ATOM 0 HG23 VAL A 67 15.252 20.737 6.559 1.00 42.03 H new ATOM 1024 N ASP A 68 16.711 17.904 5.016 1.00 10.12 N ATOM 1025 CA ASP A 68 17.719 17.338 5.906 1.00 54.13 C ATOM 1026 C ASP A 68 18.716 16.487 5.125 1.00 13.15 C ATOM 1027 O ASP A 68 19.807 16.192 5.611 1.00 30.33 O ATOM 1028 CB ASP A 68 17.053 16.496 6.995 1.00 71.20 C ATOM 1029 CG ASP A 68 18.006 16.149 8.122 1.00 13.21 C ATOM 1030 OD1 ASP A 68 18.766 17.042 8.551 1.00 32.25 O ATOM 1031 OD2 ASP A 68 17.992 14.985 8.574 1.00 31.13 O ATOM 0 H ASP A 68 16.255 17.223 4.408 1.00 10.12 H new ATOM 0 HA ASP A 68 18.259 18.161 6.374 1.00 54.13 H new ATOM 0 HB2 ASP A 68 16.199 17.040 7.399 1.00 71.20 H new ATOM 0 HB3 ASP A 68 16.666 15.577 6.554 1.00 71.20 H new ATOM 1036 N GLU A 69 18.332 16.096 3.914 1.00 31.23 N ATOM 1037 CA GLU A 69 19.192 15.277 3.068 1.00 23.15 C ATOM 1038 C GLU A 69 19.505 15.991 1.757 1.00 53.33 C ATOM 1039 O GLU A 69 20.584 15.824 1.187 1.00 72.41 O ATOM 1040 CB GLU A 69 18.529 13.928 2.782 1.00 51.21 C ATOM 1041 CG GLU A 69 17.236 14.042 1.992 1.00 61.53 C ATOM 1042 CD GLU A 69 16.249 12.940 2.326 1.00 23.23 C ATOM 1043 OE1 GLU A 69 16.696 11.814 2.629 1.00 24.01 O ATOM 1044 OE2 GLU A 69 15.029 13.204 2.285 1.00 4.45 O ATOM 0 H GLU A 69 17.432 16.333 3.497 1.00 31.23 H new ATOM 0 HA GLU A 69 20.127 15.108 3.601 1.00 23.15 H new ATOM 0 HB2 GLU A 69 19.228 13.299 2.231 1.00 51.21 H new ATOM 0 HB3 GLU A 69 18.325 13.425 3.727 1.00 51.21 H new ATOM 0 HG2 GLU A 69 16.776 15.010 2.193 1.00 61.53 H new ATOM 0 HG3 GLU A 69 17.462 14.011 0.926 1.00 61.53 H new ATOM 1051 N LEU A 70 18.553 16.788 1.283 1.00 43.12 N ATOM 1052 CA LEU A 70 18.725 17.529 0.038 1.00 63.53 C ATOM 1053 C LEU A 70 18.467 19.017 0.249 1.00 24.03 C ATOM 1054 O LEU A 70 18.113 19.736 -0.685 1.00 60.02 O ATOM 1055 CB LEU A 70 17.783 16.984 -1.037 1.00 31.30 C ATOM 1056 CG LEU A 70 16.335 17.472 -0.970 1.00 63.24 C ATOM 1057 CD1 LEU A 70 15.685 17.403 -2.343 1.00 42.45 C ATOM 1058 CD2 LEU A 70 15.542 16.654 0.038 1.00 25.35 C ATOM 0 H LEU A 70 17.654 16.938 1.742 1.00 43.12 H new ATOM 0 HA LEU A 70 19.756 17.401 -0.292 1.00 63.53 H new ATOM 0 HB2 LEU A 70 18.189 17.246 -2.014 1.00 31.30 H new ATOM 0 HB3 LEU A 70 17.782 15.896 -0.973 1.00 31.30 H new ATOM 0 HG LEU A 70 16.337 18.512 -0.643 1.00 63.24 H new ATOM 0 HD11 LEU A 70 14.655 17.754 -2.276 1.00 42.45 H new ATOM 0 HD12 LEU A 70 16.238 18.033 -3.040 1.00 42.45 H new ATOM 0 HD13 LEU A 70 15.695 16.373 -2.699 1.00 42.45 H new ATOM 0 HD21 LEU A 70 14.514 17.016 0.072 1.00 25.35 H new ATOM 0 HD22 LEU A 70 15.548 15.605 -0.259 1.00 25.35 H new ATOM 0 HD23 LEU A 70 15.995 16.754 1.024 1.00 25.35 H new ATOM 1070 N LYS A 71 18.650 19.474 1.484 1.00 54.15 N ATOM 1071 CA LYS A 71 18.441 20.878 1.819 1.00 75.42 C ATOM 1072 C LYS A 71 18.841 21.780 0.656 1.00 13.20 C ATOM 1073 O LYS A 71 18.290 22.867 0.485 1.00 2.32 O ATOM 1074 CB LYS A 71 19.243 21.250 3.067 1.00 4.12 C ATOM 1075 CG LYS A 71 20.330 20.247 3.413 1.00 31.24 C ATOM 1076 CD LYS A 71 21.619 20.940 3.823 1.00 71.44 C ATOM 1077 CE LYS A 71 22.502 21.231 2.619 1.00 74.23 C ATOM 1078 NZ LYS A 71 23.917 20.836 2.860 1.00 1.44 N ATOM 0 H LYS A 71 18.943 18.892 2.269 1.00 54.15 H new ATOM 0 HA LYS A 71 17.380 21.024 2.020 1.00 75.42 H new ATOM 0 HB2 LYS A 71 19.698 22.229 2.918 1.00 4.12 H new ATOM 0 HB3 LYS A 71 18.562 21.341 3.913 1.00 4.12 H new ATOM 0 HG2 LYS A 71 19.988 19.604 4.224 1.00 31.24 H new ATOM 0 HG3 LYS A 71 20.519 19.603 2.554 1.00 31.24 H new ATOM 0 HD2 LYS A 71 21.385 21.872 4.338 1.00 71.44 H new ATOM 0 HD3 LYS A 71 22.162 20.313 4.530 1.00 71.44 H new ATOM 0 HE2 LYS A 71 22.119 20.696 1.750 1.00 74.23 H new ATOM 0 HE3 LYS A 71 22.457 22.294 2.384 1.00 74.23 H new ATOM 0 HZ1 LYS A 71 24.486 21.051 2.016 1.00 1.44 H new ATOM 0 HZ2 LYS A 71 24.291 21.365 3.674 1.00 1.44 H new ATOM 0 HZ3 LYS A 71 23.964 19.816 3.059 1.00 1.44 H new ATOM 1092 N GLU A 72 19.801 21.321 -0.141 1.00 33.13 N ATOM 1093 CA GLU A 72 20.273 22.088 -1.287 1.00 73.15 C ATOM 1094 C GLU A 72 19.103 22.707 -2.047 1.00 12.23 C ATOM 1095 O GLU A 72 19.267 23.693 -2.765 1.00 52.24 O ATOM 1096 CB GLU A 72 21.088 21.195 -2.225 1.00 43.33 C ATOM 1097 CG GLU A 72 20.263 20.122 -2.914 1.00 72.25 C ATOM 1098 CD GLU A 72 20.860 18.737 -2.758 1.00 33.31 C ATOM 1099 OE1 GLU A 72 21.532 18.492 -1.734 1.00 72.25 O ATOM 1100 OE2 GLU A 72 20.654 17.897 -3.660 1.00 1.42 O ATOM 0 H GLU A 72 20.267 20.422 -0.014 1.00 33.13 H new ATOM 0 HA GLU A 72 20.909 22.892 -0.917 1.00 73.15 H new ATOM 0 HB2 GLU A 72 21.564 21.817 -2.983 1.00 43.33 H new ATOM 0 HB3 GLU A 72 21.886 20.718 -1.656 1.00 43.33 H new ATOM 0 HG2 GLU A 72 19.253 20.126 -2.504 1.00 72.25 H new ATOM 0 HG3 GLU A 72 20.178 20.359 -3.974 1.00 72.25 H new ATOM 1107 N VAL A 73 17.921 22.121 -1.882 1.00 63.20 N ATOM 1108 CA VAL A 73 16.723 22.614 -2.551 1.00 2.25 C ATOM 1109 C VAL A 73 15.958 23.586 -1.660 1.00 11.50 C ATOM 1110 O VAL A 73 15.276 24.487 -2.149 1.00 22.21 O ATOM 1111 CB VAL A 73 15.788 21.458 -2.952 1.00 20.01 C ATOM 1112 CG1 VAL A 73 14.588 21.985 -3.723 1.00 53.13 C ATOM 1113 CG2 VAL A 73 16.544 20.421 -3.769 1.00 51.11 C ATOM 0 H VAL A 73 17.768 21.304 -1.291 1.00 63.20 H new ATOM 0 HA VAL A 73 17.053 23.133 -3.451 1.00 2.25 H new ATOM 0 HB VAL A 73 15.423 20.977 -2.045 1.00 20.01 H new ATOM 0 HG11 VAL A 73 13.939 21.154 -3.998 1.00 53.13 H new ATOM 0 HG12 VAL A 73 14.035 22.687 -3.099 1.00 53.13 H new ATOM 0 HG13 VAL A 73 14.929 22.492 -4.625 1.00 53.13 H new ATOM 0 HG21 VAL A 73 15.868 19.611 -4.044 1.00 51.11 H new ATOM 0 HG22 VAL A 73 16.939 20.887 -4.672 1.00 51.11 H new ATOM 0 HG23 VAL A 73 17.367 20.021 -3.177 1.00 51.11 H new ATOM 1123 N ALA A 74 16.076 23.398 -0.350 1.00 1.54 N ATOM 1124 CA ALA A 74 15.397 24.261 0.610 1.00 24.50 C ATOM 1125 C ALA A 74 16.197 25.533 0.866 1.00 3.32 C ATOM 1126 O ALA A 74 15.723 26.450 1.536 1.00 43.32 O ATOM 1127 CB ALA A 74 15.159 23.513 1.914 1.00 53.51 C ATOM 0 H ALA A 74 16.635 22.656 0.071 1.00 1.54 H new ATOM 0 HA ALA A 74 14.434 24.548 0.187 1.00 24.50 H new ATOM 0 HB1 ALA A 74 14.652 24.168 2.622 1.00 53.51 H new ATOM 0 HB2 ALA A 74 14.540 22.636 1.723 1.00 53.51 H new ATOM 0 HB3 ALA A 74 16.115 23.198 2.332 1.00 53.51 H new ATOM 1133 N GLU A 75 17.413 25.581 0.329 1.00 14.15 N ATOM 1134 CA GLU A 75 18.278 26.742 0.502 1.00 21.14 C ATOM 1135 C GLU A 75 18.321 27.583 -0.770 1.00 63.33 C ATOM 1136 O GLU A 75 18.660 28.766 -0.736 1.00 24.23 O ATOM 1137 CB GLU A 75 19.693 26.299 0.882 1.00 14.14 C ATOM 1138 CG GLU A 75 19.734 25.335 2.056 1.00 11.33 C ATOM 1139 CD GLU A 75 20.477 25.902 3.250 1.00 24.24 C ATOM 1140 OE1 GLU A 75 20.324 27.110 3.525 1.00 14.52 O ATOM 1141 OE2 GLU A 75 21.213 25.138 3.909 1.00 34.44 O ATOM 0 H GLU A 75 17.820 24.830 -0.229 1.00 14.15 H new ATOM 0 HA GLU A 75 17.867 27.352 1.306 1.00 21.14 H new ATOM 0 HB2 GLU A 75 20.161 25.827 0.018 1.00 14.14 H new ATOM 0 HB3 GLU A 75 20.288 27.180 1.125 1.00 14.14 H new ATOM 0 HG2 GLU A 75 18.715 25.085 2.352 1.00 11.33 H new ATOM 0 HG3 GLU A 75 20.212 24.407 1.743 1.00 11.33 H new ATOM 1148 N LYS A 76 17.976 26.963 -1.894 1.00 12.03 N ATOM 1149 CA LYS A 76 17.974 27.652 -3.179 1.00 14.13 C ATOM 1150 C LYS A 76 16.680 28.437 -3.373 1.00 4.32 C ATOM 1151 O LYS A 76 16.639 29.406 -4.132 1.00 72.53 O ATOM 1152 CB LYS A 76 18.149 26.647 -4.320 1.00 11.43 C ATOM 1153 CG LYS A 76 17.052 25.599 -4.381 1.00 31.33 C ATOM 1154 CD LYS A 76 16.041 25.912 -5.470 1.00 54.34 C ATOM 1155 CE LYS A 76 16.312 25.106 -6.732 1.00 1.55 C ATOM 1156 NZ LYS A 76 17.519 25.596 -7.454 1.00 11.34 N ATOM 0 H LYS A 76 17.694 25.984 -1.941 1.00 12.03 H new ATOM 0 HA LYS A 76 18.809 28.353 -3.189 1.00 14.13 H new ATOM 0 HB2 LYS A 76 18.178 27.186 -5.267 1.00 11.43 H new ATOM 0 HB3 LYS A 76 19.111 26.147 -4.209 1.00 11.43 H new ATOM 0 HG2 LYS A 76 17.493 24.619 -4.564 1.00 31.33 H new ATOM 0 HG3 LYS A 76 16.545 25.545 -3.418 1.00 31.33 H new ATOM 0 HD2 LYS A 76 15.036 25.696 -5.108 1.00 54.34 H new ATOM 0 HD3 LYS A 76 16.074 26.976 -5.703 1.00 54.34 H new ATOM 0 HE2 LYS A 76 16.446 24.056 -6.471 1.00 1.55 H new ATOM 0 HE3 LYS A 76 15.446 25.162 -7.392 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 17.670 25.022 -8.308 1.00 11.34 H new ATOM 0 HZ2 LYS A 76 17.381 26.590 -7.726 1.00 11.34 H new ATOM 0 HZ3 LYS A 76 18.350 25.519 -6.833 1.00 11.34 H new ATOM 1170 N TYR A 77 15.628 28.015 -2.681 1.00 71.02 N ATOM 1171 CA TYR A 77 14.333 28.678 -2.779 1.00 2.44 C ATOM 1172 C TYR A 77 14.095 29.587 -1.577 1.00 1.53 C ATOM 1173 O TYR A 77 13.308 30.531 -1.644 1.00 65.23 O ATOM 1174 CB TYR A 77 13.212 27.643 -2.879 1.00 21.54 C ATOM 1175 CG TYR A 77 13.207 26.881 -4.185 1.00 35.54 C ATOM 1176 CD1 TYR A 77 13.617 27.485 -5.366 1.00 53.03 C ATOM 1177 CD2 TYR A 77 12.792 25.555 -4.236 1.00 52.33 C ATOM 1178 CE1 TYR A 77 13.612 26.793 -6.562 1.00 24.33 C ATOM 1179 CE2 TYR A 77 12.786 24.855 -5.427 1.00 35.20 C ATOM 1180 CZ TYR A 77 13.196 25.478 -6.587 1.00 22.11 C ATOM 1181 OH TYR A 77 13.192 24.784 -7.775 1.00 52.45 O ATOM 0 H TYR A 77 15.646 27.217 -2.046 1.00 71.02 H new ATOM 0 HA TYR A 77 14.334 29.290 -3.681 1.00 2.44 H new ATOM 0 HB2 TYR A 77 13.308 26.935 -2.055 1.00 21.54 H new ATOM 0 HB3 TYR A 77 12.253 28.146 -2.758 1.00 21.54 H new ATOM 0 HD1 TYR A 77 13.946 28.514 -5.350 1.00 53.03 H new ATOM 0 HD2 TYR A 77 12.469 25.064 -3.330 1.00 52.33 H new ATOM 0 HE1 TYR A 77 13.932 27.279 -7.472 1.00 24.33 H new ATOM 0 HE2 TYR A 77 12.462 23.825 -5.450 1.00 35.20 H new ATOM 0 HH TYR A 77 12.873 23.871 -7.619 1.00 52.45 H new ATOM 1191 N ASN A 78 14.782 29.296 -0.477 1.00 61.41 N ATOM 1192 CA ASN A 78 14.647 30.086 0.741 1.00 35.11 C ATOM 1193 C ASN A 78 13.424 29.647 1.541 1.00 22.55 C ATOM 1194 O ASN A 78 12.413 30.347 1.585 1.00 33.13 O ATOM 1195 CB ASN A 78 14.539 31.573 0.399 1.00 14.45 C ATOM 1196 CG ASN A 78 14.935 32.464 1.561 1.00 31.34 C ATOM 1197 OD1 ASN A 78 14.198 33.374 1.940 1.00 51.45 O ATOM 1198 ND2 ASN A 78 16.105 32.204 2.134 1.00 73.34 N ATOM 0 H ASN A 78 15.438 28.518 -0.404 1.00 61.41 H new ATOM 0 HA ASN A 78 15.536 29.923 1.351 1.00 35.11 H new ATOM 0 HB2 ASN A 78 15.176 31.793 -0.458 1.00 14.45 H new ATOM 0 HB3 ASN A 78 13.515 31.801 0.102 1.00 14.45 H new ATOM 0 HD21 ASN A 78 16.424 32.769 2.921 1.00 73.34 H new ATOM 0 HD22 ASN A 78 16.684 31.439 1.787 1.00 73.34 H new ATOM 1246 N MET A 82 10.868 24.258 7.421 1.00 72.12 N ATOM 1247 CA MET A 82 9.467 23.926 7.653 1.00 72.04 C ATOM 1248 C MET A 82 8.843 23.303 6.408 1.00 34.42 C ATOM 1249 O MET A 82 9.414 23.329 5.318 1.00 2.20 O ATOM 1250 CB MET A 82 8.685 25.177 8.058 1.00 75.22 C ATOM 1251 CG MET A 82 7.946 25.833 6.902 1.00 21.43 C ATOM 1252 SD MET A 82 8.831 27.252 6.228 1.00 22.44 S ATOM 1253 CE MET A 82 10.099 26.433 5.264 1.00 24.13 C ATOM 0 HA MET A 82 9.421 23.199 8.464 1.00 72.04 H new ATOM 0 HB2 MET A 82 7.967 24.911 8.834 1.00 75.22 H new ATOM 0 HB3 MET A 82 9.373 25.900 8.495 1.00 75.22 H new ATOM 0 HG2 MET A 82 7.790 25.098 6.112 1.00 21.43 H new ATOM 0 HG3 MET A 82 6.960 26.152 7.240 1.00 21.43 H new ATOM 0 HE1 MET A 82 10.243 26.966 4.324 1.00 24.13 H new ATOM 0 HE2 MET A 82 11.034 26.426 5.824 1.00 24.13 H new ATOM 0 HE3 MET A 82 9.793 25.408 5.056 1.00 24.13 H new ATOM 1263 N PRO A 83 7.642 22.727 6.572 1.00 41.40 N ATOM 1264 CA PRO A 83 6.915 22.087 5.472 1.00 33.43 C ATOM 1265 C PRO A 83 6.401 23.096 4.451 1.00 32.03 C ATOM 1266 O PRO A 83 5.286 22.970 3.944 1.00 72.50 O ATOM 1267 CB PRO A 83 5.744 21.395 6.176 1.00 5.23 C ATOM 1268 CG PRO A 83 5.539 22.178 7.427 1.00 23.33 C ATOM 1269 CD PRO A 83 6.902 22.659 7.843 1.00 30.42 C ATOM 0 HA PRO A 83 7.551 21.408 4.904 1.00 33.43 H new ATOM 0 HB2 PRO A 83 4.849 21.401 5.554 1.00 5.23 H new ATOM 0 HB3 PRO A 83 5.974 20.352 6.395 1.00 5.23 H new ATOM 0 HG2 PRO A 83 4.865 23.017 7.256 1.00 23.33 H new ATOM 0 HG3 PRO A 83 5.089 21.561 8.204 1.00 23.33 H new ATOM 0 HD2 PRO A 83 6.853 23.632 8.332 1.00 30.42 H new ATOM 0 HD3 PRO A 83 7.373 21.972 8.546 1.00 30.42 H new ATOM 1277 N THR A 84 7.221 24.099 4.153 1.00 71.01 N ATOM 1278 CA THR A 84 6.849 25.131 3.193 1.00 60.51 C ATOM 1279 C THR A 84 6.442 24.518 1.858 1.00 61.04 C ATOM 1280 O THR A 84 7.185 23.729 1.273 1.00 31.12 O ATOM 1281 CB THR A 84 8.004 26.123 2.959 1.00 33.20 C ATOM 1282 OG1 THR A 84 7.785 27.317 3.719 1.00 61.23 O ATOM 1283 CG2 THR A 84 8.128 26.470 1.483 1.00 0.32 C ATOM 0 H THR A 84 8.147 24.219 4.563 1.00 71.01 H new ATOM 0 HA THR A 84 6.000 25.667 3.618 1.00 60.51 H new ATOM 0 HB THR A 84 8.931 25.651 3.284 1.00 33.20 H new ATOM 0 HG1 THR A 84 7.650 27.085 4.662 1.00 61.23 H new ATOM 0 HG21 THR A 84 8.950 27.172 1.342 1.00 0.32 H new ATOM 0 HG22 THR A 84 8.323 25.563 0.911 1.00 0.32 H new ATOM 0 HG23 THR A 84 7.200 26.924 1.137 1.00 0.32 H new ATOM 1291 N PHE A 85 5.258 24.887 1.379 1.00 25.50 N ATOM 1292 CA PHE A 85 4.753 24.373 0.112 1.00 74.44 C ATOM 1293 C PHE A 85 5.317 25.168 -1.062 1.00 14.31 C ATOM 1294 O PHE A 85 4.611 25.452 -2.031 1.00 21.01 O ATOM 1295 CB PHE A 85 3.224 24.425 0.090 1.00 74.43 C ATOM 1296 CG PHE A 85 2.581 23.085 -0.133 1.00 4.12 C ATOM 1297 CD1 PHE A 85 2.889 22.010 0.685 1.00 0.12 C ATOM 1298 CD2 PHE A 85 1.670 22.901 -1.161 1.00 4.15 C ATOM 1299 CE1 PHE A 85 2.300 20.776 0.483 1.00 14.25 C ATOM 1300 CE2 PHE A 85 1.077 21.670 -1.367 1.00 25.22 C ATOM 1301 CZ PHE A 85 1.393 20.606 -0.545 1.00 24.23 C ATOM 0 H PHE A 85 4.631 25.540 1.849 1.00 25.50 H new ATOM 0 HA PHE A 85 5.076 23.337 0.014 1.00 74.44 H new ATOM 0 HB2 PHE A 85 2.869 24.837 1.035 1.00 74.43 H new ATOM 0 HB3 PHE A 85 2.903 25.108 -0.696 1.00 74.43 H new ATOM 0 HD1 PHE A 85 3.598 22.138 1.490 1.00 0.12 H new ATOM 0 HD2 PHE A 85 1.421 23.729 -1.808 1.00 4.15 H new ATOM 0 HE1 PHE A 85 2.548 19.946 1.128 1.00 14.25 H new ATOM 0 HE2 PHE A 85 0.367 21.540 -2.170 1.00 25.22 H new ATOM 0 HZ PHE A 85 0.932 19.643 -0.706 1.00 24.23 H new ATOM 1311 N LEU A 86 6.592 25.526 -0.967 1.00 65.04 N ATOM 1312 CA LEU A 86 7.253 26.290 -2.020 1.00 70.23 C ATOM 1313 C LEU A 86 6.685 25.932 -3.390 1.00 43.32 C ATOM 1314 O LEU A 86 6.349 24.777 -3.652 1.00 52.43 O ATOM 1315 CB LEU A 86 8.760 26.030 -1.997 1.00 3.43 C ATOM 1316 CG LEU A 86 9.654 27.243 -2.261 1.00 62.50 C ATOM 1317 CD1 LEU A 86 9.040 28.136 -3.327 1.00 40.33 C ATOM 1318 CD2 LEU A 86 9.886 28.024 -0.976 1.00 43.33 C ATOM 0 H LEU A 86 7.189 25.300 -0.172 1.00 65.04 H new ATOM 0 HA LEU A 86 7.070 27.349 -1.836 1.00 70.23 H new ATOM 0 HB2 LEU A 86 9.022 25.615 -1.024 1.00 3.43 H new ATOM 0 HB3 LEU A 86 8.988 25.267 -2.741 1.00 3.43 H new ATOM 0 HG LEU A 86 10.618 26.888 -2.625 1.00 62.50 H new ATOM 0 HD11 LEU A 86 9.690 28.994 -3.502 1.00 40.33 H new ATOM 0 HD12 LEU A 86 8.927 27.572 -4.253 1.00 40.33 H new ATOM 0 HD13 LEU A 86 8.063 28.483 -2.992 1.00 40.33 H new ATOM 0 HD21 LEU A 86 10.524 28.883 -1.183 1.00 43.33 H new ATOM 0 HD22 LEU A 86 8.930 28.368 -0.582 1.00 43.33 H new ATOM 0 HD23 LEU A 86 10.371 27.381 -0.242 1.00 43.33 H new ATOM 1330 N PHE A 87 6.584 26.930 -4.262 1.00 15.55 N ATOM 1331 CA PHE A 87 6.058 26.721 -5.606 1.00 11.44 C ATOM 1332 C PHE A 87 7.080 27.135 -6.660 1.00 4.11 C ATOM 1333 O PHE A 87 7.874 28.052 -6.444 1.00 55.04 O ATOM 1334 CB PHE A 87 4.762 27.512 -5.798 1.00 71.30 C ATOM 1335 CG PHE A 87 3.607 26.971 -5.004 1.00 51.44 C ATOM 1336 CD1 PHE A 87 3.576 27.101 -3.625 1.00 71.13 C ATOM 1337 CD2 PHE A 87 2.552 26.334 -5.638 1.00 23.45 C ATOM 1338 CE1 PHE A 87 2.514 26.605 -2.892 1.00 3.21 C ATOM 1339 CE2 PHE A 87 1.488 25.836 -4.910 1.00 11.35 C ATOM 1340 CZ PHE A 87 1.469 25.971 -3.535 1.00 44.10 C ATOM 0 H PHE A 87 6.860 27.891 -4.062 1.00 15.55 H new ATOM 0 HA PHE A 87 5.848 25.658 -5.726 1.00 11.44 H new ATOM 0 HB2 PHE A 87 4.934 28.550 -5.514 1.00 71.30 H new ATOM 0 HB3 PHE A 87 4.498 27.511 -6.856 1.00 71.30 H new ATOM 0 HD1 PHE A 87 4.391 27.595 -3.117 1.00 71.13 H new ATOM 0 HD2 PHE A 87 2.561 26.226 -6.713 1.00 23.45 H new ATOM 0 HE1 PHE A 87 2.502 26.713 -1.818 1.00 3.21 H new ATOM 0 HE2 PHE A 87 0.672 25.342 -5.416 1.00 11.35 H new ATOM 0 HZ PHE A 87 0.639 25.582 -2.964 1.00 44.10 H new ATOM 1350 N ILE A 88 7.056 26.452 -7.799 1.00 53.14 N ATOM 1351 CA ILE A 88 7.980 26.748 -8.887 1.00 55.42 C ATOM 1352 C ILE A 88 7.243 26.863 -10.218 1.00 3.13 C ATOM 1353 O ILE A 88 7.343 25.983 -11.073 1.00 52.32 O ATOM 1354 CB ILE A 88 9.071 25.669 -9.009 1.00 30.42 C ATOM 1355 CG1 ILE A 88 9.613 25.303 -7.626 1.00 24.23 C ATOM 1356 CG2 ILE A 88 10.195 26.151 -9.914 1.00 13.02 C ATOM 1357 CD1 ILE A 88 10.494 26.373 -7.020 1.00 21.14 C ATOM 0 H ILE A 88 6.407 25.690 -7.993 1.00 53.14 H new ATOM 0 HA ILE A 88 8.450 27.703 -8.651 1.00 55.42 H new ATOM 0 HB ILE A 88 8.631 24.777 -9.454 1.00 30.42 H new ATOM 0 HG12 ILE A 88 8.775 25.111 -6.956 1.00 24.23 H new ATOM 0 HG13 ILE A 88 10.181 24.376 -7.701 1.00 24.23 H new ATOM 0 HG21 ILE A 88 10.958 25.377 -9.990 1.00 13.02 H new ATOM 0 HG22 ILE A 88 9.797 26.366 -10.906 1.00 13.02 H new ATOM 0 HG23 ILE A 88 10.636 27.056 -9.496 1.00 13.02 H new ATOM 0 HD11 ILE A 88 10.842 26.046 -6.040 1.00 21.14 H new ATOM 0 HD12 ILE A 88 11.351 26.549 -7.670 1.00 21.14 H new ATOM 0 HD13 ILE A 88 9.924 27.296 -6.913 1.00 21.14 H new ATOM 1369 N LYS A 89 6.505 27.955 -10.387 1.00 30.22 N ATOM 1370 CA LYS A 89 5.753 28.188 -11.614 1.00 45.32 C ATOM 1371 C LYS A 89 6.682 28.609 -12.749 1.00 11.21 C ATOM 1372 O LYS A 89 7.408 29.597 -12.635 1.00 60.14 O ATOM 1373 CB LYS A 89 4.688 29.263 -11.388 1.00 11.14 C ATOM 1374 CG LYS A 89 3.911 29.624 -12.642 1.00 64.21 C ATOM 1375 CD LYS A 89 3.166 30.938 -12.478 1.00 33.40 C ATOM 1376 CE LYS A 89 1.986 30.794 -11.528 1.00 43.13 C ATOM 1377 NZ LYS A 89 0.685 30.977 -12.229 1.00 11.24 N ATOM 0 H LYS A 89 6.412 28.693 -9.689 1.00 30.22 H new ATOM 0 HA LYS A 89 5.264 27.255 -11.894 1.00 45.32 H new ATOM 0 HB2 LYS A 89 3.990 28.916 -10.626 1.00 11.14 H new ATOM 0 HB3 LYS A 89 5.167 30.160 -10.997 1.00 11.14 H new ATOM 0 HG2 LYS A 89 4.596 29.696 -13.487 1.00 64.21 H new ATOM 0 HG3 LYS A 89 3.202 28.829 -12.873 1.00 64.21 H new ATOM 0 HD2 LYS A 89 3.848 31.700 -12.100 1.00 33.40 H new ATOM 0 HD3 LYS A 89 2.812 31.281 -13.450 1.00 33.40 H new ATOM 0 HE2 LYS A 89 2.012 29.809 -11.063 1.00 43.13 H new ATOM 0 HE3 LYS A 89 2.073 31.528 -10.727 1.00 43.13 H new ATOM 0 HZ1 LYS A 89 -0.081 31.041 -11.528 1.00 11.24 H new ATOM 0 HZ2 LYS A 89 0.714 31.851 -12.791 1.00 11.24 H new ATOM 0 HZ3 LYS A 89 0.512 30.167 -12.858 1.00 11.24 H new ATOM 1391 N ASP A 90 6.652 27.855 -13.842 1.00 42.01 N ATOM 1392 CA ASP A 90 7.489 28.152 -14.999 1.00 24.34 C ATOM 1393 C ASP A 90 8.895 27.588 -14.811 1.00 53.51 C ATOM 1394 O ASP A 90 9.693 27.560 -15.747 1.00 1.35 O ATOM 1395 CB ASP A 90 7.559 29.662 -15.231 1.00 73.10 C ATOM 1396 CG ASP A 90 7.801 30.013 -16.686 1.00 4.34 C ATOM 1397 OD1 ASP A 90 8.949 29.854 -17.150 1.00 44.33 O ATOM 1398 OD2 ASP A 90 6.844 30.448 -17.359 1.00 53.22 O ATOM 0 H ASP A 90 6.057 27.034 -13.951 1.00 42.01 H new ATOM 0 HA ASP A 90 7.040 27.679 -15.872 1.00 24.34 H new ATOM 0 HB2 ASP A 90 6.628 30.121 -14.899 1.00 73.10 H new ATOM 0 HB3 ASP A 90 8.357 30.084 -14.621 1.00 73.10 H new ATOM 1403 N GLY A 91 9.190 27.141 -13.594 1.00 42.32 N ATOM 1404 CA GLY A 91 10.500 26.586 -13.306 1.00 14.24 C ATOM 1405 C GLY A 91 11.404 27.573 -12.594 1.00 33.00 C ATOM 1406 O GLY A 91 12.590 27.674 -12.905 1.00 21.10 O ATOM 0 H GLY A 91 8.546 27.153 -12.803 1.00 42.32 H new ATOM 0 HA2 GLY A 91 10.386 25.693 -12.691 1.00 14.24 H new ATOM 0 HA3 GLY A 91 10.971 26.273 -14.238 1.00 14.24 H new ATOM 1410 N ALA A 92 10.842 28.304 -11.637 1.00 11.21 N ATOM 1411 CA ALA A 92 11.606 29.288 -10.879 1.00 75.32 C ATOM 1412 C ALA A 92 11.091 29.398 -9.448 1.00 51.20 C ATOM 1413 O ALA A 92 11.613 28.753 -8.540 1.00 24.21 O ATOM 1414 CB ALA A 92 11.551 30.643 -11.568 1.00 54.21 C ATOM 0 H ALA A 92 9.861 28.234 -11.368 1.00 11.21 H new ATOM 0 HA ALA A 92 12.643 28.955 -10.839 1.00 75.32 H new ATOM 0 HB1 ALA A 92 12.125 31.368 -10.991 1.00 54.21 H new ATOM 0 HB2 ALA A 92 11.973 30.559 -12.569 1.00 54.21 H new ATOM 0 HB3 ALA A 92 10.515 30.974 -11.638 1.00 54.21 H new ATOM 1420 N GLU A 93 10.065 30.221 -9.255 1.00 35.32 N ATOM 1421 CA GLU A 93 9.481 30.416 -7.933 1.00 23.03 C ATOM 1422 C GLU A 93 8.263 31.332 -8.005 1.00 71.24 C ATOM 1423 O GLU A 93 8.386 32.525 -8.280 1.00 14.11 O ATOM 1424 CB GLU A 93 10.519 31.005 -6.975 1.00 22.20 C ATOM 1425 CG GLU A 93 10.262 30.666 -5.516 1.00 44.41 C ATOM 1426 CD GLU A 93 11.510 30.780 -4.662 1.00 44.44 C ATOM 1427 OE1 GLU A 93 12.622 30.647 -5.216 1.00 73.45 O ATOM 1428 OE2 GLU A 93 11.376 31.003 -3.441 1.00 62.11 O ATOM 0 H GLU A 93 9.621 30.763 -9.997 1.00 35.32 H new ATOM 0 HA GLU A 93 9.161 29.444 -7.559 1.00 23.03 H new ATOM 0 HB2 GLU A 93 11.507 30.641 -7.255 1.00 22.20 H new ATOM 0 HB3 GLU A 93 10.534 32.089 -7.090 1.00 22.20 H new ATOM 0 HG2 GLU A 93 9.494 31.332 -5.122 1.00 44.41 H new ATOM 0 HG3 GLU A 93 9.870 29.651 -5.446 1.00 44.41 H new ATOM 1435 N ALA A 94 7.087 30.763 -7.758 1.00 3.52 N ATOM 1436 CA ALA A 94 5.847 31.528 -7.794 1.00 33.25 C ATOM 1437 C ALA A 94 5.446 31.990 -6.397 1.00 30.44 C ATOM 1438 O ALA A 94 4.813 33.033 -6.235 1.00 43.41 O ATOM 1439 CB ALA A 94 4.734 30.699 -8.417 1.00 33.41 C ATOM 0 H ALA A 94 6.968 29.776 -7.531 1.00 3.52 H new ATOM 0 HA ALA A 94 6.013 32.414 -8.407 1.00 33.25 H new ATOM 0 HB1 ALA A 94 3.814 31.283 -8.438 1.00 33.41 H new ATOM 0 HB2 ALA A 94 5.012 30.423 -9.434 1.00 33.41 H new ATOM 0 HB3 ALA A 94 4.578 29.796 -7.826 1.00 33.41 H new ATOM 1445 N ASP A 95 5.817 31.206 -5.390 1.00 64.14 N ATOM 1446 CA ASP A 95 5.497 31.535 -4.006 1.00 72.13 C ATOM 1447 C ASP A 95 5.549 30.290 -3.126 1.00 10.32 C ATOM 1448 O ASP A 95 5.818 29.188 -3.605 1.00 12.33 O ATOM 1449 CB ASP A 95 4.112 32.178 -3.920 1.00 52.12 C ATOM 1450 CG ASP A 95 4.179 33.691 -3.858 1.00 40.32 C ATOM 1451 OD1 ASP A 95 5.082 34.218 -3.175 1.00 3.01 O ATOM 1452 OD2 ASP A 95 3.329 34.349 -4.494 1.00 0.03 O ATOM 0 H ASP A 95 6.340 30.338 -5.507 1.00 64.14 H new ATOM 0 HA ASP A 95 6.242 32.245 -3.645 1.00 72.13 H new ATOM 0 HB2 ASP A 95 3.521 31.879 -4.786 1.00 52.12 H new ATOM 0 HB3 ASP A 95 3.595 31.804 -3.036 1.00 52.12 H new ATOM 1457 N LYS A 96 5.291 30.474 -1.835 1.00 62.43 N ATOM 1458 CA LYS A 96 5.308 29.367 -0.886 1.00 62.44 C ATOM 1459 C LYS A 96 4.093 29.421 0.035 1.00 64.24 C ATOM 1460 O LYS A 96 3.355 30.406 0.048 1.00 62.13 O ATOM 1461 CB LYS A 96 6.593 29.400 -0.056 1.00 21.42 C ATOM 1462 CG LYS A 96 6.681 30.592 0.881 1.00 64.01 C ATOM 1463 CD LYS A 96 7.689 31.616 0.386 1.00 14.41 C ATOM 1464 CE LYS A 96 9.091 31.308 0.889 1.00 75.32 C ATOM 1465 NZ LYS A 96 9.868 32.548 1.160 1.00 42.41 N ATOM 0 H LYS A 96 5.068 31.380 -1.422 1.00 62.43 H new ATOM 0 HA LYS A 96 5.272 28.436 -1.451 1.00 62.44 H new ATOM 0 HB2 LYS A 96 6.661 28.483 0.529 1.00 21.42 H new ATOM 0 HB3 LYS A 96 7.450 29.413 -0.729 1.00 21.42 H new ATOM 0 HG2 LYS A 96 5.700 31.059 0.970 1.00 64.01 H new ATOM 0 HG3 LYS A 96 6.965 30.253 1.877 1.00 64.01 H new ATOM 0 HD2 LYS A 96 7.688 31.632 -0.704 1.00 14.41 H new ATOM 0 HD3 LYS A 96 7.392 32.610 0.719 1.00 14.41 H new ATOM 0 HE2 LYS A 96 9.027 30.713 1.800 1.00 75.32 H new ATOM 0 HE3 LYS A 96 9.617 30.704 0.150 1.00 75.32 H new ATOM 0 HZ1 LYS A 96 10.817 32.295 1.501 1.00 42.41 H new ATOM 0 HZ2 LYS A 96 9.951 33.104 0.285 1.00 42.41 H new ATOM 0 HZ3 LYS A 96 9.379 33.113 1.884 1.00 42.41 H new ATOM 1479 N VAL A 97 3.893 28.356 0.805 1.00 14.30 N ATOM 1480 CA VAL A 97 2.769 28.284 1.731 1.00 11.02 C ATOM 1481 C VAL A 97 3.173 27.603 3.034 1.00 63.02 C ATOM 1482 O VAL A 97 3.794 28.217 3.902 1.00 54.42 O ATOM 1483 CB VAL A 97 1.581 27.523 1.114 1.00 72.51 C ATOM 1484 CG1 VAL A 97 0.518 27.247 2.167 1.00 51.15 C ATOM 1485 CG2 VAL A 97 0.997 28.303 -0.054 1.00 12.43 C ATOM 0 H VAL A 97 4.494 27.532 0.806 1.00 14.30 H new ATOM 0 HA VAL A 97 2.465 29.310 1.939 1.00 11.02 H new ATOM 0 HB VAL A 97 1.942 26.566 0.737 1.00 72.51 H new ATOM 0 HG11 VAL A 97 -0.314 26.709 1.712 1.00 51.15 H new ATOM 0 HG12 VAL A 97 0.947 26.644 2.967 1.00 51.15 H new ATOM 0 HG13 VAL A 97 0.158 28.191 2.577 1.00 51.15 H new ATOM 0 HG21 VAL A 97 0.159 27.750 -0.478 1.00 12.43 H new ATOM 0 HG22 VAL A 97 0.651 29.276 0.295 1.00 12.43 H new ATOM 0 HG23 VAL A 97 1.762 28.443 -0.817 1.00 12.43 H new ATOM 1495 N VAL A 98 2.818 26.329 3.164 1.00 21.31 N ATOM 1496 CA VAL A 98 3.145 25.562 4.360 1.00 4.35 C ATOM 1497 C VAL A 98 2.334 24.273 4.427 1.00 52.44 C ATOM 1498 O VAL A 98 1.140 24.263 4.129 1.00 42.05 O ATOM 1499 CB VAL A 98 2.891 26.382 5.639 1.00 1.33 C ATOM 1500 CG1 VAL A 98 2.272 25.509 6.720 1.00 63.42 C ATOM 1501 CG2 VAL A 98 4.183 27.017 6.130 1.00 24.04 C ATOM 0 H VAL A 98 2.304 25.806 2.455 1.00 21.31 H new ATOM 0 HA VAL A 98 4.205 25.317 4.298 1.00 4.35 H new ATOM 0 HB VAL A 98 2.187 27.180 5.404 1.00 1.33 H new ATOM 0 HG11 VAL A 98 2.100 26.106 7.616 1.00 63.42 H new ATOM 0 HG12 VAL A 98 1.323 25.107 6.364 1.00 63.42 H new ATOM 0 HG13 VAL A 98 2.948 24.688 6.956 1.00 63.42 H new ATOM 0 HG21 VAL A 98 3.985 27.592 7.034 1.00 24.04 H new ATOM 0 HG22 VAL A 98 4.912 26.237 6.349 1.00 24.04 H new ATOM 0 HG23 VAL A 98 4.580 27.678 5.359 1.00 24.04 H new ATOM 1511 N GLY A 99 2.990 23.186 4.820 1.00 5.32 N ATOM 1512 CA GLY A 99 2.314 21.906 4.919 1.00 41.10 C ATOM 1513 C GLY A 99 1.597 21.730 6.243 1.00 62.22 C ATOM 1514 O GLY A 99 1.741 20.700 6.902 1.00 51.52 O ATOM 0 H GLY A 99 3.978 23.169 5.072 1.00 5.32 H new ATOM 0 HA2 GLY A 99 1.595 21.814 4.105 1.00 41.10 H new ATOM 0 HA3 GLY A 99 3.041 21.104 4.794 1.00 41.10 H new ATOM 1518 N ALA A 100 0.824 22.737 6.634 1.00 0.41 N ATOM 1519 CA ALA A 100 0.082 22.689 7.888 1.00 60.22 C ATOM 1520 C ALA A 100 -1.087 23.668 7.872 1.00 2.02 C ATOM 1521 O ALA A 100 -1.630 24.017 8.920 1.00 13.23 O ATOM 1522 CB ALA A 100 1.006 22.985 9.060 1.00 50.33 C ATOM 0 H ALA A 100 0.695 23.597 6.100 1.00 0.41 H new ATOM 0 HA ALA A 100 -0.322 21.683 8.004 1.00 60.22 H new ATOM 0 HB1 ALA A 100 0.438 22.946 9.990 1.00 50.33 H new ATOM 0 HB2 ALA A 100 1.804 22.243 9.090 1.00 50.33 H new ATOM 0 HB3 ALA A 100 1.438 23.978 8.941 1.00 50.33 H new ATOM 1528 N ARG A 101 -1.468 24.108 6.678 1.00 52.14 N ATOM 1529 CA ARG A 101 -2.572 25.049 6.527 1.00 64.15 C ATOM 1530 C ARG A 101 -3.584 24.540 5.505 1.00 71.13 C ATOM 1531 O ARG A 101 -3.378 24.661 4.297 1.00 70.52 O ATOM 1532 CB ARG A 101 -2.046 26.420 6.099 1.00 4.55 C ATOM 1533 CG ARG A 101 -1.889 27.399 7.252 1.00 34.22 C ATOM 1534 CD ARG A 101 -0.926 26.871 8.304 1.00 41.31 C ATOM 1535 NE ARG A 101 -0.330 27.948 9.090 1.00 51.53 N ATOM 1536 CZ ARG A 101 -0.959 28.569 10.082 1.00 62.30 C ATOM 1537 NH1 ARG A 101 -2.196 28.220 10.408 1.00 4.02 N ATOM 1538 NH2 ARG A 101 -0.350 29.540 10.751 1.00 62.34 N ATOM 0 H ARG A 101 -1.029 23.828 5.801 1.00 52.14 H new ATOM 0 HA ARG A 101 -3.071 25.143 7.492 1.00 64.15 H new ATOM 0 HB2 ARG A 101 -1.081 26.293 5.608 1.00 4.55 H new ATOM 0 HB3 ARG A 101 -2.726 26.846 5.361 1.00 4.55 H new ATOM 0 HG2 ARG A 101 -1.527 28.355 6.873 1.00 34.22 H new ATOM 0 HG3 ARG A 101 -2.861 27.585 7.708 1.00 34.22 H new ATOM 0 HD2 ARG A 101 -1.454 26.187 8.968 1.00 41.31 H new ATOM 0 HD3 ARG A 101 -0.137 26.297 7.818 1.00 41.31 H new ATOM 0 HE ARG A 101 0.621 28.239 8.865 1.00 51.53 H new ATOM 0 HH11 ARG A 101 -2.667 27.473 9.897 1.00 4.02 H new ATOM 0 HH12 ARG A 101 -2.677 28.698 11.170 1.00 4.02 H new ATOM 0 HH21 ARG A 101 0.602 29.810 10.504 1.00 62.34 H new ATOM 0 HH22 ARG A 101 -0.834 30.016 11.512 1.00 62.34 H new ATOM 1552 N LYS A 102 -4.678 23.970 5.997 1.00 35.23 N ATOM 1553 CA LYS A 102 -5.724 23.442 5.129 1.00 53.52 C ATOM 1554 C LYS A 102 -6.562 24.572 4.538 1.00 43.20 C ATOM 1555 O LYS A 102 -7.547 24.328 3.841 1.00 44.23 O ATOM 1556 CB LYS A 102 -6.624 22.479 5.906 1.00 10.34 C ATOM 1557 CG LYS A 102 -7.117 21.305 5.078 1.00 13.34 C ATOM 1558 CD LYS A 102 -8.432 21.624 4.387 1.00 35.13 C ATOM 1559 CE LYS A 102 -9.505 20.603 4.733 1.00 34.20 C ATOM 1560 NZ LYS A 102 -10.445 21.114 5.769 1.00 2.41 N ATOM 0 H LYS A 102 -4.864 23.862 6.994 1.00 35.23 H new ATOM 0 HA LYS A 102 -5.245 22.902 4.312 1.00 53.52 H new ATOM 0 HB2 LYS A 102 -6.077 22.100 6.769 1.00 10.34 H new ATOM 0 HB3 LYS A 102 -7.484 23.028 6.290 1.00 10.34 H new ATOM 0 HG2 LYS A 102 -6.367 21.044 4.332 1.00 13.34 H new ATOM 0 HG3 LYS A 102 -7.244 20.433 5.720 1.00 13.34 H new ATOM 0 HD2 LYS A 102 -8.767 22.619 4.681 1.00 35.13 H new ATOM 0 HD3 LYS A 102 -8.282 21.644 3.308 1.00 35.13 H new ATOM 0 HE2 LYS A 102 -10.063 20.344 3.833 1.00 34.20 H new ATOM 0 HE3 LYS A 102 -9.033 19.688 5.091 1.00 34.20 H new ATOM 0 HZ1 LYS A 102 -11.161 20.388 5.977 1.00 2.41 H new ATOM 0 HZ2 LYS A 102 -9.917 21.338 6.637 1.00 2.41 H new ATOM 0 HZ3 LYS A 102 -10.915 21.973 5.418 1.00 2.41 H new ATOM 1574 N ASP A 103 -6.163 25.808 4.820 1.00 33.40 N ATOM 1575 CA ASP A 103 -6.876 26.975 4.314 1.00 1.11 C ATOM 1576 C ASP A 103 -5.950 27.860 3.485 1.00 21.05 C ATOM 1577 O ASP A 103 -6.392 28.825 2.861 1.00 23.22 O ATOM 1578 CB ASP A 103 -7.468 27.779 5.473 1.00 52.15 C ATOM 1579 CG ASP A 103 -6.415 28.561 6.232 1.00 11.54 C ATOM 1580 OD1 ASP A 103 -5.734 29.401 5.607 1.00 21.52 O ATOM 1581 OD2 ASP A 103 -6.272 28.334 7.452 1.00 4.01 O ATOM 0 H ASP A 103 -5.350 26.027 5.396 1.00 33.40 H new ATOM 0 HA ASP A 103 -7.686 26.626 3.673 1.00 1.11 H new ATOM 0 HB2 ASP A 103 -8.220 28.467 5.087 1.00 52.15 H new ATOM 0 HB3 ASP A 103 -7.978 27.102 6.158 1.00 52.15 H new ATOM 1586 N ASP A 104 -4.664 27.526 3.485 1.00 33.54 N ATOM 1587 CA ASP A 104 -3.676 28.290 2.734 1.00 65.43 C ATOM 1588 C ASP A 104 -3.103 27.460 1.589 1.00 61.40 C ATOM 1589 O ASP A 104 -2.479 27.995 0.671 1.00 34.33 O ATOM 1590 CB ASP A 104 -2.548 28.753 3.657 1.00 12.54 C ATOM 1591 CG ASP A 104 -2.110 30.176 3.368 1.00 75.23 C ATOM 1592 OD1 ASP A 104 -1.929 30.510 2.178 1.00 31.43 O ATOM 1593 OD2 ASP A 104 -1.949 30.955 4.330 1.00 25.14 O ATOM 0 H ASP A 104 -4.282 26.731 3.997 1.00 33.54 H new ATOM 0 HA ASP A 104 -4.173 29.164 2.313 1.00 65.43 H new ATOM 0 HB2 ASP A 104 -2.878 28.681 4.693 1.00 12.54 H new ATOM 0 HB3 ASP A 104 -1.695 28.084 3.547 1.00 12.54 H new ATOM 1598 N LEU A 105 -3.317 26.150 1.650 1.00 55.12 N ATOM 1599 CA LEU A 105 -2.822 25.245 0.619 1.00 61.14 C ATOM 1600 C LEU A 105 -3.679 25.332 -0.640 1.00 42.33 C ATOM 1601 O LEU A 105 -3.279 25.939 -1.633 1.00 43.22 O ATOM 1602 CB LEU A 105 -2.806 23.807 1.140 1.00 62.35 C ATOM 1603 CG LEU A 105 -2.758 22.708 0.077 1.00 55.42 C ATOM 1604 CD1 LEU A 105 -1.370 22.620 -0.538 1.00 54.44 C ATOM 1605 CD2 LEU A 105 -3.165 21.369 0.675 1.00 4.41 C ATOM 0 H LEU A 105 -3.830 25.691 2.403 1.00 55.12 H new ATOM 0 HA LEU A 105 -1.805 25.545 0.365 1.00 61.14 H new ATOM 0 HB2 LEU A 105 -1.943 23.689 1.795 1.00 62.35 H new ATOM 0 HB3 LEU A 105 -3.695 23.654 1.752 1.00 62.35 H new ATOM 0 HG LEU A 105 -3.467 22.961 -0.712 1.00 55.42 H new ATOM 0 HD11 LEU A 105 -1.355 21.833 -1.292 1.00 54.44 H new ATOM 0 HD12 LEU A 105 -1.117 23.573 -1.003 1.00 54.44 H new ATOM 0 HD13 LEU A 105 -0.641 22.391 0.240 1.00 54.44 H new ATOM 0 HD21 LEU A 105 -3.125 20.599 -0.096 1.00 4.41 H new ATOM 0 HD22 LEU A 105 -2.482 21.109 1.484 1.00 4.41 H new ATOM 0 HD23 LEU A 105 -4.180 21.439 1.066 1.00 4.41 H new ATOM 1617 N GLN A 106 -4.859 24.724 -0.590 1.00 33.23 N ATOM 1618 CA GLN A 106 -5.773 24.735 -1.726 1.00 30.40 C ATOM 1619 C GLN A 106 -5.952 26.149 -2.267 1.00 13.31 C ATOM 1620 O GLN A 106 -6.197 26.343 -3.457 1.00 31.31 O ATOM 1621 CB GLN A 106 -7.130 24.155 -1.322 1.00 64.41 C ATOM 1622 CG GLN A 106 -7.836 24.955 -0.240 1.00 2.40 C ATOM 1623 CD GLN A 106 -6.909 25.350 0.893 1.00 43.55 C ATOM 1624 OE1 GLN A 106 -6.674 26.535 1.133 1.00 24.03 O ATOM 1625 NE2 GLN A 106 -6.376 24.358 1.596 1.00 71.24 N ATOM 0 H GLN A 106 -5.205 24.217 0.225 1.00 33.23 H new ATOM 0 HA GLN A 106 -5.341 24.117 -2.513 1.00 30.40 H new ATOM 0 HB2 GLN A 106 -7.771 24.105 -2.202 1.00 64.41 H new ATOM 0 HB3 GLN A 106 -6.989 23.132 -0.972 1.00 64.41 H new ATOM 0 HG2 GLN A 106 -8.268 25.853 -0.681 1.00 2.40 H new ATOM 0 HG3 GLN A 106 -8.662 24.368 0.160 1.00 2.40 H new ATOM 0 HE21 GLN A 106 -6.598 23.390 1.362 1.00 71.24 H new ATOM 0 HE22 GLN A 106 -5.744 24.563 2.370 1.00 71.24 H new ATOM 1634 N ASN A 107 -5.829 27.135 -1.384 1.00 41.11 N ATOM 1635 CA ASN A 107 -5.978 28.533 -1.773 1.00 74.32 C ATOM 1636 C ASN A 107 -4.841 28.966 -2.693 1.00 61.11 C ATOM 1637 O ASN A 107 -5.026 29.804 -3.576 1.00 60.14 O ATOM 1638 CB ASN A 107 -6.015 29.428 -0.533 1.00 33.10 C ATOM 1639 CG ASN A 107 -5.591 30.852 -0.835 1.00 43.11 C ATOM 1640 OD1 ASN A 107 -6.330 31.613 -1.459 1.00 74.02 O ATOM 1641 ND2 ASN A 107 -4.394 31.219 -0.392 1.00 64.04 N ATOM 0 H ASN A 107 -5.627 26.992 -0.395 1.00 41.11 H new ATOM 0 HA ASN A 107 -6.918 28.635 -2.315 1.00 74.32 H new ATOM 0 HB2 ASN A 107 -7.024 29.432 -0.121 1.00 33.10 H new ATOM 0 HB3 ASN A 107 -5.360 29.011 0.232 1.00 33.10 H new ATOM 0 HD21 ASN A 107 -4.054 32.165 -0.565 1.00 64.04 H new ATOM 0 HD22 ASN A 107 -3.814 30.555 0.121 1.00 64.04 H new ATOM 1648 N THR A 108 -3.662 28.388 -2.480 1.00 54.54 N ATOM 1649 CA THR A 108 -2.495 28.714 -3.289 1.00 45.41 C ATOM 1650 C THR A 108 -2.480 27.909 -4.583 1.00 42.13 C ATOM 1651 O THR A 108 -2.190 28.443 -5.654 1.00 44.12 O ATOM 1652 CB THR A 108 -1.187 28.451 -2.519 1.00 43.00 C ATOM 1653 OG1 THR A 108 -1.001 29.452 -1.512 1.00 33.22 O ATOM 1654 CG2 THR A 108 0.006 28.448 -3.463 1.00 71.43 C ATOM 0 H THR A 108 -3.491 27.692 -1.754 1.00 54.54 H new ATOM 0 HA THR A 108 -2.562 29.776 -3.526 1.00 45.41 H new ATOM 0 HB THR A 108 -1.260 27.471 -2.048 1.00 43.00 H new ATOM 0 HG1 THR A 108 -1.443 29.169 -0.684 1.00 33.22 H new ATOM 0 HG21 THR A 108 0.918 28.260 -2.896 1.00 71.43 H new ATOM 0 HG22 THR A 108 -0.124 27.666 -4.211 1.00 71.43 H new ATOM 0 HG23 THR A 108 0.080 29.416 -3.959 1.00 71.43 H new ATOM 1662 N ILE A 109 -2.795 26.623 -4.478 1.00 20.42 N ATOM 1663 CA ILE A 109 -2.820 25.745 -5.641 1.00 65.31 C ATOM 1664 C ILE A 109 -3.822 26.236 -6.680 1.00 11.24 C ATOM 1665 O ILE A 109 -3.672 25.979 -7.874 1.00 62.40 O ATOM 1666 CB ILE A 109 -3.173 24.298 -5.247 1.00 44.24 C ATOM 1667 CG1 ILE A 109 -1.965 23.613 -4.604 1.00 74.52 C ATOM 1668 CG2 ILE A 109 -3.645 23.518 -6.465 1.00 50.22 C ATOM 1669 CD1 ILE A 109 -1.815 23.913 -3.129 1.00 62.13 C ATOM 0 H ILE A 109 -3.037 26.165 -3.599 1.00 20.42 H new ATOM 0 HA ILE A 109 -1.818 25.762 -6.070 1.00 65.31 H new ATOM 0 HB ILE A 109 -3.984 24.322 -4.519 1.00 44.24 H new ATOM 0 HG12 ILE A 109 -2.054 22.535 -4.740 1.00 74.52 H new ATOM 0 HG13 ILE A 109 -1.060 23.927 -5.124 1.00 74.52 H new ATOM 0 HG21 ILE A 109 -3.891 22.498 -6.171 1.00 50.22 H new ATOM 0 HG22 ILE A 109 -4.529 23.998 -6.884 1.00 50.22 H new ATOM 0 HG23 ILE A 109 -2.853 23.499 -7.214 1.00 50.22 H new ATOM 0 HD11 ILE A 109 -0.939 23.395 -2.740 1.00 62.13 H new ATOM 0 HD12 ILE A 109 -1.695 24.987 -2.987 1.00 62.13 H new ATOM 0 HD13 ILE A 109 -2.704 23.574 -2.597 1.00 62.13 H new ATOM 1681 N VAL A 110 -4.845 26.947 -6.216 1.00 53.24 N ATOM 1682 CA VAL A 110 -5.872 27.478 -7.105 1.00 41.21 C ATOM 1683 C VAL A 110 -5.381 28.728 -7.827 1.00 71.00 C ATOM 1684 O VAL A 110 -5.779 29.001 -8.959 1.00 54.45 O ATOM 1685 CB VAL A 110 -7.161 27.817 -6.334 1.00 13.22 C ATOM 1686 CG1 VAL A 110 -7.744 26.567 -5.692 1.00 52.31 C ATOM 1687 CG2 VAL A 110 -6.890 28.887 -5.287 1.00 23.12 C ATOM 0 H VAL A 110 -4.985 27.169 -5.230 1.00 53.24 H new ATOM 0 HA VAL A 110 -6.089 26.701 -7.837 1.00 41.21 H new ATOM 0 HB VAL A 110 -7.893 28.209 -7.040 1.00 13.22 H new ATOM 0 HG11 VAL A 110 -8.654 26.826 -5.152 1.00 52.31 H new ATOM 0 HG12 VAL A 110 -7.977 25.836 -6.466 1.00 52.31 H new ATOM 0 HG13 VAL A 110 -7.019 26.142 -4.998 1.00 52.31 H new ATOM 0 HG21 VAL A 110 -7.812 29.114 -4.752 1.00 23.12 H new ATOM 0 HG22 VAL A 110 -6.141 28.525 -4.582 1.00 23.12 H new ATOM 0 HG23 VAL A 110 -6.522 29.789 -5.776 1.00 23.12 H new ATOM 1697 N LYS A 111 -4.513 29.485 -7.164 1.00 63.45 N ATOM 1698 CA LYS A 111 -3.964 30.706 -7.742 1.00 74.24 C ATOM 1699 C LYS A 111 -2.851 30.386 -8.734 1.00 65.12 C ATOM 1700 O LYS A 111 -2.627 31.127 -9.692 1.00 73.54 O ATOM 1701 CB LYS A 111 -3.431 31.622 -6.639 1.00 13.14 C ATOM 1702 CG LYS A 111 -1.931 31.515 -6.431 1.00 45.02 C ATOM 1703 CD LYS A 111 -1.529 31.944 -5.030 1.00 33.02 C ATOM 1704 CE LYS A 111 -1.091 33.400 -4.997 1.00 11.13 C ATOM 1705 NZ LYS A 111 0.114 33.597 -4.144 1.00 40.54 N ATOM 0 H LYS A 111 -4.174 29.274 -6.225 1.00 63.45 H new ATOM 0 HA LYS A 111 -4.765 31.218 -8.275 1.00 74.24 H new ATOM 0 HB2 LYS A 111 -3.683 32.654 -6.882 1.00 13.14 H new ATOM 0 HB3 LYS A 111 -3.937 31.383 -5.704 1.00 13.14 H new ATOM 0 HG2 LYS A 111 -1.612 30.487 -6.603 1.00 45.02 H new ATOM 0 HG3 LYS A 111 -1.416 32.136 -7.164 1.00 45.02 H new ATOM 0 HD2 LYS A 111 -2.368 31.800 -4.349 1.00 33.02 H new ATOM 0 HD3 LYS A 111 -0.717 31.310 -4.673 1.00 33.02 H new ATOM 0 HE2 LYS A 111 -0.878 33.738 -6.011 1.00 11.13 H new ATOM 0 HE3 LYS A 111 -1.907 34.016 -4.621 1.00 11.13 H new ATOM 0 HZ1 LYS A 111 0.381 34.602 -4.147 1.00 40.54 H new ATOM 0 HZ2 LYS A 111 -0.097 33.298 -3.171 1.00 40.54 H new ATOM 0 HZ3 LYS A 111 0.901 33.029 -4.518 1.00 40.54 H new ATOM 1719 N HIS A 112 -2.155 29.278 -8.499 1.00 21.11 N ATOM 1720 CA HIS A 112 -1.065 28.859 -9.373 1.00 53.15 C ATOM 1721 C HIS A 112 -1.531 27.776 -10.342 1.00 33.25 C ATOM 1722 O HIS A 112 -1.276 27.851 -11.544 1.00 13.55 O ATOM 1723 CB HIS A 112 0.113 28.347 -8.545 1.00 64.33 C ATOM 1724 CG HIS A 112 0.569 29.309 -7.492 1.00 41.44 C ATOM 1725 ND1 HIS A 112 0.985 29.100 -6.221 1.00 53.14 N flip ATOM 1726 CD2 HIS A 112 0.631 30.672 -7.694 1.00 61.25 C flip ATOM 1727 CE1 HIS A 112 1.289 30.327 -5.685 1.00 74.20 C flip ATOM 1728 NE2 HIS A 112 1.067 31.259 -6.594 1.00 34.22 N flip ATOM 0 H HIS A 112 -2.327 28.654 -7.710 1.00 21.11 H new ATOM 0 HA HIS A 112 -0.743 29.725 -9.951 1.00 53.15 H new ATOM 0 HB2 HIS A 112 -0.169 27.408 -8.069 1.00 64.33 H new ATOM 0 HB3 HIS A 112 0.947 28.129 -9.212 1.00 64.33 H new ATOM 0 HD1 HIS A 112 1.059 28.199 -5.749 1.00 53.14 H new ATOM 0 HD2 HIS A 112 0.365 31.180 -8.609 1.00 61.25 H new ATOM 0 HE1 HIS A 112 1.651 30.502 -4.683 1.00 74.20 H new ATOM 1736 N VAL A 113 -2.215 26.768 -9.809 1.00 70.34 N ATOM 1737 CA VAL A 113 -2.717 25.669 -10.626 1.00 21.00 C ATOM 1738 C VAL A 113 -4.157 25.919 -11.059 1.00 41.52 C ATOM 1739 O VAL A 113 -4.582 25.475 -12.125 1.00 0.03 O ATOM 1740 CB VAL A 113 -2.646 24.329 -9.869 1.00 44.33 C ATOM 1741 CG1 VAL A 113 -2.710 23.162 -10.843 1.00 15.15 C ATOM 1742 CG2 VAL A 113 -1.382 24.261 -9.026 1.00 3.04 C ATOM 0 H VAL A 113 -2.434 26.690 -8.816 1.00 70.34 H new ATOM 0 HA VAL A 113 -2.080 25.614 -11.508 1.00 21.00 H new ATOM 0 HB VAL A 113 -3.505 24.262 -9.202 1.00 44.33 H new ATOM 0 HG11 VAL A 113 -2.659 22.224 -10.291 1.00 15.15 H new ATOM 0 HG12 VAL A 113 -3.646 23.204 -11.400 1.00 15.15 H new ATOM 0 HG13 VAL A 113 -1.872 23.221 -11.537 1.00 15.15 H new ATOM 0 HG21 VAL A 113 -1.348 23.308 -8.498 1.00 3.04 H new ATOM 0 HG22 VAL A 113 -0.509 24.350 -9.672 1.00 3.04 H new ATOM 0 HG23 VAL A 113 -1.383 25.077 -8.303 1.00 3.04 H new ATOM 1752 N GLY A 114 -4.904 26.636 -10.225 1.00 33.23 N ATOM 1753 CA GLY A 114 -6.289 26.934 -10.539 1.00 74.20 C ATOM 1754 C GLY A 114 -6.427 28.083 -11.518 1.00 35.11 C ATOM 1755 O GLY A 114 -7.506 28.318 -12.061 1.00 15.43 O ATOM 0 H GLY A 114 -4.575 27.016 -9.337 1.00 33.23 H new ATOM 0 HA2 GLY A 114 -6.763 26.046 -10.957 1.00 74.20 H new ATOM 0 HA3 GLY A 114 -6.822 27.177 -9.620 1.00 74.20 H new ATOM 1759 N ALA A 115 -5.332 28.801 -11.743 1.00 12.31 N ATOM 1760 CA ALA A 115 -5.336 29.932 -12.663 1.00 62.20 C ATOM 1761 C ALA A 115 -6.606 30.761 -12.509 1.00 11.34 C ATOM 1762 O ALA A 115 -7.037 31.437 -13.444 1.00 32.41 O ATOM 1763 CB ALA A 115 -5.192 29.445 -14.097 1.00 40.24 C ATOM 0 H ALA A 115 -4.431 28.620 -11.301 1.00 12.31 H new ATOM 0 HA ALA A 115 -4.486 30.570 -12.420 1.00 62.20 H new ATOM 0 HB1 ALA A 115 -5.196 30.300 -14.774 1.00 40.24 H new ATOM 0 HB2 ALA A 115 -4.253 28.902 -14.204 1.00 40.24 H new ATOM 0 HB3 ALA A 115 -6.023 28.784 -14.342 1.00 40.24 H new