USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 951 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 33 MET CE :methyl 170:sc= -3.16! (180deg=-1.95!) USER MOD Set 1.2: A 85 CYS SG : rot 86:sc= -0.0425 USER MOD Set 2.1: A 28 MET CE :methyl -123:sc= -0.981 (180deg=-1.65) USER MOD Set 2.2: A 84 GLN : amide:sc= -0.126 K(o=-1.1,f=-2.1) USER MOD Single : A 1 MET CE :methyl 179:sc= -0.819 (180deg=-0.822) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0454 (180deg=-0.326) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.558 K(o=0.56,f=-3.4!) USER MOD Single : A 17 SER OG : rot 160:sc= 0.0967 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 0.283 (180deg=-0.542) USER MOD Single : A 26 SER OG : rot 160:sc= -0.0533 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0663) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 86:sc= 0.0555 USER MOD Single : A 41 ASN : amide:sc= 0.0388 X(o=0.039,f=-0.45) USER MOD Single : A 49 TYR OH : rot 120:sc=-0.00923 USER MOD Single : A 59 ASN : amide:sc= -1.04! C(o=-1!,f=-9.6!) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0.364 (180deg=0.14) USER MOD Single : A 78 GLN : amide:sc= -0.758 K(o=-0.76,f=-2.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.06! C(o=-1.1!,f=-6.7!) USER MOD Single : A 97 MET CE :methyl -131:sc= -0.668 (180deg=-2.1!) USER MOD Single : A 98 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.2!) USER MOD Single : A 101 GLN :FLIP amide:sc= -0.24 F(o=-2.4!,f=-0.24) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 120 LYS NZ :NH3+ -150:sc= 0.983 (180deg=0.462) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 138:sc= 0.957 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.975 -0.805 -0.444 1.00 1.52 N ATOM 2 CA MET A 1 -12.623 -0.546 -1.031 1.00 32.31 C ATOM 3 C MET A 1 -12.433 -1.305 -2.369 1.00 71.42 C ATOM 4 O MET A 1 -13.262 -2.145 -2.734 1.00 63.23 O ATOM 5 CB MET A 1 -11.531 -0.931 0.003 1.00 23.21 C ATOM 6 CG MET A 1 -11.503 -2.422 0.375 1.00 3.24 C ATOM 7 SD MET A 1 -10.674 -2.734 1.948 1.00 62.14 S ATOM 8 CE MET A 1 -9.040 -2.072 1.668 1.00 35.41 C ATOM 0 H1 MET A 1 -13.871 -1.114 0.544 1.00 1.52 H new ATOM 0 H2 MET A 1 -14.540 0.067 -0.476 1.00 1.52 H new ATOM 0 H3 MET A 1 -14.454 -1.549 -0.991 1.00 1.52 H new ATOM 0 HA MET A 1 -12.533 0.516 -1.259 1.00 32.31 H new ATOM 0 HB2 MET A 1 -10.556 -0.651 -0.396 1.00 23.21 H new ATOM 0 HB3 MET A 1 -11.685 -0.346 0.910 1.00 23.21 H new ATOM 0 HG2 MET A 1 -12.525 -2.798 0.427 1.00 3.24 H new ATOM 0 HG3 MET A 1 -10.998 -2.979 -0.414 1.00 3.24 H new ATOM 0 HE1 MET A 1 -8.440 -2.189 2.571 1.00 35.41 H new ATOM 0 HE2 MET A 1 -8.566 -2.608 0.846 1.00 35.41 H new ATOM 0 HE3 MET A 1 -9.114 -1.014 1.416 1.00 35.41 H new ATOM 20 N ARG A 2 -11.338 -1.005 -3.099 1.00 71.41 N ATOM 21 CA ARG A 2 -11.048 -1.643 -4.413 1.00 12.02 C ATOM 22 C ARG A 2 -10.180 -2.918 -4.237 1.00 21.45 C ATOM 23 O ARG A 2 -9.371 -3.008 -3.310 1.00 1.24 O ATOM 24 CB ARG A 2 -10.359 -0.633 -5.388 1.00 43.24 C ATOM 25 CG ARG A 2 -11.283 0.466 -5.997 1.00 34.51 C ATOM 26 CD ARG A 2 -11.857 1.444 -4.959 1.00 42.34 C ATOM 27 NE ARG A 2 -12.741 2.466 -5.551 1.00 30.51 N ATOM 28 CZ ARG A 2 -13.255 3.490 -4.896 1.00 72.52 C ATOM 29 NH1 ARG A 2 -12.983 3.690 -3.640 1.00 33.11 N ATOM 30 NH2 ARG A 2 -14.029 4.322 -5.513 1.00 40.11 N ATOM 0 H ARG A 2 -10.636 -0.325 -2.806 1.00 71.41 H new ATOM 0 HA ARG A 2 -11.999 -1.942 -4.853 1.00 12.02 H new ATOM 0 HB2 ARG A 2 -9.545 -0.141 -4.855 1.00 43.24 H new ATOM 0 HB3 ARG A 2 -9.910 -1.197 -6.206 1.00 43.24 H new ATOM 0 HG2 ARG A 2 -10.719 1.030 -6.740 1.00 34.51 H new ATOM 0 HG3 ARG A 2 -12.108 -0.017 -6.522 1.00 34.51 H new ATOM 0 HD2 ARG A 2 -12.413 0.882 -4.209 1.00 42.34 H new ATOM 0 HD3 ARG A 2 -11.035 1.939 -4.442 1.00 42.34 H new ATOM 0 HE ARG A 2 -12.972 2.374 -6.540 1.00 30.51 H new ATOM 0 HH11 ARG A 2 -12.363 3.050 -3.144 1.00 33.11 H new ATOM 0 HH12 ARG A 2 -13.390 4.487 -3.151 1.00 33.11 H new ATOM 0 HH21 ARG A 2 -14.240 4.185 -6.502 1.00 40.11 H new ATOM 0 HH22 ARG A 2 -14.429 5.115 -5.011 1.00 40.11 H new ATOM 44 N SER A 3 -10.371 -3.892 -5.146 1.00 1.21 N ATOM 45 CA SER A 3 -9.663 -5.200 -5.123 1.00 74.32 C ATOM 46 C SER A 3 -8.183 -5.080 -5.568 1.00 42.42 C ATOM 47 O SER A 3 -7.833 -4.154 -6.290 1.00 30.43 O ATOM 48 CB SER A 3 -10.408 -6.197 -6.039 1.00 4.12 C ATOM 49 OG SER A 3 -11.763 -6.375 -5.631 1.00 52.53 O ATOM 0 H SER A 3 -11.023 -3.800 -5.925 1.00 1.21 H new ATOM 0 HA SER A 3 -9.659 -5.558 -4.094 1.00 74.32 H new ATOM 0 HB2 SER A 3 -10.382 -5.836 -7.067 1.00 4.12 H new ATOM 0 HB3 SER A 3 -9.894 -7.158 -6.025 1.00 4.12 H new ATOM 0 HG SER A 3 -12.205 -7.010 -6.233 1.00 52.53 H new ATOM 55 N ALA A 4 -7.329 -6.048 -5.156 1.00 23.44 N ATOM 56 CA ALA A 4 -5.871 -6.037 -5.476 1.00 52.44 C ATOM 57 C ALA A 4 -5.607 -6.090 -6.995 1.00 51.53 C ATOM 58 O ALA A 4 -4.751 -5.371 -7.508 1.00 2.20 O ATOM 59 CB ALA A 4 -5.155 -7.202 -4.781 1.00 64.54 C ATOM 0 H ALA A 4 -7.621 -6.851 -4.599 1.00 23.44 H new ATOM 0 HA ALA A 4 -5.472 -5.094 -5.103 1.00 52.44 H new ATOM 0 HB1 ALA A 4 -4.094 -7.176 -5.027 1.00 64.54 H new ATOM 0 HB2 ALA A 4 -5.279 -7.114 -3.702 1.00 64.54 H new ATOM 0 HB3 ALA A 4 -5.583 -8.146 -5.119 1.00 64.54 H new ATOM 65 N THR A 5 -6.353 -6.962 -7.690 1.00 2.45 N ATOM 66 CA THR A 5 -6.310 -7.071 -9.172 1.00 25.43 C ATOM 67 C THR A 5 -6.828 -5.784 -9.869 1.00 73.13 C ATOM 68 O THR A 5 -6.310 -5.392 -10.922 1.00 25.35 O ATOM 69 CB THR A 5 -7.097 -8.331 -9.685 1.00 4.11 C ATOM 70 OG1 THR A 5 -7.296 -8.274 -11.113 1.00 43.41 O ATOM 71 CG2 THR A 5 -8.440 -8.523 -8.957 1.00 73.21 C ATOM 0 H THR A 5 -7.004 -7.613 -7.251 1.00 2.45 H new ATOM 0 HA THR A 5 -5.261 -7.193 -9.441 1.00 25.43 H new ATOM 0 HB THR A 5 -6.480 -9.199 -9.454 1.00 4.11 H new ATOM 0 HG1 THR A 5 -7.786 -9.070 -11.407 1.00 43.41 H new ATOM 0 HG21 THR A 5 -8.943 -9.407 -9.349 1.00 73.21 H new ATOM 0 HG22 THR A 5 -8.260 -8.651 -7.890 1.00 73.21 H new ATOM 0 HG23 THR A 5 -9.069 -7.647 -9.116 1.00 73.21 H new ATOM 79 N ASP A 6 -7.837 -5.127 -9.263 1.00 61.03 N ATOM 80 CA ASP A 6 -8.392 -3.843 -9.765 1.00 55.04 C ATOM 81 C ASP A 6 -7.344 -2.692 -9.655 1.00 71.33 C ATOM 82 O ASP A 6 -7.242 -1.835 -10.541 1.00 2.20 O ATOM 83 CB ASP A 6 -9.684 -3.510 -8.974 1.00 14.43 C ATOM 84 CG ASP A 6 -10.484 -2.337 -9.569 1.00 12.20 C ATOM 85 OD1 ASP A 6 -11.189 -2.549 -10.580 1.00 12.34 O ATOM 86 OD2 ASP A 6 -10.414 -1.210 -9.037 1.00 13.45 O ATOM 0 H ASP A 6 -8.292 -5.465 -8.415 1.00 61.03 H new ATOM 0 HA ASP A 6 -8.636 -3.945 -10.822 1.00 55.04 H new ATOM 0 HB2 ASP A 6 -10.320 -4.395 -8.944 1.00 14.43 H new ATOM 0 HB3 ASP A 6 -9.419 -3.273 -7.944 1.00 14.43 H new ATOM 91 N LEU A 7 -6.577 -2.694 -8.548 1.00 32.52 N ATOM 92 CA LEU A 7 -5.438 -1.762 -8.336 1.00 50.55 C ATOM 93 C LEU A 7 -4.265 -2.073 -9.298 1.00 35.40 C ATOM 94 O LEU A 7 -3.611 -1.164 -9.828 1.00 63.21 O ATOM 95 CB LEU A 7 -4.934 -1.838 -6.870 1.00 12.10 C ATOM 96 CG LEU A 7 -5.985 -1.571 -5.749 1.00 44.14 C ATOM 97 CD1 LEU A 7 -5.314 -1.581 -4.365 1.00 13.41 C ATOM 98 CD2 LEU A 7 -6.762 -0.260 -5.991 1.00 43.23 C ATOM 0 H LEU A 7 -6.724 -3.339 -7.772 1.00 32.52 H new ATOM 0 HA LEU A 7 -5.801 -0.755 -8.544 1.00 50.55 H new ATOM 0 HB2 LEU A 7 -4.509 -2.829 -6.708 1.00 12.10 H new ATOM 0 HB3 LEU A 7 -4.122 -1.120 -6.752 1.00 12.10 H new ATOM 0 HG LEU A 7 -6.715 -2.380 -5.778 1.00 44.14 H new ATOM 0 HD11 LEU A 7 -6.063 -1.393 -3.596 1.00 13.41 H new ATOM 0 HD12 LEU A 7 -4.852 -2.553 -4.192 1.00 13.41 H new ATOM 0 HD13 LEU A 7 -4.550 -0.804 -4.325 1.00 13.41 H new ATOM 0 HD21 LEU A 7 -7.484 -0.111 -5.188 1.00 43.23 H new ATOM 0 HD22 LEU A 7 -6.065 0.578 -6.012 1.00 43.23 H new ATOM 0 HD23 LEU A 7 -7.287 -0.319 -6.944 1.00 43.23 H new ATOM 110 N LEU A 8 -4.019 -3.381 -9.507 1.00 71.43 N ATOM 111 CA LEU A 8 -2.948 -3.890 -10.397 1.00 75.23 C ATOM 112 C LEU A 8 -3.216 -3.509 -11.873 1.00 34.31 C ATOM 113 O LEU A 8 -2.280 -3.342 -12.668 1.00 35.24 O ATOM 114 CB LEU A 8 -2.828 -5.430 -10.251 1.00 63.53 C ATOM 115 CG LEU A 8 -1.616 -6.094 -10.981 1.00 31.45 C ATOM 116 CD1 LEU A 8 -0.273 -5.675 -10.338 1.00 43.31 C ATOM 117 CD2 LEU A 8 -1.767 -7.630 -11.035 1.00 34.13 C ATOM 0 H LEU A 8 -4.560 -4.122 -9.061 1.00 71.43 H new ATOM 0 HA LEU A 8 -2.007 -3.427 -10.099 1.00 75.23 H new ATOM 0 HB2 LEU A 8 -2.764 -5.671 -9.190 1.00 63.53 H new ATOM 0 HB3 LEU A 8 -3.746 -5.883 -10.626 1.00 63.53 H new ATOM 0 HG LEU A 8 -1.610 -5.732 -12.009 1.00 31.45 H new ATOM 0 HD11 LEU A 8 0.550 -6.154 -10.869 1.00 43.31 H new ATOM 0 HD12 LEU A 8 -0.163 -4.592 -10.399 1.00 43.31 H new ATOM 0 HD13 LEU A 8 -0.258 -5.983 -9.293 1.00 43.31 H new ATOM 0 HD21 LEU A 8 -0.908 -8.062 -11.549 1.00 34.13 H new ATOM 0 HD22 LEU A 8 -1.820 -8.026 -10.021 1.00 34.13 H new ATOM 0 HD23 LEU A 8 -2.679 -7.887 -11.573 1.00 34.13 H new ATOM 129 N ASP A 9 -4.515 -3.374 -12.217 1.00 70.04 N ATOM 130 CA ASP A 9 -4.965 -2.923 -13.546 1.00 3.35 C ATOM 131 C ASP A 9 -4.399 -1.523 -13.893 1.00 42.41 C ATOM 132 O ASP A 9 -4.084 -1.260 -15.049 1.00 35.22 O ATOM 133 CB ASP A 9 -6.512 -2.913 -13.607 1.00 75.43 C ATOM 134 CG ASP A 9 -7.059 -2.612 -15.015 1.00 23.15 C ATOM 135 OD1 ASP A 9 -6.980 -3.503 -15.884 1.00 54.53 O ATOM 136 OD2 ASP A 9 -7.540 -1.485 -15.271 1.00 34.21 O ATOM 0 H ASP A 9 -5.282 -3.576 -11.576 1.00 70.04 H new ATOM 0 HA ASP A 9 -4.583 -3.625 -14.288 1.00 3.35 H new ATOM 0 HB2 ASP A 9 -6.889 -3.881 -13.276 1.00 75.43 H new ATOM 0 HB3 ASP A 9 -6.892 -2.167 -12.909 1.00 75.43 H new ATOM 141 N GLU A 10 -4.261 -0.637 -12.878 1.00 61.14 N ATOM 142 CA GLU A 10 -3.616 0.683 -13.066 1.00 1.41 C ATOM 143 C GLU A 10 -2.090 0.511 -13.253 1.00 24.44 C ATOM 144 O GLU A 10 -1.519 1.012 -14.219 1.00 74.05 O ATOM 145 CB GLU A 10 -3.900 1.650 -11.876 1.00 24.12 C ATOM 146 CG GLU A 10 -3.282 3.061 -12.067 1.00 2.43 C ATOM 147 CD GLU A 10 -3.481 4.011 -10.878 1.00 75.13 C ATOM 148 OE1 GLU A 10 -4.610 4.510 -10.690 1.00 24.25 O ATOM 149 OE2 GLU A 10 -2.513 4.262 -10.124 1.00 65.51 O ATOM 0 H GLU A 10 -4.586 -0.811 -11.927 1.00 61.14 H new ATOM 0 HA GLU A 10 -4.046 1.129 -13.963 1.00 1.41 H new ATOM 0 HB2 GLU A 10 -4.978 1.748 -11.747 1.00 24.12 H new ATOM 0 HB3 GLU A 10 -3.507 1.211 -10.959 1.00 24.12 H new ATOM 0 HG2 GLU A 10 -2.214 2.953 -12.254 1.00 2.43 H new ATOM 0 HG3 GLU A 10 -3.717 3.517 -12.956 1.00 2.43 H new ATOM 156 N LEU A 11 -1.467 -0.252 -12.336 1.00 73.53 N ATOM 157 CA LEU A 11 0.007 -0.441 -12.258 1.00 14.10 C ATOM 158 C LEU A 11 0.643 -0.960 -13.586 1.00 35.32 C ATOM 159 O LEU A 11 1.676 -0.449 -14.034 1.00 32.04 O ATOM 160 CB LEU A 11 0.312 -1.426 -11.087 1.00 54.34 C ATOM 161 CG LEU A 11 -0.096 -0.932 -9.654 1.00 34.25 C ATOM 162 CD1 LEU A 11 -0.052 -2.078 -8.613 1.00 1.24 C ATOM 163 CD2 LEU A 11 0.797 0.251 -9.214 1.00 43.31 C ATOM 0 H LEU A 11 -1.974 -0.765 -11.615 1.00 73.53 H new ATOM 0 HA LEU A 11 0.459 0.535 -12.080 1.00 14.10 H new ATOM 0 HB2 LEU A 11 -0.201 -2.367 -11.286 1.00 54.34 H new ATOM 0 HB3 LEU A 11 1.381 -1.640 -11.086 1.00 54.34 H new ATOM 0 HG LEU A 11 -1.129 -0.587 -9.706 1.00 34.25 H new ATOM 0 HD11 LEU A 11 -0.341 -1.693 -7.635 1.00 1.24 H new ATOM 0 HD12 LEU A 11 -0.743 -2.867 -8.911 1.00 1.24 H new ATOM 0 HD13 LEU A 11 0.959 -2.482 -8.559 1.00 1.24 H new ATOM 0 HD21 LEU A 11 0.500 0.580 -8.218 1.00 43.31 H new ATOM 0 HD22 LEU A 11 1.839 -0.067 -9.195 1.00 43.31 H new ATOM 0 HD23 LEU A 11 0.682 1.075 -9.918 1.00 43.31 H new ATOM 175 N ASN A 12 0.025 -1.995 -14.187 1.00 13.01 N ATOM 176 CA ASN A 12 0.488 -2.595 -15.473 1.00 53.34 C ATOM 177 C ASN A 12 -0.103 -1.895 -16.733 1.00 11.14 C ATOM 178 O ASN A 12 0.252 -2.254 -17.865 1.00 31.21 O ATOM 179 CB ASN A 12 0.154 -4.111 -15.481 1.00 55.42 C ATOM 180 CG ASN A 12 0.902 -4.894 -14.397 1.00 22.41 C ATOM 181 OD1 ASN A 12 2.030 -4.572 -14.043 1.00 40.35 O ATOM 182 ND2 ASN A 12 0.286 -5.931 -13.862 1.00 20.14 N ATOM 0 H ASN A 12 -0.807 -2.444 -13.804 1.00 13.01 H new ATOM 0 HA ASN A 12 1.566 -2.446 -15.530 1.00 53.34 H new ATOM 0 HB2 ASN A 12 -0.919 -4.242 -15.341 1.00 55.42 H new ATOM 0 HB3 ASN A 12 0.401 -4.527 -16.458 1.00 55.42 H new ATOM 0 HD21 ASN A 12 0.749 -6.482 -13.139 1.00 20.14 H new ATOM 0 HD22 ASN A 12 -0.653 -6.182 -14.171 1.00 20.14 H new ATOM 189 N ALA A 13 -1.006 -0.912 -16.545 1.00 15.12 N ATOM 190 CA ALA A 13 -1.530 -0.074 -17.659 1.00 32.41 C ATOM 191 C ALA A 13 -0.598 1.128 -17.908 1.00 65.52 C ATOM 192 O ALA A 13 -0.052 1.304 -19.005 1.00 45.31 O ATOM 193 CB ALA A 13 -2.952 0.428 -17.353 1.00 22.10 C ATOM 0 H ALA A 13 -1.393 -0.673 -15.632 1.00 15.12 H new ATOM 0 HA ALA A 13 -1.567 -0.694 -18.555 1.00 32.41 H new ATOM 0 HB1 ALA A 13 -3.309 1.037 -18.183 1.00 22.10 H new ATOM 0 HB2 ALA A 13 -3.617 -0.425 -17.216 1.00 22.10 H new ATOM 0 HB3 ALA A 13 -2.938 1.028 -16.443 1.00 22.10 H new ATOM 199 N VAL A 14 -0.439 1.953 -16.862 1.00 34.44 N ATOM 200 CA VAL A 14 0.379 3.178 -16.894 1.00 73.43 C ATOM 201 C VAL A 14 1.774 2.925 -16.263 1.00 12.25 C ATOM 202 O VAL A 14 1.896 2.218 -15.259 1.00 2.41 O ATOM 203 CB VAL A 14 -0.376 4.366 -16.173 1.00 4.02 C ATOM 204 CG1 VAL A 14 -1.676 4.722 -16.934 1.00 0.21 C ATOM 205 CG2 VAL A 14 -0.707 4.039 -14.689 1.00 63.25 C ATOM 0 H VAL A 14 -0.880 1.787 -15.957 1.00 34.44 H new ATOM 0 HA VAL A 14 0.536 3.464 -17.934 1.00 73.43 H new ATOM 0 HB VAL A 14 0.298 5.223 -16.181 1.00 4.02 H new ATOM 0 HG11 VAL A 14 -2.183 5.541 -16.424 1.00 0.21 H new ATOM 0 HG12 VAL A 14 -1.430 5.024 -17.952 1.00 0.21 H new ATOM 0 HG13 VAL A 14 -2.331 3.851 -16.962 1.00 0.21 H new ATOM 0 HG21 VAL A 14 -1.225 4.885 -14.237 1.00 63.25 H new ATOM 0 HG22 VAL A 14 -1.345 3.157 -14.645 1.00 63.25 H new ATOM 0 HG23 VAL A 14 0.217 3.846 -14.144 1.00 63.25 H new ATOM 215 N ASP A 15 2.821 3.492 -16.897 1.00 74.43 N ATOM 216 CA ASP A 15 4.236 3.301 -16.483 1.00 23.22 C ATOM 217 C ASP A 15 4.529 3.902 -15.081 1.00 32.45 C ATOM 218 O ASP A 15 5.154 3.253 -14.236 1.00 35.22 O ATOM 219 CB ASP A 15 5.186 3.904 -17.558 1.00 42.42 C ATOM 220 CG ASP A 15 4.777 5.321 -18.002 1.00 4.14 C ATOM 221 OD1 ASP A 15 3.975 5.435 -18.955 1.00 61.22 O ATOM 222 OD2 ASP A 15 5.222 6.313 -17.384 1.00 1.14 O ATOM 0 H ASP A 15 2.714 4.097 -17.712 1.00 74.43 H new ATOM 0 HA ASP A 15 4.417 2.229 -16.404 1.00 23.22 H new ATOM 0 HB2 ASP A 15 6.201 3.933 -17.162 1.00 42.42 H new ATOM 0 HB3 ASP A 15 5.202 3.248 -18.428 1.00 42.42 H new ATOM 227 N GLU A 16 4.080 5.143 -14.859 1.00 4.45 N ATOM 228 CA GLU A 16 4.010 5.756 -13.518 1.00 33.12 C ATOM 229 C GLU A 16 2.561 5.659 -13.004 1.00 23.44 C ATOM 230 O GLU A 16 1.622 5.762 -13.792 1.00 22.15 O ATOM 231 CB GLU A 16 4.461 7.239 -13.571 1.00 43.41 C ATOM 232 CG GLU A 16 3.679 8.109 -14.589 1.00 44.43 C ATOM 233 CD GLU A 16 3.938 9.617 -14.466 1.00 24.13 C ATOM 234 OE1 GLU A 16 5.055 10.019 -14.081 1.00 73.33 O ATOM 235 OE2 GLU A 16 3.030 10.416 -14.792 1.00 13.13 O ATOM 0 H GLU A 16 3.752 5.757 -15.605 1.00 4.45 H new ATOM 0 HA GLU A 16 4.679 5.225 -12.841 1.00 33.12 H new ATOM 0 HB2 GLU A 16 4.351 7.675 -12.578 1.00 43.41 H new ATOM 0 HB3 GLU A 16 5.522 7.275 -13.820 1.00 43.41 H new ATOM 0 HG2 GLU A 16 3.940 7.789 -15.598 1.00 44.43 H new ATOM 0 HG3 GLU A 16 2.612 7.924 -14.462 1.00 44.43 H new ATOM 242 N SER A 17 2.377 5.529 -11.684 1.00 34.21 N ATOM 243 CA SER A 17 1.046 5.247 -11.094 1.00 13.41 C ATOM 244 C SER A 17 0.338 6.555 -10.697 1.00 35.05 C ATOM 245 O SER A 17 0.981 7.510 -10.244 1.00 25.41 O ATOM 246 CB SER A 17 1.184 4.321 -9.869 1.00 71.54 C ATOM 247 OG SER A 17 1.986 4.904 -8.852 1.00 12.42 O ATOM 0 H SER A 17 3.127 5.613 -10.998 1.00 34.21 H new ATOM 0 HA SER A 17 0.440 4.742 -11.846 1.00 13.41 H new ATOM 0 HB2 SER A 17 0.195 4.099 -9.469 1.00 71.54 H new ATOM 0 HB3 SER A 17 1.623 3.373 -10.178 1.00 71.54 H new ATOM 0 HG SER A 17 1.798 4.466 -7.996 1.00 12.42 H new ATOM 253 N ALA A 18 -0.990 6.587 -10.876 1.00 23.53 N ATOM 254 CA ALA A 18 -1.822 7.761 -10.560 1.00 61.23 C ATOM 255 C ALA A 18 -2.022 7.920 -9.032 1.00 14.12 C ATOM 256 O ALA A 18 -1.671 8.960 -8.459 1.00 50.23 O ATOM 257 CB ALA A 18 -3.171 7.660 -11.287 1.00 42.51 C ATOM 0 H ALA A 18 -1.521 5.798 -11.245 1.00 23.53 H new ATOM 0 HA ALA A 18 -1.302 8.653 -10.910 1.00 61.23 H new ATOM 0 HB1 ALA A 18 -3.780 8.532 -11.048 1.00 42.51 H new ATOM 0 HB2 ALA A 18 -3.002 7.620 -12.363 1.00 42.51 H new ATOM 0 HB3 ALA A 18 -3.690 6.756 -10.967 1.00 42.51 H new ATOM 263 N ARG A 19 -2.597 6.885 -8.373 1.00 70.32 N ATOM 264 CA ARG A 19 -2.859 6.906 -6.906 1.00 24.04 C ATOM 265 C ARG A 19 -2.497 5.567 -6.204 1.00 13.34 C ATOM 266 O ARG A 19 -2.684 5.451 -4.986 1.00 24.20 O ATOM 267 CB ARG A 19 -4.357 7.256 -6.619 1.00 2.21 C ATOM 268 CG ARG A 19 -4.804 8.659 -7.092 1.00 71.40 C ATOM 269 CD ARG A 19 -6.275 8.958 -6.761 1.00 32.41 C ATOM 270 NE ARG A 19 -6.724 10.242 -7.349 1.00 42.52 N ATOM 271 CZ ARG A 19 -7.906 10.467 -7.881 1.00 2.51 C ATOM 272 NH1 ARG A 19 -8.803 9.532 -7.961 1.00 43.33 N ATOM 273 NH2 ARG A 19 -8.182 11.642 -8.342 1.00 71.31 N ATOM 0 H ARG A 19 -2.890 6.022 -8.832 1.00 70.32 H new ATOM 0 HA ARG A 19 -2.210 7.678 -6.492 1.00 24.04 H new ATOM 0 HB2 ARG A 19 -4.988 6.509 -7.101 1.00 2.21 H new ATOM 0 HB3 ARG A 19 -4.533 7.178 -5.546 1.00 2.21 H new ATOM 0 HG2 ARG A 19 -4.171 9.414 -6.626 1.00 71.40 H new ATOM 0 HG3 ARG A 19 -4.655 8.739 -8.169 1.00 71.40 H new ATOM 0 HD2 ARG A 19 -6.903 8.149 -7.134 1.00 32.41 H new ATOM 0 HD3 ARG A 19 -6.405 8.989 -5.679 1.00 32.41 H new ATOM 0 HE ARG A 19 -6.061 11.017 -7.341 1.00 42.52 H new ATOM 0 HH11 ARG A 19 -8.599 8.598 -7.607 1.00 43.33 H new ATOM 0 HH12 ARG A 19 -9.712 9.732 -8.378 1.00 43.33 H new ATOM 0 HH21 ARG A 19 -7.486 12.386 -8.292 1.00 71.31 H new ATOM 0 HH22 ARG A 19 -9.096 11.826 -8.756 1.00 71.31 H new ATOM 287 N ILE A 20 -1.970 4.563 -6.946 1.00 45.24 N ATOM 288 CA ILE A 20 -1.687 3.216 -6.369 1.00 74.31 C ATOM 289 C ILE A 20 -0.158 2.995 -6.231 1.00 53.41 C ATOM 290 O ILE A 20 0.526 2.802 -7.235 1.00 31.44 O ATOM 291 CB ILE A 20 -2.272 2.026 -7.245 1.00 15.32 C ATOM 292 CG1 ILE A 20 -3.715 2.313 -7.782 1.00 31.32 C ATOM 293 CG2 ILE A 20 -2.230 0.693 -6.451 1.00 72.35 C ATOM 294 CD1 ILE A 20 -4.759 2.676 -6.753 1.00 24.40 C ATOM 0 H ILE A 20 -1.733 4.653 -7.934 1.00 45.24 H new ATOM 0 HA ILE A 20 -2.178 3.203 -5.396 1.00 74.31 H new ATOM 0 HB ILE A 20 -1.631 1.937 -8.122 1.00 15.32 H new ATOM 0 HG12 ILE A 20 -3.654 3.125 -8.506 1.00 31.32 H new ATOM 0 HG13 ILE A 20 -4.060 1.430 -8.321 1.00 31.32 H new ATOM 0 HG21 ILE A 20 -2.635 -0.110 -7.067 1.00 72.35 H new ATOM 0 HG22 ILE A 20 -1.199 0.461 -6.184 1.00 72.35 H new ATOM 0 HG23 ILE A 20 -2.827 0.791 -5.544 1.00 72.35 H new ATOM 0 HD11 ILE A 20 -5.714 2.850 -7.249 1.00 24.40 H new ATOM 0 HD12 ILE A 20 -4.865 1.860 -6.039 1.00 24.40 H new ATOM 0 HD13 ILE A 20 -4.453 3.580 -6.227 1.00 24.40 H new ATOM 306 N GLU A 21 0.390 3.023 -5.003 1.00 3.12 N ATOM 307 CA GLU A 21 1.795 2.612 -4.772 1.00 73.34 C ATOM 308 C GLU A 21 1.873 1.126 -4.359 1.00 5.34 C ATOM 309 O GLU A 21 1.434 0.745 -3.275 1.00 75.04 O ATOM 310 CB GLU A 21 2.503 3.503 -3.707 1.00 60.01 C ATOM 311 CG GLU A 21 2.968 4.890 -4.235 1.00 53.24 C ATOM 312 CD GLU A 21 4.168 5.473 -3.460 1.00 45.45 C ATOM 313 OE1 GLU A 21 5.171 4.743 -3.258 1.00 55.15 O ATOM 314 OE2 GLU A 21 4.140 6.661 -3.079 1.00 62.53 O ATOM 0 H GLU A 21 -0.107 3.321 -4.163 1.00 3.12 H new ATOM 0 HA GLU A 21 2.322 2.747 -5.717 1.00 73.34 H new ATOM 0 HB2 GLU A 21 1.823 3.656 -2.869 1.00 60.01 H new ATOM 0 HB3 GLU A 21 3.369 2.966 -3.320 1.00 60.01 H new ATOM 0 HG2 GLU A 21 3.236 4.798 -5.288 1.00 53.24 H new ATOM 0 HG3 GLU A 21 2.134 5.590 -4.178 1.00 53.24 H new ATOM 321 N ALA A 22 2.477 0.299 -5.229 1.00 73.14 N ATOM 322 CA ALA A 22 2.742 -1.122 -4.943 1.00 3.32 C ATOM 323 C ALA A 22 4.044 -1.260 -4.128 1.00 21.21 C ATOM 324 O ALA A 22 5.072 -0.684 -4.507 1.00 14.25 O ATOM 325 CB ALA A 22 2.834 -1.917 -6.253 1.00 30.10 C ATOM 0 H ALA A 22 2.796 0.597 -6.151 1.00 73.14 H new ATOM 0 HA ALA A 22 1.920 -1.527 -4.354 1.00 3.32 H new ATOM 0 HB1 ALA A 22 3.030 -2.966 -6.029 1.00 30.10 H new ATOM 0 HB2 ALA A 22 1.893 -1.832 -6.797 1.00 30.10 H new ATOM 0 HB3 ALA A 22 3.644 -1.519 -6.864 1.00 30.10 H new ATOM 331 N LYS A 23 3.994 -1.999 -2.999 1.00 22.32 N ATOM 332 CA LYS A 23 5.151 -2.197 -2.101 1.00 62.25 C ATOM 333 C LYS A 23 5.317 -3.681 -1.692 1.00 43.42 C ATOM 334 O LYS A 23 4.417 -4.509 -1.871 1.00 2.55 O ATOM 335 CB LYS A 23 5.008 -1.294 -0.841 1.00 53.43 C ATOM 336 CG LYS A 23 5.184 0.214 -1.120 1.00 30.33 C ATOM 337 CD LYS A 23 5.105 1.082 0.153 1.00 55.42 C ATOM 338 CE LYS A 23 5.580 2.521 -0.097 1.00 11.31 C ATOM 339 NZ LYS A 23 6.983 2.562 -0.599 1.00 74.23 N ATOM 0 H LYS A 23 3.149 -2.476 -2.685 1.00 22.32 H new ATOM 0 HA LYS A 23 6.050 -1.911 -2.647 1.00 62.25 H new ATOM 0 HB2 LYS A 23 4.025 -1.458 -0.400 1.00 53.43 H new ATOM 0 HB3 LYS A 23 5.745 -1.604 -0.100 1.00 53.43 H new ATOM 0 HG2 LYS A 23 6.147 0.377 -1.604 1.00 30.33 H new ATOM 0 HG3 LYS A 23 4.416 0.539 -1.822 1.00 30.33 H new ATOM 0 HD2 LYS A 23 4.078 1.098 0.517 1.00 55.42 H new ATOM 0 HD3 LYS A 23 5.714 0.631 0.937 1.00 55.42 H new ATOM 0 HE2 LYS A 23 4.921 3.001 -0.821 1.00 11.31 H new ATOM 0 HE3 LYS A 23 5.508 3.093 0.828 1.00 11.31 H new ATOM 0 HZ1 LYS A 23 7.478 3.375 -0.179 1.00 74.23 H new ATOM 0 HZ2 LYS A 23 7.472 1.684 -0.334 1.00 74.23 H new ATOM 0 HZ3 LYS A 23 6.979 2.657 -1.635 1.00 74.23 H new ATOM 353 N ARG A 24 6.505 -3.983 -1.158 1.00 42.34 N ATOM 354 CA ARG A 24 6.882 -5.324 -0.659 1.00 63.00 C ATOM 355 C ARG A 24 6.790 -5.386 0.890 1.00 13.52 C ATOM 356 O ARG A 24 6.493 -4.379 1.549 1.00 4.34 O ATOM 357 CB ARG A 24 8.325 -5.652 -1.136 1.00 75.12 C ATOM 358 CG ARG A 24 8.512 -5.610 -2.671 1.00 51.23 C ATOM 359 CD ARG A 24 9.962 -5.878 -3.123 1.00 33.25 C ATOM 360 NE ARG A 24 10.405 -7.251 -2.813 1.00 15.23 N ATOM 361 CZ ARG A 24 11.435 -7.581 -2.060 1.00 1.31 C ATOM 362 NH1 ARG A 24 12.107 -6.684 -1.401 1.00 4.10 N ATOM 363 NH2 ARG A 24 11.758 -8.827 -1.939 1.00 23.12 N ATOM 0 H ARG A 24 7.250 -3.294 -1.055 1.00 42.34 H new ATOM 0 HA ARG A 24 6.188 -6.064 -1.058 1.00 63.00 H new ATOM 0 HB2 ARG A 24 9.016 -4.945 -0.678 1.00 75.12 H new ATOM 0 HB3 ARG A 24 8.598 -6.644 -0.775 1.00 75.12 H new ATOM 0 HG2 ARG A 24 7.855 -6.349 -3.129 1.00 51.23 H new ATOM 0 HG3 ARG A 24 8.200 -4.633 -3.040 1.00 51.23 H new ATOM 0 HD2 ARG A 24 10.042 -5.707 -4.197 1.00 33.25 H new ATOM 0 HD3 ARG A 24 10.629 -5.166 -2.636 1.00 33.25 H new ATOM 0 HE ARG A 24 9.864 -8.015 -3.219 1.00 15.23 H new ATOM 0 HH11 ARG A 24 11.840 -5.701 -1.461 1.00 4.10 H new ATOM 0 HH12 ARG A 24 12.901 -6.963 -0.824 1.00 4.10 H new ATOM 0 HH21 ARG A 24 11.217 -9.543 -2.424 1.00 23.12 H new ATOM 0 HH22 ARG A 24 12.553 -9.094 -1.359 1.00 23.12 H new ATOM 377 N ALA A 25 7.065 -6.577 1.467 1.00 51.01 N ATOM 378 CA ALA A 25 7.104 -6.777 2.942 1.00 14.15 C ATOM 379 C ALA A 25 8.340 -6.081 3.578 1.00 54.42 C ATOM 380 O ALA A 25 8.366 -5.804 4.781 1.00 63.22 O ATOM 381 CB ALA A 25 7.086 -8.279 3.274 1.00 73.33 C ATOM 0 H ALA A 25 7.265 -7.423 0.933 1.00 51.01 H new ATOM 0 HA ALA A 25 6.215 -6.314 3.371 1.00 14.15 H new ATOM 0 HB1 ALA A 25 7.115 -8.413 4.355 1.00 73.33 H new ATOM 0 HB2 ALA A 25 6.176 -8.729 2.877 1.00 73.33 H new ATOM 0 HB3 ALA A 25 7.955 -8.761 2.825 1.00 73.33 H new ATOM 387 N SER A 26 9.360 -5.820 2.742 1.00 20.21 N ATOM 388 CA SER A 26 10.572 -5.055 3.117 1.00 21.22 C ATOM 389 C SER A 26 10.254 -3.574 3.444 1.00 25.10 C ATOM 390 O SER A 26 10.952 -2.954 4.253 1.00 53.20 O ATOM 391 CB SER A 26 11.604 -5.125 1.965 1.00 34.32 C ATOM 392 OG SER A 26 11.046 -4.656 0.744 1.00 4.13 O ATOM 0 H SER A 26 9.370 -6.137 1.773 1.00 20.21 H new ATOM 0 HA SER A 26 10.982 -5.508 4.020 1.00 21.22 H new ATOM 0 HB2 SER A 26 12.479 -4.528 2.221 1.00 34.32 H new ATOM 0 HB3 SER A 26 11.945 -6.153 1.841 1.00 34.32 H new ATOM 0 HG SER A 26 11.767 -4.407 0.129 1.00 4.13 H new ATOM 398 N ASP A 27 9.206 -3.011 2.806 1.00 25.11 N ATOM 399 CA ASP A 27 8.774 -1.611 3.032 1.00 4.24 C ATOM 400 C ASP A 27 8.091 -1.397 4.412 1.00 54.10 C ATOM 401 O ASP A 27 7.943 -0.243 4.849 1.00 44.43 O ATOM 402 CB ASP A 27 7.792 -1.176 1.912 1.00 51.54 C ATOM 403 CG ASP A 27 8.446 -1.073 0.525 1.00 64.31 C ATOM 404 OD1 ASP A 27 8.726 -2.126 -0.092 1.00 70.00 O ATOM 405 OD2 ASP A 27 8.669 0.067 0.040 1.00 1.34 O ATOM 0 H ASP A 27 8.636 -3.510 2.122 1.00 25.11 H new ATOM 0 HA ASP A 27 9.678 -1.002 3.016 1.00 4.24 H new ATOM 0 HB2 ASP A 27 6.969 -1.890 1.864 1.00 51.54 H new ATOM 0 HB3 ASP A 27 7.361 -0.210 2.174 1.00 51.54 H new ATOM 410 N MET A 28 7.654 -2.505 5.064 1.00 62.54 N ATOM 411 CA MET A 28 6.918 -2.466 6.359 1.00 14.15 C ATOM 412 C MET A 28 7.703 -1.700 7.453 1.00 70.13 C ATOM 413 O MET A 28 8.712 -2.183 7.977 1.00 23.14 O ATOM 414 CB MET A 28 6.567 -3.908 6.829 1.00 24.41 C ATOM 415 CG MET A 28 5.467 -4.583 5.992 1.00 53.14 C ATOM 416 SD MET A 28 3.892 -3.697 6.092 1.00 4.32 S ATOM 417 CE MET A 28 3.498 -3.838 7.843 1.00 35.03 C ATOM 0 H MET A 28 7.801 -3.450 4.709 1.00 62.54 H new ATOM 0 HA MET A 28 5.991 -1.918 6.193 1.00 14.15 H new ATOM 0 HB2 MET A 28 7.467 -4.522 6.792 1.00 24.41 H new ATOM 0 HB3 MET A 28 6.248 -3.873 7.871 1.00 24.41 H new ATOM 0 HG2 MET A 28 5.786 -4.637 4.951 1.00 53.14 H new ATOM 0 HG3 MET A 28 5.328 -5.608 6.336 1.00 53.14 H new ATOM 0 HE1 MET A 28 2.523 -4.312 7.960 1.00 35.03 H new ATOM 0 HE2 MET A 28 4.257 -4.442 8.339 1.00 35.03 H new ATOM 0 HE3 MET A 28 3.474 -2.845 8.292 1.00 35.03 H new ATOM 427 N GLY A 29 7.215 -0.493 7.768 1.00 3.21 N ATOM 428 CA GLY A 29 7.907 0.437 8.656 1.00 13.31 C ATOM 429 C GLY A 29 7.795 1.876 8.145 1.00 40.44 C ATOM 430 O GLY A 29 6.688 2.358 7.885 1.00 31.21 O ATOM 0 H GLY A 29 6.328 -0.138 7.411 1.00 3.21 H new ATOM 0 HA2 GLY A 29 7.484 0.370 9.658 1.00 13.31 H new ATOM 0 HA3 GLY A 29 8.957 0.156 8.734 1.00 13.31 H new ATOM 434 N LYS A 30 8.945 2.549 7.969 1.00 61.31 N ATOM 435 CA LYS A 30 9.000 3.985 7.600 1.00 41.24 C ATOM 436 C LYS A 30 8.629 4.227 6.115 1.00 63.43 C ATOM 437 O LYS A 30 8.109 5.292 5.781 1.00 12.33 O ATOM 438 CB LYS A 30 10.406 4.599 7.895 1.00 71.43 C ATOM 439 CG LYS A 30 10.875 4.512 9.376 1.00 20.31 C ATOM 440 CD LYS A 30 11.493 3.139 9.755 1.00 1.13 C ATOM 441 CE LYS A 30 11.924 3.074 11.232 1.00 45.13 C ATOM 442 NZ LYS A 30 10.764 3.186 12.154 1.00 42.31 N ATOM 0 H LYS A 30 9.864 2.119 8.077 1.00 61.31 H new ATOM 0 HA LYS A 30 8.256 4.484 8.221 1.00 41.24 H new ATOM 0 HB2 LYS A 30 11.142 4.096 7.268 1.00 71.43 H new ATOM 0 HB3 LYS A 30 10.396 5.647 7.596 1.00 71.43 H new ATOM 0 HG2 LYS A 30 11.610 5.295 9.562 1.00 20.31 H new ATOM 0 HG3 LYS A 30 10.025 4.711 10.029 1.00 20.31 H new ATOM 0 HD2 LYS A 30 10.767 2.350 9.557 1.00 1.13 H new ATOM 0 HD3 LYS A 30 12.357 2.945 9.119 1.00 1.13 H new ATOM 0 HE2 LYS A 30 12.445 2.135 11.417 1.00 45.13 H new ATOM 0 HE3 LYS A 30 12.631 3.877 11.439 1.00 45.13 H new ATOM 0 HZ1 LYS A 30 11.073 2.986 13.127 1.00 42.31 H new ATOM 0 HZ2 LYS A 30 10.374 4.149 12.106 1.00 42.31 H new ATOM 0 HZ3 LYS A 30 10.032 2.501 11.876 1.00 42.31 H new ATOM 456 N SER A 31 8.918 3.238 5.242 1.00 24.10 N ATOM 457 CA SER A 31 8.688 3.345 3.770 1.00 0.32 C ATOM 458 C SER A 31 7.180 3.384 3.423 1.00 23.50 C ATOM 459 O SER A 31 6.741 4.201 2.606 1.00 50.40 O ATOM 460 CB SER A 31 9.380 2.174 3.027 1.00 2.03 C ATOM 461 OG SER A 31 10.757 2.084 3.366 1.00 40.15 O ATOM 0 H SER A 31 9.316 2.343 5.528 1.00 24.10 H new ATOM 0 HA SER A 31 9.127 4.286 3.439 1.00 0.32 H new ATOM 0 HB2 SER A 31 8.881 1.238 3.276 1.00 2.03 H new ATOM 0 HB3 SER A 31 9.277 2.313 1.951 1.00 2.03 H new ATOM 0 HG SER A 31 11.165 1.335 2.883 1.00 40.15 H new ATOM 467 N VAL A 32 6.395 2.482 4.056 1.00 4.24 N ATOM 468 CA VAL A 32 4.914 2.474 3.930 1.00 51.52 C ATOM 469 C VAL A 32 4.314 3.748 4.579 1.00 64.43 C ATOM 470 O VAL A 32 3.552 4.481 3.941 1.00 20.23 O ATOM 471 CB VAL A 32 4.265 1.183 4.582 1.00 3.25 C ATOM 472 CG1 VAL A 32 2.715 1.231 4.535 1.00 4.15 C ATOM 473 CG2 VAL A 32 4.772 -0.109 3.900 1.00 13.22 C ATOM 0 H VAL A 32 6.761 1.747 4.661 1.00 4.24 H new ATOM 0 HA VAL A 32 4.681 2.459 2.865 1.00 51.52 H new ATOM 0 HB VAL A 32 4.575 1.171 5.627 1.00 3.25 H new ATOM 0 HG11 VAL A 32 2.309 0.328 4.992 1.00 4.15 H new ATOM 0 HG12 VAL A 32 2.361 2.105 5.082 1.00 4.15 H new ATOM 0 HG13 VAL A 32 2.384 1.294 3.498 1.00 4.15 H new ATOM 0 HG21 VAL A 32 4.308 -0.975 4.371 1.00 13.22 H new ATOM 0 HG22 VAL A 32 4.512 -0.088 2.842 1.00 13.22 H new ATOM 0 HG23 VAL A 32 5.855 -0.175 4.006 1.00 13.22 H new ATOM 483 N MET A 33 4.699 3.986 5.849 1.00 2.43 N ATOM 484 CA MET A 33 4.205 5.115 6.674 1.00 34.24 C ATOM 485 C MET A 33 4.349 6.497 5.990 1.00 61.02 C ATOM 486 O MET A 33 3.409 7.288 5.983 1.00 74.03 O ATOM 487 CB MET A 33 4.939 5.129 8.042 1.00 10.25 C ATOM 488 CG MET A 33 4.458 6.231 8.999 1.00 65.34 C ATOM 489 SD MET A 33 2.665 6.215 9.219 1.00 73.12 S ATOM 490 CE MET A 33 2.383 4.576 9.883 1.00 71.43 C ATOM 0 H MET A 33 5.370 3.394 6.340 1.00 2.43 H new ATOM 0 HA MET A 33 3.137 4.949 6.813 1.00 34.24 H new ATOM 0 HB2 MET A 33 4.806 4.160 8.524 1.00 10.25 H new ATOM 0 HB3 MET A 33 6.008 5.254 7.868 1.00 10.25 H new ATOM 0 HG2 MET A 33 4.942 6.104 9.968 1.00 65.34 H new ATOM 0 HG3 MET A 33 4.766 7.203 8.614 1.00 65.34 H new ATOM 0 HE1 MET A 33 1.352 4.496 10.229 1.00 71.43 H new ATOM 0 HE2 MET A 33 2.564 3.833 9.106 1.00 71.43 H new ATOM 0 HE3 MET A 33 3.061 4.400 10.718 1.00 71.43 H new ATOM 500 N GLU A 34 5.525 6.763 5.414 1.00 10.12 N ATOM 501 CA GLU A 34 5.855 8.081 4.809 1.00 52.12 C ATOM 502 C GLU A 34 5.059 8.333 3.497 1.00 71.31 C ATOM 503 O GLU A 34 4.782 9.484 3.135 1.00 4.22 O ATOM 504 CB GLU A 34 7.388 8.183 4.607 1.00 12.44 C ATOM 505 CG GLU A 34 7.916 9.553 4.133 1.00 71.41 C ATOM 506 CD GLU A 34 9.451 9.653 4.211 1.00 51.34 C ATOM 507 OE1 GLU A 34 10.137 9.207 3.273 1.00 74.00 O ATOM 508 OE2 GLU A 34 9.974 10.145 5.238 1.00 65.55 O ATOM 0 H GLU A 34 6.281 6.081 5.348 1.00 10.12 H new ATOM 0 HA GLU A 34 5.547 8.873 5.492 1.00 52.12 H new ATOM 0 HB2 GLU A 34 7.876 7.933 5.549 1.00 12.44 H new ATOM 0 HB3 GLU A 34 7.690 7.428 3.881 1.00 12.44 H new ATOM 0 HG2 GLU A 34 7.596 9.726 3.106 1.00 71.41 H new ATOM 0 HG3 GLU A 34 7.472 10.340 4.743 1.00 71.41 H new ATOM 515 N THR A 35 4.691 7.241 2.798 1.00 33.52 N ATOM 516 CA THR A 35 3.734 7.288 1.663 1.00 20.22 C ATOM 517 C THR A 35 2.293 7.605 2.160 1.00 25.31 C ATOM 518 O THR A 35 1.555 8.365 1.517 1.00 40.14 O ATOM 519 CB THR A 35 3.743 5.936 0.871 1.00 0.12 C ATOM 520 OG1 THR A 35 5.038 5.717 0.290 1.00 22.03 O ATOM 521 CG2 THR A 35 2.684 5.876 -0.240 1.00 54.12 C ATOM 0 H THR A 35 5.043 6.305 2.999 1.00 33.52 H new ATOM 0 HA THR A 35 4.053 8.087 0.994 1.00 20.22 H new ATOM 0 HB THR A 35 3.503 5.156 1.594 1.00 0.12 H new ATOM 0 HG1 THR A 35 5.619 5.275 0.943 1.00 22.03 H new ATOM 0 HG21 THR A 35 2.744 4.914 -0.749 1.00 54.12 H new ATOM 0 HG22 THR A 35 1.692 5.994 0.196 1.00 54.12 H new ATOM 0 HG23 THR A 35 2.863 6.677 -0.957 1.00 54.12 H new ATOM 529 N VAL A 36 1.904 7.021 3.321 1.00 73.31 N ATOM 530 CA VAL A 36 0.602 7.315 3.980 1.00 52.33 C ATOM 531 C VAL A 36 0.520 8.813 4.396 1.00 63.14 C ATOM 532 O VAL A 36 -0.544 9.421 4.294 1.00 23.15 O ATOM 533 CB VAL A 36 0.352 6.379 5.232 1.00 60.31 C ATOM 534 CG1 VAL A 36 -0.976 6.720 5.966 1.00 71.11 C ATOM 535 CG2 VAL A 36 0.377 4.883 4.826 1.00 35.24 C ATOM 0 H VAL A 36 2.475 6.341 3.823 1.00 73.31 H new ATOM 0 HA VAL A 36 -0.183 7.110 3.252 1.00 52.33 H new ATOM 0 HB VAL A 36 1.169 6.565 5.930 1.00 60.31 H new ATOM 0 HG11 VAL A 36 -1.103 6.051 6.817 1.00 71.11 H new ATOM 0 HG12 VAL A 36 -0.943 7.752 6.317 1.00 71.11 H new ATOM 0 HG13 VAL A 36 -1.813 6.596 5.279 1.00 71.11 H new ATOM 0 HG21 VAL A 36 0.202 4.264 5.706 1.00 35.24 H new ATOM 0 HG22 VAL A 36 -0.403 4.693 4.088 1.00 35.24 H new ATOM 0 HG23 VAL A 36 1.349 4.638 4.397 1.00 35.24 H new ATOM 545 N ILE A 37 1.671 9.395 4.818 1.00 22.24 N ATOM 546 CA ILE A 37 1.792 10.849 5.146 1.00 52.23 C ATOM 547 C ILE A 37 1.393 11.726 3.931 1.00 54.55 C ATOM 548 O ILE A 37 0.715 12.749 4.082 1.00 75.44 O ATOM 549 CB ILE A 37 3.267 11.239 5.585 1.00 24.44 C ATOM 550 CG1 ILE A 37 3.756 10.385 6.793 1.00 23.22 C ATOM 551 CG2 ILE A 37 3.403 12.754 5.908 1.00 5.45 C ATOM 552 CD1 ILE A 37 2.958 10.547 8.069 1.00 23.10 C ATOM 0 H ILE A 37 2.541 8.877 4.942 1.00 22.24 H new ATOM 0 HA ILE A 37 1.114 11.034 5.979 1.00 52.23 H new ATOM 0 HB ILE A 37 3.906 11.020 4.729 1.00 24.44 H new ATOM 0 HG12 ILE A 37 3.738 9.334 6.504 1.00 23.22 H new ATOM 0 HG13 ILE A 37 4.795 10.641 7.000 1.00 23.22 H new ATOM 0 HG21 ILE A 37 4.429 12.972 6.203 1.00 5.45 H new ATOM 0 HG22 ILE A 37 3.147 13.339 5.024 1.00 5.45 H new ATOM 0 HG23 ILE A 37 2.728 13.014 6.723 1.00 5.45 H new ATOM 0 HD11 ILE A 37 3.381 9.910 8.846 1.00 23.10 H new ATOM 0 HD12 ILE A 37 2.996 11.587 8.392 1.00 23.10 H new ATOM 0 HD13 ILE A 37 1.922 10.260 7.889 1.00 23.10 H new ATOM 564 N ALA A 38 1.794 11.275 2.726 1.00 63.33 N ATOM 565 CA ALA A 38 1.565 12.014 1.469 1.00 74.54 C ATOM 566 C ALA A 38 0.057 12.130 1.129 1.00 44.11 C ATOM 567 O ALA A 38 -0.419 13.212 0.784 1.00 42.10 O ATOM 568 CB ALA A 38 2.332 11.336 0.321 1.00 33.03 C ATOM 0 H ALA A 38 2.285 10.390 2.597 1.00 63.33 H new ATOM 0 HA ALA A 38 1.939 13.029 1.603 1.00 74.54 H new ATOM 0 HB1 ALA A 38 2.160 11.885 -0.605 1.00 33.03 H new ATOM 0 HB2 ALA A 38 3.398 11.332 0.548 1.00 33.03 H new ATOM 0 HB3 ALA A 38 1.982 10.310 0.205 1.00 33.03 H new ATOM 574 N PHE A 39 -0.684 11.008 1.245 1.00 51.32 N ATOM 575 CA PHE A 39 -2.137 10.958 0.932 1.00 14.23 C ATOM 576 C PHE A 39 -3.002 11.553 2.071 1.00 41.05 C ATOM 577 O PHE A 39 -4.009 12.223 1.808 1.00 64.13 O ATOM 578 CB PHE A 39 -2.586 9.502 0.659 1.00 65.10 C ATOM 579 CG PHE A 39 -1.844 8.793 -0.474 1.00 10.24 C ATOM 580 CD1 PHE A 39 -1.802 9.339 -1.760 1.00 13.51 C ATOM 581 CD2 PHE A 39 -1.199 7.578 -0.255 1.00 12.40 C ATOM 582 CE1 PHE A 39 -1.137 8.685 -2.785 1.00 72.40 C ATOM 583 CE2 PHE A 39 -0.541 6.927 -1.281 1.00 50.02 C ATOM 584 CZ PHE A 39 -0.506 7.479 -2.542 1.00 30.24 C ATOM 0 H PHE A 39 -0.300 10.115 1.555 1.00 51.32 H new ATOM 0 HA PHE A 39 -2.286 11.565 0.039 1.00 14.23 H new ATOM 0 HB2 PHE A 39 -2.459 8.922 1.573 1.00 65.10 H new ATOM 0 HB3 PHE A 39 -3.651 9.505 0.428 1.00 65.10 H new ATOM 0 HD1 PHE A 39 -2.293 10.281 -1.957 1.00 13.51 H new ATOM 0 HD2 PHE A 39 -1.213 7.138 0.731 1.00 12.40 H new ATOM 0 HE1 PHE A 39 -1.112 9.118 -3.774 1.00 72.40 H new ATOM 0 HE2 PHE A 39 -0.053 5.982 -1.093 1.00 50.02 H new ATOM 0 HZ PHE A 39 0.014 6.970 -3.340 1.00 30.24 H new ATOM 594 N ALA A 40 -2.607 11.282 3.333 1.00 63.24 N ATOM 595 CA ALA A 40 -3.335 11.761 4.536 1.00 65.32 C ATOM 596 C ALA A 40 -3.330 13.303 4.638 1.00 45.34 C ATOM 597 O ALA A 40 -4.351 13.914 4.962 1.00 54.45 O ATOM 598 CB ALA A 40 -2.724 11.146 5.805 1.00 14.41 C ATOM 0 H ALA A 40 -1.779 10.728 3.550 1.00 63.24 H new ATOM 0 HA ALA A 40 -4.372 11.441 4.441 1.00 65.32 H new ATOM 0 HB1 ALA A 40 -3.266 11.504 6.680 1.00 14.41 H new ATOM 0 HB2 ALA A 40 -2.796 10.060 5.754 1.00 14.41 H new ATOM 0 HB3 ALA A 40 -1.676 11.437 5.882 1.00 14.41 H new ATOM 604 N ASN A 41 -2.165 13.916 4.353 1.00 55.01 N ATOM 605 CA ASN A 41 -1.993 15.390 4.385 1.00 2.34 C ATOM 606 C ASN A 41 -2.289 16.045 3.006 1.00 45.12 C ATOM 607 O ASN A 41 -2.063 17.244 2.823 1.00 0.43 O ATOM 608 CB ASN A 41 -0.560 15.748 4.869 1.00 40.40 C ATOM 609 CG ASN A 41 -0.225 15.171 6.253 1.00 21.11 C ATOM 610 OD1 ASN A 41 -1.105 14.871 7.054 1.00 54.51 O ATOM 611 ND2 ASN A 41 1.050 15.071 6.575 1.00 53.14 N ATOM 0 H ASN A 41 -1.318 13.410 4.095 1.00 55.01 H new ATOM 0 HA ASN A 41 -2.720 15.793 5.090 1.00 2.34 H new ATOM 0 HB2 ASN A 41 0.164 15.378 4.143 1.00 40.40 H new ATOM 0 HB3 ASN A 41 -0.455 16.832 4.900 1.00 40.40 H new ATOM 0 HD21 ASN A 41 1.317 14.740 7.502 1.00 53.14 H new ATOM 0 HD22 ASN A 41 1.769 15.325 5.897 1.00 53.14 H new ATOM 618 N GLU A 42 -2.792 15.251 2.040 1.00 21.23 N ATOM 619 CA GLU A 42 -3.242 15.761 0.725 1.00 64.13 C ATOM 620 C GLU A 42 -4.766 16.054 0.779 1.00 1.52 C ATOM 621 O GLU A 42 -5.552 15.117 1.002 1.00 50.41 O ATOM 622 CB GLU A 42 -2.928 14.724 -0.391 1.00 43.41 C ATOM 623 CG GLU A 42 -3.176 15.212 -1.836 1.00 42.13 C ATOM 624 CD GLU A 42 -2.173 16.277 -2.327 1.00 52.21 C ATOM 625 OE1 GLU A 42 -1.093 15.903 -2.829 1.00 73.35 O ATOM 626 OE2 GLU A 42 -2.461 17.488 -2.222 1.00 15.42 O ATOM 0 H GLU A 42 -2.898 14.242 2.146 1.00 21.23 H new ATOM 0 HA GLU A 42 -2.709 16.683 0.495 1.00 64.13 H new ATOM 0 HB2 GLU A 42 -1.884 14.423 -0.301 1.00 43.41 H new ATOM 0 HB3 GLU A 42 -3.532 13.834 -0.217 1.00 43.41 H new ATOM 0 HG2 GLU A 42 -3.136 14.355 -2.508 1.00 42.13 H new ATOM 0 HG3 GLU A 42 -4.184 15.622 -1.901 1.00 42.13 H new ATOM 633 N PRO A 43 -5.202 17.354 0.619 1.00 2.01 N ATOM 634 CA PRO A 43 -6.641 17.746 0.664 1.00 22.44 C ATOM 635 C PRO A 43 -7.597 16.892 -0.230 1.00 34.12 C ATOM 636 O PRO A 43 -7.527 16.945 -1.457 1.00 13.23 O ATOM 637 CB PRO A 43 -6.616 19.227 0.204 1.00 74.40 C ATOM 638 CG PRO A 43 -5.274 19.719 0.648 1.00 52.42 C ATOM 639 CD PRO A 43 -4.327 18.555 0.436 1.00 41.20 C ATOM 0 HA PRO A 43 -7.050 17.584 1.661 1.00 22.44 H new ATOM 0 HB2 PRO A 43 -6.735 19.312 -0.876 1.00 74.40 H new ATOM 0 HB3 PRO A 43 -7.423 19.801 0.660 1.00 74.40 H new ATOM 0 HG2 PRO A 43 -4.963 20.589 0.069 1.00 52.42 H new ATOM 0 HG3 PRO A 43 -5.294 20.024 1.694 1.00 52.42 H new ATOM 0 HD2 PRO A 43 -3.879 18.578 -0.558 1.00 41.20 H new ATOM 0 HD3 PRO A 43 -3.508 18.568 1.155 1.00 41.20 H new ATOM 647 N GLY A 44 -8.465 16.098 0.434 1.00 52.04 N ATOM 648 CA GLY A 44 -9.546 15.337 -0.215 1.00 15.22 C ATOM 649 C GLY A 44 -9.128 14.285 -1.250 1.00 25.53 C ATOM 650 O GLY A 44 -9.933 13.944 -2.128 1.00 33.45 O ATOM 0 H GLY A 44 -8.432 15.969 1.445 1.00 52.04 H new ATOM 0 HA2 GLY A 44 -10.124 14.837 0.563 1.00 15.22 H new ATOM 0 HA3 GLY A 44 -10.215 16.046 -0.703 1.00 15.22 H new ATOM 654 N LEU A 45 -7.896 13.736 -1.160 1.00 21.43 N ATOM 655 CA LEU A 45 -7.415 12.711 -2.131 1.00 40.11 C ATOM 656 C LEU A 45 -7.507 11.274 -1.540 1.00 23.15 C ATOM 657 O LEU A 45 -6.785 10.352 -1.963 1.00 72.53 O ATOM 658 CB LEU A 45 -5.965 13.034 -2.598 1.00 14.34 C ATOM 659 CG LEU A 45 -5.500 12.307 -3.914 1.00 61.01 C ATOM 660 CD1 LEU A 45 -6.237 12.857 -5.155 1.00 60.31 C ATOM 661 CD2 LEU A 45 -3.968 12.366 -4.084 1.00 11.22 C ATOM 0 H LEU A 45 -7.219 13.978 -0.436 1.00 21.43 H new ATOM 0 HA LEU A 45 -8.070 12.745 -3.002 1.00 40.11 H new ATOM 0 HB2 LEU A 45 -5.882 14.110 -2.749 1.00 14.34 H new ATOM 0 HB3 LEU A 45 -5.276 12.771 -1.795 1.00 14.34 H new ATOM 0 HG LEU A 45 -5.771 11.255 -3.819 1.00 61.01 H new ATOM 0 HD11 LEU A 45 -5.891 12.332 -6.046 1.00 60.31 H new ATOM 0 HD12 LEU A 45 -7.310 12.705 -5.038 1.00 60.31 H new ATOM 0 HD13 LEU A 45 -6.031 13.922 -5.258 1.00 60.31 H new ATOM 0 HD21 LEU A 45 -3.684 11.854 -5.003 1.00 11.22 H new ATOM 0 HD22 LEU A 45 -3.647 13.407 -4.134 1.00 11.22 H new ATOM 0 HD23 LEU A 45 -3.489 11.879 -3.235 1.00 11.22 H new ATOM 673 N ASP A 46 -8.398 11.098 -0.545 1.00 21.00 N ATOM 674 CA ASP A 46 -8.812 9.763 -0.049 1.00 42.43 C ATOM 675 C ASP A 46 -9.151 8.793 -1.227 1.00 24.25 C ATOM 676 O ASP A 46 -9.985 9.102 -2.083 1.00 70.31 O ATOM 677 CB ASP A 46 -9.993 9.903 0.954 1.00 12.44 C ATOM 678 CG ASP A 46 -11.115 10.836 0.463 1.00 60.04 C ATOM 679 OD1 ASP A 46 -11.040 12.060 0.719 1.00 12.30 O ATOM 680 OD2 ASP A 46 -12.066 10.357 -0.189 1.00 43.34 O ATOM 0 H ASP A 46 -8.852 11.872 -0.061 1.00 21.00 H new ATOM 0 HA ASP A 46 -7.973 9.318 0.485 1.00 42.43 H new ATOM 0 HB2 ASP A 46 -10.412 8.916 1.148 1.00 12.44 H new ATOM 0 HB3 ASP A 46 -9.610 10.278 1.903 1.00 12.44 H new ATOM 685 N GLY A 47 -8.482 7.627 -1.240 1.00 51.12 N ATOM 686 CA GLY A 47 -8.437 6.731 -2.418 1.00 42.33 C ATOM 687 C GLY A 47 -7.001 6.423 -2.856 1.00 54.43 C ATOM 688 O GLY A 47 -6.778 5.610 -3.748 1.00 51.33 O ATOM 0 H GLY A 47 -7.957 7.276 -0.439 1.00 51.12 H new ATOM 0 HA2 GLY A 47 -8.951 5.799 -2.183 1.00 42.33 H new ATOM 0 HA3 GLY A 47 -8.976 7.193 -3.245 1.00 42.33 H new ATOM 692 N GLY A 48 -6.048 7.189 -2.309 1.00 2.12 N ATOM 693 CA GLY A 48 -4.630 6.781 -2.290 1.00 11.13 C ATOM 694 C GLY A 48 -4.436 5.362 -1.703 1.00 23.24 C ATOM 695 O GLY A 48 -4.544 5.170 -0.489 1.00 41.12 O ATOM 0 H GLY A 48 -6.229 8.094 -1.874 1.00 2.12 H new ATOM 0 HA2 GLY A 48 -4.232 6.810 -3.304 1.00 11.13 H new ATOM 0 HA3 GLY A 48 -4.056 7.497 -1.702 1.00 11.13 H new ATOM 699 N TYR A 49 -4.178 4.367 -2.581 1.00 22.32 N ATOM 700 CA TYR A 49 -4.060 2.937 -2.195 1.00 42.40 C ATOM 701 C TYR A 49 -2.591 2.472 -2.202 1.00 74.03 C ATOM 702 O TYR A 49 -1.850 2.730 -3.146 1.00 5.41 O ATOM 703 CB TYR A 49 -4.882 2.023 -3.148 1.00 33.01 C ATOM 704 CG TYR A 49 -6.392 1.969 -2.861 1.00 50.13 C ATOM 705 CD1 TYR A 49 -6.887 1.179 -1.826 1.00 3.10 C ATOM 706 CD2 TYR A 49 -7.315 2.687 -3.619 1.00 2.32 C ATOM 707 CE1 TYR A 49 -8.240 1.112 -1.558 1.00 64.01 C ATOM 708 CE2 TYR A 49 -8.670 2.625 -3.346 1.00 71.13 C ATOM 709 CZ TYR A 49 -9.124 1.839 -2.315 1.00 34.14 C ATOM 710 OH TYR A 49 -10.476 1.778 -2.030 1.00 23.43 O ATOM 0 H TYR A 49 -4.045 4.530 -3.579 1.00 22.32 H new ATOM 0 HA TYR A 49 -4.458 2.853 -1.184 1.00 42.40 H new ATOM 0 HB2 TYR A 49 -4.735 2.367 -4.172 1.00 33.01 H new ATOM 0 HB3 TYR A 49 -4.481 1.011 -3.091 1.00 33.01 H new ATOM 0 HD1 TYR A 49 -6.199 0.607 -1.221 1.00 3.10 H new ATOM 0 HD2 TYR A 49 -6.966 3.303 -4.435 1.00 2.32 H new ATOM 0 HE1 TYR A 49 -8.602 0.488 -0.754 1.00 64.01 H new ATOM 0 HE2 TYR A 49 -9.369 3.193 -3.942 1.00 71.13 H new ATOM 0 HH TYR A 49 -10.804 2.674 -1.806 1.00 23.43 H new ATOM 720 N LEU A 50 -2.186 1.787 -1.127 1.00 44.21 N ATOM 721 CA LEU A 50 -0.898 1.080 -1.040 1.00 51.40 C ATOM 722 C LEU A 50 -1.160 -0.434 -1.141 1.00 51.24 C ATOM 723 O LEU A 50 -1.872 -0.998 -0.302 1.00 62.12 O ATOM 724 CB LEU A 50 -0.148 1.408 0.289 1.00 61.35 C ATOM 725 CG LEU A 50 0.363 2.879 0.462 1.00 54.44 C ATOM 726 CD1 LEU A 50 -0.788 3.881 0.687 1.00 21.13 C ATOM 727 CD2 LEU A 50 1.402 2.977 1.594 1.00 40.32 C ATOM 0 H LEU A 50 -2.749 1.705 -0.280 1.00 44.21 H new ATOM 0 HA LEU A 50 -0.261 1.410 -1.860 1.00 51.40 H new ATOM 0 HB2 LEU A 50 -0.813 1.179 1.121 1.00 61.35 H new ATOM 0 HB3 LEU A 50 0.708 0.738 0.371 1.00 61.35 H new ATOM 0 HG LEU A 50 0.847 3.153 -0.476 1.00 54.44 H new ATOM 0 HD11 LEU A 50 -0.379 4.885 0.801 1.00 21.13 H new ATOM 0 HD12 LEU A 50 -1.462 3.859 -0.169 1.00 21.13 H new ATOM 0 HD13 LEU A 50 -1.337 3.608 1.588 1.00 21.13 H new ATOM 0 HD21 LEU A 50 1.738 4.009 1.691 1.00 40.32 H new ATOM 0 HD22 LEU A 50 0.950 2.653 2.532 1.00 40.32 H new ATOM 0 HD23 LEU A 50 2.254 2.338 1.362 1.00 40.32 H new ATOM 739 N LEU A 51 -0.604 -1.091 -2.169 1.00 75.34 N ATOM 740 CA LEU A 51 -0.836 -2.528 -2.409 1.00 4.44 C ATOM 741 C LEU A 51 0.400 -3.345 -1.960 1.00 32.13 C ATOM 742 O LEU A 51 1.429 -3.348 -2.631 1.00 11.34 O ATOM 743 CB LEU A 51 -1.142 -2.734 -3.925 1.00 3.33 C ATOM 744 CG LEU A 51 -1.598 -4.162 -4.351 1.00 14.33 C ATOM 745 CD1 LEU A 51 -2.848 -4.596 -3.569 1.00 0.52 C ATOM 746 CD2 LEU A 51 -1.841 -4.245 -5.882 1.00 1.24 C ATOM 0 H LEU A 51 0.012 -0.650 -2.852 1.00 75.34 H new ATOM 0 HA LEU A 51 -1.688 -2.880 -1.827 1.00 4.44 H new ATOM 0 HB2 LEU A 51 -1.918 -2.026 -4.216 1.00 3.33 H new ATOM 0 HB3 LEU A 51 -0.247 -2.477 -4.492 1.00 3.33 H new ATOM 0 HG LEU A 51 -0.791 -4.854 -4.108 1.00 14.33 H new ATOM 0 HD11 LEU A 51 -3.146 -5.596 -3.885 1.00 0.52 H new ATOM 0 HD12 LEU A 51 -2.625 -4.604 -2.502 1.00 0.52 H new ATOM 0 HD13 LEU A 51 -3.661 -3.897 -3.765 1.00 0.52 H new ATOM 0 HD21 LEU A 51 -2.158 -5.254 -6.146 1.00 1.24 H new ATOM 0 HD22 LEU A 51 -2.618 -3.535 -6.166 1.00 1.24 H new ATOM 0 HD23 LEU A 51 -0.918 -4.005 -6.410 1.00 1.24 H new ATOM 758 N LEU A 52 0.275 -4.061 -0.826 1.00 44.21 N ATOM 759 CA LEU A 52 1.392 -4.812 -0.197 1.00 32.14 C ATOM 760 C LEU A 52 1.426 -6.280 -0.672 1.00 34.41 C ATOM 761 O LEU A 52 0.401 -6.963 -0.686 1.00 35.53 O ATOM 762 CB LEU A 52 1.296 -4.749 1.367 1.00 52.40 C ATOM 763 CG LEU A 52 1.771 -3.426 2.059 1.00 12.42 C ATOM 764 CD1 LEU A 52 3.267 -3.161 1.803 1.00 30.13 C ATOM 765 CD2 LEU A 52 0.905 -2.210 1.664 1.00 2.52 C ATOM 0 H LEU A 52 -0.604 -4.139 -0.315 1.00 44.21 H new ATOM 0 HA LEU A 52 2.321 -4.336 -0.510 1.00 32.14 H new ATOM 0 HB2 LEU A 52 0.258 -4.925 1.649 1.00 52.40 H new ATOM 0 HB3 LEU A 52 1.881 -5.573 1.775 1.00 52.40 H new ATOM 0 HG LEU A 52 1.638 -3.569 3.131 1.00 12.42 H new ATOM 0 HD11 LEU A 52 3.562 -2.236 2.297 1.00 30.13 H new ATOM 0 HD12 LEU A 52 3.856 -3.988 2.199 1.00 30.13 H new ATOM 0 HD13 LEU A 52 3.442 -3.072 0.731 1.00 30.13 H new ATOM 0 HD21 LEU A 52 1.276 -1.319 2.171 1.00 2.52 H new ATOM 0 HD22 LEU A 52 0.956 -2.062 0.585 1.00 2.52 H new ATOM 0 HD23 LEU A 52 -0.129 -2.390 1.957 1.00 2.52 H new ATOM 777 N GLY A 53 2.631 -6.746 -1.037 1.00 32.54 N ATOM 778 CA GLY A 53 2.842 -8.117 -1.532 1.00 40.12 C ATOM 779 C GLY A 53 2.971 -8.174 -3.049 1.00 62.03 C ATOM 780 O GLY A 53 2.529 -9.128 -3.695 1.00 3.24 O ATOM 0 H GLY A 53 3.483 -6.187 -0.998 1.00 32.54 H new ATOM 0 HA2 GLY A 53 3.743 -8.530 -1.078 1.00 40.12 H new ATOM 0 HA3 GLY A 53 2.009 -8.746 -1.217 1.00 40.12 H new ATOM 784 N VAL A 54 3.564 -7.121 -3.625 1.00 73.13 N ATOM 785 CA VAL A 54 3.835 -7.039 -5.070 1.00 24.43 C ATOM 786 C VAL A 54 5.356 -7.035 -5.318 1.00 74.30 C ATOM 787 O VAL A 54 6.110 -6.393 -4.591 1.00 31.11 O ATOM 788 CB VAL A 54 3.196 -5.742 -5.702 1.00 72.44 C ATOM 789 CG1 VAL A 54 3.356 -5.708 -7.246 1.00 3.20 C ATOM 790 CG2 VAL A 54 1.709 -5.612 -5.306 1.00 24.42 C ATOM 0 H VAL A 54 3.871 -6.300 -3.104 1.00 73.13 H new ATOM 0 HA VAL A 54 3.384 -7.910 -5.546 1.00 24.43 H new ATOM 0 HB VAL A 54 3.739 -4.887 -5.299 1.00 72.44 H new ATOM 0 HG11 VAL A 54 2.902 -4.798 -7.639 1.00 3.20 H new ATOM 0 HG12 VAL A 54 4.415 -5.725 -7.502 1.00 3.20 H new ATOM 0 HG13 VAL A 54 2.863 -6.577 -7.682 1.00 3.20 H new ATOM 0 HG21 VAL A 54 1.291 -4.710 -5.754 1.00 24.42 H new ATOM 0 HG22 VAL A 54 1.160 -6.483 -5.663 1.00 24.42 H new ATOM 0 HG23 VAL A 54 1.625 -5.551 -4.221 1.00 24.42 H new ATOM 800 N ASP A 55 5.774 -7.756 -6.352 1.00 3.33 N ATOM 801 CA ASP A 55 7.156 -7.748 -6.857 1.00 34.03 C ATOM 802 C ASP A 55 7.155 -6.939 -8.171 1.00 23.05 C ATOM 803 O ASP A 55 6.106 -6.757 -8.782 1.00 43.24 O ATOM 804 CB ASP A 55 7.640 -9.204 -7.089 1.00 21.03 C ATOM 805 CG ASP A 55 9.122 -9.310 -7.485 1.00 74.14 C ATOM 806 OD1 ASP A 55 9.982 -9.393 -6.582 1.00 13.10 O ATOM 807 OD2 ASP A 55 9.436 -9.295 -8.696 1.00 40.53 O ATOM 0 H ASP A 55 5.157 -8.376 -6.877 1.00 3.33 H new ATOM 0 HA ASP A 55 7.839 -7.292 -6.141 1.00 34.03 H new ATOM 0 HB2 ASP A 55 7.475 -9.781 -6.179 1.00 21.03 H new ATOM 0 HB3 ASP A 55 7.031 -9.659 -7.870 1.00 21.03 H new ATOM 812 N TRP A 56 8.311 -6.436 -8.592 1.00 1.15 N ATOM 813 CA TRP A 56 8.431 -5.715 -9.878 1.00 1.54 C ATOM 814 C TRP A 56 9.817 -5.924 -10.509 1.00 13.44 C ATOM 815 O TRP A 56 10.839 -5.962 -9.815 1.00 31.50 O ATOM 816 CB TRP A 56 8.077 -4.206 -9.725 1.00 13.03 C ATOM 817 CG TRP A 56 8.782 -3.477 -8.594 1.00 45.33 C ATOM 818 CD1 TRP A 56 10.010 -2.868 -8.626 1.00 35.33 C ATOM 819 CD2 TRP A 56 8.270 -3.266 -7.269 1.00 23.33 C ATOM 820 NE1 TRP A 56 10.288 -2.308 -7.405 1.00 1.40 N ATOM 821 CE2 TRP A 56 9.239 -2.539 -6.556 1.00 3.14 C ATOM 822 CE3 TRP A 56 7.089 -3.632 -6.615 1.00 24.43 C ATOM 823 CZ2 TRP A 56 9.060 -2.158 -5.228 1.00 53.25 C ATOM 824 CZ3 TRP A 56 6.914 -3.259 -5.299 1.00 53.25 C ATOM 825 CH2 TRP A 56 7.897 -2.526 -4.617 1.00 22.52 C ATOM 0 H TRP A 56 9.184 -6.508 -8.070 1.00 1.15 H new ATOM 0 HA TRP A 56 7.700 -6.141 -10.565 1.00 1.54 H new ATOM 0 HB2 TRP A 56 8.311 -3.700 -10.661 1.00 13.03 H new ATOM 0 HB3 TRP A 56 7.001 -4.117 -9.575 1.00 13.03 H new ATOM 0 HD1 TRP A 56 10.662 -2.834 -9.486 1.00 35.33 H new ATOM 0 HE1 TRP A 56 11.140 -1.800 -7.167 1.00 1.40 H new ATOM 0 HE3 TRP A 56 6.327 -4.197 -7.132 1.00 24.43 H new ATOM 0 HZ2 TRP A 56 9.814 -1.592 -4.701 1.00 53.25 H new ATOM 0 HZ3 TRP A 56 6.005 -3.536 -4.785 1.00 53.25 H new ATOM 0 HH2 TRP A 56 7.730 -2.247 -3.587 1.00 22.52 H new ATOM 836 N ALA A 57 9.828 -6.072 -11.843 1.00 43.34 N ATOM 837 CA ALA A 57 11.043 -6.366 -12.623 1.00 62.30 C ATOM 838 C ALA A 57 11.125 -5.467 -13.877 1.00 0.54 C ATOM 839 O ALA A 57 10.110 -5.177 -14.519 1.00 14.35 O ATOM 840 CB ALA A 57 11.062 -7.855 -13.017 1.00 74.03 C ATOM 0 H ALA A 57 8.988 -5.991 -12.416 1.00 43.34 H new ATOM 0 HA ALA A 57 11.915 -6.153 -12.005 1.00 62.30 H new ATOM 0 HB1 ALA A 57 11.962 -8.067 -13.594 1.00 74.03 H new ATOM 0 HB2 ALA A 57 11.054 -8.470 -12.117 1.00 74.03 H new ATOM 0 HB3 ALA A 57 10.183 -8.083 -13.620 1.00 74.03 H new ATOM 846 N ILE A 58 12.348 -5.033 -14.205 1.00 50.20 N ATOM 847 CA ILE A 58 12.635 -4.223 -15.402 1.00 55.33 C ATOM 848 C ILE A 58 12.725 -5.127 -16.657 1.00 61.40 C ATOM 849 O ILE A 58 13.515 -6.082 -16.689 1.00 52.32 O ATOM 850 CB ILE A 58 13.972 -3.409 -15.181 1.00 0.54 C ATOM 851 CG1 ILE A 58 13.803 -2.370 -14.020 1.00 22.21 C ATOM 852 CG2 ILE A 58 14.473 -2.724 -16.477 1.00 3.44 C ATOM 853 CD1 ILE A 58 12.755 -1.282 -14.264 1.00 22.23 C ATOM 0 H ILE A 58 13.176 -5.234 -13.644 1.00 50.20 H new ATOM 0 HA ILE A 58 11.823 -3.515 -15.565 1.00 55.33 H new ATOM 0 HB ILE A 58 14.740 -4.128 -14.894 1.00 0.54 H new ATOM 0 HG12 ILE A 58 13.540 -2.907 -13.109 1.00 22.21 H new ATOM 0 HG13 ILE A 58 14.765 -1.891 -13.840 1.00 22.21 H new ATOM 0 HG21 ILE A 58 15.394 -2.179 -16.268 1.00 3.44 H new ATOM 0 HG22 ILE A 58 14.664 -3.481 -17.238 1.00 3.44 H new ATOM 0 HG23 ILE A 58 13.714 -2.030 -16.838 1.00 3.44 H new ATOM 0 HD11 ILE A 58 12.716 -0.615 -13.403 1.00 22.23 H new ATOM 0 HD12 ILE A 58 13.023 -0.711 -15.153 1.00 22.23 H new ATOM 0 HD13 ILE A 58 11.778 -1.744 -14.410 1.00 22.23 H new ATOM 865 N ASN A 59 11.902 -4.823 -17.688 1.00 35.33 N ATOM 866 CA ASN A 59 11.866 -5.619 -18.942 1.00 40.40 C ATOM 867 C ASN A 59 13.000 -5.200 -19.920 1.00 71.33 C ATOM 868 O ASN A 59 13.830 -4.344 -19.591 1.00 30.52 O ATOM 869 CB ASN A 59 10.454 -5.534 -19.612 1.00 53.21 C ATOM 870 CG ASN A 59 10.015 -4.136 -20.092 1.00 25.13 C ATOM 871 OD1 ASN A 59 10.816 -3.282 -20.429 1.00 61.04 O ATOM 872 ND2 ASN A 59 8.717 -3.911 -20.169 1.00 72.43 N ATOM 0 H ASN A 59 11.255 -4.035 -17.678 1.00 35.33 H new ATOM 0 HA ASN A 59 12.046 -6.662 -18.683 1.00 40.40 H new ATOM 0 HB2 ASN A 59 10.438 -6.211 -20.466 1.00 53.21 H new ATOM 0 HB3 ASN A 59 9.714 -5.901 -18.901 1.00 53.21 H new ATOM 0 HD21 ASN A 59 8.374 -3.014 -20.514 1.00 72.43 H new ATOM 0 HD22 ASN A 59 8.056 -4.634 -19.884 1.00 72.43 H new ATOM 879 N ASP A 60 13.009 -5.801 -21.126 1.00 60.22 N ATOM 880 CA ASP A 60 14.040 -5.548 -22.173 1.00 43.24 C ATOM 881 C ASP A 60 14.110 -4.058 -22.620 1.00 34.24 C ATOM 882 O ASP A 60 15.184 -3.563 -22.981 1.00 4.22 O ATOM 883 CB ASP A 60 13.765 -6.461 -23.393 1.00 71.41 C ATOM 884 CG ASP A 60 13.812 -7.958 -23.032 1.00 23.54 C ATOM 885 OD1 ASP A 60 12.807 -8.489 -22.504 1.00 70.21 O ATOM 886 OD2 ASP A 60 14.859 -8.603 -23.249 1.00 23.43 O ATOM 0 H ASP A 60 12.302 -6.479 -21.410 1.00 60.22 H new ATOM 0 HA ASP A 60 15.010 -5.781 -21.734 1.00 43.24 H new ATOM 0 HB2 ASP A 60 12.786 -6.221 -23.809 1.00 71.41 H new ATOM 0 HB3 ASP A 60 14.501 -6.255 -24.170 1.00 71.41 H new ATOM 891 N LYS A 61 12.962 -3.353 -22.585 1.00 64.11 N ATOM 892 CA LYS A 61 12.879 -1.915 -22.951 1.00 50.32 C ATOM 893 C LYS A 61 13.330 -1.004 -21.780 1.00 73.14 C ATOM 894 O LYS A 61 13.873 0.083 -22.001 1.00 35.13 O ATOM 895 CB LYS A 61 11.432 -1.555 -23.371 1.00 61.45 C ATOM 896 CG LYS A 61 10.901 -2.351 -24.584 1.00 45.51 C ATOM 897 CD LYS A 61 9.452 -1.962 -24.952 1.00 23.21 C ATOM 898 CE LYS A 61 8.932 -2.698 -26.197 1.00 54.34 C ATOM 899 NZ LYS A 61 8.898 -4.174 -26.020 1.00 2.21 N ATOM 0 H LYS A 61 12.068 -3.756 -22.305 1.00 64.11 H new ATOM 0 HA LYS A 61 13.554 -1.745 -23.790 1.00 50.32 H new ATOM 0 HB2 LYS A 61 10.768 -1.724 -22.523 1.00 61.45 H new ATOM 0 HB3 LYS A 61 11.388 -0.491 -23.603 1.00 61.45 H new ATOM 0 HG2 LYS A 61 11.550 -2.177 -25.442 1.00 45.51 H new ATOM 0 HG3 LYS A 61 10.943 -3.417 -24.363 1.00 45.51 H new ATOM 0 HD2 LYS A 61 8.797 -2.179 -24.108 1.00 23.21 H new ATOM 0 HD3 LYS A 61 9.403 -0.887 -25.125 1.00 23.21 H new ATOM 0 HE2 LYS A 61 7.929 -2.341 -26.432 1.00 54.34 H new ATOM 0 HE3 LYS A 61 9.565 -2.453 -27.050 1.00 54.34 H new ATOM 0 HZ1 LYS A 61 8.477 -4.615 -26.862 1.00 2.21 H new ATOM 0 HZ2 LYS A 61 9.866 -4.530 -25.890 1.00 2.21 H new ATOM 0 HZ3 LYS A 61 8.327 -4.410 -25.183 1.00 2.21 H new ATOM 913 N GLY A 62 13.097 -1.465 -20.537 1.00 43.31 N ATOM 914 CA GLY A 62 13.442 -0.701 -19.325 1.00 60.13 C ATOM 915 C GLY A 62 12.234 -0.291 -18.468 1.00 75.22 C ATOM 916 O GLY A 62 12.382 0.505 -17.535 1.00 25.13 O ATOM 0 H GLY A 62 12.668 -2.370 -20.346 1.00 43.31 H new ATOM 0 HA2 GLY A 62 14.119 -1.298 -18.714 1.00 60.13 H new ATOM 0 HA3 GLY A 62 13.985 0.197 -19.619 1.00 60.13 H new ATOM 920 N ASP A 63 11.043 -0.830 -18.783 1.00 75.32 N ATOM 921 CA ASP A 63 9.790 -0.534 -18.048 1.00 62.11 C ATOM 922 C ASP A 63 9.607 -1.445 -16.806 1.00 41.13 C ATOM 923 O ASP A 63 10.008 -2.612 -16.814 1.00 11.13 O ATOM 924 CB ASP A 63 8.578 -0.698 -18.994 1.00 43.32 C ATOM 925 CG ASP A 63 8.661 0.220 -20.218 1.00 71.34 C ATOM 926 OD1 ASP A 63 8.431 1.441 -20.070 1.00 4.41 O ATOM 927 OD2 ASP A 63 8.970 -0.267 -21.328 1.00 12.53 O ATOM 0 H ASP A 63 10.917 -1.485 -19.555 1.00 75.32 H new ATOM 0 HA ASP A 63 9.855 0.495 -17.694 1.00 62.11 H new ATOM 0 HB2 ASP A 63 8.517 -1.735 -19.325 1.00 43.32 H new ATOM 0 HB3 ASP A 63 7.661 -0.484 -18.445 1.00 43.32 H new ATOM 932 N THR A 64 8.968 -0.888 -15.760 1.00 21.04 N ATOM 933 CA THR A 64 8.697 -1.600 -14.489 1.00 70.13 C ATOM 934 C THR A 64 7.366 -2.397 -14.574 1.00 24.30 C ATOM 935 O THR A 64 6.279 -1.808 -14.619 1.00 23.45 O ATOM 936 CB THR A 64 8.633 -0.585 -13.286 1.00 32.43 C ATOM 937 OG1 THR A 64 9.806 0.246 -13.280 1.00 12.35 O ATOM 938 CG2 THR A 64 8.524 -1.302 -11.930 1.00 43.43 C ATOM 0 H THR A 64 8.623 0.072 -15.769 1.00 21.04 H new ATOM 0 HA THR A 64 9.515 -2.300 -14.319 1.00 70.13 H new ATOM 0 HB THR A 64 7.738 0.022 -13.425 1.00 32.43 H new ATOM 0 HG1 THR A 64 9.757 0.875 -12.530 1.00 12.35 H new ATOM 0 HG21 THR A 64 8.483 -0.563 -11.130 1.00 43.43 H new ATOM 0 HG22 THR A 64 7.619 -1.908 -11.911 1.00 43.43 H new ATOM 0 HG23 THR A 64 9.393 -1.944 -11.787 1.00 43.43 H new ATOM 946 N VAL A 65 7.463 -3.738 -14.609 1.00 31.21 N ATOM 947 CA VAL A 65 6.288 -4.642 -14.687 1.00 71.40 C ATOM 948 C VAL A 65 5.941 -5.189 -13.279 1.00 1.51 C ATOM 949 O VAL A 65 6.787 -5.813 -12.632 1.00 22.32 O ATOM 950 CB VAL A 65 6.556 -5.839 -15.679 1.00 52.31 C ATOM 951 CG1 VAL A 65 5.310 -6.758 -15.816 1.00 13.32 C ATOM 952 CG2 VAL A 65 7.016 -5.316 -17.066 1.00 25.13 C ATOM 0 H VAL A 65 8.355 -4.231 -14.584 1.00 31.21 H new ATOM 0 HA VAL A 65 5.444 -4.067 -15.067 1.00 71.40 H new ATOM 0 HB VAL A 65 7.361 -6.441 -15.258 1.00 52.31 H new ATOM 0 HG11 VAL A 65 5.532 -7.571 -16.507 1.00 13.32 H new ATOM 0 HG12 VAL A 65 5.053 -7.171 -14.840 1.00 13.32 H new ATOM 0 HG13 VAL A 65 4.470 -6.177 -16.197 1.00 13.32 H new ATOM 0 HG21 VAL A 65 7.194 -6.160 -17.732 1.00 25.13 H new ATOM 0 HG22 VAL A 65 6.241 -4.677 -17.489 1.00 25.13 H new ATOM 0 HG23 VAL A 65 7.936 -4.743 -16.952 1.00 25.13 H new ATOM 962 N TYR A 66 4.691 -4.975 -12.821 1.00 51.51 N ATOM 963 CA TYR A 66 4.253 -5.347 -11.452 1.00 73.13 C ATOM 964 C TYR A 66 3.588 -6.746 -11.425 1.00 35.12 C ATOM 965 O TYR A 66 2.512 -6.961 -11.989 1.00 23.13 O ATOM 966 CB TYR A 66 3.293 -4.266 -10.894 1.00 63.43 C ATOM 967 CG TYR A 66 3.963 -2.895 -10.700 1.00 11.14 C ATOM 968 CD1 TYR A 66 4.010 -1.955 -11.736 1.00 44.53 C ATOM 969 CD2 TYR A 66 4.565 -2.553 -9.485 1.00 1.21 C ATOM 970 CE1 TYR A 66 4.623 -0.728 -11.560 1.00 41.01 C ATOM 971 CE2 TYR A 66 5.178 -1.329 -9.310 1.00 3.51 C ATOM 972 CZ TYR A 66 5.204 -0.422 -10.347 1.00 54.43 C ATOM 973 OH TYR A 66 5.823 0.795 -10.166 1.00 24.54 O ATOM 0 H TYR A 66 3.958 -4.542 -13.382 1.00 51.51 H new ATOM 0 HA TYR A 66 5.135 -5.400 -10.814 1.00 73.13 H new ATOM 0 HB2 TYR A 66 2.448 -4.156 -11.573 1.00 63.43 H new ATOM 0 HB3 TYR A 66 2.892 -4.605 -9.939 1.00 63.43 H new ATOM 0 HD1 TYR A 66 3.560 -2.192 -12.689 1.00 44.53 H new ATOM 0 HD2 TYR A 66 4.550 -3.260 -8.669 1.00 1.21 H new ATOM 0 HE1 TYR A 66 4.647 -0.013 -12.369 1.00 41.01 H new ATOM 0 HE2 TYR A 66 5.636 -1.083 -8.363 1.00 3.51 H new ATOM 0 HH TYR A 66 6.178 0.849 -9.254 1.00 24.54 H new ATOM 983 N ARG A 67 4.249 -7.680 -10.738 1.00 61.31 N ATOM 984 CA ARG A 67 3.836 -9.093 -10.609 1.00 74.21 C ATOM 985 C ARG A 67 3.531 -9.435 -9.115 1.00 44.14 C ATOM 986 O ARG A 67 4.449 -9.482 -8.291 1.00 22.15 O ATOM 987 CB ARG A 67 4.967 -9.994 -11.209 1.00 64.04 C ATOM 988 CG ARG A 67 6.397 -9.624 -10.740 1.00 2.31 C ATOM 989 CD ARG A 67 7.513 -10.443 -11.416 1.00 63.43 C ATOM 990 NE ARG A 67 7.465 -11.877 -11.063 1.00 60.24 N ATOM 991 CZ ARG A 67 8.398 -12.538 -10.400 1.00 62.34 C ATOM 992 NH1 ARG A 67 9.422 -11.932 -9.877 1.00 4.31 N ATOM 993 NH2 ARG A 67 8.279 -13.809 -10.235 1.00 64.24 N ATOM 0 H ARG A 67 5.114 -7.475 -10.238 1.00 61.31 H new ATOM 0 HA ARG A 67 2.916 -9.278 -11.163 1.00 74.21 H new ATOM 0 HB2 ARG A 67 4.768 -11.032 -10.943 1.00 64.04 H new ATOM 0 HB3 ARG A 67 4.927 -9.931 -12.296 1.00 64.04 H new ATOM 0 HG2 ARG A 67 6.569 -8.565 -10.935 1.00 2.31 H new ATOM 0 HG3 ARG A 67 6.461 -9.764 -9.661 1.00 2.31 H new ATOM 0 HD2 ARG A 67 7.431 -10.337 -12.498 1.00 63.43 H new ATOM 0 HD3 ARG A 67 8.482 -10.035 -11.128 1.00 63.43 H new ATOM 0 HE ARG A 67 6.641 -12.402 -11.356 1.00 60.24 H new ATOM 0 HH11 ARG A 67 9.520 -10.921 -9.973 1.00 4.31 H new ATOM 0 HH12 ARG A 67 10.127 -12.467 -9.370 1.00 4.31 H new ATOM 0 HH21 ARG A 67 7.469 -14.299 -10.615 1.00 64.24 H new ATOM 0 HH22 ARG A 67 8.995 -14.326 -9.725 1.00 64.24 H new ATOM 1007 N PRO A 68 2.227 -9.667 -8.725 1.00 51.52 N ATOM 1008 CA PRO A 68 1.854 -9.908 -7.307 1.00 1.35 C ATOM 1009 C PRO A 68 2.320 -11.301 -6.802 1.00 43.23 C ATOM 1010 O PRO A 68 1.782 -12.334 -7.205 1.00 54.12 O ATOM 1011 CB PRO A 68 0.308 -9.782 -7.326 1.00 61.43 C ATOM 1012 CG PRO A 68 -0.086 -10.204 -8.708 1.00 51.11 C ATOM 1013 CD PRO A 68 1.036 -9.728 -9.624 1.00 31.02 C ATOM 0 HA PRO A 68 2.331 -9.209 -6.620 1.00 1.35 H new ATOM 0 HB2 PRO A 68 -0.151 -10.419 -6.570 1.00 61.43 H new ATOM 0 HB3 PRO A 68 -0.010 -8.760 -7.117 1.00 61.43 H new ATOM 0 HG2 PRO A 68 -0.206 -11.286 -8.767 1.00 51.11 H new ATOM 0 HG3 PRO A 68 -1.040 -9.761 -8.995 1.00 51.11 H new ATOM 0 HD2 PRO A 68 1.195 -10.417 -10.453 1.00 31.02 H new ATOM 0 HD3 PRO A 68 0.812 -8.754 -10.058 1.00 31.02 H new ATOM 1021 N VAL A 69 3.368 -11.322 -5.959 1.00 33.05 N ATOM 1022 CA VAL A 69 3.916 -12.576 -5.375 1.00 64.44 C ATOM 1023 C VAL A 69 3.304 -12.902 -3.992 1.00 31.12 C ATOM 1024 O VAL A 69 3.533 -13.988 -3.444 1.00 23.12 O ATOM 1025 CB VAL A 69 5.484 -12.492 -5.269 1.00 5.23 C ATOM 1026 CG1 VAL A 69 6.116 -12.419 -6.680 1.00 63.44 C ATOM 1027 CG2 VAL A 69 5.931 -11.287 -4.389 1.00 1.55 C ATOM 0 H VAL A 69 3.861 -10.481 -5.660 1.00 33.05 H new ATOM 0 HA VAL A 69 3.641 -13.388 -6.049 1.00 64.44 H new ATOM 0 HB VAL A 69 5.840 -13.399 -4.780 1.00 5.23 H new ATOM 0 HG11 VAL A 69 7.201 -12.361 -6.590 1.00 63.44 H new ATOM 0 HG12 VAL A 69 5.846 -13.310 -7.246 1.00 63.44 H new ATOM 0 HG13 VAL A 69 5.747 -11.534 -7.198 1.00 63.44 H new ATOM 0 HG21 VAL A 69 7.019 -11.259 -4.337 1.00 1.55 H new ATOM 0 HG22 VAL A 69 5.564 -10.359 -4.829 1.00 1.55 H new ATOM 0 HG23 VAL A 69 5.522 -11.399 -3.385 1.00 1.55 H new ATOM 1037 N GLY A 70 2.529 -11.952 -3.449 1.00 63.13 N ATOM 1038 CA GLY A 70 1.821 -12.127 -2.178 1.00 71.41 C ATOM 1039 C GLY A 70 2.678 -11.881 -0.927 1.00 73.43 C ATOM 1040 O GLY A 70 3.829 -11.435 -1.007 1.00 3.33 O ATOM 0 H GLY A 70 2.377 -11.041 -3.881 1.00 63.13 H new ATOM 0 HA2 GLY A 70 0.968 -11.449 -2.157 1.00 71.41 H new ATOM 0 HA3 GLY A 70 1.423 -13.141 -2.136 1.00 71.41 H new ATOM 1044 N LEU A 71 2.076 -12.157 0.236 1.00 21.44 N ATOM 1045 CA LEU A 71 2.708 -12.024 1.564 1.00 44.24 C ATOM 1046 C LEU A 71 2.715 -13.411 2.264 1.00 1.44 C ATOM 1047 O LEU A 71 1.646 -14.028 2.380 1.00 54.24 O ATOM 1048 CB LEU A 71 1.908 -10.989 2.413 1.00 32.42 C ATOM 1049 CG LEU A 71 1.903 -9.514 1.886 1.00 51.30 C ATOM 1050 CD1 LEU A 71 0.798 -8.672 2.567 1.00 72.42 C ATOM 1051 CD2 LEU A 71 3.294 -8.849 2.065 1.00 63.21 C ATOM 0 H LEU A 71 1.112 -12.487 0.286 1.00 21.44 H new ATOM 0 HA LEU A 71 3.735 -11.674 1.459 1.00 44.24 H new ATOM 0 HB2 LEU A 71 0.875 -11.330 2.484 1.00 32.42 H new ATOM 0 HB3 LEU A 71 2.314 -10.989 3.424 1.00 32.42 H new ATOM 0 HG LEU A 71 1.682 -9.551 0.819 1.00 51.30 H new ATOM 0 HD11 LEU A 71 0.824 -7.654 2.177 1.00 72.42 H new ATOM 0 HD12 LEU A 71 -0.176 -9.115 2.360 1.00 72.42 H new ATOM 0 HD13 LEU A 71 0.967 -8.653 3.644 1.00 72.42 H new ATOM 0 HD21 LEU A 71 3.259 -7.826 1.690 1.00 63.21 H new ATOM 0 HD22 LEU A 71 3.559 -8.839 3.122 1.00 63.21 H new ATOM 0 HD23 LEU A 71 4.042 -9.414 1.509 1.00 63.21 H new ATOM 1063 N PRO A 72 3.910 -13.942 2.714 1.00 31.11 N ATOM 1064 CA PRO A 72 3.989 -15.244 3.438 1.00 1.34 C ATOM 1065 C PRO A 72 3.170 -15.251 4.760 1.00 1.34 C ATOM 1066 O PRO A 72 2.530 -16.249 5.096 1.00 2.33 O ATOM 1067 CB PRO A 72 5.514 -15.433 3.692 1.00 74.43 C ATOM 1068 CG PRO A 72 6.098 -14.057 3.565 1.00 4.33 C ATOM 1069 CD PRO A 72 5.263 -13.355 2.516 1.00 64.13 C ATOM 0 HA PRO A 72 3.553 -16.060 2.862 1.00 1.34 H new ATOM 0 HB2 PRO A 72 5.701 -15.852 4.681 1.00 74.43 H new ATOM 0 HB3 PRO A 72 5.954 -16.118 2.967 1.00 74.43 H new ATOM 0 HG2 PRO A 72 6.060 -13.526 4.516 1.00 4.33 H new ATOM 0 HG3 PRO A 72 7.145 -14.102 3.267 1.00 4.33 H new ATOM 0 HD2 PRO A 72 5.259 -12.275 2.661 1.00 64.13 H new ATOM 0 HD3 PRO A 72 5.640 -13.541 1.510 1.00 64.13 H new ATOM 1077 N ASP A 73 3.199 -14.123 5.497 1.00 52.31 N ATOM 1078 CA ASP A 73 2.365 -13.913 6.708 1.00 31.51 C ATOM 1079 C ASP A 73 1.480 -12.643 6.520 1.00 34.00 C ATOM 1080 O ASP A 73 1.786 -11.578 7.071 1.00 35.01 O ATOM 1081 CB ASP A 73 3.273 -13.791 7.959 1.00 54.23 C ATOM 1082 CG ASP A 73 4.232 -14.982 8.119 1.00 44.05 C ATOM 1083 OD1 ASP A 73 3.846 -15.995 8.746 1.00 62.34 O ATOM 1084 OD2 ASP A 73 5.368 -14.914 7.598 1.00 3.01 O ATOM 0 H ASP A 73 3.799 -13.329 5.274 1.00 52.31 H new ATOM 0 HA ASP A 73 1.706 -14.768 6.855 1.00 31.51 H new ATOM 0 HB2 ASP A 73 3.853 -12.870 7.893 1.00 54.23 H new ATOM 0 HB3 ASP A 73 2.649 -13.711 8.849 1.00 54.23 H new ATOM 1089 N PRO A 74 0.364 -12.740 5.721 1.00 51.24 N ATOM 1090 CA PRO A 74 -0.415 -11.551 5.277 1.00 2.41 C ATOM 1091 C PRO A 74 -1.275 -10.901 6.387 1.00 74.11 C ATOM 1092 O PRO A 74 -1.386 -9.665 6.447 1.00 70.31 O ATOM 1093 CB PRO A 74 -1.282 -12.126 4.132 1.00 33.15 C ATOM 1094 CG PRO A 74 -1.490 -13.569 4.494 1.00 55.24 C ATOM 1095 CD PRO A 74 -0.222 -14.010 5.195 1.00 33.23 C ATOM 0 HA PRO A 74 0.235 -10.729 4.975 1.00 2.41 H new ATOM 0 HB2 PRO A 74 -2.232 -11.598 4.052 1.00 33.15 H new ATOM 0 HB3 PRO A 74 -0.781 -12.028 3.169 1.00 33.15 H new ATOM 0 HG2 PRO A 74 -2.357 -13.687 5.144 1.00 55.24 H new ATOM 0 HG3 PRO A 74 -1.674 -14.172 3.605 1.00 55.24 H new ATOM 0 HD2 PRO A 74 -0.435 -14.714 6.000 1.00 33.23 H new ATOM 0 HD3 PRO A 74 0.461 -14.509 4.507 1.00 33.23 H new ATOM 1103 N ASP A 75 -1.874 -11.733 7.265 1.00 24.24 N ATOM 1104 CA ASP A 75 -2.704 -11.248 8.385 1.00 62.44 C ATOM 1105 C ASP A 75 -1.826 -10.480 9.396 1.00 63.24 C ATOM 1106 O ASP A 75 -2.236 -9.448 9.922 1.00 71.04 O ATOM 1107 CB ASP A 75 -3.449 -12.431 9.061 1.00 25.11 C ATOM 1108 CG ASP A 75 -4.454 -11.982 10.144 1.00 30.22 C ATOM 1109 OD1 ASP A 75 -5.626 -11.690 9.807 1.00 4.11 O ATOM 1110 OD2 ASP A 75 -4.080 -11.915 11.337 1.00 23.52 O ATOM 0 H ASP A 75 -1.797 -12.749 7.218 1.00 24.24 H new ATOM 0 HA ASP A 75 -3.458 -10.561 8.001 1.00 62.44 H new ATOM 0 HB2 ASP A 75 -3.979 -13.001 8.298 1.00 25.11 H new ATOM 0 HB3 ASP A 75 -2.717 -13.103 9.510 1.00 25.11 H new ATOM 1115 N LYS A 76 -0.591 -10.978 9.607 1.00 51.14 N ATOM 1116 CA LYS A 76 0.393 -10.324 10.487 1.00 14.31 C ATOM 1117 C LYS A 76 0.832 -8.943 9.934 1.00 11.11 C ATOM 1118 O LYS A 76 0.981 -8.000 10.699 1.00 14.10 O ATOM 1119 CB LYS A 76 1.621 -11.238 10.747 1.00 32.32 C ATOM 1120 CG LYS A 76 2.694 -10.571 11.638 1.00 14.43 C ATOM 1121 CD LYS A 76 3.746 -11.537 12.208 1.00 2.25 C ATOM 1122 CE LYS A 76 4.778 -10.801 13.086 1.00 45.11 C ATOM 1123 NZ LYS A 76 4.131 -9.974 14.144 1.00 54.41 N ATOM 0 H LYS A 76 -0.252 -11.838 9.175 1.00 51.14 H new ATOM 0 HA LYS A 76 -0.101 -10.151 11.443 1.00 14.31 H new ATOM 0 HB2 LYS A 76 1.286 -12.161 11.221 1.00 32.32 H new ATOM 0 HB3 LYS A 76 2.070 -11.514 9.793 1.00 32.32 H new ATOM 0 HG2 LYS A 76 3.203 -9.802 11.057 1.00 14.43 H new ATOM 0 HG3 LYS A 76 2.197 -10.067 12.467 1.00 14.43 H new ATOM 0 HD2 LYS A 76 3.251 -12.308 12.798 1.00 2.25 H new ATOM 0 HD3 LYS A 76 4.259 -12.042 11.389 1.00 2.25 H new ATOM 0 HE2 LYS A 76 5.441 -11.530 13.552 1.00 45.11 H new ATOM 0 HE3 LYS A 76 5.398 -10.162 12.457 1.00 45.11 H new ATOM 0 HZ1 LYS A 76 4.854 -9.635 14.811 1.00 54.41 H new ATOM 0 HZ2 LYS A 76 3.656 -9.160 13.706 1.00 54.41 H new ATOM 0 HZ3 LYS A 76 3.431 -10.549 14.655 1.00 54.41 H new ATOM 1137 N VAL A 77 1.006 -8.828 8.599 1.00 41.53 N ATOM 1138 CA VAL A 77 1.307 -7.527 7.934 1.00 73.00 C ATOM 1139 C VAL A 77 0.202 -6.479 8.255 1.00 41.03 C ATOM 1140 O VAL A 77 0.500 -5.319 8.544 1.00 23.22 O ATOM 1141 CB VAL A 77 1.468 -7.705 6.371 1.00 52.23 C ATOM 1142 CG1 VAL A 77 1.604 -6.351 5.628 1.00 2.44 C ATOM 1143 CG2 VAL A 77 2.678 -8.613 6.046 1.00 11.53 C ATOM 0 H VAL A 77 0.944 -9.617 7.955 1.00 41.53 H new ATOM 0 HA VAL A 77 2.256 -7.162 8.328 1.00 73.00 H new ATOM 0 HB VAL A 77 0.554 -8.180 6.015 1.00 52.23 H new ATOM 0 HG11 VAL A 77 1.712 -6.532 4.559 1.00 2.44 H new ATOM 0 HG12 VAL A 77 0.714 -5.747 5.806 1.00 2.44 H new ATOM 0 HG13 VAL A 77 2.482 -5.820 5.996 1.00 2.44 H new ATOM 0 HG21 VAL A 77 2.771 -8.722 4.965 1.00 11.53 H new ATOM 0 HG22 VAL A 77 3.588 -8.164 6.445 1.00 11.53 H new ATOM 0 HG23 VAL A 77 2.529 -9.593 6.499 1.00 11.53 H new ATOM 1153 N GLN A 78 -1.061 -6.934 8.248 1.00 50.03 N ATOM 1154 CA GLN A 78 -2.237 -6.105 8.607 1.00 33.12 C ATOM 1155 C GLN A 78 -2.213 -5.646 10.096 1.00 25.24 C ATOM 1156 O GLN A 78 -2.484 -4.474 10.397 1.00 63.31 O ATOM 1157 CB GLN A 78 -3.535 -6.898 8.267 1.00 54.15 C ATOM 1158 CG GLN A 78 -4.868 -6.202 8.640 1.00 53.12 C ATOM 1159 CD GLN A 78 -6.110 -6.914 8.076 1.00 31.34 C ATOM 1160 OE1 GLN A 78 -6.082 -7.478 6.992 1.00 24.03 O ATOM 1161 NE2 GLN A 78 -7.201 -6.910 8.815 1.00 62.45 N ATOM 0 H GLN A 78 -1.303 -7.891 7.993 1.00 50.03 H new ATOM 0 HA GLN A 78 -2.208 -5.187 8.019 1.00 33.12 H new ATOM 0 HB2 GLN A 78 -3.542 -7.105 7.197 1.00 54.15 H new ATOM 0 HB3 GLN A 78 -3.494 -7.860 8.777 1.00 54.15 H new ATOM 0 HG2 GLN A 78 -4.950 -6.150 9.726 1.00 53.12 H new ATOM 0 HG3 GLN A 78 -4.849 -5.176 8.272 1.00 53.12 H new ATOM 0 HE21 GLN A 78 -7.204 -6.434 9.717 1.00 62.45 H new ATOM 0 HE22 GLN A 78 -8.042 -7.383 8.485 1.00 62.45 H new ATOM 1170 N ARG A 79 -1.856 -6.567 11.015 1.00 71.11 N ATOM 1171 CA ARG A 79 -1.818 -6.274 12.478 1.00 2.30 C ATOM 1172 C ARG A 79 -0.661 -5.306 12.833 1.00 75.14 C ATOM 1173 O ARG A 79 -0.860 -4.320 13.548 1.00 22.41 O ATOM 1174 CB ARG A 79 -1.678 -7.585 13.306 1.00 20.43 C ATOM 1175 CG ARG A 79 -2.692 -8.690 12.942 1.00 44.00 C ATOM 1176 CD ARG A 79 -4.156 -8.213 12.970 1.00 61.43 C ATOM 1177 NE ARG A 79 -5.075 -9.218 12.417 1.00 41.45 N ATOM 1178 CZ ARG A 79 -6.383 -9.133 12.401 1.00 35.40 C ATOM 1179 NH1 ARG A 79 -7.010 -8.110 12.904 1.00 10.44 N ATOM 1180 NH2 ARG A 79 -7.063 -10.089 11.863 1.00 60.33 N ATOM 0 H ARG A 79 -1.588 -7.522 10.778 1.00 71.11 H new ATOM 0 HA ARG A 79 -2.762 -5.792 12.733 1.00 2.30 H new ATOM 0 HB2 ARG A 79 -0.670 -7.977 13.172 1.00 20.43 H new ATOM 0 HB3 ARG A 79 -1.788 -7.344 14.363 1.00 20.43 H new ATOM 0 HG2 ARG A 79 -2.461 -9.071 11.947 1.00 44.00 H new ATOM 0 HG3 ARG A 79 -2.576 -9.522 13.637 1.00 44.00 H new ATOM 0 HD2 ARG A 79 -4.443 -7.985 13.997 1.00 61.43 H new ATOM 0 HD3 ARG A 79 -4.246 -7.288 12.401 1.00 61.43 H new ATOM 0 HE ARG A 79 -4.658 -10.055 12.010 1.00 41.45 H new ATOM 0 HH11 ARG A 79 -6.483 -7.346 13.326 1.00 10.44 H new ATOM 0 HH12 ARG A 79 -8.029 -8.072 12.877 1.00 10.44 H new ATOM 0 HH21 ARG A 79 -6.582 -10.893 11.460 1.00 60.33 H new ATOM 0 HH22 ARG A 79 -8.082 -10.041 11.841 1.00 60.33 H new ATOM 1194 N ASP A 80 0.536 -5.621 12.317 1.00 42.00 N ATOM 1195 CA ASP A 80 1.767 -4.822 12.499 1.00 65.55 C ATOM 1196 C ASP A 80 1.630 -3.409 11.886 1.00 64.23 C ATOM 1197 O ASP A 80 2.196 -2.447 12.414 1.00 44.12 O ATOM 1198 CB ASP A 80 2.991 -5.564 11.874 1.00 13.21 C ATOM 1199 CG ASP A 80 3.423 -6.836 12.636 1.00 34.24 C ATOM 1200 OD1 ASP A 80 2.560 -7.550 13.189 1.00 44.14 O ATOM 1201 OD2 ASP A 80 4.640 -7.136 12.690 1.00 53.24 O ATOM 0 H ASP A 80 0.683 -6.455 11.749 1.00 42.00 H new ATOM 0 HA ASP A 80 1.927 -4.704 13.571 1.00 65.55 H new ATOM 0 HB2 ASP A 80 2.750 -5.835 10.846 1.00 13.21 H new ATOM 0 HB3 ASP A 80 3.835 -4.876 11.832 1.00 13.21 H new ATOM 1206 N LEU A 81 0.879 -3.297 10.771 1.00 41.41 N ATOM 1207 CA LEU A 81 0.629 -1.998 10.105 1.00 61.34 C ATOM 1208 C LEU A 81 -0.327 -1.116 10.938 1.00 2.42 C ATOM 1209 O LEU A 81 -0.098 0.076 11.082 1.00 1.42 O ATOM 1210 CB LEU A 81 0.076 -2.191 8.667 1.00 71.52 C ATOM 1211 CG LEU A 81 0.139 -0.935 7.727 1.00 64.03 C ATOM 1212 CD1 LEU A 81 1.559 -0.325 7.685 1.00 20.53 C ATOM 1213 CD2 LEU A 81 -0.345 -1.284 6.303 1.00 45.30 C ATOM 0 H LEU A 81 0.434 -4.091 10.311 1.00 41.41 H new ATOM 0 HA LEU A 81 1.588 -1.486 10.030 1.00 61.34 H new ATOM 0 HB2 LEU A 81 0.629 -3.002 8.193 1.00 71.52 H new ATOM 0 HB3 LEU A 81 -0.963 -2.513 8.740 1.00 71.52 H new ATOM 0 HG LEU A 81 -0.532 -0.184 8.144 1.00 64.03 H new ATOM 0 HD11 LEU A 81 1.563 0.542 7.024 1.00 20.53 H new ATOM 0 HD12 LEU A 81 1.853 -0.018 8.689 1.00 20.53 H new ATOM 0 HD13 LEU A 81 2.264 -1.069 7.312 1.00 20.53 H new ATOM 0 HD21 LEU A 81 -0.291 -0.396 5.673 1.00 45.30 H new ATOM 0 HD22 LEU A 81 0.289 -2.065 5.884 1.00 45.30 H new ATOM 0 HD23 LEU A 81 -1.375 -1.637 6.345 1.00 45.30 H new ATOM 1225 N ALA A 82 -1.398 -1.719 11.484 1.00 42.13 N ATOM 1226 CA ALA A 82 -2.346 -1.015 12.393 1.00 43.40 C ATOM 1227 C ALA A 82 -1.656 -0.586 13.716 1.00 72.21 C ATOM 1228 O ALA A 82 -1.968 0.471 14.283 1.00 74.21 O ATOM 1229 CB ALA A 82 -3.562 -1.912 12.685 1.00 51.42 C ATOM 0 H ALA A 82 -1.637 -2.696 11.316 1.00 42.13 H new ATOM 0 HA ALA A 82 -2.684 -0.109 11.891 1.00 43.40 H new ATOM 0 HB1 ALA A 82 -4.249 -1.389 13.350 1.00 51.42 H new ATOM 0 HB2 ALA A 82 -4.071 -2.150 11.751 1.00 51.42 H new ATOM 0 HB3 ALA A 82 -3.228 -2.834 13.161 1.00 51.42 H new ATOM 1235 N SER A 83 -0.707 -1.425 14.181 1.00 11.55 N ATOM 1236 CA SER A 83 0.090 -1.167 15.407 1.00 63.15 C ATOM 1237 C SER A 83 1.014 0.058 15.224 1.00 21.15 C ATOM 1238 O SER A 83 0.996 0.989 16.041 1.00 64.14 O ATOM 1239 CB SER A 83 0.933 -2.415 15.773 1.00 34.34 C ATOM 1240 OG SER A 83 1.693 -2.215 16.961 1.00 25.31 O ATOM 0 H SER A 83 -0.469 -2.303 13.719 1.00 11.55 H new ATOM 0 HA SER A 83 -0.604 -0.953 16.219 1.00 63.15 H new ATOM 0 HB2 SER A 83 0.273 -3.273 15.905 1.00 34.34 H new ATOM 0 HB3 SER A 83 1.605 -2.653 14.948 1.00 34.34 H new ATOM 0 HG SER A 83 2.209 -3.024 17.159 1.00 25.31 H new ATOM 1246 N GLN A 84 1.813 0.053 14.131 1.00 23.02 N ATOM 1247 CA GLN A 84 2.709 1.179 13.798 1.00 54.54 C ATOM 1248 C GLN A 84 1.915 2.447 13.399 1.00 11.24 C ATOM 1249 O GLN A 84 2.317 3.527 13.734 1.00 40.42 O ATOM 1250 CB GLN A 84 3.736 0.787 12.695 1.00 32.53 C ATOM 1251 CG GLN A 84 3.137 0.519 11.304 1.00 71.40 C ATOM 1252 CD GLN A 84 4.167 0.039 10.278 1.00 34.43 C ATOM 1253 OE1 GLN A 84 4.773 0.833 9.571 1.00 35.33 O ATOM 1254 NE2 GLN A 84 4.375 -1.266 10.191 1.00 65.52 N ATOM 0 H GLN A 84 1.853 -0.720 13.466 1.00 23.02 H new ATOM 0 HA GLN A 84 3.270 1.417 14.702 1.00 54.54 H new ATOM 0 HB2 GLN A 84 4.473 1.586 12.607 1.00 32.53 H new ATOM 0 HB3 GLN A 84 4.271 -0.105 13.020 1.00 32.53 H new ATOM 0 HG2 GLN A 84 2.350 -0.229 11.394 1.00 71.40 H new ATOM 0 HG3 GLN A 84 2.668 1.432 10.937 1.00 71.40 H new ATOM 0 HE21 GLN A 84 3.856 -1.906 10.792 1.00 65.52 H new ATOM 0 HE22 GLN A 84 5.054 -1.631 9.523 1.00 65.52 H new ATOM 1263 N CYS A 85 0.759 2.317 12.728 1.00 25.11 N ATOM 1264 CA CYS A 85 -0.052 3.504 12.310 1.00 73.42 C ATOM 1265 C CYS A 85 -0.625 4.300 13.521 1.00 42.14 C ATOM 1266 O CYS A 85 -1.011 5.468 13.389 1.00 64.41 O ATOM 1267 CB CYS A 85 -1.175 3.092 11.326 1.00 1.21 C ATOM 1268 SG CYS A 85 -0.580 2.637 9.678 1.00 62.43 S ATOM 0 H CYS A 85 0.357 1.419 12.459 1.00 25.11 H new ATOM 0 HA CYS A 85 0.628 4.180 11.791 1.00 73.42 H new ATOM 0 HB2 CYS A 85 -1.723 2.250 11.748 1.00 1.21 H new ATOM 0 HB3 CYS A 85 -1.881 3.917 11.231 1.00 1.21 H new ATOM 0 HG CYS A 85 -0.247 1.381 9.669 1.00 62.43 H new ATOM 1274 N ALA A 86 -0.683 3.638 14.689 1.00 40.34 N ATOM 1275 CA ALA A 86 -0.978 4.291 15.986 1.00 11.53 C ATOM 1276 C ALA A 86 0.315 4.808 16.691 1.00 12.15 C ATOM 1277 O ALA A 86 0.343 5.923 17.218 1.00 3.32 O ATOM 1278 CB ALA A 86 -1.736 3.302 16.894 1.00 62.13 C ATOM 0 H ALA A 86 -0.527 2.633 14.766 1.00 40.34 H new ATOM 0 HA ALA A 86 -1.601 5.164 15.794 1.00 11.53 H new ATOM 0 HB1 ALA A 86 -1.955 3.779 17.849 1.00 62.13 H new ATOM 0 HB2 ALA A 86 -2.669 3.008 16.413 1.00 62.13 H new ATOM 0 HB3 ALA A 86 -1.121 2.418 17.062 1.00 62.13 H new ATOM 1284 N SER A 87 1.391 3.986 16.671 1.00 4.14 N ATOM 1285 CA SER A 87 2.639 4.229 17.468 1.00 43.22 C ATOM 1286 C SER A 87 3.658 5.174 16.767 1.00 51.32 C ATOM 1287 O SER A 87 4.519 5.774 17.423 1.00 62.24 O ATOM 1288 CB SER A 87 3.323 2.873 17.774 1.00 51.11 C ATOM 1289 OG SER A 87 4.467 3.032 18.605 1.00 44.44 O ATOM 0 H SER A 87 1.429 3.137 16.108 1.00 4.14 H new ATOM 0 HA SER A 87 2.330 4.732 18.384 1.00 43.22 H new ATOM 0 HB2 SER A 87 2.610 2.208 18.261 1.00 51.11 H new ATOM 0 HB3 SER A 87 3.617 2.395 16.839 1.00 51.11 H new ATOM 0 HG SER A 87 4.870 2.156 18.777 1.00 44.44 H new ATOM 1295 N MET A 88 3.543 5.298 15.444 1.00 4.54 N ATOM 1296 CA MET A 88 4.505 6.036 14.580 1.00 2.53 C ATOM 1297 C MET A 88 4.073 7.504 14.443 1.00 34.44 C ATOM 1298 O MET A 88 4.896 8.418 14.370 1.00 60.03 O ATOM 1299 CB MET A 88 4.559 5.363 13.167 1.00 11.10 C ATOM 1300 CG MET A 88 5.921 5.351 12.493 1.00 31.33 C ATOM 1301 SD MET A 88 6.649 6.992 12.290 1.00 73.04 S ATOM 1302 CE MET A 88 8.259 6.586 11.620 1.00 22.44 C ATOM 0 H MET A 88 2.770 4.886 14.920 1.00 4.54 H new ATOM 0 HA MET A 88 5.495 6.003 15.036 1.00 2.53 H new ATOM 0 HB2 MET A 88 4.212 4.334 13.262 1.00 11.10 H new ATOM 0 HB3 MET A 88 3.855 5.878 12.513 1.00 11.10 H new ATOM 0 HG2 MET A 88 6.601 4.732 13.079 1.00 31.33 H new ATOM 0 HG3 MET A 88 5.827 4.882 11.514 1.00 31.33 H new ATOM 0 HE1 MET A 88 8.822 7.503 11.444 1.00 22.44 H new ATOM 0 HE2 MET A 88 8.800 5.959 12.328 1.00 22.44 H new ATOM 0 HE3 MET A 88 8.137 6.049 10.679 1.00 22.44 H new ATOM 1312 N LEU A 89 2.753 7.687 14.381 1.00 4.21 N ATOM 1313 CA LEU A 89 2.112 8.995 14.219 1.00 20.12 C ATOM 1314 C LEU A 89 1.704 9.562 15.589 1.00 64.25 C ATOM 1315 O LEU A 89 1.356 8.801 16.501 1.00 12.34 O ATOM 1316 CB LEU A 89 0.883 8.831 13.287 1.00 44.23 C ATOM 1317 CG LEU A 89 1.198 8.164 11.906 1.00 13.24 C ATOM 1318 CD1 LEU A 89 -0.072 7.984 11.046 1.00 22.43 C ATOM 1319 CD2 LEU A 89 2.281 8.963 11.149 1.00 44.22 C ATOM 0 H LEU A 89 2.087 6.917 14.443 1.00 4.21 H new ATOM 0 HA LEU A 89 2.809 9.702 13.769 1.00 20.12 H new ATOM 0 HB2 LEU A 89 0.130 8.233 13.801 1.00 44.23 H new ATOM 0 HB3 LEU A 89 0.444 9.813 13.110 1.00 44.23 H new ATOM 0 HG LEU A 89 1.587 7.165 12.105 1.00 13.24 H new ATOM 0 HD11 LEU A 89 0.194 7.518 10.097 1.00 22.43 H new ATOM 0 HD12 LEU A 89 -0.783 7.350 11.575 1.00 22.43 H new ATOM 0 HD13 LEU A 89 -0.525 8.957 10.858 1.00 22.43 H new ATOM 0 HD21 LEU A 89 2.485 8.483 10.192 1.00 44.22 H new ATOM 0 HD22 LEU A 89 1.929 9.980 10.977 1.00 44.22 H new ATOM 0 HD23 LEU A 89 3.194 8.991 11.743 1.00 44.22 H new ATOM 1331 N ASN A 90 1.752 10.900 15.722 1.00 44.04 N ATOM 1332 CA ASN A 90 1.393 11.624 16.971 1.00 65.23 C ATOM 1333 C ASN A 90 -0.046 11.299 17.463 1.00 22.03 C ATOM 1334 O ASN A 90 -0.333 11.363 18.660 1.00 50.22 O ATOM 1335 CB ASN A 90 1.577 13.150 16.759 1.00 63.33 C ATOM 1336 CG ASN A 90 0.853 13.655 15.513 1.00 13.50 C ATOM 1337 OD1 ASN A 90 1.404 13.652 14.427 1.00 73.45 O ATOM 1338 ND2 ASN A 90 -0.388 14.067 15.653 1.00 73.43 N ATOM 0 H ASN A 90 2.042 11.520 14.965 1.00 44.04 H new ATOM 0 HA ASN A 90 2.066 11.281 17.757 1.00 65.23 H new ATOM 0 HB2 ASN A 90 1.205 13.683 17.634 1.00 63.33 H new ATOM 0 HB3 ASN A 90 2.640 13.377 16.676 1.00 63.33 H new ATOM 0 HD21 ASN A 90 -0.912 14.394 14.841 1.00 73.43 H new ATOM 0 HD22 ASN A 90 -0.827 14.060 16.574 1.00 73.43 H new ATOM 1345 N VAL A 91 -0.939 10.956 16.518 1.00 51.24 N ATOM 1346 CA VAL A 91 -2.312 10.482 16.812 1.00 74.35 C ATOM 1347 C VAL A 91 -2.572 9.105 16.159 1.00 4.14 C ATOM 1348 O VAL A 91 -1.881 8.708 15.212 1.00 40.33 O ATOM 1349 CB VAL A 91 -3.402 11.515 16.333 1.00 31.24 C ATOM 1350 CG1 VAL A 91 -3.321 12.833 17.143 1.00 71.41 C ATOM 1351 CG2 VAL A 91 -3.279 11.790 14.820 1.00 12.51 C ATOM 0 H VAL A 91 -0.731 10.999 15.520 1.00 51.24 H new ATOM 0 HA VAL A 91 -2.390 10.383 17.895 1.00 74.35 H new ATOM 0 HB VAL A 91 -4.380 11.071 16.516 1.00 31.24 H new ATOM 0 HG11 VAL A 91 -4.085 13.525 16.789 1.00 71.41 H new ATOM 0 HG12 VAL A 91 -3.484 12.621 18.200 1.00 71.41 H new ATOM 0 HG13 VAL A 91 -2.336 13.281 17.011 1.00 71.41 H new ATOM 0 HG21 VAL A 91 -4.043 12.506 14.517 1.00 12.51 H new ATOM 0 HG22 VAL A 91 -2.292 12.199 14.604 1.00 12.51 H new ATOM 0 HG23 VAL A 91 -3.415 10.859 14.269 1.00 12.51 H new ATOM 1361 N ALA A 92 -3.583 8.389 16.676 1.00 21.43 N ATOM 1362 CA ALA A 92 -3.981 7.066 16.156 1.00 31.31 C ATOM 1363 C ALA A 92 -4.754 7.192 14.815 1.00 24.31 C ATOM 1364 O ALA A 92 -5.947 7.515 14.800 1.00 31.23 O ATOM 1365 CB ALA A 92 -4.812 6.310 17.215 1.00 62.21 C ATOM 0 H ALA A 92 -4.147 8.707 17.464 1.00 21.43 H new ATOM 0 HA ALA A 92 -3.078 6.491 15.950 1.00 31.31 H new ATOM 0 HB1 ALA A 92 -5.101 5.335 16.823 1.00 62.21 H new ATOM 0 HB2 ALA A 92 -4.216 6.176 18.117 1.00 62.21 H new ATOM 0 HB3 ALA A 92 -5.707 6.885 17.454 1.00 62.21 H new ATOM 1371 N LEU A 93 -4.044 6.971 13.690 1.00 61.22 N ATOM 1372 CA LEU A 93 -4.655 6.936 12.343 1.00 3.31 C ATOM 1373 C LEU A 93 -4.975 5.463 12.010 1.00 54.34 C ATOM 1374 O LEU A 93 -4.086 4.608 12.054 1.00 14.14 O ATOM 1375 CB LEU A 93 -3.696 7.583 11.282 1.00 73.55 C ATOM 1376 CG LEU A 93 -4.355 8.214 9.995 1.00 24.25 C ATOM 1377 CD1 LEU A 93 -3.314 9.008 9.165 1.00 45.41 C ATOM 1378 CD2 LEU A 93 -5.060 7.159 9.098 1.00 23.35 C ATOM 0 H LEU A 93 -3.036 6.812 13.688 1.00 61.22 H new ATOM 0 HA LEU A 93 -5.575 7.520 12.322 1.00 3.31 H new ATOM 0 HB2 LEU A 93 -3.119 8.362 11.781 1.00 73.55 H new ATOM 0 HB3 LEU A 93 -2.989 6.820 10.958 1.00 73.55 H new ATOM 0 HG LEU A 93 -5.123 8.899 10.354 1.00 24.25 H new ATOM 0 HD11 LEU A 93 -3.797 9.431 8.284 1.00 45.41 H new ATOM 0 HD12 LEU A 93 -2.900 9.812 9.774 1.00 45.41 H new ATOM 0 HD13 LEU A 93 -2.512 8.340 8.853 1.00 45.41 H new ATOM 0 HD21 LEU A 93 -5.494 7.653 8.229 1.00 23.35 H new ATOM 0 HD22 LEU A 93 -4.333 6.417 8.769 1.00 23.35 H new ATOM 0 HD23 LEU A 93 -5.848 6.666 9.667 1.00 23.35 H new ATOM 1390 N ARG A 94 -6.252 5.169 11.702 1.00 15.20 N ATOM 1391 CA ARG A 94 -6.704 3.807 11.328 1.00 12.24 C ATOM 1392 C ARG A 94 -7.044 3.743 9.813 1.00 25.21 C ATOM 1393 O ARG A 94 -8.140 4.161 9.413 1.00 72.53 O ATOM 1394 CB ARG A 94 -7.942 3.394 12.181 1.00 32.52 C ATOM 1395 CG ARG A 94 -7.737 3.494 13.711 1.00 53.42 C ATOM 1396 CD ARG A 94 -8.980 3.025 14.498 1.00 33.13 C ATOM 1397 NE ARG A 94 -9.269 1.598 14.251 1.00 23.20 N ATOM 1398 CZ ARG A 94 -10.435 1.081 13.925 1.00 2.43 C ATOM 1399 NH1 ARG A 94 -11.495 1.820 13.780 1.00 35.04 N ATOM 1400 NH2 ARG A 94 -10.522 -0.194 13.728 1.00 1.13 N ATOM 0 H ARG A 94 -7.000 5.862 11.704 1.00 15.20 H new ATOM 0 HA ARG A 94 -5.894 3.106 11.529 1.00 12.24 H new ATOM 0 HB2 ARG A 94 -8.786 4.024 11.900 1.00 32.52 H new ATOM 0 HB3 ARG A 94 -8.212 2.368 11.931 1.00 32.52 H new ATOM 0 HG2 ARG A 94 -6.877 2.891 14.001 1.00 53.42 H new ATOM 0 HG3 ARG A 94 -7.508 4.525 13.978 1.00 53.42 H new ATOM 0 HD2 ARG A 94 -8.819 3.186 15.564 1.00 33.13 H new ATOM 0 HD3 ARG A 94 -9.842 3.627 14.211 1.00 33.13 H new ATOM 0 HE ARG A 94 -8.488 0.949 14.342 1.00 23.20 H new ATOM 0 HH11 ARG A 94 -11.436 2.829 13.919 1.00 35.04 H new ATOM 0 HH12 ARG A 94 -12.385 1.391 13.527 1.00 35.04 H new ATOM 0 HH21 ARG A 94 -9.695 -0.783 13.826 1.00 1.13 H new ATOM 0 HH22 ARG A 94 -11.418 -0.611 13.475 1.00 1.13 H new ATOM 1414 N PRO A 95 -6.092 3.284 8.926 1.00 14.14 N ATOM 1415 CA PRO A 95 -6.391 3.030 7.497 1.00 73.20 C ATOM 1416 C PRO A 95 -7.333 1.818 7.288 1.00 3.24 C ATOM 1417 O PRO A 95 -7.438 0.928 8.141 1.00 44.11 O ATOM 1418 CB PRO A 95 -4.992 2.778 6.851 1.00 54.25 C ATOM 1419 CG PRO A 95 -4.002 3.247 7.874 1.00 74.41 C ATOM 1420 CD PRO A 95 -4.660 3.032 9.221 1.00 72.14 C ATOM 0 HA PRO A 95 -6.922 3.868 7.046 1.00 73.20 H new ATOM 0 HB2 PRO A 95 -4.849 1.723 6.618 1.00 54.25 H new ATOM 0 HB3 PRO A 95 -4.884 3.328 5.916 1.00 54.25 H new ATOM 0 HG2 PRO A 95 -3.070 2.686 7.801 1.00 74.41 H new ATOM 0 HG3 PRO A 95 -3.754 4.298 7.724 1.00 74.41 H new ATOM 0 HD2 PRO A 95 -4.495 2.022 9.596 1.00 72.14 H new ATOM 0 HD3 PRO A 95 -4.274 3.719 9.975 1.00 72.14 H new ATOM 1428 N GLU A 96 -8.000 1.797 6.134 1.00 52.02 N ATOM 1429 CA GLU A 96 -8.889 0.687 5.733 1.00 72.43 C ATOM 1430 C GLU A 96 -8.046 -0.416 5.056 1.00 5.33 C ATOM 1431 O GLU A 96 -7.556 -0.238 3.939 1.00 63.32 O ATOM 1432 CB GLU A 96 -9.997 1.220 4.787 1.00 65.01 C ATOM 1433 CG GLU A 96 -10.912 0.155 4.141 1.00 61.12 C ATOM 1434 CD GLU A 96 -11.878 -0.530 5.122 1.00 73.34 C ATOM 1435 OE1 GLU A 96 -12.994 -0.006 5.329 1.00 41.41 O ATOM 1436 OE2 GLU A 96 -11.533 -1.594 5.682 1.00 63.31 O ATOM 0 H GLU A 96 -7.944 2.546 5.444 1.00 52.02 H new ATOM 0 HA GLU A 96 -9.377 0.258 6.608 1.00 72.43 H new ATOM 0 HB2 GLU A 96 -10.622 1.914 5.348 1.00 65.01 H new ATOM 0 HB3 GLU A 96 -9.522 1.792 3.990 1.00 65.01 H new ATOM 0 HG2 GLU A 96 -11.492 0.625 3.347 1.00 61.12 H new ATOM 0 HG3 GLU A 96 -10.289 -0.606 3.672 1.00 61.12 H new ATOM 1443 N MET A 97 -7.847 -1.542 5.759 1.00 13.41 N ATOM 1444 CA MET A 97 -6.954 -2.638 5.307 1.00 10.24 C ATOM 1445 C MET A 97 -7.719 -3.976 5.195 1.00 61.34 C ATOM 1446 O MET A 97 -8.428 -4.374 6.129 1.00 0.31 O ATOM 1447 CB MET A 97 -5.749 -2.770 6.276 1.00 44.25 C ATOM 1448 CG MET A 97 -4.844 -1.527 6.331 1.00 62.22 C ATOM 1449 SD MET A 97 -3.494 -1.691 7.515 1.00 2.41 S ATOM 1450 CE MET A 97 -4.391 -1.893 9.050 1.00 20.33 C ATOM 0 H MET A 97 -8.296 -1.725 6.656 1.00 13.41 H new ATOM 0 HA MET A 97 -6.582 -2.391 4.313 1.00 10.24 H new ATOM 0 HB2 MET A 97 -6.124 -2.977 7.278 1.00 44.25 H new ATOM 0 HB3 MET A 97 -5.149 -3.629 5.977 1.00 44.25 H new ATOM 0 HG2 MET A 97 -4.430 -1.341 5.340 1.00 62.22 H new ATOM 0 HG3 MET A 97 -5.446 -0.657 6.593 1.00 62.22 H new ATOM 0 HE1 MET A 97 -3.987 -1.213 9.800 1.00 20.33 H new ATOM 0 HE2 MET A 97 -5.445 -1.669 8.887 1.00 20.33 H new ATOM 0 HE3 MET A 97 -4.288 -2.920 9.399 1.00 20.33 H new ATOM 1460 N GLN A 98 -7.559 -4.664 4.051 1.00 64.12 N ATOM 1461 CA GLN A 98 -8.253 -5.940 3.761 1.00 52.32 C ATOM 1462 C GLN A 98 -7.356 -6.877 2.916 1.00 13.21 C ATOM 1463 O GLN A 98 -6.607 -6.431 2.040 1.00 43.44 O ATOM 1464 CB GLN A 98 -9.627 -5.638 3.071 1.00 43.42 C ATOM 1465 CG GLN A 98 -10.425 -6.853 2.513 1.00 20.41 C ATOM 1466 CD GLN A 98 -10.121 -7.174 1.041 1.00 25.41 C ATOM 1467 OE1 GLN A 98 -9.807 -6.291 0.251 1.00 51.11 O ATOM 1468 NE2 GLN A 98 -10.185 -8.435 0.675 1.00 64.44 N ATOM 0 H GLN A 98 -6.945 -4.354 3.298 1.00 64.12 H new ATOM 0 HA GLN A 98 -8.455 -6.469 4.692 1.00 52.32 H new ATOM 0 HB2 GLN A 98 -10.260 -5.120 3.791 1.00 43.42 H new ATOM 0 HB3 GLN A 98 -9.447 -4.945 2.249 1.00 43.42 H new ATOM 0 HG2 GLN A 98 -10.203 -7.731 3.120 1.00 20.41 H new ATOM 0 HG3 GLN A 98 -11.492 -6.654 2.619 1.00 20.41 H new ATOM 0 HE21 GLN A 98 -10.449 -9.150 1.353 1.00 64.44 H new ATOM 0 HE22 GLN A 98 -9.971 -8.698 -0.287 1.00 64.44 H new ATOM 1477 N LEU A 99 -7.460 -8.187 3.200 1.00 13.25 N ATOM 1478 CA LEU A 99 -6.622 -9.240 2.592 1.00 10.52 C ATOM 1479 C LEU A 99 -7.276 -9.843 1.323 1.00 51.42 C ATOM 1480 O LEU A 99 -8.317 -10.510 1.393 1.00 10.22 O ATOM 1481 CB LEU A 99 -6.360 -10.326 3.660 1.00 53.31 C ATOM 1482 CG LEU A 99 -5.479 -9.871 4.864 1.00 2.24 C ATOM 1483 CD1 LEU A 99 -5.447 -10.932 5.984 1.00 60.04 C ATOM 1484 CD2 LEU A 99 -4.052 -9.505 4.395 1.00 3.42 C ATOM 0 H LEU A 99 -8.139 -8.551 3.869 1.00 13.25 H new ATOM 0 HA LEU A 99 -5.678 -8.804 2.265 1.00 10.52 H new ATOM 0 HB2 LEU A 99 -7.319 -10.676 4.043 1.00 53.31 H new ATOM 0 HB3 LEU A 99 -5.879 -11.178 3.179 1.00 53.31 H new ATOM 0 HG LEU A 99 -5.936 -8.976 5.285 1.00 2.24 H new ATOM 0 HD11 LEU A 99 -4.823 -10.577 6.804 1.00 60.04 H new ATOM 0 HD12 LEU A 99 -6.459 -11.107 6.348 1.00 60.04 H new ATOM 0 HD13 LEU A 99 -5.036 -11.862 5.592 1.00 60.04 H new ATOM 0 HD21 LEU A 99 -3.457 -9.191 5.252 1.00 3.42 H new ATOM 0 HD22 LEU A 99 -3.588 -10.375 3.930 1.00 3.42 H new ATOM 0 HD23 LEU A 99 -4.104 -8.691 3.672 1.00 3.42 H new ATOM 1496 N GLU A 100 -6.631 -9.611 0.171 1.00 54.53 N ATOM 1497 CA GLU A 100 -7.132 -10.013 -1.165 1.00 61.52 C ATOM 1498 C GLU A 100 -6.426 -11.276 -1.695 1.00 31.45 C ATOM 1499 O GLU A 100 -5.202 -11.304 -1.814 1.00 62.13 O ATOM 1500 CB GLU A 100 -6.922 -8.834 -2.164 1.00 13.10 C ATOM 1501 CG GLU A 100 -8.077 -7.819 -2.236 1.00 40.25 C ATOM 1502 CD GLU A 100 -9.305 -8.369 -2.979 1.00 51.20 C ATOM 1503 OE1 GLU A 100 -9.180 -8.656 -4.191 1.00 25.10 O ATOM 1504 OE2 GLU A 100 -10.382 -8.525 -2.365 1.00 14.54 O ATOM 0 H GLU A 100 -5.732 -9.132 0.133 1.00 54.53 H new ATOM 0 HA GLU A 100 -8.192 -10.249 -1.070 1.00 61.52 H new ATOM 0 HB2 GLU A 100 -6.011 -8.304 -1.888 1.00 13.10 H new ATOM 0 HB3 GLU A 100 -6.761 -9.247 -3.160 1.00 13.10 H new ATOM 0 HG2 GLU A 100 -8.367 -7.533 -1.225 1.00 40.25 H new ATOM 0 HG3 GLU A 100 -7.730 -6.915 -2.736 1.00 40.25 H new ATOM 1511 N GLN A 101 -7.214 -12.304 -2.047 1.00 5.21 N ATOM 1512 CA GLN A 101 -6.697 -13.510 -2.724 1.00 51.15 C ATOM 1513 C GLN A 101 -6.784 -13.337 -4.257 1.00 12.33 C ATOM 1514 O GLN A 101 -7.866 -13.420 -4.846 1.00 71.43 O ATOM 1515 CB GLN A 101 -7.428 -14.803 -2.262 1.00 63.00 C ATOM 1516 CG GLN A 101 -7.100 -15.257 -0.819 1.00 3.33 C ATOM 1517 CD GLN A 101 -7.764 -14.413 0.276 1.00 33.34 C ATOM 1518 OE1 GLN A 101 -7.090 -13.378 0.738 1.00 74.32 O flip ATOM 1519 NE2 GLN A 101 -8.877 -14.692 0.705 1.00 2.01 N flip ATOM 0 H GLN A 101 -8.219 -12.326 -1.874 1.00 5.21 H new ATOM 0 HA GLN A 101 -5.651 -13.626 -2.442 1.00 51.15 H new ATOM 0 HB2 GLN A 101 -8.503 -14.643 -2.341 1.00 63.00 H new ATOM 0 HB3 GLN A 101 -7.174 -15.611 -2.948 1.00 63.00 H new ATOM 0 HG2 GLN A 101 -7.409 -16.295 -0.698 1.00 3.33 H new ATOM 0 HG3 GLN A 101 -6.019 -15.228 -0.678 1.00 3.33 H new ATOM 0 HE21 GLN A 101 -9.380 -15.497 0.333 1.00 2.01 H new ATOM 0 HE22 GLN A 101 -9.301 -14.119 1.435 1.00 2.01 H new ATOM 1528 N VAL A 102 -5.622 -13.073 -4.877 1.00 44.12 N ATOM 1529 CA VAL A 102 -5.493 -12.749 -6.320 1.00 35.41 C ATOM 1530 C VAL A 102 -4.278 -13.497 -6.932 1.00 5.31 C ATOM 1531 O VAL A 102 -3.176 -13.454 -6.381 1.00 25.32 O ATOM 1532 CB VAL A 102 -5.346 -11.183 -6.551 1.00 64.12 C ATOM 1533 CG1 VAL A 102 -4.981 -10.847 -8.022 1.00 62.32 C ATOM 1534 CG2 VAL A 102 -6.631 -10.426 -6.116 1.00 54.43 C ATOM 0 H VAL A 102 -4.727 -13.077 -4.387 1.00 44.12 H new ATOM 0 HA VAL A 102 -6.404 -13.078 -6.820 1.00 35.41 H new ATOM 0 HB VAL A 102 -4.522 -10.844 -5.923 1.00 64.12 H new ATOM 0 HG11 VAL A 102 -4.890 -9.767 -8.137 1.00 62.32 H new ATOM 0 HG12 VAL A 102 -4.033 -11.320 -8.279 1.00 62.32 H new ATOM 0 HG13 VAL A 102 -5.763 -11.218 -8.685 1.00 62.32 H new ATOM 0 HG21 VAL A 102 -6.499 -9.358 -6.286 1.00 54.43 H new ATOM 0 HG22 VAL A 102 -7.479 -10.784 -6.699 1.00 54.43 H new ATOM 0 HG23 VAL A 102 -6.817 -10.604 -5.057 1.00 54.43 H new ATOM 1544 N GLY A 103 -4.504 -14.159 -8.093 1.00 72.55 N ATOM 1545 CA GLY A 103 -3.467 -14.933 -8.812 1.00 71.05 C ATOM 1546 C GLY A 103 -2.836 -16.090 -8.018 1.00 60.22 C ATOM 1547 O GLY A 103 -1.671 -16.444 -8.249 1.00 62.11 O ATOM 0 H GLY A 103 -5.413 -14.170 -8.556 1.00 72.55 H new ATOM 0 HA2 GLY A 103 -3.907 -15.338 -9.723 1.00 71.05 H new ATOM 0 HA3 GLY A 103 -2.674 -14.250 -9.117 1.00 71.05 H new ATOM 1551 N GLY A 104 -3.602 -16.678 -7.075 1.00 22.04 N ATOM 1552 CA GLY A 104 -3.101 -17.758 -6.202 1.00 54.31 C ATOM 1553 C GLY A 104 -2.288 -17.238 -5.002 1.00 42.15 C ATOM 1554 O GLY A 104 -1.721 -18.027 -4.239 1.00 74.02 O ATOM 0 H GLY A 104 -4.573 -16.421 -6.899 1.00 22.04 H new ATOM 0 HA2 GLY A 104 -3.945 -18.342 -5.835 1.00 54.31 H new ATOM 0 HA3 GLY A 104 -2.479 -18.433 -6.790 1.00 54.31 H new ATOM 1558 N LYS A 105 -2.228 -15.900 -4.853 1.00 22.20 N ATOM 1559 CA LYS A 105 -1.457 -15.211 -3.789 1.00 71.31 C ATOM 1560 C LYS A 105 -2.413 -14.455 -2.835 1.00 42.21 C ATOM 1561 O LYS A 105 -3.581 -14.263 -3.162 1.00 2.53 O ATOM 1562 CB LYS A 105 -0.475 -14.197 -4.444 1.00 42.33 C ATOM 1563 CG LYS A 105 0.426 -14.780 -5.556 1.00 25.21 C ATOM 1564 CD LYS A 105 1.317 -15.943 -5.073 1.00 12.13 C ATOM 1565 CE LYS A 105 2.299 -16.421 -6.155 1.00 1.22 C ATOM 1566 NZ LYS A 105 3.119 -17.567 -5.683 1.00 31.23 N ATOM 0 H LYS A 105 -2.718 -15.256 -5.474 1.00 22.20 H new ATOM 0 HA LYS A 105 -0.901 -15.953 -3.216 1.00 71.31 H new ATOM 0 HB2 LYS A 105 -1.054 -13.373 -4.862 1.00 42.33 H new ATOM 0 HB3 LYS A 105 0.162 -13.777 -3.665 1.00 42.33 H new ATOM 0 HG2 LYS A 105 -0.201 -15.129 -6.377 1.00 25.21 H new ATOM 0 HG3 LYS A 105 1.060 -13.987 -5.954 1.00 25.21 H new ATOM 0 HD2 LYS A 105 1.877 -15.626 -4.193 1.00 12.13 H new ATOM 0 HD3 LYS A 105 0.686 -16.777 -4.766 1.00 12.13 H new ATOM 0 HE2 LYS A 105 1.744 -16.713 -7.047 1.00 1.22 H new ATOM 0 HE3 LYS A 105 2.954 -15.598 -6.442 1.00 1.22 H new ATOM 0 HZ1 LYS A 105 3.770 -17.863 -6.438 1.00 31.23 H new ATOM 0 HZ2 LYS A 105 3.667 -17.281 -4.847 1.00 31.23 H new ATOM 0 HZ3 LYS A 105 2.495 -18.361 -5.433 1.00 31.23 H new ATOM 1580 N THR A 106 -1.914 -14.023 -1.656 1.00 65.14 N ATOM 1581 CA THR A 106 -2.685 -13.129 -0.740 1.00 12.31 C ATOM 1582 C THR A 106 -1.924 -11.806 -0.505 1.00 30.33 C ATOM 1583 O THR A 106 -0.748 -11.810 -0.163 1.00 12.34 O ATOM 1584 CB THR A 106 -3.027 -13.810 0.630 1.00 53.12 C ATOM 1585 OG1 THR A 106 -3.770 -15.018 0.385 1.00 21.44 O ATOM 1586 CG2 THR A 106 -3.865 -12.891 1.555 1.00 52.11 C ATOM 0 H THR A 106 -0.987 -14.273 -1.311 1.00 65.14 H new ATOM 0 HA THR A 106 -3.633 -12.918 -1.235 1.00 12.31 H new ATOM 0 HB THR A 106 -2.084 -14.021 1.133 1.00 53.12 H new ATOM 0 HG1 THR A 106 -3.985 -15.449 1.239 1.00 21.44 H new ATOM 0 HG21 THR A 106 -4.075 -13.410 2.490 1.00 52.11 H new ATOM 0 HG22 THR A 106 -3.307 -11.978 1.764 1.00 52.11 H new ATOM 0 HG23 THR A 106 -4.804 -12.637 1.062 1.00 52.11 H new ATOM 1594 N LEU A 107 -2.638 -10.679 -0.654 1.00 64.40 N ATOM 1595 CA LEU A 107 -2.066 -9.313 -0.606 1.00 11.31 C ATOM 1596 C LEU A 107 -2.803 -8.484 0.467 1.00 52.53 C ATOM 1597 O LEU A 107 -3.831 -8.918 0.989 1.00 55.22 O ATOM 1598 CB LEU A 107 -2.174 -8.590 -1.991 1.00 1.44 C ATOM 1599 CG LEU A 107 -1.325 -9.173 -3.178 1.00 53.12 C ATOM 1600 CD1 LEU A 107 -1.976 -10.428 -3.814 1.00 43.20 C ATOM 1601 CD2 LEU A 107 -1.057 -8.089 -4.246 1.00 3.22 C ATOM 0 H LEU A 107 -3.645 -10.685 -0.814 1.00 64.40 H new ATOM 0 HA LEU A 107 -1.009 -9.400 -0.355 1.00 11.31 H new ATOM 0 HB2 LEU A 107 -3.222 -8.594 -2.292 1.00 1.44 H new ATOM 0 HB3 LEU A 107 -1.886 -7.548 -1.851 1.00 1.44 H new ATOM 0 HG LEU A 107 -0.371 -9.492 -2.758 1.00 53.12 H new ATOM 0 HD11 LEU A 107 -1.349 -10.790 -4.629 1.00 43.20 H new ATOM 0 HD12 LEU A 107 -2.076 -11.208 -3.059 1.00 43.20 H new ATOM 0 HD13 LEU A 107 -2.961 -10.170 -4.202 1.00 43.20 H new ATOM 0 HD21 LEU A 107 -0.468 -8.516 -5.058 1.00 3.22 H new ATOM 0 HD22 LEU A 107 -2.006 -7.723 -4.639 1.00 3.22 H new ATOM 0 HD23 LEU A 107 -0.508 -7.262 -3.795 1.00 3.22 H new ATOM 1613 N LEU A 108 -2.285 -7.284 0.783 1.00 74.44 N ATOM 1614 CA LEU A 108 -2.970 -6.334 1.685 1.00 64.53 C ATOM 1615 C LEU A 108 -3.253 -5.013 0.942 1.00 70.33 C ATOM 1616 O LEU A 108 -2.331 -4.272 0.596 1.00 52.53 O ATOM 1617 CB LEU A 108 -2.140 -6.056 2.968 1.00 20.30 C ATOM 1618 CG LEU A 108 -2.843 -5.142 4.031 1.00 33.44 C ATOM 1619 CD1 LEU A 108 -4.104 -5.824 4.611 1.00 12.12 C ATOM 1620 CD2 LEU A 108 -1.861 -4.721 5.149 1.00 42.14 C ATOM 0 H LEU A 108 -1.391 -6.946 0.427 1.00 74.44 H new ATOM 0 HA LEU A 108 -3.912 -6.789 1.993 1.00 64.53 H new ATOM 0 HB2 LEU A 108 -1.895 -7.009 3.437 1.00 20.30 H new ATOM 0 HB3 LEU A 108 -1.198 -5.591 2.679 1.00 20.30 H new ATOM 0 HG LEU A 108 -3.167 -4.234 3.523 1.00 33.44 H new ATOM 0 HD11 LEU A 108 -4.569 -5.166 5.345 1.00 12.12 H new ATOM 0 HD12 LEU A 108 -4.811 -6.027 3.806 1.00 12.12 H new ATOM 0 HD13 LEU A 108 -3.822 -6.761 5.091 1.00 12.12 H new ATOM 0 HD21 LEU A 108 -2.379 -4.088 5.869 1.00 42.14 H new ATOM 0 HD22 LEU A 108 -1.481 -5.610 5.653 1.00 42.14 H new ATOM 0 HD23 LEU A 108 -1.029 -4.168 4.713 1.00 42.14 H new ATOM 1632 N VAL A 109 -4.537 -4.747 0.687 1.00 31.44 N ATOM 1633 CA VAL A 109 -4.996 -3.475 0.105 1.00 61.15 C ATOM 1634 C VAL A 109 -5.160 -2.426 1.231 1.00 23.32 C ATOM 1635 O VAL A 109 -5.924 -2.644 2.175 1.00 51.31 O ATOM 1636 CB VAL A 109 -6.357 -3.670 -0.661 1.00 43.12 C ATOM 1637 CG1 VAL A 109 -6.899 -2.334 -1.217 1.00 22.23 C ATOM 1638 CG2 VAL A 109 -6.210 -4.714 -1.793 1.00 14.25 C ATOM 0 H VAL A 109 -5.292 -5.406 0.877 1.00 31.44 H new ATOM 0 HA VAL A 109 -4.253 -3.125 -0.612 1.00 61.15 H new ATOM 0 HB VAL A 109 -7.083 -4.044 0.060 1.00 43.12 H new ATOM 0 HG11 VAL A 109 -7.839 -2.512 -1.739 1.00 22.23 H new ATOM 0 HG12 VAL A 109 -7.066 -1.639 -0.394 1.00 22.23 H new ATOM 0 HG13 VAL A 109 -6.174 -1.908 -1.911 1.00 22.23 H new ATOM 0 HG21 VAL A 109 -7.164 -4.830 -2.307 1.00 14.25 H new ATOM 0 HG22 VAL A 109 -5.454 -4.377 -2.503 1.00 14.25 H new ATOM 0 HG23 VAL A 109 -5.908 -5.671 -1.368 1.00 14.25 H new ATOM 1648 N VAL A 110 -4.416 -1.308 1.140 1.00 10.44 N ATOM 1649 CA VAL A 110 -4.454 -0.229 2.154 1.00 50.34 C ATOM 1650 C VAL A 110 -5.042 1.070 1.557 1.00 31.34 C ATOM 1651 O VAL A 110 -4.380 1.790 0.817 1.00 20.31 O ATOM 1652 CB VAL A 110 -3.021 0.054 2.750 1.00 63.40 C ATOM 1653 CG1 VAL A 110 -3.044 1.165 3.841 1.00 23.24 C ATOM 1654 CG2 VAL A 110 -2.387 -1.248 3.297 1.00 3.23 C ATOM 0 H VAL A 110 -3.775 -1.124 0.368 1.00 10.44 H new ATOM 0 HA VAL A 110 -5.100 -0.569 2.963 1.00 50.34 H new ATOM 0 HB VAL A 110 -2.401 0.425 1.934 1.00 63.40 H new ATOM 0 HG11 VAL A 110 -2.035 1.323 4.220 1.00 23.24 H new ATOM 0 HG12 VAL A 110 -3.419 2.093 3.408 1.00 23.24 H new ATOM 0 HG13 VAL A 110 -3.695 0.858 4.659 1.00 23.24 H new ATOM 0 HG21 VAL A 110 -1.399 -1.029 3.703 1.00 3.23 H new ATOM 0 HG22 VAL A 110 -3.020 -1.658 4.084 1.00 3.23 H new ATOM 0 HG23 VAL A 110 -2.295 -1.975 2.490 1.00 3.23 H new ATOM 1664 N TYR A 111 -6.308 1.328 1.879 1.00 63.14 N ATOM 1665 CA TYR A 111 -6.977 2.615 1.622 1.00 2.12 C ATOM 1666 C TYR A 111 -6.541 3.644 2.681 1.00 52.14 C ATOM 1667 O TYR A 111 -6.651 3.382 3.884 1.00 25.05 O ATOM 1668 CB TYR A 111 -8.515 2.403 1.660 1.00 71.31 C ATOM 1669 CG TYR A 111 -9.375 3.679 1.580 1.00 43.51 C ATOM 1670 CD1 TYR A 111 -9.506 4.393 0.392 1.00 41.24 C ATOM 1671 CD2 TYR A 111 -10.069 4.158 2.700 1.00 35.12 C ATOM 1672 CE1 TYR A 111 -10.289 5.532 0.327 1.00 51.24 C ATOM 1673 CE2 TYR A 111 -10.850 5.291 2.631 1.00 13.13 C ATOM 1674 CZ TYR A 111 -10.958 5.971 1.444 1.00 23.30 C ATOM 1675 OH TYR A 111 -11.741 7.100 1.375 1.00 15.03 O ATOM 0 H TYR A 111 -6.912 0.643 2.333 1.00 63.14 H new ATOM 0 HA TYR A 111 -6.697 2.994 0.639 1.00 2.12 H new ATOM 0 HB2 TYR A 111 -8.792 1.749 0.833 1.00 71.31 H new ATOM 0 HB3 TYR A 111 -8.767 1.876 2.581 1.00 71.31 H new ATOM 0 HD1 TYR A 111 -8.988 4.053 -0.493 1.00 41.24 H new ATOM 0 HD2 TYR A 111 -9.990 3.627 3.637 1.00 35.12 H new ATOM 0 HE1 TYR A 111 -10.374 6.076 -0.602 1.00 51.24 H new ATOM 0 HE2 TYR A 111 -11.375 5.642 3.507 1.00 13.13 H new ATOM 0 HH TYR A 111 -12.144 7.272 2.251 1.00 15.03 H new ATOM 1685 N VAL A 112 -6.039 4.802 2.228 1.00 74.21 N ATOM 1686 CA VAL A 112 -5.722 5.930 3.118 1.00 20.42 C ATOM 1687 C VAL A 112 -6.903 6.926 3.086 1.00 41.20 C ATOM 1688 O VAL A 112 -7.120 7.601 2.066 1.00 41.23 O ATOM 1689 CB VAL A 112 -4.378 6.656 2.716 1.00 12.21 C ATOM 1690 CG1 VAL A 112 -4.056 7.844 3.667 1.00 5.54 C ATOM 1691 CG2 VAL A 112 -3.201 5.652 2.681 1.00 53.21 C ATOM 0 H VAL A 112 -5.842 4.983 1.244 1.00 74.21 H new ATOM 0 HA VAL A 112 -5.574 5.543 4.126 1.00 20.42 H new ATOM 0 HB VAL A 112 -4.517 7.065 1.715 1.00 12.21 H new ATOM 0 HG11 VAL A 112 -3.124 8.316 3.356 1.00 5.54 H new ATOM 0 HG12 VAL A 112 -4.865 8.574 3.624 1.00 5.54 H new ATOM 0 HG13 VAL A 112 -3.953 7.475 4.688 1.00 5.54 H new ATOM 0 HG21 VAL A 112 -2.286 6.174 2.402 1.00 53.21 H new ATOM 0 HG22 VAL A 112 -3.077 5.203 3.666 1.00 53.21 H new ATOM 0 HG23 VAL A 112 -3.411 4.871 1.950 1.00 53.21 H new ATOM 1701 N PRO A 113 -7.730 6.990 4.178 1.00 21.54 N ATOM 1702 CA PRO A 113 -8.763 8.033 4.316 1.00 11.33 C ATOM 1703 C PRO A 113 -8.134 9.376 4.737 1.00 0.22 C ATOM 1704 O PRO A 113 -7.108 9.392 5.439 1.00 15.25 O ATOM 1705 CB PRO A 113 -9.677 7.464 5.430 1.00 61.42 C ATOM 1706 CG PRO A 113 -8.750 6.664 6.297 1.00 12.22 C ATOM 1707 CD PRO A 113 -7.731 6.057 5.352 1.00 33.31 C ATOM 0 HA PRO A 113 -9.298 8.243 3.390 1.00 11.33 H new ATOM 0 HB2 PRO A 113 -10.160 8.262 5.994 1.00 61.42 H new ATOM 0 HB3 PRO A 113 -10.470 6.842 5.015 1.00 61.42 H new ATOM 0 HG2 PRO A 113 -8.266 7.296 7.042 1.00 12.22 H new ATOM 0 HG3 PRO A 113 -9.292 5.889 6.840 1.00 12.22 H new ATOM 0 HD2 PRO A 113 -6.746 5.994 5.813 1.00 33.31 H new ATOM 0 HD3 PRO A 113 -8.011 5.045 5.058 1.00 33.31 H new ATOM 1715 N GLU A 114 -8.726 10.503 4.307 1.00 71.51 N ATOM 1716 CA GLU A 114 -8.340 11.808 4.851 1.00 44.13 C ATOM 1717 C GLU A 114 -8.950 11.944 6.261 1.00 21.34 C ATOM 1718 O GLU A 114 -10.136 11.647 6.476 1.00 33.34 O ATOM 1719 CB GLU A 114 -8.795 12.991 3.956 1.00 21.24 C ATOM 1720 CG GLU A 114 -8.415 14.378 4.537 1.00 24.41 C ATOM 1721 CD GLU A 114 -9.030 15.574 3.799 1.00 13.30 C ATOM 1722 OE1 GLU A 114 -10.267 15.583 3.604 1.00 55.53 O ATOM 1723 OE2 GLU A 114 -8.288 16.510 3.422 1.00 13.15 O ATOM 0 H GLU A 114 -9.459 10.534 3.598 1.00 71.51 H new ATOM 0 HA GLU A 114 -7.252 11.854 4.890 1.00 44.13 H new ATOM 0 HB2 GLU A 114 -8.348 12.883 2.968 1.00 21.24 H new ATOM 0 HB3 GLU A 114 -9.876 12.943 3.824 1.00 21.24 H new ATOM 0 HG2 GLU A 114 -8.724 14.416 5.582 1.00 24.41 H new ATOM 0 HG3 GLU A 114 -7.330 14.478 4.521 1.00 24.41 H new ATOM 1730 N ALA A 115 -8.133 12.397 7.207 1.00 41.51 N ATOM 1731 CA ALA A 115 -8.539 12.564 8.615 1.00 35.25 C ATOM 1732 C ALA A 115 -9.283 13.913 8.821 1.00 21.22 C ATOM 1733 O ALA A 115 -9.468 14.683 7.863 1.00 52.21 O ATOM 1734 CB ALA A 115 -7.299 12.432 9.513 1.00 62.21 C ATOM 0 H ALA A 115 -7.165 12.662 7.027 1.00 41.51 H new ATOM 0 HA ALA A 115 -9.245 11.782 8.893 1.00 35.25 H new ATOM 0 HB1 ALA A 115 -7.591 12.554 10.556 1.00 62.21 H new ATOM 0 HB2 ALA A 115 -6.852 11.447 9.374 1.00 62.21 H new ATOM 0 HB3 ALA A 115 -6.573 13.201 9.247 1.00 62.21 H new ATOM 1740 N ASP A 116 -9.737 14.189 10.065 1.00 64.22 N ATOM 1741 CA ASP A 116 -10.441 15.458 10.409 1.00 3.42 C ATOM 1742 C ASP A 116 -9.489 16.693 10.259 1.00 21.22 C ATOM 1743 O ASP A 116 -8.344 16.556 9.850 1.00 34.40 O ATOM 1744 CB ASP A 116 -11.003 15.352 11.857 1.00 10.44 C ATOM 1745 CG ASP A 116 -12.092 16.401 12.164 1.00 33.12 C ATOM 1746 OD1 ASP A 116 -13.263 16.171 11.790 1.00 15.53 O ATOM 1747 OD2 ASP A 116 -11.780 17.463 12.741 1.00 51.43 O ATOM 0 H ASP A 116 -9.631 13.551 10.854 1.00 64.22 H new ATOM 0 HA ASP A 116 -11.268 15.608 9.715 1.00 3.42 H new ATOM 0 HB2 ASP A 116 -11.416 14.354 12.008 1.00 10.44 H new ATOM 0 HB3 ASP A 116 -10.184 15.469 12.567 1.00 10.44 H new ATOM 1752 N VAL A 117 -10.007 17.906 10.458 1.00 10.12 N ATOM 1753 CA VAL A 117 -9.154 19.111 10.629 1.00 62.13 C ATOM 1754 C VAL A 117 -8.298 19.085 11.942 1.00 13.43 C ATOM 1755 O VAL A 117 -7.112 19.452 11.907 1.00 73.35 O ATOM 1756 CB VAL A 117 -10.025 20.415 10.599 1.00 51.44 C ATOM 1757 CG1 VAL A 117 -9.150 21.695 10.573 1.00 1.30 C ATOM 1758 CG2 VAL A 117 -11.026 20.405 9.413 1.00 45.30 C ATOM 0 H VAL A 117 -11.009 18.093 10.507 1.00 10.12 H new ATOM 0 HA VAL A 117 -8.458 19.106 9.790 1.00 62.13 H new ATOM 0 HB VAL A 117 -10.601 20.430 11.524 1.00 51.44 H new ATOM 0 HG11 VAL A 117 -9.793 22.575 10.553 1.00 1.30 H new ATOM 0 HG12 VAL A 117 -8.522 21.725 11.464 1.00 1.30 H new ATOM 0 HG13 VAL A 117 -8.519 21.686 9.684 1.00 1.30 H new ATOM 0 HG21 VAL A 117 -11.612 21.324 9.424 1.00 45.30 H new ATOM 0 HG22 VAL A 117 -10.477 20.336 8.474 1.00 45.30 H new ATOM 0 HG23 VAL A 117 -11.693 19.548 9.507 1.00 45.30 H new ATOM 1768 N THR A 118 -8.885 18.644 13.094 1.00 50.40 N ATOM 1769 CA THR A 118 -8.184 18.685 14.424 1.00 42.22 C ATOM 1770 C THR A 118 -7.017 17.666 14.474 1.00 13.43 C ATOM 1771 O THR A 118 -5.922 17.970 14.952 1.00 14.13 O ATOM 1772 CB THR A 118 -9.165 18.469 15.641 1.00 73.55 C ATOM 1773 OG1 THR A 118 -8.439 18.519 16.884 1.00 31.20 O ATOM 1774 CG2 THR A 118 -9.954 17.148 15.568 1.00 23.30 C ATOM 0 H THR A 118 -9.829 18.260 13.134 1.00 50.40 H new ATOM 0 HA THR A 118 -7.774 19.690 14.523 1.00 42.22 H new ATOM 0 HB THR A 118 -9.891 19.281 15.589 1.00 73.55 H new ATOM 0 HG1 THR A 118 -9.059 18.385 17.631 1.00 31.20 H new ATOM 0 HG21 THR A 118 -10.608 17.066 16.436 1.00 23.30 H new ATOM 0 HG22 THR A 118 -10.555 17.133 14.659 1.00 23.30 H new ATOM 0 HG23 THR A 118 -9.258 16.309 15.557 1.00 23.30 H new ATOM 1782 N HIS A 119 -7.298 16.467 13.975 1.00 11.30 N ATOM 1783 CA HIS A 119 -6.301 15.463 13.585 1.00 33.13 C ATOM 1784 C HIS A 119 -6.582 15.309 12.095 1.00 12.14 C ATOM 1785 O HIS A 119 -7.444 14.511 11.756 1.00 22.22 O ATOM 1786 CB HIS A 119 -6.495 14.123 14.362 1.00 4.30 C ATOM 1787 CG HIS A 119 -6.849 14.302 15.820 1.00 31.03 C ATOM 1788 ND1 HIS A 119 -5.988 14.907 16.700 1.00 14.15 N ATOM 1789 CD2 HIS A 119 -7.995 13.979 16.484 1.00 30.31 C ATOM 1790 CE1 HIS A 119 -6.617 14.946 17.859 1.00 1.13 C ATOM 1791 NE2 HIS A 119 -7.833 14.396 17.778 1.00 22.45 N ATOM 0 H HIS A 119 -8.256 16.152 13.824 1.00 11.30 H new ATOM 0 HA HIS A 119 -5.273 15.749 13.808 1.00 33.13 H new ATOM 0 HB2 HIS A 119 -7.281 13.544 13.877 1.00 4.30 H new ATOM 0 HB3 HIS A 119 -5.578 13.538 14.291 1.00 4.30 H new ATOM 0 HD2 HIS A 119 -8.863 13.489 16.069 1.00 30.31 H new ATOM 0 HE1 HIS A 119 -6.201 15.370 18.761 1.00 1.13 H new ATOM 0 HE2 HIS A 119 -8.510 14.305 18.535 1.00 22.45 H new ATOM 1799 N LYS A 120 -5.966 16.066 11.140 1.00 4.35 N ATOM 1800 CA LYS A 120 -4.551 16.472 10.913 1.00 41.32 C ATOM 1801 C LYS A 120 -3.682 17.146 12.045 1.00 74.33 C ATOM 1802 O LYS A 120 -3.741 16.793 13.203 1.00 33.53 O ATOM 1803 CB LYS A 120 -4.514 17.248 9.567 1.00 3.02 C ATOM 1804 CG LYS A 120 -5.067 16.465 8.358 1.00 44.31 C ATOM 1805 CD LYS A 120 -5.084 17.306 7.061 1.00 41.11 C ATOM 1806 CE LYS A 120 -5.815 16.594 5.917 1.00 52.53 C ATOM 1807 NZ LYS A 120 -5.851 17.403 4.668 1.00 74.43 N ATOM 0 H LYS A 120 -6.545 16.464 10.400 1.00 4.35 H new ATOM 0 HA LYS A 120 -4.008 15.527 10.908 1.00 41.32 H new ATOM 0 HB2 LYS A 120 -5.085 18.170 9.678 1.00 3.02 H new ATOM 0 HB3 LYS A 120 -3.484 17.535 9.357 1.00 3.02 H new ATOM 0 HG2 LYS A 120 -4.461 15.573 8.200 1.00 44.31 H new ATOM 0 HG3 LYS A 120 -6.079 16.127 8.581 1.00 44.31 H new ATOM 0 HD2 LYS A 120 -5.566 18.264 7.258 1.00 41.11 H new ATOM 0 HD3 LYS A 120 -4.060 17.522 6.757 1.00 41.11 H new ATOM 0 HE2 LYS A 120 -5.325 15.642 5.715 1.00 52.53 H new ATOM 0 HE3 LYS A 120 -6.835 16.367 6.228 1.00 52.53 H new ATOM 0 HZ1 LYS A 120 -6.712 17.175 4.131 1.00 74.43 H new ATOM 0 HZ2 LYS A 120 -5.852 18.415 4.909 1.00 74.43 H new ATOM 0 HZ3 LYS A 120 -5.015 17.186 4.089 1.00 74.43 H new ATOM 1821 N PRO A 121 -2.776 18.109 11.693 1.00 53.33 N ATOM 1822 CA PRO A 121 -1.336 17.990 11.935 1.00 43.21 C ATOM 1823 C PRO A 121 -0.816 16.601 12.406 1.00 2.42 C ATOM 1824 O PRO A 121 -0.438 16.394 13.560 1.00 42.25 O ATOM 1825 CB PRO A 121 -1.092 19.178 12.883 1.00 45.44 C ATOM 1826 CG PRO A 121 -2.073 20.247 12.384 1.00 75.30 C ATOM 1827 CD PRO A 121 -3.057 19.549 11.423 1.00 71.21 C ATOM 0 HA PRO A 121 -0.742 18.038 11.022 1.00 43.21 H new ATOM 0 HB2 PRO A 121 -1.287 18.909 13.921 1.00 45.44 H new ATOM 0 HB3 PRO A 121 -0.060 19.526 12.832 1.00 45.44 H new ATOM 0 HG2 PRO A 121 -2.607 20.700 13.220 1.00 75.30 H new ATOM 0 HG3 PRO A 121 -1.541 21.050 11.874 1.00 75.30 H new ATOM 0 HD2 PRO A 121 -4.093 19.811 11.637 1.00 71.21 H new ATOM 0 HD3 PRO A 121 -2.870 19.814 10.382 1.00 71.21 H new ATOM 1835 N ILE A 122 -0.853 15.644 11.447 1.00 32.10 N ATOM 1836 CA ILE A 122 -0.343 14.265 11.611 1.00 73.11 C ATOM 1837 C ILE A 122 1.026 14.136 10.912 1.00 3.14 C ATOM 1838 O ILE A 122 1.183 14.537 9.750 1.00 41.44 O ATOM 1839 CB ILE A 122 -1.340 13.198 11.013 1.00 71.11 C ATOM 1840 CG1 ILE A 122 -2.752 13.389 11.639 1.00 73.45 C ATOM 1841 CG2 ILE A 122 -0.826 11.749 11.243 1.00 40.52 C ATOM 1842 CD1 ILE A 122 -3.836 12.467 11.109 1.00 34.24 C ATOM 0 H ILE A 122 -1.246 15.814 10.521 1.00 32.10 H new ATOM 0 HA ILE A 122 -0.242 14.070 12.679 1.00 73.11 H new ATOM 0 HB ILE A 122 -1.404 13.352 9.936 1.00 71.11 H new ATOM 0 HG12 ILE A 122 -2.674 13.246 12.717 1.00 73.45 H new ATOM 0 HG13 ILE A 122 -3.065 14.420 11.476 1.00 73.45 H new ATOM 0 HG21 ILE A 122 -1.536 11.039 10.819 1.00 40.52 H new ATOM 0 HG22 ILE A 122 0.143 11.626 10.759 1.00 40.52 H new ATOM 0 HG23 ILE A 122 -0.724 11.565 12.312 1.00 40.52 H new ATOM 0 HD11 ILE A 122 -4.778 12.685 11.613 1.00 34.24 H new ATOM 0 HD12 ILE A 122 -3.953 12.622 10.037 1.00 34.24 H new ATOM 0 HD13 ILE A 122 -3.556 11.430 11.297 1.00 34.24 H new ATOM 1854 N TYR A 123 1.998 13.561 11.631 1.00 45.35 N ATOM 1855 CA TYR A 123 3.398 13.458 11.189 1.00 22.44 C ATOM 1856 C TYR A 123 4.110 12.282 11.884 1.00 44.34 C ATOM 1857 O TYR A 123 3.644 11.766 12.913 1.00 54.42 O ATOM 1858 CB TYR A 123 4.162 14.798 11.448 1.00 11.31 C ATOM 1859 CG TYR A 123 4.038 15.356 12.886 1.00 65.34 C ATOM 1860 CD1 TYR A 123 4.883 14.925 13.916 1.00 72.43 C ATOM 1861 CD2 TYR A 123 3.072 16.320 13.207 1.00 25.14 C ATOM 1862 CE1 TYR A 123 4.767 15.427 15.202 1.00 24.43 C ATOM 1863 CE2 TYR A 123 2.955 16.824 14.491 1.00 35.41 C ATOM 1864 CZ TYR A 123 3.803 16.377 15.486 1.00 4.22 C ATOM 1865 OH TYR A 123 3.678 16.876 16.770 1.00 53.33 O ATOM 0 H TYR A 123 1.834 13.148 12.549 1.00 45.35 H new ATOM 0 HA TYR A 123 3.399 13.267 10.116 1.00 22.44 H new ATOM 0 HB2 TYR A 123 5.218 14.646 11.224 1.00 11.31 H new ATOM 0 HB3 TYR A 123 3.793 15.550 10.750 1.00 11.31 H new ATOM 0 HD1 TYR A 123 5.641 14.186 13.703 1.00 72.43 H new ATOM 0 HD2 TYR A 123 2.405 16.677 12.436 1.00 25.14 H new ATOM 0 HE1 TYR A 123 5.428 15.077 15.981 1.00 24.43 H new ATOM 0 HE2 TYR A 123 2.202 17.565 14.715 1.00 35.41 H new ATOM 0 HH TYR A 123 2.953 17.535 16.796 1.00 53.33 H new ATOM 1875 N LYS A 124 5.245 11.878 11.299 1.00 11.43 N ATOM 1876 CA LYS A 124 6.145 10.857 11.868 1.00 23.22 C ATOM 1877 C LYS A 124 6.865 11.406 13.131 1.00 14.55 C ATOM 1878 O LYS A 124 7.231 12.586 13.179 1.00 55.24 O ATOM 1879 CB LYS A 124 7.190 10.445 10.787 1.00 24.23 C ATOM 1880 CG LYS A 124 6.570 9.844 9.495 1.00 34.12 C ATOM 1881 CD LYS A 124 7.593 9.677 8.332 1.00 74.22 C ATOM 1882 CE LYS A 124 8.768 8.740 8.679 1.00 23.35 C ATOM 1883 NZ LYS A 124 9.694 8.543 7.533 1.00 72.01 N ATOM 0 H LYS A 124 5.571 12.253 10.408 1.00 11.43 H new ATOM 0 HA LYS A 124 5.561 9.986 12.165 1.00 23.22 H new ATOM 0 HB2 LYS A 124 7.782 11.320 10.519 1.00 24.23 H new ATOM 0 HB3 LYS A 124 7.875 9.717 11.220 1.00 24.23 H new ATOM 0 HG2 LYS A 124 6.136 8.872 9.728 1.00 34.12 H new ATOM 0 HG3 LYS A 124 5.754 10.485 9.161 1.00 34.12 H new ATOM 0 HD2 LYS A 124 7.075 9.288 7.455 1.00 74.22 H new ATOM 0 HD3 LYS A 124 7.987 10.657 8.061 1.00 74.22 H new ATOM 0 HE2 LYS A 124 9.321 9.153 9.523 1.00 23.35 H new ATOM 0 HE3 LYS A 124 8.377 7.773 8.997 1.00 23.35 H new ATOM 0 HZ1 LYS A 124 10.677 8.574 7.872 1.00 72.01 H new ATOM 0 HZ2 LYS A 124 9.509 7.620 7.092 1.00 72.01 H new ATOM 0 HZ3 LYS A 124 9.545 9.297 6.833 1.00 72.01 H new