USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 23 SER OG : rot -49:sc= 0.99 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 176:sc= 1.67 (180deg=0.219) USER MOD Set 2.1: A 22 GLN :FLIP amide:sc= -0.0615 F(o=-2.4!,f=-1.9) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -1.82! C(o=-3.6!,f=-1.9!) USER MOD Set 3.1: A 7 SER OG : rot 25:sc= 0.958 USER MOD Set 3.2: A 9 GLN : amide:sc= -2.09! C(o=-0.81!,f=-9!) USER MOD Set 3.3: A 10 GLN :FLIP amide:sc= 0.319 F(o=-4.2!,f=-0.81) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.76! C(o=-2.7!,f=-1.8!) USER MOD Single : A 27 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.8) USER MOD Single : A 28 MET CE :methyl 160:sc= -0.079 (180deg=-0.12) USER MOD Single : A 36 SER OG : rot -20:sc= 0.125 USER MOD Single : A 37 SER OG : rot 85:sc= 0.89 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0529) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -74:sc= -0.678! USER MOD Single : A 58 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.007) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= 1.09 (180deg=0.463) USER MOD Single : A 64 THR OG1 : rot -134:sc= 0.302 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.137 K(o=-0.14,f=-10!) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0191 (180deg=-0.139) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= -0.0461 (180deg=-0.264) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0405 (180deg=-0.251) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.55) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0696) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 10.593 -6.055 10.003 1.00 54.51 N ATOM 79 CA SER A 7 11.094 -5.386 11.215 1.00 63.41 C ATOM 80 C SER A 7 10.226 -4.175 11.615 1.00 3.22 C ATOM 81 O SER A 7 9.679 -3.471 10.759 1.00 14.45 O ATOM 82 CB SER A 7 12.557 -4.961 11.018 1.00 43.33 C ATOM 83 OG SER A 7 12.707 -4.109 9.897 1.00 23.02 O ATOM 0 HA SER A 7 11.036 -6.104 12.033 1.00 63.41 H new ATOM 0 HB2 SER A 7 12.912 -4.451 11.913 1.00 43.33 H new ATOM 0 HB3 SER A 7 13.179 -5.847 10.888 1.00 43.33 H new ATOM 0 HG SER A 7 11.859 -3.653 9.717 1.00 23.02 H new ATOM 89 N PRO A 8 10.114 -3.907 12.937 1.00 13.13 N ATOM 90 CA PRO A 8 9.209 -2.876 13.501 1.00 53.33 C ATOM 91 C PRO A 8 9.404 -1.459 12.927 1.00 3.12 C ATOM 92 O PRO A 8 8.474 -0.648 12.945 1.00 3.42 O ATOM 93 CB PRO A 8 9.530 -2.891 15.008 1.00 75.44 C ATOM 94 CG PRO A 8 10.848 -3.579 15.116 1.00 34.51 C ATOM 95 CD PRO A 8 10.866 -4.590 14.007 1.00 74.20 C ATOM 0 HA PRO A 8 8.174 -3.111 13.254 1.00 53.33 H new ATOM 0 HB2 PRO A 8 9.579 -1.879 15.411 1.00 75.44 H new ATOM 0 HB3 PRO A 8 8.761 -3.421 15.570 1.00 75.44 H new ATOM 0 HG2 PRO A 8 11.670 -2.870 15.014 1.00 34.51 H new ATOM 0 HG3 PRO A 8 10.961 -4.060 16.087 1.00 34.51 H new ATOM 0 HD2 PRO A 8 11.882 -4.833 13.697 1.00 74.20 H new ATOM 0 HD3 PRO A 8 10.391 -5.525 14.303 1.00 74.20 H new ATOM 103 N GLN A 9 10.600 -1.156 12.427 1.00 35.43 N ATOM 104 CA GLN A 9 10.926 0.209 11.984 1.00 51.11 C ATOM 105 C GLN A 9 9.983 0.676 10.856 1.00 50.24 C ATOM 106 O GLN A 9 9.508 1.814 10.865 1.00 3.51 O ATOM 107 CB GLN A 9 12.394 0.301 11.520 1.00 31.32 C ATOM 108 CG GLN A 9 13.432 -0.022 12.602 1.00 34.43 C ATOM 109 CD GLN A 9 13.463 -1.495 12.976 1.00 70.04 C ATOM 110 OE1 GLN A 9 13.156 -2.352 12.164 1.00 61.34 O ATOM 111 NE2 GLN A 9 13.836 -1.804 14.198 1.00 34.00 N ATOM 0 H GLN A 9 11.359 -1.828 12.316 1.00 35.43 H new ATOM 0 HA GLN A 9 10.787 0.870 12.839 1.00 51.11 H new ATOM 0 HB2 GLN A 9 12.539 -0.381 10.682 1.00 31.32 H new ATOM 0 HB3 GLN A 9 12.580 1.308 11.147 1.00 31.32 H new ATOM 0 HG2 GLN A 9 14.419 0.279 12.252 1.00 34.43 H new ATOM 0 HG3 GLN A 9 13.216 0.569 13.492 1.00 34.43 H new ATOM 0 HE21 GLN A 9 14.087 -1.067 14.856 1.00 34.00 H new ATOM 0 HE22 GLN A 9 13.874 -2.781 14.488 1.00 34.00 H new ATOM 120 N GLN A 10 9.699 -0.208 9.896 1.00 33.13 N ATOM 121 CA GLN A 10 8.737 0.098 8.822 1.00 5.31 C ATOM 122 C GLN A 10 7.303 0.185 9.372 1.00 1.51 C ATOM 123 O GLN A 10 6.475 0.955 8.877 1.00 41.14 O ATOM 124 CB GLN A 10 8.805 -0.948 7.695 1.00 12.44 C ATOM 125 CG GLN A 10 10.134 -0.971 6.937 1.00 61.33 C ATOM 126 CD GLN A 10 11.290 -1.511 7.762 1.00 41.52 C ATOM 127 OE1 GLN A 10 11.006 -2.449 8.641 1.00 13.41 O flip ATOM 128 NE2 GLN A 10 12.434 -1.103 7.602 1.00 14.42 N flip ATOM 0 H GLN A 10 10.116 -1.137 9.836 1.00 33.13 H new ATOM 0 HA GLN A 10 9.012 1.068 8.409 1.00 5.31 H new ATOM 0 HB2 GLN A 10 8.626 -1.935 8.120 1.00 12.44 H new ATOM 0 HB3 GLN A 10 7.999 -0.755 6.987 1.00 12.44 H new ATOM 0 HG2 GLN A 10 10.022 -1.580 6.040 1.00 61.33 H new ATOM 0 HG3 GLN A 10 10.373 0.040 6.608 1.00 61.33 H new ATOM 0 HE21 GLN A 10 12.624 -0.375 6.913 1.00 14.42 H new ATOM 0 HE22 GLN A 10 13.196 -1.491 8.157 1.00 14.42 H new ATOM 137 N ILE A 11 7.015 -0.615 10.399 1.00 64.22 N ATOM 138 CA ILE A 11 5.705 -0.589 11.060 1.00 34.24 C ATOM 139 C ILE A 11 5.442 0.781 11.707 1.00 14.10 C ATOM 140 O ILE A 11 4.379 1.377 11.514 1.00 12.40 O ATOM 141 CB ILE A 11 5.587 -1.713 12.136 1.00 53.14 C ATOM 142 CG1 ILE A 11 5.355 -3.090 11.480 1.00 10.20 C ATOM 143 CG2 ILE A 11 4.476 -1.409 13.141 1.00 21.33 C ATOM 144 CD1 ILE A 11 6.512 -3.590 10.641 1.00 44.11 C ATOM 0 H ILE A 11 7.670 -1.290 10.793 1.00 64.22 H new ATOM 0 HA ILE A 11 4.953 -0.767 10.292 1.00 34.24 H new ATOM 0 HB ILE A 11 6.533 -1.744 12.676 1.00 53.14 H new ATOM 0 HG12 ILE A 11 5.148 -3.820 12.262 1.00 10.20 H new ATOM 0 HG13 ILE A 11 4.465 -3.034 10.853 1.00 10.20 H new ATOM 0 HG21 ILE A 11 4.421 -2.212 13.876 1.00 21.33 H new ATOM 0 HG22 ILE A 11 4.691 -0.468 13.647 1.00 21.33 H new ATOM 0 HG23 ILE A 11 3.523 -1.331 12.617 1.00 21.33 H new ATOM 0 HD11 ILE A 11 6.262 -4.563 10.219 1.00 44.11 H new ATOM 0 HD12 ILE A 11 6.708 -2.884 9.834 1.00 44.11 H new ATOM 0 HD13 ILE A 11 7.401 -3.683 11.265 1.00 44.11 H new ATOM 156 N ARG A 12 6.425 1.287 12.454 1.00 21.02 N ATOM 157 CA ARG A 12 6.301 2.598 13.100 1.00 21.24 C ATOM 158 C ARG A 12 6.188 3.718 12.052 1.00 20.32 C ATOM 159 O ARG A 12 5.468 4.699 12.249 1.00 61.01 O ATOM 160 CB ARG A 12 7.480 2.856 14.053 1.00 60.40 C ATOM 161 CG ARG A 12 7.264 4.064 14.963 1.00 4.21 C ATOM 162 CD ARG A 12 8.351 4.202 16.028 1.00 31.04 C ATOM 163 NE ARG A 12 9.650 4.557 15.461 1.00 30.00 N ATOM 164 CZ ARG A 12 10.678 4.949 16.167 1.00 33.50 C ATOM 165 NH1 ARG A 12 10.605 5.018 17.458 1.00 63.14 N1+ ATOM 166 NH2 ARG A 12 11.782 5.260 15.572 1.00 75.02 N ATOM 0 H ARG A 12 7.312 0.813 12.627 1.00 21.02 H new ATOM 0 HA ARG A 12 5.385 2.595 13.691 1.00 21.24 H new ATOM 0 HB2 ARG A 12 7.643 1.971 14.668 1.00 60.40 H new ATOM 0 HB3 ARG A 12 8.386 3.008 13.467 1.00 60.40 H new ATOM 0 HG2 ARG A 12 7.237 4.970 14.357 1.00 4.21 H new ATOM 0 HG3 ARG A 12 6.293 3.978 15.450 1.00 4.21 H new ATOM 0 HD2 ARG A 12 8.053 4.963 16.750 1.00 31.04 H new ATOM 0 HD3 ARG A 12 8.441 3.263 16.574 1.00 31.04 H new ATOM 0 HE ARG A 12 9.762 4.495 14.449 1.00 30.00 H new ATOM 0 HH11 ARG A 12 9.739 4.765 17.934 1.00 63.14 H new ATOM 0 HH12 ARG A 12 11.413 5.325 17.999 1.00 63.14 H new ATOM 0 HH21 ARG A 12 11.848 5.199 14.556 1.00 75.02 H new ATOM 0 HH22 ARG A 12 12.587 5.566 16.118 1.00 75.02 H new ATOM 180 N ASP A 13 6.895 3.556 10.935 1.00 64.53 N ATOM 181 CA ASP A 13 6.814 4.505 9.820 1.00 31.32 C ATOM 182 C ASP A 13 5.359 4.675 9.347 1.00 55.02 C ATOM 183 O ASP A 13 4.864 5.799 9.205 1.00 13.32 O ATOM 184 CB ASP A 13 7.692 4.020 8.658 1.00 13.52 C ATOM 185 CG ASP A 13 7.690 4.982 7.481 1.00 62.20 C ATOM 186 OD1 ASP A 13 6.781 4.893 6.630 1.00 44.10 O ATOM 187 OD2 ASP A 13 8.600 5.833 7.404 1.00 5.33 O1- ATOM 0 H ASP A 13 7.532 2.776 10.775 1.00 64.53 H new ATOM 0 HA ASP A 13 7.175 5.474 10.165 1.00 31.32 H new ATOM 0 HB2 ASP A 13 8.714 3.887 9.011 1.00 13.52 H new ATOM 0 HB3 ASP A 13 7.340 3.044 8.325 1.00 13.52 H new ATOM 192 N ARG A 14 4.676 3.552 9.121 1.00 11.43 N ATOM 193 CA ARG A 14 3.267 3.573 8.720 1.00 24.23 C ATOM 194 C ARG A 14 2.368 4.154 9.825 1.00 13.42 C ATOM 195 O ARG A 14 1.343 4.773 9.542 1.00 22.25 O ATOM 196 CB ARG A 14 2.783 2.169 8.336 1.00 0.34 C ATOM 197 CG ARG A 14 3.416 1.625 7.058 1.00 0.34 C ATOM 198 CD ARG A 14 2.776 0.311 6.617 1.00 11.04 C ATOM 199 NE ARG A 14 3.277 -0.126 5.315 1.00 71.40 N ATOM 200 CZ ARG A 14 2.584 -0.811 4.446 1.00 52.11 C ATOM 201 NH1 ARG A 14 1.360 -1.160 4.699 1.00 70.11 N1+ ATOM 202 NH2 ARG A 14 3.120 -1.131 3.310 1.00 41.15 N ATOM 0 H ARG A 14 5.074 2.617 9.208 1.00 11.43 H new ATOM 0 HA ARG A 14 3.194 4.222 7.848 1.00 24.23 H new ATOM 0 HB2 ARG A 14 2.998 1.484 9.156 1.00 0.34 H new ATOM 0 HB3 ARG A 14 1.700 2.189 8.213 1.00 0.34 H new ATOM 0 HG2 ARG A 14 3.316 2.362 6.262 1.00 0.34 H new ATOM 0 HG3 ARG A 14 4.483 1.472 7.219 1.00 0.34 H new ATOM 0 HD2 ARG A 14 2.977 -0.459 7.361 1.00 11.04 H new ATOM 0 HD3 ARG A 14 1.694 0.432 6.568 1.00 11.04 H new ATOM 0 HE ARG A 14 4.235 0.122 5.068 1.00 71.40 H new ATOM 0 HH11 ARG A 14 0.928 -0.899 5.586 1.00 70.11 H new ATOM 0 HH12 ARG A 14 0.830 -1.695 4.011 1.00 70.11 H new ATOM 0 HH21 ARG A 14 4.077 -0.848 3.100 1.00 41.15 H new ATOM 0 HH22 ARG A 14 2.585 -1.666 2.626 1.00 41.15 H new ATOM 216 N LEU A 15 2.746 3.941 11.078 1.00 32.10 N ATOM 217 CA LEU A 15 1.988 4.479 12.211 1.00 45.24 C ATOM 218 C LEU A 15 1.986 6.016 12.217 1.00 72.01 C ATOM 219 O LEU A 15 0.931 6.632 12.279 1.00 13.34 O ATOM 220 CB LEU A 15 2.565 3.940 13.525 1.00 42.52 C ATOM 221 CG LEU A 15 2.341 2.437 13.756 1.00 2.10 C ATOM 222 CD1 LEU A 15 3.195 1.935 14.910 1.00 71.41 C ATOM 223 CD2 LEU A 15 0.861 2.151 14.015 1.00 72.44 C ATOM 0 H LEU A 15 3.571 3.401 11.341 1.00 32.10 H new ATOM 0 HA LEU A 15 0.953 4.153 12.109 1.00 45.24 H new ATOM 0 HB2 LEU A 15 3.636 4.141 13.545 1.00 42.52 H new ATOM 0 HB3 LEU A 15 2.121 4.491 14.354 1.00 42.52 H new ATOM 0 HG LEU A 15 2.643 1.903 12.855 1.00 2.10 H new ATOM 0 HD11 LEU A 15 3.020 0.869 15.055 1.00 71.41 H new ATOM 0 HD12 LEU A 15 4.248 2.102 14.683 1.00 71.41 H new ATOM 0 HD13 LEU A 15 2.930 2.473 15.820 1.00 71.41 H new ATOM 0 HD21 LEU A 15 0.720 1.082 14.177 1.00 72.44 H new ATOM 0 HD22 LEU A 15 0.534 2.698 14.899 1.00 72.44 H new ATOM 0 HD23 LEU A 15 0.273 2.469 13.154 1.00 72.44 H new ATOM 235 N LEU A 16 3.164 6.627 12.108 1.00 34.41 N ATOM 236 CA LEU A 16 3.281 8.095 12.178 1.00 24.23 C ATOM 237 C LEU A 16 2.542 8.807 11.026 1.00 24.14 C ATOM 238 O LEU A 16 2.090 9.941 11.181 1.00 21.40 O ATOM 239 CB LEU A 16 4.760 8.525 12.206 1.00 64.42 C ATOM 240 CG LEU A 16 5.435 8.514 13.593 1.00 44.03 C ATOM 241 CD1 LEU A 16 5.386 7.126 14.226 1.00 32.44 C ATOM 242 CD2 LEU A 16 6.878 9.010 13.490 1.00 51.24 C ATOM 0 H LEU A 16 4.049 6.139 11.972 1.00 34.41 H new ATOM 0 HA LEU A 16 2.800 8.400 13.107 1.00 24.23 H new ATOM 0 HB2 LEU A 16 5.323 7.867 11.543 1.00 64.42 H new ATOM 0 HB3 LEU A 16 4.834 9.532 11.794 1.00 64.42 H new ATOM 0 HG LEU A 16 4.879 9.192 14.240 1.00 44.03 H new ATOM 0 HD11 LEU A 16 5.870 7.154 15.202 1.00 32.44 H new ATOM 0 HD12 LEU A 16 4.348 6.817 14.345 1.00 32.44 H new ATOM 0 HD13 LEU A 16 5.905 6.415 13.584 1.00 32.44 H new ATOM 0 HD21 LEU A 16 7.339 8.996 14.478 1.00 51.24 H new ATOM 0 HD22 LEU A 16 7.439 8.360 12.818 1.00 51.24 H new ATOM 0 HD23 LEU A 16 6.886 10.028 13.101 1.00 51.24 H new ATOM 254 N GLN A 17 2.445 8.166 9.863 1.00 73.01 N ATOM 255 CA GLN A 17 1.707 8.755 8.733 1.00 63.51 C ATOM 256 C GLN A 17 0.182 8.588 8.900 1.00 33.31 C ATOM 257 O GLN A 17 -0.603 9.337 8.317 1.00 61.24 O ATOM 258 CB GLN A 17 2.195 8.162 7.394 1.00 1.31 C ATOM 259 CG GLN A 17 1.964 6.659 7.225 1.00 55.10 C ATOM 260 CD GLN A 17 0.567 6.307 6.732 1.00 21.14 C ATOM 261 OE1 GLN A 17 0.056 5.163 7.142 1.00 14.34 O flip ATOM 262 NE2 GLN A 17 -0.054 7.060 5.991 1.00 12.43 N flip ATOM 0 H GLN A 17 2.859 7.253 9.673 1.00 73.01 H new ATOM 0 HA GLN A 17 1.912 9.825 8.723 1.00 63.51 H new ATOM 0 HB2 GLN A 17 1.694 8.684 6.579 1.00 1.31 H new ATOM 0 HB3 GLN A 17 3.262 8.363 7.293 1.00 1.31 H new ATOM 0 HG2 GLN A 17 2.698 6.264 6.523 1.00 55.10 H new ATOM 0 HG3 GLN A 17 2.138 6.164 8.180 1.00 55.10 H new ATOM 0 HE21 GLN A 17 0.366 7.939 5.689 1.00 12.43 H new ATOM 0 HE22 GLN A 17 -0.991 6.808 5.676 1.00 12.43 H new ATOM 271 N ALA A 18 -0.229 7.602 9.702 1.00 21.02 N ATOM 272 CA ALA A 18 -1.656 7.337 9.942 1.00 14.25 C ATOM 273 C ALA A 18 -2.155 7.980 11.248 1.00 74.15 C ATOM 274 O ALA A 18 -3.345 8.275 11.388 1.00 31.24 O ATOM 275 CB ALA A 18 -1.914 5.834 9.969 1.00 52.41 C ATOM 0 H ALA A 18 0.403 6.973 10.197 1.00 21.02 H new ATOM 0 HA ALA A 18 -2.212 7.789 9.121 1.00 14.25 H new ATOM 0 HB1 ALA A 18 -2.973 5.650 10.147 1.00 52.41 H new ATOM 0 HB2 ALA A 18 -1.626 5.398 9.012 1.00 52.41 H new ATOM 0 HB3 ALA A 18 -1.327 5.378 10.767 1.00 52.41 H new ATOM 281 N ILE A 19 -1.247 8.177 12.204 1.00 62.13 N ATOM 282 CA ILE A 19 -1.575 8.782 13.505 1.00 71.02 C ATOM 283 C ILE A 19 -0.405 9.636 14.026 1.00 31.32 C ATOM 284 O ILE A 19 0.757 9.339 13.754 1.00 22.45 O ATOM 285 CB ILE A 19 -1.919 7.707 14.582 1.00 74.21 C ATOM 286 CG1 ILE A 19 -0.700 6.813 14.881 1.00 71.32 C ATOM 287 CG2 ILE A 19 -3.112 6.856 14.145 1.00 73.11 C ATOM 288 CD1 ILE A 19 -0.948 5.772 15.956 1.00 11.34 C ATOM 0 H ILE A 19 -0.264 7.924 12.104 1.00 62.13 H new ATOM 0 HA ILE A 19 -2.451 9.409 13.339 1.00 71.02 H new ATOM 0 HB ILE A 19 -2.190 8.231 15.498 1.00 74.21 H new ATOM 0 HG12 ILE A 19 -0.399 6.308 13.963 1.00 71.32 H new ATOM 0 HG13 ILE A 19 0.135 7.444 15.186 1.00 71.32 H new ATOM 0 HG21 ILE A 19 -3.331 6.115 14.913 1.00 73.11 H new ATOM 0 HG22 ILE A 19 -3.982 7.496 14.000 1.00 73.11 H new ATOM 0 HG23 ILE A 19 -2.874 6.350 13.209 1.00 73.11 H new ATOM 0 HD11 ILE A 19 -0.043 5.183 16.108 1.00 11.34 H new ATOM 0 HD12 ILE A 19 -1.219 6.269 16.888 1.00 11.34 H new ATOM 0 HD13 ILE A 19 -1.760 5.115 15.646 1.00 11.34 H new ATOM 300 N ASP A 20 -0.710 10.692 14.776 1.00 2.43 N ATOM 301 CA ASP A 20 0.334 11.521 15.395 1.00 12.13 C ATOM 302 C ASP A 20 0.653 11.035 16.822 1.00 40.10 C ATOM 303 O ASP A 20 -0.180 10.389 17.462 1.00 50.55 O ATOM 304 CB ASP A 20 -0.097 12.992 15.431 1.00 54.13 C ATOM 305 CG ASP A 20 -0.242 13.593 14.045 1.00 5.43 C ATOM 306 OD1 ASP A 20 -1.277 14.240 13.780 1.00 22.23 O ATOM 307 OD2 ASP A 20 0.680 13.425 13.216 1.00 3.33 O1- ATOM 0 H ASP A 20 -1.663 10.997 14.972 1.00 2.43 H new ATOM 0 HA ASP A 20 1.235 11.429 14.788 1.00 12.13 H new ATOM 0 HB2 ASP A 20 -1.046 13.076 15.960 1.00 54.13 H new ATOM 0 HB3 ASP A 20 0.635 13.567 15.997 1.00 54.13 H new ATOM 312 N PRO A 21 1.863 11.354 17.345 1.00 64.44 N ATOM 313 CA PRO A 21 2.285 10.965 18.712 1.00 11.50 C ATOM 314 C PRO A 21 1.265 11.321 19.815 1.00 40.01 C ATOM 315 O PRO A 21 1.367 10.831 20.941 1.00 62.01 O ATOM 316 CB PRO A 21 3.586 11.754 18.910 1.00 15.42 C ATOM 317 CG PRO A 21 4.131 11.917 17.532 1.00 44.42 C ATOM 318 CD PRO A 21 2.933 12.094 16.636 1.00 21.15 C ATOM 0 HA PRO A 21 2.390 9.883 18.796 1.00 11.50 H new ATOM 0 HB2 PRO A 21 3.398 12.719 19.380 1.00 15.42 H new ATOM 0 HB3 PRO A 21 4.283 11.217 19.553 1.00 15.42 H new ATOM 0 HG2 PRO A 21 4.794 12.780 17.473 1.00 44.42 H new ATOM 0 HG3 PRO A 21 4.715 11.045 17.237 1.00 44.42 H new ATOM 0 HD2 PRO A 21 2.678 13.146 16.509 1.00 21.15 H new ATOM 0 HD3 PRO A 21 3.112 11.687 15.641 1.00 21.15 H new ATOM 326 N GLN A 22 0.287 12.169 19.492 1.00 34.05 N ATOM 327 CA GLN A 22 -0.778 12.526 20.440 1.00 65.01 C ATOM 328 C GLN A 22 -1.894 11.455 20.467 1.00 21.10 C ATOM 329 O GLN A 22 -2.951 11.653 21.072 1.00 24.44 O ATOM 330 CB GLN A 22 -1.371 13.898 20.077 1.00 23.21 C ATOM 331 CG GLN A 22 -2.303 14.473 21.145 1.00 62.42 C ATOM 332 CD GLN A 22 -3.158 15.625 20.643 1.00 71.10 C ATOM 333 OE1 GLN A 22 -3.531 15.589 19.379 1.00 32.34 O flip ATOM 334 NE2 GLN A 22 -3.503 16.531 21.393 1.00 13.14 N flip ATOM 0 H GLN A 22 0.208 12.623 18.582 1.00 34.05 H new ATOM 0 HA GLN A 22 -0.337 12.576 21.436 1.00 65.01 H new ATOM 0 HB2 GLN A 22 -0.556 14.601 19.904 1.00 23.21 H new ATOM 0 HB3 GLN A 22 -1.920 13.809 19.140 1.00 23.21 H new ATOM 0 HG2 GLN A 22 -2.954 13.680 21.513 1.00 62.42 H new ATOM 0 HG3 GLN A 22 -1.707 14.815 21.991 1.00 62.42 H new ATOM 0 HE21 GLN A 22 -3.198 16.531 22.366 1.00 13.14 H new ATOM 0 HE22 GLN A 22 -4.095 17.285 21.044 1.00 13.14 H new ATOM 343 N SER A 23 -1.649 10.321 19.806 1.00 13.24 N ATOM 344 CA SER A 23 -2.555 9.157 19.857 1.00 31.13 C ATOM 345 C SER A 23 -3.920 9.421 19.194 1.00 53.31 C ATOM 346 O SER A 23 -4.941 8.878 19.622 1.00 21.34 O ATOM 347 CB SER A 23 -2.770 8.729 21.316 1.00 62.25 C ATOM 348 OG SER A 23 -1.564 8.259 21.903 1.00 64.13 O ATOM 0 H SER A 23 -0.825 10.178 19.223 1.00 13.24 H new ATOM 0 HA SER A 23 -2.073 8.361 19.290 1.00 31.13 H new ATOM 0 HB2 SER A 23 -3.152 9.572 21.891 1.00 62.25 H new ATOM 0 HB3 SER A 23 -3.527 7.945 21.359 1.00 62.25 H new ATOM 0 HG SER A 23 -1.143 7.605 21.307 1.00 64.13 H new ATOM 354 N ASN A 24 -3.933 10.221 18.131 1.00 14.11 N ATOM 355 CA ASN A 24 -5.172 10.507 17.387 1.00 31.33 C ATOM 356 C ASN A 24 -5.153 9.868 15.987 1.00 32.32 C ATOM 357 O ASN A 24 -4.153 9.937 15.270 1.00 73.30 O ATOM 358 CB ASN A 24 -5.398 12.018 17.282 1.00 4.20 C ATOM 359 CG ASN A 24 -4.174 12.752 16.776 1.00 62.25 C ATOM 360 OD1 ASN A 24 -3.292 13.111 17.685 1.00 1.05 O flip ATOM 361 ND2 ASN A 24 -4.009 12.975 15.584 1.00 42.32 N flip ATOM 0 H ASN A 24 -3.104 10.686 17.760 1.00 14.11 H new ATOM 0 HA ASN A 24 -5.999 10.065 17.942 1.00 31.33 H new ATOM 0 HB2 ASN A 24 -6.236 12.211 16.613 1.00 4.20 H new ATOM 0 HB3 ASN A 24 -5.674 12.410 18.261 1.00 4.20 H new ATOM 0 HD21 ASN A 24 -4.714 12.682 14.908 1.00 42.32 H new ATOM 0 HD22 ASN A 24 -3.166 13.454 15.267 1.00 42.32 H new ATOM 368 N ILE A 25 -6.270 9.248 15.608 1.00 10.35 N ATOM 369 CA ILE A 25 -6.375 8.543 14.322 1.00 74.03 C ATOM 370 C ILE A 25 -6.592 9.514 13.146 1.00 44.44 C ATOM 371 O ILE A 25 -7.692 10.041 12.957 1.00 63.35 O ATOM 372 CB ILE A 25 -7.536 7.510 14.340 1.00 23.11 C ATOM 373 CG1 ILE A 25 -7.412 6.559 15.546 1.00 53.31 C ATOM 374 CG2 ILE A 25 -7.573 6.720 13.031 1.00 54.50 C ATOM 375 CD1 ILE A 25 -6.166 5.696 15.540 1.00 62.12 C ATOM 0 H ILE A 25 -7.119 9.217 16.172 1.00 10.35 H new ATOM 0 HA ILE A 25 -5.426 8.026 14.179 1.00 74.03 H new ATOM 0 HB ILE A 25 -8.473 8.057 14.439 1.00 23.11 H new ATOM 0 HG12 ILE A 25 -7.425 7.150 16.462 1.00 53.31 H new ATOM 0 HG13 ILE A 25 -8.288 5.911 15.573 1.00 53.31 H new ATOM 0 HG21 ILE A 25 -8.392 6.002 13.062 1.00 54.50 H new ATOM 0 HG22 ILE A 25 -7.723 7.405 12.197 1.00 54.50 H new ATOM 0 HG23 ILE A 25 -6.630 6.189 12.900 1.00 54.50 H new ATOM 0 HD11 ILE A 25 -6.161 5.058 16.424 1.00 62.12 H new ATOM 0 HD12 ILE A 25 -6.158 5.075 14.644 1.00 62.12 H new ATOM 0 HD13 ILE A 25 -5.282 6.333 15.547 1.00 62.12 H new ATOM 387 N ARG A 26 -5.544 9.743 12.354 1.00 74.31 N ATOM 388 CA ARG A 26 -5.646 10.608 11.169 1.00 41.44 C ATOM 389 C ARG A 26 -6.289 9.858 9.994 1.00 54.43 C ATOM 390 O ARG A 26 -7.156 10.393 9.300 1.00 65.53 O ATOM 391 CB ARG A 26 -4.252 11.094 10.750 1.00 32.00 C ATOM 392 CG ARG A 26 -3.521 11.900 11.817 1.00 31.41 C ATOM 393 CD ARG A 26 -2.056 12.125 11.449 1.00 24.22 C ATOM 394 NE ARG A 26 -1.890 12.731 10.126 1.00 54.12 N ATOM 395 CZ ARG A 26 -0.755 13.200 9.677 1.00 63.01 C ATOM 396 NH1 ARG A 26 0.286 13.254 10.446 1.00 40.34 N1+ ATOM 397 NH2 ARG A 26 -0.668 13.650 8.465 1.00 41.51 N ATOM 0 H ARG A 26 -4.617 9.346 12.507 1.00 74.31 H new ATOM 0 HA ARG A 26 -6.273 11.461 11.430 1.00 41.44 H new ATOM 0 HB2 ARG A 26 -3.644 10.230 10.484 1.00 32.00 H new ATOM 0 HB3 ARG A 26 -4.348 11.705 9.852 1.00 32.00 H new ATOM 0 HG2 ARG A 26 -4.015 12.863 11.949 1.00 31.41 H new ATOM 0 HG3 ARG A 26 -3.580 11.378 12.772 1.00 31.41 H new ATOM 0 HD2 ARG A 26 -1.592 12.767 12.198 1.00 24.22 H new ATOM 0 HD3 ARG A 26 -1.529 11.171 11.476 1.00 24.22 H new ATOM 0 HE ARG A 26 -2.708 12.791 9.519 1.00 54.12 H new ATOM 0 HH11 ARG A 26 0.225 12.929 11.411 1.00 40.34 H new ATOM 0 HH12 ARG A 26 1.167 13.621 10.087 1.00 40.34 H new ATOM 0 HH21 ARG A 26 -1.487 13.639 7.857 1.00 41.51 H new ATOM 0 HH22 ARG A 26 0.219 14.015 8.119 1.00 41.51 H new ATOM 411 N ASN A 27 -5.853 8.617 9.778 1.00 42.13 N ATOM 412 CA ASN A 27 -6.399 7.770 8.712 1.00 42.42 C ATOM 413 C ASN A 27 -6.631 6.335 9.224 1.00 11.54 C ATOM 414 O ASN A 27 -5.685 5.556 9.376 1.00 75.45 O ATOM 415 CB ASN A 27 -5.452 7.780 7.502 1.00 71.14 C ATOM 416 CG ASN A 27 -6.062 7.136 6.273 1.00 34.44 C ATOM 417 OD1 ASN A 27 -7.276 7.093 6.114 1.00 32.04 O ATOM 418 ND2 ASN A 27 -5.226 6.650 5.382 1.00 35.52 N ATOM 0 H ASN A 27 -5.119 8.172 10.329 1.00 42.13 H new ATOM 0 HA ASN A 27 -7.364 8.170 8.400 1.00 42.42 H new ATOM 0 HB2 ASN A 27 -5.178 8.809 7.269 1.00 71.14 H new ATOM 0 HB3 ASN A 27 -4.532 7.256 7.762 1.00 71.14 H new ATOM 0 HD21 ASN A 27 -5.583 6.221 4.528 1.00 35.52 H new ATOM 0 HD22 ASN A 27 -4.220 6.702 5.545 1.00 35.52 H new ATOM 425 N MET A 28 -7.894 5.997 9.488 1.00 74.33 N ATOM 426 CA MET A 28 -8.251 4.719 10.123 1.00 24.45 C ATOM 427 C MET A 28 -7.865 3.509 9.255 1.00 75.35 C ATOM 428 O MET A 28 -7.268 2.552 9.746 1.00 23.44 O ATOM 429 CB MET A 28 -9.755 4.697 10.440 1.00 0.31 C ATOM 430 CG MET A 28 -10.203 3.501 11.272 1.00 62.20 C ATOM 431 SD MET A 28 -11.957 3.566 11.696 1.00 12.20 S ATOM 432 CE MET A 28 -12.103 2.125 12.751 1.00 0.11 C ATOM 0 H MET A 28 -8.694 6.592 9.272 1.00 74.33 H new ATOM 0 HA MET A 28 -7.682 4.639 11.049 1.00 24.45 H new ATOM 0 HB2 MET A 28 -10.016 5.612 10.971 1.00 0.31 H new ATOM 0 HB3 MET A 28 -10.312 4.702 9.503 1.00 0.31 H new ATOM 0 HG2 MET A 28 -10.000 2.583 10.720 1.00 62.20 H new ATOM 0 HG3 MET A 28 -9.613 3.459 12.188 1.00 62.20 H new ATOM 0 HE1 MET A 28 -12.997 2.215 13.368 1.00 0.11 H new ATOM 0 HE2 MET A 28 -12.175 1.229 12.135 1.00 0.11 H new ATOM 0 HE3 MET A 28 -11.225 2.054 13.393 1.00 0.11 H new ATOM 442 N VAL A 29 -8.197 3.559 7.969 1.00 10.30 N ATOM 443 CA VAL A 29 -7.893 2.454 7.050 1.00 64.14 C ATOM 444 C VAL A 29 -6.385 2.131 7.013 1.00 74.41 C ATOM 445 O VAL A 29 -5.990 0.966 6.930 1.00 21.03 O ATOM 446 CB VAL A 29 -8.395 2.760 5.614 1.00 41.02 C ATOM 447 CG1 VAL A 29 -7.738 4.024 5.058 1.00 24.13 C ATOM 448 CG2 VAL A 29 -8.159 1.567 4.683 1.00 4.33 C ATOM 0 H VAL A 29 -8.676 4.348 7.535 1.00 10.30 H new ATOM 0 HA VAL A 29 -8.421 1.580 7.432 1.00 64.14 H new ATOM 0 HB VAL A 29 -9.469 2.937 5.668 1.00 41.02 H new ATOM 0 HG11 VAL A 29 -8.109 4.214 4.051 1.00 24.13 H new ATOM 0 HG12 VAL A 29 -7.979 4.872 5.699 1.00 24.13 H new ATOM 0 HG13 VAL A 29 -6.657 3.889 5.027 1.00 24.13 H new ATOM 0 HG21 VAL A 29 -8.520 1.809 3.683 1.00 4.33 H new ATOM 0 HG22 VAL A 29 -7.093 1.344 4.640 1.00 4.33 H new ATOM 0 HG23 VAL A 29 -8.696 0.698 5.062 1.00 4.33 H new ATOM 458 N ALA A 30 -5.552 3.171 7.099 1.00 11.34 N ATOM 459 CA ALA A 30 -4.093 3.009 7.032 1.00 72.15 C ATOM 460 C ALA A 30 -3.525 2.328 8.285 1.00 61.44 C ATOM 461 O ALA A 30 -2.697 1.425 8.187 1.00 23.21 O ATOM 462 CB ALA A 30 -3.426 4.363 6.831 1.00 71.33 C ATOM 0 H ALA A 30 -5.861 4.136 7.215 1.00 11.34 H new ATOM 0 HA ALA A 30 -3.878 2.362 6.182 1.00 72.15 H new ATOM 0 HB1 ALA A 30 -2.345 4.232 6.783 1.00 71.33 H new ATOM 0 HB2 ALA A 30 -3.780 4.808 5.901 1.00 71.33 H new ATOM 0 HB3 ALA A 30 -3.675 5.019 7.665 1.00 71.33 H new ATOM 468 N VAL A 31 -3.964 2.766 9.466 1.00 33.33 N ATOM 469 CA VAL A 31 -3.477 2.187 10.724 1.00 75.54 C ATOM 470 C VAL A 31 -3.879 0.706 10.850 1.00 43.13 C ATOM 471 O VAL A 31 -3.104 -0.121 11.330 1.00 13.34 O ATOM 472 CB VAL A 31 -3.960 2.989 11.966 1.00 14.44 C ATOM 473 CG1 VAL A 31 -5.479 2.946 12.117 1.00 34.45 C ATOM 474 CG2 VAL A 31 -3.270 2.490 13.237 1.00 22.20 C ATOM 0 H VAL A 31 -4.649 3.513 9.580 1.00 33.33 H new ATOM 0 HA VAL A 31 -2.389 2.249 10.696 1.00 75.54 H new ATOM 0 HB VAL A 31 -3.681 4.031 11.809 1.00 14.44 H new ATOM 0 HG11 VAL A 31 -5.774 3.518 12.997 1.00 34.45 H new ATOM 0 HG12 VAL A 31 -5.945 3.377 11.231 1.00 34.45 H new ATOM 0 HG13 VAL A 31 -5.804 1.912 12.232 1.00 34.45 H new ATOM 0 HG21 VAL A 31 -3.623 3.065 14.093 1.00 22.20 H new ATOM 0 HG22 VAL A 31 -3.503 1.436 13.388 1.00 22.20 H new ATOM 0 HG23 VAL A 31 -2.191 2.613 13.138 1.00 22.20 H new ATOM 484 N LEU A 32 -5.092 0.374 10.403 1.00 74.21 N ATOM 485 CA LEU A 32 -5.581 -1.014 10.420 1.00 24.54 C ATOM 486 C LEU A 32 -4.652 -1.961 9.634 1.00 72.20 C ATOM 487 O LEU A 32 -4.504 -3.134 9.990 1.00 50.50 O ATOM 488 CB LEU A 32 -7.008 -1.075 9.859 1.00 64.24 C ATOM 489 CG LEU A 32 -8.058 -0.293 10.669 1.00 40.02 C ATOM 490 CD1 LEU A 32 -9.413 -0.314 9.968 1.00 61.25 C ATOM 491 CD2 LEU A 32 -8.177 -0.850 12.089 1.00 41.21 C ATOM 0 H LEU A 32 -5.758 1.046 10.023 1.00 74.21 H new ATOM 0 HA LEU A 32 -5.587 -1.352 11.456 1.00 24.54 H new ATOM 0 HB2 LEU A 32 -6.998 -0.691 8.839 1.00 64.24 H new ATOM 0 HB3 LEU A 32 -7.317 -2.119 9.804 1.00 64.24 H new ATOM 0 HG LEU A 32 -7.726 0.743 10.736 1.00 40.02 H new ATOM 0 HD11 LEU A 32 -10.138 0.245 10.560 1.00 61.25 H new ATOM 0 HD12 LEU A 32 -9.320 0.142 8.983 1.00 61.25 H new ATOM 0 HD13 LEU A 32 -9.751 -1.345 9.860 1.00 61.25 H new ATOM 0 HD21 LEU A 32 -8.925 -0.281 12.641 1.00 41.21 H new ATOM 0 HD22 LEU A 32 -8.477 -1.897 12.045 1.00 41.21 H new ATOM 0 HD23 LEU A 32 -7.214 -0.769 12.593 1.00 41.21 H new ATOM 503 N GLU A 33 -4.029 -1.445 8.568 1.00 52.24 N ATOM 504 CA GLU A 33 -3.026 -2.208 7.803 1.00 31.31 C ATOM 505 C GLU A 33 -1.849 -2.635 8.695 1.00 42.14 C ATOM 506 O GLU A 33 -1.243 -3.690 8.487 1.00 1.03 O ATOM 507 CB GLU A 33 -2.505 -1.382 6.614 1.00 64.34 C ATOM 508 CG GLU A 33 -3.497 -1.246 5.460 1.00 41.22 C ATOM 509 CD GLU A 33 -3.746 -2.569 4.750 1.00 42.12 C ATOM 510 OE1 GLU A 33 -2.892 -2.982 3.938 1.00 13.12 O ATOM 511 OE2 GLU A 33 -4.791 -3.204 5.001 1.00 62.24 O1- ATOM 0 H GLU A 33 -4.199 -0.504 8.213 1.00 52.24 H new ATOM 0 HA GLU A 33 -3.516 -3.106 7.426 1.00 31.31 H new ATOM 0 HB2 GLU A 33 -2.238 -0.386 6.968 1.00 64.34 H new ATOM 0 HB3 GLU A 33 -1.591 -1.843 6.239 1.00 64.34 H new ATOM 0 HG2 GLU A 33 -4.442 -0.858 5.840 1.00 41.22 H new ATOM 0 HG3 GLU A 33 -3.118 -0.518 4.743 1.00 41.22 H new ATOM 518 N VAL A 34 -1.519 -1.799 9.674 1.00 1.52 N ATOM 519 CA VAL A 34 -0.450 -2.104 10.626 1.00 24.02 C ATOM 520 C VAL A 34 -0.852 -3.251 11.570 1.00 31.42 C ATOM 521 O VAL A 34 -0.112 -4.220 11.729 1.00 25.50 O ATOM 522 CB VAL A 34 -0.075 -0.858 11.465 1.00 61.51 C ATOM 523 CG1 VAL A 34 1.032 -1.184 12.462 1.00 61.05 C ATOM 524 CG2 VAL A 34 0.339 0.299 10.558 1.00 70.30 C ATOM 0 H VAL A 34 -1.977 -0.901 9.831 1.00 1.52 H new ATOM 0 HA VAL A 34 0.417 -2.414 10.042 1.00 24.02 H new ATOM 0 HB VAL A 34 -0.957 -0.553 12.028 1.00 61.51 H new ATOM 0 HG11 VAL A 34 1.277 -0.292 13.039 1.00 61.05 H new ATOM 0 HG12 VAL A 34 0.694 -1.971 13.137 1.00 61.05 H new ATOM 0 HG13 VAL A 34 1.918 -1.523 11.924 1.00 61.05 H new ATOM 0 HG21 VAL A 34 0.598 1.164 11.168 1.00 70.30 H new ATOM 0 HG22 VAL A 34 1.202 0.003 9.962 1.00 70.30 H new ATOM 0 HG23 VAL A 34 -0.488 0.556 9.896 1.00 70.30 H new ATOM 534 N ILE A 35 -2.036 -3.138 12.179 1.00 51.42 N ATOM 535 CA ILE A 35 -2.534 -4.163 13.113 1.00 14.15 C ATOM 536 C ILE A 35 -2.590 -5.550 12.451 1.00 22.23 C ATOM 537 O ILE A 35 -2.112 -6.538 13.016 1.00 3.22 O ATOM 538 CB ILE A 35 -3.942 -3.801 13.681 1.00 54.21 C ATOM 539 CG1 ILE A 35 -3.851 -2.660 14.715 1.00 12.44 C ATOM 540 CG2 ILE A 35 -4.611 -5.026 14.311 1.00 14.51 C ATOM 541 CD1 ILE A 35 -3.386 -1.333 14.151 1.00 12.11 C ATOM 0 H ILE A 35 -2.670 -2.350 12.045 1.00 51.42 H new ATOM 0 HA ILE A 35 -1.825 -4.193 13.940 1.00 14.15 H new ATOM 0 HB ILE A 35 -4.553 -3.461 12.845 1.00 54.21 H new ATOM 0 HG12 ILE A 35 -4.831 -2.522 15.172 1.00 12.44 H new ATOM 0 HG13 ILE A 35 -3.169 -2.961 15.510 1.00 12.44 H new ATOM 0 HG21 ILE A 35 -5.590 -4.746 14.699 1.00 14.51 H new ATOM 0 HG22 ILE A 35 -4.728 -5.805 13.557 1.00 14.51 H new ATOM 0 HG23 ILE A 35 -3.991 -5.400 15.126 1.00 14.51 H new ATOM 0 HD11 ILE A 35 -3.352 -0.591 14.948 1.00 12.11 H new ATOM 0 HD12 ILE A 35 -2.391 -1.449 13.721 1.00 12.11 H new ATOM 0 HD13 ILE A 35 -4.080 -1.003 13.378 1.00 12.11 H new ATOM 553 N SER A 36 -3.163 -5.615 11.248 1.00 33.23 N ATOM 554 CA SER A 36 -3.257 -6.879 10.500 1.00 25.21 C ATOM 555 C SER A 36 -1.864 -7.471 10.234 1.00 64.42 C ATOM 556 O SER A 36 -1.668 -8.688 10.289 1.00 40.54 O ATOM 557 CB SER A 36 -3.997 -6.668 9.169 1.00 24.01 C ATOM 558 OG SER A 36 -3.324 -5.721 8.351 1.00 34.11 O ATOM 0 H SER A 36 -3.569 -4.812 10.768 1.00 33.23 H new ATOM 0 HA SER A 36 -3.821 -7.583 11.112 1.00 25.21 H new ATOM 0 HB2 SER A 36 -4.077 -7.618 8.640 1.00 24.01 H new ATOM 0 HB3 SER A 36 -5.013 -6.326 9.365 1.00 24.01 H new ATOM 0 HG SER A 36 -2.730 -5.173 8.906 1.00 34.11 H new ATOM 564 N SER A 37 -0.900 -6.600 9.940 1.00 63.32 N ATOM 565 CA SER A 37 0.497 -7.017 9.741 1.00 2.04 C ATOM 566 C SER A 37 1.141 -7.514 11.049 1.00 30.45 C ATOM 567 O SER A 37 1.854 -8.517 11.052 1.00 15.12 O ATOM 568 CB SER A 37 1.329 -5.862 9.160 1.00 24.45 C ATOM 569 OG SER A 37 0.872 -5.490 7.865 1.00 31.35 O ATOM 0 H SER A 37 -1.056 -5.598 9.833 1.00 63.32 H new ATOM 0 HA SER A 37 0.486 -7.847 9.034 1.00 2.04 H new ATOM 0 HB2 SER A 37 1.275 -5.002 9.827 1.00 24.45 H new ATOM 0 HB3 SER A 37 2.377 -6.158 9.106 1.00 24.45 H new ATOM 0 HG SER A 37 0.127 -4.859 7.950 1.00 31.35 H new ATOM 575 N LEU A 38 0.878 -6.813 12.158 1.00 71.23 N ATOM 576 CA LEU A 38 1.458 -7.164 13.470 1.00 13.14 C ATOM 577 C LEU A 38 1.062 -8.579 13.921 1.00 0.34 C ATOM 578 O LEU A 38 1.828 -9.256 14.610 1.00 14.52 O ATOM 579 CB LEU A 38 1.045 -6.130 14.530 1.00 33.25 C ATOM 580 CG LEU A 38 1.633 -4.721 14.332 1.00 4.44 C ATOM 581 CD1 LEU A 38 1.126 -3.767 15.411 1.00 13.30 C ATOM 582 CD2 LEU A 38 3.162 -4.766 14.328 1.00 23.33 C ATOM 0 H LEU A 38 0.267 -5.997 12.178 1.00 71.23 H new ATOM 0 HA LEU A 38 2.542 -7.152 13.358 1.00 13.14 H new ATOM 0 HB2 LEU A 38 -0.042 -6.055 14.538 1.00 33.25 H new ATOM 0 HB3 LEU A 38 1.346 -6.498 15.511 1.00 33.25 H new ATOM 0 HG LEU A 38 1.301 -4.349 13.363 1.00 4.44 H new ATOM 0 HD11 LEU A 38 1.554 -2.777 15.252 1.00 13.30 H new ATOM 0 HD12 LEU A 38 0.039 -3.705 15.360 1.00 13.30 H new ATOM 0 HD13 LEU A 38 1.423 -4.137 16.392 1.00 13.30 H new ATOM 0 HD21 LEU A 38 3.555 -3.759 14.187 1.00 23.33 H new ATOM 0 HD22 LEU A 38 3.517 -5.164 15.279 1.00 23.33 H new ATOM 0 HD23 LEU A 38 3.505 -5.407 13.516 1.00 23.33 H new ATOM 594 N GLU A 39 -0.129 -9.027 13.533 1.00 43.52 N ATOM 595 CA GLU A 39 -0.547 -10.410 13.797 1.00 51.22 C ATOM 596 C GLU A 39 0.391 -11.409 13.100 1.00 2.14 C ATOM 597 O GLU A 39 0.591 -12.534 13.567 1.00 44.15 O ATOM 598 CB GLU A 39 -1.986 -10.646 13.318 1.00 44.25 C ATOM 599 CG GLU A 39 -3.025 -9.739 13.970 1.00 30.32 C ATOM 600 CD GLU A 39 -4.442 -10.073 13.527 1.00 52.04 C ATOM 601 OE1 GLU A 39 -4.849 -9.632 12.430 1.00 55.43 O ATOM 602 OE2 GLU A 39 -5.148 -10.791 14.268 1.00 4.12 O1- ATOM 0 H GLU A 39 -0.820 -8.462 13.039 1.00 43.52 H new ATOM 0 HA GLU A 39 -0.498 -10.567 14.874 1.00 51.22 H new ATOM 0 HB2 GLU A 39 -2.024 -10.504 12.238 1.00 44.25 H new ATOM 0 HB3 GLU A 39 -2.255 -11.684 13.513 1.00 44.25 H new ATOM 0 HG2 GLU A 39 -2.955 -9.830 15.054 1.00 30.32 H new ATOM 0 HG3 GLU A 39 -2.804 -8.701 13.722 1.00 30.32 H new ATOM 609 N LYS A 40 0.954 -10.991 11.969 1.00 52.25 N ATOM 610 CA LYS A 40 1.878 -11.828 11.196 1.00 2.23 C ATOM 611 C LYS A 40 3.346 -11.492 11.527 1.00 33.25 C ATOM 612 O LYS A 40 4.252 -12.283 11.261 1.00 3.51 O ATOM 613 CB LYS A 40 1.617 -11.634 9.696 1.00 64.10 C ATOM 614 CG LYS A 40 0.150 -11.816 9.305 1.00 44.41 C ATOM 615 CD LYS A 40 -0.070 -11.630 7.803 1.00 53.01 C ATOM 616 CE LYS A 40 -1.548 -11.716 7.432 1.00 40.11 C ATOM 617 NZ LYS A 40 -2.127 -13.055 7.728 1.00 21.23 N1+ ATOM 0 H LYS A 40 0.787 -10.071 11.562 1.00 52.25 H new ATOM 0 HA LYS A 40 1.705 -12.870 11.464 1.00 2.23 H new ATOM 0 HB2 LYS A 40 1.941 -10.635 9.405 1.00 64.10 H new ATOM 0 HB3 LYS A 40 2.225 -12.343 9.134 1.00 64.10 H new ATOM 0 HG2 LYS A 40 -0.183 -12.811 9.600 1.00 44.41 H new ATOM 0 HG3 LYS A 40 -0.463 -11.100 9.853 1.00 44.41 H new ATOM 0 HD2 LYS A 40 0.327 -10.663 7.495 1.00 53.01 H new ATOM 0 HD3 LYS A 40 0.487 -12.392 7.257 1.00 53.01 H new ATOM 0 HE2 LYS A 40 -2.103 -10.954 7.979 1.00 40.11 H new ATOM 0 HE3 LYS A 40 -1.667 -11.497 6.371 1.00 40.11 H new ATOM 0 HZ1 LYS A 40 -3.101 -13.099 7.367 1.00 21.23 H new ATOM 0 HZ2 LYS A 40 -1.554 -13.791 7.268 1.00 21.23 H new ATOM 0 HZ3 LYS A 40 -2.131 -13.212 8.756 1.00 21.23 H new ATOM 631 N TYR A 41 3.570 -10.311 12.107 1.00 72.11 N ATOM 632 CA TYR A 41 4.915 -9.871 12.506 1.00 41.43 C ATOM 633 C TYR A 41 4.939 -9.423 13.979 1.00 51.45 C ATOM 634 O TYR A 41 4.763 -8.240 14.282 1.00 4.15 O ATOM 635 CB TYR A 41 5.398 -8.713 11.614 1.00 12.34 C ATOM 636 CG TYR A 41 5.474 -9.047 10.135 1.00 41.22 C ATOM 637 CD1 TYR A 41 4.608 -8.454 9.219 1.00 23.30 C ATOM 638 CD2 TYR A 41 6.420 -9.946 9.654 1.00 30.42 C ATOM 639 CE1 TYR A 41 4.683 -8.748 7.872 1.00 54.42 C ATOM 640 CE2 TYR A 41 6.498 -10.245 8.308 1.00 3.15 C ATOM 641 CZ TYR A 41 5.629 -9.643 7.422 1.00 52.10 C ATOM 642 OH TYR A 41 5.710 -9.933 6.077 1.00 73.23 O ATOM 0 H TYR A 41 2.834 -9.636 12.313 1.00 72.11 H new ATOM 0 HA TYR A 41 5.585 -10.722 12.385 1.00 41.43 H new ATOM 0 HB2 TYR A 41 4.728 -7.864 11.748 1.00 12.34 H new ATOM 0 HB3 TYR A 41 6.384 -8.397 11.953 1.00 12.34 H new ATOM 0 HD1 TYR A 41 3.865 -7.752 9.568 1.00 23.30 H new ATOM 0 HD2 TYR A 41 7.104 -10.418 10.344 1.00 30.42 H new ATOM 0 HE1 TYR A 41 4.004 -8.279 7.175 1.00 54.42 H new ATOM 0 HE2 TYR A 41 7.236 -10.947 7.951 1.00 3.15 H new ATOM 0 HH TYR A 41 6.429 -10.581 5.925 1.00 73.23 H new ATOM 652 N PRO A 42 5.133 -10.363 14.924 1.00 2.24 N ATOM 653 CA PRO A 42 5.231 -10.028 16.350 1.00 30.30 C ATOM 654 C PRO A 42 6.610 -9.454 16.725 1.00 12.23 C ATOM 655 O PRO A 42 7.648 -9.916 16.239 1.00 64.14 O ATOM 656 CB PRO A 42 4.973 -11.372 17.033 1.00 71.11 C ATOM 657 CG PRO A 42 5.496 -12.386 16.071 1.00 1.20 C ATOM 658 CD PRO A 42 5.256 -11.818 14.690 1.00 21.01 C ATOM 0 HA PRO A 42 4.530 -9.248 16.649 1.00 30.30 H new ATOM 0 HB2 PRO A 42 5.485 -11.434 17.993 1.00 71.11 H new ATOM 0 HB3 PRO A 42 3.911 -11.521 17.228 1.00 71.11 H new ATOM 0 HG2 PRO A 42 6.557 -12.570 16.238 1.00 1.20 H new ATOM 0 HG3 PRO A 42 4.984 -13.340 16.194 1.00 1.20 H new ATOM 0 HD2 PRO A 42 6.081 -12.046 14.015 1.00 21.01 H new ATOM 0 HD3 PRO A 42 4.352 -12.229 14.240 1.00 21.01 H new ATOM 666 N ILE A 43 6.612 -8.452 17.598 1.00 43.41 N ATOM 667 CA ILE A 43 7.828 -7.703 17.929 1.00 52.34 C ATOM 668 C ILE A 43 8.497 -8.223 19.213 1.00 43.34 C ATOM 669 O ILE A 43 7.829 -8.697 20.128 1.00 10.11 O ATOM 670 CB ILE A 43 7.490 -6.199 18.091 1.00 52.24 C ATOM 671 CG1 ILE A 43 6.755 -5.691 16.839 1.00 71.33 C ATOM 672 CG2 ILE A 43 8.752 -5.375 18.347 1.00 31.51 C ATOM 673 CD1 ILE A 43 6.268 -4.263 16.948 1.00 24.51 C ATOM 0 H ILE A 43 5.780 -8.135 18.095 1.00 43.41 H new ATOM 0 HA ILE A 43 8.532 -7.843 17.109 1.00 52.34 H new ATOM 0 HB ILE A 43 6.838 -6.083 18.957 1.00 52.24 H new ATOM 0 HG12 ILE A 43 7.422 -5.772 15.981 1.00 71.33 H new ATOM 0 HG13 ILE A 43 5.902 -6.341 16.642 1.00 71.33 H new ATOM 0 HG21 ILE A 43 8.484 -4.324 18.457 1.00 31.51 H new ATOM 0 HG22 ILE A 43 9.235 -5.723 19.260 1.00 31.51 H new ATOM 0 HG23 ILE A 43 9.438 -5.489 17.507 1.00 31.51 H new ATOM 0 HD11 ILE A 43 5.761 -3.980 16.026 1.00 24.51 H new ATOM 0 HD12 ILE A 43 5.574 -4.178 17.784 1.00 24.51 H new ATOM 0 HD13 ILE A 43 7.118 -3.600 17.113 1.00 24.51 H new ATOM 685 N THR A 44 9.824 -8.138 19.272 1.00 24.12 N ATOM 686 CA THR A 44 10.571 -8.531 20.475 1.00 21.45 C ATOM 687 C THR A 44 10.689 -7.357 21.453 1.00 70.44 C ATOM 688 O THR A 44 10.567 -6.199 21.058 1.00 44.22 O ATOM 689 CB THR A 44 12.000 -9.014 20.129 1.00 62.01 C ATOM 690 OG1 THR A 44 12.771 -7.921 19.599 1.00 74.05 O ATOM 691 CG2 THR A 44 11.962 -10.158 19.118 1.00 21.44 C ATOM 0 H THR A 44 10.407 -7.802 18.506 1.00 24.12 H new ATOM 0 HA THR A 44 10.014 -9.348 20.933 1.00 21.45 H new ATOM 0 HB THR A 44 12.467 -9.380 21.043 1.00 62.01 H new ATOM 0 HG1 THR A 44 13.675 -8.232 19.384 1.00 74.05 H new ATOM 0 HG21 THR A 44 12.979 -10.478 18.892 1.00 21.44 H new ATOM 0 HG22 THR A 44 11.402 -10.995 19.536 1.00 21.44 H new ATOM 0 HG23 THR A 44 11.477 -9.819 18.203 1.00 21.44 H new ATOM 699 N LYS A 45 10.950 -7.655 22.725 1.00 63.14 N ATOM 700 CA LYS A 45 11.131 -6.611 23.743 1.00 43.14 C ATOM 701 C LYS A 45 12.303 -5.675 23.388 1.00 51.42 C ATOM 702 O LYS A 45 12.234 -4.468 23.613 1.00 23.30 O ATOM 703 CB LYS A 45 11.336 -7.261 25.124 1.00 51.33 C ATOM 704 CG LYS A 45 11.568 -6.283 26.282 1.00 71.53 C ATOM 705 CD LYS A 45 13.052 -5.969 26.490 1.00 35.24 C ATOM 706 CE LYS A 45 13.271 -5.006 27.649 1.00 73.44 C ATOM 707 NZ LYS A 45 14.714 -4.756 27.896 1.00 20.42 N1+ ATOM 0 H LYS A 45 11.041 -8.607 23.079 1.00 63.14 H new ATOM 0 HA LYS A 45 10.231 -5.997 23.774 1.00 43.14 H new ATOM 0 HB2 LYS A 45 10.461 -7.869 25.354 1.00 51.33 H new ATOM 0 HB3 LYS A 45 12.189 -7.938 25.066 1.00 51.33 H new ATOM 0 HG2 LYS A 45 11.027 -5.357 26.086 1.00 71.53 H new ATOM 0 HG3 LYS A 45 11.156 -6.705 27.199 1.00 71.53 H new ATOM 0 HD2 LYS A 45 13.596 -6.894 26.679 1.00 35.24 H new ATOM 0 HD3 LYS A 45 13.463 -5.538 25.577 1.00 35.24 H new ATOM 0 HE2 LYS A 45 12.770 -4.062 27.436 1.00 73.44 H new ATOM 0 HE3 LYS A 45 12.813 -5.413 28.551 1.00 73.44 H new ATOM 0 HZ1 LYS A 45 14.821 -4.096 28.692 1.00 20.42 H new ATOM 0 HZ2 LYS A 45 15.188 -5.653 28.124 1.00 20.42 H new ATOM 0 HZ3 LYS A 45 15.146 -4.344 27.044 1.00 20.42 H new ATOM 721 N GLU A 46 13.372 -6.238 22.824 1.00 12.45 N ATOM 722 CA GLU A 46 14.540 -5.445 22.410 1.00 44.22 C ATOM 723 C GLU A 46 14.165 -4.417 21.330 1.00 72.13 C ATOM 724 O GLU A 46 14.523 -3.239 21.423 1.00 12.34 O ATOM 725 CB GLU A 46 15.648 -6.372 21.891 1.00 24.53 C ATOM 726 CG GLU A 46 16.925 -5.645 21.471 1.00 63.11 C ATOM 727 CD GLU A 46 17.998 -6.598 20.971 1.00 35.11 C ATOM 728 OE1 GLU A 46 18.722 -7.179 21.809 1.00 31.22 O ATOM 729 OE2 GLU A 46 18.120 -6.777 19.737 1.00 21.43 O1- ATOM 0 H GLU A 46 13.458 -7.238 22.642 1.00 12.45 H new ATOM 0 HA GLU A 46 14.903 -4.900 23.282 1.00 44.22 H new ATOM 0 HB2 GLU A 46 15.894 -7.096 22.667 1.00 24.53 H new ATOM 0 HB3 GLU A 46 15.266 -6.935 21.039 1.00 24.53 H new ATOM 0 HG2 GLU A 46 16.689 -4.925 20.687 1.00 63.11 H new ATOM 0 HG3 GLU A 46 17.312 -5.079 22.318 1.00 63.11 H new ATOM 736 N ALA A 47 13.436 -4.870 20.310 1.00 61.44 N ATOM 737 CA ALA A 47 12.950 -3.986 19.246 1.00 72.01 C ATOM 738 C ALA A 47 11.870 -3.023 19.769 1.00 63.25 C ATOM 739 O ALA A 47 11.767 -1.877 19.324 1.00 61.15 O ATOM 740 CB ALA A 47 12.413 -4.815 18.088 1.00 20.32 C ATOM 0 H ALA A 47 13.167 -5.847 20.196 1.00 61.44 H new ATOM 0 HA ALA A 47 13.787 -3.383 18.894 1.00 72.01 H new ATOM 0 HB1 ALA A 47 12.054 -4.151 17.301 1.00 20.32 H new ATOM 0 HB2 ALA A 47 13.208 -5.448 17.694 1.00 20.32 H new ATOM 0 HB3 ALA A 47 11.592 -5.440 18.438 1.00 20.32 H new ATOM 746 N LEU A 48 11.070 -3.509 20.717 1.00 64.21 N ATOM 747 CA LEU A 48 10.012 -2.712 21.352 1.00 52.51 C ATOM 748 C LEU A 48 10.601 -1.468 22.042 1.00 42.13 C ATOM 749 O LEU A 48 10.081 -0.355 21.908 1.00 43.21 O ATOM 750 CB LEU A 48 9.284 -3.587 22.385 1.00 20.01 C ATOM 751 CG LEU A 48 8.044 -2.967 23.043 1.00 13.01 C ATOM 752 CD1 LEU A 48 6.905 -2.844 22.035 1.00 70.31 C ATOM 753 CD2 LEU A 48 7.615 -3.792 24.254 1.00 65.30 C ATOM 0 H LEU A 48 11.134 -4.464 21.069 1.00 64.21 H new ATOM 0 HA LEU A 48 9.313 -2.374 20.587 1.00 52.51 H new ATOM 0 HB2 LEU A 48 8.986 -4.516 21.898 1.00 20.01 H new ATOM 0 HB3 LEU A 48 9.992 -3.852 23.170 1.00 20.01 H new ATOM 0 HG LEU A 48 8.299 -1.964 23.387 1.00 13.01 H new ATOM 0 HD11 LEU A 48 6.035 -2.402 22.521 1.00 70.31 H new ATOM 0 HD12 LEU A 48 7.219 -2.209 21.207 1.00 70.31 H new ATOM 0 HD13 LEU A 48 6.646 -3.833 21.656 1.00 70.31 H new ATOM 0 HD21 LEU A 48 6.734 -3.339 24.709 1.00 65.30 H new ATOM 0 HD22 LEU A 48 7.378 -4.808 23.937 1.00 65.30 H new ATOM 0 HD23 LEU A 48 8.426 -3.819 24.982 1.00 65.30 H new ATOM 765 N GLU A 49 11.699 -1.679 22.764 1.00 4.43 N ATOM 766 CA GLU A 49 12.424 -0.596 23.443 1.00 25.21 C ATOM 767 C GLU A 49 13.035 0.393 22.441 1.00 4.22 C ATOM 768 O GLU A 49 12.927 1.611 22.604 1.00 52.32 O ATOM 769 CB GLU A 49 13.535 -1.191 24.323 1.00 14.34 C ATOM 770 CG GLU A 49 13.021 -2.037 25.480 1.00 24.43 C ATOM 771 CD GLU A 49 12.332 -1.207 26.551 1.00 45.22 C ATOM 772 OE1 GLU A 49 13.017 -0.790 27.512 1.00 11.42 O ATOM 773 OE2 GLU A 49 11.115 -0.957 26.434 1.00 21.31 O1- ATOM 0 H GLU A 49 12.114 -2.601 22.898 1.00 4.43 H new ATOM 0 HA GLU A 49 11.710 -0.050 24.060 1.00 25.21 H new ATOM 0 HB2 GLU A 49 14.189 -1.803 23.701 1.00 14.34 H new ATOM 0 HB3 GLU A 49 14.143 -0.379 24.722 1.00 14.34 H new ATOM 0 HG2 GLU A 49 12.323 -2.782 25.098 1.00 24.43 H new ATOM 0 HG3 GLU A 49 13.854 -2.580 25.926 1.00 24.43 H new ATOM 780 N GLU A 50 13.670 -0.141 21.403 1.00 55.00 N ATOM 781 CA GLU A 50 14.326 0.682 20.381 1.00 72.44 C ATOM 782 C GLU A 50 13.339 1.645 19.704 1.00 23.01 C ATOM 783 O GLU A 50 13.638 2.826 19.499 1.00 71.43 O ATOM 784 CB GLU A 50 14.965 -0.224 19.319 1.00 11.41 C ATOM 785 CG GLU A 50 15.674 0.535 18.201 1.00 65.24 C ATOM 786 CD GLU A 50 16.176 -0.381 17.095 1.00 20.22 C ATOM 787 OE1 GLU A 50 15.550 -0.418 16.014 1.00 1.34 O ATOM 788 OE2 GLU A 50 17.198 -1.068 17.301 1.00 53.40 O1- ATOM 0 H GLU A 50 13.747 -1.145 21.243 1.00 55.00 H new ATOM 0 HA GLU A 50 15.092 1.278 20.877 1.00 72.44 H new ATOM 0 HB2 GLU A 50 15.681 -0.887 19.805 1.00 11.41 H new ATOM 0 HB3 GLU A 50 14.192 -0.855 18.882 1.00 11.41 H new ATOM 0 HG2 GLU A 50 14.990 1.270 17.776 1.00 65.24 H new ATOM 0 HG3 GLU A 50 16.515 1.087 18.619 1.00 65.24 H new ATOM 795 N THR A 51 12.159 1.135 19.372 1.00 23.32 N ATOM 796 CA THR A 51 11.158 1.904 18.618 1.00 73.54 C ATOM 797 C THR A 51 10.122 2.594 19.524 1.00 71.43 C ATOM 798 O THR A 51 9.260 3.326 19.030 1.00 65.42 O ATOM 799 CB THR A 51 10.421 0.997 17.604 1.00 74.42 C ATOM 800 OG1 THR A 51 9.854 -0.134 18.282 1.00 14.22 O ATOM 801 CG2 THR A 51 11.366 0.514 16.507 1.00 51.25 C ATOM 0 H THR A 51 11.865 0.188 19.611 1.00 23.32 H new ATOM 0 HA THR A 51 11.710 2.683 18.092 1.00 73.54 H new ATOM 0 HB THR A 51 9.628 1.584 17.141 1.00 74.42 H new ATOM 0 HG1 THR A 51 10.567 -0.761 18.524 1.00 14.22 H new ATOM 0 HG21 THR A 51 10.820 -0.121 15.810 1.00 51.25 H new ATOM 0 HG22 THR A 51 11.773 1.373 15.973 1.00 51.25 H new ATOM 0 HG23 THR A 51 12.181 -0.055 16.954 1.00 51.25 H new ATOM 809 N ARG A 52 10.209 2.369 20.841 1.00 24.33 N ATOM 810 CA ARG A 52 9.277 2.981 21.811 1.00 51.33 C ATOM 811 C ARG A 52 7.817 2.549 21.573 1.00 42.20 C ATOM 812 O ARG A 52 6.878 3.252 21.958 1.00 63.14 O ATOM 813 CB ARG A 52 9.388 4.522 21.781 1.00 71.31 C ATOM 814 CG ARG A 52 10.372 5.099 22.795 1.00 21.24 C ATOM 815 CD ARG A 52 11.798 4.603 22.581 1.00 53.33 C ATOM 816 NE ARG A 52 12.689 5.080 23.636 1.00 43.13 N ATOM 817 CZ ARG A 52 13.983 4.946 23.627 1.00 25.42 C ATOM 818 NH1 ARG A 52 14.578 4.342 22.649 1.00 71.04 N1+ ATOM 819 NH2 ARG A 52 14.677 5.406 24.614 1.00 0.14 N ATOM 0 H ARG A 52 10.915 1.767 21.265 1.00 24.33 H new ATOM 0 HA ARG A 52 9.568 2.621 22.798 1.00 51.33 H new ATOM 0 HB2 ARG A 52 9.690 4.834 20.781 1.00 71.31 H new ATOM 0 HB3 ARG A 52 8.402 4.950 21.964 1.00 71.31 H new ATOM 0 HG2 ARG A 52 10.357 6.187 22.731 1.00 21.24 H new ATOM 0 HG3 ARG A 52 10.047 4.834 23.801 1.00 21.24 H new ATOM 0 HD2 ARG A 52 11.807 3.513 22.559 1.00 53.33 H new ATOM 0 HD3 ARG A 52 12.163 4.944 21.612 1.00 53.33 H new ATOM 0 HE ARG A 52 12.267 5.551 24.436 1.00 43.13 H new ATOM 0 HH11 ARG A 52 14.032 3.965 21.874 1.00 71.04 H new ATOM 0 HH12 ARG A 52 15.593 4.243 22.653 1.00 71.04 H new ATOM 0 HH21 ARG A 52 14.210 5.870 25.393 1.00 0.14 H new ATOM 0 HH22 ARG A 52 15.692 5.305 24.615 1.00 0.14 H new ATOM 833 N LEU A 53 7.627 1.374 20.982 1.00 12.30 N ATOM 834 CA LEU A 53 6.279 0.857 20.715 1.00 32.32 C ATOM 835 C LEU A 53 5.604 0.335 21.996 1.00 54.03 C ATOM 836 O LEU A 53 4.443 -0.074 21.975 1.00 44.43 O ATOM 837 CB LEU A 53 6.319 -0.228 19.630 1.00 33.15 C ATOM 838 CG LEU A 53 6.830 0.249 18.259 1.00 52.24 C ATOM 839 CD1 LEU A 53 6.798 -0.883 17.239 1.00 43.44 C ATOM 840 CD2 LEU A 53 6.029 1.448 17.755 1.00 5.42 C ATOM 0 H LEU A 53 8.383 0.760 20.678 1.00 12.30 H new ATOM 0 HA LEU A 53 5.675 1.686 20.348 1.00 32.32 H new ATOM 0 HB2 LEU A 53 6.954 -1.044 19.975 1.00 33.15 H new ATOM 0 HB3 LEU A 53 5.316 -0.636 19.506 1.00 33.15 H new ATOM 0 HG LEU A 53 7.865 0.565 18.387 1.00 52.24 H new ATOM 0 HD11 LEU A 53 7.164 -0.518 16.279 1.00 43.44 H new ATOM 0 HD12 LEU A 53 7.432 -1.700 17.583 1.00 43.44 H new ATOM 0 HD13 LEU A 53 5.775 -1.241 17.125 1.00 43.44 H new ATOM 0 HD21 LEU A 53 6.414 1.761 16.785 1.00 5.42 H new ATOM 0 HD22 LEU A 53 4.980 1.169 17.656 1.00 5.42 H new ATOM 0 HD23 LEU A 53 6.120 2.271 18.464 1.00 5.42 H new ATOM 852 N GLY A 54 6.337 0.356 23.113 1.00 30.03 N ATOM 853 CA GLY A 54 5.771 -0.050 24.400 1.00 32.13 C ATOM 854 C GLY A 54 4.541 0.774 24.778 1.00 30.44 C ATOM 855 O GLY A 54 3.610 0.266 25.411 1.00 62.14 O ATOM 0 H GLY A 54 7.314 0.647 23.152 1.00 30.03 H new ATOM 0 HA2 GLY A 54 5.500 -1.105 24.359 1.00 32.13 H new ATOM 0 HA3 GLY A 54 6.528 0.055 25.177 1.00 32.13 H new ATOM 859 N LYS A 55 4.532 2.046 24.371 1.00 31.42 N ATOM 860 CA LYS A 55 3.351 2.904 24.523 1.00 44.41 C ATOM 861 C LYS A 55 2.136 2.267 23.835 1.00 74.10 C ATOM 862 O LYS A 55 1.047 2.206 24.401 1.00 13.42 O ATOM 863 CB LYS A 55 3.635 4.288 23.905 1.00 60.34 C ATOM 864 CG LYS A 55 2.386 5.133 23.620 1.00 33.51 C ATOM 865 CD LYS A 55 2.744 6.452 22.928 1.00 21.32 C ATOM 866 CE LYS A 55 1.511 7.191 22.401 1.00 40.55 C ATOM 867 NZ LYS A 55 0.576 7.594 23.487 1.00 72.31 N1+ ATOM 0 H LYS A 55 5.330 2.506 23.933 1.00 31.42 H new ATOM 0 HA LYS A 55 3.131 3.018 25.585 1.00 44.41 H new ATOM 0 HB2 LYS A 55 4.287 4.844 24.578 1.00 60.34 H new ATOM 0 HB3 LYS A 55 4.183 4.149 22.973 1.00 60.34 H new ATOM 0 HG2 LYS A 55 1.698 4.567 22.992 1.00 33.51 H new ATOM 0 HG3 LYS A 55 1.866 5.341 24.555 1.00 33.51 H new ATOM 0 HD2 LYS A 55 3.276 7.094 23.630 1.00 21.32 H new ATOM 0 HD3 LYS A 55 3.425 6.251 22.101 1.00 21.32 H new ATOM 0 HE2 LYS A 55 1.830 8.078 21.854 1.00 40.55 H new ATOM 0 HE3 LYS A 55 0.985 6.552 21.692 1.00 40.55 H new ATOM 0 HZ1 LYS A 55 -0.206 8.149 23.084 1.00 72.31 H new ATOM 0 HZ2 LYS A 55 0.195 6.744 23.950 1.00 72.31 H new ATOM 0 HZ3 LYS A 55 1.085 8.171 24.187 1.00 72.31 H new ATOM 881 N LEU A 56 2.357 1.759 22.625 1.00 74.12 N ATOM 882 CA LEU A 56 1.293 1.157 21.814 1.00 1.12 C ATOM 883 C LEU A 56 0.597 -0.012 22.523 1.00 51.43 C ATOM 884 O LEU A 56 -0.585 -0.234 22.312 1.00 74.43 O ATOM 885 CB LEU A 56 1.826 0.704 20.450 1.00 13.22 C ATOM 886 CG LEU A 56 2.038 1.825 19.420 1.00 44.31 C ATOM 887 CD1 LEU A 56 3.115 2.808 19.876 1.00 43.22 C ATOM 888 CD2 LEU A 56 2.379 1.230 18.060 1.00 24.44 C ATOM 0 H LEU A 56 3.273 1.751 22.177 1.00 74.12 H new ATOM 0 HA LEU A 56 0.547 1.937 21.663 1.00 1.12 H new ATOM 0 HB2 LEU A 56 2.775 0.189 20.602 1.00 13.22 H new ATOM 0 HB3 LEU A 56 1.132 -0.025 20.031 1.00 13.22 H new ATOM 0 HG LEU A 56 1.108 2.386 19.331 1.00 44.31 H new ATOM 0 HD11 LEU A 56 3.239 3.587 19.124 1.00 43.22 H new ATOM 0 HD12 LEU A 56 2.817 3.261 20.822 1.00 43.22 H new ATOM 0 HD13 LEU A 56 4.059 2.278 20.008 1.00 43.22 H new ATOM 0 HD21 LEU A 56 2.527 2.033 17.338 1.00 24.44 H new ATOM 0 HD22 LEU A 56 3.292 0.641 18.139 1.00 24.44 H new ATOM 0 HD23 LEU A 56 1.562 0.590 17.728 1.00 24.44 H new ATOM 900 N ILE A 57 1.317 -0.759 23.355 1.00 61.04 N ATOM 901 CA ILE A 57 0.708 -1.894 24.063 1.00 75.03 C ATOM 902 C ILE A 57 -0.498 -1.429 24.901 1.00 54.12 C ATOM 903 O ILE A 57 -1.565 -2.044 24.876 1.00 51.41 O ATOM 904 CB ILE A 57 1.740 -2.590 24.993 1.00 43.15 C ATOM 905 CG1 ILE A 57 2.907 -3.160 24.166 1.00 44.31 C ATOM 906 CG2 ILE A 57 1.076 -3.686 25.830 1.00 13.04 C ATOM 907 CD1 ILE A 57 3.968 -3.853 24.996 1.00 23.12 C ATOM 0 H ILE A 57 2.305 -0.608 23.557 1.00 61.04 H new ATOM 0 HA ILE A 57 0.371 -2.607 23.310 1.00 75.03 H new ATOM 0 HB ILE A 57 2.137 -1.844 25.681 1.00 43.15 H new ATOM 0 HG12 ILE A 57 2.511 -3.867 23.437 1.00 44.31 H new ATOM 0 HG13 ILE A 57 3.371 -2.349 23.604 1.00 44.31 H new ATOM 0 HG21 ILE A 57 1.822 -4.156 26.471 1.00 13.04 H new ATOM 0 HG22 ILE A 57 0.291 -3.248 26.447 1.00 13.04 H new ATOM 0 HG23 ILE A 57 0.642 -4.436 25.169 1.00 13.04 H new ATOM 0 HD11 ILE A 57 4.755 -4.227 24.341 1.00 23.12 H new ATOM 0 HD12 ILE A 57 4.393 -3.145 25.707 1.00 23.12 H new ATOM 0 HD13 ILE A 57 3.520 -4.686 25.537 1.00 23.12 H new ATOM 919 N ASN A 58 -0.315 -0.341 25.640 1.00 62.34 N ATOM 920 CA ASN A 58 -1.415 0.314 26.360 1.00 52.22 C ATOM 921 C ASN A 58 -2.332 1.098 25.400 1.00 42.54 C ATOM 922 O ASN A 58 -3.561 1.051 25.496 1.00 35.13 O ATOM 923 CB ASN A 58 -0.848 1.268 27.415 1.00 63.22 C ATOM 924 CG ASN A 58 0.160 0.592 28.325 1.00 3.42 C ATOM 925 OD1 ASN A 58 -0.194 0.024 29.356 1.00 72.33 O ATOM 926 ND2 ASN A 58 1.427 0.649 27.957 1.00 13.52 N ATOM 0 H ASN A 58 0.590 0.114 25.760 1.00 62.34 H new ATOM 0 HA ASN A 58 -2.009 -0.463 26.840 1.00 52.22 H new ATOM 0 HB2 ASN A 58 -0.374 2.114 26.918 1.00 63.22 H new ATOM 0 HB3 ASN A 58 -1.665 1.668 28.016 1.00 63.22 H new ATOM 0 HD21 ASN A 58 2.146 0.213 28.535 1.00 13.52 H new ATOM 0 HD22 ASN A 58 1.687 1.129 27.095 1.00 13.52 H new ATOM 933 N ASP A 59 -1.698 1.803 24.469 1.00 20.44 N ATOM 934 CA ASP A 59 -2.355 2.812 23.632 1.00 12.12 C ATOM 935 C ASP A 59 -3.333 2.198 22.605 1.00 51.43 C ATOM 936 O ASP A 59 -4.434 2.710 22.399 1.00 23.20 O ATOM 937 CB ASP A 59 -1.265 3.625 22.917 1.00 43.24 C ATOM 938 CG ASP A 59 -1.649 5.075 22.694 1.00 70.10 C ATOM 939 OD1 ASP A 59 -1.534 5.877 23.650 1.00 72.01 O ATOM 940 OD2 ASP A 59 -2.028 5.431 21.567 1.00 63.13 O1- ATOM 0 H ASP A 59 -0.704 1.692 24.269 1.00 20.44 H new ATOM 0 HA ASP A 59 -2.959 3.452 24.275 1.00 12.12 H new ATOM 0 HB2 ASP A 59 -0.348 3.585 23.504 1.00 43.24 H new ATOM 0 HB3 ASP A 59 -1.048 3.161 21.955 1.00 43.24 H new ATOM 945 N VAL A 60 -2.939 1.093 21.980 1.00 44.43 N ATOM 946 CA VAL A 60 -3.746 0.472 20.922 1.00 3.34 C ATOM 947 C VAL A 60 -5.070 -0.070 21.476 1.00 53.32 C ATOM 948 O VAL A 60 -6.074 -0.134 20.769 1.00 52.43 O ATOM 949 CB VAL A 60 -2.975 -0.675 20.210 1.00 44.41 C ATOM 950 CG1 VAL A 60 -2.788 -1.880 21.136 1.00 62.10 C ATOM 951 CG2 VAL A 60 -3.676 -1.082 18.911 1.00 72.11 C ATOM 0 H VAL A 60 -2.067 0.605 22.184 1.00 44.43 H new ATOM 0 HA VAL A 60 -3.959 1.253 20.193 1.00 3.34 H new ATOM 0 HB VAL A 60 -1.984 -0.300 19.955 1.00 44.41 H new ATOM 0 HG11 VAL A 60 -2.246 -2.664 20.608 1.00 62.10 H new ATOM 0 HG12 VAL A 60 -2.222 -1.577 22.017 1.00 62.10 H new ATOM 0 HG13 VAL A 60 -3.763 -2.257 21.443 1.00 62.10 H new ATOM 0 HG21 VAL A 60 -3.117 -1.886 18.432 1.00 72.11 H new ATOM 0 HG22 VAL A 60 -4.686 -1.426 19.135 1.00 72.11 H new ATOM 0 HG23 VAL A 60 -3.725 -0.224 18.240 1.00 72.11 H new ATOM 961 N ARG A 61 -5.072 -0.440 22.755 1.00 73.50 N ATOM 962 CA ARG A 61 -6.272 -0.974 23.398 1.00 52.34 C ATOM 963 C ARG A 61 -7.370 0.099 23.496 1.00 70.13 C ATOM 964 O ARG A 61 -8.558 -0.202 23.409 1.00 62.43 O ATOM 965 CB ARG A 61 -5.927 -1.522 24.790 1.00 20.41 C ATOM 966 CG ARG A 61 -7.048 -2.341 25.423 1.00 62.10 C ATOM 967 CD ARG A 61 -6.643 -2.902 26.782 1.00 62.14 C ATOM 968 NE ARG A 61 -5.433 -3.722 26.702 1.00 2.35 N ATOM 969 CZ ARG A 61 -4.371 -3.528 27.438 1.00 34.33 C ATOM 970 NH1 ARG A 61 -4.313 -2.521 28.249 1.00 11.52 N1+ ATOM 971 NH2 ARG A 61 -3.359 -4.327 27.341 1.00 13.23 N ATOM 0 H ARG A 61 -4.258 -0.380 23.366 1.00 73.50 H new ATOM 0 HA ARG A 61 -6.655 -1.790 22.785 1.00 52.34 H new ATOM 0 HB2 ARG A 61 -5.034 -2.142 24.715 1.00 20.41 H new ATOM 0 HB3 ARG A 61 -5.682 -0.688 25.448 1.00 20.41 H new ATOM 0 HG2 ARG A 61 -7.934 -1.717 25.537 1.00 62.10 H new ATOM 0 HG3 ARG A 61 -7.319 -3.161 24.758 1.00 62.10 H new ATOM 0 HD2 ARG A 61 -6.478 -2.080 27.478 1.00 62.14 H new ATOM 0 HD3 ARG A 61 -7.460 -3.501 27.184 1.00 62.14 H new ATOM 0 HE ARG A 61 -5.418 -4.491 26.032 1.00 2.35 H new ATOM 0 HH11 ARG A 61 -5.099 -1.874 28.316 1.00 11.52 H new ATOM 0 HH12 ARG A 61 -3.482 -2.374 28.821 1.00 11.52 H new ATOM 0 HH21 ARG A 61 -3.389 -5.111 26.689 1.00 13.23 H new ATOM 0 HH22 ARG A 61 -2.531 -4.174 27.917 1.00 13.23 H new ATOM 985 N LYS A 62 -6.965 1.352 23.700 1.00 30.53 N ATOM 986 CA LYS A 62 -7.907 2.480 23.691 1.00 11.32 C ATOM 987 C LYS A 62 -8.080 3.073 22.275 1.00 74.14 C ATOM 988 O LYS A 62 -9.094 3.711 21.979 1.00 0.10 O ATOM 989 CB LYS A 62 -7.464 3.556 24.698 1.00 31.23 C ATOM 990 CG LYS A 62 -6.040 4.067 24.495 1.00 62.13 C ATOM 991 CD LYS A 62 -5.570 4.930 25.665 1.00 2.03 C ATOM 992 CE LYS A 62 -6.458 6.152 25.874 1.00 33.34 C ATOM 993 NZ LYS A 62 -6.090 6.901 27.105 1.00 45.31 N1+ ATOM 0 H LYS A 62 -5.995 1.615 23.873 1.00 30.53 H new ATOM 0 HA LYS A 62 -8.883 2.103 23.997 1.00 11.32 H new ATOM 0 HB2 LYS A 62 -8.151 4.400 24.635 1.00 31.23 H new ATOM 0 HB3 LYS A 62 -7.550 3.150 25.706 1.00 31.23 H new ATOM 0 HG2 LYS A 62 -5.364 3.220 24.375 1.00 62.13 H new ATOM 0 HG3 LYS A 62 -5.991 4.647 23.574 1.00 62.13 H new ATOM 0 HD2 LYS A 62 -5.560 4.330 26.575 1.00 2.03 H new ATOM 0 HD3 LYS A 62 -4.545 5.254 25.486 1.00 2.03 H new ATOM 0 HE2 LYS A 62 -6.377 6.812 25.010 1.00 33.34 H new ATOM 0 HE3 LYS A 62 -7.500 5.837 25.938 1.00 33.34 H new ATOM 0 HZ1 LYS A 62 -6.717 7.724 27.211 1.00 45.31 H new ATOM 0 HZ2 LYS A 62 -6.191 6.280 27.933 1.00 45.31 H new ATOM 0 HZ3 LYS A 62 -5.104 7.224 27.033 1.00 45.31 H new ATOM 1007 N LYS A 63 -7.087 2.864 21.405 1.00 52.54 N ATOM 1008 CA LYS A 63 -7.157 3.322 20.002 1.00 65.02 C ATOM 1009 C LYS A 63 -7.839 2.287 19.080 1.00 50.43 C ATOM 1010 O LYS A 63 -8.026 2.543 17.890 1.00 3.24 O ATOM 1011 CB LYS A 63 -5.745 3.633 19.459 1.00 65.43 C ATOM 1012 CG LYS A 63 -5.328 5.111 19.498 1.00 73.31 C ATOM 1013 CD LYS A 63 -5.125 5.653 20.914 1.00 52.22 C ATOM 1014 CE LYS A 63 -6.399 6.240 21.510 1.00 5.21 C ATOM 1015 NZ LYS A 63 -6.926 7.379 20.709 1.00 22.43 N1+ ATOM 0 H LYS A 63 -6.221 2.380 21.642 1.00 52.54 H new ATOM 0 HA LYS A 63 -7.762 4.228 20.001 1.00 65.02 H new ATOM 0 HB2 LYS A 63 -5.020 3.055 20.031 1.00 65.43 H new ATOM 0 HB3 LYS A 63 -5.687 3.285 18.428 1.00 65.43 H new ATOM 0 HG2 LYS A 63 -4.403 5.234 18.935 1.00 73.31 H new ATOM 0 HG3 LYS A 63 -6.089 5.708 18.995 1.00 73.31 H new ATOM 0 HD2 LYS A 63 -4.765 4.850 21.557 1.00 52.22 H new ATOM 0 HD3 LYS A 63 -4.350 6.420 20.897 1.00 52.22 H new ATOM 0 HE2 LYS A 63 -7.159 5.462 21.574 1.00 5.21 H new ATOM 0 HE3 LYS A 63 -6.200 6.576 22.528 1.00 5.21 H new ATOM 0 HZ1 LYS A 63 -7.211 8.150 21.347 1.00 22.43 H new ATOM 0 HZ2 LYS A 63 -6.186 7.720 20.062 1.00 22.43 H new ATOM 0 HZ3 LYS A 63 -7.750 7.064 20.158 1.00 22.43 H new ATOM 1029 N THR A 64 -8.206 1.129 19.630 1.00 42.31 N ATOM 1030 CA THR A 64 -8.772 0.027 18.827 1.00 31.21 C ATOM 1031 C THR A 64 -10.126 0.370 18.186 1.00 2.14 C ATOM 1032 O THR A 64 -10.845 1.268 18.632 1.00 1.25 O ATOM 1033 CB THR A 64 -8.965 -1.261 19.666 1.00 52.42 C ATOM 1034 OG1 THR A 64 -9.506 -2.312 18.844 1.00 24.55 O ATOM 1035 CG2 THR A 64 -9.903 -1.016 20.845 1.00 72.15 C ATOM 0 H THR A 64 -8.125 0.923 20.626 1.00 42.31 H new ATOM 0 HA THR A 64 -8.038 -0.136 18.038 1.00 31.21 H new ATOM 0 HB THR A 64 -7.988 -1.556 20.050 1.00 52.42 H new ATOM 0 HG1 THR A 64 -10.235 -2.759 19.322 1.00 24.55 H new ATOM 0 HG21 THR A 64 -10.019 -1.938 21.415 1.00 72.15 H new ATOM 0 HG22 THR A 64 -9.485 -0.242 21.488 1.00 72.15 H new ATOM 0 HG23 THR A 64 -10.876 -0.693 20.475 1.00 72.15 H new ATOM 1043 N LYS A 65 -10.465 -0.380 17.139 1.00 42.03 N ATOM 1044 CA LYS A 65 -11.770 -0.279 16.477 1.00 44.05 C ATOM 1045 C LYS A 65 -12.858 -0.965 17.318 1.00 44.54 C ATOM 1046 O LYS A 65 -13.981 -0.471 17.442 1.00 52.01 O ATOM 1047 CB LYS A 65 -11.691 -0.938 15.089 1.00 12.10 C ATOM 1048 CG LYS A 65 -13.020 -0.986 14.333 1.00 21.33 C ATOM 1049 CD LYS A 65 -12.904 -1.800 13.043 1.00 13.32 C ATOM 1050 CE LYS A 65 -14.219 -1.841 12.269 1.00 40.02 C ATOM 1051 NZ LYS A 65 -14.149 -2.756 11.096 1.00 54.13 N1+ ATOM 0 H LYS A 65 -9.845 -1.075 16.724 1.00 42.03 H new ATOM 0 HA LYS A 65 -12.030 0.774 16.369 1.00 44.05 H new ATOM 0 HB2 LYS A 65 -10.963 -0.397 14.485 1.00 12.10 H new ATOM 0 HB3 LYS A 65 -11.316 -1.955 15.204 1.00 12.10 H new ATOM 0 HG2 LYS A 65 -13.787 -1.423 14.972 1.00 21.33 H new ATOM 0 HG3 LYS A 65 -13.342 0.028 14.096 1.00 21.33 H new ATOM 0 HD2 LYS A 65 -12.126 -1.370 12.412 1.00 13.32 H new ATOM 0 HD3 LYS A 65 -12.594 -2.817 13.283 1.00 13.32 H new ATOM 0 HE2 LYS A 65 -15.020 -2.164 12.933 1.00 40.02 H new ATOM 0 HE3 LYS A 65 -14.471 -0.836 11.930 1.00 40.02 H new ATOM 0 HZ1 LYS A 65 -15.063 -2.754 10.599 1.00 54.13 H new ATOM 0 HZ2 LYS A 65 -13.402 -2.434 10.448 1.00 54.13 H new ATOM 0 HZ3 LYS A 65 -13.934 -3.720 11.420 1.00 54.13 H new ATOM 1065 N ASN A 66 -12.505 -2.113 17.890 1.00 61.24 N ATOM 1066 CA ASN A 66 -13.431 -2.909 18.701 1.00 33.34 C ATOM 1067 C ASN A 66 -12.839 -3.171 20.095 1.00 70.13 C ATOM 1068 O ASN A 66 -11.749 -3.738 20.218 1.00 31.51 O ATOM 1069 CB ASN A 66 -13.724 -4.238 17.986 1.00 43.11 C ATOM 1070 CG ASN A 66 -14.788 -5.077 18.675 1.00 41.10 C ATOM 1071 OD1 ASN A 66 -14.964 -5.026 19.887 1.00 73.12 O ATOM 1072 ND2 ASN A 66 -15.493 -5.874 17.903 1.00 2.14 N ATOM 0 H ASN A 66 -11.573 -2.519 17.807 1.00 61.24 H new ATOM 0 HA ASN A 66 -14.361 -2.355 18.826 1.00 33.34 H new ATOM 0 HB2 ASN A 66 -14.043 -4.029 16.965 1.00 43.11 H new ATOM 0 HB3 ASN A 66 -12.803 -4.817 17.920 1.00 43.11 H new ATOM 0 HD21 ASN A 66 -16.211 -6.474 18.309 1.00 2.14 H new ATOM 0 HD22 ASN A 66 -15.322 -5.893 16.898 1.00 2.14 H new ATOM 1079 N GLU A 67 -13.564 -2.763 21.139 1.00 24.21 N ATOM 1080 CA GLU A 67 -13.110 -2.961 22.524 1.00 53.32 C ATOM 1081 C GLU A 67 -12.945 -4.452 22.864 1.00 53.33 C ATOM 1082 O GLU A 67 -11.986 -4.842 23.528 1.00 72.24 O ATOM 1083 CB GLU A 67 -14.090 -2.300 23.507 1.00 15.03 C ATOM 1084 CG GLU A 67 -14.091 -0.776 23.440 1.00 41.15 C ATOM 1085 CD GLU A 67 -15.112 -0.140 24.370 1.00 51.01 C ATOM 1086 OE1 GLU A 67 -15.137 -0.491 25.570 1.00 24.31 O ATOM 1087 OE2 GLU A 67 -15.889 0.727 23.911 1.00 73.44 O1- ATOM 0 H GLU A 67 -14.466 -2.294 21.056 1.00 24.21 H new ATOM 0 HA GLU A 67 -12.132 -2.489 22.619 1.00 53.32 H new ATOM 0 HB2 GLU A 67 -15.097 -2.665 23.303 1.00 15.03 H new ATOM 0 HB3 GLU A 67 -13.838 -2.610 24.521 1.00 15.03 H new ATOM 0 HG2 GLU A 67 -13.097 -0.406 23.693 1.00 41.15 H new ATOM 0 HG3 GLU A 67 -14.296 -0.463 22.416 1.00 41.15 H new ATOM 1094 N GLU A 68 -13.870 -5.284 22.392 1.00 71.43 N ATOM 1095 CA GLU A 68 -13.811 -6.729 22.645 1.00 54.02 C ATOM 1096 C GLU A 68 -12.590 -7.366 21.966 1.00 42.00 C ATOM 1097 O GLU A 68 -11.941 -8.254 22.525 1.00 12.22 O ATOM 1098 CB GLU A 68 -15.095 -7.404 22.158 1.00 75.50 C ATOM 1099 CG GLU A 68 -16.350 -6.911 22.868 1.00 10.34 C ATOM 1100 CD GLU A 68 -17.597 -7.660 22.436 1.00 34.14 C ATOM 1101 OE1 GLU A 68 -17.724 -8.853 22.785 1.00 40.44 O ATOM 1102 OE2 GLU A 68 -18.454 -7.064 21.747 1.00 11.54 O1- ATOM 0 H GLU A 68 -14.670 -4.987 21.833 1.00 71.43 H new ATOM 0 HA GLU A 68 -13.714 -6.877 23.721 1.00 54.02 H new ATOM 0 HB2 GLU A 68 -15.202 -7.232 21.087 1.00 75.50 H new ATOM 0 HB3 GLU A 68 -15.006 -8.481 22.301 1.00 75.50 H new ATOM 0 HG2 GLU A 68 -16.220 -7.020 23.945 1.00 10.34 H new ATOM 0 HG3 GLU A 68 -16.482 -5.848 22.668 1.00 10.34 H new ATOM 1109 N LEU A 69 -12.275 -6.890 20.763 1.00 41.31 N ATOM 1110 CA LEU A 69 -11.085 -7.342 20.036 1.00 30.35 C ATOM 1111 C LEU A 69 -9.822 -7.036 20.860 1.00 12.10 C ATOM 1112 O LEU A 69 -8.872 -7.818 20.880 1.00 33.00 O ATOM 1113 CB LEU A 69 -11.032 -6.660 18.649 1.00 51.54 C ATOM 1114 CG LEU A 69 -9.986 -7.194 17.639 1.00 24.11 C ATOM 1115 CD1 LEU A 69 -8.579 -6.686 17.954 1.00 52.15 C ATOM 1116 CD2 LEU A 69 -10.009 -8.721 17.594 1.00 40.14 C ATOM 0 H LEU A 69 -12.827 -6.190 20.268 1.00 41.31 H new ATOM 0 HA LEU A 69 -11.134 -8.420 19.883 1.00 30.35 H new ATOM 0 HB2 LEU A 69 -12.018 -6.746 18.192 1.00 51.54 H new ATOM 0 HB3 LEU A 69 -10.843 -5.597 18.802 1.00 51.54 H new ATOM 0 HG LEU A 69 -10.259 -6.811 16.656 1.00 24.11 H new ATOM 0 HD11 LEU A 69 -7.876 -7.084 17.222 1.00 52.15 H new ATOM 0 HD12 LEU A 69 -8.568 -5.597 17.913 1.00 52.15 H new ATOM 0 HD13 LEU A 69 -8.288 -7.015 18.952 1.00 52.15 H new ATOM 0 HD21 LEU A 69 -9.267 -9.075 16.878 1.00 40.14 H new ATOM 0 HD22 LEU A 69 -9.778 -9.118 18.583 1.00 40.14 H new ATOM 0 HD23 LEU A 69 -10.999 -9.061 17.289 1.00 40.14 H new ATOM 1128 N ALA A 70 -9.839 -5.898 21.555 1.00 21.31 N ATOM 1129 CA ALA A 70 -8.730 -5.499 22.431 1.00 70.13 C ATOM 1130 C ALA A 70 -8.503 -6.515 23.568 1.00 4.21 C ATOM 1131 O ALA A 70 -7.367 -6.747 23.985 1.00 3.51 O ATOM 1132 CB ALA A 70 -8.989 -4.108 22.999 1.00 22.23 C ATOM 0 H ALA A 70 -10.611 -5.232 21.530 1.00 21.31 H new ATOM 0 HA ALA A 70 -7.821 -5.477 21.831 1.00 70.13 H new ATOM 0 HB1 ALA A 70 -8.162 -3.820 23.648 1.00 22.23 H new ATOM 0 HB2 ALA A 70 -9.076 -3.392 22.182 1.00 22.23 H new ATOM 0 HB3 ALA A 70 -9.915 -4.116 23.574 1.00 22.23 H new ATOM 1138 N LYS A 71 -9.585 -7.116 24.071 1.00 13.25 N ATOM 1139 CA LYS A 71 -9.477 -8.171 25.089 1.00 3.54 C ATOM 1140 C LYS A 71 -8.815 -9.432 24.504 1.00 52.21 C ATOM 1141 O LYS A 71 -7.935 -10.032 25.127 1.00 63.14 O ATOM 1142 CB LYS A 71 -10.859 -8.520 25.680 1.00 32.34 C ATOM 1143 CG LYS A 71 -11.359 -7.544 26.749 1.00 70.53 C ATOM 1144 CD LYS A 71 -11.578 -6.139 26.197 1.00 4.14 C ATOM 1145 CE LYS A 71 -12.083 -5.172 27.263 1.00 31.21 C ATOM 1146 NZ LYS A 71 -13.400 -5.581 27.818 1.00 33.04 N1+ ATOM 0 H LYS A 71 -10.541 -6.894 23.794 1.00 13.25 H new ATOM 0 HA LYS A 71 -8.848 -7.789 25.893 1.00 3.54 H new ATOM 0 HB2 LYS A 71 -11.588 -8.556 24.870 1.00 32.34 H new ATOM 0 HB3 LYS A 71 -10.813 -9.520 26.112 1.00 32.34 H new ATOM 0 HG2 LYS A 71 -12.294 -7.916 27.168 1.00 70.53 H new ATOM 0 HG3 LYS A 71 -10.638 -7.502 27.565 1.00 70.53 H new ATOM 0 HD2 LYS A 71 -10.642 -5.764 25.783 1.00 4.14 H new ATOM 0 HD3 LYS A 71 -12.296 -6.180 25.378 1.00 4.14 H new ATOM 0 HE2 LYS A 71 -11.354 -5.112 28.071 1.00 31.21 H new ATOM 0 HE3 LYS A 71 -12.166 -4.173 26.834 1.00 31.21 H new ATOM 0 HZ1 LYS A 71 -13.781 -4.815 28.409 1.00 33.04 H new ATOM 0 HZ2 LYS A 71 -14.059 -5.777 27.038 1.00 33.04 H new ATOM 0 HZ3 LYS A 71 -13.282 -6.438 28.396 1.00 33.04 H new ATOM 1160 N ARG A 72 -9.235 -9.821 23.299 1.00 51.21 N ATOM 1161 CA ARG A 72 -8.627 -10.958 22.592 1.00 45.10 C ATOM 1162 C ARG A 72 -7.136 -10.701 22.298 1.00 65.22 C ATOM 1163 O ARG A 72 -6.294 -11.588 22.443 1.00 74.21 O ATOM 1164 CB ARG A 72 -9.382 -11.227 21.281 1.00 24.21 C ATOM 1165 CG ARG A 72 -8.748 -12.317 20.422 1.00 12.33 C ATOM 1166 CD ARG A 72 -9.542 -12.580 19.147 1.00 31.42 C ATOM 1167 NE ARG A 72 -8.891 -13.582 18.303 1.00 43.04 N ATOM 1168 CZ ARG A 72 -9.513 -14.366 17.465 1.00 73.21 C ATOM 1169 NH1 ARG A 72 -10.794 -14.281 17.297 1.00 55.13 N1+ ATOM 1170 NH2 ARG A 72 -8.838 -15.231 16.779 1.00 43.30 N ATOM 0 H ARG A 72 -9.993 -9.368 22.789 1.00 51.21 H new ATOM 0 HA ARG A 72 -8.699 -11.834 23.237 1.00 45.10 H new ATOM 0 HB2 ARG A 72 -10.408 -11.511 21.514 1.00 24.21 H new ATOM 0 HB3 ARG A 72 -9.431 -10.304 20.704 1.00 24.21 H new ATOM 0 HG2 ARG A 72 -7.731 -12.026 20.161 1.00 12.33 H new ATOM 0 HG3 ARG A 72 -8.677 -13.238 21.001 1.00 12.33 H new ATOM 0 HD2 ARG A 72 -10.545 -12.918 19.406 1.00 31.42 H new ATOM 0 HD3 ARG A 72 -9.653 -11.650 18.589 1.00 31.42 H new ATOM 0 HE ARG A 72 -7.878 -13.675 18.375 1.00 43.04 H new ATOM 0 HH11 ARG A 72 -11.333 -13.594 17.824 1.00 55.13 H new ATOM 0 HH12 ARG A 72 -11.264 -14.901 16.638 1.00 55.13 H new ATOM 0 HH21 ARG A 72 -7.827 -15.297 16.895 1.00 43.30 H new ATOM 0 HH22 ARG A 72 -9.317 -15.847 16.122 1.00 43.30 H new ATOM 1184 N ALA A 73 -6.826 -9.476 21.885 1.00 70.43 N ATOM 1185 CA ALA A 73 -5.450 -9.061 21.588 1.00 20.53 C ATOM 1186 C ALA A 73 -4.584 -8.976 22.857 1.00 41.24 C ATOM 1187 O ALA A 73 -3.383 -9.232 22.817 1.00 23.42 O ATOM 1188 CB ALA A 73 -5.455 -7.719 20.860 1.00 43.12 C ATOM 0 H ALA A 73 -7.518 -8.740 21.745 1.00 70.43 H new ATOM 0 HA ALA A 73 -5.008 -9.822 20.945 1.00 20.53 H new ATOM 0 HB1 ALA A 73 -4.430 -7.419 20.644 1.00 43.12 H new ATOM 0 HB2 ALA A 73 -6.010 -7.813 19.927 1.00 43.12 H new ATOM 0 HB3 ALA A 73 -5.929 -6.965 21.489 1.00 43.12 H new ATOM 1194 N LYS A 74 -5.215 -8.644 23.981 1.00 75.41 N ATOM 1195 CA LYS A 74 -4.510 -8.336 25.235 1.00 25.13 C ATOM 1196 C LYS A 74 -3.510 -9.435 25.651 1.00 44.02 C ATOM 1197 O LYS A 74 -2.421 -9.134 26.150 1.00 52.53 O ATOM 1198 CB LYS A 74 -5.551 -8.117 26.344 1.00 62.24 C ATOM 1199 CG LYS A 74 -4.968 -7.785 27.714 1.00 53.33 C ATOM 1200 CD LYS A 74 -6.068 -7.546 28.747 1.00 71.05 C ATOM 1201 CE LYS A 74 -5.504 -7.370 30.154 1.00 44.44 C ATOM 1202 NZ LYS A 74 -4.803 -8.593 30.632 1.00 50.12 N1+ ATOM 0 H LYS A 74 -6.230 -8.579 24.054 1.00 75.41 H new ATOM 0 HA LYS A 74 -3.921 -7.433 25.074 1.00 25.13 H new ATOM 0 HB2 LYS A 74 -6.217 -7.308 26.043 1.00 62.24 H new ATOM 0 HB3 LYS A 74 -6.161 -9.016 26.433 1.00 62.24 H new ATOM 0 HG2 LYS A 74 -4.327 -8.602 28.046 1.00 53.33 H new ATOM 0 HG3 LYS A 74 -4.340 -6.898 27.638 1.00 53.33 H new ATOM 0 HD2 LYS A 74 -6.637 -6.658 28.471 1.00 71.05 H new ATOM 0 HD3 LYS A 74 -6.763 -8.386 28.738 1.00 71.05 H new ATOM 0 HE2 LYS A 74 -4.812 -6.528 30.164 1.00 44.44 H new ATOM 0 HE3 LYS A 74 -6.314 -7.125 30.841 1.00 44.44 H new ATOM 0 HZ1 LYS A 74 -4.675 -8.539 31.663 1.00 50.12 H new ATOM 0 HZ2 LYS A 74 -5.370 -9.432 30.397 1.00 50.12 H new ATOM 0 HZ3 LYS A 74 -3.873 -8.663 30.171 1.00 50.12 H new ATOM 1216 N LYS A 75 -3.879 -10.702 25.467 1.00 43.32 N ATOM 1217 CA LYS A 75 -2.964 -11.820 25.754 1.00 45.31 C ATOM 1218 C LYS A 75 -1.742 -11.838 24.807 1.00 55.12 C ATOM 1219 O LYS A 75 -0.628 -12.161 25.221 1.00 54.54 O ATOM 1220 CB LYS A 75 -3.718 -13.168 25.727 1.00 21.50 C ATOM 1221 CG LYS A 75 -4.561 -13.432 24.472 1.00 21.43 C ATOM 1222 CD LYS A 75 -3.739 -13.981 23.305 1.00 32.22 C ATOM 1223 CE LYS A 75 -4.615 -14.331 22.105 1.00 13.32 C ATOM 1224 NZ LYS A 75 -5.586 -15.414 22.420 1.00 32.01 N1+ ATOM 0 H LYS A 75 -4.797 -10.985 25.123 1.00 43.32 H new ATOM 0 HA LYS A 75 -2.575 -11.667 26.761 1.00 45.31 H new ATOM 0 HB2 LYS A 75 -2.990 -13.973 25.830 1.00 21.50 H new ATOM 0 HB3 LYS A 75 -4.371 -13.216 26.598 1.00 21.50 H new ATOM 0 HG2 LYS A 75 -5.354 -14.140 24.716 1.00 21.43 H new ATOM 0 HG3 LYS A 75 -5.045 -12.505 24.164 1.00 21.43 H new ATOM 0 HD2 LYS A 75 -2.994 -13.243 23.007 1.00 32.22 H new ATOM 0 HD3 LYS A 75 -3.196 -14.869 23.629 1.00 32.22 H new ATOM 0 HE2 LYS A 75 -5.156 -13.442 21.780 1.00 13.32 H new ATOM 0 HE3 LYS A 75 -3.983 -14.642 21.273 1.00 13.32 H new ATOM 0 HZ1 LYS A 75 -5.979 -15.796 21.536 1.00 32.01 H new ATOM 0 HZ2 LYS A 75 -5.102 -16.173 22.940 1.00 32.01 H new ATOM 0 HZ3 LYS A 75 -6.356 -15.031 23.004 1.00 32.01 H new ATOM 1238 N LEU A 76 -1.958 -11.465 23.542 1.00 21.24 N ATOM 1239 CA LEU A 76 -0.900 -11.497 22.516 1.00 22.35 C ATOM 1240 C LEU A 76 0.259 -10.536 22.847 1.00 4.15 C ATOM 1241 O LEU A 76 1.422 -10.841 22.598 1.00 13.31 O ATOM 1242 CB LEU A 76 -1.495 -11.155 21.142 1.00 64.34 C ATOM 1243 CG LEU A 76 -0.514 -11.217 19.957 1.00 42.54 C ATOM 1244 CD1 LEU A 76 0.043 -12.629 19.782 1.00 34.11 C ATOM 1245 CD2 LEU A 76 -1.193 -10.740 18.674 1.00 63.05 C ATOM 0 H LEU A 76 -2.860 -11.135 23.198 1.00 21.24 H new ATOM 0 HA LEU A 76 -0.489 -12.506 22.497 1.00 22.35 H new ATOM 0 HB2 LEU A 76 -2.320 -11.839 20.943 1.00 64.34 H new ATOM 0 HB3 LEU A 76 -1.917 -10.151 21.189 1.00 64.34 H new ATOM 0 HG LEU A 76 0.322 -10.551 20.172 1.00 42.54 H new ATOM 0 HD11 LEU A 76 0.733 -12.646 18.939 1.00 34.11 H new ATOM 0 HD12 LEU A 76 0.570 -12.927 20.688 1.00 34.11 H new ATOM 0 HD13 LEU A 76 -0.776 -13.323 19.594 1.00 34.11 H new ATOM 0 HD21 LEU A 76 -0.485 -10.791 17.847 1.00 63.05 H new ATOM 0 HD22 LEU A 76 -2.050 -11.378 18.457 1.00 63.05 H new ATOM 0 HD23 LEU A 76 -1.529 -9.711 18.801 1.00 63.05 H new ATOM 1257 N LEU A 77 -0.069 -9.380 23.419 1.00 1.22 N ATOM 1258 CA LEU A 77 0.946 -8.384 23.801 1.00 41.14 C ATOM 1259 C LEU A 77 2.007 -8.968 24.753 1.00 42.30 C ATOM 1260 O LEU A 77 3.153 -8.516 24.768 1.00 0.34 O ATOM 1261 CB LEU A 77 0.291 -7.148 24.443 1.00 4.13 C ATOM 1262 CG LEU A 77 -0.383 -6.160 23.467 1.00 11.41 C ATOM 1263 CD1 LEU A 77 0.605 -5.685 22.403 1.00 64.22 C ATOM 1264 CD2 LEU A 77 -1.616 -6.776 22.812 1.00 23.11 C ATOM 0 H LEU A 77 -1.028 -9.104 23.631 1.00 1.22 H new ATOM 0 HA LEU A 77 1.451 -8.085 22.882 1.00 41.14 H new ATOM 0 HB2 LEU A 77 -0.457 -7.488 25.160 1.00 4.13 H new ATOM 0 HB3 LEU A 77 1.052 -6.609 25.007 1.00 4.13 H new ATOM 0 HG LEU A 77 -0.707 -5.297 24.048 1.00 11.41 H new ATOM 0 HD11 LEU A 77 0.106 -4.990 21.728 1.00 64.22 H new ATOM 0 HD12 LEU A 77 1.445 -5.184 22.884 1.00 64.22 H new ATOM 0 HD13 LEU A 77 0.970 -6.542 21.837 1.00 64.22 H new ATOM 0 HD21 LEU A 77 -2.066 -6.053 22.131 1.00 23.11 H new ATOM 0 HD22 LEU A 77 -1.325 -7.667 22.255 1.00 23.11 H new ATOM 0 HD23 LEU A 77 -2.339 -7.048 23.581 1.00 23.11 H new ATOM 1276 N ARG A 78 1.616 -9.947 25.570 1.00 23.04 N ATOM 1277 CA ARG A 78 2.544 -10.573 26.526 1.00 73.41 C ATOM 1278 C ARG A 78 3.665 -11.342 25.806 1.00 12.43 C ATOM 1279 O ARG A 78 4.779 -11.453 26.317 1.00 51.20 O ATOM 1280 CB ARG A 78 1.783 -11.510 27.477 1.00 14.13 C ATOM 1281 CG ARG A 78 0.604 -10.858 28.206 1.00 30.32 C ATOM 1282 CD ARG A 78 1.023 -9.657 29.062 1.00 15.03 C ATOM 1283 NE ARG A 78 1.425 -8.500 28.254 1.00 62.31 N ATOM 1284 CZ ARG A 78 1.789 -7.345 28.746 1.00 64.24 C ATOM 1285 NH1 ARG A 78 1.768 -7.128 30.023 1.00 44.35 N1+ ATOM 1286 NH2 ARG A 78 2.161 -6.399 27.947 1.00 23.45 N ATOM 0 H ARG A 78 0.669 -10.325 25.593 1.00 23.04 H new ATOM 0 HA ARG A 78 3.007 -9.775 27.107 1.00 73.41 H new ATOM 0 HB2 ARG A 78 1.414 -12.363 26.907 1.00 14.13 H new ATOM 0 HB3 ARG A 78 2.481 -11.899 28.218 1.00 14.13 H new ATOM 0 HG2 ARG A 78 -0.136 -10.535 27.474 1.00 30.32 H new ATOM 0 HG3 ARG A 78 0.121 -11.600 28.842 1.00 30.32 H new ATOM 0 HD2 ARG A 78 0.195 -9.372 29.711 1.00 15.03 H new ATOM 0 HD3 ARG A 78 1.850 -9.948 29.710 1.00 15.03 H new ATOM 0 HE ARG A 78 1.420 -8.604 27.239 1.00 62.31 H new ATOM 0 HH11 ARG A 78 1.464 -7.864 30.660 1.00 44.35 H new ATOM 0 HH12 ARG A 78 2.055 -6.221 30.391 1.00 44.35 H new ATOM 0 HH21 ARG A 78 2.169 -6.556 26.939 1.00 23.45 H new ATOM 0 HH22 ARG A 78 2.446 -5.495 28.324 1.00 23.45 H new ATOM 1300 N SER A 79 3.365 -11.841 24.606 1.00 30.43 N ATOM 1301 CA SER A 79 4.340 -12.586 23.787 1.00 50.21 C ATOM 1302 C SER A 79 5.606 -11.765 23.484 1.00 63.22 C ATOM 1303 O SER A 79 6.652 -12.322 23.154 1.00 73.13 O ATOM 1304 CB SER A 79 3.694 -13.032 22.467 1.00 40.12 C ATOM 1305 OG SER A 79 2.667 -13.987 22.686 1.00 3.00 O ATOM 0 H SER A 79 2.447 -11.745 24.171 1.00 30.43 H new ATOM 0 HA SER A 79 4.641 -13.456 24.370 1.00 50.21 H new ATOM 0 HB2 SER A 79 3.282 -12.165 21.951 1.00 40.12 H new ATOM 0 HB3 SER A 79 4.456 -13.459 21.814 1.00 40.12 H new ATOM 0 HG SER A 79 2.275 -14.249 21.827 1.00 3.00 H new ATOM 1311 N TRP A 80 5.500 -10.442 23.569 1.00 2.24 N ATOM 1312 CA TRP A 80 6.640 -9.548 23.311 1.00 65.22 C ATOM 1313 C TRP A 80 7.550 -9.418 24.549 1.00 14.45 C ATOM 1314 O TRP A 80 8.766 -9.239 24.433 1.00 62.44 O ATOM 1315 CB TRP A 80 6.126 -8.158 22.896 1.00 12.44 C ATOM 1316 CG TRP A 80 5.238 -8.168 21.677 1.00 1.01 C ATOM 1317 CD1 TRP A 80 4.793 -9.259 20.980 1.00 24.25 C ATOM 1318 CD2 TRP A 80 4.690 -7.024 21.010 1.00 33.12 C ATOM 1319 NE1 TRP A 80 4.006 -8.862 19.928 1.00 41.11 N ATOM 1320 CE2 TRP A 80 3.928 -7.497 19.923 1.00 70.15 C ATOM 1321 CE3 TRP A 80 4.771 -5.646 21.226 1.00 23.33 C ATOM 1322 CZ2 TRP A 80 3.252 -6.642 19.059 1.00 43.32 C ATOM 1323 CZ3 TRP A 80 4.100 -4.798 20.366 1.00 53.21 C ATOM 1324 CH2 TRP A 80 3.348 -5.299 19.294 1.00 51.42 C ATOM 0 H TRP A 80 4.636 -9.958 23.815 1.00 2.24 H new ATOM 0 HA TRP A 80 7.231 -9.981 22.504 1.00 65.22 H new ATOM 0 HB2 TRP A 80 5.575 -7.722 23.730 1.00 12.44 H new ATOM 0 HB3 TRP A 80 6.980 -7.509 22.704 1.00 12.44 H new ATOM 0 HD1 TRP A 80 5.028 -10.285 21.223 1.00 24.25 H new ATOM 0 HE1 TRP A 80 3.553 -9.484 19.259 1.00 41.11 H new ATOM 0 HE3 TRP A 80 5.347 -5.251 22.050 1.00 23.33 H new ATOM 0 HZ2 TRP A 80 2.672 -7.025 18.232 1.00 43.32 H new ATOM 0 HZ3 TRP A 80 4.156 -3.731 20.522 1.00 53.21 H new ATOM 0 HH2 TRP A 80 2.834 -4.610 18.641 1.00 51.42 H new ATOM 1335 N GLN A 81 6.948 -9.536 25.730 1.00 4.35 N ATOM 1336 CA GLN A 81 7.645 -9.305 27.006 1.00 13.41 C ATOM 1337 C GLN A 81 8.564 -10.472 27.408 1.00 41.33 C ATOM 1338 O GLN A 81 9.465 -10.303 28.232 1.00 50.23 O ATOM 1339 CB GLN A 81 6.627 -9.029 28.121 1.00 1.24 C ATOM 1340 CG GLN A 81 5.767 -7.792 27.876 1.00 43.23 C ATOM 1341 CD GLN A 81 6.588 -6.515 27.738 1.00 34.43 C ATOM 1342 OE1 GLN A 81 7.657 -6.378 28.322 1.00 60.14 O ATOM 1343 NE2 GLN A 81 6.096 -5.568 26.966 1.00 63.41 N ATOM 0 H GLN A 81 5.967 -9.793 25.836 1.00 4.35 H new ATOM 0 HA GLN A 81 8.284 -8.434 26.863 1.00 13.41 H new ATOM 0 HB2 GLN A 81 5.977 -9.897 28.230 1.00 1.24 H new ATOM 0 HB3 GLN A 81 7.159 -8.909 29.065 1.00 1.24 H new ATOM 0 HG2 GLN A 81 5.178 -7.939 26.970 1.00 43.23 H new ATOM 0 HG3 GLN A 81 5.062 -7.677 28.699 1.00 43.23 H new ATOM 0 HE21 GLN A 81 5.204 -5.709 26.492 1.00 63.41 H new ATOM 0 HE22 GLN A 81 6.607 -4.694 26.842 1.00 63.41 H new ATOM 1352 N LYS A 82 8.356 -11.641 26.804 1.00 3.23 N ATOM 1353 CA LYS A 82 9.052 -12.880 27.212 1.00 20.15 C ATOM 1354 C LYS A 82 10.590 -12.777 27.153 1.00 25.22 C ATOM 1355 O LYS A 82 11.291 -13.668 27.628 1.00 64.22 O ATOM 1356 CB LYS A 82 8.574 -14.058 26.335 1.00 74.24 C ATOM 1357 CG LYS A 82 8.558 -13.771 24.830 1.00 34.12 C ATOM 1358 CD LYS A 82 9.959 -13.659 24.223 1.00 53.52 C ATOM 1359 CE LYS A 82 9.917 -13.179 22.773 1.00 12.35 C ATOM 1360 NZ LYS A 82 9.139 -14.098 21.912 1.00 10.02 N1+ ATOM 0 H LYS A 82 7.709 -11.765 26.025 1.00 3.23 H new ATOM 0 HA LYS A 82 8.795 -13.048 28.258 1.00 20.15 H new ATOM 0 HB2 LYS A 82 9.220 -14.916 26.520 1.00 74.24 H new ATOM 0 HB3 LYS A 82 7.569 -14.341 26.648 1.00 74.24 H new ATOM 0 HG2 LYS A 82 8.011 -14.565 24.321 1.00 34.12 H new ATOM 0 HG3 LYS A 82 8.015 -12.843 24.649 1.00 34.12 H new ATOM 0 HD2 LYS A 82 10.557 -12.968 24.817 1.00 53.52 H new ATOM 0 HD3 LYS A 82 10.453 -14.629 24.270 1.00 53.52 H new ATOM 0 HE2 LYS A 82 9.477 -12.183 22.733 1.00 12.35 H new ATOM 0 HE3 LYS A 82 10.933 -13.094 22.389 1.00 12.35 H new ATOM 0 HZ1 LYS A 82 9.218 -13.795 20.920 1.00 10.02 H new ATOM 0 HZ2 LYS A 82 9.512 -15.064 22.009 1.00 10.02 H new ATOM 0 HZ3 LYS A 82 8.140 -14.082 22.200 1.00 10.02 H new ATOM 1374 N LEU A 83 11.108 -11.700 26.569 1.00 5.21 N ATOM 1375 CA LEU A 83 12.555 -11.490 26.492 1.00 72.31 C ATOM 1376 C LEU A 83 13.107 -11.051 27.860 1.00 31.12 C ATOM 1377 O LEU A 83 14.178 -11.492 28.286 1.00 52.32 O ATOM 1378 CB LEU A 83 12.860 -10.443 25.401 1.00 42.41 C ATOM 1379 CG LEU A 83 14.346 -10.242 25.025 1.00 35.52 C ATOM 1380 CD1 LEU A 83 14.464 -9.626 23.630 1.00 72.45 C ATOM 1381 CD2 LEU A 83 15.066 -9.360 26.047 1.00 4.11 C ATOM 0 H LEU A 83 10.551 -10.960 26.142 1.00 5.21 H new ATOM 0 HA LEU A 83 13.047 -12.425 26.225 1.00 72.31 H new ATOM 0 HB2 LEU A 83 12.316 -10.724 24.499 1.00 42.41 H new ATOM 0 HB3 LEU A 83 12.460 -9.484 25.729 1.00 42.41 H new ATOM 0 HG LEU A 83 14.823 -11.222 25.026 1.00 35.52 H new ATOM 0 HD11 LEU A 83 15.516 -9.491 23.380 1.00 72.45 H new ATOM 0 HD12 LEU A 83 14.000 -10.288 22.899 1.00 72.45 H new ATOM 0 HD13 LEU A 83 13.960 -8.659 23.615 1.00 72.45 H new ATOM 0 HD21 LEU A 83 16.109 -9.239 25.753 1.00 4.11 H new ATOM 0 HD22 LEU A 83 14.585 -8.383 26.088 1.00 4.11 H new ATOM 0 HD23 LEU A 83 15.019 -9.829 27.030 1.00 4.11 H new ATOM 1393 N ILE A 84 12.359 -10.188 28.549 1.00 62.20 N ATOM 1394 CA ILE A 84 12.770 -9.672 29.862 1.00 32.44 C ATOM 1395 C ILE A 84 11.965 -10.313 31.011 1.00 32.35 C ATOM 1396 O ILE A 84 12.402 -10.327 32.165 1.00 2.12 O ATOM 1397 CB ILE A 84 12.621 -8.129 29.914 1.00 43.23 C ATOM 1398 CG1 ILE A 84 13.233 -7.565 31.208 1.00 1.14 C ATOM 1399 CG2 ILE A 84 11.153 -7.717 29.779 1.00 32.23 C ATOM 1400 CD1 ILE A 84 13.214 -6.051 31.286 1.00 23.24 C ATOM 0 H ILE A 84 11.462 -9.829 28.221 1.00 62.20 H new ATOM 0 HA ILE A 84 13.818 -9.938 29.996 1.00 32.44 H new ATOM 0 HB ILE A 84 13.167 -7.708 29.070 1.00 43.23 H new ATOM 0 HG12 ILE A 84 12.690 -7.970 32.062 1.00 1.14 H new ATOM 0 HG13 ILE A 84 14.263 -7.911 31.292 1.00 1.14 H new ATOM 0 HG21 ILE A 84 11.075 -6.631 29.818 1.00 32.23 H new ATOM 0 HG22 ILE A 84 10.761 -8.075 28.827 1.00 32.23 H new ATOM 0 HG23 ILE A 84 10.576 -8.152 30.595 1.00 32.23 H new ATOM 0 HD11 ILE A 84 13.662 -5.729 32.226 1.00 23.24 H new ATOM 0 HD12 ILE A 84 13.782 -5.637 30.453 1.00 23.24 H new ATOM 0 HD13 ILE A 84 12.184 -5.697 31.235 1.00 23.24 H new ATOM 1412 N GLU A 85 10.787 -10.847 30.691 1.00 64.15 N ATOM 1413 CA GLU A 85 9.898 -11.441 31.702 1.00 54.41 C ATOM 1414 C GLU A 85 9.656 -12.938 31.453 1.00 74.23 C ATOM 1415 O GLU A 85 9.829 -13.428 30.337 1.00 34.32 O ATOM 1416 CB GLU A 85 8.553 -10.698 31.731 1.00 72.23 C ATOM 1417 CG GLU A 85 8.656 -9.247 32.183 1.00 23.14 C ATOM 1418 CD GLU A 85 7.297 -8.635 32.468 1.00 70.45 C ATOM 1419 OE1 GLU A 85 6.702 -8.976 33.508 1.00 22.02 O ATOM 1420 OE2 GLU A 85 6.817 -7.811 31.664 1.00 53.41 O1- ATOM 0 H GLU A 85 10.421 -10.883 29.740 1.00 64.15 H new ATOM 0 HA GLU A 85 10.396 -11.340 32.666 1.00 54.41 H new ATOM 0 HB2 GLU A 85 8.112 -10.727 30.735 1.00 72.23 H new ATOM 0 HB3 GLU A 85 7.871 -11.228 32.397 1.00 72.23 H new ATOM 0 HG2 GLU A 85 9.273 -9.191 33.080 1.00 23.14 H new ATOM 0 HG3 GLU A 85 9.160 -8.664 31.413 1.00 23.14 H new ATOM 1427 N PRO A 86 9.253 -13.692 32.504 1.00 43.52 N ATOM 1428 CA PRO A 86 8.901 -15.121 32.372 1.00 74.32 C ATOM 1429 C PRO A 86 7.581 -15.346 31.609 1.00 13.01 C ATOM 1430 O PRO A 86 7.256 -16.475 31.228 1.00 42.53 O ATOM 1431 CB PRO A 86 8.765 -15.585 33.829 1.00 4.20 C ATOM 1432 CG PRO A 86 8.395 -14.351 34.581 1.00 54.23 C ATOM 1433 CD PRO A 86 9.138 -13.229 33.905 1.00 52.21 C ATOM 0 HA PRO A 86 9.648 -15.669 31.798 1.00 74.32 H new ATOM 0 HB2 PRO A 86 8.001 -16.356 33.930 1.00 4.20 H new ATOM 0 HB3 PRO A 86 9.698 -16.010 34.199 1.00 4.20 H new ATOM 0 HG2 PRO A 86 7.319 -14.182 34.552 1.00 54.23 H new ATOM 0 HG3 PRO A 86 8.677 -14.432 35.631 1.00 54.23 H new ATOM 0 HD2 PRO A 86 8.594 -12.287 33.974 1.00 52.21 H new ATOM 0 HD3 PRO A 86 10.117 -13.065 34.356 1.00 52.21 H new