USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=35 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 6 THR OG1 : rot 81:sc= 1.16 USER MOD Set 1.2: A 123 ASN : amide:sc= 0.92 K(o=2.1,f=-4.2!) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.965 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 158:sc= 1.33 (180deg=0.878) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -158:sc= 1.08 (180deg=-0.462) USER MOD Set 3.2: A 42 TYR OH : rot -8:sc= 0.337 USER MOD Set 4.1: A 35 MET CE :methyl -149:sc= -1.28! (180deg=-2.69!) USER MOD Set 4.2: A 39 GLN : amide:sc= -0.119 X(o=-1.4,f=-1.2) USER MOD Set 5.1: A 14 MET CE :methyl -141:sc= 0 (180deg=-0.764) USER MOD Set 5.2: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 84 MET CE :methyl -166:sc= 0 (180deg=-0.0208) USER MOD Single : A 8 SER OG : rot 60:sc= 1.28 USER MOD Single : A 10 ASN : amide:sc= 0.642 K(o=0.64,f=-6.2!) USER MOD Single : A 17 HIS : no HD1:sc= -0.969 K(o=-0.97,f=-0.054) USER MOD Single : A 21 THR OG1 : rot -77:sc= 0.239 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0414) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.00329 USER MOD Single : A 29 MET CE :methyl -156:sc= 0 (180deg=-1.18) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 63 SER OG : rot -137:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 1.31 (180deg=1.04) USER MOD Single : A 72 THR OG1 : rot 89:sc= 0.221 USER MOD Single : A 75 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.24) USER MOD Single : A 83 THR OG1 : rot 150:sc= 1.21 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 70:sc= 0.583 USER MOD Single : A 91 HIS : no HE2:sc= -0.0178 K(o=-0.018,f=-2.5!) USER MOD Single : A 94 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.0016) USER MOD Single : A 101 CYS SG : rot -168:sc= 0.755 USER MOD Single : A 102 MET CE :methyl 179:sc= 0 (180deg=-0.00241) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -174:sc= 0.894 USER MOD Single : A 114 SER OG : rot 180:sc= 0.048 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= 0.0602 USER MOD Single : A 122 TYR OH : rot 147:sc= 1.02 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.788 -8.808 5.014 1.00 75.43 N ATOM 54 CA GLY A 5 8.744 -7.760 4.697 1.00 34.41 C ATOM 55 C GLY A 5 8.536 -7.215 3.297 1.00 54.12 C ATOM 56 O GLY A 5 7.774 -6.262 3.093 1.00 50.45 O ATOM 0 HA2 GLY A 5 8.649 -6.950 5.420 1.00 34.41 H new ATOM 0 HA3 GLY A 5 9.757 -8.152 4.788 1.00 34.41 H new ATOM 60 N THR A 6 9.155 -7.873 2.332 1.00 54.40 N ATOM 61 CA THR A 6 8.869 -7.729 0.904 1.00 12.54 C ATOM 62 C THR A 6 8.555 -9.110 0.324 1.00 20.34 C ATOM 63 O THR A 6 9.177 -10.096 0.717 1.00 65.24 O ATOM 64 CB THR A 6 10.017 -7.026 0.162 1.00 60.12 C ATOM 65 OG1 THR A 6 10.442 -5.895 0.900 1.00 33.14 O ATOM 66 CG2 THR A 6 9.583 -6.532 -1.221 1.00 33.10 C ATOM 0 H THR A 6 9.897 -8.547 2.521 1.00 54.40 H new ATOM 0 HA THR A 6 7.998 -7.087 0.769 1.00 12.54 H new ATOM 0 HB THR A 6 10.819 -7.756 0.051 1.00 60.12 H new ATOM 0 HG1 THR A 6 11.045 -6.180 1.618 1.00 33.14 H new ATOM 0 HG21 THR A 6 10.423 -6.041 -1.712 1.00 33.10 H new ATOM 0 HG22 THR A 6 9.255 -7.379 -1.823 1.00 33.10 H new ATOM 0 HG23 THR A 6 8.762 -5.824 -1.113 1.00 33.10 H new ATOM 74 N VAL A 7 7.616 -9.171 -0.620 1.00 51.24 N ATOM 75 CA VAL A 7 7.200 -10.364 -1.354 1.00 5.13 C ATOM 76 C VAL A 7 6.900 -9.975 -2.809 1.00 75.34 C ATOM 77 O VAL A 7 7.044 -8.807 -3.173 1.00 4.13 O ATOM 78 CB VAL A 7 5.979 -11.007 -0.670 1.00 12.23 C ATOM 79 CG1 VAL A 7 6.268 -11.488 0.764 1.00 61.04 C ATOM 80 CG2 VAL A 7 4.764 -10.061 -0.635 1.00 43.23 C ATOM 0 H VAL A 7 7.097 -8.342 -0.909 1.00 51.24 H new ATOM 0 HA VAL A 7 7.999 -11.105 -1.353 1.00 5.13 H new ATOM 0 HB VAL A 7 5.748 -11.876 -1.286 1.00 12.23 H new ATOM 0 HG11 VAL A 7 5.367 -11.931 1.188 1.00 61.04 H new ATOM 0 HG12 VAL A 7 7.063 -12.233 0.745 1.00 61.04 H new ATOM 0 HG13 VAL A 7 6.579 -10.641 1.376 1.00 61.04 H new ATOM 0 HG21 VAL A 7 3.929 -10.560 -0.143 1.00 43.23 H new ATOM 0 HG22 VAL A 7 5.023 -9.157 -0.084 1.00 43.23 H new ATOM 0 HG23 VAL A 7 4.480 -9.796 -1.653 1.00 43.23 H new ATOM 90 N SER A 8 6.438 -10.911 -3.643 1.00 50.00 N ATOM 91 CA SER A 8 5.829 -10.605 -4.931 1.00 1.23 C ATOM 92 C SER A 8 4.488 -11.318 -4.926 1.00 63.44 C ATOM 93 O SER A 8 4.439 -12.549 -4.890 1.00 60.22 O ATOM 94 CB SER A 8 6.735 -11.013 -6.103 1.00 54.23 C ATOM 95 OG SER A 8 6.131 -10.680 -7.343 1.00 61.42 O ATOM 0 H SER A 8 6.479 -11.909 -3.437 1.00 50.00 H new ATOM 0 HA SER A 8 5.688 -9.533 -5.072 1.00 1.23 H new ATOM 0 HB2 SER A 8 7.699 -10.511 -6.016 1.00 54.23 H new ATOM 0 HB3 SER A 8 6.929 -12.085 -6.063 1.00 54.23 H new ATOM 0 HG SER A 8 5.974 -9.713 -7.381 1.00 61.42 H new ATOM 101 N TRP A 9 3.416 -10.538 -4.886 1.00 45.11 N ATOM 102 CA TRP A 9 2.032 -10.971 -4.867 1.00 71.03 C ATOM 103 C TRP A 9 1.277 -10.132 -5.892 1.00 75.52 C ATOM 104 O TRP A 9 1.611 -8.968 -6.136 1.00 31.34 O ATOM 105 CB TRP A 9 1.437 -10.726 -3.473 1.00 61.54 C ATOM 106 CG TRP A 9 1.845 -11.620 -2.344 1.00 21.31 C ATOM 107 CD1 TRP A 9 2.465 -12.820 -2.420 1.00 34.21 C ATOM 108 CD2 TRP A 9 1.626 -11.381 -0.927 1.00 5.53 C ATOM 109 NE1 TRP A 9 2.655 -13.330 -1.151 1.00 33.53 N ATOM 110 CE2 TRP A 9 2.198 -12.458 -0.187 1.00 52.24 C ATOM 111 CE3 TRP A 9 1.036 -10.331 -0.194 1.00 44.04 C ATOM 112 CZ2 TRP A 9 2.240 -12.460 1.214 1.00 64.34 C ATOM 113 CZ3 TRP A 9 1.066 -10.334 1.206 1.00 22.41 C ATOM 114 CH2 TRP A 9 1.682 -11.380 1.914 1.00 50.25 C ATOM 0 H TRP A 9 3.499 -9.522 -4.865 1.00 45.11 H new ATOM 0 HA TRP A 9 1.957 -12.033 -5.101 1.00 71.03 H new ATOM 0 HB2 TRP A 9 1.679 -9.703 -3.187 1.00 61.54 H new ATOM 0 HB3 TRP A 9 0.352 -10.783 -3.563 1.00 61.54 H new ATOM 0 HD1 TRP A 9 2.766 -13.306 -3.336 1.00 34.21 H new ATOM 0 HE1 TRP A 9 3.079 -14.236 -0.953 1.00 33.53 H new ATOM 0 HE3 TRP A 9 0.556 -9.517 -0.717 1.00 44.04 H new ATOM 0 HZ2 TRP A 9 2.696 -13.281 1.747 1.00 64.34 H new ATOM 0 HZ3 TRP A 9 0.609 -9.520 1.750 1.00 22.41 H new ATOM 0 HH2 TRP A 9 1.726 -11.352 2.993 1.00 50.25 H new ATOM 125 N ASN A 10 0.216 -10.702 -6.450 1.00 11.54 N ATOM 126 CA ASN A 10 -0.718 -10.018 -7.328 1.00 24.20 C ATOM 127 C ASN A 10 -1.543 -9.024 -6.514 1.00 0.52 C ATOM 128 O ASN A 10 -1.676 -9.196 -5.301 1.00 51.32 O ATOM 129 CB ASN A 10 -1.633 -11.101 -7.889 1.00 43.35 C ATOM 130 CG ASN A 10 -2.423 -10.695 -9.108 1.00 4.10 C ATOM 131 OD1 ASN A 10 -3.388 -9.938 -9.041 1.00 43.34 O ATOM 132 ND2 ASN A 10 -2.053 -11.251 -10.243 1.00 2.14 N ATOM 0 H ASN A 10 -0.023 -11.682 -6.298 1.00 11.54 H new ATOM 0 HA ASN A 10 -0.206 -9.472 -8.120 1.00 24.20 H new ATOM 0 HB2 ASN A 10 -1.029 -11.973 -8.139 1.00 43.35 H new ATOM 0 HB3 ASN A 10 -2.329 -11.409 -7.109 1.00 43.35 H new ATOM 0 HD21 ASN A 10 -2.573 -11.057 -11.099 1.00 2.14 H new ATOM 0 HD22 ASN A 10 -1.247 -11.875 -10.266 1.00 2.14 H new ATOM 139 N LEU A 11 -2.217 -8.073 -7.162 1.00 0.40 N ATOM 140 CA LEU A 11 -3.247 -7.274 -6.495 1.00 44.33 C ATOM 141 C LEU A 11 -4.306 -8.181 -5.877 1.00 24.34 C ATOM 142 O LEU A 11 -4.695 -7.955 -4.734 1.00 62.14 O ATOM 143 CB LEU A 11 -3.834 -6.232 -7.468 1.00 20.21 C ATOM 144 CG LEU A 11 -4.945 -5.306 -6.916 1.00 51.41 C ATOM 145 CD1 LEU A 11 -6.338 -5.940 -6.933 1.00 73.24 C ATOM 146 CD2 LEU A 11 -4.657 -4.724 -5.525 1.00 73.11 C ATOM 0 H LEU A 11 -2.070 -7.838 -8.143 1.00 0.40 H new ATOM 0 HA LEU A 11 -2.799 -6.714 -5.674 1.00 44.33 H new ATOM 0 HB2 LEU A 11 -3.018 -5.605 -7.827 1.00 20.21 H new ATOM 0 HB3 LEU A 11 -4.233 -6.762 -8.333 1.00 20.21 H new ATOM 0 HG LEU A 11 -4.939 -4.476 -7.622 1.00 51.41 H new ATOM 0 HD11 LEU A 11 -7.064 -5.233 -6.532 1.00 73.24 H new ATOM 0 HD12 LEU A 11 -6.609 -6.197 -7.957 1.00 73.24 H new ATOM 0 HD13 LEU A 11 -6.334 -6.843 -6.322 1.00 73.24 H new ATOM 0 HD21 LEU A 11 -5.487 -4.088 -5.218 1.00 73.11 H new ATOM 0 HD22 LEU A 11 -4.537 -5.536 -4.808 1.00 73.11 H new ATOM 0 HD23 LEU A 11 -3.742 -4.133 -5.560 1.00 73.11 H new ATOM 158 N ARG A 12 -4.767 -9.214 -6.590 1.00 25.25 N ATOM 159 CA ARG A 12 -5.762 -10.123 -6.023 1.00 63.33 C ATOM 160 C ARG A 12 -5.208 -10.858 -4.815 1.00 51.03 C ATOM 161 O ARG A 12 -5.931 -10.984 -3.832 1.00 44.14 O ATOM 162 CB ARG A 12 -6.270 -11.129 -7.074 1.00 31.42 C ATOM 163 CG ARG A 12 -7.648 -10.777 -7.638 1.00 44.44 C ATOM 164 CD ARG A 12 -7.652 -9.347 -8.183 1.00 73.20 C ATOM 165 NE ARG A 12 -8.581 -9.151 -9.311 1.00 2.10 N ATOM 166 CZ ARG A 12 -8.261 -8.496 -10.435 1.00 73.34 C ATOM 167 NH1 ARG A 12 -6.999 -8.203 -10.716 1.00 51.54 N ATOM 168 NH2 ARG A 12 -9.197 -8.104 -11.287 1.00 62.01 N ATOM 0 H ARG A 12 -4.473 -9.437 -7.541 1.00 25.25 H new ATOM 0 HA ARG A 12 -6.607 -9.515 -5.699 1.00 63.33 H new ATOM 0 HB2 ARG A 12 -5.553 -11.180 -7.893 1.00 31.42 H new ATOM 0 HB3 ARG A 12 -6.312 -12.121 -6.625 1.00 31.42 H new ATOM 0 HG2 ARG A 12 -7.913 -11.476 -8.431 1.00 44.44 H new ATOM 0 HG3 ARG A 12 -8.404 -10.878 -6.859 1.00 44.44 H new ATOM 0 HD2 ARG A 12 -7.919 -8.661 -7.379 1.00 73.20 H new ATOM 0 HD3 ARG A 12 -6.643 -9.086 -8.503 1.00 73.20 H new ATOM 0 HE ARG A 12 -9.522 -9.536 -9.231 1.00 2.10 H new ATOM 0 HH11 ARG A 12 -6.256 -8.477 -10.073 1.00 51.54 H new ATOM 0 HH12 ARG A 12 -6.771 -7.704 -11.576 1.00 51.54 H new ATOM 0 HH21 ARG A 12 -10.179 -8.300 -11.092 1.00 62.01 H new ATOM 0 HH22 ARG A 12 -8.936 -7.606 -12.138 1.00 62.01 H new ATOM 182 N GLU A 13 -3.956 -11.308 -4.888 1.00 21.35 N ATOM 183 CA GLU A 13 -3.316 -12.022 -3.796 1.00 15.44 C ATOM 184 C GLU A 13 -3.304 -11.147 -2.552 1.00 15.41 C ATOM 185 O GLU A 13 -3.728 -11.594 -1.490 1.00 11.14 O ATOM 186 CB GLU A 13 -1.898 -12.450 -4.148 1.00 12.43 C ATOM 187 CG GLU A 13 -1.876 -13.597 -5.151 1.00 3.53 C ATOM 188 CD GLU A 13 -0.435 -13.983 -5.442 1.00 15.02 C ATOM 189 OE1 GLU A 13 0.191 -14.673 -4.609 1.00 71.43 O ATOM 190 OE2 GLU A 13 0.052 -13.574 -6.518 1.00 21.23 O ATOM 0 H GLU A 13 -3.361 -11.185 -5.708 1.00 21.35 H new ATOM 0 HA GLU A 13 -3.891 -12.928 -3.606 1.00 15.44 H new ATOM 0 HB2 GLU A 13 -1.355 -11.599 -4.559 1.00 12.43 H new ATOM 0 HB3 GLU A 13 -1.376 -12.753 -3.240 1.00 12.43 H new ATOM 0 HG2 GLU A 13 -2.421 -14.453 -4.753 1.00 3.53 H new ATOM 0 HG3 GLU A 13 -2.378 -13.300 -6.072 1.00 3.53 H new ATOM 197 N MET A 14 -2.846 -9.900 -2.696 1.00 0.01 N ATOM 198 CA MET A 14 -2.777 -8.946 -1.602 1.00 15.40 C ATOM 199 C MET A 14 -4.173 -8.648 -1.066 1.00 21.44 C ATOM 200 O MET A 14 -4.357 -8.617 0.147 1.00 65.11 O ATOM 201 CB MET A 14 -2.124 -7.635 -2.054 1.00 40.32 C ATOM 202 CG MET A 14 -0.717 -7.807 -2.628 1.00 54.33 C ATOM 203 SD MET A 14 0.540 -6.819 -1.787 1.00 71.11 S ATOM 204 CE MET A 14 0.042 -5.163 -2.305 1.00 50.44 C ATOM 0 H MET A 14 -2.512 -9.528 -3.585 1.00 0.01 H new ATOM 0 HA MET A 14 -2.170 -9.392 -0.814 1.00 15.40 H new ATOM 0 HB2 MET A 14 -2.758 -7.166 -2.807 1.00 40.32 H new ATOM 0 HB3 MET A 14 -2.078 -6.952 -1.206 1.00 40.32 H new ATOM 0 HG2 MET A 14 -0.437 -8.859 -2.570 1.00 54.33 H new ATOM 0 HG3 MET A 14 -0.730 -7.538 -3.684 1.00 54.33 H new ATOM 0 HE1 MET A 14 0.929 -4.563 -2.509 1.00 50.44 H new ATOM 0 HE2 MET A 14 -0.565 -5.231 -3.207 1.00 50.44 H new ATOM 0 HE3 MET A 14 -0.539 -4.693 -1.511 1.00 50.44 H new ATOM 214 N LEU A 15 -5.148 -8.419 -1.951 1.00 51.24 N ATOM 215 CA LEU A 15 -6.499 -8.050 -1.564 1.00 53.35 C ATOM 216 C LEU A 15 -7.125 -9.161 -0.725 1.00 24.42 C ATOM 217 O LEU A 15 -7.678 -8.883 0.338 1.00 54.43 O ATOM 218 CB LEU A 15 -7.344 -7.715 -2.807 1.00 54.03 C ATOM 219 CG LEU A 15 -8.654 -6.979 -2.445 1.00 31.22 C ATOM 220 CD1 LEU A 15 -8.660 -5.555 -3.015 1.00 13.31 C ATOM 221 CD2 LEU A 15 -9.890 -7.682 -3.005 1.00 23.14 C ATOM 0 H LEU A 15 -5.014 -8.487 -2.960 1.00 51.24 H new ATOM 0 HA LEU A 15 -6.465 -7.151 -0.948 1.00 53.35 H new ATOM 0 HB2 LEU A 15 -6.758 -7.096 -3.486 1.00 54.03 H new ATOM 0 HB3 LEU A 15 -7.582 -8.635 -3.340 1.00 54.03 H new ATOM 0 HG LEU A 15 -8.693 -6.970 -1.356 1.00 31.22 H new ATOM 0 HD11 LEU A 15 -9.593 -5.059 -2.746 1.00 13.31 H new ATOM 0 HD12 LEU A 15 -7.820 -4.995 -2.604 1.00 13.31 H new ATOM 0 HD13 LEU A 15 -8.572 -5.597 -4.101 1.00 13.31 H new ATOM 0 HD21 LEU A 15 -10.784 -7.126 -2.723 1.00 23.14 H new ATOM 0 HD22 LEU A 15 -9.820 -7.730 -4.092 1.00 23.14 H new ATOM 0 HD23 LEU A 15 -9.949 -8.692 -2.600 1.00 23.14 H new ATOM 233 N ALA A 16 -7.021 -10.400 -1.209 1.00 71.44 N ATOM 234 CA ALA A 16 -7.564 -11.591 -0.579 1.00 51.52 C ATOM 235 C ALA A 16 -6.822 -11.920 0.727 1.00 31.32 C ATOM 236 O ALA A 16 -7.455 -12.266 1.726 1.00 51.10 O ATOM 237 CB ALA A 16 -7.446 -12.730 -1.599 1.00 31.02 C ATOM 0 H ALA A 16 -6.537 -10.602 -2.084 1.00 71.44 H new ATOM 0 HA ALA A 16 -8.607 -11.438 -0.300 1.00 51.52 H new ATOM 0 HB1 ALA A 16 -7.844 -13.648 -1.167 1.00 31.02 H new ATOM 0 HB2 ALA A 16 -8.012 -12.476 -2.495 1.00 31.02 H new ATOM 0 HB3 ALA A 16 -6.398 -12.877 -1.861 1.00 31.02 H new ATOM 243 N HIS A 17 -5.492 -11.773 0.752 1.00 21.21 N ATOM 244 CA HIS A 17 -4.686 -11.944 1.958 1.00 62.35 C ATOM 245 C HIS A 17 -5.116 -10.930 3.015 1.00 23.21 C ATOM 246 O HIS A 17 -5.289 -11.276 4.178 1.00 15.11 O ATOM 247 CB HIS A 17 -3.195 -11.768 1.626 1.00 32.34 C ATOM 248 CG HIS A 17 -2.277 -11.952 2.809 1.00 0.22 C ATOM 249 ND1 HIS A 17 -2.212 -13.048 3.638 1.00 54.12 N ATOM 250 CD2 HIS A 17 -1.344 -11.056 3.247 1.00 52.40 C ATOM 251 CE1 HIS A 17 -1.245 -12.829 4.539 1.00 23.24 C ATOM 252 NE2 HIS A 17 -0.697 -11.612 4.359 1.00 20.55 N ATOM 0 H HIS A 17 -4.944 -11.530 -0.073 1.00 21.21 H new ATOM 0 HA HIS A 17 -4.839 -12.950 2.350 1.00 62.35 H new ATOM 0 HB2 HIS A 17 -2.919 -12.483 0.851 1.00 32.34 H new ATOM 0 HB3 HIS A 17 -3.041 -10.772 1.211 1.00 32.34 H new ATOM 0 HD2 HIS A 17 -1.140 -10.088 2.813 1.00 52.40 H new ATOM 0 HE1 HIS A 17 -0.946 -13.531 5.304 1.00 23.24 H new ATOM 0 HE2 HIS A 17 0.040 -11.182 4.919 1.00 20.55 H new ATOM 260 N ALA A 18 -5.306 -9.671 2.623 1.00 13.32 N ATOM 261 CA ALA A 18 -5.662 -8.602 3.536 1.00 40.43 C ATOM 262 C ALA A 18 -7.095 -8.769 4.042 1.00 34.21 C ATOM 263 O ALA A 18 -7.371 -8.427 5.191 1.00 65.43 O ATOM 264 CB ALA A 18 -5.483 -7.269 2.815 1.00 21.52 C ATOM 0 H ALA A 18 -5.215 -9.369 1.653 1.00 13.32 H new ATOM 0 HA ALA A 18 -5.011 -8.633 4.410 1.00 40.43 H new ATOM 0 HB1 ALA A 18 -5.747 -6.453 3.488 1.00 21.52 H new ATOM 0 HB2 ALA A 18 -4.444 -7.161 2.503 1.00 21.52 H new ATOM 0 HB3 ALA A 18 -6.130 -7.240 1.938 1.00 21.52 H new ATOM 270 N GLU A 19 -7.997 -9.309 3.216 1.00 75.55 N ATOM 271 CA GLU A 19 -9.328 -9.719 3.639 1.00 60.25 C ATOM 272 C GLU A 19 -9.227 -10.753 4.765 1.00 73.52 C ATOM 273 O GLU A 19 -9.993 -10.703 5.725 1.00 4.22 O ATOM 274 CB GLU A 19 -10.117 -10.312 2.455 1.00 22.33 C ATOM 275 CG GLU A 19 -10.930 -9.296 1.667 1.00 73.34 C ATOM 276 CD GLU A 19 -12.009 -9.992 0.840 1.00 64.23 C ATOM 277 OE1 GLU A 19 -11.718 -10.524 -0.257 1.00 20.15 O ATOM 278 OE2 GLU A 19 -13.195 -9.906 1.239 1.00 43.44 O ATOM 0 H GLU A 19 -7.816 -9.473 2.226 1.00 75.55 H new ATOM 0 HA GLU A 19 -9.858 -8.839 4.005 1.00 60.25 H new ATOM 0 HB2 GLU A 19 -9.418 -10.803 1.778 1.00 22.33 H new ATOM 0 HB3 GLU A 19 -10.789 -11.083 2.832 1.00 22.33 H new ATOM 0 HG2 GLU A 19 -11.392 -8.584 2.351 1.00 73.34 H new ATOM 0 HG3 GLU A 19 -10.272 -8.727 1.010 1.00 73.34 H new ATOM 285 N GLU A 20 -8.300 -11.706 4.640 1.00 4.24 N ATOM 286 CA GLU A 20 -8.108 -12.783 5.601 1.00 21.12 C ATOM 287 C GLU A 20 -7.480 -12.267 6.903 1.00 53.40 C ATOM 288 O GLU A 20 -7.953 -12.594 7.990 1.00 25.33 O ATOM 289 CB GLU A 20 -7.219 -13.857 4.952 1.00 15.13 C ATOM 290 CG GLU A 20 -7.216 -15.173 5.732 1.00 73.44 C ATOM 291 CD GLU A 20 -8.505 -15.990 5.600 1.00 60.23 C ATOM 292 OE1 GLU A 20 -9.472 -15.553 4.932 1.00 45.24 O ATOM 293 OE2 GLU A 20 -8.530 -17.106 6.169 1.00 32.01 O ATOM 0 H GLU A 20 -7.653 -11.747 3.853 1.00 4.24 H new ATOM 0 HA GLU A 20 -9.075 -13.210 5.865 1.00 21.12 H new ATOM 0 HB2 GLU A 20 -7.565 -14.043 3.935 1.00 15.13 H new ATOM 0 HB3 GLU A 20 -6.198 -13.481 4.878 1.00 15.13 H new ATOM 0 HG2 GLU A 20 -6.378 -15.781 5.391 1.00 73.44 H new ATOM 0 HG3 GLU A 20 -7.044 -14.956 6.786 1.00 73.44 H new ATOM 300 N THR A 21 -6.409 -11.475 6.815 1.00 24.40 N ATOM 301 CA THR A 21 -5.636 -11.058 7.980 1.00 2.14 C ATOM 302 C THR A 21 -6.166 -9.752 8.588 1.00 21.41 C ATOM 303 O THR A 21 -5.672 -9.314 9.635 1.00 63.40 O ATOM 304 CB THR A 21 -4.157 -10.942 7.596 1.00 65.13 C ATOM 305 OG1 THR A 21 -3.993 -9.927 6.626 1.00 73.43 O ATOM 306 CG2 THR A 21 -3.574 -12.263 7.085 1.00 73.33 C ATOM 0 H THR A 21 -6.056 -11.106 5.932 1.00 24.40 H new ATOM 0 HA THR A 21 -5.743 -11.818 8.754 1.00 2.14 H new ATOM 0 HB THR A 21 -3.606 -10.683 8.500 1.00 65.13 H new ATOM 0 HG1 THR A 21 -4.281 -10.261 5.751 1.00 73.43 H new ATOM 0 HG21 THR A 21 -2.524 -12.122 6.828 1.00 73.33 H new ATOM 0 HG22 THR A 21 -3.658 -13.023 7.862 1.00 73.33 H new ATOM 0 HG23 THR A 21 -4.124 -12.586 6.201 1.00 73.33 H new ATOM 314 N ARG A 22 -7.164 -9.116 7.959 1.00 20.42 N ATOM 315 CA ARG A 22 -7.820 -7.872 8.374 1.00 1.22 C ATOM 316 C ARG A 22 -6.866 -6.674 8.412 1.00 52.04 C ATOM 317 O ARG A 22 -7.181 -5.665 9.050 1.00 12.42 O ATOM 318 CB ARG A 22 -8.607 -8.080 9.687 1.00 73.53 C ATOM 319 CG ARG A 22 -9.890 -8.899 9.518 1.00 64.53 C ATOM 320 CD ARG A 22 -9.614 -10.356 9.138 1.00 33.24 C ATOM 321 NE ARG A 22 -10.757 -11.239 9.370 1.00 1.35 N ATOM 322 CZ ARG A 22 -11.061 -11.778 10.553 1.00 55.51 C ATOM 323 NH1 ARG A 22 -10.511 -11.325 11.680 1.00 33.20 N ATOM 324 NH2 ARG A 22 -11.918 -12.786 10.595 1.00 42.42 N ATOM 0 H ARG A 22 -7.558 -9.481 7.092 1.00 20.42 H new ATOM 0 HA ARG A 22 -8.548 -7.611 7.606 1.00 1.22 H new ATOM 0 HB2 ARG A 22 -7.962 -8.578 10.411 1.00 73.53 H new ATOM 0 HB3 ARG A 22 -8.862 -7.106 10.105 1.00 73.53 H new ATOM 0 HG2 ARG A 22 -10.459 -8.872 10.447 1.00 64.53 H new ATOM 0 HG3 ARG A 22 -10.512 -8.439 8.750 1.00 64.53 H new ATOM 0 HD2 ARG A 22 -9.334 -10.403 8.086 1.00 33.24 H new ATOM 0 HD3 ARG A 22 -8.761 -10.719 9.711 1.00 33.24 H new ATOM 0 HE ARG A 22 -11.360 -11.457 8.577 1.00 1.35 H new ATOM 0 HH11 ARG A 22 -9.845 -10.553 11.648 1.00 33.20 H new ATOM 0 HH12 ARG A 22 -10.756 -11.750 12.574 1.00 33.20 H new ATOM 0 HH21 ARG A 22 -12.334 -13.138 9.733 1.00 42.42 H new ATOM 0 HH22 ARG A 22 -12.162 -13.211 11.490 1.00 42.42 H new ATOM 338 N LYS A 23 -5.722 -6.770 7.728 1.00 3.43 N ATOM 339 CA LYS A 23 -4.722 -5.708 7.636 1.00 42.13 C ATOM 340 C LYS A 23 -5.305 -4.498 6.921 1.00 14.33 C ATOM 341 O LYS A 23 -6.300 -4.603 6.202 1.00 31.12 O ATOM 342 CB LYS A 23 -3.450 -6.233 6.942 1.00 40.23 C ATOM 343 CG LYS A 23 -2.383 -6.730 7.934 1.00 5.33 C ATOM 344 CD LYS A 23 -2.928 -7.632 9.054 1.00 51.31 C ATOM 345 CE LYS A 23 -1.817 -8.456 9.700 1.00 2.14 C ATOM 346 NZ LYS A 23 -2.303 -9.343 10.779 1.00 31.02 N ATOM 0 H LYS A 23 -5.462 -7.610 7.211 1.00 3.43 H new ATOM 0 HA LYS A 23 -4.439 -5.390 8.639 1.00 42.13 H new ATOM 0 HB2 LYS A 23 -3.720 -7.047 6.270 1.00 40.23 H new ATOM 0 HB3 LYS A 23 -3.025 -5.440 6.327 1.00 40.23 H new ATOM 0 HG2 LYS A 23 -1.619 -7.278 7.383 1.00 5.33 H new ATOM 0 HG3 LYS A 23 -1.894 -5.867 8.385 1.00 5.33 H new ATOM 0 HD2 LYS A 23 -3.415 -7.018 9.812 1.00 51.31 H new ATOM 0 HD3 LYS A 23 -3.688 -8.299 8.648 1.00 51.31 H new ATOM 0 HE2 LYS A 23 -1.329 -9.059 8.935 1.00 2.14 H new ATOM 0 HE3 LYS A 23 -1.062 -7.782 10.105 1.00 2.14 H new ATOM 0 HZ1 LYS A 23 -1.540 -9.502 11.468 1.00 31.02 H new ATOM 0 HZ2 LYS A 23 -3.113 -8.898 11.256 1.00 31.02 H new ATOM 0 HZ3 LYS A 23 -2.598 -10.254 10.373 1.00 31.02 H new ATOM 360 N LEU A 24 -4.665 -3.344 7.108 1.00 64.42 N ATOM 361 CA LEU A 24 -4.990 -2.140 6.354 1.00 64.23 C ATOM 362 C LEU A 24 -4.431 -2.276 4.937 1.00 51.40 C ATOM 363 O LEU A 24 -3.296 -2.736 4.777 1.00 72.53 O ATOM 364 CB LEU A 24 -4.322 -0.927 7.014 1.00 63.13 C ATOM 365 CG LEU A 24 -4.973 0.390 6.545 1.00 75.53 C ATOM 366 CD1 LEU A 24 -5.928 0.862 7.632 1.00 41.21 C ATOM 367 CD2 LEU A 24 -3.976 1.526 6.335 1.00 24.22 C ATOM 0 H LEU A 24 -3.911 -3.221 7.784 1.00 64.42 H new ATOM 0 HA LEU A 24 -6.072 -2.009 6.332 1.00 64.23 H new ATOM 0 HB2 LEU A 24 -4.401 -1.009 8.098 1.00 63.13 H new ATOM 0 HB3 LEU A 24 -3.259 -0.917 6.772 1.00 63.13 H new ATOM 0 HG LEU A 24 -5.457 0.173 5.593 1.00 75.53 H new ATOM 0 HD11 LEU A 24 -6.401 1.794 7.321 1.00 41.21 H new ATOM 0 HD12 LEU A 24 -6.694 0.104 7.798 1.00 41.21 H new ATOM 0 HD13 LEU A 24 -5.374 1.027 8.556 1.00 41.21 H new ATOM 0 HD21 LEU A 24 -4.506 2.419 6.006 1.00 24.22 H new ATOM 0 HD22 LEU A 24 -3.460 1.735 7.272 1.00 24.22 H new ATOM 0 HD23 LEU A 24 -3.248 1.236 5.577 1.00 24.22 H new ATOM 379 N MET A 25 -5.160 -1.786 3.932 1.00 30.12 N ATOM 380 CA MET A 25 -4.687 -1.727 2.555 1.00 14.30 C ATOM 381 C MET A 25 -4.592 -0.259 2.108 1.00 21.23 C ATOM 382 O MET A 25 -5.556 0.277 1.554 1.00 15.12 O ATOM 383 CB MET A 25 -5.608 -2.589 1.681 1.00 50.32 C ATOM 384 CG MET A 25 -5.177 -2.675 0.210 1.00 72.32 C ATOM 385 SD MET A 25 -4.151 -4.118 -0.201 1.00 13.01 S ATOM 386 CE MET A 25 -4.452 -4.204 -1.984 1.00 34.35 C ATOM 0 H MET A 25 -6.103 -1.417 4.056 1.00 30.12 H new ATOM 0 HA MET A 25 -3.682 -2.138 2.456 1.00 14.30 H new ATOM 0 HB2 MET A 25 -5.647 -3.596 2.096 1.00 50.32 H new ATOM 0 HB3 MET A 25 -6.619 -2.185 1.729 1.00 50.32 H new ATOM 0 HG2 MET A 25 -6.070 -2.692 -0.415 1.00 72.32 H new ATOM 0 HG3 MET A 25 -4.626 -1.770 -0.046 1.00 72.32 H new ATOM 0 HE1 MET A 25 -3.895 -5.040 -2.407 1.00 34.35 H new ATOM 0 HE2 MET A 25 -5.517 -4.347 -2.167 1.00 34.35 H new ATOM 0 HE3 MET A 25 -4.125 -3.276 -2.453 1.00 34.35 H new ATOM 396 N PRO A 26 -3.476 0.447 2.382 1.00 52.35 N ATOM 397 CA PRO A 26 -3.343 1.850 2.015 1.00 4.41 C ATOM 398 C PRO A 26 -3.064 2.026 0.508 1.00 24.32 C ATOM 399 O PRO A 26 -1.907 2.031 0.071 1.00 4.34 O ATOM 400 CB PRO A 26 -2.236 2.403 2.918 1.00 63.21 C ATOM 401 CG PRO A 26 -1.328 1.197 3.121 1.00 51.04 C ATOM 402 CD PRO A 26 -2.304 0.015 3.139 1.00 52.23 C ATOM 0 HA PRO A 26 -4.268 2.406 2.169 1.00 4.41 H new ATOM 0 HB2 PRO A 26 -1.707 3.232 2.448 1.00 63.21 H new ATOM 0 HB3 PRO A 26 -2.633 2.773 3.863 1.00 63.21 H new ATOM 0 HG2 PRO A 26 -0.599 1.103 2.316 1.00 51.04 H new ATOM 0 HG3 PRO A 26 -0.767 1.269 4.053 1.00 51.04 H new ATOM 0 HD2 PRO A 26 -1.853 -0.870 2.689 1.00 52.23 H new ATOM 0 HD3 PRO A 26 -2.576 -0.251 4.161 1.00 52.23 H new ATOM 410 N ILE A 27 -4.121 2.150 -0.296 1.00 34.12 N ATOM 411 CA ILE A 27 -4.074 2.393 -1.738 1.00 65.35 C ATOM 412 C ILE A 27 -3.671 3.857 -1.987 1.00 63.14 C ATOM 413 O ILE A 27 -3.875 4.712 -1.121 1.00 5.34 O ATOM 414 CB ILE A 27 -5.459 2.014 -2.330 1.00 4.40 C ATOM 415 CG1 ILE A 27 -5.651 0.480 -2.237 1.00 51.41 C ATOM 416 CG2 ILE A 27 -5.671 2.459 -3.792 1.00 64.52 C ATOM 417 CD1 ILE A 27 -7.117 0.050 -2.324 1.00 23.41 C ATOM 0 H ILE A 27 -5.076 2.081 0.056 1.00 34.12 H new ATOM 0 HA ILE A 27 -3.325 1.780 -2.239 1.00 65.35 H new ATOM 0 HB ILE A 27 -6.198 2.551 -1.736 1.00 4.40 H new ATOM 0 HG12 ILE A 27 -5.090 0.001 -3.039 1.00 51.41 H new ATOM 0 HG13 ILE A 27 -5.230 0.124 -1.297 1.00 51.41 H new ATOM 0 HG21 ILE A 27 -6.663 2.154 -4.125 1.00 64.52 H new ATOM 0 HG22 ILE A 27 -5.583 3.543 -3.859 1.00 64.52 H new ATOM 0 HG23 ILE A 27 -4.917 1.994 -4.427 1.00 64.52 H new ATOM 0 HD11 ILE A 27 -7.183 -1.036 -2.253 1.00 23.41 H new ATOM 0 HD12 ILE A 27 -7.678 0.502 -1.506 1.00 23.41 H new ATOM 0 HD13 ILE A 27 -7.536 0.377 -3.276 1.00 23.41 H new ATOM 429 N CYS A 28 -3.145 4.144 -3.182 1.00 33.22 N ATOM 430 CA CYS A 28 -2.765 5.449 -3.709 1.00 63.41 C ATOM 431 C CYS A 28 -3.781 5.830 -4.796 1.00 71.21 C ATOM 432 O CYS A 28 -3.962 5.078 -5.755 1.00 14.52 O ATOM 433 CB CYS A 28 -1.332 5.381 -4.284 1.00 63.51 C ATOM 434 SG CYS A 28 -0.847 3.715 -4.845 1.00 71.20 S ATOM 0 H CYS A 28 -2.961 3.403 -3.859 1.00 33.22 H new ATOM 0 HA CYS A 28 -2.770 6.205 -2.924 1.00 63.41 H new ATOM 0 HB2 CYS A 28 -1.252 6.074 -5.121 1.00 63.51 H new ATOM 0 HB3 CYS A 28 -0.628 5.718 -3.523 1.00 63.51 H new ATOM 0 HG CYS A 28 0.365 3.751 -5.313 1.00 71.20 H new ATOM 440 N MET A 29 -4.450 6.981 -4.666 1.00 42.12 N ATOM 441 CA MET A 29 -5.600 7.365 -5.486 1.00 31.50 C ATOM 442 C MET A 29 -5.188 7.657 -6.928 1.00 41.11 C ATOM 443 O MET A 29 -6.032 7.683 -7.820 1.00 65.12 O ATOM 444 CB MET A 29 -6.279 8.586 -4.841 1.00 2.24 C ATOM 445 CG MET A 29 -7.661 8.888 -5.419 1.00 11.35 C ATOM 446 SD MET A 29 -8.603 10.135 -4.492 1.00 73.14 S ATOM 447 CE MET A 29 -9.249 9.141 -3.118 1.00 50.42 C ATOM 0 H MET A 29 -4.200 7.686 -3.972 1.00 42.12 H new ATOM 0 HA MET A 29 -6.306 6.535 -5.527 1.00 31.50 H new ATOM 0 HB2 MET A 29 -6.371 8.417 -3.768 1.00 2.24 H new ATOM 0 HB3 MET A 29 -5.640 9.459 -4.972 1.00 2.24 H new ATOM 0 HG2 MET A 29 -7.545 9.228 -6.448 1.00 11.35 H new ATOM 0 HG3 MET A 29 -8.238 7.964 -5.452 1.00 11.35 H new ATOM 0 HE1 MET A 29 -10.149 9.611 -2.721 1.00 50.42 H new ATOM 0 HE2 MET A 29 -9.490 8.140 -3.475 1.00 50.42 H new ATOM 0 HE3 MET A 29 -8.497 9.075 -2.332 1.00 50.42 H new ATOM 457 N ASP A 30 -3.889 7.825 -7.162 1.00 42.03 N ATOM 458 CA ASP A 30 -3.300 8.039 -8.474 1.00 4.23 C ATOM 459 C ASP A 30 -3.540 6.838 -9.375 1.00 13.33 C ATOM 460 O ASP A 30 -3.703 6.999 -10.585 1.00 12.43 O ATOM 461 CB ASP A 30 -1.798 8.346 -8.310 1.00 41.40 C ATOM 462 CG ASP A 30 -1.309 9.510 -9.181 1.00 61.23 C ATOM 463 OD1 ASP A 30 -2.048 10.504 -9.372 1.00 74.20 O ATOM 464 OD2 ASP A 30 -0.133 9.501 -9.612 1.00 13.11 O ATOM 0 H ASP A 30 -3.196 7.815 -6.414 1.00 42.03 H new ATOM 0 HA ASP A 30 -3.776 8.893 -8.956 1.00 4.23 H new ATOM 0 HB2 ASP A 30 -1.595 8.576 -7.264 1.00 41.40 H new ATOM 0 HB3 ASP A 30 -1.224 7.453 -8.557 1.00 41.40 H new ATOM 469 N VAL A 31 -3.593 5.639 -8.793 1.00 12.41 N ATOM 470 CA VAL A 31 -3.491 4.403 -9.535 1.00 2.11 C ATOM 471 C VAL A 31 -4.890 3.892 -9.876 1.00 51.10 C ATOM 472 O VAL A 31 -5.468 3.072 -9.154 1.00 24.42 O ATOM 473 CB VAL A 31 -2.629 3.382 -8.751 1.00 53.23 C ATOM 474 CG1 VAL A 31 -2.227 2.180 -9.618 1.00 4.12 C ATOM 475 CG2 VAL A 31 -1.324 3.995 -8.221 1.00 74.52 C ATOM 0 H VAL A 31 -3.709 5.508 -7.788 1.00 12.41 H new ATOM 0 HA VAL A 31 -2.979 4.568 -10.483 1.00 2.11 H new ATOM 0 HB VAL A 31 -3.263 3.067 -7.922 1.00 53.23 H new ATOM 0 HG11 VAL A 31 -1.624 1.491 -9.027 1.00 4.12 H new ATOM 0 HG12 VAL A 31 -3.123 1.669 -9.969 1.00 4.12 H new ATOM 0 HG13 VAL A 31 -1.648 2.526 -10.474 1.00 4.12 H new ATOM 0 HG21 VAL A 31 -0.759 3.236 -7.680 1.00 74.52 H new ATOM 0 HG22 VAL A 31 -0.729 4.363 -9.057 1.00 74.52 H new ATOM 0 HG23 VAL A 31 -1.557 4.822 -7.550 1.00 74.52 H new ATOM 485 N ARG A 32 -5.438 4.368 -11.001 1.00 63.00 N ATOM 486 CA ARG A 32 -6.739 3.943 -11.493 1.00 3.35 C ATOM 487 C ARG A 32 -6.818 2.419 -11.582 1.00 21.34 C ATOM 488 O ARG A 32 -7.825 1.841 -11.186 1.00 64.11 O ATOM 489 CB ARG A 32 -7.009 4.581 -12.867 1.00 21.40 C ATOM 490 CG ARG A 32 -7.864 5.859 -12.872 1.00 52.32 C ATOM 491 CD ARG A 32 -7.211 7.068 -12.188 1.00 71.41 C ATOM 492 NE ARG A 32 -7.766 8.338 -12.701 1.00 51.23 N ATOM 493 CZ ARG A 32 -7.261 9.061 -13.714 1.00 74.22 C ATOM 494 NH1 ARG A 32 -6.176 8.655 -14.364 1.00 2.23 N ATOM 495 NH2 ARG A 32 -7.850 10.193 -14.077 1.00 65.40 N ATOM 0 H ARG A 32 -4.983 5.062 -11.593 1.00 63.00 H new ATOM 0 HA ARG A 32 -7.504 4.275 -10.791 1.00 3.35 H new ATOM 0 HB2 ARG A 32 -6.050 4.810 -13.332 1.00 21.40 H new ATOM 0 HB3 ARG A 32 -7.500 3.839 -13.497 1.00 21.40 H new ATOM 0 HG2 ARG A 32 -8.094 6.123 -13.904 1.00 52.32 H new ATOM 0 HG3 ARG A 32 -8.813 5.648 -12.378 1.00 52.32 H new ATOM 0 HD2 ARG A 32 -7.368 7.008 -11.111 1.00 71.41 H new ATOM 0 HD3 ARG A 32 -6.134 7.045 -12.355 1.00 71.41 H new ATOM 0 HE ARG A 32 -8.606 8.697 -12.246 1.00 51.23 H new ATOM 0 HH11 ARG A 32 -5.716 7.785 -14.096 1.00 2.23 H new ATOM 0 HH12 ARG A 32 -5.803 9.213 -15.132 1.00 2.23 H new ATOM 0 HH21 ARG A 32 -8.685 10.513 -13.587 1.00 65.40 H new ATOM 0 HH22 ARG A 32 -7.468 10.743 -14.846 1.00 65.40 H new ATOM 509 N ALA A 33 -5.764 1.758 -12.068 1.00 44.14 N ATOM 510 CA ALA A 33 -5.768 0.321 -12.321 1.00 2.43 C ATOM 511 C ALA A 33 -6.048 -0.505 -11.059 1.00 71.44 C ATOM 512 O ALA A 33 -6.821 -1.464 -11.113 1.00 63.23 O ATOM 513 CB ALA A 33 -4.427 -0.082 -12.934 1.00 52.23 C ATOM 0 H ALA A 33 -4.879 2.211 -12.297 1.00 44.14 H new ATOM 0 HA ALA A 33 -6.581 0.108 -13.015 1.00 2.43 H new ATOM 0 HB1 ALA A 33 -4.422 -1.155 -13.126 1.00 52.23 H new ATOM 0 HB2 ALA A 33 -4.279 0.455 -13.871 1.00 52.23 H new ATOM 0 HB3 ALA A 33 -3.622 0.166 -12.243 1.00 52.23 H new ATOM 519 N ILE A 34 -5.419 -0.153 -9.935 1.00 65.31 N ATOM 520 CA ILE A 34 -5.654 -0.793 -8.644 1.00 72.12 C ATOM 521 C ILE A 34 -7.084 -0.474 -8.223 1.00 25.42 C ATOM 522 O ILE A 34 -7.875 -1.378 -7.943 1.00 32.35 O ATOM 523 CB ILE A 34 -4.613 -0.289 -7.611 1.00 74.41 C ATOM 524 CG1 ILE A 34 -3.186 -0.777 -7.935 1.00 44.11 C ATOM 525 CG2 ILE A 34 -4.973 -0.641 -6.153 1.00 40.54 C ATOM 526 CD1 ILE A 34 -2.929 -2.276 -7.745 1.00 71.33 C ATOM 0 H ILE A 34 -4.725 0.593 -9.898 1.00 65.31 H new ATOM 0 HA ILE A 34 -5.536 -1.875 -8.709 1.00 72.12 H new ATOM 0 HB ILE A 34 -4.638 0.797 -7.697 1.00 74.41 H new ATOM 0 HG12 ILE A 34 -2.961 -0.518 -8.970 1.00 44.11 H new ATOM 0 HG13 ILE A 34 -2.484 -0.226 -7.309 1.00 44.11 H new ATOM 0 HG21 ILE A 34 -4.201 -0.258 -5.485 1.00 40.54 H new ATOM 0 HG22 ILE A 34 -5.932 -0.191 -5.896 1.00 40.54 H new ATOM 0 HG23 ILE A 34 -5.041 -1.724 -6.046 1.00 40.54 H new ATOM 0 HD11 ILE A 34 -1.894 -2.503 -8.002 1.00 71.33 H new ATOM 0 HD12 ILE A 34 -3.113 -2.548 -6.706 1.00 71.33 H new ATOM 0 HD13 ILE A 34 -3.597 -2.845 -8.392 1.00 71.33 H new ATOM 538 N MET A 35 -7.409 0.817 -8.155 1.00 52.34 N ATOM 539 CA MET A 35 -8.640 1.269 -7.536 1.00 31.03 C ATOM 540 C MET A 35 -9.882 0.757 -8.278 1.00 14.55 C ATOM 541 O MET A 35 -10.906 0.478 -7.649 1.00 50.21 O ATOM 542 CB MET A 35 -8.586 2.775 -7.386 1.00 54.13 C ATOM 543 CG MET A 35 -9.260 3.590 -8.492 1.00 5.45 C ATOM 544 SD MET A 35 -9.293 5.357 -8.131 1.00 61.31 S ATOM 545 CE MET A 35 -9.845 5.247 -6.409 1.00 2.05 C ATOM 0 H MET A 35 -6.827 1.568 -8.526 1.00 52.34 H new ATOM 0 HA MET A 35 -8.733 0.840 -6.538 1.00 31.03 H new ATOM 0 HB2 MET A 35 -9.047 3.041 -6.435 1.00 54.13 H new ATOM 0 HB3 MET A 35 -7.540 3.076 -7.328 1.00 54.13 H new ATOM 0 HG2 MET A 35 -8.733 3.425 -9.432 1.00 5.45 H new ATOM 0 HG3 MET A 35 -10.280 3.232 -8.631 1.00 5.45 H new ATOM 0 HE1 MET A 35 -10.439 6.126 -6.160 1.00 2.05 H new ATOM 0 HE2 MET A 35 -10.451 4.351 -6.278 1.00 2.05 H new ATOM 0 HE3 MET A 35 -8.977 5.198 -5.751 1.00 2.05 H new ATOM 555 N ALA A 36 -9.774 0.570 -9.596 1.00 4.02 N ATOM 556 CA ALA A 36 -10.779 -0.040 -10.443 1.00 54.14 C ATOM 557 C ALA A 36 -11.193 -1.391 -9.877 1.00 32.43 C ATOM 558 O ALA A 36 -12.385 -1.659 -9.735 1.00 14.30 O ATOM 559 CB ALA A 36 -10.216 -0.213 -11.856 1.00 12.05 C ATOM 0 H ALA A 36 -8.944 0.855 -10.116 1.00 4.02 H new ATOM 0 HA ALA A 36 -11.657 0.605 -10.480 1.00 54.14 H new ATOM 0 HB1 ALA A 36 -10.971 -0.672 -12.495 1.00 12.05 H new ATOM 0 HB2 ALA A 36 -9.942 0.761 -12.260 1.00 12.05 H new ATOM 0 HB3 ALA A 36 -9.334 -0.852 -11.820 1.00 12.05 H new ATOM 565 N THR A 37 -10.227 -2.242 -9.523 1.00 20.21 N ATOM 566 CA THR A 37 -10.533 -3.546 -8.969 1.00 71.30 C ATOM 567 C THR A 37 -11.250 -3.393 -7.632 1.00 1.41 C ATOM 568 O THR A 37 -12.174 -4.164 -7.386 1.00 65.31 O ATOM 569 CB THR A 37 -9.266 -4.411 -8.880 1.00 1.40 C ATOM 570 OG1 THR A 37 -8.750 -4.589 -10.187 1.00 4.21 O ATOM 571 CG2 THR A 37 -9.544 -5.785 -8.249 1.00 11.12 C ATOM 0 H THR A 37 -9.230 -2.044 -9.613 1.00 20.21 H new ATOM 0 HA THR A 37 -11.215 -4.073 -9.636 1.00 71.30 H new ATOM 0 HB THR A 37 -8.547 -3.899 -8.240 1.00 1.40 H new ATOM 0 HG1 THR A 37 -7.939 -5.138 -10.147 1.00 4.21 H new ATOM 0 HG21 THR A 37 -8.619 -6.360 -8.207 1.00 11.12 H new ATOM 0 HG22 THR A 37 -9.933 -5.650 -7.240 1.00 11.12 H new ATOM 0 HG23 THR A 37 -10.277 -6.321 -8.852 1.00 11.12 H new ATOM 579 N ILE A 38 -10.916 -2.405 -6.790 1.00 43.31 N ATOM 580 CA ILE A 38 -11.644 -2.234 -5.540 1.00 61.43 C ATOM 581 C ILE A 38 -13.103 -1.876 -5.829 1.00 53.32 C ATOM 582 O ILE A 38 -13.996 -2.502 -5.263 1.00 73.21 O ATOM 583 CB ILE A 38 -10.887 -1.264 -4.609 1.00 34.51 C ATOM 584 CG1 ILE A 38 -9.675 -1.970 -3.957 1.00 74.33 C ATOM 585 CG2 ILE A 38 -11.801 -0.689 -3.516 1.00 2.32 C ATOM 586 CD1 ILE A 38 -8.436 -2.141 -4.843 1.00 74.13 C ATOM 0 H ILE A 38 -10.166 -1.732 -6.951 1.00 43.31 H new ATOM 0 HA ILE A 38 -11.690 -3.170 -4.983 1.00 61.43 H new ATOM 0 HB ILE A 38 -10.536 -0.437 -5.225 1.00 34.51 H new ATOM 0 HG12 ILE A 38 -9.387 -1.407 -3.069 1.00 74.33 H new ATOM 0 HG13 ILE A 38 -9.994 -2.956 -3.619 1.00 74.33 H new ATOM 0 HG21 ILE A 38 -11.229 -0.011 -2.883 1.00 2.32 H new ATOM 0 HG22 ILE A 38 -12.624 -0.145 -3.979 1.00 2.32 H new ATOM 0 HG23 ILE A 38 -12.199 -1.503 -2.910 1.00 2.32 H new ATOM 0 HD11 ILE A 38 -7.653 -2.648 -4.279 1.00 74.13 H new ATOM 0 HD12 ILE A 38 -8.695 -2.735 -5.719 1.00 74.13 H new ATOM 0 HD13 ILE A 38 -8.078 -1.162 -5.161 1.00 74.13 H new ATOM 598 N GLN A 39 -13.353 -0.915 -6.719 1.00 3.14 N ATOM 599 CA GLN A 39 -14.702 -0.471 -7.064 1.00 1.15 C ATOM 600 C GLN A 39 -15.492 -1.521 -7.852 1.00 2.43 C ATOM 601 O GLN A 39 -16.720 -1.452 -7.917 1.00 10.22 O ATOM 602 CB GLN A 39 -14.600 0.839 -7.853 1.00 55.22 C ATOM 603 CG GLN A 39 -14.206 1.981 -6.913 1.00 55.34 C ATOM 604 CD GLN A 39 -13.969 3.277 -7.673 1.00 50.05 C ATOM 605 OE1 GLN A 39 -14.872 3.832 -8.288 1.00 30.21 O ATOM 606 NE2 GLN A 39 -12.755 3.796 -7.635 1.00 53.25 N ATOM 0 H GLN A 39 -12.618 -0.420 -7.224 1.00 3.14 H new ATOM 0 HA GLN A 39 -15.255 -0.314 -6.138 1.00 1.15 H new ATOM 0 HB2 GLN A 39 -13.861 0.739 -8.648 1.00 55.22 H new ATOM 0 HB3 GLN A 39 -15.554 1.062 -8.331 1.00 55.22 H new ATOM 0 HG2 GLN A 39 -14.992 2.131 -6.173 1.00 55.34 H new ATOM 0 HG3 GLN A 39 -13.303 1.708 -6.367 1.00 55.34 H new ATOM 0 HE21 GLN A 39 -12.014 3.322 -7.119 1.00 53.25 H new ATOM 0 HE22 GLN A 39 -12.559 4.671 -8.122 1.00 53.25 H new ATOM 615 N ARG A 40 -14.823 -2.496 -8.467 1.00 72.25 N ATOM 616 CA ARG A 40 -15.496 -3.630 -9.099 1.00 41.43 C ATOM 617 C ARG A 40 -15.797 -4.720 -8.082 1.00 73.23 C ATOM 618 O ARG A 40 -16.871 -5.319 -8.139 1.00 63.31 O ATOM 619 CB ARG A 40 -14.657 -4.168 -10.269 1.00 5.12 C ATOM 620 CG ARG A 40 -14.842 -3.265 -11.495 1.00 1.31 C ATOM 621 CD ARG A 40 -14.346 -3.930 -12.782 1.00 44.23 C ATOM 622 NE ARG A 40 -15.277 -3.634 -13.877 1.00 5.33 N ATOM 623 CZ ARG A 40 -15.463 -4.347 -14.987 1.00 34.23 C ATOM 624 NH1 ARG A 40 -14.635 -5.334 -15.298 1.00 30.42 N ATOM 625 NH2 ARG A 40 -16.480 -4.064 -15.790 1.00 4.41 N ATOM 0 H ARG A 40 -13.806 -2.522 -8.541 1.00 72.25 H new ATOM 0 HA ARG A 40 -16.450 -3.286 -9.500 1.00 41.43 H new ATOM 0 HB2 ARG A 40 -13.605 -4.205 -9.988 1.00 5.12 H new ATOM 0 HB3 ARG A 40 -14.959 -5.188 -10.507 1.00 5.12 H new ATOM 0 HG2 ARG A 40 -15.897 -3.012 -11.602 1.00 1.31 H new ATOM 0 HG3 ARG A 40 -14.304 -2.330 -11.340 1.00 1.31 H new ATOM 0 HD2 ARG A 40 -13.349 -3.567 -13.030 1.00 44.23 H new ATOM 0 HD3 ARG A 40 -14.266 -5.008 -12.640 1.00 44.23 H new ATOM 0 HE ARG A 40 -15.843 -2.791 -13.778 1.00 5.33 H new ATOM 0 HH11 ARG A 40 -13.849 -5.552 -14.686 1.00 30.42 H new ATOM 0 HH12 ARG A 40 -14.784 -5.875 -16.150 1.00 30.42 H new ATOM 0 HH21 ARG A 40 -17.117 -3.302 -15.557 1.00 4.41 H new ATOM 0 HH22 ARG A 40 -16.625 -4.608 -16.641 1.00 4.41 H new ATOM 639 N LYS A 41 -14.858 -5.011 -7.181 1.00 23.11 N ATOM 640 CA LYS A 41 -15.015 -6.056 -6.180 1.00 54.32 C ATOM 641 C LYS A 41 -16.110 -5.650 -5.205 1.00 41.54 C ATOM 642 O LYS A 41 -16.997 -6.449 -4.918 1.00 35.25 O ATOM 643 CB LYS A 41 -13.664 -6.311 -5.492 1.00 64.23 C ATOM 644 CG LYS A 41 -13.525 -7.699 -4.866 1.00 1.44 C ATOM 645 CD LYS A 41 -14.205 -7.890 -3.508 1.00 51.12 C ATOM 646 CE LYS A 41 -13.778 -9.276 -2.998 1.00 33.33 C ATOM 647 NZ LYS A 41 -13.902 -9.461 -1.537 1.00 21.11 N ATOM 0 H LYS A 41 -13.964 -4.523 -7.128 1.00 23.11 H new ATOM 0 HA LYS A 41 -15.321 -6.996 -6.640 1.00 54.32 H new ATOM 0 HB2 LYS A 41 -12.867 -6.174 -6.222 1.00 64.23 H new ATOM 0 HB3 LYS A 41 -13.518 -5.560 -4.716 1.00 64.23 H new ATOM 0 HG2 LYS A 41 -13.933 -8.433 -5.561 1.00 1.44 H new ATOM 0 HG3 LYS A 41 -12.464 -7.921 -4.754 1.00 1.44 H new ATOM 0 HD2 LYS A 41 -13.903 -7.110 -2.810 1.00 51.12 H new ATOM 0 HD3 LYS A 41 -15.289 -7.829 -3.605 1.00 51.12 H new ATOM 0 HE2 LYS A 41 -14.380 -10.034 -3.499 1.00 33.33 H new ATOM 0 HE3 LYS A 41 -12.741 -9.451 -3.286 1.00 33.33 H new ATOM 0 HZ1 LYS A 41 -13.275 -10.232 -1.230 1.00 21.11 H new ATOM 0 HZ2 LYS A 41 -13.633 -8.581 -1.052 1.00 21.11 H new ATOM 0 HZ3 LYS A 41 -14.886 -9.700 -1.300 1.00 21.11 H new ATOM 661 N TYR A 42 -16.050 -4.425 -4.687 1.00 2.52 N ATOM 662 CA TYR A 42 -16.938 -3.910 -3.672 1.00 13.21 C ATOM 663 C TYR A 42 -17.805 -2.798 -4.274 1.00 61.13 C ATOM 664 O TYR A 42 -17.309 -1.978 -5.047 1.00 12.33 O ATOM 665 CB TYR A 42 -16.104 -3.327 -2.526 1.00 34.12 C ATOM 666 CG TYR A 42 -15.220 -4.323 -1.807 1.00 73.25 C ATOM 667 CD1 TYR A 42 -15.793 -5.320 -0.996 1.00 43.30 C ATOM 668 CD2 TYR A 42 -13.824 -4.264 -1.970 1.00 23.05 C ATOM 669 CE1 TYR A 42 -14.971 -6.255 -0.345 1.00 31.15 C ATOM 670 CE2 TYR A 42 -12.992 -5.189 -1.318 1.00 53.31 C ATOM 671 CZ TYR A 42 -13.568 -6.180 -0.492 1.00 5.01 C ATOM 672 OH TYR A 42 -12.784 -7.120 0.091 1.00 71.40 O ATOM 0 H TYR A 42 -15.350 -3.744 -4.981 1.00 2.52 H new ATOM 0 HA TYR A 42 -17.574 -4.713 -3.299 1.00 13.21 H new ATOM 0 HB2 TYR A 42 -15.478 -2.528 -2.923 1.00 34.12 H new ATOM 0 HB3 TYR A 42 -16.779 -2.873 -1.800 1.00 34.12 H new ATOM 0 HD1 TYR A 42 -16.865 -5.366 -0.874 1.00 43.30 H new ATOM 0 HD2 TYR A 42 -13.389 -3.503 -2.601 1.00 23.05 H new ATOM 0 HE1 TYR A 42 -15.411 -7.029 0.266 1.00 31.15 H new ATOM 0 HE2 TYR A 42 -11.921 -5.143 -1.447 1.00 53.31 H new ATOM 0 HH TYR A 42 -13.332 -7.689 0.671 1.00 71.40 H new ATOM 682 N LYS A 43 -19.063 -2.697 -3.845 1.00 51.21 N ATOM 683 CA LYS A 43 -20.016 -1.663 -4.261 1.00 3.44 C ATOM 684 C LYS A 43 -20.372 -0.664 -3.158 1.00 2.34 C ATOM 685 O LYS A 43 -20.583 0.507 -3.461 1.00 45.13 O ATOM 686 CB LYS A 43 -21.247 -2.307 -4.892 1.00 74.23 C ATOM 687 CG LYS A 43 -22.237 -2.943 -3.900 1.00 65.31 C ATOM 688 CD LYS A 43 -23.621 -3.133 -4.516 1.00 25.13 C ATOM 689 CE LYS A 43 -24.284 -1.784 -4.825 1.00 13.40 C ATOM 690 NZ LYS A 43 -24.833 -1.090 -3.636 1.00 23.52 N ATOM 0 H LYS A 43 -19.462 -3.355 -3.175 1.00 51.21 H new ATOM 0 HA LYS A 43 -19.518 -1.056 -5.017 1.00 3.44 H new ATOM 0 HB2 LYS A 43 -21.775 -1.551 -5.473 1.00 74.23 H new ATOM 0 HB3 LYS A 43 -20.917 -3.074 -5.593 1.00 74.23 H new ATOM 0 HG2 LYS A 43 -21.851 -3.908 -3.571 1.00 65.31 H new ATOM 0 HG3 LYS A 43 -22.318 -2.313 -3.014 1.00 65.31 H new ATOM 0 HD2 LYS A 43 -23.536 -3.717 -5.432 1.00 25.13 H new ATOM 0 HD3 LYS A 43 -24.251 -3.702 -3.832 1.00 25.13 H new ATOM 0 HE2 LYS A 43 -23.553 -1.134 -5.306 1.00 13.40 H new ATOM 0 HE3 LYS A 43 -25.089 -1.943 -5.543 1.00 13.40 H new ATOM 0 HZ1 LYS A 43 -25.263 -0.189 -3.928 1.00 23.52 H new ATOM 0 HZ2 LYS A 43 -25.555 -1.689 -3.187 1.00 23.52 H new ATOM 0 HZ3 LYS A 43 -24.067 -0.905 -2.958 1.00 23.52 H new ATOM 704 N GLY A 44 -20.439 -1.078 -1.886 1.00 40.22 N ATOM 705 CA GLY A 44 -20.863 -0.193 -0.790 1.00 63.41 C ATOM 706 C GLY A 44 -19.818 0.871 -0.443 1.00 51.02 C ATOM 707 O GLY A 44 -20.102 1.837 0.262 1.00 13.21 O ATOM 0 H GLY A 44 -20.204 -2.025 -1.588 1.00 40.22 H new ATOM 0 HA2 GLY A 44 -21.796 0.298 -1.067 1.00 63.41 H new ATOM 0 HA3 GLY A 44 -21.070 -0.794 0.096 1.00 63.41 H new ATOM 711 N ILE A 45 -18.606 0.691 -0.957 1.00 53.12 N ATOM 712 CA ILE A 45 -17.431 1.504 -0.737 1.00 43.44 C ATOM 713 C ILE A 45 -17.606 2.923 -1.304 1.00 51.12 C ATOM 714 O ILE A 45 -18.311 3.146 -2.295 1.00 23.33 O ATOM 715 CB ILE A 45 -16.224 0.695 -1.283 1.00 34.43 C ATOM 716 CG1 ILE A 45 -14.843 1.333 -1.056 1.00 24.25 C ATOM 717 CG2 ILE A 45 -16.431 0.213 -2.728 1.00 50.12 C ATOM 718 CD1 ILE A 45 -14.329 2.192 -2.212 1.00 13.14 C ATOM 0 H ILE A 45 -18.412 -0.089 -1.585 1.00 53.12 H new ATOM 0 HA ILE A 45 -17.251 1.699 0.320 1.00 43.44 H new ATOM 0 HB ILE A 45 -16.203 -0.194 -0.653 1.00 34.43 H new ATOM 0 HG12 ILE A 45 -14.887 1.949 -0.158 1.00 24.25 H new ATOM 0 HG13 ILE A 45 -14.120 0.540 -0.863 1.00 24.25 H new ATOM 0 HG21 ILE A 45 -15.554 -0.346 -3.054 1.00 50.12 H new ATOM 0 HG22 ILE A 45 -17.310 -0.430 -2.775 1.00 50.12 H new ATOM 0 HG23 ILE A 45 -16.576 1.073 -3.381 1.00 50.12 H new ATOM 0 HD11 ILE A 45 -13.350 2.597 -1.957 1.00 13.14 H new ATOM 0 HD12 ILE A 45 -14.246 1.581 -3.111 1.00 13.14 H new ATOM 0 HD13 ILE A 45 -15.025 3.011 -2.394 1.00 13.14 H new ATOM 730 N LYS A 46 -16.923 3.867 -0.658 1.00 41.44 N ATOM 731 CA LYS A 46 -16.817 5.298 -0.924 1.00 62.34 C ATOM 732 C LYS A 46 -15.357 5.556 -1.306 1.00 20.52 C ATOM 733 O LYS A 46 -14.463 4.931 -0.744 1.00 64.21 O ATOM 734 CB LYS A 46 -17.262 6.027 0.349 1.00 32.43 C ATOM 735 CG LYS A 46 -16.725 7.446 0.534 1.00 74.10 C ATOM 736 CD LYS A 46 -17.060 8.507 -0.518 1.00 40.10 C ATOM 737 CE LYS A 46 -18.530 8.895 -0.520 1.00 25.40 C ATOM 738 NZ LYS A 46 -18.765 10.049 -1.407 1.00 74.40 N ATOM 0 H LYS A 46 -16.367 3.616 0.159 1.00 41.44 H new ATOM 0 HA LYS A 46 -17.447 5.657 -1.738 1.00 62.34 H new ATOM 0 HB2 LYS A 46 -18.351 6.069 0.358 1.00 32.43 H new ATOM 0 HB3 LYS A 46 -16.959 5.431 1.210 1.00 32.43 H new ATOM 0 HG2 LYS A 46 -17.084 7.811 1.496 1.00 74.10 H new ATOM 0 HG3 LYS A 46 -15.639 7.381 0.602 1.00 74.10 H new ATOM 0 HD2 LYS A 46 -16.455 9.395 -0.336 1.00 40.10 H new ATOM 0 HD3 LYS A 46 -16.787 8.132 -1.504 1.00 40.10 H new ATOM 0 HE2 LYS A 46 -19.134 8.049 -0.849 1.00 25.40 H new ATOM 0 HE3 LYS A 46 -18.848 9.139 0.494 1.00 25.40 H new ATOM 0 HZ1 LYS A 46 -19.775 10.297 -1.394 1.00 74.40 H new ATOM 0 HZ2 LYS A 46 -18.205 10.860 -1.077 1.00 74.40 H new ATOM 0 HZ3 LYS A 46 -18.482 9.804 -2.377 1.00 74.40 H new ATOM 752 N ILE A 47 -15.097 6.467 -2.237 1.00 61.44 N ATOM 753 CA ILE A 47 -13.764 6.972 -2.534 1.00 62.03 C ATOM 754 C ILE A 47 -13.649 8.349 -1.885 1.00 51.20 C ATOM 755 O ILE A 47 -14.483 9.208 -2.175 1.00 20.24 O ATOM 756 CB ILE A 47 -13.588 7.047 -4.066 1.00 14.10 C ATOM 757 CG1 ILE A 47 -13.963 5.734 -4.786 1.00 64.33 C ATOM 758 CG2 ILE A 47 -12.157 7.469 -4.413 1.00 45.23 C ATOM 759 CD1 ILE A 47 -13.092 4.545 -4.369 1.00 43.22 C ATOM 0 H ILE A 47 -15.824 6.883 -2.819 1.00 61.44 H new ATOM 0 HA ILE A 47 -12.982 6.322 -2.143 1.00 62.03 H new ATOM 0 HB ILE A 47 -14.286 7.801 -4.428 1.00 14.10 H new ATOM 0 HG12 ILE A 47 -15.008 5.500 -4.580 1.00 64.33 H new ATOM 0 HG13 ILE A 47 -13.875 5.880 -5.863 1.00 64.33 H new ATOM 0 HG21 ILE A 47 -12.045 7.518 -5.496 1.00 45.23 H new ATOM 0 HG22 ILE A 47 -11.952 8.449 -3.982 1.00 45.23 H new ATOM 0 HG23 ILE A 47 -11.455 6.740 -4.008 1.00 45.23 H new ATOM 0 HD11 ILE A 47 -13.408 3.654 -4.912 1.00 43.22 H new ATOM 0 HD12 ILE A 47 -12.049 4.760 -4.600 1.00 43.22 H new ATOM 0 HD13 ILE A 47 -13.199 4.374 -3.298 1.00 43.22 H new ATOM 771 N GLN A 48 -12.666 8.563 -1.012 1.00 61.14 N ATOM 772 CA GLN A 48 -12.325 9.870 -0.456 1.00 51.11 C ATOM 773 C GLN A 48 -10.877 9.849 0.028 1.00 33.44 C ATOM 774 O GLN A 48 -10.279 8.784 0.051 1.00 3.41 O ATOM 775 CB GLN A 48 -13.272 10.230 0.700 1.00 3.44 C ATOM 776 CG GLN A 48 -13.251 9.191 1.834 1.00 62.42 C ATOM 777 CD GLN A 48 -13.691 9.821 3.139 1.00 40.14 C ATOM 778 OE1 GLN A 48 -14.865 9.776 3.497 1.00 5.21 O ATOM 779 NE2 GLN A 48 -12.774 10.482 3.821 1.00 62.02 N ATOM 0 H GLN A 48 -12.070 7.812 -0.663 1.00 61.14 H new ATOM 0 HA GLN A 48 -12.436 10.629 -1.231 1.00 51.11 H new ATOM 0 HB2 GLN A 48 -12.994 11.205 1.101 1.00 3.44 H new ATOM 0 HB3 GLN A 48 -14.288 10.321 0.316 1.00 3.44 H new ATOM 0 HG2 GLN A 48 -13.909 8.359 1.585 1.00 62.42 H new ATOM 0 HG3 GLN A 48 -12.247 8.782 1.941 1.00 62.42 H new ATOM 0 HE21 GLN A 48 -11.808 10.498 3.494 1.00 62.02 H new ATOM 0 HE22 GLN A 48 -13.032 10.977 4.675 1.00 62.02 H new ATOM 788 N GLU A 49 -10.335 10.981 0.477 1.00 72.30 N ATOM 789 CA GLU A 49 -8.953 11.121 0.971 1.00 14.31 C ATOM 790 C GLU A 49 -8.805 10.739 2.448 1.00 54.34 C ATOM 791 O GLU A 49 -7.986 11.300 3.180 1.00 2.14 O ATOM 792 CB GLU A 49 -8.447 12.555 0.756 1.00 61.33 C ATOM 793 CG GLU A 49 -8.508 13.000 -0.707 1.00 11.10 C ATOM 794 CD GLU A 49 -9.014 14.433 -0.852 1.00 70.03 C ATOM 795 OE1 GLU A 49 -8.564 15.325 -0.092 1.00 61.33 O ATOM 796 OE2 GLU A 49 -9.977 14.654 -1.617 1.00 33.22 O ATOM 0 H GLU A 49 -10.857 11.857 0.511 1.00 72.30 H new ATOM 0 HA GLU A 49 -8.348 10.423 0.393 1.00 14.31 H new ATOM 0 HB2 GLU A 49 -9.041 13.238 1.363 1.00 61.33 H new ATOM 0 HB3 GLU A 49 -7.418 12.628 1.109 1.00 61.33 H new ATOM 0 HG2 GLU A 49 -7.516 12.920 -1.151 1.00 11.10 H new ATOM 0 HG3 GLU A 49 -9.161 12.328 -1.263 1.00 11.10 H new ATOM 803 N GLY A 50 -9.651 9.830 2.906 1.00 40.43 N ATOM 804 CA GLY A 50 -9.674 9.382 4.292 1.00 73.34 C ATOM 805 C GLY A 50 -10.210 7.967 4.418 1.00 62.40 C ATOM 806 O GLY A 50 -10.614 7.367 3.426 1.00 70.44 O ATOM 0 H GLY A 50 -10.351 9.376 2.319 1.00 40.43 H new ATOM 0 HA2 GLY A 50 -8.666 9.427 4.705 1.00 73.34 H new ATOM 0 HA3 GLY A 50 -10.292 10.059 4.883 1.00 73.34 H new ATOM 810 N ILE A 51 -10.203 7.462 5.655 1.00 44.23 N ATOM 811 CA ILE A 51 -10.560 6.099 6.023 1.00 61.41 C ATOM 812 C ILE A 51 -11.957 5.789 5.488 1.00 14.13 C ATOM 813 O ILE A 51 -12.896 6.554 5.708 1.00 54.21 O ATOM 814 CB ILE A 51 -10.514 5.930 7.564 1.00 74.40 C ATOM 815 CG1 ILE A 51 -9.167 6.306 8.228 1.00 61.33 C ATOM 816 CG2 ILE A 51 -10.951 4.520 8.003 1.00 63.43 C ATOM 817 CD1 ILE A 51 -8.061 5.244 8.153 1.00 53.12 C ATOM 0 H ILE A 51 -9.934 8.024 6.462 1.00 44.23 H new ATOM 0 HA ILE A 51 -9.845 5.402 5.586 1.00 61.41 H new ATOM 0 HB ILE A 51 -11.236 6.661 7.927 1.00 74.40 H new ATOM 0 HG12 ILE A 51 -8.798 7.220 7.763 1.00 61.33 H new ATOM 0 HG13 ILE A 51 -9.353 6.535 9.277 1.00 61.33 H new ATOM 0 HG21 ILE A 51 -10.904 4.446 9.089 1.00 63.43 H new ATOM 0 HG22 ILE A 51 -11.973 4.336 7.671 1.00 63.43 H new ATOM 0 HG23 ILE A 51 -10.286 3.779 7.560 1.00 63.43 H new ATOM 0 HD11 ILE A 51 -7.165 5.616 8.650 1.00 53.12 H new ATOM 0 HD12 ILE A 51 -8.398 4.332 8.647 1.00 53.12 H new ATOM 0 HD13 ILE A 51 -7.834 5.028 7.109 1.00 53.12 H new ATOM 829 N VAL A 52 -12.090 4.629 4.855 1.00 13.54 N ATOM 830 CA VAL A 52 -13.341 4.065 4.404 1.00 52.51 C ATOM 831 C VAL A 52 -13.335 2.608 4.819 1.00 22.30 C ATOM 832 O VAL A 52 -12.697 1.756 4.200 1.00 70.11 O ATOM 833 CB VAL A 52 -13.503 4.249 2.882 1.00 35.33 C ATOM 834 CG1 VAL A 52 -14.779 3.556 2.377 1.00 12.23 C ATOM 835 CG2 VAL A 52 -13.544 5.733 2.498 1.00 44.32 C ATOM 0 H VAL A 52 -11.289 4.036 4.636 1.00 13.54 H new ATOM 0 HA VAL A 52 -14.196 4.570 4.853 1.00 52.51 H new ATOM 0 HB VAL A 52 -12.634 3.790 2.410 1.00 35.33 H new ATOM 0 HG11 VAL A 52 -14.870 3.701 1.300 1.00 12.23 H new ATOM 0 HG12 VAL A 52 -14.725 2.490 2.596 1.00 12.23 H new ATOM 0 HG13 VAL A 52 -15.648 3.986 2.876 1.00 12.23 H new ATOM 0 HG21 VAL A 52 -13.659 5.826 1.418 1.00 44.32 H new ATOM 0 HG22 VAL A 52 -14.386 6.214 2.995 1.00 44.32 H new ATOM 0 HG23 VAL A 52 -12.616 6.215 2.807 1.00 44.32 H new ATOM 845 N ASP A 53 -14.066 2.294 5.881 1.00 55.22 N ATOM 846 CA ASP A 53 -14.446 0.921 6.150 1.00 3.33 C ATOM 847 C ASP A 53 -15.521 0.487 5.159 1.00 22.41 C ATOM 848 O ASP A 53 -16.718 0.642 5.417 1.00 12.42 O ATOM 849 CB ASP A 53 -14.915 0.768 7.588 1.00 21.22 C ATOM 850 CG ASP A 53 -15.554 -0.603 7.817 1.00 34.42 C ATOM 851 OD1 ASP A 53 -15.070 -1.616 7.267 1.00 61.11 O ATOM 852 OD2 ASP A 53 -16.631 -0.654 8.458 1.00 21.24 O ATOM 0 H ASP A 53 -14.404 2.971 6.565 1.00 55.22 H new ATOM 0 HA ASP A 53 -13.579 0.273 6.022 1.00 3.33 H new ATOM 0 HB2 ASP A 53 -14.070 0.896 8.265 1.00 21.22 H new ATOM 0 HB3 ASP A 53 -15.635 1.552 7.824 1.00 21.22 H new ATOM 857 N TYR A 54 -15.103 -0.042 4.013 1.00 44.14 N ATOM 858 CA TYR A 54 -15.895 -0.995 3.247 1.00 2.45 C ATOM 859 C TYR A 54 -14.950 -1.823 2.384 1.00 73.44 C ATOM 860 O TYR A 54 -14.457 -1.323 1.370 1.00 72.44 O ATOM 861 CB TYR A 54 -16.928 -0.291 2.362 1.00 63.33 C ATOM 862 CG TYR A 54 -18.026 -1.227 1.904 1.00 11.32 C ATOM 863 CD1 TYR A 54 -17.839 -2.096 0.812 1.00 30.52 C ATOM 864 CD2 TYR A 54 -19.227 -1.265 2.629 1.00 40.43 C ATOM 865 CE1 TYR A 54 -18.862 -2.981 0.429 1.00 34.42 C ATOM 866 CE2 TYR A 54 -20.241 -2.165 2.272 1.00 24.52 C ATOM 867 CZ TYR A 54 -20.064 -3.030 1.173 1.00 11.22 C ATOM 868 OH TYR A 54 -21.042 -3.917 0.859 1.00 51.44 O ATOM 0 H TYR A 54 -14.202 0.180 3.589 1.00 44.14 H new ATOM 0 HA TYR A 54 -16.443 -1.634 3.939 1.00 2.45 H new ATOM 0 HB2 TYR A 54 -17.369 0.540 2.913 1.00 63.33 H new ATOM 0 HB3 TYR A 54 -16.428 0.133 1.491 1.00 63.33 H new ATOM 0 HD1 TYR A 54 -16.907 -2.083 0.267 1.00 30.52 H new ATOM 0 HD2 TYR A 54 -19.371 -0.598 3.466 1.00 40.43 H new ATOM 0 HE1 TYR A 54 -18.731 -3.621 -0.431 1.00 34.42 H new ATOM 0 HE2 TYR A 54 -21.159 -2.196 2.840 1.00 24.52 H new ATOM 0 HH TYR A 54 -21.794 -3.808 1.478 1.00 51.44 H new ATOM 878 N GLY A 55 -14.617 -3.046 2.790 1.00 10.11 N ATOM 879 CA GLY A 55 -13.836 -3.966 1.976 1.00 33.15 C ATOM 880 C GLY A 55 -12.612 -4.505 2.698 1.00 41.31 C ATOM 881 O GLY A 55 -12.621 -5.677 3.064 1.00 3.24 O ATOM 0 H GLY A 55 -14.884 -3.426 3.698 1.00 10.11 H new ATOM 0 HA2 GLY A 55 -14.468 -4.800 1.672 1.00 33.15 H new ATOM 0 HA3 GLY A 55 -13.519 -3.458 1.065 1.00 33.15 H new ATOM 885 N VAL A 56 -11.563 -3.689 2.845 1.00 30.44 N ATOM 886 CA VAL A 56 -10.303 -4.019 3.521 1.00 45.04 C ATOM 887 C VAL A 56 -9.705 -2.734 4.144 1.00 3.21 C ATOM 888 O VAL A 56 -8.566 -2.344 3.872 1.00 30.14 O ATOM 889 CB VAL A 56 -9.316 -4.697 2.543 1.00 52.43 C ATOM 890 CG1 VAL A 56 -8.101 -5.234 3.295 1.00 4.12 C ATOM 891 CG2 VAL A 56 -9.894 -5.875 1.738 1.00 51.44 C ATOM 0 H VAL A 56 -11.569 -2.737 2.479 1.00 30.44 H new ATOM 0 HA VAL A 56 -10.495 -4.733 4.322 1.00 45.04 H new ATOM 0 HB VAL A 56 -9.061 -3.904 1.839 1.00 52.43 H new ATOM 0 HG11 VAL A 56 -7.417 -5.708 2.591 1.00 4.12 H new ATOM 0 HG12 VAL A 56 -7.592 -4.412 3.798 1.00 4.12 H new ATOM 0 HG13 VAL A 56 -8.425 -5.966 4.034 1.00 4.12 H new ATOM 0 HG21 VAL A 56 -9.123 -6.281 1.083 1.00 51.44 H new ATOM 0 HG22 VAL A 56 -10.234 -6.652 2.423 1.00 51.44 H new ATOM 0 HG23 VAL A 56 -10.735 -5.528 1.138 1.00 51.44 H new ATOM 901 N ARG A 57 -10.508 -2.008 4.923 1.00 54.45 N ATOM 902 CA ARG A 57 -10.124 -0.803 5.661 1.00 64.51 C ATOM 903 C ARG A 57 -9.253 0.161 4.844 1.00 33.01 C ATOM 904 O ARG A 57 -8.145 0.511 5.263 1.00 24.25 O ATOM 905 CB ARG A 57 -9.619 -1.142 7.077 1.00 54.43 C ATOM 906 CG ARG A 57 -10.791 -1.683 7.915 1.00 63.14 C ATOM 907 CD ARG A 57 -10.590 -1.549 9.432 1.00 13.43 C ATOM 908 NE ARG A 57 -11.893 -1.500 10.123 1.00 72.31 N ATOM 909 CZ ARG A 57 -12.782 -2.495 10.215 1.00 32.04 C ATOM 910 NH1 ARG A 57 -12.438 -3.743 9.910 1.00 43.41 N ATOM 911 NH2 ARG A 57 -14.024 -2.217 10.592 1.00 65.32 N ATOM 0 H ARG A 57 -11.488 -2.255 5.063 1.00 54.45 H new ATOM 0 HA ARG A 57 -11.025 -0.213 5.828 1.00 64.51 H new ATOM 0 HB2 ARG A 57 -8.821 -1.883 7.024 1.00 54.43 H new ATOM 0 HB3 ARG A 57 -9.198 -0.254 7.549 1.00 54.43 H new ATOM 0 HG2 ARG A 57 -11.701 -1.154 7.632 1.00 63.14 H new ATOM 0 HG3 ARG A 57 -10.944 -2.734 7.671 1.00 63.14 H new ATOM 0 HD2 ARG A 57 -10.006 -2.391 9.803 1.00 13.43 H new ATOM 0 HD3 ARG A 57 -10.021 -0.645 9.651 1.00 13.43 H new ATOM 0 HE ARG A 57 -12.140 -0.620 10.575 1.00 72.31 H new ATOM 0 HH11 ARG A 57 -11.488 -3.949 9.602 1.00 43.41 H new ATOM 0 HH12 ARG A 57 -13.124 -4.494 9.984 1.00 43.41 H new ATOM 0 HH21 ARG A 57 -14.289 -1.256 10.807 1.00 65.32 H new ATOM 0 HH22 ARG A 57 -14.714 -2.965 10.667 1.00 65.32 H new ATOM 925 N PHE A 58 -9.718 0.535 3.651 1.00 3.12 N ATOM 926 CA PHE A 58 -8.977 1.399 2.749 1.00 41.12 C ATOM 927 C PHE A 58 -8.828 2.781 3.372 1.00 43.01 C ATOM 928 O PHE A 58 -9.821 3.433 3.670 1.00 54.10 O ATOM 929 CB PHE A 58 -9.674 1.485 1.385 1.00 41.24 C ATOM 930 CG PHE A 58 -9.994 0.150 0.728 1.00 43.35 C ATOM 931 CD1 PHE A 58 -8.992 -0.825 0.556 1.00 60.43 C ATOM 932 CD2 PHE A 58 -11.305 -0.126 0.290 1.00 34.32 C ATOM 933 CE1 PHE A 58 -9.297 -2.057 -0.050 1.00 1.11 C ATOM 934 CE2 PHE A 58 -11.619 -1.377 -0.274 1.00 21.33 C ATOM 935 CZ PHE A 58 -10.612 -2.341 -0.449 1.00 52.23 C ATOM 0 H PHE A 58 -10.625 0.242 3.287 1.00 3.12 H new ATOM 0 HA PHE A 58 -7.985 0.977 2.588 1.00 41.12 H new ATOM 0 HB2 PHE A 58 -10.603 2.043 1.505 1.00 41.24 H new ATOM 0 HB3 PHE A 58 -9.042 2.061 0.709 1.00 41.24 H new ATOM 0 HD1 PHE A 58 -7.985 -0.626 0.891 1.00 60.43 H new ATOM 0 HD2 PHE A 58 -12.073 0.627 0.388 1.00 34.32 H new ATOM 0 HE1 PHE A 58 -8.517 -2.787 -0.209 1.00 1.11 H new ATOM 0 HE2 PHE A 58 -12.634 -1.596 -0.572 1.00 21.33 H new ATOM 0 HZ PHE A 58 -10.849 -3.298 -0.889 1.00 52.23 H new ATOM 945 N PHE A 59 -7.589 3.224 3.587 1.00 10.01 N ATOM 946 CA PHE A 59 -7.321 4.541 4.162 1.00 15.10 C ATOM 947 C PHE A 59 -7.406 5.670 3.120 1.00 12.21 C ATOM 948 O PHE A 59 -7.684 6.814 3.450 1.00 2.43 O ATOM 949 CB PHE A 59 -5.942 4.480 4.845 1.00 4.33 C ATOM 950 CG PHE A 59 -5.311 5.823 5.168 1.00 23.12 C ATOM 951 CD1 PHE A 59 -6.054 6.828 5.818 1.00 43.32 C ATOM 952 CD2 PHE A 59 -4.005 6.111 4.731 1.00 23.13 C ATOM 953 CE1 PHE A 59 -5.531 8.121 5.973 1.00 31.03 C ATOM 954 CE2 PHE A 59 -3.478 7.408 4.884 1.00 71.44 C ATOM 955 CZ PHE A 59 -4.264 8.415 5.467 1.00 65.22 C ATOM 0 H PHE A 59 -6.751 2.685 3.370 1.00 10.01 H new ATOM 0 HA PHE A 59 -8.090 4.783 4.896 1.00 15.10 H new ATOM 0 HB2 PHE A 59 -6.039 3.912 5.770 1.00 4.33 H new ATOM 0 HB3 PHE A 59 -5.261 3.924 4.200 1.00 4.33 H new ATOM 0 HD1 PHE A 59 -7.038 6.601 6.202 1.00 43.32 H new ATOM 0 HD2 PHE A 59 -3.405 5.336 4.277 1.00 23.13 H new ATOM 0 HE1 PHE A 59 -6.105 8.883 6.480 1.00 31.03 H new ATOM 0 HE2 PHE A 59 -2.473 7.627 4.554 1.00 71.44 H new ATOM 0 HZ PHE A 59 -3.885 9.425 5.524 1.00 65.22 H new ATOM 965 N PHE A 60 -7.167 5.326 1.865 1.00 61.55 N ATOM 966 CA PHE A 60 -6.885 6.212 0.738 1.00 43.05 C ATOM 967 C PHE A 60 -5.837 7.314 1.069 1.00 51.43 C ATOM 968 O PHE A 60 -5.240 7.314 2.146 1.00 75.01 O ATOM 969 CB PHE A 60 -8.202 6.716 0.138 1.00 15.21 C ATOM 970 CG PHE A 60 -9.078 5.611 -0.431 1.00 43.15 C ATOM 971 CD1 PHE A 60 -8.639 4.855 -1.534 1.00 20.32 C ATOM 972 CD2 PHE A 60 -10.334 5.320 0.135 1.00 42.11 C ATOM 973 CE1 PHE A 60 -9.398 3.777 -2.019 1.00 62.43 C ATOM 974 CE2 PHE A 60 -11.108 4.256 -0.367 1.00 43.24 C ATOM 975 CZ PHE A 60 -10.628 3.466 -1.423 1.00 74.30 C ATOM 0 H PHE A 60 -7.164 4.346 1.582 1.00 61.55 H new ATOM 0 HA PHE A 60 -6.384 5.643 -0.045 1.00 43.05 H new ATOM 0 HB2 PHE A 60 -8.760 7.250 0.907 1.00 15.21 H new ATOM 0 HB3 PHE A 60 -7.980 7.434 -0.651 1.00 15.21 H new ATOM 0 HD1 PHE A 60 -7.705 5.107 -2.014 1.00 20.32 H new ATOM 0 HD2 PHE A 60 -10.705 5.915 0.957 1.00 42.11 H new ATOM 0 HE1 PHE A 60 -9.035 3.189 -2.849 1.00 62.43 H new ATOM 0 HE2 PHE A 60 -12.076 4.047 0.063 1.00 43.24 H new ATOM 0 HZ PHE A 60 -11.204 2.623 -1.775 1.00 74.30 H new ATOM 985 N TYR A 61 -5.449 8.125 0.076 1.00 10.32 N ATOM 986 CA TYR A 61 -4.628 9.351 0.073 1.00 41.25 C ATOM 987 C TYR A 61 -4.398 9.733 -1.392 1.00 34.30 C ATOM 988 O TYR A 61 -4.330 8.848 -2.264 1.00 23.10 O ATOM 989 CB TYR A 61 -3.271 9.229 0.799 1.00 52.42 C ATOM 990 CG TYR A 61 -2.364 8.100 0.345 1.00 33.12 C ATOM 991 CD1 TYR A 61 -1.580 8.216 -0.820 1.00 34.43 C ATOM 992 CD2 TYR A 61 -2.310 6.918 1.100 1.00 5.42 C ATOM 993 CE1 TYR A 61 -0.813 7.125 -1.266 1.00 33.23 C ATOM 994 CE2 TYR A 61 -1.605 5.807 0.624 1.00 73.51 C ATOM 995 CZ TYR A 61 -0.879 5.890 -0.579 1.00 74.21 C ATOM 996 OH TYR A 61 -0.273 4.773 -1.067 1.00 34.04 O ATOM 0 H TYR A 61 -5.743 7.909 -0.876 1.00 10.32 H new ATOM 0 HA TYR A 61 -5.173 10.112 0.631 1.00 41.25 H new ATOM 0 HB2 TYR A 61 -2.733 10.169 0.679 1.00 52.42 H new ATOM 0 HB3 TYR A 61 -3.463 9.106 1.865 1.00 52.42 H new ATOM 0 HD1 TYR A 61 -1.568 9.145 -1.371 1.00 34.43 H new ATOM 0 HD2 TYR A 61 -2.815 6.866 2.053 1.00 5.42 H new ATOM 0 HE1 TYR A 61 -0.175 7.230 -2.131 1.00 33.23 H new ATOM 0 HE2 TYR A 61 -1.618 4.882 1.182 1.00 73.51 H new ATOM 0 HH TYR A 61 -0.428 4.023 -0.456 1.00 34.04 H new ATOM 1006 N THR A 62 -4.267 11.031 -1.656 1.00 53.20 N ATOM 1007 CA THR A 62 -4.020 11.595 -2.983 1.00 54.31 C ATOM 1008 C THR A 62 -2.512 11.632 -3.254 1.00 61.22 C ATOM 1009 O THR A 62 -1.720 11.795 -2.323 1.00 12.03 O ATOM 1010 CB THR A 62 -4.658 13.002 -3.097 1.00 72.42 C ATOM 1011 OG1 THR A 62 -4.868 13.645 -1.850 1.00 13.42 O ATOM 1012 CG2 THR A 62 -6.036 12.957 -3.761 1.00 2.03 C ATOM 0 H THR A 62 -4.332 11.743 -0.929 1.00 53.20 H new ATOM 0 HA THR A 62 -4.485 10.964 -3.740 1.00 54.31 H new ATOM 0 HB THR A 62 -3.930 13.556 -3.690 1.00 72.42 H new ATOM 0 HG1 THR A 62 -5.270 14.526 -2.000 1.00 13.42 H new ATOM 0 HG21 THR A 62 -6.445 13.966 -3.819 1.00 2.03 H new ATOM 0 HG22 THR A 62 -5.943 12.545 -4.766 1.00 2.03 H new ATOM 0 HG23 THR A 62 -6.704 12.329 -3.171 1.00 2.03 H new ATOM 1020 N SER A 63 -2.105 11.549 -4.524 1.00 32.04 N ATOM 1021 CA SER A 63 -0.717 11.703 -4.935 1.00 3.15 C ATOM 1022 C SER A 63 -0.149 13.091 -4.624 1.00 12.30 C ATOM 1023 O SER A 63 1.064 13.276 -4.749 1.00 12.31 O ATOM 1024 CB SER A 63 -0.583 11.430 -6.429 1.00 42.52 C ATOM 1025 OG SER A 63 -1.497 12.140 -7.242 1.00 1.21 O ATOM 0 H SER A 63 -2.742 11.371 -5.301 1.00 32.04 H new ATOM 0 HA SER A 63 -0.141 10.979 -4.359 1.00 3.15 H new ATOM 0 HB2 SER A 63 0.431 11.680 -6.741 1.00 42.52 H new ATOM 0 HB3 SER A 63 -0.716 10.362 -6.603 1.00 42.52 H new ATOM 0 HG SER A 63 -1.851 11.544 -7.935 1.00 1.21 H new ATOM 1031 N LYS A 64 -0.982 14.094 -4.324 1.00 32.52 N ATOM 1032 CA LYS A 64 -0.488 15.435 -4.047 1.00 24.12 C ATOM 1033 C LYS A 64 0.273 15.477 -2.726 1.00 4.53 C ATOM 1034 O LYS A 64 1.190 16.290 -2.590 1.00 54.14 O ATOM 1035 CB LYS A 64 -1.630 16.464 -4.124 1.00 45.04 C ATOM 1036 CG LYS A 64 -2.572 16.522 -2.916 1.00 14.41 C ATOM 1037 CD LYS A 64 -1.980 17.294 -1.729 1.00 55.31 C ATOM 1038 CE LYS A 64 -2.660 18.619 -1.435 1.00 71.23 C ATOM 1039 NZ LYS A 64 -2.174 19.134 -0.141 1.00 4.44 N ATOM 0 H LYS A 64 -1.996 13.997 -4.269 1.00 32.52 H new ATOM 0 HA LYS A 64 0.230 15.713 -4.819 1.00 24.12 H new ATOM 0 HB2 LYS A 64 -1.192 17.452 -4.264 1.00 45.04 H new ATOM 0 HB3 LYS A 64 -2.225 16.250 -5.012 1.00 45.04 H new ATOM 0 HG2 LYS A 64 -3.509 16.991 -3.216 1.00 14.41 H new ATOM 0 HG3 LYS A 64 -2.810 15.507 -2.599 1.00 14.41 H new ATOM 0 HD2 LYS A 64 -2.037 16.666 -0.840 1.00 55.31 H new ATOM 0 HD3 LYS A 64 -0.923 17.478 -1.923 1.00 55.31 H new ATOM 0 HE2 LYS A 64 -2.447 19.335 -2.229 1.00 71.23 H new ATOM 0 HE3 LYS A 64 -3.742 18.488 -1.405 1.00 71.23 H new ATOM 0 HZ1 LYS A 64 -2.895 19.755 0.279 1.00 4.44 H new ATOM 0 HZ2 LYS A 64 -1.986 18.338 0.501 1.00 4.44 H new ATOM 0 HZ3 LYS A 64 -1.297 19.673 -0.289 1.00 4.44 H new ATOM 1053 N GLU A 65 -0.157 14.715 -1.714 1.00 42.32 N ATOM 1054 CA GLU A 65 0.437 14.842 -0.387 1.00 2.14 C ATOM 1055 C GLU A 65 1.889 14.339 -0.489 1.00 63.11 C ATOM 1056 O GLU A 65 2.154 13.429 -1.284 1.00 40.40 O ATOM 1057 CB GLU A 65 -0.384 14.059 0.657 1.00 23.41 C ATOM 1058 CG GLU A 65 -0.798 14.898 1.884 1.00 5.31 C ATOM 1059 CD GLU A 65 -2.000 15.815 1.644 1.00 32.30 C ATOM 1060 OE1 GLU A 65 -3.124 15.301 1.443 1.00 61.44 O ATOM 1061 OE2 GLU A 65 -1.845 17.060 1.667 1.00 42.54 O ATOM 0 H GLU A 65 -0.899 14.019 -1.789 1.00 42.32 H new ATOM 0 HA GLU A 65 0.433 15.879 -0.051 1.00 2.14 H new ATOM 0 HB2 GLU A 65 -1.281 13.666 0.179 1.00 23.41 H new ATOM 0 HB3 GLU A 65 0.199 13.202 0.995 1.00 23.41 H new ATOM 0 HG2 GLU A 65 -1.029 14.224 2.709 1.00 5.31 H new ATOM 0 HG3 GLU A 65 0.051 15.506 2.197 1.00 5.31 H new ATOM 1068 N PRO A 66 2.858 14.881 0.271 1.00 41.43 N ATOM 1069 CA PRO A 66 4.205 14.347 0.234 1.00 11.34 C ATOM 1070 C PRO A 66 4.175 12.947 0.841 1.00 73.43 C ATOM 1071 O PRO A 66 3.504 12.723 1.853 1.00 61.14 O ATOM 1072 CB PRO A 66 5.082 15.319 1.019 1.00 2.15 C ATOM 1073 CG PRO A 66 4.117 16.079 1.922 1.00 31.15 C ATOM 1074 CD PRO A 66 2.722 15.868 1.327 1.00 62.32 C ATOM 0 HA PRO A 66 4.608 14.252 -0.774 1.00 11.34 H new ATOM 0 HB2 PRO A 66 5.834 14.789 1.603 1.00 2.15 H new ATOM 0 HB3 PRO A 66 5.615 15.996 0.352 1.00 2.15 H new ATOM 0 HG2 PRO A 66 4.165 15.706 2.945 1.00 31.15 H new ATOM 0 HG3 PRO A 66 4.369 17.139 1.957 1.00 31.15 H new ATOM 0 HD2 PRO A 66 2.025 15.523 2.091 1.00 62.32 H new ATOM 0 HD3 PRO A 66 2.325 16.803 0.932 1.00 62.32 H new ATOM 1082 N VAL A 67 4.957 12.025 0.275 1.00 54.43 N ATOM 1083 CA VAL A 67 5.118 10.660 0.782 1.00 23.14 C ATOM 1084 C VAL A 67 5.441 10.715 2.279 1.00 2.43 C ATOM 1085 O VAL A 67 4.870 9.966 3.066 1.00 13.30 O ATOM 1086 CB VAL A 67 6.205 9.917 -0.027 1.00 25.44 C ATOM 1087 CG1 VAL A 67 6.352 8.447 0.377 1.00 14.22 C ATOM 1088 CG2 VAL A 67 5.912 9.912 -1.530 1.00 74.22 C ATOM 0 H VAL A 67 5.506 12.210 -0.564 1.00 54.43 H new ATOM 0 HA VAL A 67 4.192 10.099 0.658 1.00 23.14 H new ATOM 0 HB VAL A 67 7.119 10.469 0.195 1.00 25.44 H new ATOM 0 HG11 VAL A 67 7.130 7.980 -0.227 1.00 14.22 H new ATOM 0 HG12 VAL A 67 6.624 8.385 1.431 1.00 14.22 H new ATOM 0 HG13 VAL A 67 5.407 7.929 0.215 1.00 14.22 H new ATOM 0 HG21 VAL A 67 6.705 9.378 -2.054 1.00 74.22 H new ATOM 0 HG22 VAL A 67 4.959 9.417 -1.713 1.00 74.22 H new ATOM 0 HG23 VAL A 67 5.864 10.938 -1.895 1.00 74.22 H new ATOM 1098 N ALA A 68 6.271 11.675 2.703 1.00 24.41 N ATOM 1099 CA ALA A 68 6.608 11.860 4.104 1.00 3.43 C ATOM 1100 C ALA A 68 5.381 12.087 4.999 1.00 53.11 C ATOM 1101 O ALA A 68 5.352 11.582 6.121 1.00 74.53 O ATOM 1102 CB ALA A 68 7.562 13.043 4.248 1.00 43.44 C ATOM 0 H ALA A 68 6.724 12.342 2.078 1.00 24.41 H new ATOM 0 HA ALA A 68 7.080 10.936 4.438 1.00 3.43 H new ATOM 0 HB1 ALA A 68 7.814 13.181 5.299 1.00 43.44 H new ATOM 0 HB2 ALA A 68 8.471 12.849 3.679 1.00 43.44 H new ATOM 0 HB3 ALA A 68 7.083 13.945 3.868 1.00 43.44 H new ATOM 1108 N SER A 69 4.380 12.843 4.539 1.00 54.21 N ATOM 1109 CA SER A 69 3.141 13.032 5.286 1.00 64.44 C ATOM 1110 C SER A 69 2.344 11.735 5.306 1.00 21.32 C ATOM 1111 O SER A 69 1.785 11.389 6.348 1.00 12.51 O ATOM 1112 CB SER A 69 2.306 14.147 4.656 1.00 52.11 C ATOM 1113 OG SER A 69 1.175 14.440 5.450 1.00 43.51 O ATOM 0 H SER A 69 4.408 13.336 3.646 1.00 54.21 H new ATOM 0 HA SER A 69 3.389 13.315 6.309 1.00 64.44 H new ATOM 0 HB2 SER A 69 2.916 15.043 4.541 1.00 52.11 H new ATOM 0 HB3 SER A 69 1.987 13.848 3.658 1.00 52.11 H new ATOM 0 HG SER A 69 0.656 15.157 5.029 1.00 43.51 H new ATOM 1119 N ILE A 70 2.280 11.016 4.183 1.00 63.31 N ATOM 1120 CA ILE A 70 1.525 9.775 4.085 1.00 41.23 C ATOM 1121 C ILE A 70 2.077 8.774 5.106 1.00 30.45 C ATOM 1122 O ILE A 70 1.275 8.197 5.837 1.00 35.33 O ATOM 1123 CB ILE A 70 1.495 9.256 2.630 1.00 70.44 C ATOM 1124 CG1 ILE A 70 0.703 10.242 1.736 1.00 25.45 C ATOM 1125 CG2 ILE A 70 0.838 7.864 2.575 1.00 1.42 C ATOM 1126 CD1 ILE A 70 1.018 10.114 0.243 1.00 55.24 C ATOM 0 H ILE A 70 2.752 11.282 3.319 1.00 63.31 H new ATOM 0 HA ILE A 70 0.478 9.941 4.339 1.00 41.23 H new ATOM 0 HB ILE A 70 2.519 9.179 2.264 1.00 70.44 H new ATOM 0 HG12 ILE A 70 -0.364 10.078 1.888 1.00 25.45 H new ATOM 0 HG13 ILE A 70 0.918 11.261 2.057 1.00 25.45 H new ATOM 0 HG21 ILE A 70 0.823 7.509 1.544 1.00 1.42 H new ATOM 0 HG22 ILE A 70 1.408 7.168 3.190 1.00 1.42 H new ATOM 0 HG23 ILE A 70 -0.183 7.928 2.952 1.00 1.42 H new ATOM 0 HD11 ILE A 70 0.425 10.837 -0.317 1.00 55.24 H new ATOM 0 HD12 ILE A 70 2.078 10.308 0.077 1.00 55.24 H new ATOM 0 HD13 ILE A 70 0.776 9.106 -0.095 1.00 55.24 H new ATOM 1138 N ILE A 71 3.404 8.640 5.245 1.00 61.14 N ATOM 1139 CA ILE A 71 4.038 7.813 6.276 1.00 32.44 C ATOM 1140 C ILE A 71 3.405 8.136 7.642 1.00 52.45 C ATOM 1141 O ILE A 71 2.971 7.239 8.363 1.00 34.45 O ATOM 1142 CB ILE A 71 5.576 8.050 6.270 1.00 70.14 C ATOM 1143 CG1 ILE A 71 6.305 7.575 4.988 1.00 31.23 C ATOM 1144 CG2 ILE A 71 6.282 7.483 7.513 1.00 45.33 C ATOM 1145 CD1 ILE A 71 6.540 6.064 4.850 1.00 55.53 C ATOM 0 H ILE A 71 4.074 9.110 4.636 1.00 61.14 H new ATOM 0 HA ILE A 71 3.873 6.755 6.071 1.00 32.44 H new ATOM 0 HB ILE A 71 5.653 9.137 6.290 1.00 70.14 H new ATOM 0 HG12 ILE A 71 5.730 7.910 4.125 1.00 31.23 H new ATOM 0 HG13 ILE A 71 7.272 8.076 4.941 1.00 31.23 H new ATOM 0 HG21 ILE A 71 7.352 7.682 7.446 1.00 45.33 H new ATOM 0 HG22 ILE A 71 5.880 7.958 8.408 1.00 45.33 H new ATOM 0 HG23 ILE A 71 6.116 6.407 7.567 1.00 45.33 H new ATOM 0 HD11 ILE A 71 7.058 5.860 3.913 1.00 55.53 H new ATOM 0 HD12 ILE A 71 7.148 5.713 5.684 1.00 55.53 H new ATOM 0 HD13 ILE A 71 5.582 5.545 4.855 1.00 55.53 H new ATOM 1157 N THR A 72 3.332 9.418 7.999 1.00 11.14 N ATOM 1158 CA THR A 72 2.824 9.895 9.279 1.00 41.12 C ATOM 1159 C THR A 72 1.373 9.461 9.556 1.00 44.23 C ATOM 1160 O THR A 72 1.015 9.283 10.718 1.00 74.40 O ATOM 1161 CB THR A 72 3.047 11.415 9.331 1.00 33.31 C ATOM 1162 OG1 THR A 72 4.417 11.658 9.059 1.00 60.51 O ATOM 1163 CG2 THR A 72 2.731 12.050 10.679 1.00 52.35 C ATOM 0 H THR A 72 3.635 10.174 7.385 1.00 11.14 H new ATOM 0 HA THR A 72 3.375 9.429 10.095 1.00 41.12 H new ATOM 0 HB THR A 72 2.368 11.858 8.602 1.00 33.31 H new ATOM 0 HG1 THR A 72 4.546 11.760 8.093 1.00 60.51 H new ATOM 0 HG21 THR A 72 2.916 13.123 10.628 1.00 52.35 H new ATOM 0 HG22 THR A 72 1.685 11.873 10.928 1.00 52.35 H new ATOM 0 HG23 THR A 72 3.366 11.609 11.447 1.00 52.35 H new ATOM 1171 N LYS A 73 0.549 9.216 8.531 1.00 3.01 N ATOM 1172 CA LYS A 73 -0.833 8.781 8.701 1.00 64.20 C ATOM 1173 C LYS A 73 -0.877 7.394 9.344 1.00 72.34 C ATOM 1174 O LYS A 73 -1.564 7.190 10.341 1.00 20.21 O ATOM 1175 CB LYS A 73 -1.546 8.771 7.340 1.00 24.10 C ATOM 1176 CG LYS A 73 -1.418 10.058 6.511 1.00 53.50 C ATOM 1177 CD LYS A 73 -2.224 11.243 7.061 1.00 51.12 C ATOM 1178 CE LYS A 73 -1.648 12.561 6.536 1.00 11.11 C ATOM 1179 NZ LYS A 73 -0.420 12.946 7.259 1.00 13.13 N ATOM 0 H LYS A 73 0.829 9.316 7.555 1.00 3.01 H new ATOM 0 HA LYS A 73 -1.349 9.479 9.361 1.00 64.20 H new ATOM 0 HB2 LYS A 73 -1.154 7.941 6.752 1.00 24.10 H new ATOM 0 HB3 LYS A 73 -2.605 8.572 7.507 1.00 24.10 H new ATOM 0 HG2 LYS A 73 -0.367 10.341 6.460 1.00 53.50 H new ATOM 0 HG3 LYS A 73 -1.743 9.854 5.491 1.00 53.50 H new ATOM 0 HD2 LYS A 73 -3.269 11.151 6.765 1.00 51.12 H new ATOM 0 HD3 LYS A 73 -2.199 11.235 8.151 1.00 51.12 H new ATOM 0 HE2 LYS A 73 -1.429 12.465 5.473 1.00 11.11 H new ATOM 0 HE3 LYS A 73 -2.393 13.350 6.638 1.00 11.11 H new ATOM 0 HZ1 LYS A 73 0.138 13.599 6.672 1.00 13.13 H new ATOM 0 HZ2 LYS A 73 -0.675 13.415 8.152 1.00 13.13 H new ATOM 0 HZ3 LYS A 73 0.144 12.096 7.463 1.00 13.13 H new ATOM 1193 N LEU A 74 -0.112 6.439 8.810 1.00 62.34 N ATOM 1194 CA LEU A 74 -0.042 5.095 9.375 1.00 33.22 C ATOM 1195 C LEU A 74 0.677 5.125 10.715 1.00 21.01 C ATOM 1196 O LEU A 74 0.416 4.306 11.586 1.00 62.25 O ATOM 1197 CB LEU A 74 0.734 4.146 8.464 1.00 52.22 C ATOM 1198 CG LEU A 74 0.221 3.946 7.039 1.00 53.24 C ATOM 1199 CD1 LEU A 74 -1.303 3.968 6.888 1.00 51.35 C ATOM 1200 CD2 LEU A 74 0.822 4.960 6.076 1.00 44.30 C ATOM 0 H LEU A 74 0.469 6.576 7.983 1.00 62.34 H new ATOM 0 HA LEU A 74 -1.068 4.744 9.488 1.00 33.22 H new ATOM 0 HB2 LEU A 74 1.761 4.506 8.403 1.00 52.22 H new ATOM 0 HB3 LEU A 74 0.767 3.170 8.948 1.00 52.22 H new ATOM 0 HG LEU A 74 0.550 2.937 6.789 1.00 53.24 H new ATOM 0 HD11 LEU A 74 -1.567 3.818 5.841 1.00 51.35 H new ATOM 0 HD12 LEU A 74 -1.740 3.171 7.490 1.00 51.35 H new ATOM 0 HD13 LEU A 74 -1.688 4.930 7.225 1.00 51.35 H new ATOM 0 HD21 LEU A 74 0.432 4.785 5.073 1.00 44.30 H new ATOM 0 HD22 LEU A 74 0.558 5.968 6.397 1.00 44.30 H new ATOM 0 HD23 LEU A 74 1.907 4.855 6.067 1.00 44.30 H new ATOM 1212 N ASN A 75 1.614 6.055 10.873 1.00 63.02 N ATOM 1213 CA ASN A 75 2.313 6.317 12.131 1.00 52.03 C ATOM 1214 C ASN A 75 1.383 6.812 13.249 1.00 51.45 C ATOM 1215 O ASN A 75 1.790 6.844 14.408 1.00 33.03 O ATOM 1216 CB ASN A 75 3.415 7.354 11.885 1.00 44.52 C ATOM 1217 CG ASN A 75 4.765 6.934 12.438 1.00 32.21 C ATOM 1218 OD1 ASN A 75 4.874 6.276 13.467 1.00 44.31 O ATOM 1219 ND2 ASN A 75 5.833 7.257 11.724 1.00 1.34 N ATOM 0 H ASN A 75 1.917 6.663 10.112 1.00 63.02 H new ATOM 0 HA ASN A 75 2.734 5.370 12.469 1.00 52.03 H new ATOM 0 HB2 ASN A 75 3.507 7.529 10.813 1.00 44.52 H new ATOM 0 HB3 ASN A 75 3.122 8.301 12.339 1.00 44.52 H new ATOM 0 HD21 ASN A 75 6.759 6.958 12.028 1.00 1.34 H new ATOM 0 HD22 ASN A 75 5.729 7.805 10.870 1.00 1.34 H new ATOM 1226 N SER A 76 0.164 7.246 12.919 1.00 33.50 N ATOM 1227 CA SER A 76 -0.948 7.371 13.850 1.00 22.43 C ATOM 1228 C SER A 76 -1.465 5.961 14.150 1.00 3.14 C ATOM 1229 O SER A 76 -1.274 5.463 15.260 1.00 74.41 O ATOM 1230 CB SER A 76 -1.977 8.364 13.268 1.00 51.23 C ATOM 1231 OG SER A 76 -3.340 7.980 13.332 1.00 52.02 O ATOM 0 H SER A 76 -0.078 7.527 11.969 1.00 33.50 H new ATOM 0 HA SER A 76 -0.666 7.797 14.813 1.00 22.43 H new ATOM 0 HB2 SER A 76 -1.866 9.314 13.791 1.00 51.23 H new ATOM 0 HB3 SER A 76 -1.723 8.544 12.223 1.00 51.23 H new ATOM 0 HG SER A 76 -3.897 8.683 12.937 1.00 52.02 H new ATOM 1237 N LEU A 77 -2.085 5.322 13.154 1.00 51.12 N ATOM 1238 CA LEU A 77 -2.818 4.059 13.284 1.00 33.43 C ATOM 1239 C LEU A 77 -2.008 2.960 13.979 1.00 40.40 C ATOM 1240 O LEU A 77 -2.561 2.182 14.749 1.00 20.45 O ATOM 1241 CB LEU A 77 -3.242 3.544 11.900 1.00 70.12 C ATOM 1242 CG LEU A 77 -4.209 4.437 11.106 1.00 34.15 C ATOM 1243 CD1 LEU A 77 -4.577 3.756 9.783 1.00 14.34 C ATOM 1244 CD2 LEU A 77 -5.495 4.722 11.885 1.00 65.25 C ATOM 0 H LEU A 77 -2.091 5.683 12.200 1.00 51.12 H new ATOM 0 HA LEU A 77 -3.688 4.280 13.903 1.00 33.43 H new ATOM 0 HB2 LEU A 77 -2.344 3.395 11.301 1.00 70.12 H new ATOM 0 HB3 LEU A 77 -3.706 2.566 12.027 1.00 70.12 H new ATOM 0 HG LEU A 77 -3.700 5.383 10.923 1.00 34.15 H new ATOM 0 HD11 LEU A 77 -5.263 4.393 9.224 1.00 14.34 H new ATOM 0 HD12 LEU A 77 -3.674 3.591 9.195 1.00 14.34 H new ATOM 0 HD13 LEU A 77 -5.057 2.799 9.988 1.00 14.34 H new ATOM 0 HD21 LEU A 77 -6.150 5.356 11.287 1.00 65.25 H new ATOM 0 HD22 LEU A 77 -6.002 3.783 12.106 1.00 65.25 H new ATOM 0 HD23 LEU A 77 -5.250 5.230 12.818 1.00 65.25 H new ATOM 1256 N ASN A 78 -0.704 2.890 13.712 1.00 12.34 N ATOM 1257 CA ASN A 78 0.242 1.892 14.207 1.00 42.21 C ATOM 1258 C ASN A 78 -0.239 0.447 14.001 1.00 13.32 C ATOM 1259 O ASN A 78 0.010 -0.436 14.820 1.00 24.53 O ATOM 1260 CB ASN A 78 0.642 2.198 15.656 1.00 3.23 C ATOM 1261 CG ASN A 78 1.911 1.441 16.017 1.00 61.41 C ATOM 1262 OD1 ASN A 78 2.956 1.649 15.402 1.00 55.53 O ATOM 1263 ND2 ASN A 78 1.861 0.544 16.984 1.00 22.54 N ATOM 0 H ASN A 78 -0.252 3.574 13.105 1.00 12.34 H new ATOM 0 HA ASN A 78 1.144 1.967 13.599 1.00 42.21 H new ATOM 0 HB2 ASN A 78 0.800 3.269 15.780 1.00 3.23 H new ATOM 0 HB3 ASN A 78 -0.165 1.915 16.332 1.00 3.23 H new ATOM 0 HD21 ASN A 78 2.696 0.012 17.230 1.00 22.54 H new ATOM 0 HD22 ASN A 78 0.987 0.382 17.485 1.00 22.54 H new ATOM 1270 N GLU A 79 -0.943 0.189 12.901 1.00 64.14 N ATOM 1271 CA GLU A 79 -1.402 -1.136 12.502 1.00 51.44 C ATOM 1272 C GLU A 79 -0.656 -1.555 11.227 1.00 14.33 C ATOM 1273 O GLU A 79 -0.336 -0.677 10.421 1.00 21.23 O ATOM 1274 CB GLU A 79 -2.915 -1.064 12.249 1.00 25.11 C ATOM 1275 CG GLU A 79 -3.741 -1.139 13.534 1.00 33.13 C ATOM 1276 CD GLU A 79 -3.687 -2.499 14.236 1.00 61.14 C ATOM 1277 OE1 GLU A 79 -3.673 -3.548 13.546 1.00 43.13 O ATOM 1278 OE2 GLU A 79 -3.672 -2.501 15.487 1.00 30.40 O ATOM 0 H GLU A 79 -1.217 0.920 12.244 1.00 64.14 H new ATOM 0 HA GLU A 79 -1.203 -1.873 13.280 1.00 51.44 H new ATOM 0 HB2 GLU A 79 -3.147 -0.135 11.729 1.00 25.11 H new ATOM 0 HB3 GLU A 79 -3.206 -1.881 11.588 1.00 25.11 H new ATOM 0 HG2 GLU A 79 -3.389 -0.372 14.224 1.00 33.13 H new ATOM 0 HG3 GLU A 79 -4.779 -0.905 13.299 1.00 33.13 H new ATOM 1285 N PRO A 80 -0.421 -2.860 10.998 1.00 22.44 N ATOM 1286 CA PRO A 80 0.318 -3.357 9.849 1.00 20.23 C ATOM 1287 C PRO A 80 -0.437 -3.108 8.549 1.00 41.03 C ATOM 1288 O PRO A 80 -1.673 -3.191 8.511 1.00 33.05 O ATOM 1289 CB PRO A 80 0.519 -4.861 10.073 1.00 5.14 C ATOM 1290 CG PRO A 80 -0.574 -5.234 11.064 1.00 43.15 C ATOM 1291 CD PRO A 80 -0.776 -3.960 11.869 1.00 43.42 C ATOM 0 HA PRO A 80 1.272 -2.838 9.758 1.00 20.23 H new ATOM 0 HB2 PRO A 80 0.422 -5.420 9.142 1.00 5.14 H new ATOM 0 HB3 PRO A 80 1.510 -5.076 10.472 1.00 5.14 H new ATOM 0 HG2 PRO A 80 -1.490 -5.537 10.556 1.00 43.15 H new ATOM 0 HG3 PRO A 80 -0.272 -6.066 11.700 1.00 43.15 H new ATOM 0 HD2 PRO A 80 -1.810 -3.872 12.202 1.00 43.42 H new ATOM 0 HD3 PRO A 80 -0.152 -3.963 12.763 1.00 43.42 H new ATOM 1299 N LEU A 81 0.328 -2.851 7.487 1.00 20.10 N ATOM 1300 CA LEU A 81 -0.162 -2.530 6.162 1.00 64.23 C ATOM 1301 C LEU A 81 0.208 -3.629 5.186 1.00 33.54 C ATOM 1302 O LEU A 81 1.100 -4.440 5.439 1.00 4.35 O ATOM 1303 CB LEU A 81 0.481 -1.237 5.621 1.00 61.02 C ATOM 1304 CG LEU A 81 0.482 0.003 6.516 1.00 23.41 C ATOM 1305 CD1 LEU A 81 -0.910 0.319 7.039 1.00 73.01 C ATOM 1306 CD2 LEU A 81 1.499 -0.029 7.643 1.00 41.15 C ATOM 0 H LEU A 81 1.347 -2.863 7.537 1.00 20.10 H new ATOM 0 HA LEU A 81 -1.242 -2.413 6.249 1.00 64.23 H new ATOM 0 HB2 LEU A 81 1.516 -1.463 5.365 1.00 61.02 H new ATOM 0 HB3 LEU A 81 -0.027 -0.976 4.693 1.00 61.02 H new ATOM 0 HG LEU A 81 0.803 0.815 5.864 1.00 23.41 H new ATOM 0 HD11 LEU A 81 -0.869 1.206 7.671 1.00 73.01 H new ATOM 0 HD12 LEU A 81 -1.581 0.502 6.200 1.00 73.01 H new ATOM 0 HD13 LEU A 81 -1.280 -0.525 7.622 1.00 73.01 H new ATOM 0 HD21 LEU A 81 1.427 0.890 8.224 1.00 41.15 H new ATOM 0 HD22 LEU A 81 1.299 -0.884 8.289 1.00 41.15 H new ATOM 0 HD23 LEU A 81 2.502 -0.117 7.226 1.00 41.15 H new ATOM 1318 N VAL A 82 -0.402 -3.542 4.014 1.00 13.01 N ATOM 1319 CA VAL A 82 -0.059 -4.289 2.817 1.00 43.24 C ATOM 1320 C VAL A 82 -0.349 -3.371 1.615 1.00 61.45 C ATOM 1321 O VAL A 82 -1.485 -2.947 1.416 1.00 34.44 O ATOM 1322 CB VAL A 82 -0.749 -5.677 2.851 1.00 53.13 C ATOM 1323 CG1 VAL A 82 -2.264 -5.651 3.073 1.00 72.31 C ATOM 1324 CG2 VAL A 82 -0.421 -6.524 1.621 1.00 64.14 C ATOM 0 H VAL A 82 -1.192 -2.914 3.866 1.00 13.01 H new ATOM 0 HA VAL A 82 0.996 -4.550 2.737 1.00 43.24 H new ATOM 0 HB VAL A 82 -0.320 -6.143 3.738 1.00 53.13 H new ATOM 0 HG11 VAL A 82 -2.648 -6.671 3.080 1.00 72.31 H new ATOM 0 HG12 VAL A 82 -2.484 -5.174 4.028 1.00 72.31 H new ATOM 0 HG13 VAL A 82 -2.740 -5.090 2.269 1.00 72.31 H new ATOM 0 HG21 VAL A 82 -0.929 -7.485 1.695 1.00 64.14 H new ATOM 0 HG22 VAL A 82 -0.755 -6.005 0.722 1.00 64.14 H new ATOM 0 HG23 VAL A 82 0.656 -6.686 1.567 1.00 64.14 H new ATOM 1334 N THR A 83 0.684 -2.950 0.873 1.00 52.05 N ATOM 1335 CA THR A 83 0.568 -2.062 -0.290 1.00 14.03 C ATOM 1336 C THR A 83 1.830 -2.191 -1.160 1.00 72.02 C ATOM 1337 O THR A 83 2.818 -2.801 -0.757 1.00 71.44 O ATOM 1338 CB THR A 83 0.267 -0.606 0.151 1.00 71.23 C ATOM 1339 OG1 THR A 83 -0.209 0.158 -0.943 1.00 31.13 O ATOM 1340 CG2 THR A 83 1.439 0.151 0.784 1.00 2.13 C ATOM 0 H THR A 83 1.646 -3.224 1.070 1.00 52.05 H new ATOM 0 HA THR A 83 -0.280 -2.363 -0.905 1.00 14.03 H new ATOM 0 HB THR A 83 -0.487 -0.720 0.930 1.00 71.23 H new ATOM 0 HG1 THR A 83 -0.815 0.855 -0.616 1.00 31.13 H new ATOM 0 HG21 THR A 83 1.119 1.157 1.055 1.00 2.13 H new ATOM 0 HG22 THR A 83 1.772 -0.376 1.678 1.00 2.13 H new ATOM 0 HG23 THR A 83 2.261 0.211 0.071 1.00 2.13 H new ATOM 1348 N MET A 84 1.801 -1.633 -2.365 1.00 23.34 N ATOM 1349 CA MET A 84 2.907 -1.579 -3.326 1.00 34.25 C ATOM 1350 C MET A 84 3.825 -0.385 -2.967 1.00 74.01 C ATOM 1351 O MET A 84 3.394 0.476 -2.189 1.00 34.40 O ATOM 1352 CB MET A 84 2.349 -1.464 -4.763 1.00 0.45 C ATOM 1353 CG MET A 84 1.030 -2.210 -5.018 1.00 3.44 C ATOM 1354 SD MET A 84 -0.447 -1.204 -4.672 1.00 45.43 S ATOM 1355 CE MET A 84 -1.610 -2.462 -4.090 1.00 11.41 C ATOM 0 H MET A 84 0.960 -1.180 -2.722 1.00 23.34 H new ATOM 0 HA MET A 84 3.498 -2.494 -3.278 1.00 34.25 H new ATOM 0 HB2 MET A 84 2.201 -0.409 -4.994 1.00 0.45 H new ATOM 0 HB3 MET A 84 3.100 -1.840 -5.458 1.00 0.45 H new ATOM 0 HG2 MET A 84 1.002 -2.538 -6.057 1.00 3.44 H new ATOM 0 HG3 MET A 84 1.003 -3.107 -4.399 1.00 3.44 H new ATOM 0 HE1 MET A 84 -2.618 -2.048 -4.078 1.00 11.41 H new ATOM 0 HE2 MET A 84 -1.579 -3.323 -4.758 1.00 11.41 H new ATOM 0 HE3 MET A 84 -1.334 -2.775 -3.083 1.00 11.41 H new ATOM 1365 N PRO A 85 5.058 -0.263 -3.501 1.00 64.43 N ATOM 1366 CA PRO A 85 5.904 0.900 -3.248 1.00 34.32 C ATOM 1367 C PRO A 85 5.177 2.163 -3.718 1.00 61.33 C ATOM 1368 O PRO A 85 4.721 2.226 -4.861 1.00 73.40 O ATOM 1369 CB PRO A 85 7.220 0.683 -3.997 1.00 24.31 C ATOM 1370 CG PRO A 85 7.037 -0.578 -4.841 1.00 15.21 C ATOM 1371 CD PRO A 85 5.619 -1.076 -4.566 1.00 13.50 C ATOM 0 HA PRO A 85 6.116 1.024 -2.186 1.00 34.32 H new ATOM 0 HB2 PRO A 85 7.453 1.541 -4.627 1.00 24.31 H new ATOM 0 HB3 PRO A 85 8.049 0.565 -3.299 1.00 24.31 H new ATOM 0 HG2 PRO A 85 7.174 -0.360 -5.900 1.00 15.21 H new ATOM 0 HG3 PRO A 85 7.774 -1.335 -4.573 1.00 15.21 H new ATOM 0 HD2 PRO A 85 5.008 -1.001 -5.465 1.00 13.50 H new ATOM 0 HD3 PRO A 85 5.633 -2.127 -4.277 1.00 13.50 H new ATOM 1379 N ILE A 86 4.994 3.123 -2.812 1.00 14.21 N ATOM 1380 CA ILE A 86 4.099 4.255 -3.026 1.00 11.43 C ATOM 1381 C ILE A 86 4.759 5.239 -3.981 1.00 33.31 C ATOM 1382 O ILE A 86 4.444 5.247 -5.163 1.00 2.22 O ATOM 1383 CB ILE A 86 3.675 4.895 -1.688 1.00 64.42 C ATOM 1384 CG1 ILE A 86 2.998 3.817 -0.815 1.00 51.54 C ATOM 1385 CG2 ILE A 86 2.751 6.097 -1.964 1.00 23.42 C ATOM 1386 CD1 ILE A 86 2.726 4.259 0.612 1.00 62.45 C ATOM 0 H ILE A 86 5.465 3.136 -1.907 1.00 14.21 H new ATOM 0 HA ILE A 86 3.174 3.913 -3.489 1.00 11.43 H new ATOM 0 HB ILE A 86 4.540 5.273 -1.143 1.00 64.42 H new ATOM 0 HG12 ILE A 86 2.056 3.526 -1.280 1.00 51.54 H new ATOM 0 HG13 ILE A 86 3.631 2.930 -0.795 1.00 51.54 H new ATOM 0 HG21 ILE A 86 2.451 6.550 -1.019 1.00 23.42 H new ATOM 0 HG22 ILE A 86 3.282 6.834 -2.567 1.00 23.42 H new ATOM 0 HG23 ILE A 86 1.865 5.759 -2.502 1.00 23.42 H new ATOM 0 HD11 ILE A 86 2.249 3.446 1.160 1.00 62.45 H new ATOM 0 HD12 ILE A 86 3.666 4.521 1.097 1.00 62.45 H new ATOM 0 HD13 ILE A 86 2.067 5.127 0.605 1.00 62.45 H new ATOM 1398 N GLY A 87 5.676 6.071 -3.494 1.00 71.33 N ATOM 1399 CA GLY A 87 6.455 6.956 -4.332 1.00 53.22 C ATOM 1400 C GLY A 87 7.349 6.074 -5.187 1.00 35.22 C ATOM 1401 O GLY A 87 8.254 5.451 -4.636 1.00 62.02 O ATOM 0 H GLY A 87 5.895 6.145 -2.501 1.00 71.33 H new ATOM 0 HA2 GLY A 87 5.805 7.569 -4.956 1.00 53.22 H new ATOM 0 HA3 GLY A 87 7.051 7.638 -3.726 1.00 53.22 H new ATOM 1405 N TYR A 88 7.048 5.973 -6.481 1.00 20.44 N ATOM 1406 CA TYR A 88 7.882 5.327 -7.505 1.00 43.12 C ATOM 1407 C TYR A 88 7.563 5.897 -8.889 1.00 61.33 C ATOM 1408 O TYR A 88 8.423 6.400 -9.605 1.00 10.51 O ATOM 1409 CB TYR A 88 7.698 3.804 -7.453 1.00 62.22 C ATOM 1410 CG TYR A 88 8.517 3.060 -8.491 1.00 35.52 C ATOM 1411 CD1 TYR A 88 9.870 2.756 -8.253 1.00 21.14 C ATOM 1412 CD2 TYR A 88 7.928 2.695 -9.714 1.00 64.13 C ATOM 1413 CE1 TYR A 88 10.630 2.103 -9.239 1.00 2.13 C ATOM 1414 CE2 TYR A 88 8.687 2.070 -10.716 1.00 15.52 C ATOM 1415 CZ TYR A 88 10.047 1.791 -10.486 1.00 31.55 C ATOM 1416 OH TYR A 88 10.795 1.233 -11.470 1.00 4.41 O ATOM 0 H TYR A 88 6.183 6.353 -6.864 1.00 20.44 H new ATOM 0 HA TYR A 88 8.932 5.538 -7.301 1.00 43.12 H new ATOM 0 HB2 TYR A 88 7.972 3.446 -6.461 1.00 62.22 H new ATOM 0 HB3 TYR A 88 6.644 3.568 -7.596 1.00 62.22 H new ATOM 0 HD1 TYR A 88 10.325 3.025 -7.311 1.00 21.14 H new ATOM 0 HD2 TYR A 88 6.881 2.897 -9.885 1.00 64.13 H new ATOM 0 HE1 TYR A 88 11.659 1.840 -9.043 1.00 2.13 H new ATOM 0 HE2 TYR A 88 8.230 1.805 -11.658 1.00 15.52 H new ATOM 0 HH TYR A 88 10.236 1.083 -12.261 1.00 4.41 H new ATOM 1426 N VAL A 89 6.288 5.925 -9.226 1.00 73.51 N ATOM 1427 CA VAL A 89 5.740 6.568 -10.408 1.00 73.20 C ATOM 1428 C VAL A 89 5.338 7.977 -10.010 1.00 4.20 C ATOM 1429 O VAL A 89 5.835 8.947 -10.583 1.00 41.23 O ATOM 1430 CB VAL A 89 4.541 5.786 -10.998 1.00 43.53 C ATOM 1431 CG1 VAL A 89 3.927 6.547 -12.179 1.00 34.53 C ATOM 1432 CG2 VAL A 89 4.958 4.385 -11.446 1.00 21.44 C ATOM 0 H VAL A 89 5.570 5.478 -8.656 1.00 73.51 H new ATOM 0 HA VAL A 89 6.492 6.590 -11.197 1.00 73.20 H new ATOM 0 HB VAL A 89 3.794 5.688 -10.210 1.00 43.53 H new ATOM 0 HG11 VAL A 89 3.086 5.981 -12.579 1.00 34.53 H new ATOM 0 HG12 VAL A 89 3.579 7.523 -11.841 1.00 34.53 H new ATOM 0 HG13 VAL A 89 4.679 6.679 -12.957 1.00 34.53 H new ATOM 0 HG21 VAL A 89 4.094 3.862 -11.855 1.00 21.44 H new ATOM 0 HG22 VAL A 89 5.731 4.463 -12.210 1.00 21.44 H new ATOM 0 HG23 VAL A 89 5.347 3.831 -10.592 1.00 21.44 H new ATOM 1442 N THR A 90 4.450 8.089 -9.026 1.00 33.14 N ATOM 1443 CA THR A 90 3.733 9.311 -8.734 1.00 3.52 C ATOM 1444 C THR A 90 4.712 10.417 -8.299 1.00 64.02 C ATOM 1445 O THR A 90 4.740 11.482 -8.922 1.00 22.31 O ATOM 1446 CB THR A 90 2.582 8.983 -7.769 1.00 71.11 C ATOM 1447 OG1 THR A 90 1.676 10.041 -7.787 1.00 2.41 O ATOM 1448 CG2 THR A 90 3.024 8.631 -6.348 1.00 63.21 C ATOM 0 H THR A 90 4.210 7.317 -8.404 1.00 33.14 H new ATOM 0 HA THR A 90 3.256 9.735 -9.617 1.00 3.52 H new ATOM 0 HB THR A 90 2.105 8.069 -8.124 1.00 71.11 H new ATOM 0 HG1 THR A 90 1.214 10.061 -8.651 1.00 2.41 H new ATOM 0 HG21 THR A 90 2.147 8.414 -5.737 1.00 63.21 H new ATOM 0 HG22 THR A 90 3.673 7.755 -6.375 1.00 63.21 H new ATOM 0 HG23 THR A 90 3.567 9.472 -5.917 1.00 63.21 H new ATOM 1456 N HIS A 91 5.614 10.138 -7.346 1.00 41.04 N ATOM 1457 CA HIS A 91 6.723 11.033 -6.998 1.00 23.13 C ATOM 1458 C HIS A 91 7.896 10.901 -7.992 1.00 15.42 C ATOM 1459 O HIS A 91 8.756 11.778 -8.029 1.00 42.40 O ATOM 1460 CB HIS A 91 7.189 10.764 -5.552 1.00 70.35 C ATOM 1461 CG HIS A 91 7.923 11.920 -4.899 1.00 3.05 C ATOM 1462 ND1 HIS A 91 9.038 12.570 -5.385 1.00 23.35 N ATOM 1463 CD2 HIS A 91 7.620 12.497 -3.694 1.00 1.53 C ATOM 1464 CE1 HIS A 91 9.409 13.503 -4.491 1.00 41.24 C ATOM 1465 NE2 HIS A 91 8.552 13.515 -3.454 1.00 22.15 N ATOM 0 H HIS A 91 5.593 9.281 -6.794 1.00 41.04 H new ATOM 0 HA HIS A 91 6.362 12.059 -7.064 1.00 23.13 H new ATOM 0 HB2 HIS A 91 6.319 10.514 -4.945 1.00 70.35 H new ATOM 0 HB3 HIS A 91 7.841 9.890 -5.551 1.00 70.35 H new ATOM 0 HD1 HIS A 91 9.502 12.376 -6.272 1.00 23.35 H new ATOM 0 HD2 HIS A 91 6.805 12.216 -3.043 1.00 1.53 H new ATOM 0 HE1 HIS A 91 10.269 14.148 -4.591 1.00 41.24 H new ATOM 1473 N GLY A 92 7.934 9.840 -8.805 1.00 50.45 N ATOM 1474 CA GLY A 92 9.007 9.582 -9.763 1.00 15.52 C ATOM 1475 C GLY A 92 10.256 9.026 -9.084 1.00 65.02 C ATOM 1476 O GLY A 92 11.367 9.411 -9.454 1.00 34.53 O ATOM 0 H GLY A 92 7.206 9.126 -8.814 1.00 50.45 H new ATOM 0 HA2 GLY A 92 8.659 8.876 -10.516 1.00 15.52 H new ATOM 0 HA3 GLY A 92 9.258 10.506 -10.284 1.00 15.52 H new ATOM 1480 N PHE A 93 10.091 8.162 -8.074 1.00 2.23 N ATOM 1481 CA PHE A 93 11.257 7.668 -7.332 1.00 32.10 C ATOM 1482 C PHE A 93 11.858 6.459 -8.047 1.00 64.31 C ATOM 1483 O PHE A 93 11.136 5.677 -8.667 1.00 10.24 O ATOM 1484 CB PHE A 93 10.877 7.292 -5.891 1.00 53.42 C ATOM 1485 CG PHE A 93 10.741 8.430 -4.893 1.00 63.31 C ATOM 1486 CD1 PHE A 93 11.523 9.597 -4.986 1.00 74.22 C ATOM 1487 CD2 PHE A 93 9.839 8.301 -3.823 1.00 2.20 C ATOM 1488 CE1 PHE A 93 11.335 10.649 -4.079 1.00 20.01 C ATOM 1489 CE2 PHE A 93 9.652 9.352 -2.913 1.00 72.22 C ATOM 1490 CZ PHE A 93 10.381 10.539 -3.052 1.00 65.34 C ATOM 0 H PHE A 93 9.191 7.800 -7.759 1.00 2.23 H new ATOM 0 HA PHE A 93 11.997 8.467 -7.291 1.00 32.10 H new ATOM 0 HB2 PHE A 93 9.930 6.752 -5.920 1.00 53.42 H new ATOM 0 HB3 PHE A 93 11.628 6.598 -5.513 1.00 53.42 H new ATOM 0 HD1 PHE A 93 12.271 9.682 -5.760 1.00 74.22 H new ATOM 0 HD2 PHE A 93 9.284 7.383 -3.700 1.00 2.20 H new ATOM 0 HE1 PHE A 93 11.926 11.549 -4.169 1.00 20.01 H new ATOM 0 HE2 PHE A 93 8.945 9.245 -2.104 1.00 72.22 H new ATOM 0 HZ PHE A 93 10.212 11.364 -2.376 1.00 65.34 H new ATOM 1500 N ASN A 94 13.168 6.246 -7.904 1.00 22.32 N ATOM 1501 CA ASN A 94 13.779 4.980 -8.308 1.00 72.02 C ATOM 1502 C ASN A 94 13.438 3.895 -7.292 1.00 61.01 C ATOM 1503 O ASN A 94 12.953 4.186 -6.200 1.00 71.52 O ATOM 1504 CB ASN A 94 15.296 5.116 -8.499 1.00 34.22 C ATOM 1505 CG ASN A 94 15.667 6.047 -9.643 1.00 4.32 C ATOM 1506 OD1 ASN A 94 16.579 6.854 -9.524 1.00 42.10 O ATOM 1507 ND2 ASN A 94 14.985 5.992 -10.777 1.00 31.34 N ATOM 0 H ASN A 94 13.820 6.927 -7.515 1.00 22.32 H new ATOM 0 HA ASN A 94 13.368 4.693 -9.276 1.00 72.02 H new ATOM 0 HB2 ASN A 94 15.742 5.487 -7.576 1.00 34.22 H new ATOM 0 HB3 ASN A 94 15.723 4.131 -8.686 1.00 34.22 H new ATOM 0 HD21 ASN A 94 15.221 6.620 -11.545 1.00 31.34 H new ATOM 0 HD22 ASN A 94 14.224 5.321 -10.882 1.00 31.34 H new ATOM 1514 N LEU A 95 13.702 2.629 -7.634 1.00 4.41 N ATOM 1515 CA LEU A 95 13.263 1.477 -6.836 1.00 44.21 C ATOM 1516 C LEU A 95 13.911 1.482 -5.448 1.00 21.43 C ATOM 1517 O LEU A 95 13.273 1.129 -4.460 1.00 54.23 O ATOM 1518 CB LEU A 95 13.553 0.184 -7.630 1.00 61.23 C ATOM 1519 CG LEU A 95 12.816 -1.109 -7.220 1.00 0.42 C ATOM 1520 CD1 LEU A 95 13.573 -1.882 -6.142 1.00 54.51 C ATOM 1521 CD2 LEU A 95 11.353 -0.893 -6.813 1.00 0.34 C ATOM 0 H LEU A 95 14.226 2.373 -8.471 1.00 4.41 H new ATOM 0 HA LEU A 95 12.189 1.535 -6.657 1.00 44.21 H new ATOM 0 HB2 LEU A 95 13.324 0.379 -8.678 1.00 61.23 H new ATOM 0 HB3 LEU A 95 14.624 -0.010 -7.569 1.00 61.23 H new ATOM 0 HG LEU A 95 12.791 -1.715 -8.126 1.00 0.42 H new ATOM 0 HD11 LEU A 95 13.018 -2.784 -5.884 1.00 54.51 H new ATOM 0 HD12 LEU A 95 14.559 -2.157 -6.516 1.00 54.51 H new ATOM 0 HD13 LEU A 95 13.682 -1.257 -5.255 1.00 54.51 H new ATOM 0 HD21 LEU A 95 10.907 -1.849 -6.539 1.00 0.34 H new ATOM 0 HD22 LEU A 95 11.309 -0.215 -5.961 1.00 0.34 H new ATOM 0 HD23 LEU A 95 10.803 -0.462 -7.649 1.00 0.34 H new ATOM 1533 N GLU A 96 15.163 1.933 -5.382 1.00 52.24 N ATOM 1534 CA GLU A 96 15.942 2.158 -4.171 1.00 12.04 C ATOM 1535 C GLU A 96 15.260 3.199 -3.276 1.00 1.21 C ATOM 1536 O GLU A 96 14.961 2.937 -2.111 1.00 33.43 O ATOM 1537 CB GLU A 96 17.331 2.600 -4.647 1.00 25.14 C ATOM 1538 CG GLU A 96 18.340 2.912 -3.540 1.00 75.52 C ATOM 1539 CD GLU A 96 19.742 3.124 -4.128 1.00 52.40 C ATOM 1540 OE1 GLU A 96 19.879 3.823 -5.165 1.00 2.45 O ATOM 1541 OE2 GLU A 96 20.724 2.579 -3.579 1.00 62.34 O ATOM 0 H GLU A 96 15.690 2.164 -6.224 1.00 52.24 H new ATOM 0 HA GLU A 96 16.023 1.262 -3.556 1.00 12.04 H new ATOM 0 HB2 GLU A 96 17.745 1.816 -5.281 1.00 25.14 H new ATOM 0 HB3 GLU A 96 17.217 3.487 -5.270 1.00 25.14 H new ATOM 0 HG2 GLU A 96 18.029 3.805 -2.998 1.00 75.52 H new ATOM 0 HG3 GLU A 96 18.362 2.094 -2.820 1.00 75.52 H new ATOM 1548 N GLU A 97 14.982 4.378 -3.834 1.00 12.41 N ATOM 1549 CA GLU A 97 14.353 5.494 -3.135 1.00 23.42 C ATOM 1550 C GLU A 97 12.986 5.058 -2.593 1.00 15.13 C ATOM 1551 O GLU A 97 12.677 5.238 -1.412 1.00 11.42 O ATOM 1552 CB GLU A 97 14.224 6.686 -4.090 1.00 15.52 C ATOM 1553 CG GLU A 97 15.565 7.159 -4.653 1.00 44.12 C ATOM 1554 CD GLU A 97 15.394 8.402 -5.522 1.00 23.13 C ATOM 1555 OE1 GLU A 97 14.616 8.368 -6.501 1.00 52.42 O ATOM 1556 OE2 GLU A 97 16.058 9.421 -5.215 1.00 14.04 O ATOM 0 H GLU A 97 15.194 4.586 -4.810 1.00 12.41 H new ATOM 0 HA GLU A 97 14.968 5.801 -2.289 1.00 23.42 H new ATOM 0 HB2 GLU A 97 13.568 6.411 -4.916 1.00 15.52 H new ATOM 0 HB3 GLU A 97 13.746 7.513 -3.565 1.00 15.52 H new ATOM 0 HG2 GLU A 97 16.249 7.377 -3.833 1.00 44.12 H new ATOM 0 HG3 GLU A 97 16.017 6.360 -5.242 1.00 44.12 H new ATOM 1563 N ALA A 98 12.198 4.398 -3.446 1.00 33.22 N ATOM 1564 CA ALA A 98 10.894 3.834 -3.138 1.00 32.22 C ATOM 1565 C ALA A 98 10.935 2.783 -2.022 1.00 22.21 C ATOM 1566 O ALA A 98 9.891 2.466 -1.442 1.00 12.21 O ATOM 1567 CB ALA A 98 10.316 3.219 -4.416 1.00 25.43 C ATOM 0 H ALA A 98 12.471 4.238 -4.416 1.00 33.22 H new ATOM 0 HA ALA A 98 10.262 4.642 -2.770 1.00 32.22 H new ATOM 0 HB1 ALA A 98 9.337 2.791 -4.203 1.00 25.43 H new ATOM 0 HB2 ALA A 98 10.216 3.991 -5.179 1.00 25.43 H new ATOM 0 HB3 ALA A 98 10.983 2.437 -4.777 1.00 25.43 H new ATOM 1573 N ALA A 99 12.107 2.219 -1.731 1.00 42.11 N ATOM 1574 CA ALA A 99 12.320 1.310 -0.625 1.00 1.33 C ATOM 1575 C ALA A 99 12.577 2.105 0.647 1.00 33.24 C ATOM 1576 O ALA A 99 11.834 1.945 1.618 1.00 75.44 O ATOM 1577 CB ALA A 99 13.431 0.316 -0.985 1.00 43.13 C ATOM 0 H ALA A 99 12.951 2.392 -2.277 1.00 42.11 H new ATOM 0 HA ALA A 99 11.430 0.711 -0.431 1.00 1.33 H new ATOM 0 HB1 ALA A 99 13.591 -0.368 -0.152 1.00 43.13 H new ATOM 0 HB2 ALA A 99 13.140 -0.251 -1.869 1.00 43.13 H new ATOM 0 HB3 ALA A 99 14.353 0.860 -1.190 1.00 43.13 H new ATOM 1583 N ARG A 100 13.572 2.995 0.662 1.00 34.50 N ATOM 1584 CA ARG A 100 13.936 3.686 1.897 1.00 42.33 C ATOM 1585 C ARG A 100 12.833 4.629 2.371 1.00 75.25 C ATOM 1586 O ARG A 100 12.673 4.799 3.578 1.00 71.43 O ATOM 1587 CB ARG A 100 15.281 4.412 1.735 1.00 13.15 C ATOM 1588 CG ARG A 100 15.269 5.498 0.650 1.00 55.02 C ATOM 1589 CD ARG A 100 16.523 6.369 0.682 1.00 51.53 C ATOM 1590 NE ARG A 100 17.627 5.821 -0.128 1.00 21.52 N ATOM 1591 CZ ARG A 100 18.283 6.411 -1.137 1.00 74.13 C ATOM 1592 NH1 ARG A 100 17.915 7.619 -1.571 1.00 24.23 N ATOM 1593 NH2 ARG A 100 19.299 5.782 -1.716 1.00 54.41 N ATOM 0 H ARG A 100 14.130 3.250 -0.153 1.00 34.50 H new ATOM 0 HA ARG A 100 14.054 2.934 2.677 1.00 42.33 H new ATOM 0 HB2 ARG A 100 15.556 4.865 2.687 1.00 13.15 H new ATOM 0 HB3 ARG A 100 16.052 3.680 1.496 1.00 13.15 H new ATOM 0 HG2 ARG A 100 15.182 5.028 -0.329 1.00 55.02 H new ATOM 0 HG3 ARG A 100 14.389 6.128 0.781 1.00 55.02 H new ATOM 0 HD2 ARG A 100 16.275 7.367 0.320 1.00 51.53 H new ATOM 0 HD3 ARG A 100 16.856 6.478 1.714 1.00 51.53 H new ATOM 0 HE ARG A 100 17.929 4.876 0.109 1.00 21.52 H new ATOM 0 HH11 ARG A 100 17.129 8.100 -1.134 1.00 24.23 H new ATOM 0 HH12 ARG A 100 18.420 8.060 -2.339 1.00 24.23 H new ATOM 0 HH21 ARG A 100 19.576 4.855 -1.392 1.00 54.41 H new ATOM 0 HH22 ARG A 100 19.802 6.226 -2.484 1.00 54.41 H new ATOM 1607 N CYS A 101 12.016 5.185 1.469 1.00 12.33 N ATOM 1608 CA CYS A 101 10.805 5.928 1.817 1.00 70.54 C ATOM 1609 C CYS A 101 9.980 5.153 2.835 1.00 73.52 C ATOM 1610 O CYS A 101 9.712 5.639 3.934 1.00 44.22 O ATOM 1611 CB CYS A 101 9.974 6.149 0.554 1.00 63.22 C ATOM 1612 SG CYS A 101 10.606 7.563 -0.368 1.00 10.45 S ATOM 0 H CYS A 101 12.182 5.129 0.464 1.00 12.33 H new ATOM 0 HA CYS A 101 11.088 6.886 2.252 1.00 70.54 H new ATOM 0 HB2 CYS A 101 10.004 5.256 -0.070 1.00 63.22 H new ATOM 0 HB3 CYS A 101 8.931 6.317 0.821 1.00 63.22 H new ATOM 0 HG CYS A 101 9.757 7.890 -1.297 1.00 10.45 H new ATOM 1618 N MET A 102 9.630 3.915 2.479 1.00 5.35 N ATOM 1619 CA MET A 102 8.827 3.037 3.311 1.00 3.54 C ATOM 1620 C MET A 102 9.484 2.820 4.678 1.00 61.14 C ATOM 1621 O MET A 102 8.765 2.667 5.664 1.00 0.21 O ATOM 1622 CB MET A 102 8.575 1.721 2.549 1.00 64.41 C ATOM 1623 CG MET A 102 7.652 1.930 1.340 1.00 42.10 C ATOM 1624 SD MET A 102 6.001 2.585 1.717 1.00 1.03 S ATOM 1625 CE MET A 102 5.062 1.057 1.954 1.00 62.50 C ATOM 0 H MET A 102 9.904 3.495 1.591 1.00 5.35 H new ATOM 0 HA MET A 102 7.861 3.498 3.518 1.00 3.54 H new ATOM 0 HB2 MET A 102 9.526 1.308 2.213 1.00 64.41 H new ATOM 0 HB3 MET A 102 8.130 0.990 3.224 1.00 64.41 H new ATOM 0 HG2 MET A 102 8.143 2.610 0.644 1.00 42.10 H new ATOM 0 HG3 MET A 102 7.536 0.976 0.825 1.00 42.10 H new ATOM 0 HE1 MET A 102 4.031 1.300 2.210 1.00 62.50 H new ATOM 0 HE2 MET A 102 5.080 0.473 1.034 1.00 62.50 H new ATOM 0 HE3 MET A 102 5.509 0.477 2.761 1.00 62.50 H new ATOM 1635 N ARG A 103 10.817 2.863 4.784 1.00 14.31 N ATOM 1636 CA ARG A 103 11.513 2.549 6.034 1.00 41.22 C ATOM 1637 C ARG A 103 11.395 3.647 7.082 1.00 51.33 C ATOM 1638 O ARG A 103 11.689 3.395 8.251 1.00 31.22 O ATOM 1639 CB ARG A 103 12.974 2.166 5.759 1.00 65.42 C ATOM 1640 CG ARG A 103 13.077 1.003 4.774 1.00 43.45 C ATOM 1641 CD ARG A 103 11.999 -0.065 4.948 1.00 44.15 C ATOM 1642 NE ARG A 103 12.094 -0.716 6.261 1.00 64.52 N ATOM 1643 CZ ARG A 103 11.405 -1.785 6.661 1.00 40.25 C ATOM 1644 NH1 ARG A 103 10.459 -2.316 5.890 1.00 11.34 N ATOM 1645 NH2 ARG A 103 11.712 -2.317 7.833 1.00 52.33 N ATOM 0 H ARG A 103 11.437 3.114 4.014 1.00 14.31 H new ATOM 0 HA ARG A 103 11.010 1.685 6.468 1.00 41.22 H new ATOM 0 HB2 ARG A 103 13.508 3.029 5.360 1.00 65.42 H new ATOM 0 HB3 ARG A 103 13.461 1.894 6.695 1.00 65.42 H new ATOM 0 HG2 ARG A 103 13.022 1.396 3.759 1.00 43.45 H new ATOM 0 HG3 ARG A 103 14.056 0.536 4.882 1.00 43.45 H new ATOM 0 HD2 ARG A 103 11.014 0.389 4.836 1.00 44.15 H new ATOM 0 HD3 ARG A 103 12.096 -0.813 4.162 1.00 44.15 H new ATOM 0 HE ARG A 103 12.749 -0.312 6.930 1.00 64.52 H new ATOM 0 HH11 ARG A 103 10.253 -1.905 4.980 1.00 11.34 H new ATOM 0 HH12 ARG A 103 9.940 -3.134 6.210 1.00 11.34 H new ATOM 0 HH21 ARG A 103 12.456 -1.909 8.399 1.00 52.33 H new ATOM 0 HH22 ARG A 103 11.205 -3.135 8.170 1.00 52.33 H new ATOM 1659 N SER A 104 10.937 4.842 6.703 1.00 12.23 N ATOM 1660 CA SER A 104 10.632 5.892 7.661 1.00 1.14 C ATOM 1661 C SER A 104 9.400 5.538 8.516 1.00 21.51 C ATOM 1662 O SER A 104 9.191 6.136 9.574 1.00 42.25 O ATOM 1663 CB SER A 104 10.446 7.208 6.893 1.00 23.03 C ATOM 1664 OG SER A 104 10.513 8.297 7.787 1.00 15.30 O ATOM 0 H SER A 104 10.770 5.102 5.731 1.00 12.23 H new ATOM 0 HA SER A 104 11.458 6.002 8.363 1.00 1.14 H new ATOM 0 HB2 SER A 104 11.217 7.305 6.128 1.00 23.03 H new ATOM 0 HB3 SER A 104 9.485 7.207 6.379 1.00 23.03 H new ATOM 0 HG SER A 104 10.395 9.134 7.292 1.00 15.30 H new ATOM 1670 N LEU A 105 8.557 4.591 8.083 1.00 22.34 N ATOM 1671 CA LEU A 105 7.371 4.207 8.828 1.00 12.21 C ATOM 1672 C LEU A 105 7.747 3.277 9.977 1.00 41.01 C ATOM 1673 O LEU A 105 8.442 2.285 9.776 1.00 3.52 O ATOM 1674 CB LEU A 105 6.380 3.537 7.873 1.00 54.20 C ATOM 1675 CG LEU A 105 5.040 3.149 8.514 1.00 14.54 C ATOM 1676 CD1 LEU A 105 4.352 4.298 9.257 1.00 14.33 C ATOM 1677 CD2 LEU A 105 4.110 2.655 7.404 1.00 40.10 C ATOM 0 H LEU A 105 8.685 4.078 7.211 1.00 22.34 H new ATOM 0 HA LEU A 105 6.902 5.091 9.261 1.00 12.21 H new ATOM 0 HB2 LEU A 105 6.187 4.211 7.038 1.00 54.20 H new ATOM 0 HB3 LEU A 105 6.843 2.641 7.459 1.00 54.20 H new ATOM 0 HG LEU A 105 5.248 2.380 9.258 1.00 14.54 H new ATOM 0 HD11 LEU A 105 3.412 3.945 9.682 1.00 14.33 H new ATOM 0 HD12 LEU A 105 5.001 4.654 10.057 1.00 14.33 H new ATOM 0 HD13 LEU A 105 4.153 5.113 8.562 1.00 14.33 H new ATOM 0 HD21 LEU A 105 3.149 2.372 7.834 1.00 40.10 H new ATOM 0 HD22 LEU A 105 3.961 3.450 6.673 1.00 40.10 H new ATOM 0 HD23 LEU A 105 4.557 1.790 6.913 1.00 40.10 H new ATOM 1689 N LYS A 106 7.259 3.586 11.180 1.00 51.01 N ATOM 1690 CA LYS A 106 7.473 2.759 12.366 1.00 42.42 C ATOM 1691 C LYS A 106 6.678 1.454 12.261 1.00 64.11 C ATOM 1692 O LYS A 106 7.194 0.398 12.629 1.00 5.24 O ATOM 1693 CB LYS A 106 7.096 3.519 13.643 1.00 34.24 C ATOM 1694 CG LYS A 106 7.678 4.937 13.726 1.00 44.01 C ATOM 1695 CD LYS A 106 9.199 5.082 13.799 1.00 71.32 C ATOM 1696 CE LYS A 106 9.688 4.833 15.226 1.00 75.25 C ATOM 1697 NZ LYS A 106 11.065 5.315 15.409 1.00 4.24 N ATOM 0 H LYS A 106 6.702 4.421 11.358 1.00 51.01 H new ATOM 0 HA LYS A 106 8.534 2.515 12.421 1.00 42.42 H new ATOM 0 HB2 LYS A 106 6.010 3.580 13.709 1.00 34.24 H new ATOM 0 HB3 LYS A 106 7.436 2.947 14.506 1.00 34.24 H new ATOM 0 HG2 LYS A 106 7.330 5.493 12.855 1.00 44.01 H new ATOM 0 HG3 LYS A 106 7.253 5.422 14.605 1.00 44.01 H new ATOM 0 HD2 LYS A 106 9.672 4.375 13.117 1.00 71.32 H new ATOM 0 HD3 LYS A 106 9.492 6.081 13.476 1.00 71.32 H new ATOM 0 HE2 LYS A 106 9.027 5.336 15.932 1.00 75.25 H new ATOM 0 HE3 LYS A 106 9.641 3.767 15.448 1.00 75.25 H new ATOM 0 HZ1 LYS A 106 11.370 5.133 16.387 1.00 4.24 H new ATOM 0 HZ2 LYS A 106 11.698 4.817 14.751 1.00 4.24 H new ATOM 0 HZ3 LYS A 106 11.103 6.337 15.220 1.00 4.24 H new ATOM 1711 N ALA A 107 5.426 1.529 11.791 1.00 52.22 N ATOM 1712 CA ALA A 107 4.554 0.371 11.628 1.00 1.30 C ATOM 1713 C ALA A 107 5.122 -0.577 10.566 1.00 12.25 C ATOM 1714 O ALA A 107 5.656 -0.103 9.558 1.00 41.43 O ATOM 1715 CB ALA A 107 3.139 0.820 11.229 1.00 43.33 C ATOM 0 H ALA A 107 4.990 2.408 11.512 1.00 52.22 H new ATOM 0 HA ALA A 107 4.500 -0.158 12.579 1.00 1.30 H new ATOM 0 HB1 ALA A 107 2.499 -0.055 11.111 1.00 43.33 H new ATOM 0 HB2 ALA A 107 2.730 1.466 12.005 1.00 43.33 H new ATOM 0 HB3 ALA A 107 3.183 1.367 10.287 1.00 43.33 H new ATOM 1721 N PRO A 108 4.965 -1.899 10.740 1.00 62.00 N ATOM 1722 CA PRO A 108 5.425 -2.859 9.754 1.00 1.42 C ATOM 1723 C PRO A 108 4.524 -2.816 8.514 1.00 25.40 C ATOM 1724 O PRO A 108 3.302 -2.708 8.624 1.00 22.33 O ATOM 1725 CB PRO A 108 5.417 -4.210 10.469 1.00 11.13 C ATOM 1726 CG PRO A 108 4.337 -4.053 11.535 1.00 33.43 C ATOM 1727 CD PRO A 108 4.393 -2.573 11.897 1.00 24.34 C ATOM 0 HA PRO A 108 6.427 -2.645 9.381 1.00 1.42 H new ATOM 0 HB2 PRO A 108 5.186 -5.024 9.782 1.00 11.13 H new ATOM 0 HB3 PRO A 108 6.387 -4.433 10.913 1.00 11.13 H new ATOM 0 HG2 PRO A 108 3.355 -4.334 11.154 1.00 33.43 H new ATOM 0 HG3 PRO A 108 4.536 -4.684 12.401 1.00 33.43 H new ATOM 0 HD2 PRO A 108 3.398 -2.188 12.121 1.00 24.34 H new ATOM 0 HD3 PRO A 108 5.004 -2.411 12.785 1.00 24.34 H new ATOM 1735 N ALA A 109 5.121 -2.900 7.325 1.00 34.12 N ATOM 1736 CA ALA A 109 4.437 -2.721 6.058 1.00 51.23 C ATOM 1737 C ALA A 109 4.881 -3.834 5.117 1.00 42.14 C ATOM 1738 O ALA A 109 6.074 -3.981 4.829 1.00 21.03 O ATOM 1739 CB ALA A 109 4.766 -1.333 5.506 1.00 51.23 C ATOM 0 H ALA A 109 6.116 -3.099 7.221 1.00 34.12 H new ATOM 0 HA ALA A 109 3.355 -2.780 6.174 1.00 51.23 H new ATOM 0 HB1 ALA A 109 4.256 -1.190 4.553 1.00 51.23 H new ATOM 0 HB2 ALA A 109 4.435 -0.572 6.213 1.00 51.23 H new ATOM 0 HB3 ALA A 109 5.842 -1.246 5.358 1.00 51.23 H new ATOM 1745 N VAL A 110 3.928 -4.649 4.686 1.00 23.05 N ATOM 1746 CA VAL A 110 4.122 -5.699 3.701 1.00 23.24 C ATOM 1747 C VAL A 110 4.162 -5.031 2.339 1.00 44.20 C ATOM 1748 O VAL A 110 3.128 -4.596 1.830 1.00 44.03 O ATOM 1749 CB VAL A 110 2.978 -6.717 3.829 1.00 5.35 C ATOM 1750 CG1 VAL A 110 2.910 -7.767 2.718 1.00 45.11 C ATOM 1751 CG2 VAL A 110 3.138 -7.431 5.171 1.00 14.22 C ATOM 0 H VAL A 110 2.968 -4.594 5.025 1.00 23.05 H new ATOM 0 HA VAL A 110 5.053 -6.246 3.850 1.00 23.24 H new ATOM 0 HB VAL A 110 2.050 -6.151 3.750 1.00 5.35 H new ATOM 0 HG11 VAL A 110 2.069 -8.436 2.901 1.00 45.11 H new ATOM 0 HG12 VAL A 110 2.776 -7.271 1.757 1.00 45.11 H new ATOM 0 HG13 VAL A 110 3.836 -8.342 2.704 1.00 45.11 H new ATOM 0 HG21 VAL A 110 2.339 -8.162 5.292 1.00 14.22 H new ATOM 0 HG22 VAL A 110 4.102 -7.939 5.200 1.00 14.22 H new ATOM 0 HG23 VAL A 110 3.088 -6.702 5.979 1.00 14.22 H new ATOM 1761 N VAL A 111 5.352 -4.881 1.772 1.00 4.22 N ATOM 1762 CA VAL A 111 5.470 -4.403 0.401 1.00 73.32 C ATOM 1763 C VAL A 111 5.401 -5.614 -0.530 1.00 41.33 C ATOM 1764 O VAL A 111 5.894 -6.690 -0.186 1.00 31.03 O ATOM 1765 CB VAL A 111 6.721 -3.519 0.215 1.00 45.23 C ATOM 1766 CG1 VAL A 111 6.758 -2.924 -1.202 1.00 54.53 C ATOM 1767 CG2 VAL A 111 6.724 -2.353 1.221 1.00 41.20 C ATOM 0 H VAL A 111 6.239 -5.081 2.234 1.00 4.22 H new ATOM 0 HA VAL A 111 4.642 -3.741 0.145 1.00 73.32 H new ATOM 0 HB VAL A 111 7.592 -4.153 0.379 1.00 45.23 H new ATOM 0 HG11 VAL A 111 7.648 -2.304 -1.313 1.00 54.53 H new ATOM 0 HG12 VAL A 111 6.784 -3.731 -1.935 1.00 54.53 H new ATOM 0 HG13 VAL A 111 5.869 -2.315 -1.364 1.00 54.53 H new ATOM 0 HG21 VAL A 111 7.616 -1.744 1.070 1.00 41.20 H new ATOM 0 HG22 VAL A 111 5.836 -1.739 1.070 1.00 41.20 H new ATOM 0 HG23 VAL A 111 6.723 -2.749 2.237 1.00 41.20 H new ATOM 1777 N SER A 112 4.819 -5.439 -1.713 1.00 15.14 N ATOM 1778 CA SER A 112 4.895 -6.382 -2.814 1.00 34.41 C ATOM 1779 C SER A 112 5.577 -5.672 -3.976 1.00 14.21 C ATOM 1780 O SER A 112 5.488 -4.448 -4.082 1.00 72.34 O ATOM 1781 CB SER A 112 3.485 -6.859 -3.174 1.00 21.32 C ATOM 1782 OG SER A 112 3.462 -7.658 -4.343 1.00 4.32 O ATOM 0 H SER A 112 4.266 -4.611 -1.934 1.00 15.14 H new ATOM 0 HA SER A 112 5.473 -7.268 -2.550 1.00 34.41 H new ATOM 0 HB2 SER A 112 3.075 -7.429 -2.341 1.00 21.32 H new ATOM 0 HB3 SER A 112 2.838 -5.993 -3.317 1.00 21.32 H new ATOM 0 HG SER A 112 2.534 -7.865 -4.580 1.00 4.32 H new ATOM 1788 N VAL A 113 6.188 -6.428 -4.882 1.00 3.14 N ATOM 1789 CA VAL A 113 6.703 -5.931 -6.149 1.00 11.30 C ATOM 1790 C VAL A 113 6.223 -6.802 -7.303 1.00 11.03 C ATOM 1791 O VAL A 113 5.847 -7.965 -7.113 1.00 34.24 O ATOM 1792 CB VAL A 113 8.237 -5.867 -6.154 1.00 41.13 C ATOM 1793 CG1 VAL A 113 8.780 -4.661 -5.374 1.00 4.43 C ATOM 1794 CG2 VAL A 113 8.883 -7.136 -5.583 1.00 73.14 C ATOM 0 H VAL A 113 6.342 -7.428 -4.751 1.00 3.14 H new ATOM 0 HA VAL A 113 6.320 -4.919 -6.277 1.00 11.30 H new ATOM 0 HB VAL A 113 8.504 -5.768 -7.206 1.00 41.13 H new ATOM 0 HG11 VAL A 113 9.869 -4.665 -5.410 1.00 4.43 H new ATOM 0 HG12 VAL A 113 8.405 -3.740 -5.821 1.00 4.43 H new ATOM 0 HG13 VAL A 113 8.451 -4.721 -4.336 1.00 4.43 H new ATOM 0 HG21 VAL A 113 9.968 -7.036 -5.611 1.00 73.14 H new ATOM 0 HG22 VAL A 113 8.558 -7.278 -4.552 1.00 73.14 H new ATOM 0 HG23 VAL A 113 8.583 -7.997 -6.180 1.00 73.14 H new ATOM 1804 N SER A 114 6.279 -6.245 -8.515 1.00 45.40 N ATOM 1805 CA SER A 114 5.766 -6.912 -9.695 1.00 22.33 C ATOM 1806 C SER A 114 6.553 -8.145 -10.140 1.00 5.43 C ATOM 1807 O SER A 114 6.039 -8.885 -10.978 1.00 24.53 O ATOM 1808 CB SER A 114 5.594 -5.924 -10.863 1.00 53.40 C ATOM 1809 OG SER A 114 6.535 -4.853 -10.842 1.00 20.31 O ATOM 0 H SER A 114 6.680 -5.325 -8.697 1.00 45.40 H new ATOM 0 HA SER A 114 4.791 -7.293 -9.392 1.00 22.33 H new ATOM 0 HB2 SER A 114 5.692 -6.465 -11.804 1.00 53.40 H new ATOM 0 HB3 SER A 114 4.585 -5.512 -10.835 1.00 53.40 H new ATOM 0 HG SER A 114 6.376 -4.263 -11.608 1.00 20.31 H new ATOM 1815 N SER A 115 7.774 -8.362 -9.644 1.00 3.21 N ATOM 1816 CA SER A 115 8.671 -9.386 -10.159 1.00 64.33 C ATOM 1817 C SER A 115 9.432 -10.024 -8.995 1.00 22.33 C ATOM 1818 O SER A 115 9.745 -9.322 -8.032 1.00 32.21 O ATOM 1819 CB SER A 115 9.657 -8.749 -11.144 1.00 53.31 C ATOM 1820 OG SER A 115 9.019 -7.909 -12.093 1.00 54.11 O ATOM 0 H SER A 115 8.165 -7.826 -8.869 1.00 3.21 H new ATOM 0 HA SER A 115 8.097 -10.155 -10.676 1.00 64.33 H new ATOM 0 HB2 SER A 115 10.394 -8.169 -10.589 1.00 53.31 H new ATOM 0 HB3 SER A 115 10.199 -9.536 -11.668 1.00 53.31 H new ATOM 0 HG SER A 115 9.691 -7.527 -12.696 1.00 54.11 H new ATOM 1826 N PRO A 116 9.773 -11.320 -9.079 1.00 73.23 N ATOM 1827 CA PRO A 116 10.339 -12.070 -7.969 1.00 21.43 C ATOM 1828 C PRO A 116 11.741 -11.575 -7.630 1.00 51.44 C ATOM 1829 O PRO A 116 12.064 -11.395 -6.463 1.00 4.33 O ATOM 1830 CB PRO A 116 10.331 -13.536 -8.407 1.00 55.40 C ATOM 1831 CG PRO A 116 10.357 -13.459 -9.930 1.00 71.13 C ATOM 1832 CD PRO A 116 9.605 -12.170 -10.243 1.00 30.15 C ATOM 0 HA PRO A 116 9.759 -11.940 -7.055 1.00 21.43 H new ATOM 0 HB2 PRO A 116 11.195 -14.075 -8.019 1.00 55.40 H new ATOM 0 HB3 PRO A 116 9.443 -14.056 -8.048 1.00 55.40 H new ATOM 0 HG2 PRO A 116 11.378 -13.429 -10.311 1.00 71.13 H new ATOM 0 HG3 PRO A 116 9.873 -14.324 -10.382 1.00 71.13 H new ATOM 0 HD2 PRO A 116 10.005 -11.692 -11.137 1.00 30.15 H new ATOM 0 HD3 PRO A 116 8.550 -12.369 -10.433 1.00 30.15 H new ATOM 1840 N ASP A 117 12.583 -11.291 -8.624 1.00 74.14 N ATOM 1841 CA ASP A 117 13.964 -10.868 -8.388 1.00 44.11 C ATOM 1842 C ASP A 117 13.996 -9.624 -7.492 1.00 52.13 C ATOM 1843 O ASP A 117 14.811 -9.521 -6.577 1.00 51.50 O ATOM 1844 CB ASP A 117 14.669 -10.518 -9.713 1.00 53.21 C ATOM 1845 CG ASP A 117 14.761 -11.621 -10.769 1.00 11.11 C ATOM 1846 OD1 ASP A 117 14.231 -12.728 -10.590 1.00 71.52 O ATOM 1847 OD2 ASP A 117 15.298 -11.310 -11.867 1.00 55.53 O ATOM 0 H ASP A 117 12.329 -11.347 -9.610 1.00 74.14 H new ATOM 0 HA ASP A 117 14.479 -11.698 -7.904 1.00 44.11 H new ATOM 0 HB2 ASP A 117 14.151 -9.668 -10.157 1.00 53.21 H new ATOM 0 HB3 ASP A 117 15.681 -10.188 -9.480 1.00 53.21 H new ATOM 1852 N ALA A 118 13.053 -8.700 -7.723 1.00 40.21 N ATOM 1853 CA ALA A 118 13.017 -7.401 -7.066 1.00 40.54 C ATOM 1854 C ALA A 118 12.697 -7.525 -5.578 1.00 40.01 C ATOM 1855 O ALA A 118 12.989 -6.597 -4.831 1.00 54.14 O ATOM 1856 CB ALA A 118 11.990 -6.489 -7.750 1.00 52.22 C ATOM 0 H ALA A 118 12.287 -8.843 -8.381 1.00 40.21 H new ATOM 0 HA ALA A 118 14.010 -6.961 -7.156 1.00 40.54 H new ATOM 0 HB1 ALA A 118 11.973 -5.521 -7.249 1.00 52.22 H new ATOM 0 HB2 ALA A 118 12.265 -6.352 -8.796 1.00 52.22 H new ATOM 0 HB3 ALA A 118 11.002 -6.945 -7.691 1.00 52.22 H new ATOM 1862 N VAL A 119 12.113 -8.645 -5.143 1.00 43.53 N ATOM 1863 CA VAL A 119 11.788 -8.922 -3.750 1.00 54.31 C ATOM 1864 C VAL A 119 13.078 -8.831 -2.933 1.00 43.40 C ATOM 1865 O VAL A 119 13.133 -8.109 -1.936 1.00 3.41 O ATOM 1866 CB VAL A 119 11.106 -10.307 -3.662 1.00 53.25 C ATOM 1867 CG1 VAL A 119 10.657 -10.666 -2.239 1.00 10.33 C ATOM 1868 CG2 VAL A 119 9.845 -10.358 -4.534 1.00 32.25 C ATOM 0 H VAL A 119 11.848 -9.403 -5.772 1.00 43.53 H new ATOM 0 HA VAL A 119 11.086 -8.196 -3.340 1.00 54.31 H new ATOM 0 HB VAL A 119 11.863 -11.014 -4.001 1.00 53.25 H new ATOM 0 HG11 VAL A 119 10.186 -11.649 -2.243 1.00 10.33 H new ATOM 0 HG12 VAL A 119 11.523 -10.681 -1.577 1.00 10.33 H new ATOM 0 HG13 VAL A 119 9.943 -9.923 -1.884 1.00 10.33 H new ATOM 0 HG21 VAL A 119 9.386 -11.343 -4.453 1.00 32.25 H new ATOM 0 HG22 VAL A 119 9.138 -9.600 -4.197 1.00 32.25 H new ATOM 0 HG23 VAL A 119 10.113 -10.167 -5.573 1.00 32.25 H new ATOM 1878 N THR A 120 14.131 -9.504 -3.404 1.00 72.22 N ATOM 1879 CA THR A 120 15.461 -9.448 -2.829 1.00 20.40 C ATOM 1880 C THR A 120 16.018 -8.025 -2.906 1.00 0.14 C ATOM 1881 O THR A 120 16.418 -7.483 -1.873 1.00 43.31 O ATOM 1882 CB THR A 120 16.349 -10.465 -3.566 1.00 52.35 C ATOM 1883 OG1 THR A 120 15.901 -11.787 -3.295 1.00 60.22 O ATOM 1884 CG2 THR A 120 17.809 -10.342 -3.149 1.00 2.12 C ATOM 0 H THR A 120 14.072 -10.117 -4.217 1.00 72.22 H new ATOM 0 HA THR A 120 15.433 -9.711 -1.772 1.00 20.40 H new ATOM 0 HB THR A 120 16.274 -10.253 -4.633 1.00 52.35 H new ATOM 0 HG1 THR A 120 16.470 -12.429 -3.769 1.00 60.22 H new ATOM 0 HG21 THR A 120 18.405 -11.076 -3.691 1.00 2.12 H new ATOM 0 HG22 THR A 120 18.170 -9.340 -3.380 1.00 2.12 H new ATOM 0 HG23 THR A 120 17.898 -10.522 -2.078 1.00 2.12 H new ATOM 1892 N THR A 121 16.063 -7.440 -4.105 1.00 40.53 N ATOM 1893 CA THR A 121 16.711 -6.163 -4.385 1.00 62.05 C ATOM 1894 C THR A 121 16.156 -5.067 -3.467 1.00 43.50 C ATOM 1895 O THR A 121 16.908 -4.372 -2.780 1.00 71.50 O ATOM 1896 CB THR A 121 16.488 -5.846 -5.877 1.00 62.43 C ATOM 1897 OG1 THR A 121 16.663 -7.001 -6.679 1.00 55.30 O ATOM 1898 CG2 THR A 121 17.369 -4.721 -6.412 1.00 50.43 C ATOM 0 H THR A 121 15.635 -7.857 -4.932 1.00 40.53 H new ATOM 0 HA THR A 121 17.781 -6.214 -4.185 1.00 62.05 H new ATOM 0 HB THR A 121 15.456 -5.500 -5.940 1.00 62.43 H new ATOM 0 HG1 THR A 121 16.514 -6.771 -7.620 1.00 55.30 H new ATOM 0 HG21 THR A 121 17.152 -4.559 -7.468 1.00 50.43 H new ATOM 0 HG22 THR A 121 17.168 -3.805 -5.856 1.00 50.43 H new ATOM 0 HG23 THR A 121 18.418 -4.993 -6.295 1.00 50.43 H new ATOM 1906 N TYR A 122 14.828 -4.949 -3.415 1.00 21.14 N ATOM 1907 CA TYR A 122 14.113 -3.984 -2.601 1.00 11.04 C ATOM 1908 C TYR A 122 14.423 -4.217 -1.119 1.00 52.40 C ATOM 1909 O TYR A 122 14.741 -3.261 -0.414 1.00 14.54 O ATOM 1910 CB TYR A 122 12.615 -4.113 -2.905 1.00 51.44 C ATOM 1911 CG TYR A 122 11.726 -3.038 -2.310 1.00 41.44 C ATOM 1912 CD1 TYR A 122 11.214 -3.176 -1.009 1.00 33.32 C ATOM 1913 CD2 TYR A 122 11.377 -1.911 -3.076 1.00 53.33 C ATOM 1914 CE1 TYR A 122 10.337 -2.211 -0.485 1.00 33.44 C ATOM 1915 CE2 TYR A 122 10.517 -0.929 -2.557 1.00 63.54 C ATOM 1916 CZ TYR A 122 9.981 -1.084 -1.260 1.00 30.41 C ATOM 1917 OH TYR A 122 9.162 -0.131 -0.734 1.00 10.03 O ATOM 0 H TYR A 122 14.206 -5.546 -3.960 1.00 21.14 H new ATOM 0 HA TYR A 122 14.430 -2.968 -2.836 1.00 11.04 H new ATOM 0 HB2 TYR A 122 12.482 -4.111 -3.987 1.00 51.44 H new ATOM 0 HB3 TYR A 122 12.272 -5.083 -2.544 1.00 51.44 H new ATOM 0 HD1 TYR A 122 11.496 -4.028 -0.408 1.00 33.32 H new ATOM 0 HD2 TYR A 122 11.775 -1.799 -4.074 1.00 53.33 H new ATOM 0 HE1 TYR A 122 9.935 -2.331 0.510 1.00 33.44 H new ATOM 0 HE2 TYR A 122 10.267 -0.060 -3.147 1.00 63.54 H new ATOM 0 HH TYR A 122 9.409 0.747 -1.092 1.00 10.03 H new ATOM 1927 N ASN A 123 14.378 -5.475 -0.651 1.00 1.11 N ATOM 1928 CA ASN A 123 14.719 -5.817 0.735 1.00 41.41 C ATOM 1929 C ASN A 123 16.158 -5.422 1.078 1.00 44.10 C ATOM 1930 O ASN A 123 16.422 -5.010 2.205 1.00 21.31 O ATOM 1931 CB ASN A 123 14.484 -7.313 1.050 1.00 31.01 C ATOM 1932 CG ASN A 123 13.198 -7.593 1.828 1.00 70.13 C ATOM 1933 OD1 ASN A 123 12.515 -6.696 2.322 1.00 10.33 O ATOM 1934 ND2 ASN A 123 12.795 -8.844 1.951 1.00 3.33 N ATOM 0 H ASN A 123 14.106 -6.277 -1.220 1.00 1.11 H new ATOM 0 HA ASN A 123 14.043 -5.238 1.364 1.00 41.41 H new ATOM 0 HB2 ASN A 123 14.458 -7.871 0.114 1.00 31.01 H new ATOM 0 HB3 ASN A 123 15.332 -7.690 1.622 1.00 31.01 H new ATOM 0 HD21 ASN A 123 11.930 -9.055 2.449 1.00 3.33 H new ATOM 0 HD22 ASN A 123 13.348 -9.600 1.548 1.00 3.33 H new ATOM 1941 N GLY A 124 17.086 -5.513 0.124 1.00 4.43 N ATOM 1942 CA GLY A 124 18.463 -5.089 0.319 1.00 2.53 C ATOM 1943 C GLY A 124 18.558 -3.580 0.525 1.00 24.44 C ATOM 1944 O GLY A 124 19.231 -3.122 1.454 1.00 62.10 O ATOM 0 H GLY A 124 16.898 -5.885 -0.807 1.00 4.43 H new ATOM 0 HA2 GLY A 124 18.884 -5.603 1.183 1.00 2.53 H new ATOM 0 HA3 GLY A 124 19.060 -5.378 -0.546 1.00 2.53 H new ATOM 1948 N TYR A 125 17.859 -2.801 -0.310 1.00 74.41 N ATOM 1949 CA TYR A 125 17.886 -1.341 -0.261 1.00 45.45 C ATOM 1950 C TYR A 125 17.391 -0.773 1.071 1.00 11.32 C ATOM 1951 O TYR A 125 17.640 0.401 1.355 1.00 65.43 O ATOM 1952 CB TYR A 125 17.064 -0.736 -1.405 1.00 44.04 C ATOM 1953 CG TYR A 125 17.632 -0.902 -2.801 1.00 5.22 C ATOM 1954 CD1 TYR A 125 18.978 -0.587 -3.078 1.00 1.01 C ATOM 1955 CD2 TYR A 125 16.767 -1.243 -3.854 1.00 42.31 C ATOM 1956 CE1 TYR A 125 19.445 -0.590 -4.403 1.00 72.12 C ATOM 1957 CE2 TYR A 125 17.226 -1.239 -5.180 1.00 23.34 C ATOM 1958 CZ TYR A 125 18.569 -0.905 -5.463 1.00 70.15 C ATOM 1959 OH TYR A 125 19.001 -0.815 -6.751 1.00 51.15 O ATOM 0 H TYR A 125 17.255 -3.173 -1.043 1.00 74.41 H new ATOM 0 HA TYR A 125 18.934 -1.062 -0.369 1.00 45.45 H new ATOM 0 HB2 TYR A 125 16.070 -1.182 -1.385 1.00 44.04 H new ATOM 0 HB3 TYR A 125 16.939 0.329 -1.211 1.00 44.04 H new ATOM 0 HD1 TYR A 125 19.652 -0.343 -2.270 1.00 1.01 H new ATOM 0 HD2 TYR A 125 15.742 -1.510 -3.642 1.00 42.31 H new ATOM 0 HE1 TYR A 125 20.477 -0.351 -4.611 1.00 72.12 H new ATOM 0 HE2 TYR A 125 16.552 -1.492 -5.985 1.00 23.34 H new ATOM 0 HH TYR A 125 18.274 -1.068 -7.358 1.00 51.15 H new ATOM 1969 N LEU A 126 16.729 -1.580 1.904 1.00 31.05 N ATOM 1970 CA LEU A 126 16.253 -1.186 3.231 1.00 52.24 C ATOM 1971 C LEU A 126 17.389 -0.932 4.215 1.00 22.24 C ATOM 1972 O LEU A 126 17.168 -0.343 5.277 1.00 3.11 O ATOM 1973 CB LEU A 126 15.320 -2.235 3.815 1.00 43.20 C ATOM 1974 CG LEU A 126 14.160 -2.592 2.878 1.00 24.42 C ATOM 1975 CD1 LEU A 126 13.119 -3.280 3.727 1.00 4.32 C ATOM 1976 CD2 LEU A 126 13.569 -1.386 2.157 1.00 51.12 C ATOM 0 H LEU A 126 16.504 -2.547 1.669 1.00 31.05 H new ATOM 0 HA LEU A 126 15.713 -0.250 3.086 1.00 52.24 H new ATOM 0 HB2 LEU A 126 15.890 -3.137 4.038 1.00 43.20 H new ATOM 0 HB3 LEU A 126 14.918 -1.870 4.760 1.00 43.20 H new ATOM 0 HG LEU A 126 14.525 -3.239 2.080 1.00 24.42 H new ATOM 0 HD11 LEU A 126 12.267 -3.557 3.105 1.00 4.32 H new ATOM 0 HD12 LEU A 126 13.548 -4.177 4.174 1.00 4.32 H new ATOM 0 HD13 LEU A 126 12.788 -2.604 4.516 1.00 4.32 H new ATOM 0 HD21 LEU A 126 12.753 -1.712 1.511 1.00 51.12 H new ATOM 0 HD22 LEU A 126 13.189 -0.674 2.890 1.00 51.12 H new ATOM 0 HD23 LEU A 126 14.341 -0.909 1.553 1.00 51.12 H new