USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 938 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 73 GLN : amide:sc= -13.2! C(o=-25!,f=-25!) USER MOD Set 1.2: A 118 ASN : amide:sc= -11.5! C(o=-25!,f=-29!) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -6.82! C(o=-16!,f=-12!) USER MOD Set 3.2: A 62 GLN : amide:sc= -5.6! C(o=-12!,f=-19!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= -3.09! USER MOD Set 4.2: A 8 SER OG : rot 138:sc= -4.9! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.112) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.546 K(o=-0.55,f=-5.8!) USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.329 K(o=0.33,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -3.24 K(o=-3.2,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= -0.114 (180deg=-2.27!) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.128) USER MOD Single : A 71 SER OG : rot 114:sc= -0.947 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -36:sc= 0.443 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -6.39! C(o=-8.3!,f=-6.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 97 LYS NZ :NH3+ -108:sc= -0.546 (180deg=-3.71!) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc=-0.00818 (180deg=-0.333) USER MOD Single : A 101 ASN : amide:sc= -6.53! C(o=-6.5!,f=-13!) USER MOD Single : A 104 HIS : no HD1:sc= -0.873 X(o=-0.87,f=-1.2) USER MOD Single : A 105 LYS NZ :NH3+ 149:sc= -0.249 (180deg=-1.51!) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -15! C(o=-15!,f=-19!) USER MOD Single : A 112 SER OG : rot 2:sc= 0.338 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.21 F(o=-1.2,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 9.839 -15.168 -4.692 1.00 0.00 N ATOM 83 CA THR A 7 10.489 -14.680 -3.431 1.00 0.00 C ATOM 84 C THR A 7 11.312 -13.416 -3.764 1.00 0.00 C ATOM 85 O THR A 7 11.916 -13.375 -4.806 1.00 0.00 O ATOM 86 CB THR A 7 11.313 -15.826 -2.782 1.00 0.00 C ATOM 87 OG1 THR A 7 12.425 -15.270 -2.094 1.00 0.00 O ATOM 88 CG2 THR A 7 11.851 -16.806 -3.842 1.00 0.00 C ATOM 0 HA THR A 7 9.750 -14.393 -2.683 1.00 0.00 H new ATOM 0 HB THR A 7 10.654 -16.366 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.947 -15.989 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.422 -17.594 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.016 -17.248 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.496 -16.270 -4.539 1.00 0.00 H new ATOM 96 N SER A 8 11.491 -12.439 -2.869 1.00 0.00 N ATOM 97 CA SER A 8 10.794 -12.382 -1.537 1.00 0.00 C ATOM 98 C SER A 8 11.001 -10.974 -1.027 1.00 0.00 C ATOM 99 O SER A 8 12.096 -10.456 -0.978 1.00 0.00 O ATOM 100 CB SER A 8 11.396 -13.412 -0.570 1.00 0.00 C ATOM 101 OG SER A 8 10.679 -14.636 -0.656 1.00 0.00 O ATOM 0 H SER A 8 12.121 -11.653 -3.029 1.00 0.00 H new ATOM 0 HA SER A 8 9.734 -12.620 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.446 -13.578 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.359 -13.030 0.450 1.00 0.00 H new ATOM 0 HG SER A 8 11.310 -15.386 -0.654 1.00 0.00 H new ATOM 107 N TRP A 9 9.957 -10.446 -0.481 1.00 0.00 N ATOM 108 CA TRP A 9 9.988 -9.176 0.209 1.00 0.00 C ATOM 109 C TRP A 9 8.559 -9.022 0.685 1.00 0.00 C ATOM 110 O TRP A 9 7.643 -9.355 0.002 1.00 0.00 O ATOM 111 CB TRP A 9 10.503 -8.062 -0.743 1.00 0.00 C ATOM 112 CG TRP A 9 9.425 -7.832 -1.780 1.00 0.00 C ATOM 113 CD1 TRP A 9 8.884 -8.820 -2.508 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.736 -6.614 -2.191 1.00 0.00 C ATOM 115 NE1 TRP A 9 7.870 -8.342 -3.291 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.748 -6.970 -3.167 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.853 -5.253 -1.826 1.00 0.00 C ATOM 118 CZ2 TRP A 9 6.914 -6.005 -3.747 1.00 0.00 C ATOM 119 CZ3 TRP A 9 8.016 -4.281 -2.415 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.051 -4.654 -3.373 1.00 0.00 C ATOM 0 H TRP A 9 9.036 -10.884 -0.496 1.00 0.00 H new ATOM 0 HA TRP A 9 10.676 -9.111 1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.707 -7.146 -0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.437 -8.362 -1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.205 -9.851 -2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.281 -8.922 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.587 -4.955 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.171 -6.295 -4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.115 -3.244 -2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.416 -3.903 -3.820 1.00 0.00 H new ATOM 131 N ASP A 10 8.357 -8.521 1.862 1.00 0.00 N ATOM 132 CA ASP A 10 6.967 -8.391 2.363 1.00 0.00 C ATOM 133 C ASP A 10 6.279 -7.210 1.701 1.00 0.00 C ATOM 134 O ASP A 10 6.527 -6.076 2.062 1.00 0.00 O ATOM 135 CB ASP A 10 6.993 -8.281 3.921 1.00 0.00 C ATOM 136 CG ASP A 10 5.623 -7.939 4.563 1.00 0.00 C ATOM 137 OD1 ASP A 10 4.771 -7.369 3.902 1.00 0.00 O ATOM 138 OD2 ASP A 10 5.438 -8.311 5.709 1.00 0.00 O ATOM 0 H ASP A 10 9.087 -8.197 2.497 1.00 0.00 H new ATOM 0 HA ASP A 10 6.385 -9.275 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.348 -9.225 4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.715 -7.516 4.207 1.00 0.00 H new ATOM 143 N PHE A 11 5.375 -7.431 0.806 1.00 0.00 N ATOM 144 CA PHE A 11 4.677 -6.241 0.224 1.00 0.00 C ATOM 145 C PHE A 11 3.171 -6.575 0.207 1.00 0.00 C ATOM 146 O PHE A 11 2.441 -5.946 -0.487 1.00 0.00 O ATOM 147 CB PHE A 11 5.144 -6.013 -1.244 1.00 0.00 C ATOM 148 CG PHE A 11 4.708 -4.667 -1.809 1.00 0.00 C ATOM 149 CD1 PHE A 11 5.375 -3.464 -1.473 1.00 0.00 C ATOM 150 CD2 PHE A 11 3.645 -4.626 -2.736 1.00 0.00 C ATOM 151 CE1 PHE A 11 4.980 -2.248 -2.065 1.00 0.00 C ATOM 152 CE2 PHE A 11 3.249 -3.408 -3.312 1.00 0.00 C ATOM 153 CZ PHE A 11 3.917 -2.221 -2.980 1.00 0.00 C ATOM 0 H PHE A 11 5.087 -8.344 0.454 1.00 0.00 H new ATOM 0 HA PHE A 11 4.894 -5.347 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.231 -6.084 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.747 -6.810 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.188 -3.479 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.132 -5.538 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.497 -1.334 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.428 -3.386 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.613 -1.287 -3.428 1.00 0.00 H new ATOM 163 N GLY A 12 2.662 -7.490 1.001 1.00 0.00 N ATOM 164 CA GLY A 12 1.176 -7.733 0.917 1.00 0.00 C ATOM 165 C GLY A 12 0.374 -6.457 1.206 1.00 0.00 C ATOM 166 O GLY A 12 -0.342 -5.941 0.359 1.00 0.00 O ATOM 0 H GLY A 12 3.178 -8.057 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.924 -8.104 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.894 -8.509 1.628 1.00 0.00 H new ATOM 170 N PRO A 13 0.547 -5.908 2.378 1.00 0.00 N ATOM 171 CA PRO A 13 -0.140 -4.663 2.786 1.00 0.00 C ATOM 172 C PRO A 13 -0.227 -3.666 1.635 1.00 0.00 C ATOM 173 O PRO A 13 -1.301 -3.260 1.234 1.00 0.00 O ATOM 174 CB PRO A 13 0.731 -4.122 3.928 1.00 0.00 C ATOM 175 CG PRO A 13 1.328 -5.337 4.558 1.00 0.00 C ATOM 176 CD PRO A 13 1.429 -6.407 3.461 1.00 0.00 C ATOM 0 HA PRO A 13 -1.172 -4.837 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.503 -3.450 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.137 -3.556 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.312 -5.114 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.708 -5.688 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.456 -6.526 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.101 -7.381 3.824 1.00 0.00 H new ATOM 184 N GLN A 14 0.890 -3.258 1.096 1.00 0.00 N ATOM 185 CA GLN A 14 0.830 -2.308 -0.036 1.00 0.00 C ATOM 186 C GLN A 14 0.162 -2.986 -1.230 1.00 0.00 C ATOM 187 O GLN A 14 -0.308 -2.311 -2.099 1.00 0.00 O ATOM 188 CB GLN A 14 2.241 -1.794 -0.413 1.00 0.00 C ATOM 189 CG GLN A 14 2.862 -0.992 0.752 1.00 0.00 C ATOM 190 CD GLN A 14 4.342 -0.716 0.482 1.00 0.00 C ATOM 191 OE1 GLN A 14 5.188 -1.707 0.505 1.00 0.00 O flip ATOM 192 NE2 GLN A 14 4.724 0.408 0.236 1.00 0.00 N flip ATOM 0 H GLN A 14 1.825 -3.540 1.389 1.00 0.00 H new ATOM 0 HA GLN A 14 0.239 -1.442 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.885 -2.637 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.179 -1.165 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.328 -0.051 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.753 -1.548 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.058 1.181 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.711 0.581 0.046 1.00 0.00 H new ATOM 201 N ALA A 15 0.098 -4.292 -1.299 1.00 0.00 N ATOM 202 CA ALA A 15 -0.554 -4.888 -2.497 1.00 0.00 C ATOM 203 C ALA A 15 -2.033 -5.007 -2.207 1.00 0.00 C ATOM 204 O ALA A 15 -2.861 -4.671 -3.028 1.00 0.00 O ATOM 205 CB ALA A 15 0.051 -6.246 -2.872 1.00 0.00 C ATOM 0 H ALA A 15 0.455 -4.948 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.387 -4.242 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.458 -6.640 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.112 -6.124 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.071 -6.940 -2.041 1.00 0.00 H new ATOM 211 N PHE A 16 -2.392 -5.409 -1.017 1.00 0.00 N ATOM 212 CA PHE A 16 -3.829 -5.521 -0.711 1.00 0.00 C ATOM 213 C PHE A 16 -4.342 -4.097 -0.804 1.00 0.00 C ATOM 214 O PHE A 16 -5.398 -3.830 -1.301 1.00 0.00 O ATOM 215 CB PHE A 16 -4.024 -6.101 0.709 1.00 0.00 C ATOM 216 CG PHE A 16 -3.667 -7.581 0.746 1.00 0.00 C ATOM 217 CD1 PHE A 16 -4.481 -8.514 0.082 1.00 0.00 C ATOM 218 CD2 PHE A 16 -2.523 -8.015 1.447 1.00 0.00 C ATOM 219 CE1 PHE A 16 -4.153 -9.886 0.119 1.00 0.00 C ATOM 220 CE2 PHE A 16 -2.198 -9.388 1.481 1.00 0.00 C ATOM 221 CZ PHE A 16 -3.013 -10.320 0.817 1.00 0.00 C ATOM 0 H PHE A 16 -1.756 -5.659 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.362 -6.188 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.401 -5.555 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.059 -5.965 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.357 -8.182 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.897 -7.298 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.779 -10.604 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.322 -9.722 2.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.763 -11.370 0.843 1.00 0.00 H new ATOM 231 N LYS A 17 -3.552 -3.166 -0.389 1.00 0.00 N ATOM 232 CA LYS A 17 -3.989 -1.757 -0.486 1.00 0.00 C ATOM 233 C LYS A 17 -4.258 -1.388 -1.955 1.00 0.00 C ATOM 234 O LYS A 17 -5.191 -0.668 -2.230 1.00 0.00 O ATOM 235 CB LYS A 17 -2.925 -0.857 0.164 1.00 0.00 C ATOM 236 CG LYS A 17 -2.998 -0.877 1.715 1.00 0.00 C ATOM 237 CD LYS A 17 -1.875 -0.063 2.411 1.00 0.00 C ATOM 238 CE LYS A 17 -2.019 -0.160 3.955 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.921 0.590 4.628 1.00 0.00 N ATOM 0 H LYS A 17 -2.626 -3.314 0.012 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.926 -1.610 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.935 -1.182 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.053 0.166 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.965 -0.483 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.949 -1.911 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.899 -0.441 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.925 0.980 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.984 0.242 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.996 -1.205 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.031 0.516 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.004 0.188 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.961 1.590 4.347 1.00 0.00 H new ATOM 253 N LEU A 18 -3.509 -1.879 -2.926 1.00 0.00 N ATOM 254 CA LEU A 18 -3.843 -1.496 -4.329 1.00 0.00 C ATOM 255 C LEU A 18 -5.264 -1.989 -4.566 1.00 0.00 C ATOM 256 O LEU A 18 -6.074 -1.292 -5.121 1.00 0.00 O ATOM 257 CB LEU A 18 -2.878 -2.161 -5.354 1.00 0.00 C ATOM 258 CG LEU A 18 -3.191 -1.755 -6.810 1.00 0.00 C ATOM 259 CD1 LEU A 18 -2.697 -0.330 -7.099 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.568 -2.750 -7.801 1.00 0.00 C ATOM 0 H LEU A 18 -2.712 -2.504 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.747 -0.419 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.852 -1.883 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.944 -3.245 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.273 -1.775 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.929 -0.067 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.192 0.370 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.619 -0.280 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.802 -2.443 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.486 -2.768 -7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.973 -3.746 -7.620 1.00 0.00 H new ATOM 272 N LEU A 19 -5.573 -3.171 -4.120 1.00 0.00 N ATOM 273 CA LEU A 19 -6.940 -3.688 -4.324 1.00 0.00 C ATOM 274 C LEU A 19 -8.020 -2.630 -3.935 1.00 0.00 C ATOM 275 O LEU A 19 -8.902 -2.351 -4.751 1.00 0.00 O ATOM 276 CB LEU A 19 -7.090 -5.037 -3.585 1.00 0.00 C ATOM 277 CG LEU A 19 -5.927 -6.018 -3.854 1.00 0.00 C ATOM 278 CD1 LEU A 19 -6.081 -7.366 -3.089 1.00 0.00 C ATOM 279 CD2 LEU A 19 -5.897 -6.324 -5.359 1.00 0.00 C ATOM 0 H LEU A 19 -4.937 -3.796 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.108 -3.878 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.157 -4.850 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.027 -5.505 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.009 -5.544 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.234 -8.013 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.112 -7.174 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.005 -7.855 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.083 -7.016 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.844 -6.774 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.743 -5.399 -5.915 1.00 0.00 H new ATOM 291 N SER A 20 -8.063 -2.042 -2.732 1.00 0.00 N ATOM 292 CA SER A 20 -9.210 -1.059 -2.544 1.00 0.00 C ATOM 293 C SER A 20 -8.990 0.219 -3.404 1.00 0.00 C ATOM 294 O SER A 20 -9.920 0.993 -3.638 1.00 0.00 O ATOM 295 CB SER A 20 -9.436 -0.691 -1.066 1.00 0.00 C ATOM 296 OG SER A 20 -10.571 0.159 -0.960 1.00 0.00 O ATOM 0 H SER A 20 -7.424 -2.181 -1.949 1.00 0.00 H new ATOM 0 HA SER A 20 -10.115 -1.560 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.587 -1.594 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.554 -0.191 -0.665 1.00 0.00 H new ATOM 0 HG SER A 20 -10.718 0.393 -0.020 1.00 0.00 H new ATOM 302 N ALA A 21 -7.797 0.483 -3.878 1.00 0.00 N ATOM 303 CA ALA A 21 -7.611 1.739 -4.680 1.00 0.00 C ATOM 304 C ALA A 21 -8.333 1.646 -6.037 1.00 0.00 C ATOM 305 O ALA A 21 -9.086 2.530 -6.389 1.00 0.00 O ATOM 306 CB ALA A 21 -6.125 2.045 -4.902 1.00 0.00 C ATOM 0 H ALA A 21 -6.966 -0.094 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.051 2.554 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.025 2.960 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.632 2.174 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.660 1.219 -5.440 1.00 0.00 H new ATOM 312 N VAL A 22 -8.133 0.598 -6.804 1.00 0.00 N ATOM 313 CA VAL A 22 -8.839 0.509 -8.129 1.00 0.00 C ATOM 314 C VAL A 22 -10.339 0.509 -7.845 1.00 0.00 C ATOM 315 O VAL A 22 -11.109 1.184 -8.489 1.00 0.00 O ATOM 316 CB VAL A 22 -8.373 -0.789 -8.872 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.169 -0.551 -9.791 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.027 -1.921 -7.870 1.00 0.00 C ATOM 0 H VAL A 22 -7.523 -0.188 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.603 1.352 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.218 -1.091 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.892 -1.486 -10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.430 0.189 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.328 -0.186 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.707 -2.807 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.223 -1.591 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.908 -2.161 -7.274 1.00 0.00 H new ATOM 328 N ASP A 23 -10.722 -0.225 -6.865 1.00 0.00 N ATOM 329 CA ASP A 23 -12.152 -0.294 -6.478 1.00 0.00 C ATOM 330 C ASP A 23 -12.612 1.093 -6.026 1.00 0.00 C ATOM 331 O ASP A 23 -13.678 1.543 -6.395 1.00 0.00 O ATOM 332 CB ASP A 23 -12.329 -1.295 -5.334 1.00 0.00 C ATOM 333 CG ASP A 23 -13.797 -1.332 -4.908 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.645 -1.468 -5.774 1.00 0.00 O ATOM 335 OD2 ASP A 23 -14.048 -1.221 -3.718 1.00 0.00 O ATOM 0 H ASP A 23 -10.098 -0.797 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.749 -0.620 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.007 -2.287 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.702 -1.012 -4.489 1.00 0.00 H new ATOM 340 N ILE A 24 -11.821 1.803 -5.247 1.00 0.00 N ATOM 341 CA ILE A 24 -12.285 3.166 -4.831 1.00 0.00 C ATOM 342 C ILE A 24 -12.583 3.964 -6.115 1.00 0.00 C ATOM 343 O ILE A 24 -13.504 4.749 -6.182 1.00 0.00 O ATOM 344 CB ILE A 24 -11.215 3.857 -3.929 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.390 3.401 -2.469 1.00 0.00 C ATOM 346 CG2 ILE A 24 -11.324 5.394 -3.977 1.00 0.00 C ATOM 347 CD1 ILE A 24 -12.497 4.217 -1.788 1.00 0.00 C ATOM 0 H ILE A 24 -10.910 1.510 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.191 3.108 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.236 3.567 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.639 2.340 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.452 3.523 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.561 5.833 -3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.178 5.737 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.311 5.700 -3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.611 3.885 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.231 5.274 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.436 4.072 -2.322 1.00 0.00 H new ATOM 359 N LEU A 25 -11.813 3.717 -7.144 1.00 0.00 N ATOM 360 CA LEU A 25 -12.020 4.402 -8.453 1.00 0.00 C ATOM 361 C LEU A 25 -13.129 3.654 -9.182 1.00 0.00 C ATOM 362 O LEU A 25 -13.529 4.008 -10.272 1.00 0.00 O ATOM 363 CB LEU A 25 -10.706 4.357 -9.254 1.00 0.00 C ATOM 364 CG LEU A 25 -9.600 5.136 -8.505 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.277 5.055 -9.273 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.007 6.612 -8.363 1.00 0.00 C ATOM 0 H LEU A 25 -11.036 3.057 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.302 5.447 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.396 3.322 -9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.859 4.788 -10.243 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.472 4.691 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.508 5.608 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.975 4.012 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.405 5.487 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.224 7.156 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.147 7.048 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.939 6.680 -7.801 1.00 0.00 H new ATOM 378 N GLY A 26 -13.617 2.601 -8.565 1.00 0.00 N ATOM 379 CA GLY A 26 -14.704 1.783 -9.175 1.00 0.00 C ATOM 380 C GLY A 26 -14.149 0.961 -10.341 1.00 0.00 C ATOM 381 O GLY A 26 -14.892 0.482 -11.163 1.00 0.00 O ATOM 0 H GLY A 26 -13.300 2.274 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.136 1.120 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.506 2.433 -9.526 1.00 0.00 H new ATOM 385 N GLU A 27 -12.843 0.804 -10.381 1.00 0.00 N ATOM 386 CA GLU A 27 -12.146 0.014 -11.463 1.00 0.00 C ATOM 387 C GLU A 27 -12.381 0.594 -12.883 1.00 0.00 C ATOM 388 O GLU A 27 -12.264 -0.128 -13.852 1.00 0.00 O ATOM 389 CB GLU A 27 -12.603 -1.459 -11.488 1.00 0.00 C ATOM 390 CG GLU A 27 -12.221 -2.227 -10.201 1.00 0.00 C ATOM 391 CD GLU A 27 -12.684 -3.688 -10.308 1.00 0.00 C ATOM 392 OE1 GLU A 27 -13.049 -4.104 -11.398 1.00 0.00 O ATOM 393 OE2 GLU A 27 -12.657 -4.366 -9.297 1.00 0.00 O ATOM 0 H GLU A 27 -12.209 1.202 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.087 0.082 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.684 -1.497 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.158 -1.958 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.142 -2.188 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.681 -1.753 -9.334 1.00 0.00 H new ATOM 400 N LYS A 28 -12.680 1.867 -13.057 1.00 0.00 N ATOM 401 CA LYS A 28 -12.875 2.371 -14.473 1.00 0.00 C ATOM 402 C LYS A 28 -11.653 3.209 -14.860 1.00 0.00 C ATOM 403 O LYS A 28 -11.719 4.200 -15.555 1.00 0.00 O ATOM 404 CB LYS A 28 -14.214 3.162 -14.606 1.00 0.00 C ATOM 405 CG LYS A 28 -15.465 2.344 -14.194 1.00 0.00 C ATOM 406 CD LYS A 28 -15.783 1.201 -15.214 1.00 0.00 C ATOM 407 CE LYS A 28 -17.072 0.470 -14.817 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.248 1.345 -15.097 1.00 0.00 N ATOM 0 H LYS A 28 -12.795 2.558 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.955 1.533 -15.166 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.158 4.059 -13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.330 3.491 -15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.306 1.913 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.324 3.010 -14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.888 1.618 -16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.953 0.495 -15.248 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.159 -0.463 -15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.043 0.209 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.123 0.790 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.265 2.132 -14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.177 1.724 -16.063 1.00 0.00 H new ATOM 422 N PHE A 29 -10.502 2.795 -14.456 1.00 0.00 N ATOM 423 CA PHE A 29 -9.295 3.585 -14.822 1.00 0.00 C ATOM 424 C PHE A 29 -8.102 2.651 -14.992 1.00 0.00 C ATOM 425 O PHE A 29 -8.080 1.530 -14.504 1.00 0.00 O ATOM 426 CB PHE A 29 -8.985 4.605 -13.736 1.00 0.00 C ATOM 427 CG PHE A 29 -10.086 5.626 -13.704 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.264 5.362 -13.001 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.924 6.835 -14.378 1.00 0.00 C ATOM 430 CE1 PHE A 29 -12.292 6.314 -12.979 1.00 0.00 C ATOM 431 CE2 PHE A 29 -10.954 7.794 -14.359 1.00 0.00 C ATOM 432 CZ PHE A 29 -12.142 7.529 -13.661 1.00 0.00 C ATOM 0 H PHE A 29 -10.335 1.959 -13.897 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.488 4.108 -15.759 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.899 4.112 -12.768 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.028 5.088 -13.933 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.382 4.426 -12.475 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.009 7.036 -14.915 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.203 6.111 -12.435 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.830 8.732 -14.880 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.938 8.259 -13.649 1.00 0.00 H new ATOM 442 N GLY A 30 -7.120 3.145 -15.704 1.00 0.00 N ATOM 443 CA GLY A 30 -5.873 2.384 -15.990 1.00 0.00 C ATOM 444 C GLY A 30 -4.864 2.601 -14.848 1.00 0.00 C ATOM 445 O GLY A 30 -5.158 3.227 -13.848 1.00 0.00 O ATOM 0 H GLY A 30 -7.137 4.080 -16.112 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.098 1.323 -16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.443 2.712 -16.936 1.00 0.00 H new ATOM 449 N ILE A 31 -3.680 2.060 -14.996 1.00 0.00 N ATOM 450 CA ILE A 31 -2.615 2.195 -13.929 1.00 0.00 C ATOM 451 C ILE A 31 -2.127 3.654 -13.754 1.00 0.00 C ATOM 452 O ILE A 31 -1.617 4.044 -12.697 1.00 0.00 O ATOM 453 CB ILE A 31 -1.426 1.311 -14.328 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.435 1.252 -13.157 1.00 0.00 C ATOM 455 CG2 ILE A 31 -0.736 1.907 -15.557 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.632 0.186 -13.428 1.00 0.00 C ATOM 0 H ILE A 31 -3.394 1.524 -15.815 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.047 1.886 -12.977 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.775 0.306 -14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.037 2.225 -13.020 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.965 1.022 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.109 1.279 -15.840 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.445 1.957 -16.384 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.380 2.910 -15.324 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.331 0.150 -12.593 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.154 -0.787 -13.543 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.171 0.435 -14.342 1.00 0.00 H new ATOM 468 N GLY A 32 -2.228 4.432 -14.796 1.00 0.00 N ATOM 469 CA GLY A 32 -1.732 5.851 -14.779 1.00 0.00 C ATOM 470 C GLY A 32 -2.365 6.716 -13.675 1.00 0.00 C ATOM 471 O GLY A 32 -1.681 7.461 -13.001 1.00 0.00 O ATOM 0 H GLY A 32 -2.642 4.143 -15.682 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.650 5.846 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.934 6.309 -15.747 1.00 0.00 H new ATOM 475 N LEU A 33 -3.666 6.677 -13.524 1.00 0.00 N ATOM 476 CA LEU A 33 -4.327 7.547 -12.499 1.00 0.00 C ATOM 477 C LEU A 33 -3.998 7.064 -11.063 1.00 0.00 C ATOM 478 O LEU A 33 -3.635 7.870 -10.234 1.00 0.00 O ATOM 479 CB LEU A 33 -5.858 7.597 -12.745 1.00 0.00 C ATOM 480 CG LEU A 33 -6.457 8.964 -12.320 1.00 0.00 C ATOM 481 CD1 LEU A 33 -6.288 9.994 -13.453 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.950 8.773 -12.030 1.00 0.00 C ATOM 0 H LEU A 33 -4.297 6.084 -14.063 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.935 8.559 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.064 7.421 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.344 6.796 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.940 9.329 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.712 10.949 -13.143 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.228 10.122 -13.673 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.804 9.641 -14.346 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.387 9.725 -11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.452 8.411 -12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.075 8.047 -11.227 1.00 0.00 H new ATOM 494 N PRO A 34 -4.112 5.793 -10.742 1.00 0.00 N ATOM 495 CA PRO A 34 -3.795 5.277 -9.366 1.00 0.00 C ATOM 496 C PRO A 34 -2.295 5.306 -9.016 1.00 0.00 C ATOM 497 O PRO A 34 -1.937 5.526 -7.878 1.00 0.00 O ATOM 498 CB PRO A 34 -4.299 3.840 -9.438 1.00 0.00 C ATOM 499 CG PRO A 34 -4.164 3.483 -10.883 1.00 0.00 C ATOM 500 CD PRO A 34 -4.551 4.743 -11.679 1.00 0.00 C ATOM 0 HA PRO A 34 -4.252 5.890 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.708 3.177 -8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.333 3.762 -9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.144 3.176 -11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.814 2.647 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.038 4.802 -12.639 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.620 4.791 -11.886 1.00 0.00 H new ATOM 508 N ILE A 35 -1.398 5.122 -9.946 1.00 0.00 N ATOM 509 CA ILE A 35 0.061 5.186 -9.546 1.00 0.00 C ATOM 510 C ILE A 35 0.369 6.624 -9.082 1.00 0.00 C ATOM 511 O ILE A 35 0.979 6.833 -8.054 1.00 0.00 O ATOM 512 CB ILE A 35 0.909 4.781 -10.744 1.00 0.00 C ATOM 513 CG1 ILE A 35 2.385 4.650 -10.344 1.00 0.00 C ATOM 514 CG2 ILE A 35 0.749 5.785 -11.887 1.00 0.00 C ATOM 515 CD1 ILE A 35 3.185 3.954 -11.461 1.00 0.00 C ATOM 0 H ILE A 35 -1.587 4.936 -10.931 1.00 0.00 H new ATOM 0 HA ILE A 35 0.287 4.504 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 35 0.560 3.809 -11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.804 5.637 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.468 4.080 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.364 5.475 -12.732 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.296 5.824 -12.194 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.065 6.772 -11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.230 3.869 -11.162 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.776 2.959 -11.636 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.117 4.541 -12.377 1.00 0.00 H new ATOM 527 N LEU A 36 -0.098 7.613 -9.811 1.00 0.00 N ATOM 528 CA LEU A 36 0.108 9.033 -9.381 1.00 0.00 C ATOM 529 C LEU A 36 -0.489 9.277 -7.976 1.00 0.00 C ATOM 530 O LEU A 36 0.146 9.879 -7.120 1.00 0.00 O ATOM 531 CB LEU A 36 -0.545 9.996 -10.386 1.00 0.00 C ATOM 532 CG LEU A 36 0.197 9.954 -11.728 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.624 10.693 -12.797 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.570 10.626 -11.589 1.00 0.00 C ATOM 0 H LEU A 36 -0.612 7.497 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 36 1.182 9.218 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.590 9.724 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.532 11.011 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 36 0.333 8.914 -12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.094 10.661 -13.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.596 10.212 -12.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.765 11.731 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.090 10.592 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.438 11.664 -11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.158 10.100 -10.837 1.00 0.00 H new ATOM 546 N PHE A 37 -1.708 8.830 -7.731 1.00 0.00 N ATOM 547 CA PHE A 37 -2.322 9.006 -6.368 1.00 0.00 C ATOM 548 C PHE A 37 -1.664 8.015 -5.419 1.00 0.00 C ATOM 549 O PHE A 37 -1.748 8.721 -4.421 1.00 0.00 O ATOM 550 CB PHE A 37 -3.835 8.617 -6.372 1.00 0.00 C ATOM 551 CG PHE A 37 -4.637 9.108 -5.183 1.00 0.00 C ATOM 552 CD1 PHE A 37 -5.303 10.338 -5.228 1.00 0.00 C ATOM 553 CD2 PHE A 37 -4.817 8.261 -4.063 1.00 0.00 C ATOM 554 CE1 PHE A 37 -6.149 10.733 -4.178 1.00 0.00 C ATOM 555 CE2 PHE A 37 -5.640 8.658 -3.000 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.316 9.893 -3.058 1.00 0.00 C ATOM 0 H PHE A 37 -2.299 8.354 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.191 10.048 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.290 9.008 -7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.913 7.531 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.165 10.990 -6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.318 7.304 -4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.670 11.678 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.756 8.018 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.961 10.196 -2.246 1.00 0.00 H new ATOM 566 N LEU A 38 -1.135 6.853 -5.379 1.00 0.00 N ATOM 567 CA LEU A 38 -0.620 6.324 -4.166 1.00 0.00 C ATOM 568 C LEU A 38 0.492 7.245 -3.645 1.00 0.00 C ATOM 569 O LEU A 38 0.549 7.477 -2.469 1.00 0.00 O ATOM 570 CB LEU A 38 -0.188 4.905 -4.550 1.00 0.00 C ATOM 571 CG LEU A 38 -1.474 4.063 -4.916 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.095 2.733 -5.624 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.305 3.743 -3.648 1.00 0.00 C ATOM 0 H LEU A 38 -1.044 6.236 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.321 6.273 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.497 4.935 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.347 4.437 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.071 4.670 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.001 2.177 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.551 2.952 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.466 2.136 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.185 3.163 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.697 3.168 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.619 4.673 -3.174 1.00 0.00 H new ATOM 585 N ARG A 39 1.350 7.790 -4.473 1.00 0.00 N ATOM 586 CA ARG A 39 2.454 8.670 -3.959 1.00 0.00 C ATOM 587 C ARG A 39 1.966 9.973 -3.254 1.00 0.00 C ATOM 588 O ARG A 39 2.753 10.680 -2.667 1.00 0.00 O ATOM 589 CB ARG A 39 3.352 9.056 -5.146 1.00 0.00 C ATOM 590 CG ARG A 39 3.956 7.801 -5.799 1.00 0.00 C ATOM 591 CD ARG A 39 5.125 8.179 -6.717 1.00 0.00 C ATOM 592 NE ARG A 39 6.288 8.585 -5.879 1.00 0.00 N ATOM 593 CZ ARG A 39 7.489 8.576 -6.381 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.673 8.190 -7.615 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.506 8.944 -5.653 1.00 0.00 N ATOM 0 H ARG A 39 1.336 7.665 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 39 2.986 8.096 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.772 9.612 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.150 9.715 -4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.301 7.113 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.190 7.279 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.394 7.334 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.835 8.995 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 39 6.143 8.870 -4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.877 7.897 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.613 8.182 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.362 9.240 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.446 8.936 -6.049 1.00 0.00 H new ATOM 609 N GLY A 40 0.687 10.259 -3.241 1.00 0.00 N ATOM 610 CA GLY A 40 0.180 11.479 -2.536 1.00 0.00 C ATOM 611 C GLY A 40 0.583 12.706 -3.311 1.00 0.00 C ATOM 612 O GLY A 40 0.954 13.715 -2.754 1.00 0.00 O ATOM 0 H GLY A 40 -0.034 9.695 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.905 11.434 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.586 11.524 -1.525 1.00 0.00 H new ATOM 616 N SER A 41 0.518 12.622 -4.612 1.00 0.00 N ATOM 617 CA SER A 41 0.912 13.807 -5.463 1.00 0.00 C ATOM 618 C SER A 41 -0.004 15.052 -5.259 1.00 0.00 C ATOM 619 O SER A 41 -1.127 14.970 -4.751 1.00 0.00 O ATOM 620 CB SER A 41 1.128 13.432 -6.913 1.00 0.00 C ATOM 621 OG SER A 41 -0.128 13.380 -7.573 1.00 0.00 O ATOM 0 H SER A 41 0.213 11.797 -5.129 1.00 0.00 H new ATOM 0 HA SER A 41 1.887 14.130 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.777 14.162 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.628 12.466 -6.981 1.00 0.00 H new ATOM 0 HG SER A 41 0.006 13.139 -8.513 1.00 0.00 H new ATOM 627 N ASN A 42 0.481 16.207 -5.645 1.00 0.00 N ATOM 628 CA ASN A 42 -0.319 17.476 -5.521 1.00 0.00 C ATOM 629 C ASN A 42 -1.510 17.284 -6.465 1.00 0.00 C ATOM 630 O ASN A 42 -1.386 17.281 -7.672 1.00 0.00 O ATOM 631 CB ASN A 42 0.456 18.733 -5.925 1.00 0.00 C ATOM 632 CG ASN A 42 -0.410 19.968 -5.647 1.00 0.00 C ATOM 633 OD1 ASN A 42 -1.594 19.848 -5.406 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.137 21.152 -5.652 1.00 0.00 N ATOM 0 H ASN A 42 1.410 16.330 -6.047 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.600 17.635 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.390 18.795 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.720 18.689 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.430 21.976 -5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.132 21.253 -5.854 1.00 0.00 H new ATOM 641 N SER A 43 -2.672 17.127 -5.875 1.00 0.00 N ATOM 642 CA SER A 43 -3.938 16.935 -6.648 1.00 0.00 C ATOM 643 C SER A 43 -5.157 17.210 -5.764 1.00 0.00 C ATOM 644 O SER A 43 -5.580 16.382 -4.995 1.00 0.00 O ATOM 645 CB SER A 43 -4.004 15.499 -7.163 1.00 0.00 C ATOM 646 OG SER A 43 -5.159 15.350 -7.975 1.00 0.00 O ATOM 0 H SER A 43 -2.797 17.124 -4.863 1.00 0.00 H new ATOM 0 HA SER A 43 -3.946 17.634 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.108 15.264 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.039 14.801 -6.327 1.00 0.00 H new ATOM 0 HG SER A 43 -4.991 14.672 -8.662 1.00 0.00 H new ATOM 652 N GLN A 44 -5.709 18.392 -5.852 1.00 0.00 N ATOM 653 CA GLN A 44 -6.897 18.726 -5.013 1.00 0.00 C ATOM 654 C GLN A 44 -8.192 18.132 -5.601 1.00 0.00 C ATOM 655 O GLN A 44 -9.135 17.871 -4.881 1.00 0.00 O ATOM 656 CB GLN A 44 -7.036 20.248 -4.931 1.00 0.00 C ATOM 657 CG GLN A 44 -8.087 20.607 -3.878 1.00 0.00 C ATOM 658 CD GLN A 44 -7.564 20.248 -2.486 1.00 0.00 C ATOM 659 OE1 GLN A 44 -6.541 20.747 -2.065 1.00 0.00 O ATOM 660 NE2 GLN A 44 -8.225 19.394 -1.754 1.00 0.00 N ATOM 0 H GLN A 44 -5.389 19.139 -6.468 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.747 18.297 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.078 20.698 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.326 20.651 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.317 21.671 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.015 20.071 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.085 18.976 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.882 19.145 -0.826 1.00 0.00 H new ATOM 669 N ARG A 45 -8.268 17.954 -6.895 1.00 0.00 N ATOM 670 CA ARG A 45 -9.530 17.412 -7.507 1.00 0.00 C ATOM 671 C ARG A 45 -9.855 16.007 -6.976 1.00 0.00 C ATOM 672 O ARG A 45 -11.003 15.683 -6.703 1.00 0.00 O ATOM 673 CB ARG A 45 -9.351 17.347 -9.032 1.00 0.00 C ATOM 674 CG ARG A 45 -10.655 16.867 -9.701 1.00 0.00 C ATOM 675 CD ARG A 45 -10.464 16.755 -11.222 1.00 0.00 C ATOM 676 NE ARG A 45 -11.775 16.437 -11.866 1.00 0.00 N ATOM 677 CZ ARG A 45 -12.190 15.202 -11.931 1.00 0.00 C ATOM 678 NH1 ARG A 45 -11.466 14.234 -11.443 1.00 0.00 N ATOM 679 NH2 ARG A 45 -13.342 14.936 -12.492 1.00 0.00 N ATOM 0 H ARG A 45 -7.518 18.158 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.355 18.073 -7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.077 18.330 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.535 16.669 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.947 15.900 -9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.463 17.564 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.068 17.690 -11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.736 15.977 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.346 17.187 -12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.567 14.439 -11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.798 13.271 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.909 15.692 -12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.672 13.973 -12.546 1.00 0.00 H new ATOM 693 N LEU A 46 -8.870 15.165 -6.837 1.00 0.00 N ATOM 694 CA LEU A 46 -9.139 13.781 -6.341 1.00 0.00 C ATOM 695 C LEU A 46 -9.043 13.778 -4.813 1.00 0.00 C ATOM 696 O LEU A 46 -9.363 12.805 -4.152 1.00 0.00 O ATOM 697 CB LEU A 46 -8.090 12.828 -6.939 1.00 0.00 C ATOM 698 CG LEU A 46 -8.079 12.905 -8.478 1.00 0.00 C ATOM 699 CD1 LEU A 46 -6.863 12.145 -9.012 1.00 0.00 C ATOM 700 CD2 LEU A 46 -9.351 12.278 -9.061 1.00 0.00 C ATOM 0 H LEU A 46 -7.893 15.371 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.135 13.453 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.103 13.081 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.303 11.806 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.033 13.953 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.851 12.197 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.951 12.594 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.919 11.102 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.323 12.343 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.411 11.232 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.224 12.813 -8.688 1.00 0.00 H new ATOM 712 N ALA A 47 -8.625 14.869 -4.235 1.00 0.00 N ATOM 713 CA ALA A 47 -8.537 14.899 -2.760 1.00 0.00 C ATOM 714 C ALA A 47 -9.878 15.352 -2.193 1.00 0.00 C ATOM 715 O ALA A 47 -10.170 15.089 -1.067 1.00 0.00 O ATOM 716 CB ALA A 47 -7.416 15.845 -2.306 1.00 0.00 C ATOM 0 H ALA A 47 -8.346 15.725 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.303 13.901 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.366 15.854 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.464 15.501 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.621 16.852 -2.668 1.00 0.00 H new ATOM 722 N ASP A 48 -10.708 16.024 -2.960 1.00 0.00 N ATOM 723 CA ASP A 48 -12.032 16.466 -2.413 1.00 0.00 C ATOM 724 C ASP A 48 -13.089 15.407 -2.745 1.00 0.00 C ATOM 725 O ASP A 48 -13.920 15.056 -1.932 1.00 0.00 O ATOM 726 CB ASP A 48 -12.443 17.806 -3.023 1.00 0.00 C ATOM 727 CG ASP A 48 -11.322 18.828 -2.819 1.00 0.00 C ATOM 728 OD1 ASP A 48 -10.525 18.630 -1.916 1.00 0.00 O ATOM 729 OD2 ASP A 48 -11.280 19.788 -3.569 1.00 0.00 O ATOM 0 H ASP A 48 -10.528 16.283 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.949 16.586 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.649 17.685 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.362 18.162 -2.558 1.00 0.00 H new ATOM 734 N GLN A 49 -13.029 14.880 -3.937 1.00 0.00 N ATOM 735 CA GLN A 49 -14.016 13.828 -4.341 1.00 0.00 C ATOM 736 C GLN A 49 -13.623 12.481 -3.705 1.00 0.00 C ATOM 737 O GLN A 49 -14.350 11.927 -2.906 1.00 0.00 O ATOM 738 CB GLN A 49 -14.015 13.686 -5.865 1.00 0.00 C ATOM 739 CG GLN A 49 -14.569 14.964 -6.492 1.00 0.00 C ATOM 740 CD GLN A 49 -14.533 14.847 -8.016 1.00 0.00 C ATOM 741 OE1 GLN A 49 -15.443 14.312 -8.617 1.00 0.00 O ATOM 742 NE2 GLN A 49 -13.514 15.331 -8.671 1.00 0.00 N ATOM 0 H GLN A 49 -12.343 15.129 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.011 14.116 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.003 13.501 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.620 12.830 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.592 15.133 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.981 15.823 -6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.750 15.780 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.481 15.260 -9.688 1.00 0.00 H new ATOM 751 N TYR A 50 -12.478 11.957 -4.060 1.00 0.00 N ATOM 752 CA TYR A 50 -12.023 10.641 -3.496 1.00 0.00 C ATOM 753 C TYR A 50 -11.349 10.867 -2.134 1.00 0.00 C ATOM 754 O TYR A 50 -10.373 10.238 -1.790 1.00 0.00 O ATOM 755 CB TYR A 50 -11.048 9.997 -4.476 1.00 0.00 C ATOM 756 CG TYR A 50 -11.805 9.649 -5.734 1.00 0.00 C ATOM 757 CD1 TYR A 50 -12.626 8.507 -5.766 1.00 0.00 C ATOM 758 CD2 TYR A 50 -11.708 10.473 -6.872 1.00 0.00 C ATOM 759 CE1 TYR A 50 -13.348 8.187 -6.930 1.00 0.00 C ATOM 760 CE2 TYR A 50 -12.433 10.157 -8.035 1.00 0.00 C ATOM 761 CZ TYR A 50 -13.252 9.013 -8.064 1.00 0.00 C ATOM 762 OH TYR A 50 -13.962 8.700 -9.207 1.00 0.00 O ATOM 0 H TYR A 50 -11.830 12.385 -4.722 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.877 9.979 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.229 10.680 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.605 9.102 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.702 7.874 -4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.076 11.349 -6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.975 7.308 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.361 10.792 -8.906 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.785 9.373 -9.897 1.00 0.00 H new ATOM 772 N ARG A 51 -11.874 11.797 -1.397 1.00 0.00 N ATOM 773 CA ARG A 51 -11.341 12.180 -0.053 1.00 0.00 C ATOM 774 C ARG A 51 -11.325 10.999 0.927 1.00 0.00 C ATOM 775 O ARG A 51 -10.438 10.914 1.755 1.00 0.00 O ATOM 776 CB ARG A 51 -12.231 13.316 0.536 1.00 0.00 C ATOM 777 CG ARG A 51 -13.665 12.821 0.777 1.00 0.00 C ATOM 778 CD ARG A 51 -14.526 13.977 1.302 1.00 0.00 C ATOM 779 NE ARG A 51 -15.898 13.481 1.600 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.816 14.310 2.019 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.532 15.572 2.166 1.00 0.00 N ATOM 782 NH2 ARG A 51 -18.014 13.868 2.291 1.00 0.00 N ATOM 0 H ARG A 51 -12.691 12.337 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.312 12.513 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.802 13.670 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.245 14.164 -0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.087 12.432 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.662 12.001 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.077 14.399 2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.570 14.777 0.562 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.121 12.493 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.594 15.912 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.248 16.221 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.231 12.878 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.733 14.513 2.618 1.00 0.00 H new ATOM 796 N ARG A 52 -12.290 10.121 0.919 1.00 0.00 N ATOM 797 CA ARG A 52 -12.212 9.019 1.911 1.00 0.00 C ATOM 798 C ARG A 52 -10.960 8.199 1.662 1.00 0.00 C ATOM 799 O ARG A 52 -10.380 7.634 2.569 1.00 0.00 O ATOM 800 CB ARG A 52 -13.449 8.124 1.773 1.00 0.00 C ATOM 801 CG ARG A 52 -14.723 8.908 2.140 1.00 0.00 C ATOM 802 CD ARG A 52 -14.892 8.963 3.664 1.00 0.00 C ATOM 803 NE ARG A 52 -16.218 9.556 3.994 1.00 0.00 N ATOM 804 CZ ARG A 52 -16.474 9.933 5.215 1.00 0.00 C ATOM 805 NH1 ARG A 52 -15.576 9.779 6.147 1.00 0.00 N ATOM 806 NH2 ARG A 52 -17.635 10.459 5.507 1.00 0.00 N ATOM 0 H ARG A 52 -13.097 10.117 0.295 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.175 9.436 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.525 7.753 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.350 7.254 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.665 9.919 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.594 8.433 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.814 7.961 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.094 9.559 4.108 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.924 9.667 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.672 9.363 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.777 10.074 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.340 10.574 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.835 10.754 6.463 1.00 0.00 H new ATOM 820 N HIS A 53 -10.553 8.116 0.430 1.00 0.00 N ATOM 821 CA HIS A 53 -9.352 7.315 0.067 1.00 0.00 C ATOM 822 C HIS A 53 -8.200 7.502 1.058 1.00 0.00 C ATOM 823 O HIS A 53 -7.354 8.355 0.883 1.00 0.00 O ATOM 824 CB HIS A 53 -8.926 7.776 -1.294 1.00 0.00 C ATOM 825 CG HIS A 53 -8.134 6.680 -1.957 1.00 0.00 C ATOM 826 ND1 HIS A 53 -8.257 6.404 -3.314 1.00 0.00 N ATOM 827 CD2 HIS A 53 -7.227 5.774 -1.472 1.00 0.00 C ATOM 828 CE1 HIS A 53 -7.441 5.371 -3.591 1.00 0.00 C ATOM 829 NE2 HIS A 53 -6.795 4.952 -2.504 1.00 0.00 N ATOM 0 H HIS A 53 -11.010 8.578 -0.357 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.604 6.255 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.799 8.027 -1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.323 8.680 -1.214 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -8.856 6.895 -3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.899 5.710 -0.445 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.324 4.936 -4.572 1.00 0.00 H new ATOM 838 N SER A 54 -8.141 6.700 2.088 1.00 0.00 N ATOM 839 CA SER A 54 -7.036 6.838 3.082 1.00 0.00 C ATOM 840 C SER A 54 -5.665 6.518 2.442 1.00 0.00 C ATOM 841 O SER A 54 -4.675 7.158 2.729 1.00 0.00 O ATOM 842 CB SER A 54 -7.280 5.872 4.242 1.00 0.00 C ATOM 843 OG SER A 54 -6.250 6.029 5.210 1.00 0.00 O ATOM 0 H SER A 54 -8.810 5.955 2.284 1.00 0.00 H new ATOM 0 HA SER A 54 -7.021 7.868 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.252 6.067 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.298 4.845 3.877 1.00 0.00 H new ATOM 0 HG SER A 54 -6.405 5.412 5.955 1.00 0.00 H new ATOM 849 N LEU A 55 -5.592 5.511 1.606 1.00 0.00 N ATOM 850 CA LEU A 55 -4.277 5.117 0.987 1.00 0.00 C ATOM 851 C LEU A 55 -3.570 6.351 0.376 1.00 0.00 C ATOM 852 O LEU A 55 -2.473 6.261 -0.207 1.00 0.00 O ATOM 853 CB LEU A 55 -4.506 4.136 -0.212 1.00 0.00 C ATOM 854 CG LEU A 55 -5.474 2.947 0.076 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.579 2.032 -1.156 1.00 0.00 C ATOM 856 CD2 LEU A 55 -4.968 2.132 1.268 1.00 0.00 C ATOM 0 H LEU A 55 -6.388 4.940 1.321 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.683 4.660 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.896 4.705 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.541 3.732 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.458 3.354 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.258 1.207 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.960 2.603 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.593 1.636 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.652 1.305 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.976 1.739 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.915 2.771 2.150 1.00 0.00 H new ATOM 868 N PHE A 56 -4.162 7.508 0.414 1.00 0.00 N ATOM 869 CA PHE A 56 -3.446 8.601 -0.230 1.00 0.00 C ATOM 870 C PHE A 56 -2.048 8.742 0.383 1.00 0.00 C ATOM 871 O PHE A 56 -1.915 8.883 1.573 1.00 0.00 O ATOM 872 CB PHE A 56 -4.325 9.805 -0.005 1.00 0.00 C ATOM 873 CG PHE A 56 -3.585 11.121 -0.271 1.00 0.00 C ATOM 874 CD1 PHE A 56 -2.773 11.731 0.721 1.00 0.00 C ATOM 875 CD2 PHE A 56 -3.661 11.720 -1.555 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.071 12.906 0.419 1.00 0.00 C ATOM 877 CE2 PHE A 56 -2.943 12.885 -1.838 1.00 0.00 C ATOM 878 CZ PHE A 56 -2.157 13.475 -0.854 1.00 0.00 C ATOM 0 H PHE A 56 -5.062 7.725 0.842 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.271 8.450 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.197 9.743 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.692 9.798 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.696 11.291 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.279 11.272 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.459 13.375 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.999 13.328 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.609 14.379 -1.075 1.00 0.00 H new ATOM 888 N GLY A 57 -1.053 8.791 -0.442 1.00 0.00 N ATOM 889 CA GLY A 57 0.396 8.982 -0.051 1.00 0.00 C ATOM 890 C GLY A 57 1.128 7.837 0.677 1.00 0.00 C ATOM 891 O GLY A 57 2.091 8.126 1.396 1.00 0.00 O ATOM 0 H GLY A 57 -1.180 8.701 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.956 9.206 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.452 9.866 0.584 1.00 0.00 H new ATOM 895 N THR A 58 0.787 6.574 0.580 1.00 0.00 N ATOM 896 CA THR A 58 1.644 5.660 1.412 1.00 0.00 C ATOM 897 C THR A 58 2.766 5.175 0.448 1.00 0.00 C ATOM 898 O THR A 58 3.786 4.725 0.840 1.00 0.00 O ATOM 899 CB THR A 58 0.704 4.505 1.819 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.505 5.062 2.306 1.00 0.00 O ATOM 901 CG2 THR A 58 1.331 3.643 2.929 1.00 0.00 C ATOM 0 H THR A 58 0.036 6.163 0.025 1.00 0.00 H new ATOM 0 HA THR A 58 2.092 6.102 2.302 1.00 0.00 H new ATOM 0 HB THR A 58 0.526 3.874 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.115 4.341 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.646 2.838 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.270 3.218 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.522 4.262 3.806 1.00 0.00 H new ATOM 909 N GLY A 59 2.592 5.390 -0.825 1.00 0.00 N ATOM 910 CA GLY A 59 3.579 5.018 -1.903 1.00 0.00 C ATOM 911 C GLY A 59 4.480 6.169 -2.132 1.00 0.00 C ATOM 912 O GLY A 59 5.252 6.237 -3.070 1.00 0.00 O ATOM 0 H GLY A 59 1.752 5.838 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.153 4.141 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.055 4.758 -2.823 1.00 0.00 H new ATOM 916 N LYS A 60 4.324 7.072 -1.266 1.00 0.00 N ATOM 917 CA LYS A 60 5.078 8.336 -1.275 1.00 0.00 C ATOM 918 C LYS A 60 6.617 8.106 -1.121 1.00 0.00 C ATOM 919 O LYS A 60 7.393 8.717 -1.829 1.00 0.00 O ATOM 920 CB LYS A 60 4.519 9.141 -0.064 1.00 0.00 C ATOM 921 CG LYS A 60 5.124 10.619 0.029 1.00 0.00 C ATOM 922 CD LYS A 60 4.446 11.387 1.183 1.00 0.00 C ATOM 923 CE LYS A 60 4.904 10.843 2.552 1.00 0.00 C ATOM 924 NZ LYS A 60 3.992 9.744 2.975 1.00 0.00 N ATOM 0 H LYS A 60 3.663 6.995 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 60 4.957 8.861 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.434 9.202 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.741 8.603 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.200 10.572 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.968 11.146 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.687 12.448 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.363 11.299 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.928 10.476 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.898 11.642 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.489 10.024 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.302 9.555 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.547 8.884 3.160 1.00 0.00 H new ATOM 938 N ASP A 61 7.057 7.241 -0.244 1.00 0.00 N ATOM 939 CA ASP A 61 8.545 6.976 -0.069 1.00 0.00 C ATOM 940 C ASP A 61 9.056 6.111 -1.237 1.00 0.00 C ATOM 941 O ASP A 61 10.224 5.781 -1.316 1.00 0.00 O ATOM 942 CB ASP A 61 8.822 6.268 1.258 1.00 0.00 C ATOM 943 CG ASP A 61 7.938 5.019 1.359 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.938 4.964 0.664 1.00 0.00 O ATOM 945 OD2 ASP A 61 8.280 4.135 2.131 1.00 0.00 O ATOM 0 H ASP A 61 6.454 6.694 0.371 1.00 0.00 H new ATOM 0 HA ASP A 61 9.068 7.932 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.874 5.990 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.619 6.940 2.092 1.00 0.00 H new ATOM 950 N GLN A 62 8.166 5.661 -2.071 1.00 0.00 N ATOM 951 CA GLN A 62 8.543 4.740 -3.194 1.00 0.00 C ATOM 952 C GLN A 62 8.563 5.439 -4.521 1.00 0.00 C ATOM 953 O GLN A 62 7.699 6.207 -4.875 1.00 0.00 O ATOM 954 CB GLN A 62 7.430 3.715 -3.307 1.00 0.00 C ATOM 955 CG GLN A 62 7.398 2.848 -1.992 1.00 0.00 C ATOM 956 CD GLN A 62 6.233 1.847 -2.031 1.00 0.00 C ATOM 957 OE1 GLN A 62 6.306 0.789 -1.439 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.159 2.141 -2.710 1.00 0.00 N ATOM 0 H GLN A 62 7.173 5.892 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 62 9.530 4.329 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.472 4.214 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.592 3.077 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.341 2.312 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.296 3.499 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.097 3.029 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.381 1.483 -2.744 1.00 0.00 H new ATOM 967 N THR A 63 9.551 5.126 -5.282 1.00 0.00 N ATOM 968 CA THR A 63 9.647 5.734 -6.605 1.00 0.00 C ATOM 969 C THR A 63 8.604 5.122 -7.536 1.00 0.00 C ATOM 970 O THR A 63 7.988 4.129 -7.241 1.00 0.00 O ATOM 971 CB THR A 63 11.078 5.589 -7.162 1.00 0.00 C ATOM 972 OG1 THR A 63 11.377 4.206 -7.306 1.00 0.00 O ATOM 973 CG2 THR A 63 12.095 6.228 -6.207 1.00 0.00 C ATOM 0 H THR A 63 10.297 4.473 -5.041 1.00 0.00 H new ATOM 0 HA THR A 63 9.438 6.801 -6.530 1.00 0.00 H new ATOM 0 HB THR A 63 11.138 6.094 -8.126 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.284 4.103 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.099 6.116 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.867 7.287 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.042 5.735 -5.236 1.00 0.00 H new ATOM 981 N GLU A 64 8.471 5.740 -8.673 1.00 0.00 N ATOM 982 CA GLU A 64 7.540 5.313 -9.763 1.00 0.00 C ATOM 983 C GLU A 64 7.850 3.908 -10.349 1.00 0.00 C ATOM 984 O GLU A 64 6.945 3.159 -10.612 1.00 0.00 O ATOM 985 CB GLU A 64 7.666 6.347 -10.897 1.00 0.00 C ATOM 986 CG GLU A 64 6.546 6.156 -11.926 1.00 0.00 C ATOM 987 CD GLU A 64 5.212 6.583 -11.310 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.231 7.117 -10.212 1.00 0.00 O ATOM 989 OE2 GLU A 64 4.195 6.370 -11.945 1.00 0.00 O ATOM 0 H GLU A 64 9.004 6.578 -8.907 1.00 0.00 H new ATOM 0 HA GLU A 64 6.539 5.255 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.621 7.355 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.636 6.245 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.753 6.746 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.498 5.113 -12.238 1.00 0.00 H new ATOM 996 N SER A 65 9.082 3.556 -10.624 1.00 0.00 N ATOM 997 CA SER A 65 9.360 2.237 -11.203 1.00 0.00 C ATOM 998 C SER A 65 9.079 1.131 -10.199 1.00 0.00 C ATOM 999 O SER A 65 8.647 0.085 -10.560 1.00 0.00 O ATOM 1000 CB SER A 65 10.832 2.225 -11.621 1.00 0.00 C ATOM 1001 OG SER A 65 11.642 2.466 -10.481 1.00 0.00 O ATOM 0 H SER A 65 9.902 4.141 -10.465 1.00 0.00 H new ATOM 0 HA SER A 65 8.714 2.057 -12.063 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.088 1.264 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.014 2.987 -12.379 1.00 0.00 H new ATOM 0 HG SER A 65 12.586 2.458 -10.743 1.00 0.00 H new ATOM 1007 N TRP A 66 9.254 1.333 -8.940 1.00 0.00 N ATOM 1008 CA TRP A 66 8.952 0.224 -7.990 1.00 0.00 C ATOM 1009 C TRP A 66 7.474 -0.044 -8.140 1.00 0.00 C ATOM 1010 O TRP A 66 7.014 -1.125 -8.242 1.00 0.00 O ATOM 1011 CB TRP A 66 9.313 0.583 -6.549 1.00 0.00 C ATOM 1012 CG TRP A 66 9.351 -0.647 -5.738 1.00 0.00 C ATOM 1013 CD1 TRP A 66 8.294 -1.197 -5.140 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.496 -1.456 -5.386 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.697 -2.361 -4.508 1.00 0.00 N ATOM 1016 CE2 TRP A 66 10.057 -2.533 -4.594 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.868 -1.359 -5.690 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.951 -3.484 -4.102 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.767 -2.309 -5.193 1.00 0.00 C ATOM 1020 CH2 TRP A 66 12.313 -3.370 -4.394 1.00 0.00 C ATOM 0 H TRP A 66 9.588 2.200 -8.520 1.00 0.00 H new ATOM 0 HA TRP A 66 9.548 -0.660 -8.218 1.00 0.00 H new ATOM 0 HB2 TRP A 66 10.281 1.083 -6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.581 1.280 -6.141 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.290 -0.800 -5.147 1.00 0.00 H new ATOM 0 HE1 TRP A 66 8.064 -3.009 -4.038 1.00 0.00 H new ATOM 0 HE3 TRP A 66 12.227 -0.549 -6.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.592 -4.305 -3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.818 -2.225 -5.426 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.013 -4.095 -4.007 1.00 0.00 H new ATOM 1031 N TRP A 67 6.721 0.985 -8.134 1.00 0.00 N ATOM 1032 CA TRP A 67 5.277 0.802 -8.223 1.00 0.00 C ATOM 1033 C TRP A 67 5.074 0.136 -9.611 1.00 0.00 C ATOM 1034 O TRP A 67 4.365 -0.858 -9.746 1.00 0.00 O ATOM 1035 CB TRP A 67 4.571 2.167 -8.097 1.00 0.00 C ATOM 1036 CG TRP A 67 4.206 2.529 -6.638 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.712 3.546 -5.849 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.229 1.855 -5.780 1.00 0.00 C ATOM 1039 NE1 TRP A 67 4.077 3.555 -4.636 1.00 0.00 N ATOM 1040 CE2 TRP A 67 3.165 2.527 -4.522 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.380 0.737 -5.976 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.299 2.107 -3.506 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.511 0.306 -4.953 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.472 0.989 -3.720 1.00 0.00 C ATOM 0 H TRP A 67 7.042 1.951 -8.071 1.00 0.00 H new ATOM 0 HA TRP A 67 4.853 0.187 -7.429 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.218 2.943 -8.507 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.663 2.157 -8.701 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.492 4.231 -6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.257 4.241 -3.903 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.399 0.210 -6.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.266 2.637 -2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.873 -0.550 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.806 0.653 -2.939 1.00 0.00 H new ATOM 1055 N LYS A 68 5.792 0.601 -10.616 1.00 0.00 N ATOM 1056 CA LYS A 68 5.690 -0.034 -11.991 1.00 0.00 C ATOM 1057 C LYS A 68 6.078 -1.494 -11.849 1.00 0.00 C ATOM 1058 O LYS A 68 5.429 -2.396 -12.336 1.00 0.00 O ATOM 1059 CB LYS A 68 6.658 0.662 -13.029 1.00 0.00 C ATOM 1060 CG LYS A 68 6.298 0.388 -14.550 1.00 0.00 C ATOM 1061 CD LYS A 68 5.055 1.218 -14.997 1.00 0.00 C ATOM 1062 CE LYS A 68 4.746 0.970 -16.484 1.00 0.00 C ATOM 1063 NZ LYS A 68 5.794 1.609 -17.328 1.00 0.00 N ATOM 0 H LYS A 68 6.440 1.386 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 68 4.672 0.079 -12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.645 1.738 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.676 0.321 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.152 0.640 -15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.099 -0.674 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.192 0.946 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.240 2.279 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.708 -0.101 -16.684 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.766 1.376 -16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.483 1.618 -18.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.952 2.585 -17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.680 1.070 -17.248 1.00 0.00 H new ATOM 1077 N ALA A 69 7.175 -1.693 -11.207 1.00 0.00 N ATOM 1078 CA ALA A 69 7.708 -3.030 -11.001 1.00 0.00 C ATOM 1079 C ALA A 69 6.710 -3.879 -10.208 1.00 0.00 C ATOM 1080 O ALA A 69 6.501 -5.023 -10.518 1.00 0.00 O ATOM 1081 CB ALA A 69 9.046 -2.923 -10.276 1.00 0.00 C ATOM 0 H ALA A 69 7.741 -0.947 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 69 7.867 -3.521 -11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.454 -3.921 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.741 -2.339 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.900 -2.433 -9.313 1.00 0.00 H new ATOM 1087 N PHE A 70 6.085 -3.328 -9.200 1.00 0.00 N ATOM 1088 CA PHE A 70 5.075 -4.128 -8.407 1.00 0.00 C ATOM 1089 C PHE A 70 3.923 -4.562 -9.314 1.00 0.00 C ATOM 1090 O PHE A 70 3.449 -5.677 -9.246 1.00 0.00 O ATOM 1091 CB PHE A 70 4.489 -3.270 -7.307 1.00 0.00 C ATOM 1092 CG PHE A 70 3.235 -3.848 -6.692 1.00 0.00 C ATOM 1093 CD1 PHE A 70 3.216 -5.200 -6.303 1.00 0.00 C ATOM 1094 CD2 PHE A 70 2.070 -3.065 -6.582 1.00 0.00 C ATOM 1095 CE1 PHE A 70 2.034 -5.771 -5.800 1.00 0.00 C ATOM 1096 CE2 PHE A 70 0.888 -3.633 -6.070 1.00 0.00 C ATOM 1097 CZ PHE A 70 0.870 -4.987 -5.685 1.00 0.00 C ATOM 0 H PHE A 70 6.221 -2.367 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 70 5.582 -4.998 -7.989 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.237 -3.134 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.264 -2.282 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.110 -5.799 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.083 -2.030 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.019 -6.809 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.003 -3.031 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.039 -5.426 -5.300 1.00 0.00 H new ATOM 1107 N SER A 71 3.466 -3.673 -10.169 1.00 0.00 N ATOM 1108 CA SER A 71 2.355 -4.051 -11.085 1.00 0.00 C ATOM 1109 C SER A 71 2.684 -5.385 -11.765 1.00 0.00 C ATOM 1110 O SER A 71 1.841 -6.249 -11.912 1.00 0.00 O ATOM 1111 CB SER A 71 2.183 -2.968 -12.149 1.00 0.00 C ATOM 1112 OG SER A 71 1.930 -1.720 -11.517 1.00 0.00 O ATOM 0 H SER A 71 3.812 -2.719 -10.267 1.00 0.00 H new ATOM 0 HA SER A 71 1.432 -4.152 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.081 -2.901 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.359 -3.225 -12.815 1.00 0.00 H new ATOM 0 HG SER A 71 2.680 -1.112 -11.682 1.00 0.00 H new ATOM 1118 N ARG A 72 3.911 -5.542 -12.179 1.00 0.00 N ATOM 1119 CA ARG A 72 4.332 -6.810 -12.847 1.00 0.00 C ATOM 1120 C ARG A 72 4.150 -8.003 -11.892 1.00 0.00 C ATOM 1121 O ARG A 72 3.667 -9.049 -12.275 1.00 0.00 O ATOM 1122 CB ARG A 72 5.810 -6.651 -13.262 1.00 0.00 C ATOM 1123 CG ARG A 72 6.314 -7.879 -14.031 1.00 0.00 C ATOM 1124 CD ARG A 72 7.744 -7.625 -14.520 1.00 0.00 C ATOM 1125 NE ARG A 72 7.731 -6.551 -15.553 1.00 0.00 N ATOM 1126 CZ ARG A 72 8.735 -6.430 -16.382 1.00 0.00 C ATOM 1127 NH1 ARG A 72 9.749 -7.251 -16.300 1.00 0.00 N ATOM 1128 NH2 ARG A 72 8.722 -5.494 -17.289 1.00 0.00 N ATOM 0 H ARG A 72 4.647 -4.842 -12.083 1.00 0.00 H new ATOM 0 HA ARG A 72 3.718 -7.005 -13.726 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.921 -5.761 -13.882 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.424 -6.499 -12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.289 -8.759 -13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.660 -8.084 -14.878 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.379 -7.333 -13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.166 -8.540 -14.936 1.00 0.00 H new ATOM 0 HE ARG A 72 6.939 -5.911 -15.613 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.756 -7.984 -15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.533 -7.159 -16.945 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.929 -4.856 -17.352 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.505 -5.400 -17.936 1.00 0.00 H new ATOM 1142 N GLN A 73 4.541 -7.856 -10.659 1.00 0.00 N ATOM 1143 CA GLN A 73 4.391 -8.970 -9.676 1.00 0.00 C ATOM 1144 C GLN A 73 2.928 -9.465 -9.610 1.00 0.00 C ATOM 1145 O GLN A 73 2.666 -10.654 -9.508 1.00 0.00 O ATOM 1146 CB GLN A 73 4.788 -8.467 -8.272 1.00 0.00 C ATOM 1147 CG GLN A 73 6.269 -8.087 -8.201 1.00 0.00 C ATOM 1148 CD GLN A 73 6.619 -7.689 -6.732 1.00 0.00 C ATOM 1149 OE1 GLN A 73 6.159 -8.318 -5.805 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.395 -6.642 -6.485 1.00 0.00 N ATOM 0 H GLN A 73 4.962 -7.006 -10.284 1.00 0.00 H new ATOM 0 HA GLN A 73 5.033 -9.790 -9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.178 -7.602 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.576 -9.242 -7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.889 -8.924 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.478 -7.257 -8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.788 -6.105 -7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.599 -6.374 -5.522 1.00 0.00 H new ATOM 1159 N LEU A 74 1.980 -8.556 -9.628 1.00 0.00 N ATOM 1160 CA LEU A 74 0.528 -8.944 -9.531 1.00 0.00 C ATOM 1161 C LEU A 74 0.063 -9.815 -10.711 1.00 0.00 C ATOM 1162 O LEU A 74 -0.699 -10.745 -10.536 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.325 -7.667 -9.496 1.00 0.00 C ATOM 1164 CG LEU A 74 -0.247 -7.018 -8.084 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.657 -5.524 -8.152 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -1.159 -7.764 -7.067 1.00 0.00 C ATOM 0 H LEU A 74 2.148 -7.553 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 74 0.408 -9.532 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.027 -6.963 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.360 -7.904 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 74 0.785 -7.095 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.597 -5.085 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.016 -4.992 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.679 -5.444 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.082 -7.286 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.193 -7.725 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.842 -8.804 -6.988 1.00 0.00 H new ATOM 1178 N ILE A 75 0.465 -9.493 -11.906 1.00 0.00 N ATOM 1179 CA ILE A 75 0.007 -10.288 -13.090 1.00 0.00 C ATOM 1180 C ILE A 75 0.475 -11.750 -13.019 1.00 0.00 C ATOM 1181 O ILE A 75 -0.271 -12.663 -13.322 1.00 0.00 O ATOM 1182 CB ILE A 75 0.561 -9.648 -14.362 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.095 -8.278 -14.564 1.00 0.00 C ATOM 1184 CG2 ILE A 75 0.258 -10.544 -15.563 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.611 -7.527 -15.695 1.00 0.00 C ATOM 0 H ILE A 75 1.090 -8.716 -12.120 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.083 -10.286 -13.095 1.00 0.00 H new ATOM 0 HB ILE A 75 1.640 -9.527 -14.269 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.152 -8.402 -14.801 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.041 -7.699 -13.642 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.654 -10.085 -16.469 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.724 -11.519 -15.417 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.820 -10.668 -15.661 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.141 -6.554 -15.835 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.662 -7.389 -15.440 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.534 -8.103 -16.617 1.00 0.00 H new ATOM 1197 N THR A 76 1.710 -11.981 -12.674 1.00 0.00 N ATOM 1198 CA THR A 76 2.233 -13.386 -12.623 1.00 0.00 C ATOM 1199 C THR A 76 1.535 -14.207 -11.529 1.00 0.00 C ATOM 1200 O THR A 76 1.193 -15.352 -11.743 1.00 0.00 O ATOM 1201 CB THR A 76 3.741 -13.355 -12.350 1.00 0.00 C ATOM 1202 OG1 THR A 76 4.352 -12.413 -13.221 1.00 0.00 O ATOM 1203 CG2 THR A 76 4.343 -14.741 -12.592 1.00 0.00 C ATOM 0 H THR A 76 2.386 -11.260 -12.423 1.00 0.00 H new ATOM 0 HA THR A 76 2.030 -13.860 -13.584 1.00 0.00 H new ATOM 0 HB THR A 76 3.916 -13.068 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.317 -12.387 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.415 -14.711 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.872 -15.464 -11.926 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.171 -15.037 -13.627 1.00 0.00 H new ATOM 1211 N GLU A 77 1.345 -13.661 -10.360 1.00 0.00 N ATOM 1212 CA GLU A 77 0.693 -14.460 -9.274 1.00 0.00 C ATOM 1213 C GLU A 77 -0.750 -14.840 -9.651 1.00 0.00 C ATOM 1214 O GLU A 77 -1.282 -15.810 -9.152 1.00 0.00 O ATOM 1215 CB GLU A 77 0.678 -13.630 -7.983 1.00 0.00 C ATOM 1216 CG GLU A 77 2.115 -13.377 -7.519 1.00 0.00 C ATOM 1217 CD GLU A 77 2.090 -12.548 -6.236 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.007 -12.184 -5.809 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.154 -12.293 -5.696 1.00 0.00 O ATOM 0 H GLU A 77 1.608 -12.708 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 77 1.262 -15.379 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.168 -12.682 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.122 -14.156 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.625 -14.324 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.673 -12.852 -8.294 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.400 -14.088 -10.501 1.00 0.00 N ATOM 1227 CA GLY A 78 -2.807 -14.445 -10.879 1.00 0.00 C ATOM 1228 C GLY A 78 -3.755 -13.556 -10.072 1.00 0.00 C ATOM 1229 O GLY A 78 -4.938 -13.464 -10.339 1.00 0.00 O ATOM 0 H GLY A 78 -1.026 -13.251 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.963 -14.297 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.002 -15.497 -10.671 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.210 -12.871 -9.109 1.00 0.00 N ATOM 1234 CA PHE A 79 -3.992 -11.941 -8.247 1.00 0.00 C ATOM 1235 C PHE A 79 -4.631 -10.860 -9.128 1.00 0.00 C ATOM 1236 O PHE A 79 -5.640 -10.286 -8.780 1.00 0.00 O ATOM 1237 CB PHE A 79 -2.983 -11.303 -7.281 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.875 -12.107 -5.997 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.384 -13.425 -6.050 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.266 -11.555 -4.755 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.279 -14.191 -4.871 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.159 -12.323 -3.579 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.665 -13.639 -3.638 1.00 0.00 C ATOM 0 H PHE A 79 -2.218 -12.919 -8.875 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.785 -12.455 -7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.005 -11.242 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.290 -10.283 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.087 -13.851 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.646 -10.545 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.902 -15.202 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.457 -11.901 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.582 -14.225 -2.735 1.00 0.00 H new ATOM 1253 N LEU A 80 -4.026 -10.546 -10.253 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.592 -9.478 -11.140 1.00 0.00 C ATOM 1255 C LEU A 80 -4.532 -9.899 -12.622 1.00 0.00 C ATOM 1256 O LEU A 80 -3.653 -10.616 -13.057 1.00 0.00 O ATOM 1257 CB LEU A 80 -3.759 -8.190 -10.919 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.426 -6.943 -11.535 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -5.555 -6.433 -10.623 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -3.379 -5.838 -11.792 1.00 0.00 C ATOM 0 H LEU A 80 -3.169 -10.982 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.640 -9.309 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.617 -8.032 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.769 -8.322 -11.356 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.864 -7.220 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.016 -5.553 -11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.306 -7.214 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.145 -6.171 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.869 -4.967 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.908 -5.557 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.620 -6.209 -12.481 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.470 -9.405 -13.385 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.544 -9.683 -14.850 1.00 0.00 C ATOM 1274 C VAL A 81 -5.714 -8.324 -15.536 1.00 0.00 C ATOM 1275 O VAL A 81 -6.426 -7.486 -15.036 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.754 -10.576 -15.157 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.047 -9.763 -15.015 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.642 -11.116 -16.591 1.00 0.00 C ATOM 0 H VAL A 81 -6.214 -8.799 -13.040 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.651 -10.200 -15.201 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.774 -11.409 -14.455 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.904 -10.401 -15.234 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.128 -9.383 -13.996 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.029 -8.927 -15.714 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.501 -11.750 -16.809 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.619 -10.282 -17.293 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.726 -11.699 -16.690 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.073 -8.066 -16.649 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.260 -6.721 -17.303 1.00 0.00 C ATOM 1290 C GLU A 82 -6.055 -6.835 -18.593 1.00 0.00 C ATOM 1291 O GLU A 82 -5.814 -7.712 -19.401 1.00 0.00 O ATOM 1292 CB GLU A 82 -3.887 -6.095 -17.586 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.191 -5.747 -16.266 1.00 0.00 C ATOM 1294 CD GLU A 82 -1.821 -5.124 -16.553 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.444 -5.079 -17.712 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.175 -4.703 -15.608 1.00 0.00 O ATOM 0 H GLU A 82 -4.441 -8.707 -17.129 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.823 -6.084 -16.621 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.272 -6.789 -18.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.005 -5.197 -18.193 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.804 -5.052 -15.693 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.073 -6.644 -15.658 1.00 0.00 H new ATOM 1303 N VAL A 83 -7.006 -5.946 -18.816 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.784 -6.038 -20.076 1.00 0.00 C ATOM 1305 C VAL A 83 -7.457 -4.818 -20.925 1.00 0.00 C ATOM 1306 O VAL A 83 -7.608 -3.660 -20.533 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.280 -6.109 -19.778 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -10.070 -6.205 -21.085 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.567 -7.352 -18.926 1.00 0.00 C ATOM 0 H VAL A 83 -7.263 -5.183 -18.189 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.517 -6.946 -20.617 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.581 -5.210 -19.241 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.136 -6.255 -20.863 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.868 -5.326 -21.698 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.770 -7.102 -21.627 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.634 -7.407 -18.711 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.260 -8.245 -19.470 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.011 -7.288 -17.991 1.00 0.00 H new ATOM 1319 N SER A 84 -7.048 -5.113 -22.105 1.00 0.00 N ATOM 1320 CA SER A 84 -6.708 -4.081 -23.091 1.00 0.00 C ATOM 1321 C SER A 84 -7.957 -3.661 -23.826 1.00 0.00 C ATOM 1322 O SER A 84 -7.928 -2.731 -24.589 1.00 0.00 O ATOM 1323 CB SER A 84 -5.624 -4.562 -24.058 1.00 0.00 C ATOM 1324 OG SER A 84 -5.218 -3.479 -24.882 1.00 0.00 O ATOM 0 H SER A 84 -6.930 -6.069 -22.442 1.00 0.00 H new ATOM 0 HA SER A 84 -6.298 -3.217 -22.568 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.771 -4.951 -23.502 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.004 -5.379 -24.672 1.00 0.00 H new ATOM 0 HG SER A 84 -5.993 -2.916 -25.087 1.00 0.00 H new ATOM 1330 N ARG A 85 -9.040 -4.387 -23.703 1.00 0.00 N ATOM 1331 CA ARG A 85 -10.253 -4.020 -24.492 1.00 0.00 C ATOM 1332 C ARG A 85 -11.041 -2.956 -23.722 1.00 0.00 C ATOM 1333 O ARG A 85 -12.188 -2.639 -23.955 1.00 0.00 O ATOM 1334 CB ARG A 85 -11.126 -5.270 -24.686 1.00 0.00 C ATOM 1335 CG ARG A 85 -10.425 -6.296 -25.625 1.00 0.00 C ATOM 1336 CD ARG A 85 -11.288 -7.560 -25.769 1.00 0.00 C ATOM 1337 NE ARG A 85 -10.603 -8.540 -26.655 1.00 0.00 N ATOM 1338 CZ ARG A 85 -11.169 -9.686 -26.918 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -12.331 -9.971 -26.399 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -10.576 -10.545 -27.700 1.00 0.00 N ATOM 0 H ARG A 85 -9.136 -5.205 -23.101 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.962 -3.628 -25.466 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.326 -5.733 -23.720 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -12.090 -4.984 -25.108 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.257 -5.848 -26.604 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.447 -6.559 -25.223 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.466 -8.004 -24.789 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.262 -7.301 -26.183 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.692 -8.316 -27.056 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.796 -9.299 -25.789 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.775 -10.866 -26.603 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.668 -10.322 -28.107 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.020 -11.440 -27.904 1.00 0.00 H new ATOM 1354 N TYR A 86 -10.352 -2.534 -22.699 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.812 -1.579 -21.659 1.00 0.00 C ATOM 1356 C TYR A 86 -9.723 -0.574 -21.235 1.00 0.00 C ATOM 1357 O TYR A 86 -8.694 -0.923 -20.695 1.00 0.00 O ATOM 1358 CB TYR A 86 -11.211 -2.446 -20.432 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.648 -2.924 -20.565 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.962 -4.009 -21.412 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.671 -2.276 -19.843 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -14.295 -4.445 -21.532 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -15.003 -2.718 -19.964 1.00 0.00 C ATOM 1364 CZ TYR A 86 -15.316 -3.799 -20.809 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.620 -4.228 -20.929 1.00 0.00 O ATOM 0 H TYR A 86 -9.396 -2.849 -22.535 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.636 -0.984 -22.054 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.542 -3.303 -20.351 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.097 -1.866 -19.516 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.180 -4.504 -21.968 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.434 -1.442 -19.198 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.535 -5.276 -22.179 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.786 -2.226 -19.407 1.00 0.00 H new ATOM 0 HH TYR A 86 -17.199 -3.676 -20.363 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.978 0.668 -21.583 1.00 0.00 N ATOM 1376 CA ASN A 87 -9.069 1.847 -21.354 1.00 0.00 C ATOM 1377 C ASN A 87 -8.098 1.974 -22.536 1.00 0.00 C ATOM 1378 O ASN A 87 -6.991 1.478 -22.479 1.00 0.00 O ATOM 1379 CB ASN A 87 -8.268 1.685 -20.058 1.00 0.00 C ATOM 1380 CG ASN A 87 -9.228 1.642 -18.867 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -10.439 1.180 -19.041 1.00 0.00 O flip ATOM 1382 ND2 ASN A 87 -8.881 2.036 -17.773 1.00 0.00 N flip ATOM 0 H ASN A 87 -10.846 0.929 -22.052 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.683 2.744 -21.269 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.677 0.770 -20.095 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.568 2.513 -19.945 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.937 2.396 -17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.534 2.007 -16.990 1.00 0.00 H new ATOM 1389 N LYS A 88 -8.439 2.735 -23.548 1.00 0.00 N ATOM 1390 CA LYS A 88 -7.461 2.953 -24.664 1.00 0.00 C ATOM 1391 C LYS A 88 -6.279 3.733 -24.068 1.00 0.00 C ATOM 1392 O LYS A 88 -5.261 3.961 -24.688 1.00 0.00 O ATOM 1393 CB LYS A 88 -8.111 3.784 -25.776 1.00 0.00 C ATOM 1394 CG LYS A 88 -9.090 2.920 -26.579 1.00 0.00 C ATOM 1395 CD LYS A 88 -10.418 2.835 -25.823 1.00 0.00 C ATOM 1396 CE LYS A 88 -11.445 2.110 -26.691 1.00 0.00 C ATOM 1397 NZ LYS A 88 -12.764 2.101 -25.996 1.00 0.00 N ATOM 0 H LYS A 88 -9.337 3.208 -23.651 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.139 2.003 -25.091 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.636 4.636 -25.344 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.343 4.185 -26.437 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.247 3.350 -27.568 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.677 1.922 -26.727 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.281 2.304 -24.881 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.774 3.835 -25.576 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.535 2.605 -27.658 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.117 1.089 -26.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.464 1.608 -26.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.672 1.610 -25.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.077 3.079 -25.833 1.00 0.00 H new ATOM 1411 N PHE A 89 -6.446 4.088 -22.815 1.00 0.00 N ATOM 1412 CA PHE A 89 -5.428 4.841 -22.020 1.00 0.00 C ATOM 1413 C PHE A 89 -4.355 3.815 -21.665 1.00 0.00 C ATOM 1414 O PHE A 89 -3.273 3.788 -22.210 1.00 0.00 O ATOM 1415 CB PHE A 89 -6.058 5.413 -20.751 1.00 0.00 C ATOM 1416 CG PHE A 89 -6.853 6.650 -21.101 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -6.201 7.888 -21.244 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -8.243 6.562 -21.293 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -6.940 9.042 -21.576 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -8.983 7.713 -21.623 1.00 0.00 C ATOM 1421 CZ PHE A 89 -8.329 8.954 -21.767 1.00 0.00 C ATOM 0 H PHE A 89 -7.292 3.873 -22.288 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.018 5.683 -22.578 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.706 4.670 -20.286 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.283 5.658 -20.025 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.133 7.955 -21.099 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.743 5.611 -21.187 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.439 9.993 -21.683 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.051 7.646 -21.766 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.896 9.837 -22.024 1.00 0.00 H new ATOM 1431 N MET A 90 -4.644 3.061 -20.650 1.00 0.00 N ATOM 1432 CA MET A 90 -3.690 2.063 -20.080 1.00 0.00 C ATOM 1433 C MET A 90 -4.312 0.820 -19.456 1.00 0.00 C ATOM 1434 O MET A 90 -4.432 0.668 -18.259 1.00 0.00 O ATOM 1435 CB MET A 90 -2.853 2.741 -18.988 1.00 0.00 C ATOM 1436 CG MET A 90 -1.916 3.810 -19.601 1.00 0.00 C ATOM 1437 SD MET A 90 -0.841 4.485 -18.312 1.00 0.00 S ATOM 1438 CE MET A 90 -0.152 5.856 -19.276 1.00 0.00 C ATOM 0 H MET A 90 -5.542 3.094 -20.167 1.00 0.00 H new ATOM 0 HA MET A 90 -3.109 1.722 -20.937 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.511 3.205 -18.254 1.00 0.00 H new ATOM 0 HB3 MET A 90 -2.263 1.993 -18.459 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.315 3.369 -20.396 1.00 0.00 H new ATOM 0 HG3 MET A 90 -2.505 4.608 -20.053 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.551 6.417 -18.660 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.366 5.462 -20.150 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.958 6.515 -19.598 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.653 -0.086 -20.354 1.00 0.00 N ATOM 1449 CA LYS A 91 -5.213 -1.420 -20.005 1.00 0.00 C ATOM 1450 C LYS A 91 -5.945 -1.425 -18.678 1.00 0.00 C ATOM 1451 O LYS A 91 -5.318 -1.685 -17.676 1.00 0.00 O ATOM 1452 CB LYS A 91 -4.058 -2.474 -19.988 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.997 -2.253 -21.133 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.655 -1.717 -20.548 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.620 -1.412 -21.663 1.00 0.00 C ATOM 1456 NZ LYS A 91 0.638 -0.917 -21.047 1.00 0.00 N ATOM 0 H LYS A 91 -4.556 0.064 -21.358 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.950 -1.676 -20.766 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.554 -2.435 -19.022 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.485 -3.472 -20.085 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.821 -3.192 -21.658 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.388 -1.547 -21.866 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.846 -0.812 -19.972 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.240 -2.452 -19.858 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.423 -2.311 -22.247 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.019 -0.666 -22.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.333 -0.712 -21.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.443 -0.049 -20.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.020 -1.643 -20.408 1.00 0.00 H new ATOM 1470 N ILE A 92 -7.260 -1.196 -18.571 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.744 -1.287 -17.154 1.00 0.00 C ATOM 1472 C ILE A 92 -7.175 -2.419 -16.298 1.00 0.00 C ATOM 1473 O ILE A 92 -7.402 -3.588 -16.539 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.317 -1.277 -17.147 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -9.883 -0.401 -15.995 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.852 -2.715 -17.034 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -9.480 -0.972 -14.622 1.00 0.00 C ATOM 0 H ILE A 92 -7.932 -0.978 -19.307 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.344 -0.404 -16.655 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.651 -0.839 -18.088 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.512 0.619 -16.092 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.969 -0.353 -16.069 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -10.942 -2.698 -17.030 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.501 -3.302 -17.883 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.492 -3.165 -16.109 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.888 -0.342 -13.832 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.873 -1.983 -14.519 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.393 -0.996 -14.543 1.00 0.00 H new ATOM 1489 N CYS A 93 -6.565 -2.050 -15.179 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.093 -3.091 -14.254 1.00 0.00 C ATOM 1491 C CYS A 93 -7.419 -3.680 -13.740 1.00 0.00 C ATOM 1492 O CYS A 93 -8.213 -2.969 -13.159 1.00 0.00 O ATOM 1493 CB CYS A 93 -5.283 -2.472 -13.105 1.00 0.00 C ATOM 1494 SG CYS A 93 -3.581 -2.186 -13.658 1.00 0.00 S ATOM 0 H CYS A 93 -6.388 -1.087 -14.892 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.431 -3.827 -14.711 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.738 -1.533 -12.789 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.290 -3.136 -12.241 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.892 -1.660 -12.689 1.00 0.00 H new ATOM 1500 N ALA A 94 -7.710 -4.921 -13.991 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.021 -5.490 -13.531 1.00 0.00 C ATOM 1502 C ALA A 94 -8.836 -6.448 -12.361 1.00 0.00 C ATOM 1503 O ALA A 94 -7.919 -7.250 -12.322 1.00 0.00 O ATOM 1504 CB ALA A 94 -9.660 -6.246 -14.702 1.00 0.00 C ATOM 0 H ALA A 94 -7.105 -5.572 -14.492 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.658 -4.671 -13.198 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.615 -6.667 -14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.823 -5.559 -15.533 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.997 -7.050 -15.021 1.00 0.00 H new ATOM 1510 N LEU A 95 -9.727 -6.380 -11.409 1.00 0.00 N ATOM 1511 CA LEU A 95 -9.646 -7.275 -10.214 1.00 0.00 C ATOM 1512 C LEU A 95 -10.380 -8.580 -10.535 1.00 0.00 C ATOM 1513 O LEU A 95 -11.476 -8.571 -11.074 1.00 0.00 O ATOM 1514 CB LEU A 95 -10.285 -6.575 -8.998 1.00 0.00 C ATOM 1515 CG LEU A 95 -9.445 -5.366 -8.570 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -10.182 -4.563 -7.486 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -8.105 -5.863 -8.019 1.00 0.00 C ATOM 0 H LEU A 95 -10.518 -5.735 -11.407 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.606 -7.495 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.296 -6.253 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.369 -7.278 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.278 -4.719 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.575 -3.707 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.136 -4.212 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.358 -5.199 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.499 -5.011 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.282 -6.511 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.578 -6.422 -8.792 1.00 0.00 H new ATOM 1529 N THR A 96 -9.791 -9.710 -10.227 1.00 0.00 N ATOM 1530 CA THR A 96 -10.452 -11.032 -10.505 1.00 0.00 C ATOM 1531 C THR A 96 -11.057 -11.601 -9.218 1.00 0.00 C ATOM 1532 O THR A 96 -10.794 -11.127 -8.127 1.00 0.00 O ATOM 1533 CB THR A 96 -9.401 -12.006 -11.042 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.283 -12.027 -10.161 1.00 0.00 O ATOM 1535 CG2 THR A 96 -8.952 -11.560 -12.433 1.00 0.00 C ATOM 0 H THR A 96 -8.872 -9.777 -9.791 1.00 0.00 H new ATOM 0 HA THR A 96 -11.247 -10.892 -11.238 1.00 0.00 H new ATOM 0 HB THR A 96 -9.830 -13.006 -11.107 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.609 -12.652 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.203 -12.255 -12.814 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.810 -11.546 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.522 -10.560 -12.373 1.00 0.00 H new ATOM 1543 N LYS A 97 -11.864 -12.622 -9.339 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.489 -13.245 -8.132 1.00 0.00 C ATOM 1545 C LYS A 97 -11.418 -13.456 -7.062 1.00 0.00 C ATOM 1546 O LYS A 97 -11.717 -13.657 -5.902 1.00 0.00 O ATOM 1547 CB LYS A 97 -13.098 -14.594 -8.508 1.00 0.00 C ATOM 1548 CG LYS A 97 -14.093 -14.406 -9.664 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.407 -13.780 -9.160 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.421 -13.687 -10.302 1.00 0.00 C ATOM 1551 NZ LYS A 97 -17.687 -13.088 -9.796 1.00 0.00 N ATOM 0 H LYS A 97 -12.119 -13.055 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.270 -12.589 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.312 -15.290 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.604 -15.029 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.651 -13.768 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.300 -15.369 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.817 -14.381 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.213 -12.787 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.017 -13.080 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.614 -14.678 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.421 -13.823 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.528 -12.687 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.998 -12.335 -10.443 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.170 -13.417 -7.446 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.066 -13.627 -6.466 1.00 0.00 C ATOM 1567 C LYS A 98 -9.117 -12.535 -5.392 1.00 0.00 C ATOM 1568 O LYS A 98 -9.028 -12.811 -4.211 1.00 0.00 O ATOM 1569 CB LYS A 98 -7.707 -13.623 -7.226 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.691 -14.544 -8.474 1.00 0.00 C ATOM 1571 CD LYS A 98 -7.737 -16.019 -8.055 1.00 0.00 C ATOM 1572 CE LYS A 98 -7.685 -16.904 -9.307 1.00 0.00 C ATOM 1573 NZ LYS A 98 -6.339 -16.802 -9.935 1.00 0.00 N ATOM 0 H LYS A 98 -9.866 -13.247 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.177 -14.589 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.476 -12.603 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.917 -13.937 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.544 -14.315 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.792 -14.355 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.898 -16.249 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.648 -16.220 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.896 -17.940 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.453 -16.594 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.195 -17.605 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.271 -15.912 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.608 -16.818 -9.195 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.189 -11.303 -5.790 1.00 0.00 N ATOM 1588 CA GLY A 99 -9.171 -10.199 -4.780 1.00 0.00 C ATOM 1589 C GLY A 99 -10.602 -9.768 -4.413 1.00 0.00 C ATOM 1590 O GLY A 99 -10.801 -9.169 -3.399 1.00 0.00 O ATOM 0 H GLY A 99 -9.259 -11.005 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.645 -10.529 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.620 -9.346 -5.177 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.594 -10.095 -5.198 1.00 0.00 N ATOM 1595 CA ARG A 100 -13.005 -9.679 -4.850 1.00 0.00 C ATOM 1596 C ARG A 100 -13.416 -10.343 -3.529 1.00 0.00 C ATOM 1597 O ARG A 100 -14.004 -9.710 -2.617 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.957 -10.133 -5.962 1.00 0.00 C ATOM 1599 CG ARG A 100 -15.367 -9.627 -5.663 1.00 0.00 C ATOM 1600 CD ARG A 100 -16.304 -10.016 -6.809 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.910 -9.287 -8.044 1.00 0.00 N ATOM 1602 CZ ARG A 100 -16.591 -9.448 -9.146 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -17.613 -10.261 -9.168 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -16.248 -8.798 -10.222 1.00 0.00 N ATOM 0 H ARG A 100 -11.500 -10.629 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.053 -8.595 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.618 -9.750 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.957 -11.221 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.726 -10.052 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.357 -8.544 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.259 -11.092 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.335 -9.777 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.106 -8.660 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.878 -10.769 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.146 -10.387 -10.029 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.449 -8.165 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.779 -8.922 -11.084 1.00 0.00 H new ATOM 1618 N ASN A 101 -13.062 -11.607 -3.380 1.00 0.00 N ATOM 1619 CA ASN A 101 -13.404 -12.311 -2.123 1.00 0.00 C ATOM 1620 C ASN A 101 -12.540 -11.667 -1.063 1.00 0.00 C ATOM 1621 O ASN A 101 -12.974 -11.388 0.031 1.00 0.00 O ATOM 1622 CB ASN A 101 -13.085 -13.810 -2.235 1.00 0.00 C ATOM 1623 CG ASN A 101 -11.690 -13.992 -2.843 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -10.746 -13.351 -2.430 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -11.522 -14.848 -3.813 1.00 0.00 N ATOM 0 H ASN A 101 -12.559 -12.162 -4.072 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.466 -12.233 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.128 -14.276 -1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.831 -14.306 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -10.598 -14.978 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.315 -15.387 -4.161 1.00 0.00 H new ATOM 1632 N TRP A 102 -11.331 -11.306 -1.419 1.00 0.00 N ATOM 1633 CA TRP A 102 -10.481 -10.622 -0.426 1.00 0.00 C ATOM 1634 C TRP A 102 -11.116 -9.286 0.021 1.00 0.00 C ATOM 1635 O TRP A 102 -11.131 -8.946 1.184 1.00 0.00 O ATOM 1636 CB TRP A 102 -9.088 -10.325 -1.002 1.00 0.00 C ATOM 1637 CG TRP A 102 -8.259 -9.735 0.102 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -7.529 -10.446 0.969 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -8.148 -8.352 0.518 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -6.959 -9.592 1.897 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -7.307 -8.285 1.661 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -8.682 -7.154 0.017 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -7.012 -7.067 2.287 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -8.391 -5.929 0.640 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -7.562 -5.882 1.768 1.00 0.00 C ATOM 0 H TRP A 102 -10.912 -11.456 -2.337 1.00 0.00 H new ATOM 0 HA TRP A 102 -10.390 -11.292 0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.628 -11.237 -1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -9.160 -9.632 -1.840 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.404 -11.519 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.356 -9.896 2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.321 -7.174 -0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.371 -7.039 3.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.810 -5.015 0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.345 -4.935 2.239 1.00 0.00 H new ATOM 1656 N LEU A 103 -11.614 -8.531 -0.938 1.00 0.00 N ATOM 1657 CA LEU A 103 -12.219 -7.189 -0.672 1.00 0.00 C ATOM 1658 C LEU A 103 -13.487 -7.336 0.183 1.00 0.00 C ATOM 1659 O LEU A 103 -13.737 -6.546 1.073 1.00 0.00 O ATOM 1660 CB LEU A 103 -12.614 -6.547 -2.019 1.00 0.00 C ATOM 1661 CG LEU A 103 -13.300 -5.168 -1.805 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -12.387 -4.232 -1.006 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -13.598 -4.525 -3.166 1.00 0.00 C ATOM 0 H LEU A 103 -11.624 -8.803 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.494 -6.571 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.727 -6.422 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.289 -7.212 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.226 -5.325 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.883 -3.272 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.173 -4.675 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.454 -4.082 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.079 -3.559 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.666 -4.385 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.261 -5.174 -3.738 1.00 0.00 H new ATOM 1675 N HIS A 104 -14.300 -8.319 -0.086 1.00 0.00 N ATOM 1676 CA HIS A 104 -15.567 -8.480 0.693 1.00 0.00 C ATOM 1677 C HIS A 104 -15.346 -8.895 2.161 1.00 0.00 C ATOM 1678 O HIS A 104 -16.274 -8.833 2.945 1.00 0.00 O ATOM 1679 CB HIS A 104 -16.432 -9.546 0.012 1.00 0.00 C ATOM 1680 CG HIS A 104 -16.925 -9.036 -1.318 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -17.354 -7.727 -1.497 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -17.064 -9.648 -2.541 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -17.731 -7.596 -2.786 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -17.572 -8.737 -3.461 1.00 0.00 N ATOM 0 H HIS A 104 -14.145 -9.020 -0.811 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.052 -7.504 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -15.854 -10.459 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.278 -9.801 0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.817 -10.677 -2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -18.113 -6.683 -3.218 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.780 -8.905 -4.445 1.00 0.00 H new ATOM 1693 N LYS A 105 -14.175 -9.376 2.555 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.995 -9.812 3.988 1.00 0.00 C ATOM 1695 C LYS A 105 -12.661 -9.350 4.580 1.00 0.00 C ATOM 1696 O LYS A 105 -12.640 -8.802 5.662 1.00 0.00 O ATOM 1697 CB LYS A 105 -14.142 -11.354 4.080 1.00 0.00 C ATOM 1698 CG LYS A 105 -14.552 -11.796 5.498 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.843 -13.299 5.510 1.00 0.00 C ATOM 1700 CE LYS A 105 -13.531 -14.065 5.667 1.00 0.00 C ATOM 1701 NZ LYS A 105 -12.881 -13.669 6.949 1.00 0.00 N ATOM 0 H LYS A 105 -13.355 -9.483 1.958 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.773 -9.335 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.888 -11.693 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.199 -11.828 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.755 -11.565 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.434 -11.243 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.521 -13.544 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.341 -13.592 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.720 -15.138 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.869 -13.851 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.338 -14.472 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.241 -12.867 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.610 -13.391 7.637 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.550 -9.593 3.929 1.00 0.00 N ATOM 1716 CA ALA A 106 -10.231 -9.139 4.573 1.00 0.00 C ATOM 1717 C ALA A 106 -9.959 -7.665 4.275 1.00 0.00 C ATOM 1718 O ALA A 106 -8.830 -7.237 4.144 1.00 0.00 O ATOM 1719 CB ALA A 106 -9.027 -9.943 4.049 1.00 0.00 C ATOM 0 H ALA A 106 -11.475 -10.060 3.025 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.345 -9.304 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.116 -9.589 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.169 -11.000 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.942 -9.810 2.970 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.984 -6.919 4.127 1.00 0.00 N ATOM 1726 CA ASN A 107 -10.847 -5.471 3.802 1.00 0.00 C ATOM 1727 C ASN A 107 -10.039 -4.723 4.879 1.00 0.00 C ATOM 1728 O ASN A 107 -9.356 -3.766 4.575 1.00 0.00 O ATOM 1729 CB ASN A 107 -12.246 -4.851 3.693 1.00 0.00 C ATOM 1730 CG ASN A 107 -12.125 -3.352 3.381 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -11.198 -2.935 2.563 1.00 0.00 O flip ATOM 1732 ND2 ASN A 107 -12.889 -2.553 3.887 1.00 0.00 N flip ATOM 0 H ASN A 107 -11.947 -7.245 4.217 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.312 -5.380 2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.816 -5.351 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.792 -4.995 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.615 -2.876 4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -12.804 -1.560 3.672 1.00 0.00 H new ATOM 1739 N THR A 108 -10.084 -5.137 6.126 1.00 0.00 N ATOM 1740 CA THR A 108 -9.276 -4.408 7.163 1.00 0.00 C ATOM 1741 C THR A 108 -7.788 -4.781 7.019 1.00 0.00 C ATOM 1742 O THR A 108 -7.098 -4.263 6.162 1.00 0.00 O ATOM 1743 CB THR A 108 -9.768 -4.813 8.551 1.00 0.00 C ATOM 1744 OG1 THR A 108 -11.164 -4.566 8.649 1.00 0.00 O ATOM 1745 CG2 THR A 108 -9.025 -3.999 9.613 1.00 0.00 C ATOM 0 H THR A 108 -10.631 -5.928 6.466 1.00 0.00 H new ATOM 0 HA THR A 108 -9.391 -3.333 7.027 1.00 0.00 H new ATOM 0 HB THR A 108 -9.577 -5.874 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.481 -4.827 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.376 -4.288 10.604 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.955 -4.192 9.536 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.215 -2.937 9.456 1.00 0.00 H new ATOM 1753 N GLU A 109 -7.287 -5.685 7.826 1.00 0.00 N ATOM 1754 CA GLU A 109 -5.885 -6.086 7.722 1.00 0.00 C ATOM 1755 C GLU A 109 -5.752 -7.546 8.180 1.00 0.00 C ATOM 1756 O GLU A 109 -5.213 -7.829 9.231 1.00 0.00 O ATOM 1757 CB GLU A 109 -5.103 -5.164 8.664 1.00 0.00 C ATOM 1758 CG GLU A 109 -5.017 -3.746 8.071 1.00 0.00 C ATOM 1759 CD GLU A 109 -4.081 -2.865 8.909 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -3.541 -3.362 9.880 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -3.908 -1.711 8.550 1.00 0.00 O ATOM 0 H GLU A 109 -7.815 -6.159 8.559 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.509 -6.009 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.591 -5.130 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.100 -5.561 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.655 -3.797 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.011 -3.300 8.036 1.00 0.00 H new ATOM 1768 N SER A 110 -6.234 -8.479 7.404 1.00 0.00 N ATOM 1769 CA SER A 110 -6.116 -9.905 7.826 1.00 0.00 C ATOM 1770 C SER A 110 -5.708 -10.720 6.601 1.00 0.00 C ATOM 1771 O SER A 110 -6.533 -11.312 5.952 1.00 0.00 O ATOM 1772 CB SER A 110 -7.469 -10.402 8.344 1.00 0.00 C ATOM 1773 OG SER A 110 -7.793 -9.712 9.542 1.00 0.00 O ATOM 0 H SER A 110 -6.698 -8.320 6.509 1.00 0.00 H new ATOM 0 HA SER A 110 -5.377 -10.009 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.242 -10.236 7.594 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.429 -11.476 8.528 1.00 0.00 H new ATOM 0 HG SER A 110 -8.659 -10.026 9.876 1.00 0.00 H new ATOM 1779 N GLN A 111 -4.441 -10.712 6.270 1.00 0.00 N ATOM 1780 CA GLN A 111 -3.952 -11.460 5.063 1.00 0.00 C ATOM 1781 C GLN A 111 -2.439 -11.293 4.962 1.00 0.00 C ATOM 1782 O GLN A 111 -1.940 -10.301 5.425 1.00 0.00 O ATOM 1783 CB GLN A 111 -4.577 -10.820 3.824 1.00 0.00 C ATOM 1784 CG GLN A 111 -4.236 -9.322 3.749 1.00 0.00 C ATOM 1785 CD GLN A 111 -4.914 -8.555 4.888 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -6.125 -8.530 4.979 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -4.185 -7.932 5.767 1.00 0.00 N ATOM 0 H GLN A 111 -3.715 -10.216 6.787 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.216 -12.515 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.216 -11.325 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.659 -10.950 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.156 -9.187 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.559 -8.918 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.168 -7.952 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.630 -7.424 6.531 1.00 0.00 H new ATOM 1796 N SER A 112 -1.688 -12.205 4.340 1.00 0.00 N ATOM 1797 CA SER A 112 -0.202 -11.950 4.257 1.00 0.00 C ATOM 1798 C SER A 112 0.357 -12.628 2.991 1.00 0.00 C ATOM 1799 O SER A 112 0.572 -13.818 2.914 1.00 0.00 O ATOM 1800 CB SER A 112 0.453 -12.558 5.506 1.00 0.00 C ATOM 1801 OG SER A 112 0.086 -11.818 6.656 1.00 0.00 O ATOM 0 H SER A 112 -2.024 -13.067 3.910 1.00 0.00 H new ATOM 0 HA SER A 112 0.005 -10.881 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.144 -13.597 5.619 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.537 -12.558 5.394 1.00 0.00 H new ATOM 0 HG SER A 112 -0.535 -11.104 6.401 1.00 0.00 H new ATOM 1807 N LEU A 113 0.637 -11.804 2.029 1.00 0.00 N ATOM 1808 CA LEU A 113 1.223 -12.195 0.713 1.00 0.00 C ATOM 1809 C LEU A 113 2.677 -11.739 0.852 1.00 0.00 C ATOM 1810 O LEU A 113 2.942 -10.576 0.614 1.00 0.00 O ATOM 1811 CB LEU A 113 0.544 -11.397 -0.443 1.00 0.00 C ATOM 1812 CG LEU A 113 1.038 -11.799 -1.845 1.00 0.00 C ATOM 1813 CD1 LEU A 113 1.036 -13.321 -2.004 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.144 -11.166 -2.920 1.00 0.00 C ATOM 0 H LEU A 113 0.471 -10.800 2.106 1.00 0.00 H new ATOM 0 HA LEU A 113 1.102 -13.254 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.535 -11.546 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.727 -10.333 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 113 2.059 -11.437 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.388 -13.583 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.695 -13.766 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.023 -13.700 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.502 -11.456 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.882 -11.511 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.176 -10.080 -2.827 1.00 0.00 H new ATOM 1826 N ILE A 114 3.657 -12.592 1.006 1.00 0.00 N ATOM 1827 CA ILE A 114 5.025 -11.997 0.966 1.00 0.00 C ATOM 1828 C ILE A 114 5.109 -12.130 -0.560 1.00 0.00 C ATOM 1829 O ILE A 114 4.574 -13.079 -1.087 1.00 0.00 O ATOM 1830 CB ILE A 114 6.036 -12.850 1.800 1.00 0.00 C ATOM 1831 CG1 ILE A 114 5.644 -12.831 3.287 1.00 0.00 C ATOM 1832 CG2 ILE A 114 7.455 -12.325 1.663 1.00 0.00 C ATOM 1833 CD1 ILE A 114 6.485 -13.845 4.078 1.00 0.00 C ATOM 0 H ILE A 114 3.584 -13.600 1.147 1.00 0.00 H new ATOM 0 HA ILE A 114 5.231 -11.011 1.382 1.00 0.00 H new ATOM 0 HB ILE A 114 5.999 -13.868 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.791 -11.831 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.585 -13.066 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.130 -12.942 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.756 -12.360 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.498 -11.296 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.194 -13.818 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.317 -14.846 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.541 -13.591 3.987 1.00 0.00 H new ATOM 1845 N LEU A 115 5.533 -11.117 -1.307 1.00 0.00 N ATOM 1846 CA LEU A 115 5.406 -11.265 -2.822 1.00 0.00 C ATOM 1847 C LEU A 115 6.652 -11.591 -3.626 1.00 0.00 C ATOM 1848 O LEU A 115 7.792 -11.580 -3.162 1.00 0.00 O ATOM 1849 CB LEU A 115 4.963 -9.892 -3.340 1.00 0.00 C ATOM 1850 CG LEU A 115 3.485 -9.542 -2.921 1.00 0.00 C ATOM 1851 CD1 LEU A 115 2.324 -8.527 -2.734 1.00 0.00 C ATOM 1852 CD2 LEU A 115 4.475 -8.944 -3.936 1.00 0.00 C ATOM 0 H LEU A 115 5.938 -10.245 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 115 4.735 -12.114 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.638 -9.127 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.044 -9.873 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 115 2.845 -10.171 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.447 -9.045 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.628 -7.752 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.081 -8.071 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.008 -8.103 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.368 -8.600 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.752 -9.705 -4.666 1.00 0.00 H new ATOM 1864 N GLN A 116 6.397 -11.685 -4.880 1.00 0.00 N ATOM 1865 CA GLN A 116 7.442 -11.929 -5.855 1.00 0.00 C ATOM 1866 C GLN A 116 8.366 -10.755 -5.645 1.00 0.00 C ATOM 1867 O GLN A 116 7.824 -9.695 -5.611 1.00 0.00 O ATOM 1868 CB GLN A 116 6.838 -11.723 -7.243 1.00 0.00 C ATOM 1869 CG GLN A 116 7.939 -11.647 -8.306 1.00 0.00 C ATOM 1870 CD GLN A 116 7.331 -11.817 -9.700 1.00 0.00 C ATOM 1871 OE1 GLN A 116 7.190 -10.774 -10.468 1.00 0.00 O flip ATOM 1872 NE2 GLN A 116 6.973 -12.910 -10.090 1.00 0.00 N flip ATOM 0 H GLN A 116 5.462 -11.597 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 116 7.901 -12.914 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.158 -12.543 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.249 -10.806 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.455 -10.689 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.683 -12.423 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.083 -13.727 -9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.562 -13.011 -11.018 1.00 0.00 H new ATOM 1881 N ALA A 117 9.662 -10.868 -5.518 1.00 0.00 N ATOM 1882 CA ALA A 117 10.489 -9.612 -5.369 1.00 0.00 C ATOM 1883 C ALA A 117 10.484 -8.784 -6.682 1.00 0.00 C ATOM 1884 O ALA A 117 10.401 -9.347 -7.755 1.00 0.00 O ATOM 1885 CB ALA A 117 11.938 -9.967 -5.039 1.00 0.00 C ATOM 0 H ALA A 117 10.182 -11.746 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 117 10.049 -9.025 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.522 -9.053 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.972 -10.528 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.356 -10.574 -5.842 1.00 0.00 H new ATOM 1891 N ASN A 118 10.538 -7.466 -6.618 1.00 0.00 N ATOM 1892 CA ASN A 118 10.511 -6.640 -7.862 1.00 0.00 C ATOM 1893 C ASN A 118 11.769 -6.928 -8.674 1.00 0.00 C ATOM 1894 O ASN A 118 12.802 -7.291 -8.149 1.00 0.00 O ATOM 1895 CB ASN A 118 10.495 -5.135 -7.532 1.00 0.00 C ATOM 1896 CG ASN A 118 9.144 -4.685 -6.961 1.00 0.00 C ATOM 1897 OD1 ASN A 118 8.255 -4.303 -7.695 1.00 0.00 O ATOM 1898 ND2 ASN A 118 8.951 -4.716 -5.660 1.00 0.00 N ATOM 0 H ASN A 118 10.600 -6.933 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 118 9.609 -6.894 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 118 11.284 -4.913 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.716 -4.564 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.056 -4.420 -5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.696 -5.036 -5.041 1.00 0.00 H new ATOM 1905 N GLU A 119 11.679 -6.782 -9.953 1.00 0.00 N ATOM 1906 CA GLU A 119 12.853 -7.050 -10.819 1.00 0.00 C ATOM 1907 C GLU A 119 14.016 -6.080 -10.525 1.00 0.00 C ATOM 1908 O GLU A 119 15.157 -6.498 -10.491 1.00 0.00 O ATOM 1909 CB GLU A 119 12.424 -6.930 -12.282 1.00 0.00 C ATOM 1910 CG GLU A 119 11.693 -5.596 -12.518 1.00 0.00 C ATOM 1911 CD GLU A 119 11.265 -5.489 -13.987 1.00 0.00 C ATOM 1912 OE1 GLU A 119 11.661 -6.339 -14.763 1.00 0.00 O ATOM 1913 OE2 GLU A 119 10.547 -4.552 -14.305 1.00 0.00 O ATOM 0 H GLU A 119 10.836 -6.486 -10.446 1.00 0.00 H new ATOM 0 HA GLU A 119 13.214 -8.057 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.298 -6.993 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.771 -7.762 -12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.819 -5.530 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.346 -4.763 -12.259 1.00 0.00 H new ATOM 1920 N GLU A 120 13.781 -4.797 -10.343 1.00 0.00 N ATOM 1921 CA GLU A 120 14.959 -3.895 -10.075 1.00 0.00 C ATOM 1922 C GLU A 120 15.285 -3.932 -8.586 1.00 0.00 C ATOM 1923 O GLU A 120 14.735 -3.179 -7.811 1.00 0.00 O ATOM 1924 CB GLU A 120 14.650 -2.421 -10.498 1.00 0.00 C ATOM 1925 CG GLU A 120 14.489 -2.247 -12.049 1.00 0.00 C ATOM 1926 CD GLU A 120 14.126 -0.823 -12.379 1.00 0.00 C ATOM 1927 OE1 GLU A 120 14.037 -0.062 -11.455 1.00 0.00 O ATOM 1928 OE2 GLU A 120 13.938 -0.519 -13.547 1.00 0.00 O ATOM 0 H GLU A 120 12.866 -4.348 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 120 15.807 -4.249 -10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.736 -2.092 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.453 -1.773 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.418 -2.519 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.717 -2.922 -12.420 1.00 0.00 H new ATOM 1935 N LEU A 121 16.184 -4.788 -8.163 1.00 0.00 N ATOM 1936 CA LEU A 121 16.497 -4.827 -6.681 1.00 0.00 C ATOM 1937 C LEU A 121 17.862 -4.196 -6.356 1.00 0.00 C ATOM 1938 O LEU A 121 18.689 -4.807 -5.705 1.00 0.00 O ATOM 1939 CB LEU A 121 16.421 -6.294 -6.187 1.00 0.00 C ATOM 1940 CG LEU A 121 15.106 -6.965 -6.641 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.070 -8.418 -6.171 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.917 -6.211 -6.042 1.00 0.00 C ATOM 0 H LEU A 121 16.703 -5.443 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 121 15.755 -4.227 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.272 -6.856 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.489 -6.319 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 121 15.050 -6.939 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.139 -8.883 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.914 -8.960 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.131 -8.450 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.988 -6.683 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.981 -6.236 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.933 -5.176 -6.383 1.00 0.00 H new