USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 979 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 83 THR OG1 : rot 131:sc= 1.2 USER MOD Set 1.2: A 84 MET CE :methyl -154:sc= 0 (180deg=-0.0888) USER MOD Set 2.1: A 63 SER OG : rot 175:sc= 2.24 USER MOD Set 2.2: A 90 THR OG1 : rot 89:sc= 1.1 USER MOD Set 3.1: A 46 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 48 GLN : amide:sc= 1.02 K(o=2.2,f=-6.1!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 1.06 K(o=3.6,f=-8.1!) USER MOD Set 4.2: A 21 THR OG1 : rot -73:sc= 1.27 USER MOD Set 4.3: A 23 LYS NZ :NH3+ -175:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0.0674 USER MOD Set 5.2: A 123 ASN : amide:sc= 0 X(o=0.067,f=-0.31) USER MOD Single : A 8 SER OG : rot 44:sc= 0.235 USER MOD Single : A 10 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.39) USER MOD Single : A 14 MET CE :methyl -177:sc= -0.113 (180deg=-0.119) USER MOD Single : A 25 MET CE :methyl -171:sc= -5.48! (180deg=-5.89!) USER MOD Single : A 28 CYS SG : rot 34:sc= 0.221 USER MOD Single : A 29 MET CE :methyl 177:sc= -0.543 (180deg=-0.562) USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.07) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 THR OG1 : rot -54:sc= 0.501 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.123 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00892 X(o=-0.0089,f=-0.0089) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-3.3!) USER MOD Single : A 94 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 101 CYS SG : rot 152:sc= 0.14 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -116:sc= -0.0766 (180deg=-0.921) USER MOD Single : A 112 SER OG : rot -171:sc= 1.05 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 122 TYR OH : rot 157:sc=-0.00282 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.209 -8.912 5.124 1.00 34.01 N ATOM 54 CA GLY A 5 8.356 -8.299 4.470 1.00 44.12 C ATOM 55 C GLY A 5 8.007 -7.867 3.048 1.00 72.52 C ATOM 56 O GLY A 5 6.834 -7.795 2.671 1.00 31.32 O ATOM 0 HA2 GLY A 5 8.689 -7.435 5.045 1.00 44.12 H new ATOM 0 HA3 GLY A 5 9.186 -9.005 4.446 1.00 44.12 H new ATOM 60 N THR A 6 9.023 -7.536 2.257 1.00 12.41 N ATOM 61 CA THR A 6 8.869 -7.393 0.818 1.00 11.34 C ATOM 62 C THR A 6 8.616 -8.796 0.240 1.00 51.40 C ATOM 63 O THR A 6 9.220 -9.765 0.708 1.00 62.51 O ATOM 64 CB THR A 6 10.137 -6.749 0.208 1.00 23.54 C ATOM 65 OG1 THR A 6 11.025 -6.223 1.182 1.00 24.13 O ATOM 66 CG2 THR A 6 9.794 -5.613 -0.754 1.00 71.13 C ATOM 0 H THR A 6 9.969 -7.361 2.595 1.00 12.41 H new ATOM 0 HA THR A 6 8.031 -6.739 0.576 1.00 11.34 H new ATOM 0 HB THR A 6 10.627 -7.567 -0.320 1.00 23.54 H new ATOM 0 HG1 THR A 6 11.805 -5.832 0.736 1.00 24.13 H new ATOM 0 HG21 THR A 6 10.713 -5.189 -1.159 1.00 71.13 H new ATOM 0 HG22 THR A 6 9.182 -5.999 -1.569 1.00 71.13 H new ATOM 0 HG23 THR A 6 9.242 -4.839 -0.221 1.00 71.13 H new ATOM 74 N VAL A 7 7.753 -8.916 -0.772 1.00 55.33 N ATOM 75 CA VAL A 7 7.449 -10.160 -1.483 1.00 74.10 C ATOM 76 C VAL A 7 7.154 -9.869 -2.965 1.00 2.31 C ATOM 77 O VAL A 7 7.282 -8.726 -3.392 1.00 72.35 O ATOM 78 CB VAL A 7 6.274 -10.890 -0.811 1.00 51.31 C ATOM 79 CG1 VAL A 7 6.541 -11.307 0.638 1.00 61.13 C ATOM 80 CG2 VAL A 7 4.952 -10.106 -0.836 1.00 40.23 C ATOM 0 H VAL A 7 7.227 -8.119 -1.132 1.00 55.33 H new ATOM 0 HA VAL A 7 8.319 -10.815 -1.436 1.00 74.10 H new ATOM 0 HB VAL A 7 6.176 -11.783 -1.429 1.00 51.31 H new ATOM 0 HG11 VAL A 7 5.664 -11.815 1.038 1.00 61.13 H new ATOM 0 HG12 VAL A 7 7.397 -11.981 0.671 1.00 61.13 H new ATOM 0 HG13 VAL A 7 6.753 -10.422 1.238 1.00 61.13 H new ATOM 0 HG21 VAL A 7 4.174 -10.689 -0.343 1.00 40.23 H new ATOM 0 HG22 VAL A 7 5.081 -9.158 -0.314 1.00 40.23 H new ATOM 0 HG23 VAL A 7 4.662 -9.915 -1.869 1.00 40.23 H new ATOM 90 N SER A 8 6.749 -10.854 -3.771 1.00 4.40 N ATOM 91 CA SER A 8 6.260 -10.625 -5.131 1.00 32.24 C ATOM 92 C SER A 8 4.854 -11.205 -5.236 1.00 63.23 C ATOM 93 O SER A 8 4.699 -12.419 -5.429 1.00 50.24 O ATOM 94 CB SER A 8 7.237 -11.199 -6.163 1.00 12.12 C ATOM 95 OG SER A 8 7.551 -12.550 -5.878 1.00 24.02 O ATOM 0 H SER A 8 6.752 -11.836 -3.496 1.00 4.40 H new ATOM 0 HA SER A 8 6.202 -9.559 -5.350 1.00 32.24 H new ATOM 0 HB2 SER A 8 6.801 -11.127 -7.159 1.00 12.12 H new ATOM 0 HB3 SER A 8 8.151 -10.605 -6.172 1.00 12.12 H new ATOM 0 HG SER A 8 6.733 -13.032 -5.634 1.00 24.02 H new ATOM 101 N TRP A 9 3.840 -10.362 -5.050 1.00 25.43 N ATOM 102 CA TRP A 9 2.425 -10.700 -5.093 1.00 34.42 C ATOM 103 C TRP A 9 1.697 -9.822 -6.116 1.00 62.43 C ATOM 104 O TRP A 9 2.182 -8.766 -6.529 1.00 40.42 O ATOM 105 CB TRP A 9 1.805 -10.515 -3.699 1.00 41.02 C ATOM 106 CG TRP A 9 2.101 -11.523 -2.631 1.00 22.41 C ATOM 107 CD1 TRP A 9 2.795 -12.679 -2.757 1.00 52.45 C ATOM 108 CD2 TRP A 9 1.689 -11.463 -1.233 1.00 32.12 C ATOM 109 NE1 TRP A 9 2.837 -13.340 -1.549 1.00 72.11 N ATOM 110 CE2 TRP A 9 2.192 -12.619 -0.569 1.00 73.20 C ATOM 111 CE3 TRP A 9 0.964 -10.537 -0.450 1.00 2.30 C ATOM 112 CZ2 TRP A 9 2.006 -12.833 0.799 1.00 32.22 C ATOM 113 CZ3 TRP A 9 0.784 -10.738 0.931 1.00 35.31 C ATOM 114 CH2 TRP A 9 1.310 -11.880 1.559 1.00 24.44 C ATOM 0 H TRP A 9 3.995 -9.373 -4.855 1.00 25.43 H new ATOM 0 HA TRP A 9 2.320 -11.742 -5.396 1.00 34.42 H new ATOM 0 HB2 TRP A 9 2.119 -9.540 -3.327 1.00 41.02 H new ATOM 0 HB3 TRP A 9 0.723 -10.476 -3.823 1.00 41.02 H new ATOM 0 HD1 TRP A 9 3.249 -13.031 -3.671 1.00 52.45 H new ATOM 0 HE1 TRP A 9 3.286 -14.244 -1.400 1.00 72.11 H new ATOM 0 HE3 TRP A 9 0.541 -9.661 -0.919 1.00 2.30 H new ATOM 0 HZ2 TRP A 9 2.395 -13.725 1.268 1.00 32.22 H new ATOM 0 HZ3 TRP A 9 0.238 -10.010 1.512 1.00 35.31 H new ATOM 0 HH2 TRP A 9 1.179 -12.024 2.621 1.00 24.44 H new ATOM 125 N ASN A 10 0.503 -10.280 -6.495 1.00 2.33 N ATOM 126 CA ASN A 10 -0.425 -9.639 -7.417 1.00 74.31 C ATOM 127 C ASN A 10 -1.312 -8.664 -6.635 1.00 3.14 C ATOM 128 O ASN A 10 -1.465 -8.847 -5.432 1.00 15.23 O ATOM 129 CB ASN A 10 -1.244 -10.794 -8.018 1.00 10.23 C ATOM 130 CG ASN A 10 -2.434 -10.387 -8.862 1.00 51.23 C ATOM 131 OD1 ASN A 10 -2.377 -9.435 -9.641 1.00 1.11 O ATOM 132 ND2 ASN A 10 -3.520 -11.125 -8.744 1.00 41.43 N ATOM 0 H ASN A 10 0.139 -11.165 -6.142 1.00 2.33 H new ATOM 0 HA ASN A 10 0.068 -9.062 -8.199 1.00 74.31 H new ATOM 0 HB2 ASN A 10 -0.581 -11.405 -8.630 1.00 10.23 H new ATOM 0 HB3 ASN A 10 -1.599 -11.425 -7.203 1.00 10.23 H new ATOM 0 HD21 ASN A 10 -4.344 -10.914 -9.307 1.00 41.43 H new ATOM 0 HD22 ASN A 10 -3.536 -11.907 -8.090 1.00 41.43 H new ATOM 139 N LEU A 11 -1.962 -7.694 -7.284 1.00 63.52 N ATOM 140 CA LEU A 11 -3.000 -6.846 -6.683 1.00 4.31 C ATOM 141 C LEU A 11 -4.057 -7.695 -5.984 1.00 15.13 C ATOM 142 O LEU A 11 -4.306 -7.494 -4.798 1.00 32.10 O ATOM 143 CB LEU A 11 -3.600 -5.962 -7.789 1.00 64.43 C ATOM 144 CG LEU A 11 -4.879 -5.191 -7.417 1.00 32.14 C ATOM 145 CD1 LEU A 11 -4.695 -4.290 -6.193 1.00 52.13 C ATOM 146 CD2 LEU A 11 -5.277 -4.346 -8.631 1.00 3.42 C ATOM 0 H LEU A 11 -1.779 -7.470 -8.262 1.00 63.52 H new ATOM 0 HA LEU A 11 -2.568 -6.205 -5.914 1.00 4.31 H new ATOM 0 HB2 LEU A 11 -2.844 -5.242 -8.102 1.00 64.43 H new ATOM 0 HB3 LEU A 11 -3.817 -6.591 -8.652 1.00 64.43 H new ATOM 0 HG LEU A 11 -5.656 -5.909 -7.153 1.00 32.14 H new ATOM 0 HD11 LEU A 11 -5.630 -3.772 -5.979 1.00 52.13 H new ATOM 0 HD12 LEU A 11 -4.411 -4.897 -5.333 1.00 52.13 H new ATOM 0 HD13 LEU A 11 -3.913 -3.558 -6.394 1.00 52.13 H new ATOM 0 HD21 LEU A 11 -6.183 -3.784 -8.402 1.00 3.42 H new ATOM 0 HD22 LEU A 11 -4.471 -3.653 -8.872 1.00 3.42 H new ATOM 0 HD23 LEU A 11 -5.461 -4.999 -9.484 1.00 3.42 H new ATOM 158 N ARG A 12 -4.675 -8.645 -6.691 1.00 4.22 N ATOM 159 CA ARG A 12 -5.724 -9.477 -6.106 1.00 15.31 C ATOM 160 C ARG A 12 -5.200 -10.361 -4.971 1.00 74.10 C ATOM 161 O ARG A 12 -5.980 -10.631 -4.060 1.00 60.32 O ATOM 162 CB ARG A 12 -6.414 -10.299 -7.217 1.00 53.41 C ATOM 163 CG ARG A 12 -7.773 -9.699 -7.579 1.00 53.45 C ATOM 164 CD ARG A 12 -8.279 -10.057 -8.985 1.00 15.20 C ATOM 165 NE ARG A 12 -8.609 -11.482 -9.162 1.00 54.03 N ATOM 166 CZ ARG A 12 -9.337 -11.993 -10.164 1.00 14.15 C ATOM 167 NH1 ARG A 12 -9.767 -11.226 -11.153 1.00 4.04 N ATOM 168 NH2 ARG A 12 -9.697 -13.269 -10.159 1.00 14.43 N ATOM 0 H ARG A 12 -4.466 -8.855 -7.667 1.00 4.22 H new ATOM 0 HA ARG A 12 -6.466 -8.823 -5.648 1.00 15.31 H new ATOM 0 HB2 ARG A 12 -5.778 -10.327 -8.102 1.00 53.41 H new ATOM 0 HB3 ARG A 12 -6.544 -11.329 -6.885 1.00 53.41 H new ATOM 0 HG2 ARG A 12 -8.509 -10.032 -6.847 1.00 53.45 H new ATOM 0 HG3 ARG A 12 -7.710 -8.614 -7.496 1.00 53.45 H new ATOM 0 HD2 ARG A 12 -9.165 -9.460 -9.203 1.00 15.20 H new ATOM 0 HD3 ARG A 12 -7.519 -9.778 -9.715 1.00 15.20 H new ATOM 0 HE ARG A 12 -8.253 -12.134 -8.463 1.00 54.03 H new ATOM 0 HH11 ARG A 12 -9.545 -10.230 -11.160 1.00 4.04 H new ATOM 0 HH12 ARG A 12 -10.320 -11.630 -11.909 1.00 4.04 H new ATOM 0 HH21 ARG A 12 -9.420 -13.874 -9.386 1.00 14.43 H new ATOM 0 HH22 ARG A 12 -10.251 -13.646 -10.928 1.00 14.43 H new ATOM 182 N GLU A 13 -3.918 -10.749 -4.995 1.00 32.51 N ATOM 183 CA GLU A 13 -3.262 -11.436 -3.880 1.00 2.31 C ATOM 184 C GLU A 13 -3.172 -10.505 -2.683 1.00 61.35 C ATOM 185 O GLU A 13 -3.759 -10.796 -1.646 1.00 13.21 O ATOM 186 CB GLU A 13 -1.838 -11.938 -4.193 1.00 52.21 C ATOM 187 CG GLU A 13 -1.755 -13.320 -4.828 1.00 4.42 C ATOM 188 CD GLU A 13 -2.568 -14.362 -4.066 1.00 1.11 C ATOM 189 OE1 GLU A 13 -2.283 -14.619 -2.879 1.00 4.10 O ATOM 190 OE2 GLU A 13 -3.472 -14.951 -4.700 1.00 52.51 O ATOM 0 H GLU A 13 -3.305 -10.593 -5.795 1.00 32.51 H new ATOM 0 HA GLU A 13 -3.880 -12.310 -3.676 1.00 2.31 H new ATOM 0 HB2 GLU A 13 -1.357 -11.222 -4.859 1.00 52.21 H new ATOM 0 HB3 GLU A 13 -1.263 -11.948 -3.267 1.00 52.21 H new ATOM 0 HG2 GLU A 13 -2.112 -13.266 -5.856 1.00 4.42 H new ATOM 0 HG3 GLU A 13 -0.713 -13.636 -4.869 1.00 4.42 H new ATOM 197 N MET A 14 -2.417 -9.409 -2.827 1.00 54.33 N ATOM 198 CA MET A 14 -2.115 -8.474 -1.752 1.00 13.31 C ATOM 199 C MET A 14 -3.407 -8.058 -1.073 1.00 51.31 C ATOM 200 O MET A 14 -3.479 -8.025 0.150 1.00 5.10 O ATOM 201 CB MET A 14 -1.413 -7.216 -2.289 1.00 75.44 C ATOM 202 CG MET A 14 -0.018 -7.429 -2.878 1.00 52.13 C ATOM 203 SD MET A 14 1.332 -7.181 -1.691 1.00 54.54 S ATOM 204 CE MET A 14 1.379 -5.371 -1.607 1.00 25.44 C ATOM 0 H MET A 14 -1.993 -9.147 -3.717 1.00 54.33 H new ATOM 0 HA MET A 14 -1.450 -8.971 -1.045 1.00 13.31 H new ATOM 0 HB2 MET A 14 -2.046 -6.770 -3.056 1.00 75.44 H new ATOM 0 HB3 MET A 14 -1.337 -6.492 -1.478 1.00 75.44 H new ATOM 0 HG2 MET A 14 0.045 -8.441 -3.278 1.00 52.13 H new ATOM 0 HG3 MET A 14 0.119 -6.746 -3.716 1.00 52.13 H new ATOM 0 HE1 MET A 14 2.196 -5.058 -0.957 1.00 25.44 H new ATOM 0 HE2 MET A 14 1.535 -4.964 -2.606 1.00 25.44 H new ATOM 0 HE3 MET A 14 0.435 -5.001 -1.208 1.00 25.44 H new ATOM 214 N LEU A 15 -4.423 -7.756 -1.881 1.00 3.22 N ATOM 215 CA LEU A 15 -5.716 -7.326 -1.415 1.00 42.20 C ATOM 216 C LEU A 15 -6.427 -8.415 -0.647 1.00 31.42 C ATOM 217 O LEU A 15 -6.886 -8.156 0.464 1.00 43.43 O ATOM 218 CB LEU A 15 -6.541 -6.852 -2.615 1.00 55.54 C ATOM 219 CG LEU A 15 -7.772 -6.046 -2.177 1.00 15.15 C ATOM 220 CD1 LEU A 15 -8.176 -5.056 -3.273 1.00 1.53 C ATOM 221 CD2 LEU A 15 -8.973 -6.864 -1.888 1.00 53.04 C ATOM 0 H LEU A 15 -4.356 -7.809 -2.897 1.00 3.22 H new ATOM 0 HA LEU A 15 -5.586 -6.499 -0.717 1.00 42.20 H new ATOM 0 HB2 LEU A 15 -5.917 -6.239 -3.265 1.00 55.54 H new ATOM 0 HB3 LEU A 15 -6.860 -7.714 -3.200 1.00 55.54 H new ATOM 0 HG LEU A 15 -7.460 -5.554 -1.256 1.00 15.15 H new ATOM 0 HD11 LEU A 15 -9.050 -4.491 -2.949 1.00 1.53 H new ATOM 0 HD12 LEU A 15 -7.351 -4.370 -3.465 1.00 1.53 H new ATOM 0 HD13 LEU A 15 -8.414 -5.601 -4.186 1.00 1.53 H new ATOM 0 HD21 LEU A 15 -9.793 -6.212 -1.586 1.00 53.04 H new ATOM 0 HD22 LEU A 15 -9.260 -7.418 -2.782 1.00 53.04 H new ATOM 0 HD23 LEU A 15 -8.751 -7.564 -1.083 1.00 53.04 H new ATOM 233 N ALA A 16 -6.608 -9.592 -1.246 1.00 30.13 N ATOM 234 CA ALA A 16 -7.441 -10.582 -0.596 1.00 64.52 C ATOM 235 C ALA A 16 -6.762 -11.082 0.681 1.00 2.54 C ATOM 236 O ALA A 16 -7.434 -11.370 1.674 1.00 33.34 O ATOM 237 CB ALA A 16 -7.708 -11.750 -1.546 1.00 62.11 C ATOM 0 H ALA A 16 -6.205 -9.869 -2.141 1.00 30.13 H new ATOM 0 HA ALA A 16 -8.393 -10.123 -0.330 1.00 64.52 H new ATOM 0 HB1 ALA A 16 -8.335 -12.489 -1.047 1.00 62.11 H new ATOM 0 HB2 ALA A 16 -8.217 -11.385 -2.438 1.00 62.11 H new ATOM 0 HB3 ALA A 16 -6.762 -12.211 -1.831 1.00 62.11 H new ATOM 243 N HIS A 17 -5.428 -11.148 0.657 1.00 12.23 N ATOM 244 CA HIS A 17 -4.603 -11.416 1.814 1.00 22.10 C ATOM 245 C HIS A 17 -4.830 -10.349 2.885 1.00 41.04 C ATOM 246 O HIS A 17 -4.949 -10.697 4.058 1.00 75.23 O ATOM 247 CB HIS A 17 -3.130 -11.463 1.388 1.00 44.32 C ATOM 248 CG HIS A 17 -2.234 -11.934 2.498 1.00 40.51 C ATOM 249 ND1 HIS A 17 -1.963 -13.246 2.802 1.00 32.52 N ATOM 250 CD2 HIS A 17 -1.596 -11.143 3.413 1.00 23.32 C ATOM 251 CE1 HIS A 17 -1.188 -13.253 3.899 1.00 43.52 C ATOM 252 NE2 HIS A 17 -0.925 -11.993 4.302 1.00 4.52 N ATOM 0 H HIS A 17 -4.887 -11.011 -0.197 1.00 12.23 H new ATOM 0 HA HIS A 17 -4.876 -12.381 2.241 1.00 22.10 H new ATOM 0 HB2 HIS A 17 -3.023 -12.127 0.530 1.00 44.32 H new ATOM 0 HB3 HIS A 17 -2.815 -10.471 1.065 1.00 44.32 H new ATOM 0 HD1 HIS A 17 -2.290 -14.065 2.289 1.00 32.52 H new ATOM 0 HD2 HIS A 17 -1.607 -10.064 3.445 1.00 23.32 H new ATOM 0 HE1 HIS A 17 -0.826 -14.144 4.390 1.00 43.52 H new ATOM 260 N ALA A 18 -4.888 -9.067 2.504 1.00 72.04 N ATOM 261 CA ALA A 18 -5.077 -7.937 3.398 1.00 21.34 C ATOM 262 C ALA A 18 -6.350 -8.159 4.197 1.00 2.22 C ATOM 263 O ALA A 18 -6.306 -8.201 5.424 1.00 3.20 O ATOM 264 CB ALA A 18 -5.138 -6.617 2.612 1.00 44.20 C ATOM 0 H ALA A 18 -4.801 -8.787 1.527 1.00 72.04 H new ATOM 0 HA ALA A 18 -4.229 -7.863 4.079 1.00 21.34 H new ATOM 0 HB1 ALA A 18 -5.280 -5.787 3.305 1.00 44.20 H new ATOM 0 HB2 ALA A 18 -4.206 -6.477 2.064 1.00 44.20 H new ATOM 0 HB3 ALA A 18 -5.971 -6.650 1.910 1.00 44.20 H new ATOM 270 N GLU A 19 -7.463 -8.348 3.490 1.00 72.44 N ATOM 271 CA GLU A 19 -8.780 -8.514 4.021 1.00 24.25 C ATOM 272 C GLU A 19 -8.879 -9.741 4.933 1.00 74.50 C ATOM 273 O GLU A 19 -9.547 -9.698 5.962 1.00 32.35 O ATOM 274 CB GLU A 19 -9.725 -8.563 2.800 1.00 42.44 C ATOM 275 CG GLU A 19 -11.053 -7.892 3.115 1.00 71.24 C ATOM 276 CD GLU A 19 -12.284 -8.667 2.634 1.00 54.31 C ATOM 277 OE1 GLU A 19 -12.649 -9.710 3.227 1.00 31.23 O ATOM 278 OE2 GLU A 19 -12.897 -8.237 1.628 1.00 13.14 O ATOM 0 H GLU A 19 -7.449 -8.389 2.471 1.00 72.44 H new ATOM 0 HA GLU A 19 -9.062 -7.688 4.674 1.00 24.25 H new ATOM 0 HB2 GLU A 19 -9.255 -8.067 1.951 1.00 42.44 H new ATOM 0 HB3 GLU A 19 -9.896 -9.599 2.509 1.00 42.44 H new ATOM 0 HG2 GLU A 19 -11.127 -7.749 4.193 1.00 71.24 H new ATOM 0 HG3 GLU A 19 -11.062 -6.901 2.661 1.00 71.24 H new ATOM 285 N GLU A 20 -8.172 -10.828 4.615 1.00 21.41 N ATOM 286 CA GLU A 20 -8.190 -12.015 5.462 1.00 51.42 C ATOM 287 C GLU A 20 -7.350 -11.821 6.733 1.00 64.13 C ATOM 288 O GLU A 20 -7.651 -12.362 7.804 1.00 62.14 O ATOM 289 CB GLU A 20 -7.687 -13.218 4.651 1.00 44.53 C ATOM 290 CG GLU A 20 -8.015 -14.549 5.334 1.00 15.24 C ATOM 291 CD GLU A 20 -9.526 -14.822 5.304 1.00 23.13 C ATOM 292 OE1 GLU A 20 -10.273 -14.268 6.142 1.00 24.30 O ATOM 293 OE2 GLU A 20 -9.988 -15.601 4.435 1.00 31.15 O ATOM 0 H GLU A 20 -7.586 -10.908 3.784 1.00 21.41 H new ATOM 0 HA GLU A 20 -9.215 -12.196 5.787 1.00 51.42 H new ATOM 0 HB2 GLU A 20 -8.137 -13.200 3.658 1.00 44.53 H new ATOM 0 HB3 GLU A 20 -6.609 -13.137 4.514 1.00 44.53 H new ATOM 0 HG2 GLU A 20 -7.485 -15.359 4.834 1.00 15.24 H new ATOM 0 HG3 GLU A 20 -7.665 -14.529 6.366 1.00 15.24 H new ATOM 300 N THR A 21 -6.265 -11.057 6.634 1.00 61.42 N ATOM 301 CA THR A 21 -5.319 -10.868 7.726 1.00 24.53 C ATOM 302 C THR A 21 -5.603 -9.580 8.501 1.00 61.23 C ATOM 303 O THR A 21 -4.907 -9.289 9.473 1.00 62.43 O ATOM 304 CB THR A 21 -3.876 -11.039 7.217 1.00 3.03 C ATOM 305 OG1 THR A 21 -3.552 -10.137 6.184 1.00 5.42 O ATOM 306 CG2 THR A 21 -3.653 -12.469 6.697 1.00 50.04 C ATOM 0 H THR A 21 -6.017 -10.548 5.785 1.00 61.42 H new ATOM 0 HA THR A 21 -5.452 -11.651 8.473 1.00 24.53 H new ATOM 0 HB THR A 21 -3.229 -10.833 8.070 1.00 3.03 H new ATOM 0 HG1 THR A 21 -4.005 -10.408 5.359 1.00 5.42 H new ATOM 0 HG21 THR A 21 -2.628 -12.571 6.341 1.00 50.04 H new ATOM 0 HG22 THR A 21 -3.830 -13.181 7.503 1.00 50.04 H new ATOM 0 HG23 THR A 21 -4.343 -12.670 5.877 1.00 50.04 H new ATOM 314 N ARG A 22 -6.655 -8.834 8.136 1.00 2.41 N ATOM 315 CA ARG A 22 -6.987 -7.519 8.683 1.00 23.12 C ATOM 316 C ARG A 22 -5.737 -6.624 8.671 1.00 22.33 C ATOM 317 O ARG A 22 -5.445 -5.930 9.649 1.00 35.31 O ATOM 318 CB ARG A 22 -7.666 -7.663 10.062 1.00 13.45 C ATOM 319 CG ARG A 22 -9.164 -7.989 9.976 1.00 54.32 C ATOM 320 CD ARG A 22 -9.523 -9.347 9.349 1.00 4.15 C ATOM 321 NE ARG A 22 -9.051 -10.509 10.123 1.00 53.42 N ATOM 322 CZ ARG A 22 -9.477 -10.870 11.341 1.00 72.51 C ATOM 323 NH1 ARG A 22 -10.465 -10.229 11.960 1.00 4.34 N ATOM 324 NH2 ARG A 22 -8.908 -11.892 11.973 1.00 43.44 N ATOM 0 H ARG A 22 -7.319 -9.144 7.427 1.00 2.41 H new ATOM 0 HA ARG A 22 -7.723 -7.016 8.056 1.00 23.12 H new ATOM 0 HB2 ARG A 22 -7.163 -8.449 10.626 1.00 13.45 H new ATOM 0 HB3 ARG A 22 -7.535 -6.736 10.621 1.00 13.45 H new ATOM 0 HG2 ARG A 22 -9.582 -7.954 10.982 1.00 54.32 H new ATOM 0 HG3 ARG A 22 -9.654 -7.204 9.400 1.00 54.32 H new ATOM 0 HD2 ARG A 22 -10.606 -9.411 9.241 1.00 4.15 H new ATOM 0 HD3 ARG A 22 -9.100 -9.396 8.346 1.00 4.15 H new ATOM 0 HE ARG A 22 -8.334 -11.092 9.692 1.00 53.42 H new ATOM 0 HH11 ARG A 22 -10.922 -9.437 11.507 1.00 4.34 H new ATOM 0 HH12 ARG A 22 -10.766 -10.529 12.887 1.00 4.34 H new ATOM 0 HH21 ARG A 22 -8.145 -12.404 11.531 1.00 43.44 H new ATOM 0 HH22 ARG A 22 -9.235 -12.164 12.900 1.00 43.44 H new ATOM 338 N LYS A 23 -4.925 -6.697 7.612 1.00 23.01 N ATOM 339 CA LYS A 23 -3.795 -5.792 7.403 1.00 52.31 C ATOM 340 C LYS A 23 -4.361 -4.604 6.642 1.00 5.23 C ATOM 341 O LYS A 23 -4.961 -4.818 5.596 1.00 23.23 O ATOM 342 CB LYS A 23 -2.682 -6.461 6.589 1.00 73.04 C ATOM 343 CG LYS A 23 -1.946 -7.516 7.417 1.00 75.10 C ATOM 344 CD LYS A 23 -0.948 -8.307 6.562 1.00 41.41 C ATOM 345 CE LYS A 23 -0.498 -9.514 7.385 1.00 0.13 C ATOM 346 NZ LYS A 23 0.117 -10.586 6.569 1.00 52.41 N ATOM 0 H LYS A 23 -5.035 -7.391 6.872 1.00 23.01 H new ATOM 0 HA LYS A 23 -3.348 -5.499 8.353 1.00 52.31 H new ATOM 0 HB2 LYS A 23 -3.108 -6.926 5.700 1.00 73.04 H new ATOM 0 HB3 LYS A 23 -1.975 -5.706 6.247 1.00 73.04 H new ATOM 0 HG2 LYS A 23 -1.419 -7.032 8.239 1.00 75.10 H new ATOM 0 HG3 LYS A 23 -2.669 -8.201 7.861 1.00 75.10 H new ATOM 0 HD2 LYS A 23 -1.412 -8.629 5.630 1.00 41.41 H new ATOM 0 HD3 LYS A 23 -0.094 -7.685 6.294 1.00 41.41 H new ATOM 0 HE2 LYS A 23 0.218 -9.184 8.138 1.00 0.13 H new ATOM 0 HE3 LYS A 23 -1.357 -9.921 7.919 1.00 0.13 H new ATOM 0 HZ1 LYS A 23 0.322 -11.408 7.173 1.00 52.41 H new ATOM 0 HZ2 LYS A 23 -0.540 -10.867 5.813 1.00 52.41 H new ATOM 0 HZ3 LYS A 23 1.001 -10.237 6.147 1.00 52.41 H new ATOM 360 N LEU A 24 -4.184 -3.384 7.146 1.00 34.40 N ATOM 361 CA LEU A 24 -4.685 -2.174 6.498 1.00 22.45 C ATOM 362 C LEU A 24 -4.121 -2.112 5.080 1.00 50.22 C ATOM 363 O LEU A 24 -2.942 -2.429 4.886 1.00 73.15 O ATOM 364 CB LEU A 24 -4.205 -0.955 7.297 1.00 21.12 C ATOM 365 CG LEU A 24 -4.871 0.373 6.873 1.00 14.14 C ATOM 366 CD1 LEU A 24 -5.838 0.827 7.963 1.00 21.55 C ATOM 367 CD2 LEU A 24 -3.874 1.522 6.709 1.00 15.12 C ATOM 0 H LEU A 24 -3.687 -3.207 8.019 1.00 34.40 H new ATOM 0 HA LEU A 24 -5.774 -2.181 6.460 1.00 22.45 H new ATOM 0 HB2 LEU A 24 -4.401 -1.127 8.355 1.00 21.12 H new ATOM 0 HB3 LEU A 24 -3.125 -0.861 7.184 1.00 21.12 H new ATOM 0 HG LEU A 24 -5.357 0.169 5.919 1.00 14.14 H new ATOM 0 HD11 LEU A 24 -6.308 1.764 7.665 1.00 21.55 H new ATOM 0 HD12 LEU A 24 -6.605 0.066 8.109 1.00 21.55 H new ATOM 0 HD13 LEU A 24 -5.292 0.975 8.895 1.00 21.55 H new ATOM 0 HD21 LEU A 24 -4.406 2.425 6.410 1.00 15.12 H new ATOM 0 HD22 LEU A 24 -3.363 1.698 7.655 1.00 15.12 H new ATOM 0 HD23 LEU A 24 -3.142 1.262 5.944 1.00 15.12 H new ATOM 379 N MET A 25 -4.905 -1.642 4.109 1.00 65.30 N ATOM 380 CA MET A 25 -4.424 -1.489 2.742 1.00 74.00 C ATOM 381 C MET A 25 -4.432 -0.010 2.333 1.00 42.23 C ATOM 382 O MET A 25 -5.439 0.470 1.807 1.00 35.35 O ATOM 383 CB MET A 25 -5.136 -2.443 1.760 1.00 21.33 C ATOM 384 CG MET A 25 -4.212 -2.658 0.550 1.00 52.11 C ATOM 385 SD MET A 25 -4.842 -2.431 -1.129 1.00 72.22 S ATOM 386 CE MET A 25 -5.257 -4.114 -1.594 1.00 35.23 C ATOM 0 H MET A 25 -5.876 -1.361 4.247 1.00 65.30 H new ATOM 0 HA MET A 25 -3.381 -1.804 2.696 1.00 74.00 H new ATOM 0 HB2 MET A 25 -5.356 -3.394 2.245 1.00 21.33 H new ATOM 0 HB3 MET A 25 -6.089 -2.020 1.441 1.00 21.33 H new ATOM 0 HG2 MET A 25 -3.362 -1.986 0.669 1.00 52.11 H new ATOM 0 HG3 MET A 25 -3.826 -3.675 0.615 1.00 52.11 H new ATOM 0 HE1 MET A 25 -5.505 -4.148 -2.655 1.00 35.23 H new ATOM 0 HE2 MET A 25 -4.405 -4.766 -1.400 1.00 35.23 H new ATOM 0 HE3 MET A 25 -6.113 -4.452 -1.010 1.00 35.23 H new ATOM 396 N PRO A 26 -3.369 0.767 2.629 1.00 65.24 N ATOM 397 CA PRO A 26 -3.267 2.128 2.104 1.00 4.33 C ATOM 398 C PRO A 26 -3.157 2.122 0.562 1.00 54.52 C ATOM 399 O PRO A 26 -2.452 1.271 0.018 1.00 12.14 O ATOM 400 CB PRO A 26 -2.053 2.756 2.803 1.00 72.32 C ATOM 401 CG PRO A 26 -1.255 1.602 3.408 1.00 24.35 C ATOM 402 CD PRO A 26 -2.172 0.382 3.377 1.00 3.43 C ATOM 0 HA PRO A 26 -4.159 2.720 2.310 1.00 4.33 H new ATOM 0 HB2 PRO A 26 -1.445 3.318 2.094 1.00 72.32 H new ATOM 0 HB3 PRO A 26 -2.370 3.456 3.576 1.00 72.32 H new ATOM 0 HG2 PRO A 26 -0.345 1.418 2.838 1.00 24.35 H new ATOM 0 HG3 PRO A 26 -0.950 1.833 4.429 1.00 24.35 H new ATOM 0 HD2 PRO A 26 -1.674 -0.463 2.901 1.00 3.43 H new ATOM 0 HD3 PRO A 26 -2.433 0.069 4.388 1.00 3.43 H new ATOM 410 N ILE A 27 -3.829 3.038 -0.154 1.00 4.33 N ATOM 411 CA ILE A 27 -3.857 3.124 -1.624 1.00 1.11 C ATOM 412 C ILE A 27 -3.762 4.604 -2.037 1.00 31.01 C ATOM 413 O ILE A 27 -4.501 5.435 -1.510 1.00 34.25 O ATOM 414 CB ILE A 27 -5.164 2.496 -2.168 1.00 75.43 C ATOM 415 CG1 ILE A 27 -5.247 0.985 -1.861 1.00 3.13 C ATOM 416 CG2 ILE A 27 -5.309 2.723 -3.692 1.00 42.10 C ATOM 417 CD1 ILE A 27 -6.661 0.431 -2.026 1.00 52.32 C ATOM 0 H ILE A 27 -4.388 3.766 0.291 1.00 4.33 H new ATOM 0 HA ILE A 27 -3.014 2.574 -2.042 1.00 1.11 H new ATOM 0 HB ILE A 27 -5.985 2.998 -1.656 1.00 75.43 H new ATOM 0 HG12 ILE A 27 -4.569 0.445 -2.523 1.00 3.13 H new ATOM 0 HG13 ILE A 27 -4.907 0.806 -0.841 1.00 3.13 H new ATOM 0 HG21 ILE A 27 -6.237 2.270 -4.041 1.00 42.10 H new ATOM 0 HG22 ILE A 27 -5.327 3.793 -3.900 1.00 42.10 H new ATOM 0 HG23 ILE A 27 -4.465 2.267 -4.210 1.00 42.10 H new ATOM 0 HD11 ILE A 27 -6.663 -0.635 -1.798 1.00 52.32 H new ATOM 0 HD12 ILE A 27 -7.336 0.949 -1.345 1.00 52.32 H new ATOM 0 HD13 ILE A 27 -6.994 0.583 -3.053 1.00 52.32 H new ATOM 429 N CYS A 28 -2.933 4.934 -3.034 1.00 24.32 N ATOM 430 CA CYS A 28 -2.838 6.263 -3.640 1.00 74.42 C ATOM 431 C CYS A 28 -3.932 6.444 -4.707 1.00 20.30 C ATOM 432 O CYS A 28 -4.125 5.570 -5.553 1.00 53.54 O ATOM 433 CB CYS A 28 -1.427 6.493 -4.228 1.00 55.42 C ATOM 434 SG CYS A 28 -0.541 4.958 -4.664 1.00 1.23 S ATOM 0 H CYS A 28 -2.291 4.261 -3.453 1.00 24.32 H new ATOM 0 HA CYS A 28 -2.998 7.015 -2.867 1.00 74.42 H new ATOM 0 HB2 CYS A 28 -1.513 7.115 -5.119 1.00 55.42 H new ATOM 0 HB3 CYS A 28 -0.831 7.051 -3.506 1.00 55.42 H new ATOM 0 HG CYS A 28 -1.393 4.069 -5.081 1.00 1.23 H new ATOM 440 N MET A 29 -4.621 7.593 -4.700 1.00 64.41 N ATOM 441 CA MET A 29 -5.859 7.832 -5.461 1.00 60.12 C ATOM 442 C MET A 29 -5.612 7.940 -6.969 1.00 44.24 C ATOM 443 O MET A 29 -6.561 7.996 -7.756 1.00 34.02 O ATOM 444 CB MET A 29 -6.555 9.112 -4.943 1.00 53.25 C ATOM 445 CG MET A 29 -8.059 9.173 -5.243 1.00 20.23 C ATOM 446 SD MET A 29 -8.944 10.545 -4.437 1.00 4.53 S ATOM 447 CE MET A 29 -8.978 9.995 -2.704 1.00 43.33 C ATOM 0 H MET A 29 -4.328 8.402 -4.153 1.00 64.41 H new ATOM 0 HA MET A 29 -6.506 6.969 -5.305 1.00 60.12 H new ATOM 0 HB2 MET A 29 -6.407 9.182 -3.865 1.00 53.25 H new ATOM 0 HB3 MET A 29 -6.071 9.981 -5.388 1.00 53.25 H new ATOM 0 HG2 MET A 29 -8.197 9.254 -6.321 1.00 20.23 H new ATOM 0 HG3 MET A 29 -8.515 8.233 -4.933 1.00 20.23 H new ATOM 0 HE1 MET A 29 -9.443 10.764 -2.087 1.00 43.33 H new ATOM 0 HE2 MET A 29 -9.552 9.071 -2.627 1.00 43.33 H new ATOM 0 HE3 MET A 29 -7.959 9.820 -2.358 1.00 43.33 H new ATOM 457 N ASP A 30 -4.346 8.019 -7.383 1.00 12.33 N ATOM 458 CA ASP A 30 -3.975 8.152 -8.788 1.00 74.21 C ATOM 459 C ASP A 30 -4.157 6.830 -9.512 1.00 22.41 C ATOM 460 O ASP A 30 -4.516 6.805 -10.690 1.00 62.42 O ATOM 461 CB ASP A 30 -2.528 8.645 -8.927 1.00 22.13 C ATOM 462 CG ASP A 30 -2.331 9.663 -10.061 1.00 12.33 C ATOM 463 OD1 ASP A 30 -3.082 9.652 -11.067 1.00 54.22 O ATOM 464 OD2 ASP A 30 -1.530 10.600 -9.869 1.00 13.21 O ATOM 0 H ASP A 30 -3.548 7.992 -6.748 1.00 12.33 H new ATOM 0 HA ASP A 30 -4.632 8.892 -9.245 1.00 74.21 H new ATOM 0 HB2 ASP A 30 -2.215 9.097 -7.986 1.00 22.13 H new ATOM 0 HB3 ASP A 30 -1.876 7.789 -9.101 1.00 22.13 H new ATOM 469 N VAL A 31 -3.913 5.723 -8.807 1.00 23.52 N ATOM 470 CA VAL A 31 -3.614 4.462 -9.450 1.00 32.41 C ATOM 471 C VAL A 31 -4.926 3.744 -9.757 1.00 15.05 C ATOM 472 O VAL A 31 -5.410 2.905 -8.987 1.00 40.34 O ATOM 473 CB VAL A 31 -2.601 3.637 -8.622 1.00 71.13 C ATOM 474 CG1 VAL A 31 -1.905 2.614 -9.525 1.00 61.40 C ATOM 475 CG2 VAL A 31 -1.498 4.504 -7.996 1.00 32.33 C ATOM 0 H VAL A 31 -3.919 5.685 -7.788 1.00 23.52 H new ATOM 0 HA VAL A 31 -3.111 4.624 -10.403 1.00 32.41 H new ATOM 0 HB VAL A 31 -3.174 3.161 -7.827 1.00 71.13 H new ATOM 0 HG11 VAL A 31 -1.192 2.035 -8.937 1.00 61.40 H new ATOM 0 HG12 VAL A 31 -2.649 1.944 -9.956 1.00 61.40 H new ATOM 0 HG13 VAL A 31 -1.378 3.134 -10.325 1.00 61.40 H new ATOM 0 HG21 VAL A 31 -0.817 3.871 -7.427 1.00 32.33 H new ATOM 0 HG22 VAL A 31 -0.945 5.015 -8.784 1.00 32.33 H new ATOM 0 HG23 VAL A 31 -1.948 5.242 -7.332 1.00 32.33 H new ATOM 485 N ARG A 32 -5.520 4.096 -10.900 1.00 64.54 N ATOM 486 CA ARG A 32 -6.770 3.533 -11.387 1.00 15.32 C ATOM 487 C ARG A 32 -6.722 2.009 -11.411 1.00 22.12 C ATOM 488 O ARG A 32 -7.751 1.396 -11.160 1.00 2.12 O ATOM 489 CB ARG A 32 -7.084 4.083 -12.792 1.00 0.04 C ATOM 490 CG ARG A 32 -8.222 5.113 -12.843 1.00 3.34 C ATOM 491 CD ARG A 32 -7.851 6.492 -12.273 1.00 51.34 C ATOM 492 NE ARG A 32 -8.561 7.575 -12.983 1.00 21.34 N ATOM 493 CZ ARG A 32 -9.806 8.027 -12.796 1.00 74.34 C ATOM 494 NH1 ARG A 32 -10.548 7.593 -11.789 1.00 54.11 N ATOM 495 NH2 ARG A 32 -10.309 8.908 -13.652 1.00 72.50 N ATOM 0 H ARG A 32 -5.129 4.801 -11.526 1.00 64.54 H new ATOM 0 HA ARG A 32 -7.564 3.829 -10.702 1.00 15.32 H new ATOM 0 HB2 ARG A 32 -6.181 4.540 -13.198 1.00 0.04 H new ATOM 0 HB3 ARG A 32 -7.339 3.248 -13.445 1.00 0.04 H new ATOM 0 HG2 ARG A 32 -8.541 5.234 -13.878 1.00 3.34 H new ATOM 0 HG3 ARG A 32 -9.076 4.722 -12.290 1.00 3.34 H new ATOM 0 HD2 ARG A 32 -8.097 6.527 -11.212 1.00 51.34 H new ATOM 0 HD3 ARG A 32 -6.775 6.644 -12.356 1.00 51.34 H new ATOM 0 HE ARG A 32 -8.029 8.043 -13.717 1.00 21.34 H new ATOM 0 HH11 ARG A 32 -10.172 6.902 -11.139 1.00 54.11 H new ATOM 0 HH12 ARG A 32 -11.495 7.950 -11.663 1.00 54.11 H new ATOM 0 HH21 ARG A 32 -9.748 9.232 -14.440 1.00 72.50 H new ATOM 0 HH22 ARG A 32 -11.257 9.261 -13.522 1.00 72.50 H new ATOM 509 N ALA A 33 -5.567 1.385 -11.661 1.00 5.42 N ATOM 510 CA ALA A 33 -5.456 -0.069 -11.683 1.00 14.14 C ATOM 511 C ALA A 33 -5.860 -0.696 -10.343 1.00 12.33 C ATOM 512 O ALA A 33 -6.593 -1.688 -10.310 1.00 54.43 O ATOM 513 CB ALA A 33 -4.023 -0.461 -12.039 1.00 75.22 C ATOM 0 H ALA A 33 -4.692 1.872 -11.852 1.00 5.42 H new ATOM 0 HA ALA A 33 -6.144 -0.450 -12.437 1.00 14.14 H new ATOM 0 HB1 ALA A 33 -3.937 -1.547 -12.056 1.00 75.22 H new ATOM 0 HB2 ALA A 33 -3.770 -0.061 -13.021 1.00 75.22 H new ATOM 0 HB3 ALA A 33 -3.339 -0.054 -11.294 1.00 75.22 H new ATOM 519 N ILE A 34 -5.379 -0.121 -9.238 1.00 43.23 N ATOM 520 CA ILE A 34 -5.651 -0.583 -7.879 1.00 12.51 C ATOM 521 C ILE A 34 -7.108 -0.270 -7.580 1.00 73.32 C ATOM 522 O ILE A 34 -7.886 -1.161 -7.228 1.00 72.44 O ATOM 523 CB ILE A 34 -4.678 0.079 -6.871 1.00 5.43 C ATOM 524 CG1 ILE A 34 -3.217 0.036 -7.359 1.00 5.14 C ATOM 525 CG2 ILE A 34 -4.777 -0.545 -5.471 1.00 61.12 C ATOM 526 CD1 ILE A 34 -2.684 -1.343 -7.752 1.00 65.52 C ATOM 0 H ILE A 34 -4.774 0.700 -9.267 1.00 43.23 H new ATOM 0 HA ILE A 34 -5.488 -1.657 -7.785 1.00 12.51 H new ATOM 0 HB ILE A 34 -4.988 1.122 -6.804 1.00 5.43 H new ATOM 0 HG12 ILE A 34 -3.122 0.699 -8.219 1.00 5.14 H new ATOM 0 HG13 ILE A 34 -2.580 0.440 -6.572 1.00 5.14 H new ATOM 0 HG21 ILE A 34 -4.076 -0.048 -4.801 1.00 61.12 H new ATOM 0 HG22 ILE A 34 -5.791 -0.425 -5.090 1.00 61.12 H new ATOM 0 HG23 ILE A 34 -4.534 -1.606 -5.528 1.00 61.12 H new ATOM 0 HD11 ILE A 34 -1.648 -1.253 -8.079 1.00 65.52 H new ATOM 0 HD12 ILE A 34 -2.737 -2.012 -6.893 1.00 65.52 H new ATOM 0 HD13 ILE A 34 -3.287 -1.748 -8.565 1.00 65.52 H new ATOM 538 N MET A 35 -7.480 0.993 -7.799 1.00 73.02 N ATOM 539 CA MET A 35 -8.822 1.515 -7.611 1.00 44.21 C ATOM 540 C MET A 35 -9.867 0.616 -8.286 1.00 11.21 C ATOM 541 O MET A 35 -10.908 0.323 -7.692 1.00 5.32 O ATOM 542 CB MET A 35 -8.842 2.951 -8.157 1.00 34.31 C ATOM 543 CG MET A 35 -10.028 3.752 -7.625 1.00 25.41 C ATOM 544 SD MET A 35 -9.618 5.353 -6.879 1.00 32.10 S ATOM 545 CE MET A 35 -8.657 4.822 -5.430 1.00 74.33 C ATOM 0 H MET A 35 -6.824 1.703 -8.125 1.00 73.02 H new ATOM 0 HA MET A 35 -9.085 1.527 -6.553 1.00 44.21 H new ATOM 0 HB2 MET A 35 -7.914 3.454 -7.885 1.00 34.31 H new ATOM 0 HB3 MET A 35 -8.883 2.924 -9.246 1.00 34.31 H new ATOM 0 HG2 MET A 35 -10.727 3.921 -8.444 1.00 25.41 H new ATOM 0 HG3 MET A 35 -10.548 3.147 -6.882 1.00 25.41 H new ATOM 0 HE1 MET A 35 -8.469 5.679 -4.784 1.00 74.33 H new ATOM 0 HE2 MET A 35 -9.218 4.067 -4.878 1.00 74.33 H new ATOM 0 HE3 MET A 35 -7.707 4.400 -5.758 1.00 74.33 H new ATOM 555 N ALA A 36 -9.562 0.116 -9.487 1.00 13.52 N ATOM 556 CA ALA A 36 -10.434 -0.728 -10.279 1.00 5.42 C ATOM 557 C ALA A 36 -10.667 -2.097 -9.648 1.00 45.12 C ATOM 558 O ALA A 36 -11.742 -2.652 -9.855 1.00 34.23 O ATOM 559 CB ALA A 36 -9.845 -0.917 -11.681 1.00 43.11 C ATOM 0 H ALA A 36 -8.668 0.300 -9.942 1.00 13.52 H new ATOM 0 HA ALA A 36 -11.398 -0.221 -10.331 1.00 5.42 H new ATOM 0 HB1 ALA A 36 -10.506 -1.552 -12.271 1.00 43.11 H new ATOM 0 HB2 ALA A 36 -9.745 0.053 -12.168 1.00 43.11 H new ATOM 0 HB3 ALA A 36 -8.864 -1.386 -11.603 1.00 43.11 H new ATOM 565 N THR A 37 -9.722 -2.694 -8.913 1.00 52.44 N ATOM 566 CA THR A 37 -10.054 -3.900 -8.157 1.00 75.10 C ATOM 567 C THR A 37 -10.977 -3.545 -7.004 1.00 22.40 C ATOM 568 O THR A 37 -11.961 -4.263 -6.820 1.00 44.53 O ATOM 569 CB THR A 37 -8.812 -4.688 -7.711 1.00 72.25 C ATOM 570 OG1 THR A 37 -8.314 -5.351 -8.860 1.00 53.42 O ATOM 571 CG2 THR A 37 -9.110 -5.766 -6.655 1.00 71.32 C ATOM 0 H THR A 37 -8.757 -2.375 -8.828 1.00 52.44 H new ATOM 0 HA THR A 37 -10.587 -4.581 -8.820 1.00 75.10 H new ATOM 0 HB THR A 37 -8.112 -3.982 -7.265 1.00 72.25 H new ATOM 0 HG1 THR A 37 -7.516 -5.867 -8.620 1.00 53.42 H new ATOM 0 HG21 THR A 37 -8.186 -6.280 -6.389 1.00 71.32 H new ATOM 0 HG22 THR A 37 -9.533 -5.298 -5.766 1.00 71.32 H new ATOM 0 HG23 THR A 37 -9.822 -6.485 -7.060 1.00 71.32 H new ATOM 579 N ILE A 38 -10.711 -2.463 -6.261 1.00 42.54 N ATOM 580 CA ILE A 38 -11.554 -2.119 -5.127 1.00 10.23 C ATOM 581 C ILE A 38 -12.976 -1.917 -5.649 1.00 71.24 C ATOM 582 O ILE A 38 -13.867 -2.630 -5.209 1.00 22.10 O ATOM 583 CB ILE A 38 -11.000 -0.934 -4.295 1.00 24.35 C ATOM 584 CG1 ILE A 38 -9.797 -1.351 -3.414 1.00 22.32 C ATOM 585 CG2 ILE A 38 -12.072 -0.378 -3.338 1.00 61.11 C ATOM 586 CD1 ILE A 38 -8.493 -1.599 -4.174 1.00 60.35 C ATOM 0 H ILE A 38 -9.932 -1.826 -6.426 1.00 42.54 H new ATOM 0 HA ILE A 38 -11.562 -2.935 -4.404 1.00 10.23 H new ATOM 0 HB ILE A 38 -10.692 -0.184 -5.023 1.00 24.35 H new ATOM 0 HG12 ILE A 38 -9.624 -0.573 -2.670 1.00 22.32 H new ATOM 0 HG13 ILE A 38 -10.061 -2.258 -2.871 1.00 22.32 H new ATOM 0 HG21 ILE A 38 -11.655 0.452 -2.767 1.00 61.11 H new ATOM 0 HG22 ILE A 38 -12.928 -0.028 -3.915 1.00 61.11 H new ATOM 0 HG23 ILE A 38 -12.392 -1.164 -2.654 1.00 61.11 H new ATOM 0 HD11 ILE A 38 -7.711 -1.886 -3.471 1.00 60.35 H new ATOM 0 HD12 ILE A 38 -8.641 -2.400 -4.899 1.00 60.35 H new ATOM 0 HD13 ILE A 38 -8.197 -0.689 -4.695 1.00 60.35 H new ATOM 598 N GLN A 39 -13.195 -1.024 -6.617 1.00 3.32 N ATOM 599 CA GLN A 39 -14.545 -0.695 -7.067 1.00 11.35 C ATOM 600 C GLN A 39 -15.228 -1.876 -7.786 1.00 70.21 C ATOM 601 O GLN A 39 -16.454 -1.905 -7.894 1.00 40.34 O ATOM 602 CB GLN A 39 -14.524 0.561 -7.949 1.00 42.14 C ATOM 603 CG GLN A 39 -14.283 1.806 -7.081 1.00 32.21 C ATOM 604 CD GLN A 39 -14.342 3.097 -7.892 1.00 3.30 C ATOM 605 OE1 GLN A 39 -13.294 3.894 -7.851 1.00 2.21 O flip ATOM 606 NE2 GLN A 39 -15.301 3.387 -8.599 1.00 1.01 N flip ATOM 0 H GLN A 39 -12.454 -0.518 -7.102 1.00 3.32 H new ATOM 0 HA GLN A 39 -15.144 -0.486 -6.181 1.00 11.35 H new ATOM 0 HB2 GLN A 39 -13.740 0.474 -8.701 1.00 42.14 H new ATOM 0 HB3 GLN A 39 -15.469 0.657 -8.483 1.00 42.14 H new ATOM 0 HG2 GLN A 39 -15.030 1.843 -6.288 1.00 32.21 H new ATOM 0 HG3 GLN A 39 -13.309 1.727 -6.598 1.00 32.21 H new ATOM 0 HE21 GLN A 39 -16.114 2.772 -8.633 1.00 1.01 H new ATOM 0 HE22 GLN A 39 -15.286 4.243 -9.153 1.00 1.01 H new ATOM 615 N ARG A 40 -14.477 -2.859 -8.304 1.00 74.53 N ATOM 616 CA ARG A 40 -15.053 -4.093 -8.844 1.00 21.22 C ATOM 617 C ARG A 40 -15.504 -5.030 -7.733 1.00 3.33 C ATOM 618 O ARG A 40 -16.623 -5.532 -7.801 1.00 53.15 O ATOM 619 CB ARG A 40 -14.058 -4.820 -9.764 1.00 4.12 C ATOM 620 CG ARG A 40 -14.094 -4.226 -11.178 1.00 63.50 C ATOM 621 CD ARG A 40 -13.234 -5.025 -12.164 1.00 23.44 C ATOM 622 NE ARG A 40 -11.792 -4.870 -11.899 1.00 21.44 N ATOM 623 CZ ARG A 40 -10.815 -5.558 -12.511 1.00 2.20 C ATOM 624 NH1 ARG A 40 -11.108 -6.514 -13.393 1.00 62.14 N ATOM 625 NH2 ARG A 40 -9.538 -5.299 -12.247 1.00 34.32 N ATOM 0 H ARG A 40 -13.459 -2.819 -8.359 1.00 74.53 H new ATOM 0 HA ARG A 40 -15.925 -3.804 -9.431 1.00 21.22 H new ATOM 0 HB2 ARG A 40 -13.051 -4.738 -9.355 1.00 4.12 H new ATOM 0 HB3 ARG A 40 -14.301 -5.882 -9.804 1.00 4.12 H new ATOM 0 HG2 ARG A 40 -15.124 -4.202 -11.534 1.00 63.50 H new ATOM 0 HG3 ARG A 40 -13.743 -3.194 -11.146 1.00 63.50 H new ATOM 0 HD2 ARG A 40 -13.501 -6.080 -12.104 1.00 23.44 H new ATOM 0 HD3 ARG A 40 -13.452 -4.698 -13.181 1.00 23.44 H new ATOM 0 HE ARG A 40 -11.515 -4.186 -11.195 1.00 21.44 H new ATOM 0 HH11 ARG A 40 -12.082 -6.728 -13.608 1.00 62.14 H new ATOM 0 HH12 ARG A 40 -10.358 -7.031 -13.853 1.00 62.14 H new ATOM 0 HH21 ARG A 40 -9.294 -4.572 -11.574 1.00 34.32 H new ATOM 0 HH22 ARG A 40 -8.803 -5.827 -12.717 1.00 34.32 H new ATOM 639 N LYS A 41 -14.624 -5.347 -6.781 1.00 45.35 N ATOM 640 CA LYS A 41 -14.887 -6.335 -5.740 1.00 24.12 C ATOM 641 C LYS A 41 -15.891 -5.768 -4.745 1.00 15.22 C ATOM 642 O LYS A 41 -16.878 -6.425 -4.417 1.00 71.12 O ATOM 643 CB LYS A 41 -13.548 -6.729 -5.087 1.00 31.41 C ATOM 644 CG LYS A 41 -13.613 -7.914 -4.106 1.00 4.21 C ATOM 645 CD LYS A 41 -14.190 -7.591 -2.722 1.00 4.42 C ATOM 646 CE LYS A 41 -13.426 -8.320 -1.598 1.00 14.53 C ATOM 647 NZ LYS A 41 -13.525 -9.795 -1.659 1.00 14.43 N ATOM 0 H LYS A 41 -13.701 -4.919 -6.713 1.00 45.35 H new ATOM 0 HA LYS A 41 -15.332 -7.240 -6.155 1.00 24.12 H new ATOM 0 HB2 LYS A 41 -12.836 -6.972 -5.876 1.00 31.41 H new ATOM 0 HB3 LYS A 41 -13.153 -5.862 -4.557 1.00 31.41 H new ATOM 0 HG2 LYS A 41 -14.214 -8.704 -4.556 1.00 4.21 H new ATOM 0 HG3 LYS A 41 -12.607 -8.313 -3.977 1.00 4.21 H new ATOM 0 HD2 LYS A 41 -14.147 -6.515 -2.552 1.00 4.42 H new ATOM 0 HD3 LYS A 41 -15.242 -7.876 -2.691 1.00 4.42 H new ATOM 0 HE2 LYS A 41 -12.375 -8.035 -1.644 1.00 14.53 H new ATOM 0 HE3 LYS A 41 -13.807 -7.980 -0.635 1.00 14.53 H new ATOM 0 HZ1 LYS A 41 -12.987 -10.212 -0.873 1.00 14.43 H new ATOM 0 HZ2 LYS A 41 -14.523 -10.079 -1.585 1.00 14.43 H new ATOM 0 HZ3 LYS A 41 -13.135 -10.132 -2.562 1.00 14.43 H new ATOM 661 N TYR A 42 -15.627 -4.557 -4.261 1.00 51.14 N ATOM 662 CA TYR A 42 -16.456 -3.812 -3.338 1.00 42.30 C ATOM 663 C TYR A 42 -17.323 -2.873 -4.170 1.00 62.32 C ATOM 664 O TYR A 42 -16.826 -1.878 -4.696 1.00 40.34 O ATOM 665 CB TYR A 42 -15.592 -3.014 -2.358 1.00 40.54 C ATOM 666 CG TYR A 42 -14.600 -3.858 -1.595 1.00 34.22 C ATOM 667 CD1 TYR A 42 -14.994 -4.645 -0.496 1.00 20.22 C ATOM 668 CD2 TYR A 42 -13.272 -3.890 -2.043 1.00 14.22 C ATOM 669 CE1 TYR A 42 -14.053 -5.470 0.146 1.00 25.03 C ATOM 670 CE2 TYR A 42 -12.333 -4.712 -1.416 1.00 11.24 C ATOM 671 CZ TYR A 42 -12.716 -5.504 -0.313 1.00 5.42 C ATOM 672 OH TYR A 42 -11.804 -6.341 0.240 1.00 4.32 O ATOM 0 H TYR A 42 -14.782 -4.048 -4.521 1.00 51.14 H new ATOM 0 HA TYR A 42 -17.074 -4.488 -2.748 1.00 42.30 H new ATOM 0 HB2 TYR A 42 -15.052 -2.243 -2.908 1.00 40.54 H new ATOM 0 HB3 TYR A 42 -16.242 -2.503 -1.648 1.00 40.54 H new ATOM 0 HD1 TYR A 42 -16.016 -4.615 -0.147 1.00 20.22 H new ATOM 0 HD2 TYR A 42 -12.973 -3.275 -2.879 1.00 14.22 H new ATOM 0 HE1 TYR A 42 -14.351 -6.077 0.988 1.00 25.03 H new ATOM 0 HE2 TYR A 42 -11.315 -4.741 -1.775 1.00 11.24 H new ATOM 0 HH TYR A 42 -12.267 -7.036 0.753 1.00 4.32 H new ATOM 682 N LYS A 43 -18.612 -3.168 -4.320 1.00 0.54 N ATOM 683 CA LYS A 43 -19.503 -2.355 -5.159 1.00 10.24 C ATOM 684 C LYS A 43 -20.291 -1.340 -4.326 1.00 63.13 C ATOM 685 O LYS A 43 -21.386 -0.934 -4.709 1.00 30.13 O ATOM 686 CB LYS A 43 -20.391 -3.261 -6.022 1.00 3.30 C ATOM 687 CG LYS A 43 -19.537 -4.216 -6.874 1.00 22.10 C ATOM 688 CD LYS A 43 -20.389 -5.003 -7.868 1.00 35.23 C ATOM 689 CE LYS A 43 -20.620 -4.205 -9.156 1.00 52.13 C ATOM 690 NZ LYS A 43 -21.579 -4.891 -10.041 1.00 44.22 N ATOM 0 H LYS A 43 -19.068 -3.964 -3.873 1.00 0.54 H new ATOM 0 HA LYS A 43 -18.900 -1.759 -5.844 1.00 10.24 H new ATOM 0 HB2 LYS A 43 -21.060 -3.837 -5.383 1.00 3.30 H new ATOM 0 HB3 LYS A 43 -21.018 -2.650 -6.671 1.00 3.30 H new ATOM 0 HG2 LYS A 43 -18.782 -3.645 -7.414 1.00 22.10 H new ATOM 0 HG3 LYS A 43 -19.006 -4.909 -6.222 1.00 22.10 H new ATOM 0 HD2 LYS A 43 -19.897 -5.946 -8.105 1.00 35.23 H new ATOM 0 HD3 LYS A 43 -21.348 -5.249 -7.413 1.00 35.23 H new ATOM 0 HE2 LYS A 43 -20.994 -3.211 -8.910 1.00 52.13 H new ATOM 0 HE3 LYS A 43 -19.673 -4.068 -9.678 1.00 52.13 H new ATOM 0 HZ1 LYS A 43 -21.717 -4.329 -10.905 1.00 44.22 H new ATOM 0 HZ2 LYS A 43 -21.208 -5.829 -10.293 1.00 44.22 H new ATOM 0 HZ3 LYS A 43 -22.489 -4.999 -9.549 1.00 44.22 H new ATOM 704 N GLY A 44 -19.771 -0.964 -3.158 1.00 4.30 N ATOM 705 CA GLY A 44 -20.513 -0.247 -2.133 1.00 24.13 C ATOM 706 C GLY A 44 -19.659 0.735 -1.350 1.00 41.52 C ATOM 707 O GLY A 44 -19.875 0.907 -0.152 1.00 62.21 O ATOM 0 H GLY A 44 -18.804 -1.155 -2.897 1.00 4.30 H new ATOM 0 HA2 GLY A 44 -21.337 0.291 -2.601 1.00 24.13 H new ATOM 0 HA3 GLY A 44 -20.953 -0.966 -1.442 1.00 24.13 H new ATOM 711 N ILE A 45 -18.671 1.341 -2.002 1.00 4.03 N ATOM 712 CA ILE A 45 -17.672 2.200 -1.383 1.00 44.12 C ATOM 713 C ILE A 45 -17.614 3.543 -2.128 1.00 60.05 C ATOM 714 O ILE A 45 -17.982 3.608 -3.308 1.00 20.24 O ATOM 715 CB ILE A 45 -16.357 1.385 -1.299 1.00 2.53 C ATOM 716 CG1 ILE A 45 -15.153 2.192 -0.798 1.00 53.02 C ATOM 717 CG2 ILE A 45 -16.002 0.579 -2.562 1.00 12.12 C ATOM 718 CD1 ILE A 45 -14.292 2.876 -1.866 1.00 33.33 C ATOM 0 H ILE A 45 -18.541 1.243 -3.009 1.00 4.03 H new ATOM 0 HA ILE A 45 -17.911 2.490 -0.360 1.00 44.12 H new ATOM 0 HB ILE A 45 -16.590 0.646 -0.533 1.00 2.53 H new ATOM 0 HG12 ILE A 45 -15.517 2.957 -0.113 1.00 53.02 H new ATOM 0 HG13 ILE A 45 -14.513 1.525 -0.220 1.00 53.02 H new ATOM 0 HG21 ILE A 45 -15.066 0.045 -2.401 1.00 12.12 H new ATOM 0 HG22 ILE A 45 -16.797 -0.137 -2.772 1.00 12.12 H new ATOM 0 HG23 ILE A 45 -15.892 1.258 -3.408 1.00 12.12 H new ATOM 0 HD11 ILE A 45 -13.475 3.413 -1.385 1.00 33.33 H new ATOM 0 HD12 ILE A 45 -13.884 2.124 -2.541 1.00 33.33 H new ATOM 0 HD13 ILE A 45 -14.904 3.578 -2.432 1.00 33.33 H new ATOM 730 N LYS A 46 -17.178 4.608 -1.441 1.00 51.14 N ATOM 731 CA LYS A 46 -17.017 5.974 -1.946 1.00 54.31 C ATOM 732 C LYS A 46 -15.549 6.364 -1.776 1.00 22.34 C ATOM 733 O LYS A 46 -14.990 6.137 -0.700 1.00 24.32 O ATOM 734 CB LYS A 46 -17.979 6.901 -1.171 1.00 75.52 C ATOM 735 CG LYS A 46 -17.986 8.361 -1.656 1.00 53.05 C ATOM 736 CD LYS A 46 -17.083 9.292 -0.832 1.00 13.13 C ATOM 737 CE LYS A 46 -17.774 9.769 0.456 1.00 11.42 C ATOM 738 NZ LYS A 46 -16.875 10.594 1.288 1.00 72.41 N ATOM 0 H LYS A 46 -16.913 4.532 -0.459 1.00 51.14 H new ATOM 0 HA LYS A 46 -17.268 6.059 -3.003 1.00 54.31 H new ATOM 0 HB2 LYS A 46 -18.990 6.501 -1.248 1.00 75.52 H new ATOM 0 HB3 LYS A 46 -17.709 6.883 -0.115 1.00 75.52 H new ATOM 0 HG2 LYS A 46 -17.667 8.390 -2.698 1.00 53.05 H new ATOM 0 HG3 LYS A 46 -19.008 8.740 -1.625 1.00 53.05 H new ATOM 0 HD2 LYS A 46 -16.160 8.771 -0.577 1.00 13.13 H new ATOM 0 HD3 LYS A 46 -16.805 10.156 -1.436 1.00 13.13 H new ATOM 0 HE2 LYS A 46 -18.663 10.346 0.199 1.00 11.42 H new ATOM 0 HE3 LYS A 46 -18.109 8.905 1.030 1.00 11.42 H new ATOM 0 HZ1 LYS A 46 -17.439 11.262 1.851 1.00 72.41 H new ATOM 0 HZ2 LYS A 46 -16.329 9.979 1.925 1.00 72.41 H new ATOM 0 HZ3 LYS A 46 -16.223 11.123 0.675 1.00 72.41 H new ATOM 752 N ILE A 47 -14.924 6.914 -2.819 1.00 64.33 N ATOM 753 CA ILE A 47 -13.510 7.279 -2.837 1.00 74.35 C ATOM 754 C ILE A 47 -13.380 8.643 -2.159 1.00 11.24 C ATOM 755 O ILE A 47 -14.189 9.538 -2.409 1.00 1.13 O ATOM 756 CB ILE A 47 -12.989 7.279 -4.298 1.00 41.42 C ATOM 757 CG1 ILE A 47 -13.266 5.957 -5.061 1.00 61.30 C ATOM 758 CG2 ILE A 47 -11.489 7.615 -4.365 1.00 33.01 C ATOM 759 CD1 ILE A 47 -12.619 4.696 -4.465 1.00 45.12 C ATOM 0 H ILE A 47 -15.401 7.122 -3.696 1.00 64.33 H new ATOM 0 HA ILE A 47 -12.897 6.560 -2.293 1.00 74.35 H new ATOM 0 HB ILE A 47 -13.558 8.062 -4.800 1.00 41.42 H new ATOM 0 HG12 ILE A 47 -14.344 5.804 -5.105 1.00 61.30 H new ATOM 0 HG13 ILE A 47 -12.918 6.071 -6.087 1.00 61.30 H new ATOM 0 HG21 ILE A 47 -11.160 7.605 -5.404 1.00 33.01 H new ATOM 0 HG22 ILE A 47 -11.318 8.604 -3.939 1.00 33.01 H new ATOM 0 HG23 ILE A 47 -10.925 6.874 -3.799 1.00 33.01 H new ATOM 0 HD11 ILE A 47 -12.877 3.831 -5.076 1.00 45.12 H new ATOM 0 HD12 ILE A 47 -11.536 4.817 -4.446 1.00 45.12 H new ATOM 0 HD13 ILE A 47 -12.985 4.545 -3.449 1.00 45.12 H new ATOM 771 N GLN A 48 -12.382 8.788 -1.290 1.00 72.12 N ATOM 772 CA GLN A 48 -12.159 9.925 -0.399 1.00 22.04 C ATOM 773 C GLN A 48 -10.731 9.888 0.139 1.00 42.22 C ATOM 774 O GLN A 48 -10.025 8.931 -0.122 1.00 3.42 O ATOM 775 CB GLN A 48 -13.161 9.856 0.761 1.00 34.45 C ATOM 776 CG GLN A 48 -13.100 8.524 1.530 1.00 41.25 C ATOM 777 CD GLN A 48 -14.126 8.496 2.647 1.00 3.20 C ATOM 778 OE1 GLN A 48 -15.316 8.633 2.404 1.00 64.34 O ATOM 779 NE2 GLN A 48 -13.703 8.346 3.888 1.00 11.11 N ATOM 0 H GLN A 48 -11.664 8.072 -1.182 1.00 72.12 H new ATOM 0 HA GLN A 48 -12.302 10.856 -0.947 1.00 22.04 H new ATOM 0 HB2 GLN A 48 -12.966 10.677 1.451 1.00 34.45 H new ATOM 0 HB3 GLN A 48 -14.169 9.999 0.372 1.00 34.45 H new ATOM 0 HG2 GLN A 48 -13.280 7.695 0.845 1.00 41.25 H new ATOM 0 HG3 GLN A 48 -12.102 8.384 1.944 1.00 41.25 H new ATOM 0 HE21 GLN A 48 -12.707 8.233 4.077 1.00 11.11 H new ATOM 0 HE22 GLN A 48 -14.372 8.343 4.658 1.00 11.11 H new ATOM 788 N GLU A 49 -10.310 10.876 0.922 1.00 2.33 N ATOM 789 CA GLU A 49 -8.948 11.013 1.458 1.00 34.23 C ATOM 790 C GLU A 49 -8.860 10.518 2.913 1.00 33.51 C ATOM 791 O GLU A 49 -8.112 11.058 3.739 1.00 51.23 O ATOM 792 CB GLU A 49 -8.466 12.468 1.378 1.00 43.32 C ATOM 793 CG GLU A 49 -8.650 13.116 0.012 1.00 62.15 C ATOM 794 CD GLU A 49 -8.200 14.577 0.090 1.00 22.20 C ATOM 795 OE1 GLU A 49 -8.924 15.381 0.726 1.00 0.13 O ATOM 796 OE2 GLU A 49 -7.108 14.924 -0.410 1.00 44.14 O ATOM 0 H GLU A 49 -10.926 11.634 1.215 1.00 2.33 H new ATOM 0 HA GLU A 49 -8.300 10.391 0.841 1.00 34.23 H new ATOM 0 HB2 GLU A 49 -9.002 13.057 2.122 1.00 43.32 H new ATOM 0 HB3 GLU A 49 -7.410 12.504 1.644 1.00 43.32 H new ATOM 0 HG2 GLU A 49 -8.068 12.582 -0.740 1.00 62.15 H new ATOM 0 HG3 GLU A 49 -9.695 13.059 -0.294 1.00 62.15 H new ATOM 803 N GLY A 50 -9.681 9.531 3.253 1.00 4.41 N ATOM 804 CA GLY A 50 -9.857 9.054 4.622 1.00 65.25 C ATOM 805 C GLY A 50 -9.682 7.546 4.760 1.00 41.43 C ATOM 806 O GLY A 50 -9.449 6.835 3.781 1.00 3.04 O ATOM 0 H GLY A 50 -10.254 9.030 2.574 1.00 4.41 H new ATOM 0 HA2 GLY A 50 -9.140 9.557 5.270 1.00 65.25 H new ATOM 0 HA3 GLY A 50 -10.852 9.331 4.971 1.00 65.25 H new ATOM 810 N ILE A 51 -9.847 7.057 5.993 1.00 34.10 N ATOM 811 CA ILE A 51 -10.201 5.665 6.253 1.00 74.33 C ATOM 812 C ILE A 51 -11.512 5.384 5.517 1.00 42.11 C ATOM 813 O ILE A 51 -12.375 6.261 5.424 1.00 41.22 O ATOM 814 CB ILE A 51 -10.358 5.440 7.782 1.00 62.23 C ATOM 815 CG1 ILE A 51 -9.005 5.490 8.525 1.00 35.23 C ATOM 816 CG2 ILE A 51 -11.104 4.144 8.157 1.00 14.15 C ATOM 817 CD1 ILE A 51 -8.093 4.280 8.284 1.00 53.00 C ATOM 0 H ILE A 51 -9.738 7.619 6.837 1.00 34.10 H new ATOM 0 HA ILE A 51 -9.424 4.987 5.900 1.00 74.33 H new ATOM 0 HB ILE A 51 -10.978 6.274 8.109 1.00 62.23 H new ATOM 0 HG12 ILE A 51 -8.474 6.393 8.223 1.00 35.23 H new ATOM 0 HG13 ILE A 51 -9.197 5.575 9.595 1.00 35.23 H new ATOM 0 HG21 ILE A 51 -11.170 4.063 9.242 1.00 14.15 H new ATOM 0 HG22 ILE A 51 -12.108 4.166 7.733 1.00 14.15 H new ATOM 0 HG23 ILE A 51 -10.562 3.285 7.762 1.00 14.15 H new ATOM 0 HD11 ILE A 51 -7.167 4.404 8.846 1.00 53.00 H new ATOM 0 HD12 ILE A 51 -8.598 3.372 8.613 1.00 53.00 H new ATOM 0 HD13 ILE A 51 -7.864 4.203 7.221 1.00 53.00 H new ATOM 829 N VAL A 52 -11.655 4.154 5.038 1.00 44.03 N ATOM 830 CA VAL A 52 -12.859 3.599 4.465 1.00 51.33 C ATOM 831 C VAL A 52 -12.970 2.179 5.016 1.00 60.41 C ATOM 832 O VAL A 52 -12.347 1.240 4.512 1.00 73.11 O ATOM 833 CB VAL A 52 -12.773 3.699 2.932 1.00 71.52 C ATOM 834 CG1 VAL A 52 -13.887 2.926 2.236 1.00 72.34 C ATOM 835 CG2 VAL A 52 -12.865 5.159 2.455 1.00 14.13 C ATOM 0 H VAL A 52 -10.885 3.485 5.043 1.00 44.03 H new ATOM 0 HA VAL A 52 -13.770 4.135 4.731 1.00 51.33 H new ATOM 0 HB VAL A 52 -11.806 3.269 2.670 1.00 71.52 H new ATOM 0 HG11 VAL A 52 -13.781 3.029 1.156 1.00 72.34 H new ATOM 0 HG12 VAL A 52 -13.824 1.872 2.508 1.00 72.34 H new ATOM 0 HG13 VAL A 52 -14.854 3.323 2.545 1.00 72.34 H new ATOM 0 HG21 VAL A 52 -12.801 5.191 1.367 1.00 14.13 H new ATOM 0 HG22 VAL A 52 -13.815 5.587 2.775 1.00 14.13 H new ATOM 0 HG23 VAL A 52 -12.045 5.734 2.884 1.00 14.13 H new ATOM 845 N ASP A 53 -13.718 2.029 6.110 1.00 64.41 N ATOM 846 CA ASP A 53 -14.066 0.737 6.697 1.00 44.32 C ATOM 847 C ASP A 53 -15.110 0.035 5.821 1.00 14.01 C ATOM 848 O ASP A 53 -16.308 0.009 6.125 1.00 5.24 O ATOM 849 CB ASP A 53 -14.524 0.908 8.155 1.00 73.24 C ATOM 850 CG ASP A 53 -15.101 -0.397 8.724 1.00 62.31 C ATOM 851 OD1 ASP A 53 -14.500 -1.474 8.516 1.00 73.32 O ATOM 852 OD2 ASP A 53 -16.224 -0.359 9.290 1.00 44.12 O ATOM 0 H ASP A 53 -14.107 2.820 6.623 1.00 64.41 H new ATOM 0 HA ASP A 53 -13.184 0.097 6.727 1.00 44.32 H new ATOM 0 HB2 ASP A 53 -13.681 1.231 8.766 1.00 73.24 H new ATOM 0 HB3 ASP A 53 -15.277 1.694 8.210 1.00 73.24 H new ATOM 857 N TYR A 54 -14.662 -0.522 4.701 1.00 50.52 N ATOM 858 CA TYR A 54 -15.443 -1.386 3.834 1.00 4.52 C ATOM 859 C TYR A 54 -14.454 -2.417 3.293 1.00 13.42 C ATOM 860 O TYR A 54 -13.625 -2.094 2.440 1.00 75.14 O ATOM 861 CB TYR A 54 -16.153 -0.552 2.749 1.00 50.04 C ATOM 862 CG TYR A 54 -17.395 -1.200 2.160 1.00 42.01 C ATOM 863 CD1 TYR A 54 -18.577 -1.277 2.922 1.00 61.25 C ATOM 864 CD2 TYR A 54 -17.398 -1.660 0.832 1.00 65.23 C ATOM 865 CE1 TYR A 54 -19.755 -1.804 2.360 1.00 1.41 C ATOM 866 CE2 TYR A 54 -18.571 -2.187 0.261 1.00 33.53 C ATOM 867 CZ TYR A 54 -19.761 -2.256 1.022 1.00 33.51 C ATOM 868 OH TYR A 54 -20.875 -2.803 0.461 1.00 41.04 O ATOM 0 H TYR A 54 -13.711 -0.377 4.363 1.00 50.52 H new ATOM 0 HA TYR A 54 -16.253 -1.902 4.349 1.00 4.52 H new ATOM 0 HB2 TYR A 54 -16.430 0.412 3.175 1.00 50.04 H new ATOM 0 HB3 TYR A 54 -15.447 -0.353 1.943 1.00 50.04 H new ATOM 0 HD1 TYR A 54 -18.580 -0.929 3.945 1.00 61.25 H new ATOM 0 HD2 TYR A 54 -16.493 -1.609 0.245 1.00 65.23 H new ATOM 0 HE1 TYR A 54 -20.656 -1.863 2.953 1.00 1.41 H new ATOM 0 HE2 TYR A 54 -18.563 -2.539 -0.760 1.00 33.53 H new ATOM 0 HH TYR A 54 -20.685 -3.053 -0.467 1.00 41.04 H new ATOM 878 N GLY A 55 -14.466 -3.631 3.844 1.00 4.34 N ATOM 879 CA GLY A 55 -13.515 -4.685 3.516 1.00 2.34 C ATOM 880 C GLY A 55 -12.358 -4.730 4.509 1.00 24.31 C ATOM 881 O GLY A 55 -12.301 -5.640 5.329 1.00 41.45 O ATOM 0 H GLY A 55 -15.152 -3.911 4.545 1.00 4.34 H new ATOM 0 HA2 GLY A 55 -14.027 -5.648 3.509 1.00 2.34 H new ATOM 0 HA3 GLY A 55 -13.126 -4.524 2.511 1.00 2.34 H new ATOM 885 N VAL A 56 -11.408 -3.799 4.414 1.00 32.43 N ATOM 886 CA VAL A 56 -10.067 -3.925 4.999 1.00 32.33 C ATOM 887 C VAL A 56 -9.496 -2.589 5.468 1.00 3.43 C ATOM 888 O VAL A 56 -8.286 -2.378 5.536 1.00 5.44 O ATOM 889 CB VAL A 56 -9.212 -4.721 3.987 1.00 51.01 C ATOM 890 CG1 VAL A 56 -9.329 -4.290 2.559 1.00 44.12 C ATOM 891 CG2 VAL A 56 -7.724 -4.802 4.288 1.00 50.22 C ATOM 0 H VAL A 56 -11.549 -2.918 3.919 1.00 32.43 H new ATOM 0 HA VAL A 56 -10.085 -4.484 5.934 1.00 32.33 H new ATOM 0 HB VAL A 56 -9.667 -5.703 4.120 1.00 51.01 H new ATOM 0 HG11 VAL A 56 -8.688 -4.915 1.937 1.00 44.12 H new ATOM 0 HG12 VAL A 56 -10.364 -4.392 2.232 1.00 44.12 H new ATOM 0 HG13 VAL A 56 -9.021 -3.249 2.467 1.00 44.12 H new ATOM 0 HG21 VAL A 56 -7.227 -5.384 3.512 1.00 50.22 H new ATOM 0 HG22 VAL A 56 -7.303 -3.797 4.314 1.00 50.22 H new ATOM 0 HG23 VAL A 56 -7.574 -5.284 5.254 1.00 50.22 H new ATOM 901 N ARG A 57 -10.374 -1.667 5.851 1.00 34.14 N ATOM 902 CA ARG A 57 -9.983 -0.317 6.206 1.00 15.35 C ATOM 903 C ARG A 57 -9.005 0.249 5.176 1.00 24.01 C ATOM 904 O ARG A 57 -7.879 0.622 5.507 1.00 4.12 O ATOM 905 CB ARG A 57 -9.481 -0.254 7.662 1.00 4.13 C ATOM 906 CG ARG A 57 -10.593 -0.314 8.724 1.00 73.34 C ATOM 907 CD ARG A 57 -10.374 0.653 9.905 1.00 3.41 C ATOM 908 NE ARG A 57 -9.115 0.412 10.635 1.00 73.51 N ATOM 909 CZ ARG A 57 -8.616 1.148 11.637 1.00 42.51 C ATOM 910 NH1 ARG A 57 -9.319 2.134 12.180 1.00 43.42 N ATOM 911 NH2 ARG A 57 -7.394 0.902 12.091 1.00 53.24 N ATOM 0 H ARG A 57 -11.377 -1.840 5.922 1.00 34.14 H new ATOM 0 HA ARG A 57 -10.855 0.336 6.173 1.00 15.35 H new ATOM 0 HB2 ARG A 57 -8.790 -1.080 7.831 1.00 4.13 H new ATOM 0 HB3 ARG A 57 -8.915 0.668 7.798 1.00 4.13 H new ATOM 0 HG2 ARG A 57 -11.548 -0.085 8.251 1.00 73.34 H new ATOM 0 HG3 ARG A 57 -10.663 -1.332 9.107 1.00 73.34 H new ATOM 0 HD2 ARG A 57 -10.378 1.677 9.532 1.00 3.41 H new ATOM 0 HD3 ARG A 57 -11.210 0.563 10.598 1.00 3.41 H new ATOM 0 HE ARG A 57 -8.568 -0.399 10.347 1.00 73.51 H new ATOM 0 HH11 ARG A 57 -10.256 2.342 11.835 1.00 43.42 H new ATOM 0 HH12 ARG A 57 -8.922 2.684 12.942 1.00 43.42 H new ATOM 0 HH21 ARG A 57 -6.837 0.154 11.677 1.00 53.24 H new ATOM 0 HH22 ARG A 57 -7.011 1.461 12.854 1.00 53.24 H new ATOM 925 N PHE A 58 -9.435 0.300 3.911 1.00 5.15 N ATOM 926 CA PHE A 58 -8.646 0.957 2.881 1.00 74.12 C ATOM 927 C PHE A 58 -8.416 2.389 3.355 1.00 13.42 C ATOM 928 O PHE A 58 -9.363 3.061 3.772 1.00 11.01 O ATOM 929 CB PHE A 58 -9.350 0.924 1.516 1.00 75.14 C ATOM 930 CG PHE A 58 -9.567 -0.459 0.926 1.00 14.45 C ATOM 931 CD1 PHE A 58 -8.484 -1.181 0.392 1.00 70.31 C ATOM 932 CD2 PHE A 58 -10.844 -1.047 0.955 1.00 33.40 C ATOM 933 CE1 PHE A 58 -8.658 -2.505 -0.056 1.00 42.20 C ATOM 934 CE2 PHE A 58 -11.014 -2.374 0.523 1.00 55.54 C ATOM 935 CZ PHE A 58 -9.917 -3.114 0.058 1.00 22.31 C ATOM 0 H PHE A 58 -10.314 -0.102 3.585 1.00 5.15 H new ATOM 0 HA PHE A 58 -7.698 0.438 2.736 1.00 74.12 H new ATOM 0 HB2 PHE A 58 -10.319 1.414 1.614 1.00 75.14 H new ATOM 0 HB3 PHE A 58 -8.765 1.513 0.810 1.00 75.14 H new ATOM 0 HD1 PHE A 58 -7.511 -0.716 0.325 1.00 70.31 H new ATOM 0 HD2 PHE A 58 -11.693 -0.480 1.308 1.00 33.40 H new ATOM 0 HE1 PHE A 58 -7.828 -3.048 -0.484 1.00 42.20 H new ATOM 0 HE2 PHE A 58 -11.995 -2.826 0.549 1.00 55.54 H new ATOM 0 HZ PHE A 58 -10.041 -4.152 -0.212 1.00 22.31 H new ATOM 945 N PHE A 59 -7.166 2.842 3.344 1.00 23.00 N ATOM 946 CA PHE A 59 -6.831 4.208 3.702 1.00 1.44 C ATOM 947 C PHE A 59 -6.423 4.902 2.420 1.00 21.23 C ATOM 948 O PHE A 59 -5.451 4.502 1.776 1.00 11.32 O ATOM 949 CB PHE A 59 -5.741 4.273 4.773 1.00 53.23 C ATOM 950 CG PHE A 59 -5.346 5.710 5.056 1.00 11.52 C ATOM 951 CD1 PHE A 59 -6.165 6.531 5.855 1.00 45.01 C ATOM 952 CD2 PHE A 59 -4.239 6.270 4.395 1.00 4.21 C ATOM 953 CE1 PHE A 59 -5.888 7.904 5.973 1.00 65.01 C ATOM 954 CE2 PHE A 59 -3.970 7.647 4.499 1.00 74.54 C ATOM 955 CZ PHE A 59 -4.810 8.464 5.270 1.00 43.22 C ATOM 0 H PHE A 59 -6.361 2.270 3.087 1.00 23.00 H new ATOM 0 HA PHE A 59 -7.688 4.710 4.151 1.00 1.44 H new ATOM 0 HB2 PHE A 59 -6.097 3.802 5.689 1.00 53.23 H new ATOM 0 HB3 PHE A 59 -4.868 3.710 4.444 1.00 53.23 H new ATOM 0 HD1 PHE A 59 -7.008 6.105 6.378 1.00 45.01 H new ATOM 0 HD2 PHE A 59 -3.591 5.640 3.804 1.00 4.21 H new ATOM 0 HE1 PHE A 59 -6.504 8.527 6.604 1.00 65.01 H new ATOM 0 HE2 PHE A 59 -3.120 8.073 3.987 1.00 74.54 H new ATOM 0 HZ PHE A 59 -4.627 9.527 5.323 1.00 43.22 H new ATOM 965 N PHE A 60 -7.185 5.913 2.038 1.00 13.22 N ATOM 966 CA PHE A 60 -7.027 6.579 0.767 1.00 24.52 C ATOM 967 C PHE A 60 -6.464 7.987 1.003 1.00 20.51 C ATOM 968 O PHE A 60 -6.669 8.608 2.048 1.00 64.24 O ATOM 969 CB PHE A 60 -8.385 6.560 0.070 1.00 51.01 C ATOM 970 CG PHE A 60 -8.916 5.211 -0.391 1.00 71.42 C ATOM 971 CD1 PHE A 60 -8.344 4.536 -1.487 1.00 73.22 C ATOM 972 CD2 PHE A 60 -10.048 4.659 0.236 1.00 4.13 C ATOM 973 CE1 PHE A 60 -8.896 3.330 -1.952 1.00 24.02 C ATOM 974 CE2 PHE A 60 -10.614 3.464 -0.240 1.00 5.13 C ATOM 975 CZ PHE A 60 -10.032 2.794 -1.327 1.00 40.24 C ATOM 0 H PHE A 60 -7.937 6.295 2.612 1.00 13.22 H new ATOM 0 HA PHE A 60 -6.313 6.078 0.114 1.00 24.52 H new ATOM 0 HB2 PHE A 60 -9.118 6.997 0.748 1.00 51.01 H new ATOM 0 HB3 PHE A 60 -8.326 7.214 -0.800 1.00 51.01 H new ATOM 0 HD1 PHE A 60 -7.473 4.949 -1.975 1.00 73.22 H new ATOM 0 HD2 PHE A 60 -10.485 5.157 1.089 1.00 4.13 H new ATOM 0 HE1 PHE A 60 -8.446 2.817 -2.789 1.00 24.02 H new ATOM 0 HE2 PHE A 60 -11.498 3.061 0.231 1.00 5.13 H new ATOM 0 HZ PHE A 60 -10.458 1.867 -1.682 1.00 40.24 H new ATOM 985 N TYR A 61 -5.691 8.469 0.039 1.00 30.00 N ATOM 986 CA TYR A 61 -4.884 9.687 0.029 1.00 75.22 C ATOM 987 C TYR A 61 -4.485 9.953 -1.422 1.00 14.34 C ATOM 988 O TYR A 61 -4.647 9.078 -2.279 1.00 52.14 O ATOM 989 CB TYR A 61 -3.619 9.490 0.872 1.00 71.02 C ATOM 990 CG TYR A 61 -2.843 8.241 0.519 1.00 3.34 C ATOM 991 CD1 TYR A 61 -3.165 7.033 1.155 1.00 41.33 C ATOM 992 CD2 TYR A 61 -1.826 8.273 -0.449 1.00 23.13 C ATOM 993 CE1 TYR A 61 -2.459 5.865 0.852 1.00 0.53 C ATOM 994 CE2 TYR A 61 -1.097 7.109 -0.743 1.00 14.14 C ATOM 995 CZ TYR A 61 -1.421 5.894 -0.100 1.00 25.24 C ATOM 996 OH TYR A 61 -0.757 4.748 -0.402 1.00 70.11 O ATOM 0 H TYR A 61 -5.603 7.968 -0.845 1.00 30.00 H new ATOM 0 HA TYR A 61 -5.449 10.521 0.445 1.00 75.22 H new ATOM 0 HB2 TYR A 61 -2.971 10.357 0.747 1.00 71.02 H new ATOM 0 HB3 TYR A 61 -3.897 9.449 1.925 1.00 71.02 H new ATOM 0 HD1 TYR A 61 -3.963 7.005 1.883 1.00 41.33 H new ATOM 0 HD2 TYR A 61 -1.604 9.194 -0.968 1.00 23.13 H new ATOM 0 HE1 TYR A 61 -2.710 4.939 1.348 1.00 0.53 H new ATOM 0 HE2 TYR A 61 -0.290 7.143 -1.460 1.00 14.14 H new ATOM 0 HH TYR A 61 -0.447 4.785 -1.331 1.00 70.11 H new ATOM 1006 N THR A 62 -3.956 11.133 -1.713 1.00 11.43 N ATOM 1007 CA THR A 62 -3.816 11.627 -3.076 1.00 30.52 C ATOM 1008 C THR A 62 -2.357 11.600 -3.547 1.00 14.41 C ATOM 1009 O THR A 62 -1.424 11.550 -2.746 1.00 53.24 O ATOM 1010 CB THR A 62 -4.484 13.010 -3.167 1.00 11.24 C ATOM 1011 OG1 THR A 62 -4.094 13.898 -2.127 1.00 63.52 O ATOM 1012 CG2 THR A 62 -6.010 12.875 -3.143 1.00 13.22 C ATOM 0 H THR A 62 -3.609 11.780 -1.005 1.00 11.43 H new ATOM 0 HA THR A 62 -4.331 10.965 -3.772 1.00 30.52 H new ATOM 0 HB THR A 62 -4.147 13.435 -4.112 1.00 11.24 H new ATOM 0 HG1 THR A 62 -4.248 13.472 -1.258 1.00 63.52 H new ATOM 0 HG21 THR A 62 -6.464 13.864 -3.208 1.00 13.22 H new ATOM 0 HG22 THR A 62 -6.335 12.270 -3.989 1.00 13.22 H new ATOM 0 HG23 THR A 62 -6.318 12.395 -2.214 1.00 13.22 H new ATOM 1020 N SER A 63 -2.154 11.635 -4.865 1.00 10.33 N ATOM 1021 CA SER A 63 -0.845 11.750 -5.502 1.00 24.54 C ATOM 1022 C SER A 63 -0.244 13.148 -5.317 1.00 73.15 C ATOM 1023 O SER A 63 0.969 13.320 -5.452 1.00 62.44 O ATOM 1024 CB SER A 63 -1.042 11.327 -6.965 1.00 45.40 C ATOM 1025 OG SER A 63 -0.140 11.804 -7.943 1.00 24.12 O ATOM 0 H SER A 63 -2.920 11.582 -5.537 1.00 10.33 H new ATOM 0 HA SER A 63 -0.105 11.097 -5.039 1.00 24.54 H new ATOM 0 HB2 SER A 63 -1.018 10.238 -6.999 1.00 45.40 H new ATOM 0 HB3 SER A 63 -2.044 11.634 -7.264 1.00 45.40 H new ATOM 0 HG SER A 63 -0.345 11.389 -8.807 1.00 24.12 H new ATOM 1031 N LYS A 64 -1.065 14.158 -5.001 1.00 43.01 N ATOM 1032 CA LYS A 64 -0.559 15.507 -4.773 1.00 72.24 C ATOM 1033 C LYS A 64 0.218 15.609 -3.468 1.00 3.12 C ATOM 1034 O LYS A 64 1.168 16.387 -3.406 1.00 35.24 O ATOM 1035 CB LYS A 64 -1.692 16.548 -4.840 1.00 22.53 C ATOM 1036 CG LYS A 64 -2.691 16.490 -3.682 1.00 34.45 C ATOM 1037 CD LYS A 64 -2.364 17.375 -2.473 1.00 62.43 C ATOM 1038 CE LYS A 64 -3.062 18.733 -2.499 1.00 72.23 C ATOM 1039 NZ LYS A 64 -2.834 19.430 -1.220 1.00 13.13 N ATOM 0 H LYS A 64 -2.075 14.062 -4.899 1.00 43.01 H new ATOM 0 HA LYS A 64 0.141 15.730 -5.578 1.00 72.24 H new ATOM 0 HB2 LYS A 64 -1.249 17.544 -4.869 1.00 22.53 H new ATOM 0 HB3 LYS A 64 -2.235 16.413 -5.776 1.00 22.53 H new ATOM 0 HG2 LYS A 64 -3.673 16.773 -4.060 1.00 34.45 H new ATOM 0 HG3 LYS A 64 -2.765 15.457 -3.343 1.00 34.45 H new ATOM 0 HD2 LYS A 64 -2.647 16.848 -1.562 1.00 62.43 H new ATOM 0 HD3 LYS A 64 -1.286 17.531 -2.429 1.00 62.43 H new ATOM 0 HE2 LYS A 64 -2.681 19.333 -3.325 1.00 72.23 H new ATOM 0 HE3 LYS A 64 -4.131 18.601 -2.667 1.00 72.23 H new ATOM 0 HZ1 LYS A 64 -3.310 20.355 -1.239 1.00 13.13 H new ATOM 0 HZ2 LYS A 64 -3.218 18.859 -0.440 1.00 13.13 H new ATOM 0 HZ3 LYS A 64 -1.813 19.569 -1.077 1.00 13.13 H new ATOM 1053 N GLU A 65 -0.222 14.930 -2.404 1.00 53.22 N ATOM 1054 CA GLU A 65 0.297 15.208 -1.070 1.00 54.11 C ATOM 1055 C GLU A 65 1.610 14.443 -0.855 1.00 75.00 C ATOM 1056 O GLU A 65 1.904 13.514 -1.612 1.00 23.33 O ATOM 1057 CB GLU A 65 -0.774 14.963 0.007 1.00 61.12 C ATOM 1058 CG GLU A 65 -1.037 13.495 0.336 1.00 42.33 C ATOM 1059 CD GLU A 65 -2.407 13.349 0.997 1.00 33.11 C ATOM 1060 OE1 GLU A 65 -2.518 13.643 2.211 1.00 73.44 O ATOM 1061 OE2 GLU A 65 -3.397 13.042 0.288 1.00 4.24 O ATOM 0 H GLU A 65 -0.927 14.194 -2.443 1.00 53.22 H new ATOM 0 HA GLU A 65 0.542 16.266 -0.977 1.00 54.11 H new ATOM 0 HB2 GLU A 65 -0.473 15.476 0.920 1.00 61.12 H new ATOM 0 HB3 GLU A 65 -1.708 15.419 -0.321 1.00 61.12 H new ATOM 0 HG2 GLU A 65 -0.997 12.896 -0.574 1.00 42.33 H new ATOM 0 HG3 GLU A 65 -0.260 13.117 1.001 1.00 42.33 H new ATOM 1068 N PRO A 66 2.442 14.834 0.122 1.00 75.01 N ATOM 1069 CA PRO A 66 3.783 14.292 0.252 1.00 5.21 C ATOM 1070 C PRO A 66 3.741 12.812 0.619 1.00 24.35 C ATOM 1071 O PRO A 66 3.063 12.431 1.577 1.00 41.12 O ATOM 1072 CB PRO A 66 4.469 15.126 1.343 1.00 15.13 C ATOM 1073 CG PRO A 66 3.613 16.385 1.466 1.00 21.20 C ATOM 1074 CD PRO A 66 2.221 15.899 1.084 1.00 72.05 C ATOM 0 HA PRO A 66 4.333 14.351 -0.688 1.00 5.21 H new ATOM 0 HB2 PRO A 66 4.513 14.583 2.287 1.00 15.13 H new ATOM 0 HB3 PRO A 66 5.495 15.370 1.068 1.00 15.13 H new ATOM 0 HG2 PRO A 66 3.635 16.789 2.478 1.00 21.20 H new ATOM 0 HG3 PRO A 66 3.961 17.175 0.800 1.00 21.20 H new ATOM 0 HD2 PRO A 66 1.677 15.536 1.956 1.00 72.05 H new ATOM 0 HD3 PRO A 66 1.627 16.704 0.651 1.00 72.05 H new ATOM 1082 N VAL A 67 4.540 11.991 -0.066 1.00 34.21 N ATOM 1083 CA VAL A 67 4.709 10.568 0.233 1.00 4.15 C ATOM 1084 C VAL A 67 5.023 10.403 1.725 1.00 5.43 C ATOM 1085 O VAL A 67 4.405 9.579 2.405 1.00 25.22 O ATOM 1086 CB VAL A 67 5.791 9.953 -0.685 1.00 42.52 C ATOM 1087 CG1 VAL A 67 5.956 8.443 -0.487 1.00 30.42 C ATOM 1088 CG2 VAL A 67 5.449 10.146 -2.166 1.00 71.11 C ATOM 0 H VAL A 67 5.099 12.304 -0.860 1.00 34.21 H new ATOM 0 HA VAL A 67 3.788 10.023 0.029 1.00 4.15 H new ATOM 0 HB VAL A 67 6.709 10.473 -0.411 1.00 42.52 H new ATOM 0 HG11 VAL A 67 6.729 8.070 -1.159 1.00 30.42 H new ATOM 0 HG12 VAL A 67 6.243 8.241 0.545 1.00 30.42 H new ATOM 0 HG13 VAL A 67 5.013 7.942 -0.706 1.00 30.42 H new ATOM 0 HG21 VAL A 67 6.231 9.701 -2.781 1.00 71.11 H new ATOM 0 HG22 VAL A 67 4.497 9.663 -2.385 1.00 71.11 H new ATOM 0 HG23 VAL A 67 5.375 11.211 -2.387 1.00 71.11 H new ATOM 1098 N ALA A 68 5.918 11.230 2.277 1.00 51.54 N ATOM 1099 CA ALA A 68 6.265 11.152 3.685 1.00 4.03 C ATOM 1100 C ALA A 68 5.122 11.580 4.622 1.00 0.11 C ATOM 1101 O ALA A 68 5.091 11.143 5.772 1.00 23.44 O ATOM 1102 CB ALA A 68 7.517 11.989 3.945 1.00 55.04 C ATOM 0 H ALA A 68 6.411 11.959 1.762 1.00 51.54 H new ATOM 0 HA ALA A 68 6.459 10.104 3.912 1.00 4.03 H new ATOM 0 HB1 ALA A 68 7.780 11.932 5.001 1.00 55.04 H new ATOM 0 HB2 ALA A 68 8.342 11.606 3.345 1.00 55.04 H new ATOM 0 HB3 ALA A 68 7.323 13.027 3.675 1.00 55.04 H new ATOM 1108 N SER A 69 4.180 12.422 4.184 1.00 30.32 N ATOM 1109 CA SER A 69 3.002 12.767 4.982 1.00 64.54 C ATOM 1110 C SER A 69 2.135 11.518 5.171 1.00 15.54 C ATOM 1111 O SER A 69 1.658 11.247 6.275 1.00 32.34 O ATOM 1112 CB SER A 69 2.217 13.900 4.301 1.00 4.25 C ATOM 1113 OG SER A 69 1.158 14.347 5.118 1.00 52.53 O ATOM 0 H SER A 69 4.213 12.880 3.273 1.00 30.32 H new ATOM 0 HA SER A 69 3.311 13.124 5.965 1.00 64.54 H new ATOM 0 HB2 SER A 69 2.888 14.731 4.083 1.00 4.25 H new ATOM 0 HB3 SER A 69 1.822 13.550 3.347 1.00 4.25 H new ATOM 0 HG SER A 69 0.676 15.068 4.663 1.00 52.53 H new ATOM 1119 N ILE A 70 1.950 10.731 4.115 1.00 72.35 N ATOM 1120 CA ILE A 70 1.147 9.515 4.147 1.00 54.43 C ATOM 1121 C ILE A 70 1.815 8.490 5.082 1.00 14.41 C ATOM 1122 O ILE A 70 1.098 7.820 5.823 1.00 31.13 O ATOM 1123 CB ILE A 70 0.998 9.015 2.693 1.00 34.25 C ATOM 1124 CG1 ILE A 70 0.196 10.030 1.841 1.00 34.33 C ATOM 1125 CG2 ILE A 70 0.346 7.627 2.599 1.00 45.40 C ATOM 1126 CD1 ILE A 70 0.708 10.105 0.401 1.00 42.14 C ATOM 0 H ILE A 70 2.360 10.924 3.201 1.00 72.35 H new ATOM 0 HA ILE A 70 0.148 9.689 4.547 1.00 54.43 H new ATOM 0 HB ILE A 70 2.010 8.925 2.298 1.00 34.25 H new ATOM 0 HG12 ILE A 70 -0.857 9.747 1.837 1.00 34.33 H new ATOM 0 HG13 ILE A 70 0.259 11.017 2.299 1.00 34.33 H new ATOM 0 HG21 ILE A 70 0.269 7.331 1.553 1.00 45.40 H new ATOM 0 HG22 ILE A 70 0.956 6.901 3.137 1.00 45.40 H new ATOM 0 HG23 ILE A 70 -0.650 7.662 3.040 1.00 45.40 H new ATOM 0 HD11 ILE A 70 0.116 10.829 -0.158 1.00 42.14 H new ATOM 0 HD12 ILE A 70 1.753 10.414 0.402 1.00 42.14 H new ATOM 0 HD13 ILE A 70 0.620 9.125 -0.068 1.00 42.14 H new ATOM 1138 N ILE A 71 3.156 8.397 5.121 1.00 35.23 N ATOM 1139 CA ILE A 71 3.883 7.538 6.073 1.00 51.31 C ATOM 1140 C ILE A 71 3.462 7.886 7.511 1.00 11.11 C ATOM 1141 O ILE A 71 3.183 6.991 8.311 1.00 34.23 O ATOM 1142 CB ILE A 71 5.420 7.657 5.870 1.00 44.23 C ATOM 1143 CG1 ILE A 71 5.906 7.180 4.481 1.00 63.23 C ATOM 1144 CG2 ILE A 71 6.243 6.953 6.965 1.00 61.33 C ATOM 1145 CD1 ILE A 71 5.731 5.688 4.167 1.00 70.44 C ATOM 0 H ILE A 71 3.768 8.917 4.492 1.00 35.23 H new ATOM 0 HA ILE A 71 3.622 6.496 5.887 1.00 51.31 H new ATOM 0 HB ILE A 71 5.598 8.730 5.942 1.00 44.23 H new ATOM 0 HG12 ILE A 71 5.377 7.753 3.720 1.00 63.23 H new ATOM 0 HG13 ILE A 71 6.964 7.426 4.387 1.00 63.23 H new ATOM 0 HG21 ILE A 71 7.306 7.078 6.758 1.00 61.33 H new ATOM 0 HG22 ILE A 71 6.008 7.391 7.935 1.00 61.33 H new ATOM 0 HG23 ILE A 71 5.998 5.891 6.978 1.00 61.33 H new ATOM 0 HD11 ILE A 71 6.109 5.480 3.166 1.00 70.44 H new ATOM 0 HD12 ILE A 71 6.286 5.096 4.895 1.00 70.44 H new ATOM 0 HD13 ILE A 71 4.674 5.427 4.217 1.00 70.44 H new ATOM 1157 N THR A 72 3.375 9.177 7.846 1.00 75.41 N ATOM 1158 CA THR A 72 2.991 9.641 9.175 1.00 11.03 C ATOM 1159 C THR A 72 1.594 9.134 9.593 1.00 4.33 C ATOM 1160 O THR A 72 1.355 8.952 10.784 1.00 30.43 O ATOM 1161 CB THR A 72 3.159 11.173 9.218 1.00 12.01 C ATOM 1162 OG1 THR A 72 4.495 11.497 8.868 1.00 43.42 O ATOM 1163 CG2 THR A 72 2.877 11.816 10.572 1.00 25.12 C ATOM 0 H THR A 72 3.572 9.935 7.192 1.00 75.41 H new ATOM 0 HA THR A 72 3.649 9.212 9.931 1.00 11.03 H new ATOM 0 HB THR A 72 2.420 11.565 8.519 1.00 12.01 H new ATOM 0 HG1 THR A 72 4.596 11.461 7.894 1.00 43.42 H new ATOM 0 HG21 THR A 72 3.022 12.894 10.500 1.00 25.12 H new ATOM 0 HG22 THR A 72 1.849 11.607 10.867 1.00 25.12 H new ATOM 0 HG23 THR A 72 3.558 11.407 11.318 1.00 25.12 H new ATOM 1171 N LYS A 73 0.688 8.826 8.651 1.00 64.02 N ATOM 1172 CA LYS A 73 -0.630 8.273 8.956 1.00 65.04 C ATOM 1173 C LYS A 73 -0.484 6.903 9.609 1.00 72.13 C ATOM 1174 O LYS A 73 -1.065 6.647 10.656 1.00 35.44 O ATOM 1175 CB LYS A 73 -1.451 8.131 7.666 1.00 2.35 C ATOM 1176 CG LYS A 73 -1.636 9.419 6.857 1.00 64.21 C ATOM 1177 CD LYS A 73 -2.749 10.308 7.414 1.00 5.04 C ATOM 1178 CE LYS A 73 -2.793 11.564 6.544 1.00 24.11 C ATOM 1179 NZ LYS A 73 -4.044 12.333 6.723 1.00 71.11 N ATOM 0 H LYS A 73 0.856 8.956 7.653 1.00 64.02 H new ATOM 0 HA LYS A 73 -1.141 8.949 9.641 1.00 65.04 H new ATOM 0 HB2 LYS A 73 -0.970 7.389 7.029 1.00 2.35 H new ATOM 0 HB3 LYS A 73 -2.435 7.740 7.924 1.00 2.35 H new ATOM 0 HG2 LYS A 73 -0.700 9.977 6.850 1.00 64.21 H new ATOM 0 HG3 LYS A 73 -1.863 9.164 5.822 1.00 64.21 H new ATOM 0 HD2 LYS A 73 -3.707 9.788 7.390 1.00 5.04 H new ATOM 0 HD3 LYS A 73 -2.553 10.566 8.455 1.00 5.04 H new ATOM 0 HE2 LYS A 73 -1.942 12.200 6.786 1.00 24.11 H new ATOM 0 HE3 LYS A 73 -2.691 11.280 5.496 1.00 24.11 H new ATOM 0 HZ1 LYS A 73 -4.025 13.174 6.112 1.00 71.11 H new ATOM 0 HZ2 LYS A 73 -4.857 11.737 6.467 1.00 71.11 H new ATOM 0 HZ3 LYS A 73 -4.131 12.629 7.716 1.00 71.11 H new ATOM 1193 N LEU A 74 0.292 6.005 9.001 1.00 32.14 N ATOM 1194 CA LEU A 74 0.482 4.656 9.530 1.00 64.23 C ATOM 1195 C LEU A 74 1.264 4.694 10.834 1.00 44.32 C ATOM 1196 O LEU A 74 1.055 3.867 11.717 1.00 63.03 O ATOM 1197 CB LEU A 74 1.272 3.812 8.534 1.00 23.21 C ATOM 1198 CG LEU A 74 0.594 3.446 7.214 1.00 54.33 C ATOM 1199 CD1 LEU A 74 -0.943 3.478 7.235 1.00 13.34 C ATOM 1200 CD2 LEU A 74 1.176 4.255 6.055 1.00 1.23 C ATOM 0 H LEU A 74 0.801 6.190 8.137 1.00 32.14 H new ATOM 0 HA LEU A 74 -0.504 4.224 9.702 1.00 64.23 H new ATOM 0 HB2 LEU A 74 2.194 4.345 8.301 1.00 23.21 H new ATOM 0 HB3 LEU A 74 1.557 2.885 9.032 1.00 23.21 H new ATOM 0 HG LEU A 74 0.828 2.393 7.055 1.00 54.33 H new ATOM 0 HD11 LEU A 74 -1.326 3.203 6.252 1.00 13.34 H new ATOM 0 HD12 LEU A 74 -1.312 2.771 7.979 1.00 13.34 H new ATOM 0 HD13 LEU A 74 -1.283 4.482 7.489 1.00 13.34 H new ATOM 0 HD21 LEU A 74 0.676 3.975 5.128 1.00 1.23 H new ATOM 0 HD22 LEU A 74 1.025 5.318 6.242 1.00 1.23 H new ATOM 0 HD23 LEU A 74 2.243 4.050 5.968 1.00 1.23 H new ATOM 1212 N ASN A 75 2.170 5.659 10.956 1.00 45.32 N ATOM 1213 CA ASN A 75 2.850 5.963 12.216 1.00 14.33 C ATOM 1214 C ASN A 75 1.888 6.290 13.359 1.00 32.31 C ATOM 1215 O ASN A 75 2.252 6.086 14.519 1.00 3.02 O ATOM 1216 CB ASN A 75 3.892 7.081 12.033 1.00 64.15 C ATOM 1217 CG ASN A 75 5.319 6.618 12.299 1.00 32.34 C ATOM 1218 OD1 ASN A 75 5.567 5.747 13.128 1.00 65.13 O ATOM 1219 ND2 ASN A 75 6.293 7.129 11.565 1.00 1.14 N ATOM 0 H ASN A 75 2.457 6.257 10.181 1.00 45.32 H new ATOM 0 HA ASN A 75 3.370 5.050 12.506 1.00 14.33 H new ATOM 0 HB2 ASN A 75 3.826 7.468 11.016 1.00 64.15 H new ATOM 0 HB3 ASN A 75 3.653 7.906 12.704 1.00 64.15 H new ATOM 0 HD21 ASN A 75 7.251 6.800 11.687 1.00 1.14 H new ATOM 0 HD22 ASN A 75 6.087 7.853 10.876 1.00 1.14 H new ATOM 1226 N SER A 76 0.685 6.767 13.040 1.00 0.22 N ATOM 1227 CA SER A 76 -0.438 6.912 13.938 1.00 23.11 C ATOM 1228 C SER A 76 -1.110 5.548 14.098 1.00 75.31 C ATOM 1229 O SER A 76 -1.145 5.002 15.200 1.00 51.42 O ATOM 1230 CB SER A 76 -1.321 8.048 13.379 1.00 63.04 C ATOM 1231 OG SER A 76 -2.689 7.757 13.133 1.00 23.23 O ATOM 0 H SER A 76 0.466 7.077 12.093 1.00 0.22 H new ATOM 0 HA SER A 76 -0.168 7.208 14.952 1.00 23.11 H new ATOM 0 HB2 SER A 76 -1.276 8.883 14.078 1.00 63.04 H new ATOM 0 HB3 SER A 76 -0.877 8.390 12.444 1.00 63.04 H new ATOM 0 HG SER A 76 -3.136 8.556 12.784 1.00 23.23 H new ATOM 1237 N LEU A 77 -1.654 5.006 13.006 1.00 5.15 N ATOM 1238 CA LEU A 77 -2.547 3.844 13.029 1.00 33.11 C ATOM 1239 C LEU A 77 -1.924 2.598 13.648 1.00 33.51 C ATOM 1240 O LEU A 77 -2.670 1.805 14.221 1.00 24.44 O ATOM 1241 CB LEU A 77 -3.053 3.478 11.627 1.00 30.05 C ATOM 1242 CG LEU A 77 -3.916 4.548 10.940 1.00 61.31 C ATOM 1243 CD1 LEU A 77 -4.413 3.971 9.615 1.00 63.13 C ATOM 1244 CD2 LEU A 77 -5.110 4.989 11.792 1.00 14.42 C ATOM 0 H LEU A 77 -1.484 5.367 12.067 1.00 5.15 H new ATOM 0 HA LEU A 77 -3.377 4.161 13.660 1.00 33.11 H new ATOM 0 HB2 LEU A 77 -2.193 3.266 10.992 1.00 30.05 H new ATOM 0 HB3 LEU A 77 -3.632 2.557 11.697 1.00 30.05 H new ATOM 0 HG LEU A 77 -3.302 5.436 10.786 1.00 61.31 H new ATOM 0 HD11 LEU A 77 -5.030 4.711 9.105 1.00 63.13 H new ATOM 0 HD12 LEU A 77 -3.560 3.714 8.987 1.00 63.13 H new ATOM 0 HD13 LEU A 77 -5.004 3.076 9.807 1.00 63.13 H new ATOM 0 HD21 LEU A 77 -5.681 5.745 11.254 1.00 14.42 H new ATOM 0 HD22 LEU A 77 -5.748 4.129 11.996 1.00 14.42 H new ATOM 0 HD23 LEU A 77 -4.751 5.406 12.733 1.00 14.42 H new ATOM 1256 N ASN A 78 -0.601 2.423 13.550 1.00 40.41 N ATOM 1257 CA ASN A 78 0.240 1.480 14.305 1.00 63.34 C ATOM 1258 C ASN A 78 0.010 -0.009 13.993 1.00 44.03 C ATOM 1259 O ASN A 78 0.890 -0.819 14.265 1.00 24.04 O ATOM 1260 CB ASN A 78 0.082 1.810 15.803 1.00 61.45 C ATOM 1261 CG ASN A 78 0.923 0.970 16.746 1.00 11.33 C ATOM 1262 OD1 ASN A 78 0.390 0.204 17.546 1.00 43.24 O ATOM 1263 ND2 ASN A 78 2.228 1.179 16.747 1.00 62.23 N ATOM 0 H ASN A 78 -0.048 2.975 12.895 1.00 40.41 H new ATOM 0 HA ASN A 78 1.272 1.622 13.984 1.00 63.34 H new ATOM 0 HB2 ASN A 78 0.334 2.859 15.955 1.00 61.45 H new ATOM 0 HB3 ASN A 78 -0.967 1.692 16.075 1.00 61.45 H new ATOM 0 HD21 ASN A 78 2.821 0.699 17.424 1.00 62.23 H new ATOM 0 HD22 ASN A 78 2.642 1.821 16.071 1.00 62.23 H new ATOM 1270 N GLU A 79 -1.105 -0.371 13.370 1.00 64.51 N ATOM 1271 CA GLU A 79 -1.422 -1.710 12.877 1.00 10.31 C ATOM 1272 C GLU A 79 -0.505 -2.124 11.713 1.00 11.55 C ATOM 1273 O GLU A 79 0.083 -1.245 11.077 1.00 32.14 O ATOM 1274 CB GLU A 79 -2.880 -1.680 12.393 1.00 54.11 C ATOM 1275 CG GLU A 79 -3.888 -1.523 13.538 1.00 41.22 C ATOM 1276 CD GLU A 79 -3.848 -2.673 14.552 1.00 34.12 C ATOM 1277 OE1 GLU A 79 -3.525 -3.826 14.186 1.00 34.14 O ATOM 1278 OE2 GLU A 79 -4.117 -2.396 15.742 1.00 3.24 O ATOM 0 H GLU A 79 -1.854 0.296 13.184 1.00 64.51 H new ATOM 0 HA GLU A 79 -1.274 -2.436 13.677 1.00 10.31 H new ATOM 0 HB2 GLU A 79 -3.007 -0.857 11.689 1.00 54.11 H new ATOM 0 HB3 GLU A 79 -3.096 -2.600 11.850 1.00 54.11 H new ATOM 0 HG2 GLU A 79 -3.692 -0.585 14.057 1.00 41.22 H new ATOM 0 HG3 GLU A 79 -4.892 -1.453 13.120 1.00 41.22 H new ATOM 1285 N PRO A 80 -0.427 -3.427 11.369 1.00 42.41 N ATOM 1286 CA PRO A 80 0.274 -3.877 10.176 1.00 5.43 C ATOM 1287 C PRO A 80 -0.508 -3.510 8.914 1.00 0.12 C ATOM 1288 O PRO A 80 -1.748 -3.499 8.918 1.00 42.33 O ATOM 1289 CB PRO A 80 0.381 -5.398 10.311 1.00 4.52 C ATOM 1290 CG PRO A 80 -0.874 -5.753 11.093 1.00 15.03 C ATOM 1291 CD PRO A 80 -1.018 -4.571 12.054 1.00 72.45 C ATOM 0 HA PRO A 80 1.253 -3.406 10.088 1.00 5.43 H new ATOM 0 HB2 PRO A 80 0.405 -5.890 9.339 1.00 4.52 H new ATOM 0 HB3 PRO A 80 1.286 -5.695 10.841 1.00 4.52 H new ATOM 0 HG2 PRO A 80 -1.742 -5.853 10.442 1.00 15.03 H new ATOM 0 HG3 PRO A 80 -0.765 -6.697 11.626 1.00 15.03 H new ATOM 0 HD2 PRO A 80 -2.066 -4.386 12.292 1.00 72.45 H new ATOM 0 HD3 PRO A 80 -0.507 -4.769 12.996 1.00 72.45 H new ATOM 1299 N LEU A 81 0.224 -3.278 7.823 1.00 32.02 N ATOM 1300 CA LEU A 81 -0.303 -2.926 6.521 1.00 65.42 C ATOM 1301 C LEU A 81 0.180 -3.915 5.468 1.00 54.43 C ATOM 1302 O LEU A 81 1.109 -4.695 5.684 1.00 63.22 O ATOM 1303 CB LEU A 81 0.138 -1.517 6.073 1.00 32.12 C ATOM 1304 CG LEU A 81 0.410 -0.410 7.101 1.00 63.35 C ATOM 1305 CD1 LEU A 81 -0.771 0.009 7.972 1.00 15.33 C ATOM 1306 CD2 LEU A 81 1.636 -0.623 7.973 1.00 25.43 C ATOM 0 H LEU A 81 1.242 -3.335 7.832 1.00 32.02 H new ATOM 0 HA LEU A 81 -1.389 -2.949 6.614 1.00 65.42 H new ATOM 0 HB2 LEU A 81 1.049 -1.639 5.486 1.00 32.12 H new ATOM 0 HB3 LEU A 81 -0.630 -1.142 5.396 1.00 32.12 H new ATOM 0 HG LEU A 81 0.615 0.422 6.427 1.00 63.35 H new ATOM 0 HD11 LEU A 81 -0.456 0.796 8.657 1.00 15.33 H new ATOM 0 HD12 LEU A 81 -1.577 0.380 7.339 1.00 15.33 H new ATOM 0 HD13 LEU A 81 -1.125 -0.849 8.543 1.00 15.33 H new ATOM 0 HD21 LEU A 81 1.740 0.213 8.665 1.00 25.43 H new ATOM 0 HD22 LEU A 81 1.525 -1.549 8.537 1.00 25.43 H new ATOM 0 HD23 LEU A 81 2.524 -0.686 7.344 1.00 25.43 H new ATOM 1318 N VAL A 82 -0.383 -3.785 4.275 1.00 22.12 N ATOM 1319 CA VAL A 82 0.111 -4.394 3.056 1.00 11.40 C ATOM 1320 C VAL A 82 -0.239 -3.430 1.921 1.00 11.43 C ATOM 1321 O VAL A 82 -1.410 -3.123 1.717 1.00 71.30 O ATOM 1322 CB VAL A 82 -0.465 -5.824 2.930 1.00 44.31 C ATOM 1323 CG1 VAL A 82 -1.990 -5.909 3.013 1.00 21.14 C ATOM 1324 CG2 VAL A 82 -0.022 -6.528 1.644 1.00 30.20 C ATOM 0 H VAL A 82 -1.227 -3.231 4.128 1.00 22.12 H new ATOM 0 HA VAL A 82 1.191 -4.538 3.036 1.00 11.40 H new ATOM 0 HB VAL A 82 -0.050 -6.331 3.801 1.00 44.31 H new ATOM 0 HG11 VAL A 82 -2.302 -6.949 2.915 1.00 21.14 H new ATOM 0 HG12 VAL A 82 -2.324 -5.519 3.974 1.00 21.14 H new ATOM 0 HG13 VAL A 82 -2.432 -5.320 2.209 1.00 21.14 H new ATOM 0 HG21 VAL A 82 -0.456 -7.527 1.608 1.00 30.20 H new ATOM 0 HG22 VAL A 82 -0.360 -5.955 0.781 1.00 30.20 H new ATOM 0 HG23 VAL A 82 1.065 -6.603 1.627 1.00 30.20 H new ATOM 1334 N THR A 83 0.752 -2.893 1.207 1.00 34.13 N ATOM 1335 CA THR A 83 0.497 -2.154 -0.025 1.00 24.14 C ATOM 1336 C THR A 83 1.738 -2.164 -0.911 1.00 52.24 C ATOM 1337 O THR A 83 2.834 -2.533 -0.489 1.00 41.01 O ATOM 1338 CB THR A 83 -0.016 -0.727 0.253 1.00 71.53 C ATOM 1339 OG1 THR A 83 -0.529 -0.174 -0.943 1.00 20.11 O ATOM 1340 CG2 THR A 83 1.027 0.226 0.830 1.00 0.25 C ATOM 0 H THR A 83 1.737 -2.957 1.463 1.00 34.13 H new ATOM 0 HA THR A 83 -0.304 -2.658 -0.567 1.00 24.14 H new ATOM 0 HB THR A 83 -0.786 -0.833 1.017 1.00 71.53 H new ATOM 0 HG1 THR A 83 -1.414 0.211 -0.772 1.00 20.11 H new ATOM 0 HG21 THR A 83 0.575 1.205 0.992 1.00 0.25 H new ATOM 0 HG22 THR A 83 1.393 -0.167 1.779 1.00 0.25 H new ATOM 0 HG23 THR A 83 1.858 0.322 0.132 1.00 0.25 H new ATOM 1348 N MET A 84 1.555 -1.757 -2.158 1.00 73.43 N ATOM 1349 CA MET A 84 2.595 -1.661 -3.167 1.00 30.21 C ATOM 1350 C MET A 84 3.447 -0.413 -2.836 1.00 33.25 C ATOM 1351 O MET A 84 2.987 0.440 -2.067 1.00 33.31 O ATOM 1352 CB MET A 84 1.931 -1.548 -4.553 1.00 43.34 C ATOM 1353 CG MET A 84 0.607 -2.320 -4.705 1.00 52.41 C ATOM 1354 SD MET A 84 -0.815 -1.205 -4.454 1.00 71.44 S ATOM 1355 CE MET A 84 -1.942 -2.170 -3.412 1.00 14.22 C ATOM 0 H MET A 84 0.640 -1.473 -2.507 1.00 73.43 H new ATOM 0 HA MET A 84 3.239 -2.540 -3.177 1.00 30.21 H new ATOM 0 HB2 MET A 84 1.747 -0.495 -4.766 1.00 43.34 H new ATOM 0 HB3 MET A 84 2.632 -1.908 -5.306 1.00 43.34 H new ATOM 0 HG2 MET A 84 0.553 -2.770 -5.696 1.00 52.41 H new ATOM 0 HG3 MET A 84 0.569 -3.135 -3.982 1.00 52.41 H new ATOM 0 HE1 MET A 84 -2.965 -1.830 -3.571 1.00 14.22 H new ATOM 0 HE2 MET A 84 -1.865 -3.225 -3.674 1.00 14.22 H new ATOM 0 HE3 MET A 84 -1.674 -2.035 -2.364 1.00 14.22 H new ATOM 1365 N PRO A 85 4.654 -0.246 -3.404 1.00 25.32 N ATOM 1366 CA PRO A 85 5.487 0.919 -3.130 1.00 53.32 C ATOM 1367 C PRO A 85 4.748 2.177 -3.590 1.00 45.13 C ATOM 1368 O PRO A 85 4.323 2.253 -4.741 1.00 53.23 O ATOM 1369 CB PRO A 85 6.805 0.710 -3.878 1.00 55.11 C ATOM 1370 CG PRO A 85 6.585 -0.486 -4.805 1.00 54.11 C ATOM 1371 CD PRO A 85 5.204 -1.051 -4.478 1.00 62.12 C ATOM 0 HA PRO A 85 5.697 1.042 -2.067 1.00 53.32 H new ATOM 0 HB2 PRO A 85 7.075 1.599 -4.448 1.00 55.11 H new ATOM 0 HB3 PRO A 85 7.621 0.518 -3.182 1.00 55.11 H new ATOM 0 HG2 PRO A 85 6.640 -0.180 -5.850 1.00 54.11 H new ATOM 0 HG3 PRO A 85 7.357 -1.240 -4.653 1.00 54.11 H new ATOM 0 HD2 PRO A 85 4.557 -1.017 -5.355 1.00 62.12 H new ATOM 0 HD3 PRO A 85 5.277 -2.096 -4.177 1.00 62.12 H new ATOM 1379 N ILE A 86 4.534 3.129 -2.682 1.00 42.02 N ATOM 1380 CA ILE A 86 3.662 4.274 -2.920 1.00 52.13 C ATOM 1381 C ILE A 86 4.361 5.219 -3.904 1.00 44.15 C ATOM 1382 O ILE A 86 3.993 5.298 -5.078 1.00 1.22 O ATOM 1383 CB ILE A 86 3.256 4.920 -1.570 1.00 14.33 C ATOM 1384 CG1 ILE A 86 2.500 3.886 -0.696 1.00 24.55 C ATOM 1385 CG2 ILE A 86 2.385 6.165 -1.823 1.00 3.42 C ATOM 1386 CD1 ILE A 86 2.253 4.317 0.755 1.00 73.32 C ATOM 0 H ILE A 86 4.964 3.126 -1.757 1.00 42.02 H new ATOM 0 HA ILE A 86 2.721 3.979 -3.385 1.00 52.13 H new ATOM 0 HB ILE A 86 4.153 5.232 -1.036 1.00 14.33 H new ATOM 0 HG12 ILE A 86 1.539 3.672 -1.164 1.00 24.55 H new ATOM 0 HG13 ILE A 86 3.066 2.955 -0.691 1.00 24.55 H new ATOM 0 HG21 ILE A 86 2.104 6.613 -0.870 1.00 3.42 H new ATOM 0 HG22 ILE A 86 2.948 6.889 -2.412 1.00 3.42 H new ATOM 0 HG23 ILE A 86 1.486 5.876 -2.367 1.00 3.42 H new ATOM 0 HD11 ILE A 86 1.719 3.527 1.283 1.00 73.32 H new ATOM 0 HD12 ILE A 86 3.208 4.501 1.247 1.00 73.32 H new ATOM 0 HD13 ILE A 86 1.657 5.229 0.767 1.00 73.32 H new ATOM 1398 N GLY A 87 5.392 5.922 -3.439 1.00 43.42 N ATOM 1399 CA GLY A 87 6.170 6.830 -4.260 1.00 14.12 C ATOM 1400 C GLY A 87 7.042 6.026 -5.213 1.00 21.31 C ATOM 1401 O GLY A 87 8.109 5.587 -4.804 1.00 71.32 O ATOM 0 H GLY A 87 5.709 5.872 -2.471 1.00 43.42 H new ATOM 0 HA2 GLY A 87 5.508 7.488 -4.823 1.00 14.12 H new ATOM 0 HA3 GLY A 87 6.791 7.466 -3.630 1.00 14.12 H new ATOM 1405 N TYR A 88 6.600 5.816 -6.455 1.00 33.14 N ATOM 1406 CA TYR A 88 7.430 5.255 -7.534 1.00 34.34 C ATOM 1407 C TYR A 88 7.084 5.840 -8.914 1.00 71.40 C ATOM 1408 O TYR A 88 7.918 5.857 -9.811 1.00 1.41 O ATOM 1409 CB TYR A 88 7.310 3.723 -7.525 1.00 4.15 C ATOM 1410 CG TYR A 88 8.129 3.003 -8.585 1.00 43.04 C ATOM 1411 CD1 TYR A 88 9.500 2.732 -8.390 1.00 24.12 C ATOM 1412 CD2 TYR A 88 7.507 2.602 -9.782 1.00 42.11 C ATOM 1413 CE1 TYR A 88 10.225 2.014 -9.360 1.00 45.50 C ATOM 1414 CE2 TYR A 88 8.228 1.893 -10.758 1.00 0.12 C ATOM 1415 CZ TYR A 88 9.582 1.574 -10.538 1.00 5.31 C ATOM 1416 OH TYR A 88 10.229 0.784 -11.437 1.00 33.24 O ATOM 0 H TYR A 88 5.647 6.031 -6.747 1.00 33.14 H new ATOM 0 HA TYR A 88 8.466 5.537 -7.345 1.00 34.34 H new ATOM 0 HB2 TYR A 88 7.613 3.357 -6.544 1.00 4.15 H new ATOM 0 HB3 TYR A 88 6.261 3.456 -7.655 1.00 4.15 H new ATOM 0 HD1 TYR A 88 9.995 3.076 -7.494 1.00 24.12 H new ATOM 0 HD2 TYR A 88 6.468 2.841 -9.952 1.00 42.11 H new ATOM 0 HE1 TYR A 88 11.272 1.800 -9.203 1.00 45.50 H new ATOM 0 HE2 TYR A 88 7.744 1.593 -11.676 1.00 0.12 H new ATOM 0 HH TYR A 88 9.629 0.580 -12.185 1.00 33.24 H new ATOM 1426 N VAL A 89 5.881 6.385 -9.096 1.00 73.43 N ATOM 1427 CA VAL A 89 5.423 6.925 -10.378 1.00 13.10 C ATOM 1428 C VAL A 89 4.806 8.305 -10.194 1.00 70.52 C ATOM 1429 O VAL A 89 5.281 9.226 -10.851 1.00 35.41 O ATOM 1430 CB VAL A 89 4.542 5.943 -11.174 1.00 63.33 C ATOM 1431 CG1 VAL A 89 5.418 5.073 -12.084 1.00 74.14 C ATOM 1432 CG2 VAL A 89 3.718 5.024 -10.278 1.00 31.33 C ATOM 0 H VAL A 89 5.189 6.465 -8.350 1.00 73.43 H new ATOM 0 HA VAL A 89 6.300 7.057 -11.011 1.00 13.10 H new ATOM 0 HB VAL A 89 3.852 6.552 -11.758 1.00 63.33 H new ATOM 0 HG11 VAL A 89 4.788 4.382 -12.643 1.00 74.14 H new ATOM 0 HG12 VAL A 89 5.964 5.710 -12.780 1.00 74.14 H new ATOM 0 HG13 VAL A 89 6.125 4.509 -11.477 1.00 74.14 H new ATOM 0 HG21 VAL A 89 3.118 4.356 -10.896 1.00 31.33 H new ATOM 0 HG22 VAL A 89 4.385 4.435 -9.649 1.00 31.33 H new ATOM 0 HG23 VAL A 89 3.061 5.624 -9.648 1.00 31.33 H new ATOM 1442 N THR A 90 3.872 8.486 -9.254 1.00 5.33 N ATOM 1443 CA THR A 90 3.359 9.785 -8.816 1.00 42.42 C ATOM 1444 C THR A 90 4.525 10.774 -8.607 1.00 41.11 C ATOM 1445 O THR A 90 4.722 11.693 -9.410 1.00 63.31 O ATOM 1446 CB THR A 90 2.407 9.597 -7.604 1.00 53.11 C ATOM 1447 OG1 THR A 90 2.218 10.806 -6.902 1.00 72.33 O ATOM 1448 CG2 THR A 90 2.853 8.548 -6.568 1.00 63.12 C ATOM 0 H THR A 90 3.439 7.705 -8.762 1.00 5.33 H new ATOM 0 HA THR A 90 2.742 10.245 -9.588 1.00 42.42 H new ATOM 0 HB THR A 90 1.488 9.242 -8.070 1.00 53.11 H new ATOM 0 HG1 THR A 90 1.458 11.292 -7.286 1.00 72.33 H new ATOM 0 HG21 THR A 90 2.119 8.496 -5.764 1.00 63.12 H new ATOM 0 HG22 THR A 90 2.934 7.573 -7.049 1.00 63.12 H new ATOM 0 HG23 THR A 90 3.822 8.832 -6.157 1.00 63.12 H new ATOM 1456 N HIS A 91 5.361 10.541 -7.591 1.00 31.04 N ATOM 1457 CA HIS A 91 6.534 11.365 -7.316 1.00 12.01 C ATOM 1458 C HIS A 91 7.711 11.063 -8.271 1.00 1.50 C ATOM 1459 O HIS A 91 8.758 11.703 -8.171 1.00 73.12 O ATOM 1460 CB HIS A 91 6.938 11.207 -5.840 1.00 45.41 C ATOM 1461 CG HIS A 91 7.516 12.471 -5.247 1.00 20.22 C ATOM 1462 ND1 HIS A 91 8.504 13.248 -5.808 1.00 63.53 N ATOM 1463 CD2 HIS A 91 7.203 13.016 -4.031 1.00 3.44 C ATOM 1464 CE1 HIS A 91 8.810 14.218 -4.934 1.00 3.45 C ATOM 1465 NE2 HIS A 91 8.044 14.119 -3.833 1.00 35.12 N ATOM 0 H HIS A 91 5.239 9.770 -6.934 1.00 31.04 H new ATOM 0 HA HIS A 91 6.268 12.406 -7.501 1.00 12.01 H new ATOM 0 HB2 HIS A 91 6.065 10.907 -5.260 1.00 45.41 H new ATOM 0 HB3 HIS A 91 7.670 10.404 -5.753 1.00 45.41 H new ATOM 0 HD1 HIS A 91 8.928 13.110 -6.725 1.00 63.53 H new ATOM 0 HD2 HIS A 91 6.445 12.660 -3.348 1.00 3.44 H new ATOM 0 HE1 HIS A 91 9.566 14.973 -5.092 1.00 3.45 H new ATOM 1473 N GLY A 92 7.570 10.101 -9.191 1.00 53.21 N ATOM 1474 CA GLY A 92 8.606 9.714 -10.147 1.00 20.04 C ATOM 1475 C GLY A 92 9.846 9.093 -9.501 1.00 63.33 C ATOM 1476 O GLY A 92 10.932 9.202 -10.077 1.00 64.03 O ATOM 0 H GLY A 92 6.711 9.560 -9.291 1.00 53.21 H new ATOM 0 HA2 GLY A 92 8.184 9.003 -10.857 1.00 20.04 H new ATOM 0 HA3 GLY A 92 8.907 10.593 -10.717 1.00 20.04 H new ATOM 1480 N PHE A 93 9.706 8.489 -8.315 1.00 32.41 N ATOM 1481 CA PHE A 93 10.854 7.939 -7.599 1.00 42.21 C ATOM 1482 C PHE A 93 11.346 6.662 -8.268 1.00 70.11 C ATOM 1483 O PHE A 93 10.589 5.939 -8.914 1.00 21.23 O ATOM 1484 CB PHE A 93 10.503 7.629 -6.142 1.00 22.02 C ATOM 1485 CG PHE A 93 10.272 8.821 -5.240 1.00 11.53 C ATOM 1486 CD1 PHE A 93 10.859 10.071 -5.512 1.00 42.11 C ATOM 1487 CD2 PHE A 93 9.479 8.666 -4.089 1.00 43.52 C ATOM 1488 CE1 PHE A 93 10.627 11.157 -4.666 1.00 43.11 C ATOM 1489 CE2 PHE A 93 9.220 9.767 -3.256 1.00 52.40 C ATOM 1490 CZ PHE A 93 9.791 11.016 -3.546 1.00 70.03 C ATOM 0 H PHE A 93 8.813 8.371 -7.836 1.00 32.41 H new ATOM 0 HA PHE A 93 11.640 8.693 -7.625 1.00 42.21 H new ATOM 0 HB2 PHE A 93 9.605 7.012 -6.130 1.00 22.02 H new ATOM 0 HB3 PHE A 93 11.307 7.029 -5.717 1.00 22.02 H new ATOM 0 HD1 PHE A 93 11.492 10.191 -6.379 1.00 42.11 H new ATOM 0 HD2 PHE A 93 9.068 7.698 -3.845 1.00 43.52 H new ATOM 0 HE1 PHE A 93 11.092 12.109 -4.873 1.00 43.11 H new ATOM 0 HE2 PHE A 93 8.582 9.652 -2.392 1.00 52.40 H new ATOM 0 HZ PHE A 93 9.588 11.865 -2.910 1.00 70.03 H new ATOM 1500 N ASN A 94 12.615 6.344 -8.051 1.00 52.02 N ATOM 1501 CA ASN A 94 13.226 5.116 -8.532 1.00 33.12 C ATOM 1502 C ASN A 94 13.084 4.002 -7.501 1.00 4.55 C ATOM 1503 O ASN A 94 12.585 4.218 -6.398 1.00 42.20 O ATOM 1504 CB ASN A 94 14.678 5.413 -8.906 1.00 24.45 C ATOM 1505 CG ASN A 94 14.801 6.354 -10.110 1.00 2.41 C ATOM 1506 OD1 ASN A 94 15.710 7.174 -10.176 1.00 44.12 O ATOM 1507 ND2 ASN A 94 13.924 6.280 -11.104 1.00 42.41 N ATOM 0 H ASN A 94 13.256 6.941 -7.529 1.00 52.02 H new ATOM 0 HA ASN A 94 12.715 4.755 -9.425 1.00 33.12 H new ATOM 0 HB2 ASN A 94 15.185 5.858 -8.050 1.00 24.45 H new ATOM 0 HB3 ASN A 94 15.190 4.477 -9.129 1.00 24.45 H new ATOM 0 HD21 ASN A 94 14.012 6.900 -11.909 1.00 42.41 H new ATOM 0 HD22 ASN A 94 13.162 5.603 -11.063 1.00 42.41 H new ATOM 1514 N LEU A 95 13.512 2.790 -7.866 1.00 62.32 N ATOM 1515 CA LEU A 95 13.272 1.562 -7.102 1.00 11.44 C ATOM 1516 C LEU A 95 13.869 1.657 -5.689 1.00 21.44 C ATOM 1517 O LEU A 95 13.284 1.143 -4.738 1.00 33.33 O ATOM 1518 CB LEU A 95 13.805 0.358 -7.924 1.00 74.03 C ATOM 1519 CG LEU A 95 13.133 -1.029 -7.759 1.00 4.10 C ATOM 1520 CD1 LEU A 95 13.610 -1.835 -6.548 1.00 1.32 C ATOM 1521 CD2 LEU A 95 11.602 -0.978 -7.772 1.00 32.03 C ATOM 0 H LEU A 95 14.047 2.632 -8.720 1.00 62.32 H new ATOM 0 HA LEU A 95 12.203 1.414 -6.945 1.00 11.44 H new ATOM 0 HB2 LEU A 95 13.744 0.628 -8.978 1.00 74.03 H new ATOM 0 HB3 LEU A 95 14.862 0.241 -7.685 1.00 74.03 H new ATOM 0 HG LEU A 95 13.468 -1.559 -8.651 1.00 4.10 H new ATOM 0 HD11 LEU A 95 13.084 -2.789 -6.516 1.00 1.32 H new ATOM 0 HD12 LEU A 95 14.682 -2.014 -6.629 1.00 1.32 H new ATOM 0 HD13 LEU A 95 13.404 -1.276 -5.635 1.00 1.32 H new ATOM 0 HD21 LEU A 95 11.203 -1.985 -7.652 1.00 32.03 H new ATOM 0 HD22 LEU A 95 11.252 -0.349 -6.953 1.00 32.03 H new ATOM 0 HD23 LEU A 95 11.260 -0.563 -8.720 1.00 32.03 H new ATOM 1533 N GLU A 96 14.999 2.353 -5.551 1.00 63.34 N ATOM 1534 CA GLU A 96 15.654 2.660 -4.286 1.00 34.35 C ATOM 1535 C GLU A 96 14.887 3.721 -3.494 1.00 73.11 C ATOM 1536 O GLU A 96 14.594 3.521 -2.321 1.00 33.30 O ATOM 1537 CB GLU A 96 17.073 3.126 -4.610 1.00 34.00 C ATOM 1538 CG GLU A 96 17.882 3.429 -3.350 1.00 70.04 C ATOM 1539 CD GLU A 96 19.373 3.536 -3.659 1.00 4.33 C ATOM 1540 OE1 GLU A 96 19.762 4.085 -4.708 1.00 3.42 O ATOM 1541 OE2 GLU A 96 20.188 2.993 -2.877 1.00 5.14 O ATOM 0 H GLU A 96 15.501 2.732 -6.354 1.00 63.34 H new ATOM 0 HA GLU A 96 15.679 1.773 -3.653 1.00 34.35 H new ATOM 0 HB2 GLU A 96 17.582 2.357 -5.191 1.00 34.00 H new ATOM 0 HB3 GLU A 96 17.027 4.019 -5.234 1.00 34.00 H new ATOM 0 HG2 GLU A 96 17.533 4.362 -2.907 1.00 70.04 H new ATOM 0 HG3 GLU A 96 17.717 2.644 -2.612 1.00 70.04 H new ATOM 1548 N GLU A 97 14.547 4.853 -4.106 1.00 42.21 N ATOM 1549 CA GLU A 97 13.889 5.965 -3.418 1.00 64.33 C ATOM 1550 C GLU A 97 12.476 5.589 -2.948 1.00 43.20 C ATOM 1551 O GLU A 97 12.057 5.949 -1.846 1.00 22.44 O ATOM 1552 CB GLU A 97 13.911 7.200 -4.334 1.00 24.32 C ATOM 1553 CG GLU A 97 15.137 8.086 -4.057 1.00 55.54 C ATOM 1554 CD GLU A 97 15.213 8.603 -2.612 1.00 73.44 C ATOM 1555 OE1 GLU A 97 14.169 8.905 -1.990 1.00 62.23 O ATOM 1556 OE2 GLU A 97 16.336 8.723 -2.075 1.00 10.43 O ATOM 0 H GLU A 97 14.720 5.027 -5.096 1.00 42.21 H new ATOM 0 HA GLU A 97 14.436 6.207 -2.507 1.00 64.33 H new ATOM 0 HB2 GLU A 97 13.919 6.881 -5.376 1.00 24.32 H new ATOM 0 HB3 GLU A 97 13.000 7.780 -4.186 1.00 24.32 H new ATOM 0 HG2 GLU A 97 16.041 7.519 -4.278 1.00 55.54 H new ATOM 0 HG3 GLU A 97 15.120 8.937 -4.737 1.00 55.54 H new ATOM 1563 N ALA A 98 11.777 4.752 -3.713 1.00 2.31 N ATOM 1564 CA ALA A 98 10.549 4.109 -3.282 1.00 70.14 C ATOM 1565 C ALA A 98 10.764 3.287 -2.012 1.00 22.45 C ATOM 1566 O ALA A 98 9.859 3.196 -1.185 1.00 34.01 O ATOM 1567 CB ALA A 98 10.039 3.205 -4.408 1.00 13.21 C ATOM 0 H ALA A 98 12.056 4.502 -4.662 1.00 2.31 H new ATOM 0 HA ALA A 98 9.813 4.881 -3.056 1.00 70.14 H new ATOM 0 HB1 ALA A 98 9.116 2.717 -4.093 1.00 13.21 H new ATOM 0 HB2 ALA A 98 9.847 3.805 -5.298 1.00 13.21 H new ATOM 0 HB3 ALA A 98 10.790 2.448 -4.636 1.00 13.21 H new ATOM 1573 N ALA A 99 11.928 2.657 -1.839 1.00 62.24 N ATOM 1574 CA ALA A 99 12.268 1.957 -0.611 1.00 12.32 C ATOM 1575 C ALA A 99 12.658 2.941 0.496 1.00 20.30 C ATOM 1576 O ALA A 99 12.302 2.682 1.644 1.00 51.03 O ATOM 1577 CB ALA A 99 13.357 0.914 -0.873 1.00 31.13 C ATOM 0 H ALA A 99 12.658 2.621 -2.551 1.00 62.24 H new ATOM 0 HA ALA A 99 11.385 1.424 -0.258 1.00 12.32 H new ATOM 0 HB1 ALA A 99 13.599 0.400 0.057 1.00 31.13 H new ATOM 0 HB2 ALA A 99 12.999 0.190 -1.605 1.00 31.13 H new ATOM 0 HB3 ALA A 99 14.249 1.408 -1.257 1.00 31.13 H new ATOM 1583 N ARG A 100 13.350 4.052 0.205 1.00 43.54 N ATOM 1584 CA ARG A 100 13.693 5.091 1.189 1.00 41.32 C ATOM 1585 C ARG A 100 12.438 5.629 1.856 1.00 1.01 C ATOM 1586 O ARG A 100 12.409 5.786 3.080 1.00 72.25 O ATOM 1587 CB ARG A 100 14.466 6.234 0.512 1.00 24.55 C ATOM 1588 CG ARG A 100 15.869 5.846 0.030 1.00 64.53 C ATOM 1589 CD ARG A 100 16.905 5.870 1.154 1.00 54.44 C ATOM 1590 NE ARG A 100 17.035 4.589 1.860 1.00 30.33 N ATOM 1591 CZ ARG A 100 18.083 4.255 2.622 1.00 73.15 C ATOM 1592 NH1 ARG A 100 18.893 5.187 3.109 1.00 73.52 N ATOM 1593 NH2 ARG A 100 18.310 2.981 2.912 1.00 71.13 N ATOM 0 H ARG A 100 13.692 4.258 -0.734 1.00 43.54 H new ATOM 0 HA ARG A 100 14.328 4.644 1.954 1.00 41.32 H new ATOM 0 HB2 ARG A 100 13.888 6.594 -0.339 1.00 24.55 H new ATOM 0 HB3 ARG A 100 14.552 7.064 1.213 1.00 24.55 H new ATOM 0 HG2 ARG A 100 15.836 4.848 -0.407 1.00 64.53 H new ATOM 0 HG3 ARG A 100 16.180 6.530 -0.760 1.00 64.53 H new ATOM 0 HD2 ARG A 100 17.874 6.146 0.738 1.00 54.44 H new ATOM 0 HD3 ARG A 100 16.633 6.645 1.871 1.00 54.44 H new ATOM 0 HE ARG A 100 16.279 3.911 1.763 1.00 30.33 H new ATOM 0 HH11 ARG A 100 18.720 6.171 2.904 1.00 73.52 H new ATOM 0 HH12 ARG A 100 19.688 4.919 3.689 1.00 73.52 H new ATOM 0 HH21 ARG A 100 17.686 2.258 2.554 1.00 71.13 H new ATOM 0 HH22 ARG A 100 19.108 2.725 3.493 1.00 71.13 H new ATOM 1607 N CYS A 101 11.396 5.864 1.064 1.00 0.31 N ATOM 1608 CA CYS A 101 10.072 6.214 1.539 1.00 73.22 C ATOM 1609 C CYS A 101 9.561 5.174 2.541 1.00 53.23 C ATOM 1610 O CYS A 101 9.347 5.504 3.709 1.00 51.31 O ATOM 1611 CB CYS A 101 9.159 6.368 0.318 1.00 4.43 C ATOM 1612 SG CYS A 101 9.478 7.995 -0.404 1.00 44.13 S ATOM 0 H CYS A 101 11.457 5.813 0.047 1.00 0.31 H new ATOM 0 HA CYS A 101 10.090 7.159 2.081 1.00 73.22 H new ATOM 0 HB2 CYS A 101 9.357 5.581 -0.410 1.00 4.43 H new ATOM 0 HB3 CYS A 101 8.112 6.277 0.609 1.00 4.43 H new ATOM 0 HG CYS A 101 9.234 7.959 -1.680 1.00 44.13 H new ATOM 1618 N MET A 102 9.362 3.924 2.107 1.00 3.33 N ATOM 1619 CA MET A 102 8.732 2.908 2.954 1.00 31.52 C ATOM 1620 C MET A 102 9.588 2.570 4.189 1.00 13.10 C ATOM 1621 O MET A 102 9.030 2.271 5.248 1.00 3.11 O ATOM 1622 CB MET A 102 8.393 1.643 2.145 1.00 75.41 C ATOM 1623 CG MET A 102 7.535 1.913 0.896 1.00 61.03 C ATOM 1624 SD MET A 102 5.953 2.779 1.109 1.00 44.20 S ATOM 1625 CE MET A 102 4.870 1.362 1.424 1.00 25.13 C ATOM 0 H MET A 102 9.627 3.594 1.179 1.00 3.33 H new ATOM 0 HA MET A 102 7.798 3.332 3.322 1.00 31.52 H new ATOM 0 HB2 MET A 102 9.321 1.160 1.839 1.00 75.41 H new ATOM 0 HB3 MET A 102 7.866 0.941 2.791 1.00 75.41 H new ATOM 0 HG2 MET A 102 8.139 2.491 0.196 1.00 61.03 H new ATOM 0 HG3 MET A 102 7.328 0.954 0.421 1.00 61.03 H new ATOM 0 HE1 MET A 102 3.849 1.712 1.579 1.00 25.13 H new ATOM 0 HE2 MET A 102 4.896 0.687 0.569 1.00 25.13 H new ATOM 0 HE3 MET A 102 5.212 0.834 2.314 1.00 25.13 H new ATOM 1635 N ARG A 103 10.922 2.667 4.098 1.00 4.21 N ATOM 1636 CA ARG A 103 11.863 2.459 5.206 1.00 42.12 C ATOM 1637 C ARG A 103 11.554 3.380 6.378 1.00 41.04 C ATOM 1638 O ARG A 103 11.699 2.960 7.529 1.00 53.41 O ATOM 1639 CB ARG A 103 13.305 2.694 4.705 1.00 41.34 C ATOM 1640 CG ARG A 103 14.380 2.618 5.802 1.00 50.40 C ATOM 1641 CD ARG A 103 15.772 3.017 5.294 1.00 70.20 C ATOM 1642 NE ARG A 103 16.776 2.663 6.304 1.00 73.55 N ATOM 1643 CZ ARG A 103 17.433 3.464 7.147 1.00 13.23 C ATOM 1644 NH1 ARG A 103 17.469 4.782 6.985 1.00 43.32 N ATOM 1645 NH2 ARG A 103 18.013 2.911 8.200 1.00 60.21 N ATOM 0 H ARG A 103 11.390 2.900 3.222 1.00 4.21 H new ATOM 0 HA ARG A 103 11.760 1.433 5.559 1.00 42.12 H new ATOM 0 HB2 ARG A 103 13.534 1.955 3.937 1.00 41.34 H new ATOM 0 HB3 ARG A 103 13.356 3.674 4.230 1.00 41.34 H new ATOM 0 HG2 ARG A 103 14.098 3.271 6.628 1.00 50.40 H new ATOM 0 HG3 ARG A 103 14.419 1.603 6.197 1.00 50.40 H new ATOM 0 HD2 ARG A 103 15.989 2.508 4.355 1.00 70.20 H new ATOM 0 HD3 ARG A 103 15.805 4.087 5.091 1.00 70.20 H new ATOM 0 HE ARG A 103 17.003 1.671 6.371 1.00 73.55 H new ATOM 0 HH11 ARG A 103 16.985 5.212 6.197 1.00 43.32 H new ATOM 0 HH12 ARG A 103 17.981 5.364 7.649 1.00 43.32 H new ATOM 0 HH21 ARG A 103 17.950 1.904 8.347 1.00 60.21 H new ATOM 0 HH22 ARG A 103 18.523 3.492 8.865 1.00 60.21 H new ATOM 1659 N SER A 104 11.162 4.623 6.100 1.00 1.34 N ATOM 1660 CA SER A 104 10.948 5.638 7.119 1.00 10.43 C ATOM 1661 C SER A 104 9.747 5.311 8.024 1.00 61.24 C ATOM 1662 O SER A 104 9.588 5.924 9.085 1.00 64.31 O ATOM 1663 CB SER A 104 10.791 6.990 6.411 1.00 42.34 C ATOM 1664 OG SER A 104 11.256 8.037 7.236 1.00 71.42 O ATOM 0 H SER A 104 10.984 4.952 5.151 1.00 1.34 H new ATOM 0 HA SER A 104 11.807 5.672 7.789 1.00 10.43 H new ATOM 0 HB2 SER A 104 11.347 6.983 5.474 1.00 42.34 H new ATOM 0 HB3 SER A 104 9.744 7.156 6.159 1.00 42.34 H new ATOM 0 HG SER A 104 11.151 8.892 6.770 1.00 71.42 H new ATOM 1670 N LEU A 105 8.897 4.353 7.633 1.00 62.33 N ATOM 1671 CA LEU A 105 7.814 3.858 8.463 1.00 1.13 C ATOM 1672 C LEU A 105 8.371 2.957 9.569 1.00 71.23 C ATOM 1673 O LEU A 105 9.378 2.274 9.371 1.00 12.10 O ATOM 1674 CB LEU A 105 6.836 3.089 7.561 1.00 32.11 C ATOM 1675 CG LEU A 105 5.510 2.714 8.235 1.00 64.01 C ATOM 1676 CD1 LEU A 105 4.733 3.934 8.728 1.00 40.52 C ATOM 1677 CD2 LEU A 105 4.636 1.954 7.237 1.00 61.25 C ATOM 0 H LEU A 105 8.950 3.901 6.720 1.00 62.33 H new ATOM 0 HA LEU A 105 7.291 4.684 8.945 1.00 1.13 H new ATOM 0 HB2 LEU A 105 6.623 3.693 6.679 1.00 32.11 H new ATOM 0 HB3 LEU A 105 7.322 2.178 7.213 1.00 32.11 H new ATOM 0 HG LEU A 105 5.753 2.099 9.102 1.00 64.01 H new ATOM 0 HD11 LEU A 105 3.804 3.609 9.196 1.00 40.52 H new ATOM 0 HD12 LEU A 105 5.335 4.479 9.456 1.00 40.52 H new ATOM 0 HD13 LEU A 105 4.506 4.586 7.884 1.00 40.52 H new ATOM 0 HD21 LEU A 105 3.692 1.685 7.711 1.00 61.25 H new ATOM 0 HD22 LEU A 105 4.440 2.585 6.370 1.00 61.25 H new ATOM 0 HD23 LEU A 105 5.152 1.049 6.917 1.00 61.25 H new ATOM 1689 N LYS A 106 7.708 2.917 10.726 1.00 1.22 N ATOM 1690 CA LYS A 106 8.036 1.979 11.802 1.00 74.43 C ATOM 1691 C LYS A 106 7.179 0.724 11.666 1.00 14.41 C ATOM 1692 O LYS A 106 7.696 -0.384 11.773 1.00 23.32 O ATOM 1693 CB LYS A 106 7.834 2.615 13.171 1.00 44.04 C ATOM 1694 CG LYS A 106 8.625 3.922 13.278 1.00 45.14 C ATOM 1695 CD LYS A 106 8.852 4.294 14.735 1.00 43.15 C ATOM 1696 CE LYS A 106 7.569 4.711 15.474 1.00 62.03 C ATOM 1697 NZ LYS A 106 6.759 3.579 15.988 1.00 1.15 N ATOM 0 H LYS A 106 6.927 3.535 10.944 1.00 1.22 H new ATOM 0 HA LYS A 106 9.089 1.709 11.716 1.00 74.43 H new ATOM 0 HB2 LYS A 106 6.774 2.810 13.335 1.00 44.04 H new ATOM 0 HB3 LYS A 106 8.155 1.924 13.950 1.00 44.04 H new ATOM 0 HG2 LYS A 106 9.584 3.815 12.771 1.00 45.14 H new ATOM 0 HG3 LYS A 106 8.085 4.723 12.773 1.00 45.14 H new ATOM 0 HD2 LYS A 106 9.299 3.445 15.252 1.00 43.15 H new ATOM 0 HD3 LYS A 106 9.571 5.112 14.784 1.00 43.15 H new ATOM 0 HE2 LYS A 106 7.840 5.356 16.310 1.00 62.03 H new ATOM 0 HE3 LYS A 106 6.953 5.305 14.799 1.00 62.03 H new ATOM 0 HZ1 LYS A 106 5.837 3.566 15.508 1.00 1.15 H new ATOM 0 HZ2 LYS A 106 7.257 2.685 15.805 1.00 1.15 H new ATOM 0 HZ3 LYS A 106 6.615 3.692 17.012 1.00 1.15 H new ATOM 1711 N ALA A 107 5.875 0.925 11.463 1.00 72.04 N ATOM 1712 CA ALA A 107 4.858 -0.104 11.413 1.00 51.33 C ATOM 1713 C ALA A 107 5.190 -1.089 10.293 1.00 65.11 C ATOM 1714 O ALA A 107 5.670 -0.674 9.231 1.00 23.20 O ATOM 1715 CB ALA A 107 3.476 0.530 11.190 1.00 63.11 C ATOM 0 H ALA A 107 5.490 1.859 11.323 1.00 72.04 H new ATOM 0 HA ALA A 107 4.835 -0.642 12.361 1.00 51.33 H new ATOM 0 HB1 ALA A 107 2.718 -0.253 11.154 1.00 63.11 H new ATOM 0 HB2 ALA A 107 3.253 1.214 12.009 1.00 63.11 H new ATOM 0 HB3 ALA A 107 3.475 1.079 10.249 1.00 63.11 H new ATOM 1721 N PRO A 108 4.897 -2.377 10.500 1.00 63.42 N ATOM 1722 CA PRO A 108 5.234 -3.408 9.543 1.00 13.12 C ATOM 1723 C PRO A 108 4.279 -3.322 8.354 1.00 13.13 C ATOM 1724 O PRO A 108 3.075 -3.549 8.487 1.00 13.55 O ATOM 1725 CB PRO A 108 5.122 -4.713 10.318 1.00 11.32 C ATOM 1726 CG PRO A 108 4.066 -4.420 11.384 1.00 54.31 C ATOM 1727 CD PRO A 108 4.275 -2.944 11.690 1.00 62.23 C ATOM 0 HA PRO A 108 6.235 -3.313 9.122 1.00 13.12 H new ATOM 0 HB2 PRO A 108 4.819 -5.537 9.671 1.00 11.32 H new ATOM 0 HB3 PRO A 108 6.075 -4.994 10.767 1.00 11.32 H new ATOM 0 HG2 PRO A 108 3.059 -4.616 11.016 1.00 54.31 H new ATOM 0 HG3 PRO A 108 4.207 -5.038 12.270 1.00 54.31 H new ATOM 0 HD2 PRO A 108 3.327 -2.452 11.908 1.00 62.23 H new ATOM 0 HD3 PRO A 108 4.912 -2.812 12.565 1.00 62.23 H new ATOM 1735 N ALA A 109 4.813 -2.970 7.189 1.00 40.40 N ATOM 1736 CA ALA A 109 4.084 -2.934 5.943 1.00 25.11 C ATOM 1737 C ALA A 109 4.669 -4.033 5.076 1.00 2.14 C ATOM 1738 O ALA A 109 5.862 -4.007 4.775 1.00 55.44 O ATOM 1739 CB ALA A 109 4.231 -1.566 5.278 1.00 2.32 C ATOM 0 H ALA A 109 5.791 -2.696 7.091 1.00 40.40 H new ATOM 0 HA ALA A 109 3.017 -3.092 6.099 1.00 25.11 H new ATOM 0 HB1 ALA A 109 3.676 -1.556 4.340 1.00 2.32 H new ATOM 0 HB2 ALA A 109 3.838 -0.795 5.941 1.00 2.32 H new ATOM 0 HB3 ALA A 109 5.284 -1.370 5.078 1.00 2.32 H new ATOM 1745 N VAL A 110 3.851 -4.998 4.688 1.00 2.42 N ATOM 1746 CA VAL A 110 4.206 -5.930 3.626 1.00 14.24 C ATOM 1747 C VAL A 110 4.242 -5.111 2.320 1.00 21.11 C ATOM 1748 O VAL A 110 3.438 -4.184 2.152 1.00 70.24 O ATOM 1749 CB VAL A 110 3.206 -7.107 3.649 1.00 41.22 C ATOM 1750 CG1 VAL A 110 3.465 -8.147 2.549 1.00 44.50 C ATOM 1751 CG2 VAL A 110 3.230 -7.812 5.023 1.00 11.40 C ATOM 0 H VAL A 110 2.930 -5.158 5.095 1.00 2.42 H new ATOM 0 HA VAL A 110 5.186 -6.392 3.743 1.00 14.24 H new ATOM 0 HB VAL A 110 2.226 -6.669 3.462 1.00 41.22 H new ATOM 0 HG11 VAL A 110 2.727 -8.946 2.623 1.00 44.50 H new ATOM 0 HG12 VAL A 110 3.387 -7.670 1.572 1.00 44.50 H new ATOM 0 HG13 VAL A 110 4.465 -8.564 2.671 1.00 44.50 H new ATOM 0 HG21 VAL A 110 2.519 -8.638 5.020 1.00 11.40 H new ATOM 0 HG22 VAL A 110 4.232 -8.195 5.218 1.00 11.40 H new ATOM 0 HG23 VAL A 110 2.956 -7.100 5.802 1.00 11.40 H new ATOM 1761 N VAL A 111 5.181 -5.404 1.416 1.00 2.23 N ATOM 1762 CA VAL A 111 5.428 -4.632 0.187 1.00 24.12 C ATOM 1763 C VAL A 111 5.556 -5.610 -0.988 1.00 20.40 C ATOM 1764 O VAL A 111 5.821 -6.791 -0.758 1.00 62.02 O ATOM 1765 CB VAL A 111 6.687 -3.734 0.343 1.00 52.04 C ATOM 1766 CG1 VAL A 111 6.791 -2.669 -0.765 1.00 61.34 C ATOM 1767 CG2 VAL A 111 6.779 -3.001 1.691 1.00 42.04 C ATOM 0 H VAL A 111 5.807 -6.203 1.517 1.00 2.23 H new ATOM 0 HA VAL A 111 4.593 -3.960 -0.008 1.00 24.12 H new ATOM 0 HB VAL A 111 7.510 -4.446 0.274 1.00 52.04 H new ATOM 0 HG11 VAL A 111 7.687 -2.069 -0.610 1.00 61.34 H new ATOM 0 HG12 VAL A 111 6.847 -3.159 -1.737 1.00 61.34 H new ATOM 0 HG13 VAL A 111 5.913 -2.024 -0.734 1.00 61.34 H new ATOM 0 HG21 VAL A 111 7.686 -2.398 1.716 1.00 42.04 H new ATOM 0 HG22 VAL A 111 5.910 -2.355 1.814 1.00 42.04 H new ATOM 0 HG23 VAL A 111 6.806 -3.730 2.501 1.00 42.04 H new ATOM 1777 N SER A 112 5.405 -5.144 -2.234 1.00 5.31 N ATOM 1778 CA SER A 112 5.538 -5.978 -3.422 1.00 22.13 C ATOM 1779 C SER A 112 6.382 -5.290 -4.501 1.00 42.42 C ATOM 1780 O SER A 112 6.672 -4.095 -4.409 1.00 30.13 O ATOM 1781 CB SER A 112 4.147 -6.375 -3.934 1.00 32.52 C ATOM 1782 OG SER A 112 4.203 -7.478 -4.821 1.00 30.24 O ATOM 0 H SER A 112 5.186 -4.170 -2.441 1.00 5.31 H new ATOM 0 HA SER A 112 6.073 -6.890 -3.156 1.00 22.13 H new ATOM 0 HB2 SER A 112 3.506 -6.623 -3.088 1.00 32.52 H new ATOM 0 HB3 SER A 112 3.691 -5.525 -4.441 1.00 32.52 H new ATOM 0 HG SER A 112 3.324 -7.611 -5.233 1.00 30.24 H new ATOM 1788 N VAL A 113 6.714 -6.056 -5.538 1.00 61.33 N ATOM 1789 CA VAL A 113 7.381 -5.687 -6.783 1.00 52.24 C ATOM 1790 C VAL A 113 6.767 -6.504 -7.927 1.00 33.41 C ATOM 1791 O VAL A 113 5.970 -7.416 -7.689 1.00 14.34 O ATOM 1792 CB VAL A 113 8.893 -5.983 -6.718 1.00 41.31 C ATOM 1793 CG1 VAL A 113 9.662 -5.038 -5.785 1.00 53.23 C ATOM 1794 CG2 VAL A 113 9.159 -7.447 -6.344 1.00 21.14 C ATOM 0 H VAL A 113 6.500 -7.053 -5.524 1.00 61.33 H new ATOM 0 HA VAL A 113 7.246 -4.618 -6.946 1.00 52.24 H new ATOM 0 HB VAL A 113 9.273 -5.801 -7.723 1.00 41.31 H new ATOM 0 HG11 VAL A 113 10.719 -5.304 -5.788 1.00 53.23 H new ATOM 0 HG12 VAL A 113 9.545 -4.011 -6.131 1.00 53.23 H new ATOM 0 HG13 VAL A 113 9.269 -5.127 -4.772 1.00 53.23 H new ATOM 0 HG21 VAL A 113 10.234 -7.623 -6.307 1.00 21.14 H new ATOM 0 HG22 VAL A 113 8.722 -7.658 -5.368 1.00 21.14 H new ATOM 0 HG23 VAL A 113 8.710 -8.101 -7.092 1.00 21.14 H new ATOM 1804 N SER A 114 7.218 -6.252 -9.160 1.00 75.34 N ATOM 1805 CA SER A 114 6.838 -7.018 -10.335 1.00 54.41 C ATOM 1806 C SER A 114 7.110 -8.518 -10.193 1.00 41.13 C ATOM 1807 O SER A 114 6.236 -9.327 -10.509 1.00 42.23 O ATOM 1808 CB SER A 114 7.576 -6.484 -11.571 1.00 70.14 C ATOM 1809 OG SER A 114 7.528 -5.072 -11.615 1.00 22.54 O ATOM 0 H SER A 114 7.869 -5.494 -9.365 1.00 75.34 H new ATOM 0 HA SER A 114 5.761 -6.895 -10.448 1.00 54.41 H new ATOM 0 HB2 SER A 114 8.614 -6.816 -11.552 1.00 70.14 H new ATOM 0 HB3 SER A 114 7.126 -6.896 -12.474 1.00 70.14 H new ATOM 0 HG SER A 114 8.006 -4.753 -12.409 1.00 22.54 H new ATOM 1815 N SER A 115 8.329 -8.891 -9.797 1.00 23.44 N ATOM 1816 CA SER A 115 8.879 -10.222 -10.024 1.00 35.33 C ATOM 1817 C SER A 115 9.709 -10.674 -8.821 1.00 31.01 C ATOM 1818 O SER A 115 10.296 -9.826 -8.150 1.00 62.23 O ATOM 1819 CB SER A 115 9.772 -10.171 -11.267 1.00 44.22 C ATOM 1820 OG SER A 115 9.058 -9.719 -12.401 1.00 21.04 O ATOM 0 H SER A 115 8.967 -8.267 -9.304 1.00 23.44 H new ATOM 0 HA SER A 115 8.063 -10.931 -10.166 1.00 35.33 H new ATOM 0 HB2 SER A 115 10.618 -9.509 -11.081 1.00 44.22 H new ATOM 0 HB3 SER A 115 10.180 -11.162 -11.464 1.00 44.22 H new ATOM 0 HG SER A 115 9.656 -9.696 -13.177 1.00 21.04 H new ATOM 1826 N PRO A 116 9.832 -11.987 -8.571 1.00 30.00 N ATOM 1827 CA PRO A 116 10.464 -12.522 -7.370 1.00 3.42 C ATOM 1828 C PRO A 116 11.925 -12.098 -7.230 1.00 33.21 C ATOM 1829 O PRO A 116 12.369 -11.787 -6.129 1.00 14.42 O ATOM 1830 CB PRO A 116 10.289 -14.040 -7.451 1.00 41.01 C ATOM 1831 CG PRO A 116 10.077 -14.298 -8.939 1.00 65.13 C ATOM 1832 CD PRO A 116 9.300 -13.070 -9.377 1.00 53.04 C ATOM 0 HA PRO A 116 9.995 -12.123 -6.470 1.00 3.42 H new ATOM 0 HB2 PRO A 116 11.167 -14.565 -7.074 1.00 41.01 H new ATOM 0 HB3 PRO A 116 9.437 -14.377 -6.860 1.00 41.01 H new ATOM 0 HG2 PRO A 116 11.022 -14.392 -9.473 1.00 65.13 H new ATOM 0 HG3 PRO A 116 9.518 -15.217 -9.116 1.00 65.13 H new ATOM 0 HD2 PRO A 116 9.436 -12.875 -10.441 1.00 53.04 H new ATOM 0 HD3 PRO A 116 8.231 -13.199 -9.210 1.00 53.04 H new ATOM 1840 N ASP A 117 12.677 -12.006 -8.328 1.00 53.30 N ATOM 1841 CA ASP A 117 14.078 -11.586 -8.270 1.00 23.30 C ATOM 1842 C ASP A 117 14.243 -10.182 -7.674 1.00 52.55 C ATOM 1843 O ASP A 117 15.210 -9.925 -6.955 1.00 71.43 O ATOM 1844 CB ASP A 117 14.681 -11.649 -9.679 1.00 11.11 C ATOM 1845 CG ASP A 117 16.100 -11.077 -9.749 1.00 32.24 C ATOM 1846 OD1 ASP A 117 17.044 -11.702 -9.211 1.00 62.54 O ATOM 1847 OD2 ASP A 117 16.283 -10.034 -10.413 1.00 1.21 O ATOM 0 H ASP A 117 12.340 -12.216 -9.267 1.00 53.30 H new ATOM 0 HA ASP A 117 14.609 -12.269 -7.607 1.00 23.30 H new ATOM 0 HB2 ASP A 117 14.696 -12.686 -10.016 1.00 11.11 H new ATOM 0 HB3 ASP A 117 14.039 -11.099 -10.368 1.00 11.11 H new ATOM 1852 N ALA A 118 13.271 -9.294 -7.912 1.00 62.32 N ATOM 1853 CA ALA A 118 13.338 -7.897 -7.503 1.00 30.54 C ATOM 1854 C ALA A 118 13.084 -7.717 -6.000 1.00 1.45 C ATOM 1855 O ALA A 118 13.412 -6.660 -5.456 1.00 73.13 O ATOM 1856 CB ALA A 118 12.347 -7.075 -8.338 1.00 63.42 C ATOM 0 H ALA A 118 12.408 -9.534 -8.400 1.00 62.32 H new ATOM 0 HA ALA A 118 14.350 -7.536 -7.685 1.00 30.54 H new ATOM 0 HB1 ALA A 118 12.395 -6.029 -8.034 1.00 63.42 H new ATOM 0 HB2 ALA A 118 12.604 -7.158 -9.394 1.00 63.42 H new ATOM 0 HB3 ALA A 118 11.337 -7.453 -8.180 1.00 63.42 H new ATOM 1862 N VAL A 119 12.522 -8.731 -5.331 1.00 11.54 N ATOM 1863 CA VAL A 119 12.234 -8.748 -3.902 1.00 12.14 C ATOM 1864 C VAL A 119 13.543 -8.541 -3.148 1.00 1.15 C ATOM 1865 O VAL A 119 13.632 -7.641 -2.316 1.00 31.45 O ATOM 1866 CB VAL A 119 11.515 -10.072 -3.532 1.00 24.33 C ATOM 1867 CG1 VAL A 119 11.059 -10.163 -2.057 1.00 64.23 C ATOM 1868 CG2 VAL A 119 10.247 -10.269 -4.374 1.00 72.14 C ATOM 0 H VAL A 119 12.246 -9.596 -5.796 1.00 11.54 H new ATOM 0 HA VAL A 119 11.557 -7.942 -3.620 1.00 12.14 H new ATOM 0 HB VAL A 119 12.269 -10.836 -3.723 1.00 24.33 H new ATOM 0 HG11 VAL A 119 10.566 -11.120 -1.887 1.00 64.23 H new ATOM 0 HG12 VAL A 119 11.926 -10.080 -1.402 1.00 64.23 H new ATOM 0 HG13 VAL A 119 10.362 -9.353 -1.841 1.00 64.23 H new ATOM 0 HG21 VAL A 119 9.765 -11.205 -4.092 1.00 72.14 H new ATOM 0 HG22 VAL A 119 9.561 -9.440 -4.198 1.00 72.14 H new ATOM 0 HG23 VAL A 119 10.513 -10.302 -5.430 1.00 72.14 H new ATOM 1878 N THR A 120 14.572 -9.317 -3.494 1.00 54.51 N ATOM 1879 CA THR A 120 15.912 -9.171 -2.958 1.00 24.01 C ATOM 1880 C THR A 120 16.434 -7.739 -3.142 1.00 34.11 C ATOM 1881 O THR A 120 16.915 -7.150 -2.169 1.00 50.42 O ATOM 1882 CB THR A 120 16.804 -10.231 -3.622 1.00 53.32 C ATOM 1883 OG1 THR A 120 16.424 -11.516 -3.152 1.00 13.32 O ATOM 1884 CG2 THR A 120 18.287 -10.019 -3.336 1.00 61.02 C ATOM 0 H THR A 120 14.488 -10.077 -4.169 1.00 54.51 H new ATOM 0 HA THR A 120 15.916 -9.337 -1.881 1.00 24.01 H new ATOM 0 HB THR A 120 16.663 -10.145 -4.699 1.00 53.32 H new ATOM 0 HG1 THR A 120 16.988 -12.198 -3.573 1.00 13.32 H new ATOM 0 HG21 THR A 120 18.868 -10.798 -3.831 1.00 61.02 H new ATOM 0 HG22 THR A 120 18.594 -9.043 -3.712 1.00 61.02 H new ATOM 0 HG23 THR A 120 18.460 -10.065 -2.261 1.00 61.02 H new ATOM 1892 N THR A 121 16.332 -7.183 -4.355 1.00 73.11 N ATOM 1893 CA THR A 121 16.865 -5.871 -4.694 1.00 2.34 C ATOM 1894 C THR A 121 16.252 -4.809 -3.776 1.00 64.43 C ATOM 1895 O THR A 121 16.981 -4.050 -3.132 1.00 22.02 O ATOM 1896 CB THR A 121 16.550 -5.549 -6.166 1.00 63.24 C ATOM 1897 OG1 THR A 121 16.572 -6.691 -7.000 1.00 41.21 O ATOM 1898 CG2 THR A 121 17.464 -4.471 -6.749 1.00 33.33 C ATOM 0 H THR A 121 15.868 -7.645 -5.137 1.00 73.11 H new ATOM 0 HA THR A 121 17.946 -5.873 -4.556 1.00 2.34 H new ATOM 0 HB THR A 121 15.532 -5.161 -6.148 1.00 63.24 H new ATOM 0 HG1 THR A 121 16.364 -6.428 -7.921 1.00 41.21 H new ATOM 0 HG21 THR A 121 17.193 -4.288 -7.789 1.00 33.33 H new ATOM 0 HG22 THR A 121 17.351 -3.550 -6.177 1.00 33.33 H new ATOM 0 HG23 THR A 121 18.500 -4.806 -6.697 1.00 33.33 H new ATOM 1906 N TYR A 122 14.915 -4.768 -3.726 1.00 11.30 N ATOM 1907 CA TYR A 122 14.165 -3.779 -2.970 1.00 23.42 C ATOM 1908 C TYR A 122 14.483 -3.925 -1.484 1.00 73.32 C ATOM 1909 O TYR A 122 14.788 -2.933 -0.829 1.00 20.23 O ATOM 1910 CB TYR A 122 12.664 -3.927 -3.261 1.00 52.54 C ATOM 1911 CG TYR A 122 11.795 -2.806 -2.702 1.00 51.24 C ATOM 1912 CD1 TYR A 122 11.459 -2.775 -1.334 1.00 63.13 C ATOM 1913 CD2 TYR A 122 11.311 -1.789 -3.552 1.00 64.12 C ATOM 1914 CE1 TYR A 122 10.629 -1.760 -0.825 1.00 62.21 C ATOM 1915 CE2 TYR A 122 10.504 -0.753 -3.047 1.00 15.15 C ATOM 1916 CZ TYR A 122 10.151 -0.742 -1.677 1.00 42.14 C ATOM 1917 OH TYR A 122 9.359 0.240 -1.164 1.00 33.21 O ATOM 0 H TYR A 122 14.322 -5.435 -4.220 1.00 11.30 H new ATOM 0 HA TYR A 122 14.456 -2.774 -3.274 1.00 23.42 H new ATOM 0 HB2 TYR A 122 12.520 -3.977 -4.340 1.00 52.54 H new ATOM 0 HB3 TYR A 122 12.319 -4.876 -2.849 1.00 52.54 H new ATOM 0 HD1 TYR A 122 11.842 -3.537 -0.671 1.00 63.13 H new ATOM 0 HD2 TYR A 122 11.563 -1.806 -4.602 1.00 64.12 H new ATOM 0 HE1 TYR A 122 10.357 -1.760 0.220 1.00 62.21 H new ATOM 0 HE2 TYR A 122 10.155 0.031 -3.703 1.00 15.15 H new ATOM 0 HH TYR A 122 9.410 1.034 -1.736 1.00 33.21 H new ATOM 1927 N ASN A 123 14.443 -5.151 -0.950 1.00 54.12 N ATOM 1928 CA ASN A 123 14.668 -5.392 0.474 1.00 45.03 C ATOM 1929 C ASN A 123 16.087 -4.995 0.889 1.00 24.32 C ATOM 1930 O ASN A 123 16.287 -4.535 2.006 1.00 50.23 O ATOM 1931 CB ASN A 123 14.414 -6.865 0.818 1.00 23.11 C ATOM 1932 CG ASN A 123 13.946 -7.080 2.251 1.00 70.31 C ATOM 1933 OD1 ASN A 123 14.005 -6.209 3.117 1.00 14.34 O ATOM 1934 ND2 ASN A 123 13.403 -8.254 2.525 1.00 70.31 N ATOM 0 H ASN A 123 14.255 -5.996 -1.490 1.00 54.12 H new ATOM 0 HA ASN A 123 13.964 -4.771 1.029 1.00 45.03 H new ATOM 0 HB2 ASN A 123 13.665 -7.266 0.135 1.00 23.11 H new ATOM 0 HB3 ASN A 123 15.330 -7.432 0.654 1.00 23.11 H new ATOM 0 HD21 ASN A 123 13.032 -8.439 3.457 1.00 70.31 H new ATOM 0 HD22 ASN A 123 13.355 -8.975 1.805 1.00 70.31 H new ATOM 1941 N GLY A 124 17.078 -5.098 -0.003 1.00 44.22 N ATOM 1942 CA GLY A 124 18.423 -4.605 0.279 1.00 74.40 C ATOM 1943 C GLY A 124 18.419 -3.098 0.553 1.00 63.41 C ATOM 1944 O GLY A 124 19.073 -2.635 1.491 1.00 44.35 O ATOM 0 H GLY A 124 16.970 -5.519 -0.926 1.00 44.22 H new ATOM 0 HA2 GLY A 124 18.832 -5.132 1.141 1.00 74.40 H new ATOM 0 HA3 GLY A 124 19.076 -4.821 -0.566 1.00 74.40 H new ATOM 1948 N TYR A 125 17.641 -2.326 -0.216 1.00 63.32 N ATOM 1949 CA TYR A 125 17.545 -0.879 -0.048 1.00 73.44 C ATOM 1950 C TYR A 125 16.953 -0.474 1.303 1.00 41.22 C ATOM 1951 O TYR A 125 17.130 0.678 1.697 1.00 43.13 O ATOM 1952 CB TYR A 125 16.716 -0.242 -1.168 1.00 13.01 C ATOM 1953 CG TYR A 125 17.224 -0.441 -2.583 1.00 43.21 C ATOM 1954 CD1 TYR A 125 18.594 -0.308 -2.888 1.00 52.02 C ATOM 1955 CD2 TYR A 125 16.305 -0.701 -3.616 1.00 1.23 C ATOM 1956 CE1 TYR A 125 19.046 -0.498 -4.205 1.00 64.11 C ATOM 1957 CE2 TYR A 125 16.753 -0.854 -4.937 1.00 71.42 C ATOM 1958 CZ TYR A 125 18.128 -0.782 -5.234 1.00 51.53 C ATOM 1959 OH TYR A 125 18.568 -0.974 -6.507 1.00 20.55 O ATOM 0 H TYR A 125 17.062 -2.692 -0.972 1.00 63.32 H new ATOM 0 HA TYR A 125 18.570 -0.510 -0.092 1.00 73.44 H new ATOM 0 HB2 TYR A 125 15.703 -0.639 -1.110 1.00 13.01 H new ATOM 0 HB3 TYR A 125 16.650 0.829 -0.977 1.00 13.01 H new ATOM 0 HD1 TYR A 125 19.298 -0.059 -2.108 1.00 52.02 H new ATOM 0 HD2 TYR A 125 15.252 -0.783 -3.392 1.00 1.23 H new ATOM 0 HE1 TYR A 125 20.100 -0.426 -4.428 1.00 64.11 H new ATOM 0 HE2 TYR A 125 16.040 -1.028 -5.730 1.00 71.42 H new ATOM 0 HH TYR A 125 17.805 -1.161 -7.092 1.00 20.55 H new ATOM 1969 N LEU A 126 16.263 -1.355 2.037 1.00 14.44 N ATOM 1970 CA LEU A 126 15.704 -1.038 3.361 1.00 64.24 C ATOM 1971 C LEU A 126 16.786 -0.638 4.370 1.00 43.04 C ATOM 1972 O LEU A 126 16.457 -0.022 5.381 1.00 24.54 O ATOM 1973 CB LEU A 126 14.859 -2.206 3.906 1.00 64.42 C ATOM 1974 CG LEU A 126 13.378 -2.226 3.482 1.00 50.55 C ATOM 1975 CD1 LEU A 126 12.546 -1.355 4.425 1.00 21.40 C ATOM 1976 CD2 LEU A 126 13.102 -1.784 2.045 1.00 54.10 C ATOM 0 H LEU A 126 16.075 -2.310 1.731 1.00 14.44 H new ATOM 0 HA LEU A 126 15.053 -0.175 3.225 1.00 64.24 H new ATOM 0 HB2 LEU A 126 15.320 -3.141 3.587 1.00 64.42 H new ATOM 0 HB3 LEU A 126 14.904 -2.183 4.995 1.00 64.42 H new ATOM 0 HG LEU A 126 13.093 -3.276 3.540 1.00 50.55 H new ATOM 0 HD11 LEU A 126 11.501 -1.378 4.114 1.00 21.40 H new ATOM 0 HD12 LEU A 126 12.630 -1.737 5.442 1.00 21.40 H new ATOM 0 HD13 LEU A 126 12.912 -0.329 4.391 1.00 21.40 H new ATOM 0 HD21 LEU A 126 12.031 -1.834 1.848 1.00 54.10 H new ATOM 0 HD22 LEU A 126 13.449 -0.760 1.906 1.00 54.10 H new ATOM 0 HD23 LEU A 126 13.629 -2.442 1.354 1.00 54.10 H new