USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 CYS SG : rot -166:sc= -1.13 USER MOD Set 1.2: A 35 SER OG : rot -37:sc= -0.757 USER MOD Set 1.3: A 83 THR OG1 : rot -71:sc= 1.11 USER MOD Set 1.4: A 186 APR O3D : rot 180:sc= 0.19 USER MOD Set 2.1: A 93 TYR OH : rot 75:sc= -0.634 USER MOD Set 2.2: A 131 ASN :FLIP amide:sc= -0.974 F(o=-3.7!,f=-1.6) USER MOD Set 3.1: A 103 MET CE :methyl 145:sc= 0 (180deg=-1.3) USER MOD Set 3.2: A 117 MET CE :methyl 167:sc= -0.907 (180deg=-1.19) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 159:sc= 0.493 (180deg=0) USER MOD Set 4.2: A 92 THR OG1 : rot -150:sc= 0.46 USER MOD Set 4.3: A 95 ASN : amide:sc= -1.25 K(o=-0.29,f=-3.5!) USER MOD Set 5.1: A 79 TYR OH : rot -94:sc= 2.29 USER MOD Set 5.2: A 106 HIS : no HE2:sc= 1.16 K(o=5.6,f=-4.3!) USER MOD Set 5.3: A 107 CYS SG : rot 65:sc= 2.12 USER MOD Set 6.1: A 77 TYR OH : rot 166:sc=-0.00544 USER MOD Set 6.2: A 110 ASN :FLIP amide:sc= 0.86 F(o=-0.63!,f=0.86) USER MOD Set 7.1: A 26 LYS NZ :NH3+ 180:sc= 0.758 (180deg=-0.304) USER MOD Set 7.2: A 27 THR OG1 : rot -147:sc= 0.333 USER MOD Set 8.1: A 24 CYS SG : rot 84:sc= 1.23 USER MOD Set 8.2: A 116 SER OG : rot 166:sc= 0.27 USER MOD Set 9.1: A 16 TYR OH : rot -130:sc= 1.45 USER MOD Set 9.2: A 133 SER OG : rot 163:sc= 1.06 USER MOD Set10.1: A 12 SER OG : rot 33:sc= 1.41 USER MOD Set10.2: A 15 THR OG1 : rot -29:sc= 0.655 USER MOD Single : A 3 SER OG : rot -24:sc= 0.248 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= 0.626 F(o=-0.066,f=0.63) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 90:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.38 K(o=-0.36,f=-3.3!) USER MOD Single : A 38 CYS SG : rot 36:sc= 1.21 USER MOD Single : A 40 MET CE :methyl -178:sc=-0.00308 (180deg=-0.0122) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0779) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0777) USER MOD Single : A 56 GLN : amide:sc= 0.384 X(o=0.38,f=-0.058) USER MOD Single : A 60 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.59!) USER MOD Single : A 61 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.17) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.012 (180deg=-0.201) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -32:sc= 0.141 USER MOD Single : A 89 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=-0.021) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00131 K(o=-0.0013,f=-0.77) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= 0.652 (180deg=0.338) USER MOD Single : A 99 SER OG : rot 78:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= 0.862 (180deg=0.289) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 122 CYS SG : rot 180:sc= -2.32 USER MOD Single : A 128 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.12) USER MOD Single : A 135 MET CE :methyl -179:sc= -1.89! (180deg=-1.91!) USER MOD Single : A 143 THR OG1 : rot -60:sc= 1.27 USER MOD Single : A 146 LYS NZ :NH3+ -124:sc= 0.707 (180deg=-0.415) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 186 APR O1D : rot 47:sc= 0.909 USER MOD Single : A 186 APR O2' : rot -89:sc= 0.359 USER MOD Single : A 186 APR O2D : rot -139:sc= 0.242 USER MOD Single : A 186 APR O3' : rot 180:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -30.271 21.858 -12.946 1.00 2.52 N ATOM 2 CA SER A 3 -30.143 20.431 -12.930 1.00 13.05 C ATOM 3 C SER A 3 -28.829 20.006 -12.259 1.00 73.44 C ATOM 4 O SER A 3 -27.733 20.437 -12.666 1.00 64.21 O ATOM 5 CB SER A 3 -30.250 19.920 -14.361 1.00 55.42 C ATOM 6 OG SER A 3 -29.362 20.637 -15.224 1.00 71.41 O ATOM 0 HA SER A 3 -30.945 19.989 -12.339 1.00 13.05 H new ATOM 0 HB2 SER A 3 -30.013 18.856 -14.391 1.00 55.42 H new ATOM 0 HB3 SER A 3 -31.275 20.029 -14.715 1.00 55.42 H new ATOM 0 HG SER A 3 -29.168 21.516 -14.836 1.00 71.41 H new ATOM 12 N SER A 4 -28.936 19.208 -11.226 1.00 43.31 N ATOM 13 CA SER A 4 -27.781 18.761 -10.506 1.00 74.25 C ATOM 14 C SER A 4 -28.003 17.336 -10.000 1.00 72.22 C ATOM 15 O SER A 4 -29.067 17.014 -9.459 1.00 63.24 O ATOM 16 CB SER A 4 -27.501 19.724 -9.334 1.00 31.34 C ATOM 17 OG SER A 4 -26.311 19.382 -8.639 1.00 43.34 O ATOM 0 H SER A 4 -29.823 18.855 -10.866 1.00 43.31 H new ATOM 0 HA SER A 4 -26.915 18.757 -11.168 1.00 74.25 H new ATOM 0 HB2 SER A 4 -27.420 20.743 -9.713 1.00 31.34 H new ATOM 0 HB3 SER A 4 -28.343 19.708 -8.642 1.00 31.34 H new ATOM 0 HG SER A 4 -26.167 20.016 -7.905 1.00 43.34 H new ATOM 23 N LEU A 5 -27.025 16.487 -10.209 1.00 71.12 N ATOM 24 CA LEU A 5 -27.079 15.126 -9.734 1.00 11.41 C ATOM 25 C LEU A 5 -25.996 14.924 -8.705 1.00 22.05 C ATOM 26 O LEU A 5 -24.818 14.798 -9.038 1.00 61.22 O ATOM 27 CB LEU A 5 -26.954 14.069 -10.868 1.00 44.53 C ATOM 28 CG LEU A 5 -28.079 14.007 -11.936 1.00 25.44 C ATOM 29 CD1 LEU A 5 -28.086 15.228 -12.851 1.00 64.33 C ATOM 30 CD2 LEU A 5 -27.977 12.725 -12.748 1.00 31.13 C ATOM 0 H LEU A 5 -26.170 16.721 -10.713 1.00 71.12 H new ATOM 0 HA LEU A 5 -28.063 14.973 -9.292 1.00 11.41 H new ATOM 0 HB2 LEU A 5 -26.011 14.246 -11.386 1.00 44.53 H new ATOM 0 HB3 LEU A 5 -26.882 13.086 -10.402 1.00 44.53 H new ATOM 0 HG LEU A 5 -29.028 14.010 -11.399 1.00 25.44 H new ATOM 0 HD11 LEU A 5 -28.892 15.133 -13.579 1.00 64.33 H new ATOM 0 HD12 LEU A 5 -28.239 16.128 -12.256 1.00 64.33 H new ATOM 0 HD13 LEU A 5 -27.132 15.297 -13.374 1.00 64.33 H new ATOM 0 HD21 LEU A 5 -28.774 12.701 -13.491 1.00 31.13 H new ATOM 0 HD22 LEU A 5 -27.011 12.689 -13.251 1.00 31.13 H new ATOM 0 HD23 LEU A 5 -28.073 11.865 -12.085 1.00 31.13 H new ATOM 38 N ASN A 6 -26.381 14.951 -7.471 1.00 31.42 N ATOM 39 CA ASN A 6 -25.458 14.776 -6.380 1.00 1.20 C ATOM 40 C ASN A 6 -25.536 13.371 -5.819 1.00 13.34 C ATOM 41 O ASN A 6 -26.626 12.850 -5.545 1.00 24.21 O ATOM 42 CB ASN A 6 -25.626 15.872 -5.300 1.00 41.32 C ATOM 43 CG ASN A 6 -27.057 16.085 -4.797 1.00 23.44 C ATOM 44 OD1 ASN A 6 -27.351 17.298 -4.410 1.00 13.32 O flip ATOM 45 ND2 ASN A 6 -27.887 15.173 -4.763 1.00 63.21 N flip ATOM 0 H ASN A 6 -27.348 15.095 -7.182 1.00 31.42 H new ATOM 0 HA ASN A 6 -24.448 14.899 -6.771 1.00 1.20 H new ATOM 0 HB2 ASN A 6 -24.994 15.619 -4.449 1.00 41.32 H new ATOM 0 HB3 ASN A 6 -25.256 16.815 -5.703 1.00 41.32 H new ATOM 0 HD21 ASN A 6 -27.628 14.236 -5.072 1.00 63.21 H new ATOM 0 HD22 ASN A 6 -28.832 15.356 -4.426 1.00 63.21 H new ATOM 51 N GLU A 7 -24.397 12.733 -5.700 1.00 2.22 N ATOM 52 CA GLU A 7 -24.342 11.365 -5.250 1.00 5.05 C ATOM 53 C GLU A 7 -23.263 11.165 -4.199 1.00 53.11 C ATOM 54 O GLU A 7 -22.098 11.539 -4.401 1.00 12.02 O ATOM 55 CB GLU A 7 -24.088 10.420 -6.436 1.00 13.52 C ATOM 56 CG GLU A 7 -25.162 10.470 -7.508 1.00 72.14 C ATOM 57 CD GLU A 7 -24.876 9.560 -8.669 1.00 65.11 C ATOM 58 OE1 GLU A 7 -25.277 8.388 -8.624 1.00 2.20 O ATOM 59 OE2 GLU A 7 -24.251 10.007 -9.652 1.00 22.35 O ATOM 0 H GLU A 7 -23.488 13.145 -5.911 1.00 2.22 H new ATOM 0 HA GLU A 7 -25.306 11.131 -4.799 1.00 5.05 H new ATOM 0 HB2 GLU A 7 -23.128 10.670 -6.887 1.00 13.52 H new ATOM 0 HB3 GLU A 7 -24.009 9.399 -6.063 1.00 13.52 H new ATOM 0 HG2 GLU A 7 -26.121 10.197 -7.067 1.00 72.14 H new ATOM 0 HG3 GLU A 7 -25.258 11.493 -7.871 1.00 72.14 H new ATOM 66 N ASP A 8 -23.656 10.593 -3.089 1.00 15.31 N ATOM 67 CA ASP A 8 -22.728 10.229 -2.029 1.00 62.32 C ATOM 68 C ASP A 8 -22.221 8.828 -2.293 1.00 43.55 C ATOM 69 O ASP A 8 -23.027 7.936 -2.577 1.00 21.40 O ATOM 70 CB ASP A 8 -23.409 10.238 -0.638 1.00 2.25 C ATOM 71 CG ASP A 8 -23.807 11.605 -0.128 1.00 71.42 C ATOM 72 OD1 ASP A 8 -24.936 12.068 -0.419 1.00 43.40 O ATOM 73 OD2 ASP A 8 -23.016 12.218 0.604 1.00 74.44 O ATOM 0 H ASP A 8 -24.629 10.363 -2.887 1.00 15.31 H new ATOM 0 HA ASP A 8 -21.919 10.959 -2.024 1.00 62.32 H new ATOM 0 HB2 ASP A 8 -24.299 9.610 -0.682 1.00 2.25 H new ATOM 0 HB3 ASP A 8 -22.732 9.781 0.084 1.00 2.25 H new ATOM 78 N PRO A 9 -20.900 8.604 -2.254 1.00 22.41 N ATOM 79 CA PRO A 9 -20.340 7.261 -2.380 1.00 60.03 C ATOM 80 C PRO A 9 -20.798 6.406 -1.207 1.00 72.21 C ATOM 81 O PRO A 9 -20.744 6.850 -0.045 1.00 74.04 O ATOM 82 CB PRO A 9 -18.823 7.477 -2.312 1.00 70.03 C ATOM 83 CG PRO A 9 -18.623 8.924 -2.602 1.00 43.23 C ATOM 84 CD PRO A 9 -19.856 9.623 -2.112 1.00 61.11 C ATOM 0 HA PRO A 9 -20.649 6.755 -3.295 1.00 60.03 H new ATOM 0 HB2 PRO A 9 -18.431 7.214 -1.329 1.00 70.03 H new ATOM 0 HB3 PRO A 9 -18.303 6.854 -3.040 1.00 70.03 H new ATOM 0 HG2 PRO A 9 -17.734 9.303 -2.097 1.00 43.23 H new ATOM 0 HG3 PRO A 9 -18.479 9.091 -3.669 1.00 43.23 H new ATOM 0 HD2 PRO A 9 -19.750 9.948 -1.077 1.00 61.11 H new ATOM 0 HD3 PRO A 9 -20.077 10.511 -2.704 1.00 61.11 H new ATOM 92 N GLU A 10 -21.236 5.211 -1.484 1.00 4.55 N ATOM 93 CA GLU A 10 -21.787 4.352 -0.472 1.00 53.53 C ATOM 94 C GLU A 10 -21.121 3.004 -0.505 1.00 61.10 C ATOM 95 O GLU A 10 -21.376 2.180 -1.388 1.00 53.44 O ATOM 96 CB GLU A 10 -23.310 4.221 -0.616 1.00 74.23 C ATOM 97 CG GLU A 10 -24.055 5.539 -0.458 1.00 54.22 C ATOM 98 CD GLU A 10 -25.546 5.394 -0.575 1.00 40.22 C ATOM 99 OE1 GLU A 10 -26.209 5.164 0.452 1.00 25.12 O ATOM 100 OE2 GLU A 10 -26.084 5.526 -1.696 1.00 34.11 O ATOM 0 H GLU A 10 -21.222 4.803 -2.419 1.00 4.55 H new ATOM 0 HA GLU A 10 -21.591 4.807 0.499 1.00 53.53 H new ATOM 0 HB2 GLU A 10 -23.539 3.800 -1.595 1.00 74.23 H new ATOM 0 HB3 GLU A 10 -23.677 3.515 0.129 1.00 74.23 H new ATOM 0 HG2 GLU A 10 -23.814 5.971 0.513 1.00 54.22 H new ATOM 0 HG3 GLU A 10 -23.704 6.240 -1.215 1.00 54.22 H new ATOM 107 N GLY A 11 -20.238 2.808 0.423 1.00 1.12 N ATOM 108 CA GLY A 11 -19.532 1.572 0.521 1.00 3.11 C ATOM 109 C GLY A 11 -18.246 1.642 -0.232 1.00 54.22 C ATOM 110 O GLY A 11 -17.751 2.736 -0.489 1.00 52.15 O ATOM 0 H GLY A 11 -19.988 3.498 1.131 1.00 1.12 H new ATOM 0 HA2 GLY A 11 -19.335 1.341 1.568 1.00 3.11 H new ATOM 0 HA3 GLY A 11 -20.147 0.763 0.127 1.00 3.11 H new ATOM 114 N SER A 12 -17.715 0.487 -0.605 1.00 35.32 N ATOM 115 CA SER A 12 -16.468 0.386 -1.341 1.00 72.04 C ATOM 116 C SER A 12 -15.262 0.817 -0.484 1.00 33.23 C ATOM 117 O SER A 12 -14.908 1.996 -0.420 1.00 30.05 O ATOM 118 CB SER A 12 -16.543 1.165 -2.707 1.00 20.13 C ATOM 119 OG SER A 12 -15.338 1.075 -3.486 1.00 45.22 O ATOM 0 H SER A 12 -18.145 -0.416 -0.402 1.00 35.32 H new ATOM 0 HA SER A 12 -16.313 -0.665 -1.584 1.00 72.04 H new ATOM 0 HB2 SER A 12 -17.375 0.775 -3.293 1.00 20.13 H new ATOM 0 HB3 SER A 12 -16.759 2.214 -2.506 1.00 20.13 H new ATOM 0 HG SER A 12 -14.914 0.205 -3.333 1.00 45.22 H new ATOM 125 N ARG A 13 -14.685 -0.143 0.241 1.00 42.10 N ATOM 126 CA ARG A 13 -13.430 0.106 0.937 1.00 41.32 C ATOM 127 C ARG A 13 -12.345 0.082 -0.086 1.00 42.34 C ATOM 128 O ARG A 13 -11.430 0.902 -0.074 1.00 53.10 O ATOM 129 CB ARG A 13 -13.132 -0.920 2.060 1.00 55.20 C ATOM 130 CG ARG A 13 -13.898 -0.711 3.367 1.00 41.14 C ATOM 131 CD ARG A 13 -15.399 -0.884 3.236 1.00 73.33 C ATOM 132 NE ARG A 13 -15.791 -2.263 2.931 1.00 22.21 N ATOM 133 CZ ARG A 13 -16.997 -2.624 2.474 1.00 13.51 C ATOM 134 NH1 ARG A 13 -17.933 -1.703 2.266 1.00 33.45 N ATOM 135 NH2 ARG A 13 -17.273 -3.901 2.263 1.00 65.13 N ATOM 0 H ARG A 13 -15.062 -1.084 0.358 1.00 42.10 H new ATOM 0 HA ARG A 13 -13.496 1.072 1.437 1.00 41.32 H new ATOM 0 HB2 ARG A 13 -13.356 -1.918 1.684 1.00 55.20 H new ATOM 0 HB3 ARG A 13 -12.064 -0.894 2.277 1.00 55.20 H new ATOM 0 HG2 ARG A 13 -13.525 -1.414 4.111 1.00 41.14 H new ATOM 0 HG3 ARG A 13 -13.689 0.291 3.742 1.00 41.14 H new ATOM 0 HD2 ARG A 13 -15.878 -0.573 4.164 1.00 73.33 H new ATOM 0 HD3 ARG A 13 -15.768 -0.225 2.450 1.00 73.33 H new ATOM 0 HE ARG A 13 -15.098 -2.997 3.077 1.00 22.21 H new ATOM 0 HH11 ARG A 13 -17.733 -0.721 2.454 1.00 33.45 H new ATOM 0 HH12 ARG A 13 -18.851 -1.979 1.918 1.00 33.45 H new ATOM 0 HH21 ARG A 13 -16.566 -4.613 2.448 1.00 65.13 H new ATOM 0 HH22 ARG A 13 -18.192 -4.173 1.915 1.00 65.13 H new ATOM 147 N ILE A 14 -12.469 -0.865 -0.984 1.00 62.54 N ATOM 148 CA ILE A 14 -11.599 -0.956 -2.119 1.00 13.40 C ATOM 149 C ILE A 14 -12.346 -0.451 -3.345 1.00 32.04 C ATOM 150 O ILE A 14 -13.432 -0.941 -3.672 1.00 2.53 O ATOM 151 CB ILE A 14 -11.068 -2.416 -2.418 1.00 41.43 C ATOM 152 CG1 ILE A 14 -10.186 -2.988 -1.307 1.00 24.23 C ATOM 153 CG2 ILE A 14 -10.330 -2.480 -3.715 1.00 41.43 C ATOM 154 CD1 ILE A 14 -10.934 -3.506 -0.140 1.00 34.04 C ATOM 0 H ILE A 14 -13.181 -1.595 -0.943 1.00 62.54 H new ATOM 0 HA ILE A 14 -10.723 -0.350 -1.886 1.00 13.40 H new ATOM 0 HB ILE A 14 -11.965 -3.033 -2.475 1.00 41.43 H new ATOM 0 HG12 ILE A 14 -9.578 -3.793 -1.720 1.00 24.23 H new ATOM 0 HG13 ILE A 14 -9.500 -2.212 -0.968 1.00 24.23 H new ATOM 0 HG21 ILE A 14 -9.981 -3.498 -3.885 1.00 41.43 H new ATOM 0 HG22 ILE A 14 -10.994 -2.184 -4.527 1.00 41.43 H new ATOM 0 HG23 ILE A 14 -9.475 -1.804 -3.681 1.00 41.43 H new ATOM 0 HD11 ILE A 14 -10.233 -3.892 0.599 1.00 34.04 H new ATOM 0 HD12 ILE A 14 -11.521 -2.701 0.302 1.00 34.04 H new ATOM 0 HD13 ILE A 14 -11.600 -4.307 -0.461 1.00 34.04 H new ATOM 161 N THR A 15 -11.804 0.546 -3.969 1.00 23.34 N ATOM 162 CA THR A 15 -12.319 1.061 -5.200 1.00 11.43 C ATOM 163 C THR A 15 -11.422 0.553 -6.344 1.00 12.43 C ATOM 164 O THR A 15 -10.196 0.715 -6.301 1.00 75.23 O ATOM 165 CB THR A 15 -12.357 2.613 -5.154 1.00 44.22 C ATOM 166 OG1 THR A 15 -13.234 3.034 -4.077 1.00 34.51 O ATOM 167 CG2 THR A 15 -12.851 3.205 -6.472 1.00 2.44 C ATOM 0 H THR A 15 -10.975 1.035 -3.632 1.00 23.34 H new ATOM 0 HA THR A 15 -13.340 0.717 -5.364 1.00 11.43 H new ATOM 0 HB THR A 15 -11.343 2.974 -4.985 1.00 44.22 H new ATOM 0 HG1 THR A 15 -13.925 2.354 -3.933 1.00 34.51 H new ATOM 0 HG21 THR A 15 -12.864 4.293 -6.400 1.00 2.44 H new ATOM 0 HG22 THR A 15 -12.184 2.902 -7.279 1.00 2.44 H new ATOM 0 HG23 THR A 15 -13.858 2.843 -6.678 1.00 2.44 H new ATOM 173 N TYR A 16 -12.024 -0.087 -7.327 1.00 34.10 N ATOM 174 CA TYR A 16 -11.277 -0.683 -8.423 1.00 1.11 C ATOM 175 C TYR A 16 -11.251 0.216 -9.643 1.00 70.52 C ATOM 176 O TYR A 16 -12.286 0.499 -10.246 1.00 43.05 O ATOM 177 CB TYR A 16 -11.854 -2.055 -8.804 1.00 54.44 C ATOM 178 CG TYR A 16 -11.740 -3.115 -7.730 1.00 10.25 C ATOM 179 CD1 TYR A 16 -10.591 -3.880 -7.617 1.00 10.02 C ATOM 180 CD2 TYR A 16 -12.777 -3.355 -6.838 1.00 3.43 C ATOM 181 CE1 TYR A 16 -10.468 -4.856 -6.656 1.00 64.23 C ATOM 182 CE2 TYR A 16 -12.665 -4.333 -5.865 1.00 22.05 C ATOM 183 CZ TYR A 16 -11.506 -5.081 -5.781 1.00 20.11 C ATOM 184 OH TYR A 16 -11.389 -6.062 -4.815 1.00 0.53 O ATOM 0 H TYR A 16 -13.035 -0.209 -7.391 1.00 34.10 H new ATOM 0 HA TYR A 16 -10.253 -0.812 -8.072 1.00 1.11 H new ATOM 0 HB2 TYR A 16 -12.906 -1.932 -9.062 1.00 54.44 H new ATOM 0 HB3 TYR A 16 -11.346 -2.410 -9.700 1.00 54.44 H new ATOM 0 HD1 TYR A 16 -9.772 -3.706 -8.300 1.00 10.02 H new ATOM 0 HD2 TYR A 16 -13.683 -2.771 -6.904 1.00 3.43 H new ATOM 0 HE1 TYR A 16 -9.563 -5.442 -6.588 1.00 64.23 H new ATOM 0 HE2 TYR A 16 -13.478 -4.510 -5.176 1.00 22.05 H new ATOM 0 HH TYR A 16 -12.181 -6.638 -4.836 1.00 0.53 H new ATOM 194 N VAL A 17 -10.075 0.664 -9.999 1.00 23.44 N ATOM 195 CA VAL A 17 -9.881 1.476 -11.178 1.00 20.23 C ATOM 196 C VAL A 17 -8.735 0.905 -11.993 1.00 3.41 C ATOM 197 O VAL A 17 -7.752 0.435 -11.437 1.00 73.32 O ATOM 198 CB VAL A 17 -9.623 2.965 -10.813 1.00 51.14 C ATOM 199 CG1 VAL A 17 -8.411 3.130 -9.922 1.00 63.43 C ATOM 200 CG2 VAL A 17 -9.527 3.851 -12.053 1.00 33.44 C ATOM 0 H VAL A 17 -9.218 0.476 -9.478 1.00 23.44 H new ATOM 0 HA VAL A 17 -10.793 1.453 -11.774 1.00 20.23 H new ATOM 0 HB VAL A 17 -10.490 3.299 -10.244 1.00 51.14 H new ATOM 0 HG11 VAL A 17 -8.269 4.186 -9.693 1.00 63.43 H new ATOM 0 HG12 VAL A 17 -8.562 2.575 -8.996 1.00 63.43 H new ATOM 0 HG13 VAL A 17 -7.528 2.748 -10.434 1.00 63.43 H new ATOM 0 HG21 VAL A 17 -9.346 4.882 -11.750 1.00 33.44 H new ATOM 0 HG22 VAL A 17 -8.706 3.508 -12.682 1.00 33.44 H new ATOM 0 HG23 VAL A 17 -10.461 3.796 -12.613 1.00 33.44 H new ATOM 206 N LYS A 18 -8.870 0.899 -13.280 1.00 11.40 N ATOM 207 CA LYS A 18 -7.830 0.363 -14.130 1.00 61.40 C ATOM 208 C LYS A 18 -6.897 1.473 -14.574 1.00 13.53 C ATOM 209 O LYS A 18 -7.352 2.526 -15.029 1.00 71.53 O ATOM 210 CB LYS A 18 -8.435 -0.418 -15.317 1.00 34.43 C ATOM 211 CG LYS A 18 -7.411 -1.037 -16.261 1.00 64.24 C ATOM 212 CD LYS A 18 -8.065 -1.897 -17.331 1.00 22.44 C ATOM 213 CE LYS A 18 -8.853 -3.044 -16.721 1.00 5.02 C ATOM 214 NZ LYS A 18 -9.416 -3.938 -17.758 1.00 13.24 N ATOM 0 H LYS A 18 -9.686 1.257 -13.776 1.00 11.40 H new ATOM 0 HA LYS A 18 -7.236 -0.353 -13.562 1.00 61.40 H new ATOM 0 HB2 LYS A 18 -9.073 -1.210 -14.925 1.00 34.43 H new ATOM 0 HB3 LYS A 18 -9.075 0.254 -15.888 1.00 34.43 H new ATOM 0 HG2 LYS A 18 -6.832 -0.245 -16.737 1.00 64.24 H new ATOM 0 HG3 LYS A 18 -6.710 -1.644 -15.687 1.00 64.24 H new ATOM 0 HD2 LYS A 18 -8.728 -1.281 -17.938 1.00 22.44 H new ATOM 0 HD3 LYS A 18 -7.300 -2.294 -17.998 1.00 22.44 H new ATOM 0 HE2 LYS A 18 -8.205 -3.618 -16.059 1.00 5.02 H new ATOM 0 HE3 LYS A 18 -9.661 -2.644 -16.108 1.00 5.02 H new ATOM 0 HZ1 LYS A 18 -9.946 -4.708 -17.302 1.00 13.24 H new ATOM 0 HZ2 LYS A 18 -10.054 -3.396 -18.375 1.00 13.24 H new ATOM 0 HZ3 LYS A 18 -8.643 -4.340 -18.327 1.00 13.24 H new ATOM 228 N GLY A 19 -5.604 1.256 -14.422 1.00 63.34 N ATOM 229 CA GLY A 19 -4.655 2.303 -14.775 1.00 60.13 C ATOM 230 C GLY A 19 -3.272 2.118 -14.171 1.00 41.23 C ATOM 231 O GLY A 19 -2.841 1.001 -13.942 1.00 41.22 O ATOM 0 H GLY A 19 -5.192 0.393 -14.068 1.00 63.34 H new ATOM 0 HA2 GLY A 19 -4.563 2.344 -15.860 1.00 60.13 H new ATOM 0 HA3 GLY A 19 -5.055 3.264 -14.452 1.00 60.13 H new ATOM 235 N ASP A 20 -2.579 3.228 -13.939 1.00 13.34 N ATOM 236 CA ASP A 20 -1.205 3.233 -13.387 1.00 64.14 C ATOM 237 C ASP A 20 -1.222 3.755 -11.952 1.00 43.51 C ATOM 238 O ASP A 20 -1.877 4.755 -11.669 1.00 33.40 O ATOM 239 CB ASP A 20 -0.299 4.126 -14.247 1.00 11.10 C ATOM 240 CG ASP A 20 1.138 4.186 -13.765 1.00 20.54 C ATOM 241 OD1 ASP A 20 1.456 5.022 -12.918 1.00 60.12 O ATOM 242 OD2 ASP A 20 1.977 3.418 -14.264 1.00 14.54 O ATOM 0 H ASP A 20 -2.946 4.161 -14.126 1.00 13.34 H new ATOM 0 HA ASP A 20 -0.818 2.214 -13.395 1.00 64.14 H new ATOM 0 HB2 ASP A 20 -0.313 3.760 -15.274 1.00 11.10 H new ATOM 0 HB3 ASP A 20 -0.709 5.136 -14.263 1.00 11.10 H new ATOM 247 N LEU A 21 -0.494 3.105 -11.067 1.00 73.43 N ATOM 248 CA LEU A 21 -0.508 3.471 -9.654 1.00 25.24 C ATOM 249 C LEU A 21 0.256 4.783 -9.376 1.00 34.14 C ATOM 250 O LEU A 21 -0.067 5.523 -8.457 1.00 2.34 O ATOM 251 CB LEU A 21 0.080 2.345 -8.820 1.00 70.22 C ATOM 252 CG LEU A 21 -0.010 2.517 -7.318 1.00 1.12 C ATOM 253 CD1 LEU A 21 -1.458 2.524 -6.871 1.00 43.32 C ATOM 254 CD2 LEU A 21 0.768 1.439 -6.612 1.00 21.11 C ATOM 0 H LEU A 21 0.116 2.320 -11.295 1.00 73.43 H new ATOM 0 HA LEU A 21 -1.549 3.636 -9.375 1.00 25.24 H new ATOM 0 HB2 LEU A 21 -0.424 1.417 -9.091 1.00 70.22 H new ATOM 0 HB3 LEU A 21 1.129 2.228 -9.091 1.00 70.22 H new ATOM 0 HG LEU A 21 0.432 3.478 -7.053 1.00 1.12 H new ATOM 0 HD11 LEU A 21 -1.504 2.648 -5.789 1.00 43.32 H new ATOM 0 HD12 LEU A 21 -1.984 3.348 -7.354 1.00 43.32 H new ATOM 0 HD13 LEU A 21 -1.929 1.581 -7.148 1.00 43.32 H new ATOM 0 HD21 LEU A 21 0.690 1.581 -5.534 1.00 21.11 H new ATOM 0 HD22 LEU A 21 0.363 0.463 -6.880 1.00 21.11 H new ATOM 0 HD23 LEU A 21 1.815 1.491 -6.910 1.00 21.11 H new ATOM 262 N PHE A 22 1.262 5.060 -10.156 1.00 53.32 N ATOM 263 CA PHE A 22 2.075 6.248 -9.942 1.00 30.33 C ATOM 264 C PHE A 22 1.427 7.513 -10.472 1.00 11.44 C ATOM 265 O PHE A 22 1.978 8.604 -10.356 1.00 75.21 O ATOM 266 CB PHE A 22 3.500 6.057 -10.444 1.00 41.02 C ATOM 267 CG PHE A 22 4.207 4.980 -9.685 1.00 4.43 C ATOM 268 CD1 PHE A 22 4.794 5.261 -8.466 1.00 75.32 C ATOM 269 CD2 PHE A 22 4.256 3.683 -10.163 1.00 11.15 C ATOM 270 CE1 PHE A 22 5.418 4.275 -7.743 1.00 33.22 C ATOM 271 CE2 PHE A 22 4.871 2.697 -9.442 1.00 42.44 C ATOM 272 CZ PHE A 22 5.456 2.992 -8.232 1.00 43.14 C ATOM 0 H PHE A 22 1.548 4.486 -10.949 1.00 53.32 H new ATOM 0 HA PHE A 22 2.140 6.389 -8.863 1.00 30.33 H new ATOM 0 HB2 PHE A 22 3.483 5.805 -11.504 1.00 41.02 H new ATOM 0 HB3 PHE A 22 4.050 6.993 -10.347 1.00 41.02 H new ATOM 0 HD1 PHE A 22 4.761 6.268 -8.078 1.00 75.32 H new ATOM 0 HD2 PHE A 22 3.804 3.447 -11.115 1.00 11.15 H new ATOM 0 HE1 PHE A 22 5.877 4.507 -6.793 1.00 33.22 H new ATOM 0 HE2 PHE A 22 4.898 1.687 -9.822 1.00 42.44 H new ATOM 0 HZ PHE A 22 5.946 2.214 -7.666 1.00 43.14 H new ATOM 282 N ALA A 23 0.254 7.364 -11.042 1.00 14.51 N ATOM 283 CA ALA A 23 -0.486 8.486 -11.568 1.00 73.41 C ATOM 284 C ALA A 23 -1.399 9.103 -10.499 1.00 34.32 C ATOM 285 O ALA A 23 -2.081 10.088 -10.761 1.00 33.43 O ATOM 286 CB ALA A 23 -1.300 8.059 -12.784 1.00 62.13 C ATOM 0 H ALA A 23 -0.213 6.464 -11.154 1.00 14.51 H new ATOM 0 HA ALA A 23 0.230 9.248 -11.874 1.00 73.41 H new ATOM 0 HB1 ALA A 23 -1.853 8.915 -13.170 1.00 62.13 H new ATOM 0 HB2 ALA A 23 -0.630 7.681 -13.556 1.00 62.13 H new ATOM 0 HB3 ALA A 23 -2.000 7.275 -12.496 1.00 62.13 H new ATOM 292 N CYS A 24 -1.391 8.535 -9.300 1.00 45.20 N ATOM 293 CA CYS A 24 -2.246 9.010 -8.204 1.00 5.45 C ATOM 294 C CYS A 24 -1.867 10.438 -7.741 1.00 24.32 C ATOM 295 O CYS A 24 -0.709 10.864 -7.906 1.00 40.01 O ATOM 296 CB CYS A 24 -2.177 8.044 -7.026 1.00 42.32 C ATOM 297 SG CYS A 24 -2.701 6.368 -7.410 1.00 32.54 S ATOM 0 H CYS A 24 -0.801 7.740 -9.055 1.00 45.20 H new ATOM 0 HA CYS A 24 -3.267 9.050 -8.585 1.00 5.45 H new ATOM 0 HB2 CYS A 24 -1.153 8.015 -6.654 1.00 42.32 H new ATOM 0 HB3 CYS A 24 -2.798 8.430 -6.218 1.00 42.32 H new ATOM 0 HG CYS A 24 -1.709 5.713 -7.937 1.00 32.54 H new ATOM 303 N PRO A 25 -2.857 11.196 -7.184 1.00 74.31 N ATOM 304 CA PRO A 25 -2.664 12.574 -6.666 1.00 43.14 C ATOM 305 C PRO A 25 -1.473 12.733 -5.707 1.00 23.41 C ATOM 306 O PRO A 25 -1.005 11.778 -5.108 1.00 35.50 O ATOM 307 CB PRO A 25 -3.968 12.844 -5.918 1.00 64.23 C ATOM 308 CG PRO A 25 -4.972 12.048 -6.655 1.00 72.35 C ATOM 309 CD PRO A 25 -4.269 10.775 -7.036 1.00 40.01 C ATOM 0 HA PRO A 25 -2.441 13.264 -7.480 1.00 43.14 H new ATOM 0 HB2 PRO A 25 -3.901 12.536 -4.875 1.00 64.23 H new ATOM 0 HB3 PRO A 25 -4.218 13.905 -5.922 1.00 64.23 H new ATOM 0 HG2 PRO A 25 -5.845 11.845 -6.035 1.00 72.35 H new ATOM 0 HG3 PRO A 25 -5.326 12.581 -7.538 1.00 72.35 H new ATOM 0 HD2 PRO A 25 -4.382 10.008 -6.269 1.00 40.01 H new ATOM 0 HD3 PRO A 25 -4.664 10.359 -7.963 1.00 40.01 H new ATOM 317 N LYS A 26 -1.046 13.976 -5.541 1.00 1.11 N ATOM 318 CA LYS A 26 0.144 14.348 -4.753 1.00 44.34 C ATOM 319 C LYS A 26 0.085 13.892 -3.279 1.00 71.31 C ATOM 320 O LYS A 26 1.111 13.659 -2.658 1.00 41.55 O ATOM 321 CB LYS A 26 0.318 15.872 -4.785 1.00 31.32 C ATOM 322 CG LYS A 26 -0.815 16.642 -4.113 1.00 62.13 C ATOM 323 CD LYS A 26 -0.547 18.131 -4.073 1.00 13.44 C ATOM 324 CE LYS A 26 -1.682 18.872 -3.385 1.00 61.11 C ATOM 325 NZ LYS A 26 -1.882 18.424 -1.983 1.00 32.11 N ATOM 0 H LYS A 26 -1.520 14.779 -5.955 1.00 1.11 H new ATOM 0 HA LYS A 26 0.988 13.834 -5.214 1.00 44.34 H new ATOM 0 HB2 LYS A 26 1.258 16.130 -4.297 1.00 31.32 H new ATOM 0 HB3 LYS A 26 0.398 16.196 -5.823 1.00 31.32 H new ATOM 0 HG2 LYS A 26 -1.746 16.456 -4.648 1.00 62.13 H new ATOM 0 HG3 LYS A 26 -0.952 16.271 -3.097 1.00 62.13 H new ATOM 0 HD2 LYS A 26 0.388 18.321 -3.546 1.00 13.44 H new ATOM 0 HD3 LYS A 26 -0.424 18.509 -5.088 1.00 13.44 H new ATOM 0 HE2 LYS A 26 -1.473 19.942 -3.396 1.00 61.11 H new ATOM 0 HE3 LYS A 26 -2.604 18.722 -3.947 1.00 61.11 H new ATOM 0 HZ1 LYS A 26 -2.666 18.958 -1.556 1.00 32.11 H new ATOM 0 HZ2 LYS A 26 -2.108 17.409 -1.972 1.00 32.11 H new ATOM 0 HZ3 LYS A 26 -1.012 18.591 -1.438 1.00 32.11 H new ATOM 339 N THR A 27 -1.098 13.804 -2.742 1.00 31.24 N ATOM 340 CA THR A 27 -1.284 13.500 -1.337 1.00 54.43 C ATOM 341 C THR A 27 -1.654 12.007 -1.126 1.00 64.15 C ATOM 342 O THR A 27 -1.693 11.503 0.006 1.00 22.00 O ATOM 343 CB THR A 27 -2.393 14.430 -0.785 1.00 34.23 C ATOM 344 OG1 THR A 27 -2.049 15.793 -1.122 1.00 31.43 O ATOM 345 CG2 THR A 27 -2.509 14.324 0.726 1.00 50.44 C ATOM 0 H THR A 27 -1.967 13.940 -3.259 1.00 31.24 H new ATOM 0 HA THR A 27 -0.352 13.671 -0.799 1.00 54.43 H new ATOM 0 HB THR A 27 -3.345 14.134 -1.225 1.00 34.23 H new ATOM 0 HG1 THR A 27 -2.365 16.394 -0.416 1.00 31.43 H new ATOM 0 HG21 THR A 27 -3.297 14.990 1.078 1.00 50.44 H new ATOM 0 HG22 THR A 27 -2.752 13.298 1.001 1.00 50.44 H new ATOM 0 HG23 THR A 27 -1.562 14.608 1.184 1.00 50.44 H new ATOM 351 N ASP A 28 -1.875 11.315 -2.218 1.00 23.14 N ATOM 352 CA ASP A 28 -2.286 9.915 -2.190 1.00 30.45 C ATOM 353 C ASP A 28 -1.155 9.040 -1.630 1.00 3.03 C ATOM 354 O ASP A 28 -0.007 9.103 -2.110 1.00 52.25 O ATOM 355 CB ASP A 28 -2.635 9.477 -3.610 1.00 24.14 C ATOM 356 CG ASP A 28 -3.062 8.036 -3.719 1.00 10.20 C ATOM 357 OD1 ASP A 28 -2.204 7.172 -3.635 1.00 72.31 O ATOM 358 OD2 ASP A 28 -4.265 7.770 -3.964 1.00 34.12 O ATOM 0 H ASP A 28 -1.777 11.700 -3.158 1.00 23.14 H new ATOM 0 HA ASP A 28 -3.157 9.802 -1.545 1.00 30.45 H new ATOM 0 HB2 ASP A 28 -3.436 10.112 -3.989 1.00 24.14 H new ATOM 0 HB3 ASP A 28 -1.769 9.638 -4.252 1.00 24.14 H new ATOM 363 N SER A 29 -1.463 8.251 -0.627 1.00 11.44 N ATOM 364 CA SER A 29 -0.473 7.389 -0.022 1.00 20.12 C ATOM 365 C SER A 29 -0.447 6.018 -0.707 1.00 4.14 C ATOM 366 O SER A 29 -1.478 5.466 -1.039 1.00 63.22 O ATOM 367 CB SER A 29 -0.724 7.269 1.473 1.00 2.11 C ATOM 368 OG SER A 29 -0.635 8.551 2.085 1.00 22.11 O ATOM 0 H SER A 29 -2.393 8.188 -0.212 1.00 11.44 H new ATOM 0 HA SER A 29 0.512 7.835 -0.161 1.00 20.12 H new ATOM 0 HB2 SER A 29 -1.710 6.839 1.651 1.00 2.11 H new ATOM 0 HB3 SER A 29 0.005 6.592 1.919 1.00 2.11 H new ATOM 0 HG SER A 29 -1.518 8.977 2.083 1.00 22.11 H new ATOM 374 N LEU A 30 0.739 5.483 -0.888 1.00 5.53 N ATOM 375 CA LEU A 30 0.938 4.246 -1.630 1.00 14.02 C ATOM 376 C LEU A 30 1.347 3.115 -0.704 1.00 41.52 C ATOM 377 O LEU A 30 2.235 3.279 0.125 1.00 23.30 O ATOM 378 CB LEU A 30 2.041 4.467 -2.665 1.00 41.14 C ATOM 379 CG LEU A 30 1.746 5.497 -3.758 1.00 10.52 C ATOM 380 CD1 LEU A 30 3.031 5.973 -4.414 1.00 3.50 C ATOM 381 CD2 LEU A 30 0.907 4.841 -4.807 1.00 14.30 C ATOM 0 H LEU A 30 1.601 5.891 -0.525 1.00 5.53 H new ATOM 0 HA LEU A 30 0.001 3.973 -2.115 1.00 14.02 H new ATOM 0 HB2 LEU A 30 2.946 4.774 -2.141 1.00 41.14 H new ATOM 0 HB3 LEU A 30 2.258 3.512 -3.144 1.00 41.14 H new ATOM 0 HG LEU A 30 1.236 6.350 -3.310 1.00 10.52 H new ATOM 0 HD11 LEU A 30 2.796 6.704 -5.187 1.00 3.50 H new ATOM 0 HD12 LEU A 30 3.674 6.433 -3.663 1.00 3.50 H new ATOM 0 HD13 LEU A 30 3.547 5.124 -4.863 1.00 3.50 H new ATOM 0 HD21 LEU A 30 0.685 5.559 -5.597 1.00 14.30 H new ATOM 0 HD22 LEU A 30 1.448 3.994 -5.228 1.00 14.30 H new ATOM 0 HD23 LEU A 30 -0.025 4.492 -4.362 1.00 14.30 H new ATOM 389 N ALA A 31 0.721 1.975 -0.846 1.00 0.22 N ATOM 390 CA ALA A 31 1.072 0.813 -0.044 1.00 51.32 C ATOM 391 C ALA A 31 1.364 -0.377 -0.925 1.00 71.24 C ATOM 392 O ALA A 31 0.855 -0.474 -2.041 1.00 4.31 O ATOM 393 CB ALA A 31 -0.029 0.465 0.942 1.00 60.33 C ATOM 0 H ALA A 31 -0.038 1.818 -1.509 1.00 0.22 H new ATOM 0 HA ALA A 31 1.969 1.067 0.520 1.00 51.32 H new ATOM 0 HB1 ALA A 31 0.267 -0.408 1.524 1.00 60.33 H new ATOM 0 HB2 ALA A 31 -0.197 1.308 1.612 1.00 60.33 H new ATOM 0 HB3 ALA A 31 -0.948 0.244 0.399 1.00 60.33 H new ATOM 399 N HIS A 32 2.212 -1.267 -0.437 1.00 13.03 N ATOM 400 CA HIS A 32 2.558 -2.492 -1.141 1.00 40.23 C ATOM 401 C HIS A 32 3.310 -3.445 -0.234 1.00 42.35 C ATOM 402 O HIS A 32 3.758 -3.066 0.847 1.00 44.12 O ATOM 403 CB HIS A 32 3.333 -2.234 -2.463 1.00 32.42 C ATOM 404 CG HIS A 32 4.629 -1.494 -2.320 1.00 41.35 C ATOM 405 ND1 HIS A 32 5.853 -2.038 -2.662 1.00 23.54 N ATOM 406 CD2 HIS A 32 4.882 -0.220 -1.940 1.00 21.54 C ATOM 407 CE1 HIS A 32 6.786 -1.137 -2.499 1.00 21.21 C ATOM 408 NE2 HIS A 32 6.227 -0.025 -2.062 1.00 62.02 N ATOM 0 H HIS A 32 2.682 -1.160 0.462 1.00 13.03 H new ATOM 0 HA HIS A 32 1.618 -2.963 -1.429 1.00 40.23 H new ATOM 0 HB2 HIS A 32 3.534 -3.194 -2.939 1.00 32.42 H new ATOM 0 HB3 HIS A 32 2.687 -1.673 -3.138 1.00 32.42 H new ATOM 0 HD1 HIS A 32 6.004 -2.992 -2.990 1.00 23.54 H new ATOM 0 HD2 HIS A 32 4.156 0.506 -1.604 1.00 21.54 H new ATOM 0 HE1 HIS A 32 7.839 -1.279 -2.690 1.00 21.21 H new ATOM 417 N CYS A 33 3.455 -4.652 -0.690 1.00 43.44 N ATOM 418 CA CYS A 33 4.061 -5.721 0.064 1.00 1.55 C ATOM 419 C CYS A 33 5.515 -5.950 -0.332 1.00 42.52 C ATOM 420 O CYS A 33 5.867 -5.849 -1.524 1.00 35.50 O ATOM 421 CB CYS A 33 3.250 -6.992 -0.190 1.00 54.14 C ATOM 422 SG CYS A 33 3.970 -8.490 0.460 1.00 23.24 S ATOM 0 H CYS A 33 3.149 -4.934 -1.621 1.00 43.44 H new ATOM 0 HA CYS A 33 4.058 -5.454 1.121 1.00 1.55 H new ATOM 0 HB2 CYS A 33 2.259 -6.865 0.245 1.00 54.14 H new ATOM 0 HB3 CYS A 33 3.114 -7.109 -1.265 1.00 54.14 H new ATOM 0 HG CYS A 33 3.370 -9.520 -0.058 1.00 23.24 H new ATOM 428 N ILE A 34 6.357 -6.213 0.681 1.00 21.33 N ATOM 429 CA ILE A 34 7.754 -6.621 0.520 1.00 42.44 C ATOM 430 C ILE A 34 8.137 -7.494 1.715 1.00 5.35 C ATOM 431 O ILE A 34 7.355 -7.657 2.637 1.00 12.15 O ATOM 432 CB ILE A 34 8.790 -5.455 0.414 1.00 2.21 C ATOM 433 CG1 ILE A 34 8.798 -4.590 1.667 1.00 71.33 C ATOM 434 CG2 ILE A 34 8.569 -4.607 -0.836 1.00 62.43 C ATOM 435 CD1 ILE A 34 9.903 -3.566 1.664 1.00 14.12 C ATOM 0 H ILE A 34 6.073 -6.145 1.658 1.00 21.33 H new ATOM 0 HA ILE A 34 7.801 -7.146 -0.434 1.00 42.44 H new ATOM 0 HB ILE A 34 9.773 -5.918 0.326 1.00 2.21 H new ATOM 0 HG12 ILE A 34 7.838 -4.081 1.758 1.00 71.33 H new ATOM 0 HG13 ILE A 34 8.904 -5.229 2.543 1.00 71.33 H new ATOM 0 HG21 ILE A 34 9.310 -3.809 -0.870 1.00 62.43 H new ATOM 0 HG22 ILE A 34 8.669 -5.233 -1.723 1.00 62.43 H new ATOM 0 HG23 ILE A 34 7.570 -4.173 -0.809 1.00 62.43 H new ATOM 0 HD11 ILE A 34 9.858 -2.980 2.582 1.00 14.12 H new ATOM 0 HD12 ILE A 34 10.867 -4.071 1.603 1.00 14.12 H new ATOM 0 HD13 ILE A 34 9.785 -2.905 0.805 1.00 14.12 H new ATOM 442 N SER A 35 9.305 -8.061 1.700 1.00 25.14 N ATOM 443 CA SER A 35 9.752 -8.854 2.817 1.00 41.32 C ATOM 444 C SER A 35 10.810 -8.074 3.636 1.00 20.55 C ATOM 445 O SER A 35 11.309 -7.041 3.180 1.00 34.44 O ATOM 446 CB SER A 35 10.346 -10.148 2.301 1.00 4.11 C ATOM 447 OG SER A 35 9.403 -10.844 1.516 1.00 0.12 O ATOM 0 H SER A 35 9.970 -7.993 0.929 1.00 25.14 H new ATOM 0 HA SER A 35 8.905 -9.075 3.467 1.00 41.32 H new ATOM 0 HB2 SER A 35 11.236 -9.936 1.709 1.00 4.11 H new ATOM 0 HB3 SER A 35 10.661 -10.770 3.139 1.00 4.11 H new ATOM 0 HG SER A 35 8.509 -10.730 1.901 1.00 0.12 H new ATOM 453 N GLU A 36 11.166 -8.610 4.806 1.00 42.02 N ATOM 454 CA GLU A 36 12.150 -8.018 5.754 1.00 60.32 C ATOM 455 C GLU A 36 13.502 -7.856 5.057 1.00 13.42 C ATOM 456 O GLU A 36 14.228 -6.895 5.283 1.00 2.51 O ATOM 457 CB GLU A 36 12.284 -8.997 6.960 1.00 13.11 C ATOM 458 CG GLU A 36 13.064 -8.528 8.213 1.00 22.53 C ATOM 459 CD GLU A 36 14.544 -8.227 8.007 1.00 53.13 C ATOM 460 OE1 GLU A 36 15.331 -9.170 7.793 1.00 2.12 O ATOM 461 OE2 GLU A 36 14.943 -7.042 8.109 1.00 32.33 O ATOM 0 H GLU A 36 10.775 -9.491 5.141 1.00 42.02 H new ATOM 0 HA GLU A 36 11.820 -7.036 6.094 1.00 60.32 H new ATOM 0 HB2 GLU A 36 11.278 -9.269 7.279 1.00 13.11 H new ATOM 0 HB3 GLU A 36 12.760 -9.908 6.596 1.00 13.11 H new ATOM 0 HG2 GLU A 36 12.582 -7.631 8.601 1.00 22.53 H new ATOM 0 HG3 GLU A 36 12.974 -9.296 8.981 1.00 22.53 H new ATOM 468 N ASP A 37 13.778 -8.768 4.151 1.00 72.14 N ATOM 469 CA ASP A 37 15.072 -8.846 3.474 1.00 3.34 C ATOM 470 C ASP A 37 15.272 -7.679 2.501 1.00 63.42 C ATOM 471 O ASP A 37 16.357 -7.473 1.981 1.00 2.31 O ATOM 472 CB ASP A 37 15.182 -10.204 2.770 1.00 52.44 C ATOM 473 CG ASP A 37 16.500 -10.457 2.097 1.00 44.11 C ATOM 474 OD1 ASP A 37 17.532 -10.525 2.794 1.00 31.21 O ATOM 475 OD2 ASP A 37 16.514 -10.650 0.887 1.00 51.32 O ATOM 0 H ASP A 37 13.114 -9.484 3.856 1.00 72.14 H new ATOM 0 HA ASP A 37 15.870 -8.763 4.212 1.00 3.34 H new ATOM 0 HB2 ASP A 37 15.006 -10.993 3.502 1.00 52.44 H new ATOM 0 HB3 ASP A 37 14.389 -10.277 2.025 1.00 52.44 H new ATOM 480 N CYS A 38 14.198 -6.922 2.279 1.00 21.54 N ATOM 481 CA CYS A 38 14.197 -5.682 1.483 1.00 34.21 C ATOM 482 C CYS A 38 14.516 -5.876 -0.008 1.00 12.11 C ATOM 483 O CYS A 38 14.585 -4.910 -0.745 1.00 60.14 O ATOM 484 CB CYS A 38 15.108 -4.618 2.110 1.00 23.51 C ATOM 485 SG CYS A 38 14.710 -4.235 3.838 1.00 44.43 S ATOM 0 H CYS A 38 13.279 -7.155 2.654 1.00 21.54 H new ATOM 0 HA CYS A 38 13.166 -5.329 1.510 1.00 34.21 H new ATOM 0 HB2 CYS A 38 16.142 -4.959 2.053 1.00 23.51 H new ATOM 0 HB3 CYS A 38 15.041 -3.703 1.521 1.00 23.51 H new ATOM 0 HG CYS A 38 14.331 -5.319 4.447 1.00 44.43 H new ATOM 491 N ARG A 39 14.703 -7.110 -0.451 1.00 74.22 N ATOM 492 CA ARG A 39 14.882 -7.365 -1.874 1.00 1.50 C ATOM 493 C ARG A 39 13.552 -7.241 -2.589 1.00 53.22 C ATOM 494 O ARG A 39 12.830 -8.221 -2.777 1.00 52.31 O ATOM 495 CB ARG A 39 15.545 -8.727 -2.149 1.00 23.54 C ATOM 496 CG ARG A 39 17.021 -8.786 -1.776 1.00 50.51 C ATOM 497 CD ARG A 39 17.589 -10.200 -1.903 1.00 53.43 C ATOM 498 NE ARG A 39 17.387 -10.803 -3.234 1.00 2.44 N ATOM 499 CZ ARG A 39 17.881 -11.998 -3.616 1.00 23.50 C ATOM 500 NH1 ARG A 39 18.655 -12.707 -2.795 1.00 15.21 N ATOM 501 NH2 ARG A 39 17.597 -12.471 -4.819 1.00 34.04 N ATOM 0 H ARG A 39 14.735 -7.939 0.142 1.00 74.22 H new ATOM 0 HA ARG A 39 15.566 -6.612 -2.265 1.00 1.50 H new ATOM 0 HB2 ARG A 39 15.010 -9.498 -1.595 1.00 23.54 H new ATOM 0 HB3 ARG A 39 15.439 -8.964 -3.208 1.00 23.54 H new ATOM 0 HG2 ARG A 39 17.585 -8.110 -2.419 1.00 50.51 H new ATOM 0 HG3 ARG A 39 17.150 -8.434 -0.753 1.00 50.51 H new ATOM 0 HD2 ARG A 39 18.656 -10.174 -1.684 1.00 53.43 H new ATOM 0 HD3 ARG A 39 17.124 -10.838 -1.151 1.00 53.43 H new ATOM 0 HE ARG A 39 16.835 -10.279 -3.913 1.00 2.44 H new ATOM 0 HH11 ARG A 39 18.879 -12.347 -1.867 1.00 15.21 H new ATOM 0 HH12 ARG A 39 19.023 -13.610 -3.094 1.00 15.21 H new ATOM 0 HH21 ARG A 39 17.007 -11.932 -5.453 1.00 34.04 H new ATOM 0 HH22 ARG A 39 17.968 -13.375 -5.113 1.00 34.04 H new ATOM 513 N MET A 40 13.191 -6.013 -2.902 1.00 33.43 N ATOM 514 CA MET A 40 11.926 -5.725 -3.538 1.00 61.30 C ATOM 515 C MET A 40 12.108 -5.639 -5.048 1.00 5.44 C ATOM 516 O MET A 40 11.128 -5.506 -5.808 1.00 62.12 O ATOM 517 CB MET A 40 11.340 -4.382 -3.040 1.00 61.42 C ATOM 518 CG MET A 40 12.009 -3.114 -3.622 1.00 71.21 C ATOM 519 SD MET A 40 13.664 -2.780 -3.020 1.00 11.12 S ATOM 520 CE MET A 40 13.297 -2.107 -1.404 1.00 10.11 C ATOM 0 H MET A 40 13.766 -5.190 -2.722 1.00 33.43 H new ATOM 0 HA MET A 40 11.240 -6.532 -3.283 1.00 61.30 H new ATOM 0 HB2 MET A 40 10.277 -4.356 -3.282 1.00 61.42 H new ATOM 0 HB3 MET A 40 11.421 -4.350 -1.953 1.00 61.42 H new ATOM 0 HG2 MET A 40 12.046 -3.208 -4.707 1.00 71.21 H new ATOM 0 HG3 MET A 40 11.378 -2.254 -3.398 1.00 71.21 H new ATOM 0 HE1 MET A 40 14.225 -1.815 -0.912 1.00 10.11 H new ATOM 0 HE2 MET A 40 12.653 -1.234 -1.511 1.00 10.11 H new ATOM 0 HE3 MET A 40 12.790 -2.861 -0.802 1.00 10.11 H new ATOM 530 N GLY A 41 13.352 -5.710 -5.476 1.00 22.31 N ATOM 531 CA GLY A 41 13.706 -5.489 -6.853 1.00 53.32 C ATOM 532 C GLY A 41 13.371 -6.615 -7.803 1.00 22.14 C ATOM 533 O GLY A 41 14.253 -7.144 -8.476 1.00 34.42 O ATOM 0 H GLY A 41 14.145 -5.924 -4.872 1.00 22.31 H new ATOM 0 HA2 GLY A 41 13.204 -4.585 -7.198 1.00 53.32 H new ATOM 0 HA3 GLY A 41 14.778 -5.298 -6.908 1.00 53.32 H new ATOM 537 N ALA A 42 12.122 -6.980 -7.857 1.00 31.43 N ATOM 538 CA ALA A 42 11.663 -7.970 -8.813 1.00 15.15 C ATOM 539 C ALA A 42 10.267 -7.635 -9.327 1.00 2.33 C ATOM 540 O ALA A 42 9.715 -8.348 -10.182 1.00 15.40 O ATOM 541 CB ALA A 42 11.701 -9.367 -8.214 1.00 11.33 C ATOM 0 H ALA A 42 11.392 -6.609 -7.249 1.00 31.43 H new ATOM 0 HA ALA A 42 12.345 -7.950 -9.663 1.00 15.15 H new ATOM 0 HB1 ALA A 42 11.352 -10.089 -8.952 1.00 11.33 H new ATOM 0 HB2 ALA A 42 12.723 -9.611 -7.923 1.00 11.33 H new ATOM 0 HB3 ALA A 42 11.056 -9.404 -7.336 1.00 11.33 H new ATOM 547 N GLY A 43 9.705 -6.546 -8.836 1.00 65.34 N ATOM 548 CA GLY A 43 8.370 -6.174 -9.233 1.00 3.42 C ATOM 549 C GLY A 43 8.173 -4.689 -9.208 1.00 23.30 C ATOM 550 O GLY A 43 9.150 -3.946 -9.261 1.00 2.34 O ATOM 0 H GLY A 43 10.150 -5.914 -8.170 1.00 65.34 H new ATOM 0 HA2 GLY A 43 8.172 -6.550 -10.237 1.00 3.42 H new ATOM 0 HA3 GLY A 43 7.648 -6.647 -8.567 1.00 3.42 H new ATOM 554 N ILE A 44 6.911 -4.252 -9.105 1.00 20.41 N ATOM 555 CA ILE A 44 6.525 -2.809 -9.064 1.00 2.42 C ATOM 556 C ILE A 44 7.316 -2.034 -7.986 1.00 65.12 C ATOM 557 O ILE A 44 7.507 -0.828 -8.076 1.00 52.31 O ATOM 558 CB ILE A 44 4.988 -2.643 -8.786 1.00 25.33 C ATOM 559 CG1 ILE A 44 4.593 -1.150 -8.763 1.00 63.13 C ATOM 560 CG2 ILE A 44 4.579 -3.346 -7.487 1.00 40.32 C ATOM 561 CD1 ILE A 44 3.152 -0.883 -8.402 1.00 75.04 C ATOM 0 H ILE A 44 6.112 -4.884 -9.046 1.00 20.41 H new ATOM 0 HA ILE A 44 6.766 -2.395 -10.043 1.00 2.42 H new ATOM 0 HB ILE A 44 4.446 -3.122 -9.601 1.00 25.33 H new ATOM 0 HG12 ILE A 44 5.234 -0.630 -8.051 1.00 63.13 H new ATOM 0 HG13 ILE A 44 4.793 -0.720 -9.745 1.00 63.13 H new ATOM 0 HG21 ILE A 44 3.510 -3.213 -7.322 1.00 40.32 H new ATOM 0 HG22 ILE A 44 4.805 -4.410 -7.562 1.00 40.32 H new ATOM 0 HG23 ILE A 44 5.131 -2.916 -6.651 1.00 40.32 H new ATOM 0 HD11 ILE A 44 2.968 0.191 -8.411 1.00 75.04 H new ATOM 0 HD12 ILE A 44 2.499 -1.370 -9.127 1.00 75.04 H new ATOM 0 HD13 ILE A 44 2.947 -1.278 -7.407 1.00 75.04 H new ATOM 568 N ALA A 45 7.791 -2.755 -7.002 1.00 3.11 N ATOM 569 CA ALA A 45 8.546 -2.201 -5.917 1.00 11.31 C ATOM 570 C ALA A 45 9.828 -1.482 -6.396 1.00 43.40 C ATOM 571 O ALA A 45 10.318 -0.573 -5.718 1.00 33.02 O ATOM 572 CB ALA A 45 8.822 -3.258 -4.883 1.00 2.33 C ATOM 0 H ALA A 45 7.658 -3.764 -6.935 1.00 3.11 H new ATOM 0 HA ALA A 45 7.942 -1.426 -5.446 1.00 11.31 H new ATOM 0 HB1 ALA A 45 9.396 -2.825 -4.064 1.00 2.33 H new ATOM 0 HB2 ALA A 45 7.879 -3.647 -4.499 1.00 2.33 H new ATOM 0 HB3 ALA A 45 9.391 -4.070 -5.336 1.00 2.33 H new ATOM 578 N VAL A 46 10.366 -1.893 -7.567 1.00 21.34 N ATOM 579 CA VAL A 46 11.551 -1.233 -8.158 1.00 63.22 C ATOM 580 C VAL A 46 11.249 0.248 -8.459 1.00 15.43 C ATOM 581 O VAL A 46 12.114 1.111 -8.328 1.00 15.53 O ATOM 582 CB VAL A 46 12.052 -1.934 -9.484 1.00 5.51 C ATOM 583 CG1 VAL A 46 12.461 -3.373 -9.242 1.00 52.33 C ATOM 584 CG2 VAL A 46 11.024 -1.851 -10.613 1.00 42.20 C ATOM 0 H VAL A 46 10.002 -2.671 -8.117 1.00 21.34 H new ATOM 0 HA VAL A 46 12.346 -1.317 -7.417 1.00 63.22 H new ATOM 0 HB VAL A 46 12.934 -1.379 -9.803 1.00 5.51 H new ATOM 0 HG11 VAL A 46 12.799 -3.818 -10.178 1.00 52.33 H new ATOM 0 HG12 VAL A 46 13.271 -3.403 -8.513 1.00 52.33 H new ATOM 0 HG13 VAL A 46 11.608 -3.934 -8.861 1.00 52.33 H new ATOM 0 HG21 VAL A 46 11.417 -2.347 -11.500 1.00 42.20 H new ATOM 0 HG22 VAL A 46 10.102 -2.341 -10.302 1.00 42.20 H new ATOM 0 HG23 VAL A 46 10.819 -0.805 -10.843 1.00 42.20 H new ATOM 590 N LEU A 47 10.002 0.516 -8.815 1.00 64.22 N ATOM 591 CA LEU A 47 9.547 1.845 -9.169 1.00 61.33 C ATOM 592 C LEU A 47 9.495 2.732 -7.929 1.00 23.23 C ATOM 593 O LEU A 47 9.880 3.912 -7.970 1.00 74.02 O ATOM 594 CB LEU A 47 8.175 1.740 -9.838 1.00 34.12 C ATOM 595 CG LEU A 47 8.126 0.947 -11.159 1.00 14.01 C ATOM 596 CD1 LEU A 47 6.695 0.715 -11.592 1.00 71.41 C ATOM 597 CD2 LEU A 47 8.844 1.708 -12.242 1.00 34.11 C ATOM 0 H LEU A 47 9.272 -0.194 -8.866 1.00 64.22 H new ATOM 0 HA LEU A 47 10.245 2.303 -9.870 1.00 61.33 H new ATOM 0 HB2 LEU A 47 7.484 1.277 -9.134 1.00 34.12 H new ATOM 0 HB3 LEU A 47 7.808 2.748 -10.029 1.00 34.12 H new ATOM 0 HG LEU A 47 8.611 -0.015 -10.994 1.00 14.01 H new ATOM 0 HD11 LEU A 47 6.684 0.154 -12.526 1.00 71.41 H new ATOM 0 HD12 LEU A 47 6.169 0.149 -10.823 1.00 71.41 H new ATOM 0 HD13 LEU A 47 6.199 1.675 -11.739 1.00 71.41 H new ATOM 0 HD21 LEU A 47 8.805 1.141 -13.172 1.00 34.11 H new ATOM 0 HD22 LEU A 47 8.364 2.676 -12.386 1.00 34.11 H new ATOM 0 HD23 LEU A 47 9.884 1.859 -11.952 1.00 34.11 H new ATOM 605 N PHE A 48 9.046 2.154 -6.821 1.00 11.02 N ATOM 606 CA PHE A 48 9.005 2.866 -5.551 1.00 14.14 C ATOM 607 C PHE A 48 10.420 3.146 -5.054 1.00 75.41 C ATOM 608 O PHE A 48 10.690 4.220 -4.505 1.00 21.44 O ATOM 609 CB PHE A 48 8.224 2.091 -4.484 1.00 31.34 C ATOM 610 CG PHE A 48 6.738 1.952 -4.725 1.00 20.11 C ATOM 611 CD1 PHE A 48 5.848 2.892 -4.224 1.00 60.33 C ATOM 612 CD2 PHE A 48 6.224 0.866 -5.406 1.00 20.12 C ATOM 613 CE1 PHE A 48 4.508 2.749 -4.399 1.00 72.34 C ATOM 614 CE2 PHE A 48 4.863 0.729 -5.588 1.00 22.41 C ATOM 615 CZ PHE A 48 4.008 1.679 -5.075 1.00 43.02 C ATOM 0 H PHE A 48 8.705 1.194 -6.777 1.00 11.02 H new ATOM 0 HA PHE A 48 8.486 3.809 -5.725 1.00 14.14 H new ATOM 0 HB2 PHE A 48 8.654 1.093 -4.400 1.00 31.34 H new ATOM 0 HB3 PHE A 48 8.372 2.584 -3.523 1.00 31.34 H new ATOM 0 HD1 PHE A 48 6.226 3.750 -3.687 1.00 60.33 H new ATOM 0 HD2 PHE A 48 6.894 0.116 -5.800 1.00 20.12 H new ATOM 0 HE1 PHE A 48 3.834 3.491 -3.998 1.00 72.34 H new ATOM 0 HE2 PHE A 48 4.470 -0.119 -6.130 1.00 22.41 H new ATOM 0 HZ PHE A 48 2.941 1.575 -5.209 1.00 43.02 H new ATOM 625 N LYS A 49 11.326 2.170 -5.251 1.00 51.13 N ATOM 626 CA LYS A 49 12.710 2.323 -4.887 1.00 72.44 C ATOM 627 C LYS A 49 13.303 3.548 -5.590 1.00 41.00 C ATOM 628 O LYS A 49 13.920 4.392 -4.954 1.00 2.14 O ATOM 629 CB LYS A 49 13.494 1.093 -5.322 1.00 2.40 C ATOM 630 CG LYS A 49 14.956 1.149 -4.936 1.00 34.03 C ATOM 631 CD LYS A 49 15.768 0.120 -5.687 1.00 40.33 C ATOM 632 CE LYS A 49 15.391 -1.308 -5.352 1.00 4.13 C ATOM 633 NZ LYS A 49 16.226 -2.287 -6.085 1.00 1.31 N ATOM 0 H LYS A 49 11.101 1.266 -5.666 1.00 51.13 H new ATOM 0 HA LYS A 49 12.774 2.447 -3.806 1.00 72.44 H new ATOM 0 HB2 LYS A 49 13.042 0.206 -4.878 1.00 2.40 H new ATOM 0 HB3 LYS A 49 13.415 0.984 -6.404 1.00 2.40 H new ATOM 0 HG2 LYS A 49 15.349 2.145 -5.141 1.00 34.03 H new ATOM 0 HG3 LYS A 49 15.057 0.981 -3.864 1.00 34.03 H new ATOM 0 HD2 LYS A 49 15.641 0.279 -6.758 1.00 40.33 H new ATOM 0 HD3 LYS A 49 16.825 0.270 -5.465 1.00 40.33 H new ATOM 0 HE2 LYS A 49 15.499 -1.470 -4.280 1.00 4.13 H new ATOM 0 HE3 LYS A 49 14.341 -1.473 -5.595 1.00 4.13 H new ATOM 0 HZ1 LYS A 49 15.936 -3.252 -5.828 1.00 1.31 H new ATOM 0 HZ2 LYS A 49 16.104 -2.150 -7.109 1.00 1.31 H new ATOM 0 HZ3 LYS A 49 17.226 -2.147 -5.834 1.00 1.31 H new ATOM 647 N LYS A 50 13.086 3.632 -6.903 1.00 22.42 N ATOM 648 CA LYS A 50 13.614 4.715 -7.720 1.00 12.34 C ATOM 649 C LYS A 50 13.078 6.062 -7.304 1.00 1.22 C ATOM 650 O LYS A 50 13.835 6.992 -7.020 1.00 21.23 O ATOM 651 CB LYS A 50 13.254 4.489 -9.189 1.00 73.30 C ATOM 652 CG LYS A 50 13.874 3.265 -9.826 1.00 23.15 C ATOM 653 CD LYS A 50 15.392 3.318 -9.776 1.00 45.20 C ATOM 654 CE LYS A 50 15.956 4.548 -10.494 1.00 74.05 C ATOM 655 NZ LYS A 50 15.527 4.631 -11.909 1.00 54.13 N ATOM 0 H LYS A 50 12.538 2.949 -7.426 1.00 22.42 H new ATOM 0 HA LYS A 50 14.695 4.713 -7.580 1.00 12.34 H new ATOM 0 HB2 LYS A 50 12.170 4.412 -9.273 1.00 73.30 H new ATOM 0 HB3 LYS A 50 13.556 5.367 -9.759 1.00 73.30 H new ATOM 0 HG2 LYS A 50 13.523 2.370 -9.313 1.00 23.15 H new ATOM 0 HG3 LYS A 50 13.546 3.187 -10.863 1.00 23.15 H new ATOM 0 HD2 LYS A 50 15.719 3.326 -8.736 1.00 45.20 H new ATOM 0 HD3 LYS A 50 15.800 2.416 -10.232 1.00 45.20 H new ATOM 0 HE2 LYS A 50 15.637 5.448 -9.969 1.00 74.05 H new ATOM 0 HE3 LYS A 50 17.045 4.522 -10.450 1.00 74.05 H new ATOM 0 HZ1 LYS A 50 16.029 5.411 -12.379 1.00 54.13 H new ATOM 0 HZ2 LYS A 50 15.748 3.737 -12.392 1.00 54.13 H new ATOM 0 HZ3 LYS A 50 14.502 4.803 -11.952 1.00 54.13 H new ATOM 669 N LYS A 51 11.785 6.155 -7.268 1.00 21.24 N ATOM 670 CA LYS A 51 11.114 7.414 -6.995 1.00 43.42 C ATOM 671 C LYS A 51 11.241 7.906 -5.571 1.00 24.33 C ATOM 672 O LYS A 51 11.443 9.097 -5.345 1.00 63.33 O ATOM 673 CB LYS A 51 9.648 7.369 -7.414 1.00 45.31 C ATOM 674 CG LYS A 51 9.437 7.351 -8.912 1.00 23.21 C ATOM 675 CD LYS A 51 7.962 7.269 -9.256 1.00 1.35 C ATOM 676 CE LYS A 51 7.725 7.469 -10.743 1.00 15.33 C ATOM 677 NZ LYS A 51 8.465 6.501 -11.576 1.00 1.14 N ATOM 0 H LYS A 51 11.155 5.369 -7.425 1.00 21.24 H new ATOM 0 HA LYS A 51 11.644 8.143 -7.607 1.00 43.42 H new ATOM 0 HB2 LYS A 51 9.184 6.483 -6.981 1.00 45.31 H new ATOM 0 HB3 LYS A 51 9.134 8.234 -6.995 1.00 45.31 H new ATOM 0 HG2 LYS A 51 9.867 8.250 -9.353 1.00 23.21 H new ATOM 0 HG3 LYS A 51 9.962 6.500 -9.346 1.00 23.21 H new ATOM 0 HD2 LYS A 51 7.570 6.299 -8.951 1.00 1.35 H new ATOM 0 HD3 LYS A 51 7.414 8.025 -8.694 1.00 1.35 H new ATOM 0 HE2 LYS A 51 6.659 7.380 -10.951 1.00 15.33 H new ATOM 0 HE3 LYS A 51 8.021 8.481 -11.020 1.00 15.33 H new ATOM 0 HZ1 LYS A 51 8.152 6.583 -12.564 1.00 1.14 H new ATOM 0 HZ2 LYS A 51 9.484 6.701 -11.518 1.00 1.14 H new ATOM 0 HZ3 LYS A 51 8.282 5.536 -11.233 1.00 1.14 H new ATOM 691 N PHE A 52 11.147 7.032 -4.619 1.00 55.03 N ATOM 692 CA PHE A 52 11.095 7.491 -3.252 1.00 63.00 C ATOM 693 C PHE A 52 12.368 7.201 -2.465 1.00 40.01 C ATOM 694 O PHE A 52 12.495 7.623 -1.312 1.00 22.11 O ATOM 695 CB PHE A 52 9.870 6.904 -2.556 1.00 73.30 C ATOM 696 CG PHE A 52 8.577 7.218 -3.270 1.00 71.20 C ATOM 697 CD1 PHE A 52 8.081 8.513 -3.303 1.00 54.02 C ATOM 698 CD2 PHE A 52 7.872 6.221 -3.919 1.00 3.15 C ATOM 699 CE1 PHE A 52 6.909 8.805 -3.967 1.00 3.13 C ATOM 700 CE2 PHE A 52 6.699 6.511 -4.587 1.00 34.13 C ATOM 701 CZ PHE A 52 6.217 7.805 -4.609 1.00 62.20 C ATOM 0 H PHE A 52 11.105 6.021 -4.748 1.00 55.03 H new ATOM 0 HA PHE A 52 11.012 8.577 -3.282 1.00 63.00 H new ATOM 0 HB2 PHE A 52 9.984 5.823 -2.483 1.00 73.30 H new ATOM 0 HB3 PHE A 52 9.819 7.289 -1.538 1.00 73.30 H new ATOM 0 HD1 PHE A 52 8.620 9.303 -2.802 1.00 54.02 H new ATOM 0 HD2 PHE A 52 8.242 5.207 -3.903 1.00 3.15 H new ATOM 0 HE1 PHE A 52 6.535 9.818 -3.983 1.00 3.13 H new ATOM 0 HE2 PHE A 52 6.158 5.725 -5.093 1.00 34.13 H new ATOM 0 HZ PHE A 52 5.298 8.031 -5.130 1.00 62.20 H new ATOM 711 N GLY A 53 13.314 6.499 -3.084 1.00 64.43 N ATOM 712 CA GLY A 53 14.546 6.138 -2.391 1.00 55.53 C ATOM 713 C GLY A 53 14.237 5.294 -1.183 1.00 3.52 C ATOM 714 O GLY A 53 14.812 5.478 -0.098 1.00 41.04 O ATOM 0 H GLY A 53 13.253 6.173 -4.049 1.00 64.43 H new ATOM 0 HA2 GLY A 53 15.205 5.592 -3.066 1.00 55.53 H new ATOM 0 HA3 GLY A 53 15.078 7.039 -2.087 1.00 55.53 H new ATOM 718 N GLY A 54 13.308 4.379 -1.378 1.00 75.31 N ATOM 719 CA GLY A 54 12.803 3.569 -0.307 1.00 71.05 C ATOM 720 C GLY A 54 13.810 2.626 0.288 1.00 44.40 C ATOM 721 O GLY A 54 13.825 2.438 1.494 1.00 51.45 O ATOM 0 H GLY A 54 12.887 4.182 -2.286 1.00 75.31 H new ATOM 0 HA2 GLY A 54 12.427 4.223 0.480 1.00 71.05 H new ATOM 0 HA3 GLY A 54 11.955 2.991 -0.674 1.00 71.05 H new ATOM 725 N VAL A 55 14.670 2.067 -0.552 1.00 64.44 N ATOM 726 CA VAL A 55 15.620 1.039 -0.126 1.00 21.54 C ATOM 727 C VAL A 55 16.487 1.479 1.067 1.00 54.00 C ATOM 728 O VAL A 55 16.616 0.743 2.048 1.00 71.54 O ATOM 729 CB VAL A 55 16.501 0.517 -1.308 1.00 55.43 C ATOM 730 CG1 VAL A 55 17.332 1.626 -1.950 1.00 14.55 C ATOM 731 CG2 VAL A 55 17.376 -0.647 -0.873 1.00 62.41 C ATOM 0 H VAL A 55 14.732 2.308 -1.541 1.00 64.44 H new ATOM 0 HA VAL A 55 15.011 0.204 0.221 1.00 21.54 H new ATOM 0 HB VAL A 55 15.815 0.155 -2.074 1.00 55.43 H new ATOM 0 HG11 VAL A 55 17.925 1.211 -2.765 1.00 14.55 H new ATOM 0 HG12 VAL A 55 16.669 2.398 -2.341 1.00 14.55 H new ATOM 0 HG13 VAL A 55 17.996 2.062 -1.203 1.00 14.55 H new ATOM 0 HG21 VAL A 55 17.976 -0.987 -1.717 1.00 62.41 H new ATOM 0 HG22 VAL A 55 18.034 -0.326 -0.066 1.00 62.41 H new ATOM 0 HG23 VAL A 55 16.746 -1.465 -0.523 1.00 62.41 H new ATOM 737 N GLN A 56 17.021 2.686 1.010 1.00 44.24 N ATOM 738 CA GLN A 56 17.876 3.180 2.063 1.00 73.11 C ATOM 739 C GLN A 56 17.110 3.353 3.362 1.00 51.11 C ATOM 740 O GLN A 56 17.577 2.952 4.433 1.00 12.01 O ATOM 741 CB GLN A 56 18.517 4.493 1.654 1.00 31.02 C ATOM 742 CG GLN A 56 19.443 5.078 2.694 1.00 34.43 C ATOM 743 CD GLN A 56 20.612 4.168 3.000 1.00 33.43 C ATOM 744 OE1 GLN A 56 21.662 4.253 2.358 1.00 54.54 O ATOM 745 NE2 GLN A 56 20.448 3.296 3.960 1.00 11.43 N ATOM 0 H GLN A 56 16.874 3.340 0.241 1.00 44.24 H new ATOM 0 HA GLN A 56 18.659 2.440 2.229 1.00 73.11 H new ATOM 0 HB2 GLN A 56 19.076 4.340 0.731 1.00 31.02 H new ATOM 0 HB3 GLN A 56 17.731 5.216 1.435 1.00 31.02 H new ATOM 0 HG2 GLN A 56 19.817 6.040 2.344 1.00 34.43 H new ATOM 0 HG3 GLN A 56 18.883 5.267 3.610 1.00 34.43 H new ATOM 0 HE21 GLN A 56 19.564 3.257 4.468 1.00 11.43 H new ATOM 0 HE22 GLN A 56 21.204 2.655 4.201 1.00 11.43 H new ATOM 753 N GLU A 57 15.948 3.926 3.257 1.00 70.43 N ATOM 754 CA GLU A 57 15.114 4.194 4.400 1.00 31.23 C ATOM 755 C GLU A 57 14.626 2.891 5.046 1.00 45.12 C ATOM 756 O GLU A 57 14.467 2.807 6.262 1.00 54.15 O ATOM 757 CB GLU A 57 13.946 5.077 4.005 1.00 53.45 C ATOM 758 CG GLU A 57 14.344 6.410 3.387 1.00 3.44 C ATOM 759 CD GLU A 57 15.183 7.255 4.312 1.00 22.33 C ATOM 760 OE1 GLU A 57 14.614 8.021 5.114 1.00 32.15 O ATOM 761 OE2 GLU A 57 16.413 7.170 4.248 1.00 13.01 O ATOM 0 H GLU A 57 15.545 4.225 2.369 1.00 70.43 H new ATOM 0 HA GLU A 57 15.711 4.725 5.142 1.00 31.23 H new ATOM 0 HB2 GLU A 57 13.320 4.535 3.296 1.00 53.45 H new ATOM 0 HB3 GLU A 57 13.336 5.268 4.888 1.00 53.45 H new ATOM 0 HG2 GLU A 57 14.898 6.228 2.466 1.00 3.44 H new ATOM 0 HG3 GLU A 57 13.445 6.962 3.114 1.00 3.44 H new ATOM 768 N LEU A 58 14.399 1.879 4.228 1.00 42.40 N ATOM 769 CA LEU A 58 13.934 0.585 4.720 1.00 34.54 C ATOM 770 C LEU A 58 15.027 -0.124 5.491 1.00 40.53 C ATOM 771 O LEU A 58 14.775 -0.694 6.563 1.00 55.42 O ATOM 772 CB LEU A 58 13.426 -0.277 3.578 1.00 64.20 C ATOM 773 CG LEU A 58 12.216 0.278 2.837 1.00 3.23 C ATOM 774 CD1 LEU A 58 11.866 -0.599 1.668 1.00 13.43 C ATOM 775 CD2 LEU A 58 11.029 0.417 3.776 1.00 45.01 C ATOM 0 H LEU A 58 14.528 1.924 3.217 1.00 42.40 H new ATOM 0 HA LEU A 58 13.103 0.762 5.403 1.00 34.54 H new ATOM 0 HB2 LEU A 58 14.236 -0.420 2.863 1.00 64.20 H new ATOM 0 HB3 LEU A 58 13.171 -1.261 3.972 1.00 64.20 H new ATOM 0 HG LEU A 58 12.470 1.269 2.460 1.00 3.23 H new ATOM 0 HD11 LEU A 58 10.999 -0.187 1.151 1.00 13.43 H new ATOM 0 HD12 LEU A 58 12.711 -0.644 0.981 1.00 13.43 H new ATOM 0 HD13 LEU A 58 11.633 -1.603 2.023 1.00 13.43 H new ATOM 0 HD21 LEU A 58 10.175 0.815 3.227 1.00 45.01 H new ATOM 0 HD22 LEU A 58 10.773 -0.560 4.186 1.00 45.01 H new ATOM 0 HD23 LEU A 58 11.286 1.096 4.589 1.00 45.01 H new ATOM 783 N LEU A 59 16.236 -0.063 4.965 1.00 45.53 N ATOM 784 CA LEU A 59 17.403 -0.636 5.629 1.00 73.13 C ATOM 785 C LEU A 59 17.693 0.134 6.911 1.00 44.54 C ATOM 786 O LEU A 59 18.232 -0.399 7.870 1.00 14.43 O ATOM 787 CB LEU A 59 18.624 -0.598 4.699 1.00 15.12 C ATOM 788 CG LEU A 59 18.511 -1.398 3.396 1.00 3.43 C ATOM 789 CD1 LEU A 59 19.758 -1.220 2.553 1.00 14.22 C ATOM 790 CD2 LEU A 59 18.276 -2.873 3.687 1.00 4.31 C ATOM 0 H LEU A 59 16.441 0.382 4.070 1.00 45.53 H new ATOM 0 HA LEU A 59 17.193 -1.677 5.876 1.00 73.13 H new ATOM 0 HB2 LEU A 59 18.828 0.442 4.445 1.00 15.12 H new ATOM 0 HB3 LEU A 59 19.487 -0.967 5.253 1.00 15.12 H new ATOM 0 HG LEU A 59 17.656 -1.018 2.837 1.00 3.43 H new ATOM 0 HD11 LEU A 59 19.660 -1.795 1.632 1.00 14.22 H new ATOM 0 HD12 LEU A 59 19.886 -0.165 2.310 1.00 14.22 H new ATOM 0 HD13 LEU A 59 20.627 -1.572 3.110 1.00 14.22 H new ATOM 0 HD21 LEU A 59 18.199 -3.421 2.748 1.00 4.31 H new ATOM 0 HD22 LEU A 59 19.109 -3.266 4.270 1.00 4.31 H new ATOM 0 HD23 LEU A 59 17.351 -2.990 4.252 1.00 4.31 H new ATOM 798 N ASN A 60 17.317 1.391 6.908 1.00 22.21 N ATOM 799 CA ASN A 60 17.524 2.270 8.044 1.00 31.01 C ATOM 800 C ASN A 60 16.525 1.936 9.176 1.00 44.31 C ATOM 801 O ASN A 60 16.873 1.986 10.352 1.00 63.12 O ATOM 802 CB ASN A 60 17.389 3.741 7.580 1.00 15.23 C ATOM 803 CG ASN A 60 17.771 4.799 8.616 1.00 24.24 C ATOM 804 OD1 ASN A 60 17.642 4.614 9.821 1.00 62.31 O ATOM 805 ND2 ASN A 60 18.240 5.923 8.141 1.00 53.04 N ATOM 0 H ASN A 60 16.856 1.839 6.116 1.00 22.21 H new ATOM 0 HA ASN A 60 18.527 2.123 8.445 1.00 31.01 H new ATOM 0 HB2 ASN A 60 18.011 3.883 6.696 1.00 15.23 H new ATOM 0 HB3 ASN A 60 16.357 3.913 7.275 1.00 15.23 H new ATOM 0 HD21 ASN A 60 18.509 6.673 8.778 1.00 53.04 H new ATOM 0 HD22 ASN A 60 18.337 6.050 7.134 1.00 53.04 H new ATOM 811 N GLN A 61 15.292 1.584 8.821 1.00 70.54 N ATOM 812 CA GLN A 61 14.286 1.248 9.833 1.00 41.32 C ATOM 813 C GLN A 61 14.443 -0.164 10.374 1.00 72.01 C ATOM 814 O GLN A 61 14.313 -0.382 11.575 1.00 71.00 O ATOM 815 CB GLN A 61 12.857 1.427 9.327 1.00 43.33 C ATOM 816 CG GLN A 61 12.467 2.846 8.993 1.00 13.21 C ATOM 817 CD GLN A 61 10.985 2.968 8.695 1.00 72.31 C ATOM 818 OE1 GLN A 61 10.185 3.205 9.591 1.00 50.14 O ATOM 819 NE2 GLN A 61 10.606 2.795 7.462 1.00 11.15 N ATOM 0 H GLN A 61 14.966 1.523 7.857 1.00 70.54 H new ATOM 0 HA GLN A 61 14.464 1.956 10.642 1.00 41.32 H new ATOM 0 HB2 GLN A 61 12.724 0.811 8.437 1.00 43.33 H new ATOM 0 HB3 GLN A 61 12.170 1.047 10.083 1.00 43.33 H new ATOM 0 HG2 GLN A 61 12.725 3.500 9.826 1.00 13.21 H new ATOM 0 HG3 GLN A 61 13.040 3.187 8.131 1.00 13.21 H new ATOM 0 HE21 GLN A 61 11.298 2.599 6.739 1.00 11.15 H new ATOM 0 HE22 GLN A 61 9.617 2.856 7.219 1.00 11.15 H new ATOM 827 N GLN A 62 14.715 -1.102 9.478 1.00 30.35 N ATOM 828 CA GLN A 62 14.788 -2.542 9.802 1.00 14.14 C ATOM 829 C GLN A 62 13.531 -3.040 10.525 1.00 63.24 C ATOM 830 O GLN A 62 13.553 -3.327 11.729 1.00 75.10 O ATOM 831 CB GLN A 62 16.036 -2.912 10.597 1.00 23.10 C ATOM 832 CG GLN A 62 17.321 -2.607 9.893 1.00 24.43 C ATOM 833 CD GLN A 62 18.535 -3.010 10.705 1.00 75.12 C ATOM 834 OE1 GLN A 62 18.507 -3.012 11.935 1.00 34.20 O ATOM 835 NE2 GLN A 62 19.600 -3.351 10.040 1.00 22.44 N ATOM 0 H GLN A 62 14.894 -0.896 8.495 1.00 30.35 H new ATOM 0 HA GLN A 62 14.852 -3.049 8.839 1.00 14.14 H new ATOM 0 HB2 GLN A 62 16.020 -2.379 11.548 1.00 23.10 H new ATOM 0 HB3 GLN A 62 16.004 -3.977 10.828 1.00 23.10 H new ATOM 0 HG2 GLN A 62 17.339 -3.127 8.935 1.00 24.43 H new ATOM 0 HG3 GLN A 62 17.370 -1.540 9.678 1.00 24.43 H new ATOM 0 HE21 GLN A 62 19.590 -3.339 9.020 1.00 22.44 H new ATOM 0 HE22 GLN A 62 20.445 -3.631 10.539 1.00 22.44 H new ATOM 843 N LYS A 63 12.442 -3.088 9.812 1.00 34.01 N ATOM 844 CA LYS A 63 11.195 -3.565 10.361 1.00 24.31 C ATOM 845 C LYS A 63 11.130 -5.073 10.272 1.00 55.43 C ATOM 846 O LYS A 63 11.872 -5.687 9.503 1.00 61.42 O ATOM 847 CB LYS A 63 9.999 -2.918 9.669 1.00 33.33 C ATOM 848 CG LYS A 63 9.916 -1.408 9.837 1.00 74.20 C ATOM 849 CD LYS A 63 9.852 -1.016 11.299 1.00 74.13 C ATOM 850 CE LYS A 63 9.633 0.480 11.459 1.00 22.04 C ATOM 851 NZ LYS A 63 9.587 0.892 12.876 1.00 43.02 N ATOM 0 H LYS A 63 12.389 -2.799 8.835 1.00 34.01 H new ATOM 0 HA LYS A 63 11.151 -3.279 11.412 1.00 24.31 H new ATOM 0 HB2 LYS A 63 10.041 -3.151 8.605 1.00 33.33 H new ATOM 0 HB3 LYS A 63 9.084 -3.365 10.058 1.00 33.33 H new ATOM 0 HG2 LYS A 63 10.784 -0.941 9.371 1.00 74.20 H new ATOM 0 HG3 LYS A 63 9.034 -1.031 9.319 1.00 74.20 H new ATOM 0 HD2 LYS A 63 9.043 -1.559 11.789 1.00 74.13 H new ATOM 0 HD3 LYS A 63 10.777 -1.306 11.797 1.00 74.13 H new ATOM 0 HE2 LYS A 63 10.434 1.018 10.952 1.00 22.04 H new ATOM 0 HE3 LYS A 63 8.700 0.763 10.970 1.00 22.04 H new ATOM 0 HZ1 LYS A 63 9.436 1.919 12.934 1.00 43.02 H new ATOM 0 HZ2 LYS A 63 8.806 0.400 13.356 1.00 43.02 H new ATOM 0 HZ3 LYS A 63 10.486 0.648 13.338 1.00 43.02 H new ATOM 865 N LYS A 64 10.267 -5.661 11.043 1.00 61.13 N ATOM 866 CA LYS A 64 10.184 -7.094 11.143 1.00 12.51 C ATOM 867 C LYS A 64 8.870 -7.636 10.590 1.00 1.43 C ATOM 868 O LYS A 64 7.951 -6.877 10.300 1.00 1.35 O ATOM 869 CB LYS A 64 10.399 -7.508 12.588 1.00 1.53 C ATOM 870 CG LYS A 64 11.768 -7.131 13.112 1.00 24.51 C ATOM 871 CD LYS A 64 11.916 -7.449 14.576 1.00 72.11 C ATOM 872 CE LYS A 64 13.290 -7.050 15.059 1.00 62.24 C ATOM 873 NZ LYS A 64 13.465 -7.278 16.503 1.00 71.42 N ATOM 0 H LYS A 64 9.595 -5.161 11.625 1.00 61.13 H new ATOM 0 HA LYS A 64 10.970 -7.531 10.527 1.00 12.51 H new ATOM 0 HB2 LYS A 64 9.636 -7.042 13.211 1.00 1.53 H new ATOM 0 HB3 LYS A 64 10.267 -8.586 12.675 1.00 1.53 H new ATOM 0 HG2 LYS A 64 12.533 -7.663 12.546 1.00 24.51 H new ATOM 0 HG3 LYS A 64 11.937 -6.066 12.953 1.00 24.51 H new ATOM 0 HD2 LYS A 64 11.154 -6.922 15.149 1.00 72.11 H new ATOM 0 HD3 LYS A 64 11.759 -8.515 14.742 1.00 72.11 H new ATOM 0 HE2 LYS A 64 14.043 -7.616 14.511 1.00 62.24 H new ATOM 0 HE3 LYS A 64 13.458 -5.996 14.837 1.00 62.24 H new ATOM 0 HZ1 LYS A 64 14.423 -6.989 16.786 1.00 71.42 H new ATOM 0 HZ2 LYS A 64 12.764 -6.719 17.030 1.00 71.42 H new ATOM 0 HZ3 LYS A 64 13.331 -8.288 16.714 1.00 71.42 H new ATOM 887 N SER A 65 8.810 -8.951 10.450 1.00 70.32 N ATOM 888 CA SER A 65 7.678 -9.657 9.855 1.00 23.24 C ATOM 889 C SER A 65 6.362 -9.393 10.606 1.00 73.32 C ATOM 890 O SER A 65 6.279 -9.584 11.829 1.00 70.11 O ATOM 891 CB SER A 65 7.983 -11.150 9.862 1.00 53.40 C ATOM 892 OG SER A 65 9.224 -11.417 9.212 1.00 62.54 O ATOM 0 H SER A 65 9.560 -9.573 10.752 1.00 70.32 H new ATOM 0 HA SER A 65 7.543 -9.290 8.838 1.00 23.24 H new ATOM 0 HB2 SER A 65 8.020 -11.513 10.889 1.00 53.40 H new ATOM 0 HB3 SER A 65 7.181 -11.692 9.361 1.00 53.40 H new ATOM 0 HG SER A 65 9.402 -12.381 9.229 1.00 62.54 H new ATOM 898 N GLY A 66 5.344 -8.966 9.875 1.00 13.24 N ATOM 899 CA GLY A 66 4.054 -8.710 10.470 1.00 22.44 C ATOM 900 C GLY A 66 3.964 -7.312 11.019 1.00 10.03 C ATOM 901 O GLY A 66 3.199 -7.047 11.953 1.00 71.43 O ATOM 0 H GLY A 66 5.392 -8.792 8.871 1.00 13.24 H new ATOM 0 HA2 GLY A 66 3.273 -8.860 9.725 1.00 22.44 H new ATOM 0 HA3 GLY A 66 3.873 -9.428 11.270 1.00 22.44 H new ATOM 905 N GLU A 67 4.755 -6.431 10.455 1.00 45.54 N ATOM 906 CA GLU A 67 4.806 -5.042 10.841 1.00 11.43 C ATOM 907 C GLU A 67 4.898 -4.192 9.582 1.00 23.00 C ATOM 908 O GLU A 67 5.084 -4.732 8.484 1.00 11.45 O ATOM 909 CB GLU A 67 5.988 -4.778 11.804 1.00 12.42 C ATOM 910 CG GLU A 67 5.880 -5.549 13.125 1.00 40.32 C ATOM 911 CD GLU A 67 7.008 -5.277 14.080 1.00 1.05 C ATOM 912 OE1 GLU A 67 6.931 -4.292 14.852 1.00 32.32 O ATOM 913 OE2 GLU A 67 7.986 -6.043 14.100 1.00 72.23 O ATOM 0 H GLU A 67 5.396 -6.666 9.697 1.00 45.54 H new ATOM 0 HA GLU A 67 3.900 -4.774 11.384 1.00 11.43 H new ATOM 0 HB2 GLU A 67 6.919 -5.051 11.308 1.00 12.42 H new ATOM 0 HB3 GLU A 67 6.041 -3.711 12.018 1.00 12.42 H new ATOM 0 HG2 GLU A 67 4.937 -5.293 13.608 1.00 40.32 H new ATOM 0 HG3 GLU A 67 5.848 -6.617 12.910 1.00 40.32 H new ATOM 920 N VAL A 68 4.784 -2.895 9.711 1.00 64.25 N ATOM 921 CA VAL A 68 4.760 -2.049 8.540 1.00 51.33 C ATOM 922 C VAL A 68 5.849 -0.983 8.591 1.00 24.42 C ATOM 923 O VAL A 68 6.101 -0.365 9.636 1.00 2.10 O ATOM 924 CB VAL A 68 3.351 -1.387 8.343 1.00 24.22 C ATOM 925 CG1 VAL A 68 2.988 -0.474 9.505 1.00 43.11 C ATOM 926 CG2 VAL A 68 3.263 -0.636 7.025 1.00 12.51 C ATOM 0 H VAL A 68 4.707 -2.404 10.602 1.00 64.25 H new ATOM 0 HA VAL A 68 4.960 -2.689 7.681 1.00 51.33 H new ATOM 0 HB VAL A 68 2.624 -2.199 8.317 1.00 24.22 H new ATOM 0 HG11 VAL A 68 2.006 -0.035 9.330 1.00 43.11 H new ATOM 0 HG12 VAL A 68 2.968 -1.052 10.429 1.00 43.11 H new ATOM 0 HG13 VAL A 68 3.730 0.320 9.589 1.00 43.11 H new ATOM 0 HG21 VAL A 68 2.273 -0.192 6.925 1.00 12.51 H new ATOM 0 HG22 VAL A 68 4.018 0.150 7.003 1.00 12.51 H new ATOM 0 HG23 VAL A 68 3.436 -1.327 6.200 1.00 12.51 H new ATOM 932 N ALA A 69 6.511 -0.802 7.487 1.00 73.53 N ATOM 933 CA ALA A 69 7.500 0.222 7.353 1.00 30.32 C ATOM 934 C ALA A 69 6.912 1.342 6.531 1.00 13.52 C ATOM 935 O ALA A 69 6.464 1.121 5.415 1.00 53.42 O ATOM 936 CB ALA A 69 8.754 -0.324 6.684 1.00 22.51 C ATOM 0 H ALA A 69 6.378 -1.366 6.648 1.00 73.53 H new ATOM 0 HA ALA A 69 7.785 0.590 8.339 1.00 30.32 H new ATOM 0 HB1 ALA A 69 9.493 0.472 6.592 1.00 22.51 H new ATOM 0 HB2 ALA A 69 9.165 -1.133 7.287 1.00 22.51 H new ATOM 0 HB3 ALA A 69 8.503 -0.702 5.693 1.00 22.51 H new ATOM 942 N VAL A 70 6.889 2.522 7.072 1.00 22.02 N ATOM 943 CA VAL A 70 6.331 3.644 6.362 1.00 2.14 C ATOM 944 C VAL A 70 7.363 4.719 6.180 1.00 71.33 C ATOM 945 O VAL A 70 8.202 4.958 7.061 1.00 42.45 O ATOM 946 CB VAL A 70 5.051 4.199 7.051 1.00 32.30 C ATOM 947 CG1 VAL A 70 5.316 4.593 8.493 1.00 31.55 C ATOM 948 CG2 VAL A 70 4.455 5.371 6.280 1.00 51.45 C ATOM 0 H VAL A 70 7.249 2.738 8.002 1.00 22.02 H new ATOM 0 HA VAL A 70 6.026 3.289 5.378 1.00 2.14 H new ATOM 0 HB VAL A 70 4.321 3.390 7.050 1.00 32.30 H new ATOM 0 HG11 VAL A 70 4.399 4.976 8.940 1.00 31.55 H new ATOM 0 HG12 VAL A 70 5.656 3.721 9.052 1.00 31.55 H new ATOM 0 HG13 VAL A 70 6.084 5.366 8.524 1.00 31.55 H new ATOM 0 HG21 VAL A 70 3.563 5.729 6.794 1.00 51.45 H new ATOM 0 HG22 VAL A 70 5.187 6.176 6.219 1.00 51.45 H new ATOM 0 HG23 VAL A 70 4.188 5.047 5.274 1.00 51.45 H new ATOM 954 N LEU A 71 7.334 5.325 5.036 1.00 72.20 N ATOM 955 CA LEU A 71 8.248 6.365 4.712 1.00 32.13 C ATOM 956 C LEU A 71 7.462 7.576 4.317 1.00 31.51 C ATOM 957 O LEU A 71 6.528 7.464 3.509 1.00 42.12 O ATOM 958 CB LEU A 71 9.104 5.952 3.513 1.00 52.32 C ATOM 959 CG LEU A 71 9.845 4.624 3.596 1.00 4.41 C ATOM 960 CD1 LEU A 71 10.668 4.409 2.346 1.00 0.14 C ATOM 961 CD2 LEU A 71 10.720 4.564 4.818 1.00 72.41 C ATOM 0 H LEU A 71 6.667 5.107 4.295 1.00 72.20 H new ATOM 0 HA LEU A 71 8.886 6.567 5.572 1.00 32.13 H new ATOM 0 HB2 LEU A 71 8.459 5.922 2.635 1.00 52.32 H new ATOM 0 HB3 LEU A 71 9.841 6.737 3.341 1.00 52.32 H new ATOM 0 HG LEU A 71 9.106 3.827 3.676 1.00 4.41 H new ATOM 0 HD11 LEU A 71 11.194 3.457 2.416 1.00 0.14 H new ATOM 0 HD12 LEU A 71 10.012 4.398 1.476 1.00 0.14 H new ATOM 0 HD13 LEU A 71 11.393 5.217 2.244 1.00 0.14 H new ATOM 0 HD21 LEU A 71 11.236 3.604 4.849 1.00 72.41 H new ATOM 0 HD22 LEU A 71 11.454 5.369 4.780 1.00 72.41 H new ATOM 0 HD23 LEU A 71 10.105 4.675 5.711 1.00 72.41 H new ATOM 969 N LYS A 72 7.782 8.717 4.879 1.00 73.41 N ATOM 970 CA LYS A 72 7.168 9.919 4.419 1.00 12.41 C ATOM 971 C LYS A 72 7.969 10.363 3.230 1.00 32.43 C ATOM 972 O LYS A 72 9.136 10.707 3.354 1.00 14.33 O ATOM 973 CB LYS A 72 7.166 10.999 5.484 1.00 50.31 C ATOM 974 CG LYS A 72 6.424 12.268 5.068 1.00 50.12 C ATOM 975 CD LYS A 72 6.419 13.310 6.175 1.00 52.44 C ATOM 976 CE LYS A 72 7.822 13.799 6.516 1.00 11.10 C ATOM 977 NZ LYS A 72 8.476 14.444 5.359 1.00 73.33 N ATOM 0 H LYS A 72 8.452 8.829 5.640 1.00 73.41 H new ATOM 0 HA LYS A 72 6.123 9.740 4.167 1.00 12.41 H new ATOM 0 HB2 LYS A 72 6.710 10.602 6.391 1.00 50.31 H new ATOM 0 HB3 LYS A 72 8.196 11.255 5.731 1.00 50.31 H new ATOM 0 HG2 LYS A 72 6.892 12.687 4.177 1.00 50.12 H new ATOM 0 HG3 LYS A 72 5.397 12.017 4.801 1.00 50.12 H new ATOM 0 HD2 LYS A 72 5.805 14.158 5.870 1.00 52.44 H new ATOM 0 HD3 LYS A 72 5.957 12.887 7.067 1.00 52.44 H new ATOM 0 HE2 LYS A 72 7.769 14.506 7.344 1.00 11.10 H new ATOM 0 HE3 LYS A 72 8.428 12.958 6.853 1.00 11.10 H new ATOM 0 HZ1 LYS A 72 9.324 14.953 5.679 1.00 73.33 H new ATOM 0 HZ2 LYS A 72 8.749 13.719 4.665 1.00 73.33 H new ATOM 0 HZ3 LYS A 72 7.816 15.115 4.917 1.00 73.33 H new ATOM 991 N ARG A 73 7.374 10.323 2.097 1.00 53.44 N ATOM 992 CA ARG A 73 8.072 10.576 0.854 1.00 11.14 C ATOM 993 C ARG A 73 7.283 11.541 0.015 1.00 40.31 C ATOM 994 O ARG A 73 6.149 11.245 -0.339 1.00 65.14 O ATOM 995 CB ARG A 73 8.205 9.272 0.075 1.00 15.42 C ATOM 996 CG ARG A 73 8.948 8.123 0.763 1.00 72.21 C ATOM 997 CD ARG A 73 10.458 8.337 0.870 1.00 71.53 C ATOM 998 NE ARG A 73 10.867 9.402 1.781 1.00 3.32 N ATOM 999 CZ ARG A 73 12.135 9.791 1.954 1.00 45.54 C ATOM 1000 NH1 ARG A 73 13.096 9.289 1.175 1.00 22.44 N ATOM 1001 NH2 ARG A 73 12.429 10.696 2.879 1.00 14.32 N ATOM 0 H ARG A 73 6.382 10.114 1.985 1.00 53.44 H new ATOM 0 HA ARG A 73 9.055 10.990 1.079 1.00 11.14 H new ATOM 0 HB2 ARG A 73 7.203 8.924 -0.177 1.00 15.42 H new ATOM 0 HB3 ARG A 73 8.713 9.489 -0.865 1.00 15.42 H new ATOM 0 HG2 ARG A 73 8.539 7.986 1.764 1.00 72.21 H new ATOM 0 HG3 ARG A 73 8.760 7.201 0.213 1.00 72.21 H new ATOM 0 HD2 ARG A 73 10.920 7.405 1.194 1.00 71.53 H new ATOM 0 HD3 ARG A 73 10.850 8.558 -0.123 1.00 71.53 H new ATOM 0 HE ARG A 73 10.142 9.878 2.318 1.00 3.32 H new ATOM 0 HH11 ARG A 73 12.862 8.611 0.450 1.00 22.44 H new ATOM 0 HH12 ARG A 73 14.064 9.584 1.305 1.00 22.44 H new ATOM 0 HH21 ARG A 73 11.689 11.094 3.457 1.00 14.32 H new ATOM 0 HH22 ARG A 73 13.395 10.994 3.012 1.00 14.32 H new ATOM 1013 N ASP A 74 7.869 12.699 -0.281 1.00 20.32 N ATOM 1014 CA ASP A 74 7.229 13.749 -1.131 1.00 72.24 C ATOM 1015 C ASP A 74 5.890 14.201 -0.500 1.00 73.12 C ATOM 1016 O ASP A 74 4.994 14.696 -1.161 1.00 13.31 O ATOM 1017 CB ASP A 74 7.025 13.183 -2.583 1.00 21.52 C ATOM 1018 CG ASP A 74 6.427 14.174 -3.591 1.00 21.33 C ATOM 1019 OD1 ASP A 74 7.148 15.092 -4.046 1.00 62.50 O ATOM 1020 OD2 ASP A 74 5.248 14.016 -3.984 1.00 13.05 O ATOM 0 H ASP A 74 8.799 12.954 0.052 1.00 20.32 H new ATOM 0 HA ASP A 74 7.874 14.626 -1.191 1.00 72.24 H new ATOM 0 HB2 ASP A 74 7.988 12.841 -2.961 1.00 21.52 H new ATOM 0 HB3 ASP A 74 6.376 12.309 -2.528 1.00 21.52 H new ATOM 1025 N GLY A 75 5.814 14.109 0.814 1.00 34.45 N ATOM 1026 CA GLY A 75 4.604 14.485 1.516 1.00 42.34 C ATOM 1027 C GLY A 75 3.590 13.360 1.580 1.00 21.35 C ATOM 1028 O GLY A 75 2.521 13.508 2.180 1.00 44.11 O ATOM 0 H GLY A 75 6.571 13.779 1.413 1.00 34.45 H new ATOM 0 HA2 GLY A 75 4.859 14.797 2.529 1.00 42.34 H new ATOM 0 HA3 GLY A 75 4.154 15.346 1.021 1.00 42.34 H new ATOM 1032 N ARG A 76 3.926 12.234 0.994 1.00 54.24 N ATOM 1033 CA ARG A 76 3.045 11.090 0.990 1.00 73.02 C ATOM 1034 C ARG A 76 3.572 10.088 1.973 1.00 3.44 C ATOM 1035 O ARG A 76 4.671 10.243 2.509 1.00 14.04 O ATOM 1036 CB ARG A 76 3.078 10.365 -0.355 1.00 21.40 C ATOM 1037 CG ARG A 76 2.809 11.167 -1.594 1.00 74.14 C ATOM 1038 CD ARG A 76 2.845 10.224 -2.780 1.00 55.03 C ATOM 1039 NE ARG A 76 2.681 10.886 -4.066 1.00 22.31 N ATOM 1040 CZ ARG A 76 1.843 10.468 -5.026 1.00 23.25 C ATOM 1041 NH1 ARG A 76 0.923 9.533 -4.760 1.00 22.54 N ATOM 1042 NH2 ARG A 76 1.890 11.021 -6.236 1.00 62.12 N ATOM 0 H ARG A 76 4.811 12.086 0.510 1.00 54.24 H new ATOM 0 HA ARG A 76 2.041 11.448 1.216 1.00 73.02 H new ATOM 0 HB2 ARG A 76 4.060 9.904 -0.462 1.00 21.40 H new ATOM 0 HB3 ARG A 76 2.349 9.556 -0.316 1.00 21.40 H new ATOM 0 HG2 ARG A 76 1.838 11.658 -1.527 1.00 74.14 H new ATOM 0 HG3 ARG A 76 3.556 11.953 -1.709 1.00 74.14 H new ATOM 0 HD2 ARG A 76 3.794 9.688 -2.777 1.00 55.03 H new ATOM 0 HD3 ARG A 76 2.058 9.479 -2.663 1.00 55.03 H new ATOM 0 HE ARG A 76 3.239 11.720 -4.248 1.00 22.31 H new ATOM 0 HH11 ARG A 76 0.857 9.135 -3.823 1.00 22.54 H new ATOM 0 HH12 ARG A 76 0.288 9.219 -5.494 1.00 22.54 H new ATOM 0 HH21 ARG A 76 2.563 11.762 -6.432 1.00 62.12 H new ATOM 0 HH22 ARG A 76 1.253 10.704 -6.967 1.00 62.12 H new ATOM 1054 N TYR A 77 2.809 9.076 2.201 1.00 75.41 N ATOM 1055 CA TYR A 77 3.249 7.970 2.967 1.00 53.24 C ATOM 1056 C TYR A 77 3.318 6.762 2.107 1.00 33.31 C ATOM 1057 O TYR A 77 2.430 6.519 1.283 1.00 15.42 O ATOM 1058 CB TYR A 77 2.392 7.730 4.190 1.00 43.20 C ATOM 1059 CG TYR A 77 2.604 8.758 5.256 1.00 62.42 C ATOM 1060 CD1 TYR A 77 3.828 8.849 5.888 1.00 3.40 C ATOM 1061 CD2 TYR A 77 1.598 9.619 5.644 1.00 70.42 C ATOM 1062 CE1 TYR A 77 4.054 9.759 6.876 1.00 14.43 C ATOM 1063 CE2 TYR A 77 1.811 10.548 6.638 1.00 40.43 C ATOM 1064 CZ TYR A 77 3.046 10.613 7.252 1.00 71.23 C ATOM 1065 OH TYR A 77 3.260 11.526 8.259 1.00 61.35 O ATOM 0 H TYR A 77 1.853 8.995 1.856 1.00 75.41 H new ATOM 0 HA TYR A 77 4.247 8.199 3.341 1.00 53.24 H new ATOM 0 HB2 TYR A 77 1.342 7.727 3.898 1.00 43.20 H new ATOM 0 HB3 TYR A 77 2.613 6.742 4.595 1.00 43.20 H new ATOM 0 HD1 TYR A 77 4.625 8.183 5.592 1.00 3.40 H new ATOM 0 HD2 TYR A 77 0.633 9.564 5.163 1.00 70.42 H new ATOM 0 HE1 TYR A 77 5.018 9.809 7.360 1.00 14.43 H new ATOM 0 HE2 TYR A 77 1.019 11.220 6.935 1.00 40.43 H new ATOM 0 HH TYR A 77 2.543 12.194 8.252 1.00 61.35 H new ATOM 1075 N ILE A 78 4.368 6.024 2.254 1.00 44.10 N ATOM 1076 CA ILE A 78 4.561 4.850 1.472 1.00 41.13 C ATOM 1077 C ILE A 78 4.650 3.703 2.441 1.00 12.24 C ATOM 1078 O ILE A 78 5.547 3.671 3.289 1.00 45.02 O ATOM 1079 CB ILE A 78 5.866 4.923 0.619 1.00 21.51 C ATOM 1080 CG1 ILE A 78 5.944 6.249 -0.186 1.00 51.44 C ATOM 1081 CG2 ILE A 78 5.935 3.733 -0.337 1.00 22.25 C ATOM 1082 CD1 ILE A 78 4.823 6.465 -1.185 1.00 22.42 C ATOM 0 H ILE A 78 5.116 6.218 2.920 1.00 44.10 H new ATOM 0 HA ILE A 78 3.736 4.732 0.769 1.00 41.13 H new ATOM 0 HB ILE A 78 6.714 4.891 1.303 1.00 21.51 H new ATOM 0 HG12 ILE A 78 5.948 7.082 0.517 1.00 51.44 H new ATOM 0 HG13 ILE A 78 6.894 6.276 -0.719 1.00 51.44 H new ATOM 0 HG21 ILE A 78 6.849 3.793 -0.928 1.00 22.25 H new ATOM 0 HG22 ILE A 78 5.933 2.806 0.236 1.00 22.25 H new ATOM 0 HG23 ILE A 78 5.072 3.750 -1.002 1.00 22.25 H new ATOM 0 HD11 ILE A 78 4.968 7.417 -1.695 1.00 22.42 H new ATOM 0 HD12 ILE A 78 4.827 5.657 -1.917 1.00 22.42 H new ATOM 0 HD13 ILE A 78 3.867 6.476 -0.662 1.00 22.42 H new ATOM 1089 N TYR A 79 3.725 2.801 2.343 1.00 73.43 N ATOM 1090 CA TYR A 79 3.631 1.706 3.265 1.00 53.13 C ATOM 1091 C TYR A 79 4.214 0.444 2.683 1.00 40.40 C ATOM 1092 O TYR A 79 3.853 0.013 1.573 1.00 51.25 O ATOM 1093 CB TYR A 79 2.181 1.468 3.671 1.00 32.10 C ATOM 1094 CG TYR A 79 1.516 2.651 4.332 1.00 34.24 C ATOM 1095 CD1 TYR A 79 1.655 2.870 5.691 1.00 74.52 C ATOM 1096 CD2 TYR A 79 0.734 3.539 3.601 1.00 64.14 C ATOM 1097 CE1 TYR A 79 1.037 3.935 6.305 1.00 11.43 C ATOM 1098 CE2 TYR A 79 0.117 4.611 4.210 1.00 11.14 C ATOM 1099 CZ TYR A 79 0.271 4.801 5.561 1.00 55.54 C ATOM 1100 OH TYR A 79 -0.354 5.864 6.180 1.00 33.33 O ATOM 0 H TYR A 79 3.008 2.801 1.618 1.00 73.43 H new ATOM 0 HA TYR A 79 4.209 1.973 4.149 1.00 53.13 H new ATOM 0 HB2 TYR A 79 1.609 1.193 2.785 1.00 32.10 H new ATOM 0 HB3 TYR A 79 2.142 0.618 4.352 1.00 32.10 H new ATOM 0 HD1 TYR A 79 2.258 2.194 6.279 1.00 74.52 H new ATOM 0 HD2 TYR A 79 0.608 3.386 2.539 1.00 64.14 H new ATOM 0 HE1 TYR A 79 1.153 4.090 7.367 1.00 11.43 H new ATOM 0 HE2 TYR A 79 -0.483 5.296 3.629 1.00 11.14 H new ATOM 0 HH TYR A 79 -1.269 5.610 6.421 1.00 33.33 H new ATOM 1110 N TYR A 80 5.118 -0.123 3.406 1.00 53.52 N ATOM 1111 CA TYR A 80 5.724 -1.364 3.060 1.00 34.21 C ATOM 1112 C TYR A 80 5.305 -2.397 4.065 1.00 64.51 C ATOM 1113 O TYR A 80 5.726 -2.350 5.230 1.00 1.02 O ATOM 1114 CB TYR A 80 7.245 -1.237 3.051 1.00 53.22 C ATOM 1115 CG TYR A 80 7.777 -0.278 2.022 1.00 53.30 C ATOM 1116 CD1 TYR A 80 7.874 1.080 2.284 1.00 31.12 C ATOM 1117 CD2 TYR A 80 8.184 -0.734 0.787 1.00 41.20 C ATOM 1118 CE1 TYR A 80 8.358 1.946 1.337 1.00 35.22 C ATOM 1119 CE2 TYR A 80 8.670 0.122 -0.160 1.00 51.24 C ATOM 1120 CZ TYR A 80 8.757 1.462 0.115 1.00 33.51 C ATOM 1121 OH TYR A 80 9.231 2.322 -0.841 1.00 72.20 O ATOM 0 H TYR A 80 5.466 0.275 4.279 1.00 53.52 H new ATOM 0 HA TYR A 80 5.403 -1.658 2.061 1.00 34.21 H new ATOM 0 HB2 TYR A 80 7.577 -0.915 4.038 1.00 53.22 H new ATOM 0 HB3 TYR A 80 7.680 -2.221 2.874 1.00 53.22 H new ATOM 0 HD1 TYR A 80 7.564 1.461 3.246 1.00 31.12 H new ATOM 0 HD2 TYR A 80 8.117 -1.789 0.564 1.00 41.20 H new ATOM 0 HE1 TYR A 80 8.425 3.002 1.551 1.00 35.22 H new ATOM 0 HE2 TYR A 80 8.985 -0.256 -1.122 1.00 51.24 H new ATOM 0 HH TYR A 80 9.470 1.817 -1.646 1.00 72.20 H new ATOM 1131 N LEU A 81 4.454 -3.282 3.645 1.00 4.41 N ATOM 1132 CA LEU A 81 3.985 -4.344 4.495 1.00 62.14 C ATOM 1133 C LEU A 81 5.060 -5.408 4.540 1.00 63.03 C ATOM 1134 O LEU A 81 5.373 -6.006 3.509 1.00 11.12 O ATOM 1135 CB LEU A 81 2.671 -4.923 3.937 1.00 70.44 C ATOM 1136 CG LEU A 81 1.521 -3.917 3.721 1.00 10.51 C ATOM 1137 CD1 LEU A 81 0.295 -4.614 3.165 1.00 52.42 C ATOM 1138 CD2 LEU A 81 1.167 -3.192 5.010 1.00 42.22 C ATOM 0 H LEU A 81 4.062 -3.292 2.703 1.00 4.41 H new ATOM 0 HA LEU A 81 3.785 -3.973 5.500 1.00 62.14 H new ATOM 0 HB2 LEU A 81 2.887 -5.406 2.984 1.00 70.44 H new ATOM 0 HB3 LEU A 81 2.323 -5.700 4.617 1.00 70.44 H new ATOM 0 HG LEU A 81 1.866 -3.178 2.998 1.00 10.51 H new ATOM 0 HD11 LEU A 81 -0.503 -3.886 3.021 1.00 52.42 H new ATOM 0 HD12 LEU A 81 0.542 -5.077 2.209 1.00 52.42 H new ATOM 0 HD13 LEU A 81 -0.036 -5.381 3.865 1.00 52.42 H new ATOM 0 HD21 LEU A 81 0.354 -2.491 4.822 1.00 42.22 H new ATOM 0 HD22 LEU A 81 0.855 -3.917 5.761 1.00 42.22 H new ATOM 0 HD23 LEU A 81 2.039 -2.647 5.372 1.00 42.22 H new ATOM 1146 N ILE A 82 5.648 -5.613 5.707 1.00 43.35 N ATOM 1147 CA ILE A 82 6.745 -6.553 5.858 1.00 22.01 C ATOM 1148 C ILE A 82 6.202 -7.946 6.121 1.00 10.15 C ATOM 1149 O ILE A 82 5.648 -8.231 7.191 1.00 61.54 O ATOM 1150 CB ILE A 82 7.712 -6.145 7.003 1.00 52.45 C ATOM 1151 CG1 ILE A 82 8.242 -4.710 6.799 1.00 42.43 C ATOM 1152 CG2 ILE A 82 8.876 -7.129 7.093 1.00 54.24 C ATOM 1153 CD1 ILE A 82 9.018 -4.493 5.510 1.00 65.23 C ATOM 0 H ILE A 82 5.381 -5.137 6.569 1.00 43.35 H new ATOM 0 HA ILE A 82 7.311 -6.544 4.927 1.00 22.01 H new ATOM 0 HB ILE A 82 7.154 -6.171 7.939 1.00 52.45 H new ATOM 0 HG12 ILE A 82 7.398 -4.020 6.819 1.00 42.43 H new ATOM 0 HG13 ILE A 82 8.885 -4.452 7.641 1.00 42.43 H new ATOM 0 HG21 ILE A 82 9.544 -6.829 7.900 1.00 54.24 H new ATOM 0 HG22 ILE A 82 8.492 -8.129 7.293 1.00 54.24 H new ATOM 0 HG23 ILE A 82 9.424 -7.132 6.151 1.00 54.24 H new ATOM 0 HD11 ILE A 82 9.350 -3.456 5.455 1.00 65.23 H new ATOM 0 HD12 ILE A 82 9.885 -5.153 5.492 1.00 65.23 H new ATOM 0 HD13 ILE A 82 8.376 -4.714 4.657 1.00 65.23 H new ATOM 1160 N THR A 83 6.365 -8.795 5.157 1.00 43.04 N ATOM 1161 CA THR A 83 5.837 -10.125 5.200 1.00 24.12 C ATOM 1162 C THR A 83 6.688 -11.134 5.956 1.00 11.33 C ATOM 1163 O THR A 83 6.437 -11.424 7.125 1.00 72.34 O ATOM 1164 CB THR A 83 5.579 -10.611 3.792 1.00 3.32 C ATOM 1165 OG1 THR A 83 6.726 -10.299 2.958 1.00 41.24 O ATOM 1166 CG2 THR A 83 4.337 -9.984 3.246 1.00 35.43 C ATOM 0 H THR A 83 6.878 -8.581 4.302 1.00 43.04 H new ATOM 0 HA THR A 83 4.910 -10.057 5.769 1.00 24.12 H new ATOM 0 HB THR A 83 5.433 -11.691 3.801 1.00 3.32 H new ATOM 0 HG1 THR A 83 6.763 -9.332 2.802 1.00 41.24 H new ATOM 0 HG21 THR A 83 4.164 -10.343 2.232 1.00 35.43 H new ATOM 0 HG22 THR A 83 3.488 -10.251 3.875 1.00 35.43 H new ATOM 0 HG23 THR A 83 4.452 -8.900 3.232 1.00 35.43 H new ATOM 1172 N LYS A 84 7.668 -11.665 5.282 1.00 1.21 N ATOM 1173 CA LYS A 84 8.533 -12.674 5.831 1.00 3.52 C ATOM 1174 C LYS A 84 9.932 -12.158 5.926 1.00 43.22 C ATOM 1175 O LYS A 84 10.216 -11.042 5.486 1.00 43.24 O ATOM 1176 CB LYS A 84 8.505 -13.935 4.963 1.00 54.32 C ATOM 1177 CG LYS A 84 7.184 -14.690 4.952 1.00 43.33 C ATOM 1178 CD LYS A 84 6.863 -15.287 6.321 1.00 52.21 C ATOM 1179 CE LYS A 84 5.598 -16.128 6.269 1.00 4.13 C ATOM 1180 NZ LYS A 84 5.306 -16.791 7.556 1.00 75.12 N ATOM 0 H LYS A 84 7.893 -11.406 4.321 1.00 1.21 H new ATOM 0 HA LYS A 84 8.176 -12.926 6.830 1.00 3.52 H new ATOM 0 HB2 LYS A 84 8.753 -13.656 3.939 1.00 54.32 H new ATOM 0 HB3 LYS A 84 9.287 -14.611 5.308 1.00 54.32 H new ATOM 0 HG2 LYS A 84 6.382 -14.016 4.652 1.00 43.33 H new ATOM 0 HG3 LYS A 84 7.226 -15.486 4.209 1.00 43.33 H new ATOM 0 HD2 LYS A 84 7.698 -15.901 6.658 1.00 52.21 H new ATOM 0 HD3 LYS A 84 6.741 -14.486 7.051 1.00 52.21 H new ATOM 0 HE2 LYS A 84 4.756 -15.495 5.991 1.00 4.13 H new ATOM 0 HE3 LYS A 84 5.700 -16.883 5.490 1.00 4.13 H new ATOM 0 HZ1 LYS A 84 4.299 -17.046 7.594 1.00 75.12 H new ATOM 0 HZ2 LYS A 84 5.885 -17.651 7.643 1.00 75.12 H new ATOM 0 HZ3 LYS A 84 5.529 -16.143 8.339 1.00 75.12 H new ATOM 1194 N LYS A 85 10.802 -12.969 6.484 1.00 40.21 N ATOM 1195 CA LYS A 85 12.191 -12.630 6.642 1.00 33.41 C ATOM 1196 C LYS A 85 12.866 -12.431 5.287 1.00 5.53 C ATOM 1197 O LYS A 85 13.609 -11.495 5.099 1.00 31.50 O ATOM 1198 CB LYS A 85 12.912 -13.711 7.452 1.00 53.43 C ATOM 1199 CG LYS A 85 14.387 -13.432 7.680 1.00 44.13 C ATOM 1200 CD LYS A 85 15.058 -14.497 8.531 1.00 45.44 C ATOM 1201 CE LYS A 85 14.428 -14.601 9.908 1.00 51.13 C ATOM 1202 NZ LYS A 85 15.179 -15.520 10.788 1.00 3.33 N ATOM 0 H LYS A 85 10.559 -13.892 6.844 1.00 40.21 H new ATOM 0 HA LYS A 85 12.252 -11.687 7.186 1.00 33.41 H new ATOM 0 HB2 LYS A 85 12.419 -13.816 8.419 1.00 53.43 H new ATOM 0 HB3 LYS A 85 12.809 -14.666 6.937 1.00 53.43 H new ATOM 0 HG2 LYS A 85 14.894 -13.369 6.717 1.00 44.13 H new ATOM 0 HG3 LYS A 85 14.499 -12.462 8.164 1.00 44.13 H new ATOM 0 HD2 LYS A 85 14.990 -15.461 8.027 1.00 45.44 H new ATOM 0 HD3 LYS A 85 16.118 -14.265 8.633 1.00 45.44 H new ATOM 0 HE2 LYS A 85 14.388 -13.612 10.365 1.00 51.13 H new ATOM 0 HE3 LYS A 85 13.400 -14.949 9.812 1.00 51.13 H new ATOM 0 HZ1 LYS A 85 14.717 -15.564 11.719 1.00 3.33 H new ATOM 0 HZ2 LYS A 85 15.196 -16.470 10.365 1.00 3.33 H new ATOM 0 HZ3 LYS A 85 16.153 -15.174 10.901 1.00 3.33 H new ATOM 1216 N ARG A 86 12.579 -13.306 4.342 1.00 2.25 N ATOM 1217 CA ARG A 86 13.171 -13.205 3.017 1.00 5.44 C ATOM 1218 C ARG A 86 12.109 -13.249 1.947 1.00 21.52 C ATOM 1219 O ARG A 86 11.071 -13.877 2.131 1.00 34.02 O ATOM 1220 CB ARG A 86 14.224 -14.293 2.776 1.00 11.23 C ATOM 1221 CG ARG A 86 15.466 -14.170 3.645 1.00 33.45 C ATOM 1222 CD ARG A 86 16.468 -15.250 3.303 1.00 4.22 C ATOM 1223 NE ARG A 86 17.711 -15.129 4.067 1.00 52.25 N ATOM 1224 CZ ARG A 86 18.687 -16.041 4.067 1.00 5.45 C ATOM 1225 NH1 ARG A 86 18.566 -17.145 3.327 1.00 41.22 N ATOM 1226 NH2 ARG A 86 19.779 -15.850 4.801 1.00 31.44 N ATOM 0 H ARG A 86 11.942 -14.093 4.464 1.00 2.25 H new ATOM 0 HA ARG A 86 13.677 -12.241 2.964 1.00 5.44 H new ATOM 0 HB2 ARG A 86 13.768 -15.268 2.951 1.00 11.23 H new ATOM 0 HB3 ARG A 86 14.524 -14.265 1.729 1.00 11.23 H new ATOM 0 HG2 ARG A 86 15.919 -13.189 3.503 1.00 33.45 H new ATOM 0 HG3 ARG A 86 15.189 -14.244 4.697 1.00 33.45 H new ATOM 0 HD2 ARG A 86 16.023 -16.227 3.493 1.00 4.22 H new ATOM 0 HD3 ARG A 86 16.695 -15.205 2.238 1.00 4.22 H new ATOM 0 HE ARG A 86 17.840 -14.293 4.637 1.00 52.25 H new ATOM 0 HH11 ARG A 86 17.729 -17.291 2.763 1.00 41.22 H new ATOM 0 HH12 ARG A 86 19.310 -17.842 3.326 1.00 41.22 H new ATOM 0 HH21 ARG A 86 19.873 -15.006 5.366 1.00 31.44 H new ATOM 0 HH22 ARG A 86 20.523 -16.548 4.799 1.00 31.44 H new ATOM 1238 N ALA A 87 12.394 -12.605 0.817 1.00 72.35 N ATOM 1239 CA ALA A 87 11.454 -12.492 -0.309 1.00 63.02 C ATOM 1240 C ALA A 87 11.231 -13.835 -0.982 1.00 72.13 C ATOM 1241 O ALA A 87 10.228 -14.053 -1.663 1.00 45.52 O ATOM 1242 CB ALA A 87 11.958 -11.465 -1.315 1.00 72.14 C ATOM 0 H ALA A 87 13.288 -12.142 0.651 1.00 72.35 H new ATOM 0 HA ALA A 87 10.494 -12.157 0.085 1.00 63.02 H new ATOM 0 HB1 ALA A 87 11.253 -11.391 -2.143 1.00 72.14 H new ATOM 0 HB2 ALA A 87 12.050 -10.494 -0.829 1.00 72.14 H new ATOM 0 HB3 ALA A 87 12.932 -11.774 -1.694 1.00 72.14 H new ATOM 1248 N SER A 88 12.168 -14.734 -0.777 1.00 63.41 N ATOM 1249 CA SER A 88 12.095 -16.064 -1.326 1.00 64.44 C ATOM 1250 C SER A 88 11.080 -16.924 -0.522 1.00 30.44 C ATOM 1251 O SER A 88 10.798 -18.068 -0.874 1.00 22.14 O ATOM 1252 CB SER A 88 13.508 -16.691 -1.326 1.00 44.41 C ATOM 1253 OG SER A 88 13.540 -17.956 -1.972 1.00 1.43 O ATOM 0 H SER A 88 13.005 -14.559 -0.221 1.00 63.41 H new ATOM 0 HA SER A 88 11.738 -16.023 -2.355 1.00 64.44 H new ATOM 0 HB2 SER A 88 14.203 -16.014 -1.824 1.00 44.41 H new ATOM 0 HB3 SER A 88 13.853 -16.802 -0.298 1.00 44.41 H new ATOM 0 HG SER A 88 12.684 -18.413 -1.838 1.00 1.43 H new ATOM 1259 N HIS A 89 10.526 -16.349 0.548 1.00 11.55 N ATOM 1260 CA HIS A 89 9.535 -17.032 1.384 1.00 45.40 C ATOM 1261 C HIS A 89 8.167 -16.467 1.048 1.00 61.11 C ATOM 1262 O HIS A 89 8.056 -15.277 0.740 1.00 24.35 O ATOM 1263 CB HIS A 89 9.779 -16.775 2.881 1.00 62.41 C ATOM 1264 CG HIS A 89 11.109 -17.188 3.443 1.00 73.21 C ATOM 1265 ND1 HIS A 89 11.444 -16.962 4.751 1.00 74.25 N ATOM 1266 CD2 HIS A 89 12.196 -17.770 2.879 1.00 11.11 C ATOM 1267 CE1 HIS A 89 12.666 -17.368 4.979 1.00 32.25 C ATOM 1268 NE2 HIS A 89 13.154 -17.868 3.862 1.00 50.20 N ATOM 0 H HIS A 89 10.749 -15.403 0.858 1.00 11.55 H new ATOM 0 HA HIS A 89 9.606 -18.102 1.191 1.00 45.40 H new ATOM 0 HB2 HIS A 89 9.652 -15.708 3.065 1.00 62.41 H new ATOM 0 HB3 HIS A 89 9.000 -17.291 3.443 1.00 62.41 H new ATOM 0 HD2 HIS A 89 12.292 -18.095 1.853 1.00 11.11 H new ATOM 0 HE1 HIS A 89 13.187 -17.304 5.923 1.00 32.25 H new ATOM 0 HE2 HIS A 89 14.087 -18.262 3.745 1.00 50.20 H new ATOM 1277 N LYS A 90 7.142 -17.286 1.097 1.00 61.13 N ATOM 1278 CA LYS A 90 5.799 -16.806 0.815 1.00 1.34 C ATOM 1279 C LYS A 90 5.119 -16.334 2.102 1.00 73.45 C ATOM 1280 O LYS A 90 5.277 -16.955 3.159 1.00 55.44 O ATOM 1281 CB LYS A 90 4.909 -17.841 0.052 1.00 31.21 C ATOM 1282 CG LYS A 90 4.488 -19.113 0.808 1.00 24.55 C ATOM 1283 CD LYS A 90 5.642 -20.028 1.153 1.00 10.41 C ATOM 1284 CE LYS A 90 5.140 -21.271 1.851 1.00 20.50 C ATOM 1285 NZ LYS A 90 6.232 -22.208 2.185 1.00 61.23 N ATOM 0 H LYS A 90 7.205 -18.278 1.326 1.00 61.13 H new ATOM 0 HA LYS A 90 5.910 -15.959 0.137 1.00 1.34 H new ATOM 0 HB2 LYS A 90 4.004 -17.329 -0.275 1.00 31.21 H new ATOM 0 HB3 LYS A 90 5.445 -18.146 -0.847 1.00 31.21 H new ATOM 0 HG2 LYS A 90 3.977 -18.826 1.727 1.00 24.55 H new ATOM 0 HG3 LYS A 90 3.769 -19.664 0.202 1.00 24.55 H new ATOM 0 HD2 LYS A 90 6.179 -20.305 0.245 1.00 10.41 H new ATOM 0 HD3 LYS A 90 6.350 -19.504 1.795 1.00 10.41 H new ATOM 0 HE2 LYS A 90 4.617 -20.986 2.764 1.00 20.50 H new ATOM 0 HE3 LYS A 90 4.415 -21.775 1.213 1.00 20.50 H new ATOM 0 HZ1 LYS A 90 5.838 -23.044 2.662 1.00 61.23 H new ATOM 0 HZ2 LYS A 90 6.716 -22.503 1.313 1.00 61.23 H new ATOM 0 HZ3 LYS A 90 6.912 -21.738 2.816 1.00 61.23 H new ATOM 1299 N PRO A 91 4.395 -15.218 2.039 1.00 34.22 N ATOM 1300 CA PRO A 91 3.719 -14.650 3.195 1.00 52.22 C ATOM 1301 C PRO A 91 2.500 -15.443 3.650 1.00 65.45 C ATOM 1302 O PRO A 91 1.933 -16.255 2.909 1.00 51.21 O ATOM 1303 CB PRO A 91 3.271 -13.277 2.716 1.00 51.23 C ATOM 1304 CG PRO A 91 3.133 -13.415 1.254 1.00 12.45 C ATOM 1305 CD PRO A 91 4.188 -14.395 0.832 1.00 65.12 C ATOM 0 HA PRO A 91 4.388 -14.641 4.056 1.00 52.22 H new ATOM 0 HB2 PRO A 91 2.327 -12.986 3.177 1.00 51.23 H new ATOM 0 HB3 PRO A 91 4.002 -12.510 2.974 1.00 51.23 H new ATOM 0 HG2 PRO A 91 2.138 -13.773 0.988 1.00 12.45 H new ATOM 0 HG3 PRO A 91 3.270 -12.455 0.756 1.00 12.45 H new ATOM 0 HD2 PRO A 91 3.860 -14.999 -0.014 1.00 65.12 H new ATOM 0 HD3 PRO A 91 5.105 -13.891 0.527 1.00 65.12 H new ATOM 1313 N THR A 92 2.127 -15.204 4.875 1.00 71.21 N ATOM 1314 CA THR A 92 0.955 -15.763 5.448 1.00 65.02 C ATOM 1315 C THR A 92 -0.029 -14.606 5.590 1.00 23.12 C ATOM 1316 O THR A 92 0.411 -13.444 5.701 1.00 75.45 O ATOM 1317 CB THR A 92 1.313 -16.283 6.861 1.00 24.12 C ATOM 1318 OG1 THR A 92 2.460 -17.120 6.779 1.00 30.21 O ATOM 1319 CG2 THR A 92 0.182 -17.075 7.482 1.00 34.20 C ATOM 0 H THR A 92 2.648 -14.600 5.511 1.00 71.21 H new ATOM 0 HA THR A 92 0.545 -16.576 4.848 1.00 65.02 H new ATOM 0 HB THR A 92 1.506 -15.413 7.489 1.00 24.12 H new ATOM 0 HG1 THR A 92 2.421 -17.798 7.486 1.00 30.21 H new ATOM 0 HG21 THR A 92 0.480 -17.419 8.472 1.00 34.20 H new ATOM 0 HG22 THR A 92 -0.701 -16.442 7.568 1.00 34.20 H new ATOM 0 HG23 THR A 92 -0.048 -17.935 6.853 1.00 34.20 H new ATOM 1325 N TYR A 93 -1.319 -14.881 5.621 1.00 32.30 N ATOM 1326 CA TYR A 93 -2.292 -13.815 5.799 1.00 15.44 C ATOM 1327 C TYR A 93 -2.162 -13.181 7.161 1.00 65.34 C ATOM 1328 O TYR A 93 -2.408 -12.006 7.316 1.00 23.22 O ATOM 1329 CB TYR A 93 -3.721 -14.252 5.488 1.00 64.51 C ATOM 1330 CG TYR A 93 -3.973 -14.454 4.010 1.00 64.13 C ATOM 1331 CD1 TYR A 93 -3.751 -15.674 3.383 1.00 74.20 C ATOM 1332 CD2 TYR A 93 -4.426 -13.404 3.240 1.00 51.40 C ATOM 1333 CE1 TYR A 93 -3.978 -15.828 2.029 1.00 15.15 C ATOM 1334 CE2 TYR A 93 -4.655 -13.549 1.903 1.00 22.41 C ATOM 1335 CZ TYR A 93 -4.433 -14.755 1.298 1.00 42.35 C ATOM 1336 OH TYR A 93 -4.667 -14.884 -0.054 1.00 11.23 O ATOM 0 H TYR A 93 -1.715 -15.816 5.527 1.00 32.30 H new ATOM 0 HA TYR A 93 -2.060 -13.048 5.060 1.00 15.44 H new ATOM 0 HB2 TYR A 93 -3.933 -15.181 6.017 1.00 64.51 H new ATOM 0 HB3 TYR A 93 -4.415 -13.503 5.869 1.00 64.51 H new ATOM 0 HD1 TYR A 93 -3.396 -16.514 3.962 1.00 74.20 H new ATOM 0 HD2 TYR A 93 -4.603 -12.446 3.705 1.00 51.40 H new ATOM 0 HE1 TYR A 93 -3.800 -16.780 1.550 1.00 15.15 H new ATOM 0 HE2 TYR A 93 -5.012 -12.711 1.322 1.00 22.41 H new ATOM 0 HH TYR A 93 -5.497 -15.386 -0.196 1.00 11.23 H new ATOM 1346 N GLU A 94 -1.749 -13.980 8.131 1.00 2.42 N ATOM 1347 CA GLU A 94 -1.459 -13.516 9.484 1.00 25.23 C ATOM 1348 C GLU A 94 -0.450 -12.346 9.457 1.00 45.34 C ATOM 1349 O GLU A 94 -0.697 -11.286 10.056 1.00 64.10 O ATOM 1350 CB GLU A 94 -0.908 -14.688 10.305 1.00 5.22 C ATOM 1351 CG GLU A 94 -0.545 -14.359 11.740 1.00 13.31 C ATOM 1352 CD GLU A 94 -0.070 -15.577 12.489 1.00 72.31 C ATOM 1353 OE1 GLU A 94 1.129 -15.917 12.410 1.00 63.32 O ATOM 1354 OE2 GLU A 94 -0.893 -16.227 13.170 1.00 71.14 O ATOM 0 H GLU A 94 -1.603 -14.981 8.003 1.00 2.42 H new ATOM 0 HA GLU A 94 -2.376 -13.150 9.945 1.00 25.23 H new ATOM 0 HB2 GLU A 94 -1.649 -15.488 10.309 1.00 5.22 H new ATOM 0 HB3 GLU A 94 -0.022 -15.077 9.803 1.00 5.22 H new ATOM 0 HG2 GLU A 94 0.235 -13.597 11.752 1.00 13.31 H new ATOM 0 HG3 GLU A 94 -1.412 -13.936 12.247 1.00 13.31 H new ATOM 1361 N ASN A 95 0.664 -12.531 8.733 1.00 42.23 N ATOM 1362 CA ASN A 95 1.686 -11.477 8.624 1.00 33.35 C ATOM 1363 C ASN A 95 1.122 -10.276 7.898 1.00 40.11 C ATOM 1364 O ASN A 95 1.311 -9.133 8.318 1.00 33.43 O ATOM 1365 CB ASN A 95 2.934 -11.958 7.861 1.00 1.10 C ATOM 1366 CG ASN A 95 3.598 -13.165 8.473 1.00 74.11 C ATOM 1367 OD1 ASN A 95 3.288 -14.298 8.113 1.00 15.13 O ATOM 1368 ND2 ASN A 95 4.501 -12.945 9.391 1.00 40.24 N ATOM 0 H ASN A 95 0.879 -13.387 8.221 1.00 42.23 H new ATOM 0 HA ASN A 95 1.976 -11.213 9.641 1.00 33.35 H new ATOM 0 HB2 ASN A 95 2.652 -12.192 6.835 1.00 1.10 H new ATOM 0 HB3 ASN A 95 3.656 -11.143 7.815 1.00 1.10 H new ATOM 0 HD21 ASN A 95 4.977 -13.729 9.837 1.00 40.24 H new ATOM 0 HD22 ASN A 95 4.730 -11.989 9.662 1.00 40.24 H new ATOM 1374 N LEU A 96 0.418 -10.549 6.811 1.00 63.43 N ATOM 1375 CA LEU A 96 -0.174 -9.521 5.972 1.00 2.50 C ATOM 1376 C LEU A 96 -1.181 -8.684 6.756 1.00 2.51 C ATOM 1377 O LEU A 96 -1.161 -7.464 6.686 1.00 42.21 O ATOM 1378 CB LEU A 96 -0.836 -10.166 4.745 1.00 33.41 C ATOM 1379 CG LEU A 96 -1.546 -9.226 3.765 1.00 10.53 C ATOM 1380 CD1 LEU A 96 -0.586 -8.186 3.215 1.00 50.45 C ATOM 1381 CD2 LEU A 96 -2.175 -10.019 2.636 1.00 73.41 C ATOM 0 H LEU A 96 0.240 -11.499 6.484 1.00 63.43 H new ATOM 0 HA LEU A 96 0.617 -8.851 5.634 1.00 2.50 H new ATOM 0 HB2 LEU A 96 -0.070 -10.714 4.195 1.00 33.41 H new ATOM 0 HB3 LEU A 96 -1.561 -10.899 5.097 1.00 33.41 H new ATOM 0 HG LEU A 96 -2.334 -8.703 4.306 1.00 10.53 H new ATOM 0 HD11 LEU A 96 -1.116 -7.532 2.522 1.00 50.45 H new ATOM 0 HD12 LEU A 96 -0.182 -7.594 4.036 1.00 50.45 H new ATOM 0 HD13 LEU A 96 0.230 -8.685 2.691 1.00 50.45 H new ATOM 0 HD21 LEU A 96 -2.676 -9.338 1.948 1.00 73.41 H new ATOM 0 HD22 LEU A 96 -1.400 -10.569 2.102 1.00 73.41 H new ATOM 0 HD23 LEU A 96 -2.902 -10.721 3.045 1.00 73.41 H new ATOM 1389 N GLN A 97 -2.026 -9.352 7.512 1.00 50.31 N ATOM 1390 CA GLN A 97 -3.064 -8.715 8.310 1.00 2.34 C ATOM 1391 C GLN A 97 -2.446 -7.754 9.318 1.00 60.24 C ATOM 1392 O GLN A 97 -2.813 -6.589 9.371 1.00 54.30 O ATOM 1393 CB GLN A 97 -3.872 -9.791 9.034 1.00 72.33 C ATOM 1394 CG GLN A 97 -5.017 -9.288 9.888 1.00 43.12 C ATOM 1395 CD GLN A 97 -5.727 -10.426 10.603 1.00 44.12 C ATOM 1396 OE1 GLN A 97 -5.116 -11.451 10.937 1.00 34.05 O ATOM 1397 NE2 GLN A 97 -6.996 -10.277 10.833 1.00 42.12 N ATOM 0 H GLN A 97 -2.015 -10.369 7.594 1.00 50.31 H new ATOM 0 HA GLN A 97 -3.722 -8.145 7.654 1.00 2.34 H new ATOM 0 HB2 GLN A 97 -4.273 -10.480 8.291 1.00 72.33 H new ATOM 0 HB3 GLN A 97 -3.195 -10.364 9.667 1.00 72.33 H new ATOM 0 HG2 GLN A 97 -4.638 -8.577 10.622 1.00 43.12 H new ATOM 0 HG3 GLN A 97 -5.729 -8.751 9.262 1.00 43.12 H new ATOM 0 HE21 GLN A 97 -7.469 -9.421 10.545 1.00 42.12 H new ATOM 0 HE22 GLN A 97 -7.520 -11.016 11.302 1.00 42.12 H new ATOM 1405 N LYS A 98 -1.479 -8.237 10.081 1.00 54.03 N ATOM 1406 CA LYS A 98 -0.811 -7.412 11.082 1.00 1.13 C ATOM 1407 C LYS A 98 -0.043 -6.253 10.471 1.00 71.25 C ATOM 1408 O LYS A 98 0.243 -5.263 11.132 1.00 3.25 O ATOM 1409 CB LYS A 98 0.064 -8.244 12.020 1.00 41.15 C ATOM 1410 CG LYS A 98 -0.731 -9.181 12.933 1.00 13.04 C ATOM 1411 CD LYS A 98 -1.745 -8.402 13.786 1.00 34.02 C ATOM 1412 CE LYS A 98 -1.061 -7.338 14.642 1.00 1.02 C ATOM 1413 NZ LYS A 98 -2.023 -6.514 15.405 1.00 62.53 N ATOM 0 H LYS A 98 -1.137 -9.196 10.028 1.00 54.03 H new ATOM 0 HA LYS A 98 -1.602 -6.970 11.688 1.00 1.13 H new ATOM 0 HB2 LYS A 98 0.760 -8.835 11.425 1.00 41.15 H new ATOM 0 HB3 LYS A 98 0.662 -7.572 12.636 1.00 41.15 H new ATOM 0 HG2 LYS A 98 -1.254 -9.923 12.330 1.00 13.04 H new ATOM 0 HG3 LYS A 98 -0.047 -9.725 13.584 1.00 13.04 H new ATOM 0 HD2 LYS A 98 -2.481 -7.929 13.136 1.00 34.02 H new ATOM 0 HD3 LYS A 98 -2.287 -9.094 14.430 1.00 34.02 H new ATOM 0 HE2 LYS A 98 -0.374 -7.822 15.336 1.00 1.02 H new ATOM 0 HE3 LYS A 98 -0.463 -6.691 14.000 1.00 1.02 H new ATOM 0 HZ1 LYS A 98 -1.526 -5.707 15.832 1.00 62.53 H new ATOM 0 HZ2 LYS A 98 -2.765 -6.165 14.765 1.00 62.53 H new ATOM 0 HZ3 LYS A 98 -2.456 -7.090 16.155 1.00 62.53 H new ATOM 1427 N SER A 99 0.315 -6.389 9.240 1.00 63.44 N ATOM 1428 CA SER A 99 0.952 -5.319 8.544 1.00 3.42 C ATOM 1429 C SER A 99 -0.112 -4.303 8.047 1.00 25.44 C ATOM 1430 O SER A 99 0.065 -3.082 8.163 1.00 12.21 O ATOM 1431 CB SER A 99 1.766 -5.878 7.382 1.00 41.33 C ATOM 1432 OG SER A 99 2.698 -6.845 7.844 1.00 42.13 O ATOM 0 H SER A 99 0.177 -7.237 8.690 1.00 63.44 H new ATOM 0 HA SER A 99 1.630 -4.795 9.218 1.00 3.42 H new ATOM 0 HB2 SER A 99 1.099 -6.330 6.648 1.00 41.33 H new ATOM 0 HB3 SER A 99 2.294 -5.068 6.878 1.00 41.33 H new ATOM 0 HG SER A 99 2.234 -7.692 8.012 1.00 42.13 H new ATOM 1438 N LEU A 100 -1.229 -4.822 7.532 1.00 15.30 N ATOM 1439 CA LEU A 100 -2.265 -3.987 6.945 1.00 22.21 C ATOM 1440 C LEU A 100 -3.086 -3.200 7.978 1.00 35.33 C ATOM 1441 O LEU A 100 -3.500 -2.064 7.721 1.00 40.24 O ATOM 1442 CB LEU A 100 -3.139 -4.768 5.894 1.00 32.43 C ATOM 1443 CG LEU A 100 -3.947 -5.996 6.325 1.00 53.35 C ATOM 1444 CD1 LEU A 100 -5.082 -5.656 7.272 1.00 73.23 C ATOM 1445 CD2 LEU A 100 -4.482 -6.719 5.110 1.00 21.32 C ATOM 0 H LEU A 100 -1.434 -5.821 7.512 1.00 15.30 H new ATOM 0 HA LEU A 100 -1.743 -3.215 6.380 1.00 22.21 H new ATOM 0 HB2 LEU A 100 -3.841 -4.054 5.463 1.00 32.43 H new ATOM 0 HB3 LEU A 100 -2.473 -5.085 5.091 1.00 32.43 H new ATOM 0 HG LEU A 100 -3.264 -6.646 6.872 1.00 53.35 H new ATOM 0 HD11 LEU A 100 -5.617 -6.567 7.541 1.00 73.23 H new ATOM 0 HD12 LEU A 100 -4.678 -5.193 8.172 1.00 73.23 H new ATOM 0 HD13 LEU A 100 -5.768 -4.963 6.784 1.00 73.23 H new ATOM 0 HD21 LEU A 100 -5.055 -7.590 5.428 1.00 21.32 H new ATOM 0 HD22 LEU A 100 -5.127 -6.048 4.542 1.00 21.32 H new ATOM 0 HD23 LEU A 100 -3.651 -7.041 4.483 1.00 21.32 H new ATOM 1453 N GLU A 101 -3.314 -3.780 9.134 1.00 64.24 N ATOM 1454 CA GLU A 101 -4.069 -3.077 10.163 1.00 10.32 C ATOM 1455 C GLU A 101 -3.253 -1.990 10.825 1.00 43.44 C ATOM 1456 O GLU A 101 -3.784 -0.949 11.251 1.00 51.42 O ATOM 1457 CB GLU A 101 -4.844 -4.020 11.122 1.00 52.54 C ATOM 1458 CG GLU A 101 -4.071 -5.130 11.809 1.00 74.02 C ATOM 1459 CD GLU A 101 -3.152 -4.681 12.925 1.00 25.12 C ATOM 1460 OE1 GLU A 101 -2.006 -4.360 12.670 1.00 24.32 O ATOM 1461 OE2 GLU A 101 -3.586 -4.688 14.099 1.00 41.55 O ATOM 0 H GLU A 101 -2.998 -4.716 9.389 1.00 64.24 H new ATOM 0 HA GLU A 101 -4.874 -2.542 9.659 1.00 10.32 H new ATOM 0 HB2 GLU A 101 -5.304 -3.405 11.896 1.00 52.54 H new ATOM 0 HB3 GLU A 101 -5.655 -4.479 10.556 1.00 52.54 H new ATOM 0 HG2 GLU A 101 -4.783 -5.850 12.214 1.00 74.02 H new ATOM 0 HG3 GLU A 101 -3.478 -5.655 11.060 1.00 74.02 H new ATOM 1468 N ALA A 102 -1.963 -2.217 10.858 1.00 20.54 N ATOM 1469 CA ALA A 102 -1.008 -1.267 11.365 1.00 2.43 C ATOM 1470 C ALA A 102 -1.041 0.010 10.542 1.00 62.31 C ATOM 1471 O ALA A 102 -1.061 1.125 11.097 1.00 61.44 O ATOM 1472 CB ALA A 102 0.380 -1.866 11.339 1.00 41.11 C ATOM 0 H ALA A 102 -1.541 -3.084 10.526 1.00 20.54 H new ATOM 0 HA ALA A 102 -1.271 -1.023 12.394 1.00 2.43 H new ATOM 0 HB1 ALA A 102 1.097 -1.141 11.724 1.00 41.11 H new ATOM 0 HB2 ALA A 102 0.401 -2.762 11.959 1.00 41.11 H new ATOM 0 HB3 ALA A 102 0.644 -2.128 10.314 1.00 41.11 H new ATOM 1478 N MET A 103 -1.080 -0.136 9.210 1.00 62.22 N ATOM 1479 CA MET A 103 -1.111 1.028 8.359 1.00 73.21 C ATOM 1480 C MET A 103 -2.447 1.737 8.457 1.00 70.43 C ATOM 1481 O MET A 103 -2.501 2.954 8.332 1.00 74.10 O ATOM 1482 CB MET A 103 -0.735 0.729 6.907 1.00 74.31 C ATOM 1483 CG MET A 103 -1.664 -0.188 6.196 1.00 24.02 C ATOM 1484 SD MET A 103 -1.186 -0.469 4.497 1.00 12.42 S ATOM 1485 CE MET A 103 -2.474 -1.592 4.024 1.00 51.45 C ATOM 0 H MET A 103 -1.090 -1.032 8.722 1.00 62.22 H new ATOM 0 HA MET A 103 -0.338 1.701 8.730 1.00 73.21 H new ATOM 0 HB2 MET A 103 -0.686 1.670 6.359 1.00 74.31 H new ATOM 0 HB3 MET A 103 0.265 0.296 6.888 1.00 74.31 H new ATOM 0 HG2 MET A 103 -1.700 -1.142 6.722 1.00 24.02 H new ATOM 0 HG3 MET A 103 -2.671 0.229 6.222 1.00 24.02 H new ATOM 0 HE1 MET A 103 -2.746 -1.416 2.983 1.00 51.45 H new ATOM 0 HE2 MET A 103 -2.123 -2.617 4.139 1.00 51.45 H new ATOM 0 HE3 MET A 103 -3.346 -1.434 4.659 1.00 51.45 H new ATOM 1495 N LYS A 104 -3.531 0.968 8.687 1.00 60.14 N ATOM 1496 CA LYS A 104 -4.852 1.556 8.873 1.00 33.44 C ATOM 1497 C LYS A 104 -4.827 2.524 10.026 1.00 44.43 C ATOM 1498 O LYS A 104 -5.193 3.691 9.879 1.00 33.30 O ATOM 1499 CB LYS A 104 -5.903 0.516 9.160 1.00 51.11 C ATOM 1500 CG LYS A 104 -7.288 1.151 9.276 1.00 21.10 C ATOM 1501 CD LYS A 104 -8.328 0.198 9.767 1.00 21.50 C ATOM 1502 CE LYS A 104 -7.883 -0.400 11.051 1.00 53.44 C ATOM 1503 NZ LYS A 104 -8.950 -1.174 11.745 1.00 61.45 N ATOM 0 H LYS A 104 -3.508 -0.050 8.746 1.00 60.14 H new ATOM 0 HA LYS A 104 -5.105 2.063 7.942 1.00 33.44 H new ATOM 0 HB2 LYS A 104 -5.907 -0.230 8.366 1.00 51.11 H new ATOM 0 HB3 LYS A 104 -5.660 -0.005 10.086 1.00 51.11 H new ATOM 0 HG2 LYS A 104 -7.235 2.003 9.954 1.00 21.10 H new ATOM 0 HG3 LYS A 104 -7.588 1.537 8.301 1.00 21.10 H new ATOM 0 HD2 LYS A 104 -9.277 0.717 9.904 1.00 21.50 H new ATOM 0 HD3 LYS A 104 -8.497 -0.585 9.028 1.00 21.50 H new ATOM 0 HE2 LYS A 104 -7.033 -1.056 10.862 1.00 53.44 H new ATOM 0 HE3 LYS A 104 -7.533 0.394 11.711 1.00 53.44 H new ATOM 0 HZ1 LYS A 104 -8.523 -1.972 12.257 1.00 61.45 H new ATOM 0 HZ2 LYS A 104 -9.445 -0.555 12.419 1.00 61.45 H new ATOM 0 HZ3 LYS A 104 -9.628 -1.536 11.044 1.00 61.45 H new ATOM 1517 N SER A 105 -4.375 2.033 11.169 1.00 44.23 N ATOM 1518 CA SER A 105 -4.271 2.833 12.369 1.00 21.02 C ATOM 1519 C SER A 105 -3.397 4.071 12.120 1.00 62.45 C ATOM 1520 O SER A 105 -3.754 5.187 12.521 1.00 33.34 O ATOM 1521 CB SER A 105 -3.705 1.991 13.517 1.00 2.43 C ATOM 1522 OG SER A 105 -3.653 2.739 14.727 1.00 21.12 O ATOM 0 H SER A 105 -4.071 1.067 11.286 1.00 44.23 H new ATOM 0 HA SER A 105 -5.268 3.174 12.648 1.00 21.02 H new ATOM 0 HB2 SER A 105 -4.323 1.105 13.661 1.00 2.43 H new ATOM 0 HB3 SER A 105 -2.705 1.644 13.258 1.00 2.43 H new ATOM 0 HG SER A 105 -3.290 2.178 15.443 1.00 21.12 H new ATOM 1528 N HIS A 106 -2.261 3.873 11.439 1.00 3.20 N ATOM 1529 CA HIS A 106 -1.367 4.975 11.102 1.00 74.34 C ATOM 1530 C HIS A 106 -2.095 6.037 10.274 1.00 70.23 C ATOM 1531 O HIS A 106 -1.971 7.233 10.542 1.00 72.41 O ATOM 1532 CB HIS A 106 -0.119 4.478 10.343 1.00 34.24 C ATOM 1533 CG HIS A 106 0.779 5.596 9.885 1.00 64.32 C ATOM 1534 ND1 HIS A 106 0.639 6.204 8.657 1.00 35.12 N ATOM 1535 CD2 HIS A 106 1.783 6.248 10.506 1.00 71.35 C ATOM 1536 CE1 HIS A 106 1.492 7.170 8.544 1.00 52.23 C ATOM 1537 NE2 HIS A 106 2.207 7.227 9.644 1.00 73.32 N ATOM 0 H HIS A 106 -1.944 2.960 11.114 1.00 3.20 H new ATOM 0 HA HIS A 106 -1.040 5.424 12.040 1.00 74.34 H new ATOM 0 HB2 HIS A 106 0.447 3.806 10.988 1.00 34.24 H new ATOM 0 HB3 HIS A 106 -0.436 3.897 9.477 1.00 34.24 H new ATOM 0 HD1 HIS A 106 -0.037 5.933 7.943 1.00 35.12 H new ATOM 0 HD2 HIS A 106 2.176 6.040 11.490 1.00 71.35 H new ATOM 0 HE1 HIS A 106 1.598 7.821 7.688 1.00 52.23 H new ATOM 1546 N CYS A 107 -2.840 5.590 9.275 1.00 43.40 N ATOM 1547 CA CYS A 107 -3.585 6.484 8.412 1.00 40.32 C ATOM 1548 C CYS A 107 -4.591 7.292 9.212 1.00 1.52 C ATOM 1549 O CYS A 107 -4.639 8.514 9.093 1.00 63.01 O ATOM 1550 CB CYS A 107 -4.285 5.712 7.295 1.00 71.20 C ATOM 1551 SG CYS A 107 -3.176 4.821 6.191 1.00 60.41 S ATOM 0 H CYS A 107 -2.943 4.602 9.043 1.00 43.40 H new ATOM 0 HA CYS A 107 -2.876 7.174 7.954 1.00 40.32 H new ATOM 0 HB2 CYS A 107 -4.979 5.001 7.743 1.00 71.20 H new ATOM 0 HB3 CYS A 107 -4.879 6.410 6.706 1.00 71.20 H new ATOM 0 HG CYS A 107 -2.567 3.882 6.853 1.00 60.41 H new ATOM 1557 N LEU A 108 -5.354 6.609 10.054 1.00 34.34 N ATOM 1558 CA LEU A 108 -6.355 7.250 10.907 1.00 44.44 C ATOM 1559 C LEU A 108 -5.710 8.317 11.780 1.00 2.43 C ATOM 1560 O LEU A 108 -6.193 9.444 11.867 1.00 23.02 O ATOM 1561 CB LEU A 108 -7.035 6.207 11.803 1.00 51.41 C ATOM 1562 CG LEU A 108 -7.790 5.084 11.093 1.00 64.20 C ATOM 1563 CD1 LEU A 108 -8.368 4.110 12.106 1.00 23.11 C ATOM 1564 CD2 LEU A 108 -8.889 5.654 10.223 1.00 42.40 C ATOM 0 H LEU A 108 -5.300 5.597 10.168 1.00 34.34 H new ATOM 0 HA LEU A 108 -7.100 7.717 10.263 1.00 44.44 H new ATOM 0 HB2 LEU A 108 -6.274 5.756 12.440 1.00 51.41 H new ATOM 0 HB3 LEU A 108 -7.734 6.725 12.460 1.00 51.41 H new ATOM 0 HG LEU A 108 -7.089 4.545 10.456 1.00 64.20 H new ATOM 0 HD11 LEU A 108 -8.903 3.316 11.584 1.00 23.11 H new ATOM 0 HD12 LEU A 108 -7.560 3.676 12.696 1.00 23.11 H new ATOM 0 HD13 LEU A 108 -9.056 4.638 12.766 1.00 23.11 H new ATOM 0 HD21 LEU A 108 -9.417 4.841 9.724 1.00 42.40 H new ATOM 0 HD22 LEU A 108 -9.589 6.215 10.842 1.00 42.40 H new ATOM 0 HD23 LEU A 108 -8.454 6.317 9.475 1.00 42.40 H new ATOM 1572 N LYS A 109 -4.607 7.956 12.390 1.00 34.44 N ATOM 1573 CA LYS A 109 -3.881 8.823 13.291 1.00 33.50 C ATOM 1574 C LYS A 109 -3.245 10.031 12.564 1.00 3.51 C ATOM 1575 O LYS A 109 -3.078 11.097 13.149 1.00 32.52 O ATOM 1576 CB LYS A 109 -2.831 7.985 14.029 1.00 45.12 C ATOM 1577 CG LYS A 109 -1.981 8.731 15.042 1.00 32.33 C ATOM 1578 CD LYS A 109 -1.107 7.766 15.841 1.00 73.13 C ATOM 1579 CE LYS A 109 -0.145 6.998 14.947 1.00 13.13 C ATOM 1580 NZ LYS A 109 0.636 5.998 15.696 1.00 14.40 N ATOM 0 H LYS A 109 -4.180 7.037 12.273 1.00 34.44 H new ATOM 0 HA LYS A 109 -4.579 9.252 14.010 1.00 33.50 H new ATOM 0 HB2 LYS A 109 -3.340 7.169 14.541 1.00 45.12 H new ATOM 0 HB3 LYS A 109 -2.169 7.534 13.290 1.00 45.12 H new ATOM 0 HG2 LYS A 109 -1.351 9.457 14.529 1.00 32.33 H new ATOM 0 HG3 LYS A 109 -2.625 9.291 15.720 1.00 32.33 H new ATOM 0 HD2 LYS A 109 -0.542 8.322 16.589 1.00 73.13 H new ATOM 0 HD3 LYS A 109 -1.742 7.063 16.380 1.00 73.13 H new ATOM 0 HE2 LYS A 109 -0.706 6.500 14.156 1.00 13.13 H new ATOM 0 HE3 LYS A 109 0.535 7.698 14.462 1.00 13.13 H new ATOM 0 HZ1 LYS A 109 1.277 5.500 15.046 1.00 14.40 H new ATOM 0 HZ2 LYS A 109 1.193 6.474 16.434 1.00 14.40 H new ATOM 0 HZ3 LYS A 109 -0.010 5.313 16.138 1.00 14.40 H new ATOM 1594 N ASN A 110 -2.901 9.866 11.300 1.00 51.33 N ATOM 1595 CA ASN A 110 -2.268 10.967 10.528 1.00 33.24 C ATOM 1596 C ASN A 110 -3.251 11.767 9.700 1.00 2.04 C ATOM 1597 O ASN A 110 -2.878 12.794 9.121 1.00 70.21 O ATOM 1598 CB ASN A 110 -1.121 10.484 9.613 1.00 42.15 C ATOM 1599 CG ASN A 110 0.143 10.063 10.343 1.00 21.44 C ATOM 1600 OD1 ASN A 110 0.010 9.525 11.515 1.00 74.55 O flip ATOM 1601 ND2 ASN A 110 1.241 10.213 9.820 1.00 14.43 N flip ATOM 0 H ASN A 110 -3.038 9.002 10.776 1.00 51.33 H new ATOM 0 HA ASN A 110 -1.855 11.619 11.298 1.00 33.24 H new ATOM 0 HB2 ASN A 110 -1.478 9.642 9.020 1.00 42.15 H new ATOM 0 HB3 ASN A 110 -0.871 11.283 8.915 1.00 42.15 H new ATOM 0 HD21 ASN A 110 1.312 10.640 8.896 1.00 14.43 H new ATOM 0 HD22 ASN A 110 2.084 9.911 10.308 1.00 14.43 H new ATOM 1607 N GLY A 111 -4.483 11.311 9.619 1.00 61.11 N ATOM 1608 CA GLY A 111 -5.467 12.003 8.805 1.00 22.25 C ATOM 1609 C GLY A 111 -5.360 11.606 7.343 1.00 44.33 C ATOM 1610 O GLY A 111 -5.723 12.368 6.443 1.00 1.01 O ATOM 0 H GLY A 111 -4.826 10.478 10.097 1.00 61.11 H new ATOM 0 HA2 GLY A 111 -6.468 11.777 9.172 1.00 22.25 H new ATOM 0 HA3 GLY A 111 -5.328 13.080 8.902 1.00 22.25 H new ATOM 1614 N VAL A 112 -4.851 10.418 7.112 1.00 30.43 N ATOM 1615 CA VAL A 112 -4.694 9.890 5.779 1.00 32.44 C ATOM 1616 C VAL A 112 -5.873 8.979 5.458 1.00 71.42 C ATOM 1617 O VAL A 112 -5.960 7.864 5.941 1.00 23.33 O ATOM 1618 CB VAL A 112 -3.330 9.134 5.597 1.00 73.30 C ATOM 1619 CG1 VAL A 112 -3.225 8.527 4.209 1.00 63.32 C ATOM 1620 CG2 VAL A 112 -2.173 10.096 5.816 1.00 53.31 C ATOM 0 H VAL A 112 -4.533 9.788 7.849 1.00 30.43 H new ATOM 0 HA VAL A 112 -4.678 10.725 5.079 1.00 32.44 H new ATOM 0 HB VAL A 112 -3.286 8.331 6.332 1.00 73.30 H new ATOM 0 HG11 VAL A 112 -2.271 8.009 4.109 1.00 63.32 H new ATOM 0 HG12 VAL A 112 -4.040 7.818 4.059 1.00 63.32 H new ATOM 0 HG13 VAL A 112 -3.289 9.317 3.461 1.00 63.32 H new ATOM 0 HG21 VAL A 112 -1.229 9.565 5.688 1.00 53.31 H new ATOM 0 HG22 VAL A 112 -2.233 10.908 5.092 1.00 53.31 H new ATOM 0 HG23 VAL A 112 -2.226 10.505 6.825 1.00 53.31 H new ATOM 1626 N THR A 113 -6.793 9.485 4.693 1.00 70.23 N ATOM 1627 CA THR A 113 -7.990 8.761 4.336 1.00 24.03 C ATOM 1628 C THR A 113 -7.971 8.392 2.858 1.00 25.30 C ATOM 1629 O THR A 113 -9.000 8.033 2.268 1.00 1.45 O ATOM 1630 CB THR A 113 -9.214 9.645 4.639 1.00 12.44 C ATOM 1631 OG1 THR A 113 -9.041 10.926 4.001 1.00 63.43 O ATOM 1632 CG2 THR A 113 -9.374 9.849 6.141 1.00 14.33 C ATOM 0 H THR A 113 -6.739 10.421 4.292 1.00 70.23 H new ATOM 0 HA THR A 113 -8.042 7.840 4.917 1.00 24.03 H new ATOM 0 HB THR A 113 -10.107 9.150 4.257 1.00 12.44 H new ATOM 0 HG1 THR A 113 -9.818 11.493 4.189 1.00 63.43 H new ATOM 0 HG21 THR A 113 -10.245 10.476 6.332 1.00 14.33 H new ATOM 0 HG22 THR A 113 -9.509 8.883 6.627 1.00 14.33 H new ATOM 0 HG23 THR A 113 -8.483 10.334 6.539 1.00 14.33 H new ATOM 1638 N ASP A 114 -6.799 8.432 2.281 1.00 45.41 N ATOM 1639 CA ASP A 114 -6.645 8.236 0.861 1.00 45.11 C ATOM 1640 C ASP A 114 -5.389 7.410 0.592 1.00 32.22 C ATOM 1641 O ASP A 114 -4.267 7.892 0.786 1.00 10.44 O ATOM 1642 CB ASP A 114 -6.543 9.618 0.228 1.00 32.03 C ATOM 1643 CG ASP A 114 -6.510 9.613 -1.250 1.00 71.20 C ATOM 1644 OD1 ASP A 114 -7.497 9.140 -1.879 1.00 13.40 O ATOM 1645 OD2 ASP A 114 -5.540 10.102 -1.814 1.00 30.24 O ATOM 0 H ASP A 114 -5.925 8.601 2.779 1.00 45.41 H new ATOM 0 HA ASP A 114 -7.490 7.694 0.436 1.00 45.11 H new ATOM 0 HB2 ASP A 114 -7.391 10.219 0.558 1.00 32.03 H new ATOM 0 HB3 ASP A 114 -5.642 10.108 0.598 1.00 32.03 H new ATOM 1650 N LEU A 115 -5.573 6.157 0.208 1.00 53.54 N ATOM 1651 CA LEU A 115 -4.452 5.254 0.009 1.00 11.13 C ATOM 1652 C LEU A 115 -4.683 4.440 -1.275 1.00 71.22 C ATOM 1653 O LEU A 115 -5.763 3.867 -1.462 1.00 65.23 O ATOM 1654 CB LEU A 115 -4.347 4.313 1.260 1.00 25.50 C ATOM 1655 CG LEU A 115 -3.036 3.524 1.485 1.00 43.05 C ATOM 1656 CD1 LEU A 115 -3.080 2.832 2.840 1.00 14.13 C ATOM 1657 CD2 LEU A 115 -2.826 2.484 0.413 1.00 54.34 C ATOM 0 H LEU A 115 -6.488 5.743 0.028 1.00 53.54 H new ATOM 0 HA LEU A 115 -3.520 5.808 -0.099 1.00 11.13 H new ATOM 0 HB2 LEU A 115 -4.524 4.921 2.147 1.00 25.50 H new ATOM 0 HB3 LEU A 115 -5.162 3.591 1.201 1.00 25.50 H new ATOM 0 HG LEU A 115 -2.210 4.234 1.447 1.00 43.05 H new ATOM 0 HD11 LEU A 115 -2.155 2.277 2.995 1.00 14.13 H new ATOM 0 HD12 LEU A 115 -3.192 3.579 3.626 1.00 14.13 H new ATOM 0 HD13 LEU A 115 -3.925 2.144 2.870 1.00 14.13 H new ATOM 0 HD21 LEU A 115 -1.896 1.949 0.603 1.00 54.34 H new ATOM 0 HD22 LEU A 115 -3.658 1.780 0.421 1.00 54.34 H new ATOM 0 HD23 LEU A 115 -2.773 2.971 -0.561 1.00 54.34 H new ATOM 1665 N SER A 116 -3.700 4.385 -2.142 1.00 32.13 N ATOM 1666 CA SER A 116 -3.808 3.573 -3.317 1.00 35.12 C ATOM 1667 C SER A 116 -2.798 2.425 -3.270 1.00 23.25 C ATOM 1668 O SER A 116 -1.730 2.524 -2.632 1.00 72.41 O ATOM 1669 CB SER A 116 -3.639 4.392 -4.602 1.00 50.11 C ATOM 1670 OG SER A 116 -2.341 4.915 -4.726 1.00 13.04 O ATOM 0 H SER A 116 -2.821 4.894 -2.051 1.00 32.13 H new ATOM 0 HA SER A 116 -4.815 3.156 -3.332 1.00 35.12 H new ATOM 0 HB2 SER A 116 -3.860 3.763 -5.464 1.00 50.11 H new ATOM 0 HB3 SER A 116 -4.361 5.209 -4.609 1.00 50.11 H new ATOM 0 HG SER A 116 -2.202 5.231 -5.643 1.00 13.04 H new ATOM 1676 N MET A 117 -3.132 1.351 -3.915 1.00 34.11 N ATOM 1677 CA MET A 117 -2.287 0.188 -3.978 1.00 74.52 C ATOM 1678 C MET A 117 -2.573 -0.527 -5.286 1.00 71.13 C ATOM 1679 O MET A 117 -3.631 -0.316 -5.877 1.00 30.13 O ATOM 1680 CB MET A 117 -2.534 -0.737 -2.749 1.00 31.20 C ATOM 1681 CG MET A 117 -3.958 -1.244 -2.624 1.00 3.42 C ATOM 1682 SD MET A 117 -4.269 -2.192 -1.108 1.00 43.02 S ATOM 1683 CE MET A 117 -4.020 -0.945 0.170 1.00 64.15 C ATOM 0 H MET A 117 -4.011 1.251 -4.422 1.00 34.11 H new ATOM 0 HA MET A 117 -1.236 0.477 -3.945 1.00 74.52 H new ATOM 0 HB2 MET A 117 -1.861 -1.592 -2.812 1.00 31.20 H new ATOM 0 HB3 MET A 117 -2.274 -0.192 -1.841 1.00 31.20 H new ATOM 0 HG2 MET A 117 -4.640 -0.394 -2.656 1.00 3.42 H new ATOM 0 HG3 MET A 117 -4.188 -1.870 -3.486 1.00 3.42 H new ATOM 0 HE1 MET A 117 -4.398 -1.319 1.122 1.00 64.15 H new ATOM 0 HE2 MET A 117 -2.956 -0.727 0.263 1.00 64.15 H new ATOM 0 HE3 MET A 117 -4.555 -0.035 -0.101 1.00 64.15 H new ATOM 1693 N PRO A 118 -1.647 -1.327 -5.794 1.00 5.03 N ATOM 1694 CA PRO A 118 -1.860 -2.055 -7.025 1.00 72.41 C ATOM 1695 C PRO A 118 -2.489 -3.401 -6.728 1.00 3.54 C ATOM 1696 O PRO A 118 -3.001 -3.631 -5.625 1.00 11.51 O ATOM 1697 CB PRO A 118 -0.437 -2.247 -7.544 1.00 61.41 C ATOM 1698 CG PRO A 118 0.398 -2.375 -6.308 1.00 24.01 C ATOM 1699 CD PRO A 118 -0.317 -1.605 -5.217 1.00 24.43 C ATOM 0 HA PRO A 118 -2.520 -1.547 -7.728 1.00 72.41 H new ATOM 0 HB2 PRO A 118 -0.359 -3.136 -8.170 1.00 61.41 H new ATOM 0 HB3 PRO A 118 -0.119 -1.400 -8.152 1.00 61.41 H new ATOM 0 HG2 PRO A 118 0.517 -3.422 -6.028 1.00 24.01 H new ATOM 0 HG3 PRO A 118 1.398 -1.974 -6.473 1.00 24.01 H new ATOM 0 HD2 PRO A 118 -0.393 -2.189 -4.300 1.00 24.43 H new ATOM 0 HD3 PRO A 118 0.210 -0.685 -4.966 1.00 24.43 H new ATOM 1707 N ARG A 119 -2.461 -4.289 -7.685 1.00 13.12 N ATOM 1708 CA ARG A 119 -2.945 -5.612 -7.444 1.00 4.11 C ATOM 1709 C ARG A 119 -1.911 -6.411 -6.666 1.00 51.34 C ATOM 1710 O ARG A 119 -1.033 -7.053 -7.246 1.00 2.45 O ATOM 1711 CB ARG A 119 -3.329 -6.337 -8.731 1.00 71.23 C ATOM 1712 CG ARG A 119 -4.520 -5.741 -9.466 1.00 55.44 C ATOM 1713 CD ARG A 119 -4.872 -6.577 -10.696 1.00 53.23 C ATOM 1714 NE ARG A 119 -3.781 -6.638 -11.686 1.00 10.41 N ATOM 1715 CZ ARG A 119 -3.172 -7.770 -12.099 1.00 54.25 C ATOM 1716 NH1 ARG A 119 -3.430 -8.943 -11.496 1.00 72.04 N ATOM 1717 NH2 ARG A 119 -2.290 -7.712 -13.087 1.00 71.44 N ATOM 0 H ARG A 119 -2.111 -4.119 -8.628 1.00 13.12 H new ATOM 0 HA ARG A 119 -3.855 -5.523 -6.850 1.00 4.11 H new ATOM 0 HB2 ARG A 119 -2.469 -6.338 -9.401 1.00 71.23 H new ATOM 0 HB3 ARG A 119 -3.550 -7.378 -8.494 1.00 71.23 H new ATOM 0 HG2 ARG A 119 -5.379 -5.691 -8.796 1.00 55.44 H new ATOM 0 HG3 ARG A 119 -4.292 -4.719 -9.768 1.00 55.44 H new ATOM 0 HD2 ARG A 119 -5.124 -7.589 -10.380 1.00 53.23 H new ATOM 0 HD3 ARG A 119 -5.761 -6.160 -11.169 1.00 53.23 H new ATOM 0 HE ARG A 119 -3.462 -5.757 -12.090 1.00 10.41 H new ATOM 0 HH11 ARG A 119 -4.090 -8.983 -10.720 1.00 72.04 H new ATOM 0 HH12 ARG A 119 -2.965 -9.793 -11.815 1.00 72.04 H new ATOM 0 HH21 ARG A 119 -2.077 -6.817 -13.528 1.00 71.44 H new ATOM 0 HH22 ARG A 119 -1.825 -8.562 -13.406 1.00 71.44 H new ATOM 1729 N ILE A 120 -1.964 -6.292 -5.364 1.00 53.25 N ATOM 1730 CA ILE A 120 -1.088 -7.042 -4.500 1.00 33.21 C ATOM 1731 C ILE A 120 -1.739 -8.345 -4.129 1.00 55.14 C ATOM 1732 O ILE A 120 -2.909 -8.563 -4.447 1.00 52.44 O ATOM 1733 CB ILE A 120 -0.560 -6.208 -3.257 1.00 13.11 C ATOM 1734 CG1 ILE A 120 -1.688 -5.572 -2.402 1.00 4.23 C ATOM 1735 CG2 ILE A 120 0.408 -5.130 -3.704 1.00 73.21 C ATOM 1736 CD1 ILE A 120 -2.511 -6.539 -1.593 1.00 25.03 C ATOM 0 H ILE A 120 -2.612 -5.675 -4.874 1.00 53.25 H new ATOM 0 HA ILE A 120 -0.177 -7.272 -5.053 1.00 33.21 H new ATOM 0 HB ILE A 120 -0.050 -6.929 -2.619 1.00 13.11 H new ATOM 0 HG12 ILE A 120 -1.240 -4.846 -1.723 1.00 4.23 H new ATOM 0 HG13 ILE A 120 -2.355 -5.020 -3.064 1.00 4.23 H new ATOM 0 HG21 ILE A 120 0.757 -4.571 -2.835 1.00 73.21 H new ATOM 0 HG22 ILE A 120 1.259 -5.591 -4.205 1.00 73.21 H new ATOM 0 HG23 ILE A 120 -0.095 -4.452 -4.393 1.00 73.21 H new ATOM 0 HD11 ILE A 120 -3.270 -5.992 -1.033 1.00 25.03 H new ATOM 0 HD12 ILE A 120 -2.996 -7.251 -2.261 1.00 25.03 H new ATOM 0 HD13 ILE A 120 -1.864 -7.075 -0.898 1.00 25.03 H new ATOM 1743 N GLY A 121 -1.016 -9.215 -3.488 1.00 71.33 N ATOM 1744 CA GLY A 121 -1.533 -10.529 -3.241 1.00 60.42 C ATOM 1745 C GLY A 121 -1.392 -11.357 -4.489 1.00 25.04 C ATOM 1746 O GLY A 121 -0.550 -12.265 -4.569 1.00 4.41 O ATOM 0 H GLY A 121 -0.077 -9.042 -3.130 1.00 71.33 H new ATOM 0 HA2 GLY A 121 -0.994 -10.996 -2.417 1.00 60.42 H new ATOM 0 HA3 GLY A 121 -2.580 -10.471 -2.945 1.00 60.42 H new ATOM 1750 N CYS A 122 -2.161 -10.993 -5.489 1.00 45.33 N ATOM 1751 CA CYS A 122 -2.148 -11.650 -6.751 1.00 1.11 C ATOM 1752 C CYS A 122 -0.995 -11.126 -7.612 1.00 35.34 C ATOM 1753 O CYS A 122 -1.177 -10.323 -8.529 1.00 5.05 O ATOM 1754 CB CYS A 122 -3.496 -11.498 -7.457 1.00 34.32 C ATOM 1755 SG CYS A 122 -4.002 -9.777 -7.710 1.00 31.13 S ATOM 0 H CYS A 122 -2.821 -10.217 -5.435 1.00 45.33 H new ATOM 0 HA CYS A 122 -1.986 -12.716 -6.589 1.00 1.11 H new ATOM 0 HB2 CYS A 122 -3.447 -11.998 -8.424 1.00 34.32 H new ATOM 0 HB3 CYS A 122 -4.261 -12.009 -6.872 1.00 34.32 H new ATOM 0 HG CYS A 122 -5.152 -9.747 -8.315 1.00 31.13 H new ATOM 1761 N GLY A 123 0.178 -11.492 -7.213 1.00 13.34 N ATOM 1762 CA GLY A 123 1.365 -11.163 -7.932 1.00 72.31 C ATOM 1763 C GLY A 123 2.538 -11.868 -7.330 1.00 14.31 C ATOM 1764 O GLY A 123 2.481 -13.074 -7.079 1.00 43.12 O ATOM 0 H GLY A 123 0.342 -12.036 -6.366 1.00 13.34 H new ATOM 0 HA2 GLY A 123 1.257 -11.447 -8.979 1.00 72.31 H new ATOM 0 HA3 GLY A 123 1.527 -10.085 -7.910 1.00 72.31 H new ATOM 1768 N LEU A 124 3.590 -11.124 -7.051 1.00 21.41 N ATOM 1769 CA LEU A 124 4.788 -11.682 -6.429 1.00 31.23 C ATOM 1770 C LEU A 124 4.522 -12.049 -4.979 1.00 11.45 C ATOM 1771 O LEU A 124 5.282 -12.794 -4.367 1.00 4.34 O ATOM 1772 CB LEU A 124 5.961 -10.716 -6.520 1.00 64.05 C ATOM 1773 CG LEU A 124 6.451 -10.354 -7.916 1.00 33.31 C ATOM 1774 CD1 LEU A 124 7.610 -9.395 -7.807 1.00 72.00 C ATOM 1775 CD2 LEU A 124 6.867 -11.602 -8.689 1.00 73.21 C ATOM 0 H LEU A 124 3.645 -10.124 -7.244 1.00 21.41 H new ATOM 0 HA LEU A 124 5.050 -12.587 -6.977 1.00 31.23 H new ATOM 0 HB2 LEU A 124 5.681 -9.794 -6.009 1.00 64.05 H new ATOM 0 HB3 LEU A 124 6.797 -11.145 -5.968 1.00 64.05 H new ATOM 0 HG LEU A 124 5.636 -9.879 -8.462 1.00 33.31 H new ATOM 0 HD11 LEU A 124 7.962 -9.135 -8.805 1.00 72.00 H new ATOM 0 HD12 LEU A 124 7.287 -8.492 -7.289 1.00 72.00 H new ATOM 0 HD13 LEU A 124 8.419 -9.864 -7.248 1.00 72.00 H new ATOM 0 HD21 LEU A 124 7.213 -11.316 -9.682 1.00 73.21 H new ATOM 0 HD22 LEU A 124 7.672 -12.108 -8.156 1.00 73.21 H new ATOM 0 HD23 LEU A 124 6.014 -12.274 -8.781 1.00 73.21 H new ATOM 1783 N ASP A 125 3.444 -11.503 -4.443 1.00 63.31 N ATOM 1784 CA ASP A 125 3.022 -11.744 -3.063 1.00 31.13 C ATOM 1785 C ASP A 125 2.610 -13.216 -2.865 1.00 52.14 C ATOM 1786 O ASP A 125 2.664 -13.732 -1.773 1.00 45.42 O ATOM 1787 CB ASP A 125 1.891 -10.786 -2.700 1.00 35.40 C ATOM 1788 CG ASP A 125 1.372 -10.955 -1.286 1.00 55.24 C ATOM 1789 OD1 ASP A 125 1.987 -10.401 -0.362 1.00 1.41 O ATOM 1790 OD2 ASP A 125 0.344 -11.611 -1.119 1.00 30.30 O ATOM 0 H ASP A 125 2.827 -10.872 -4.954 1.00 63.31 H new ATOM 0 HA ASP A 125 3.860 -11.555 -2.392 1.00 31.13 H new ATOM 0 HB2 ASP A 125 2.241 -9.762 -2.828 1.00 35.40 H new ATOM 0 HB3 ASP A 125 1.067 -10.931 -3.399 1.00 35.40 H new ATOM 1795 N ARG A 126 2.231 -13.888 -3.975 1.00 63.41 N ATOM 1796 CA ARG A 126 1.935 -15.338 -3.986 1.00 10.30 C ATOM 1797 C ARG A 126 0.641 -15.709 -3.268 1.00 21.02 C ATOM 1798 O ARG A 126 0.455 -16.868 -2.882 1.00 65.43 O ATOM 1799 CB ARG A 126 3.086 -16.115 -3.373 1.00 50.53 C ATOM 1800 CG ARG A 126 4.391 -15.941 -4.099 1.00 50.15 C ATOM 1801 CD ARG A 126 5.465 -16.567 -3.301 1.00 11.05 C ATOM 1802 NE ARG A 126 6.801 -16.355 -3.867 1.00 30.04 N ATOM 1803 CZ ARG A 126 7.803 -15.699 -3.243 1.00 31.33 C ATOM 1804 NH1 ARG A 126 7.594 -15.106 -2.071 1.00 53.22 N ATOM 1805 NH2 ARG A 126 9.001 -15.622 -3.802 1.00 11.24 N ATOM 0 H ARG A 126 2.122 -13.442 -4.886 1.00 63.41 H new ATOM 0 HA ARG A 126 1.804 -15.605 -5.035 1.00 10.30 H new ATOM 0 HB2 ARG A 126 3.213 -15.801 -2.337 1.00 50.53 H new ATOM 0 HB3 ARG A 126 2.829 -17.174 -3.356 1.00 50.53 H new ATOM 0 HG2 ARG A 126 4.338 -16.400 -5.086 1.00 50.15 H new ATOM 0 HG3 ARG A 126 4.601 -14.882 -4.250 1.00 50.15 H new ATOM 0 HD2 ARG A 126 5.438 -16.165 -2.288 1.00 11.05 H new ATOM 0 HD3 ARG A 126 5.275 -17.638 -3.224 1.00 11.05 H new ATOM 0 HE ARG A 126 6.987 -16.729 -4.797 1.00 30.04 H new ATOM 0 HH11 ARG A 126 6.672 -15.145 -1.637 1.00 53.22 H new ATOM 0 HH12 ARG A 126 8.356 -14.613 -1.606 1.00 53.22 H new ATOM 0 HH21 ARG A 126 9.170 -16.059 -4.708 1.00 11.24 H new ATOM 0 HH22 ARG A 126 9.755 -15.125 -3.327 1.00 11.24 H new ATOM 1817 N LEU A 127 -0.268 -14.770 -3.119 1.00 24.31 N ATOM 1818 CA LEU A 127 -1.527 -15.053 -2.438 1.00 63.11 C ATOM 1819 C LEU A 127 -2.715 -14.774 -3.358 1.00 40.22 C ATOM 1820 O LEU A 127 -2.539 -14.310 -4.487 1.00 14.22 O ATOM 1821 CB LEU A 127 -1.641 -14.243 -1.135 1.00 63.21 C ATOM 1822 CG LEU A 127 -0.575 -14.517 -0.057 1.00 33.44 C ATOM 1823 CD1 LEU A 127 -0.809 -13.640 1.163 1.00 74.23 C ATOM 1824 CD2 LEU A 127 -0.570 -15.985 0.346 1.00 2.41 C ATOM 0 H LEU A 127 -0.168 -13.812 -3.454 1.00 24.31 H new ATOM 0 HA LEU A 127 -1.540 -16.111 -2.178 1.00 63.11 H new ATOM 0 HB2 LEU A 127 -1.605 -13.183 -1.388 1.00 63.21 H new ATOM 0 HB3 LEU A 127 -2.622 -14.434 -0.700 1.00 63.21 H new ATOM 0 HG LEU A 127 0.399 -14.275 -0.482 1.00 33.44 H new ATOM 0 HD11 LEU A 127 -0.046 -13.849 1.913 1.00 74.23 H new ATOM 0 HD12 LEU A 127 -0.755 -12.591 0.873 1.00 74.23 H new ATOM 0 HD13 LEU A 127 -1.794 -13.851 1.579 1.00 74.23 H new ATOM 0 HD21 LEU A 127 0.192 -16.151 1.108 1.00 2.41 H new ATOM 0 HD22 LEU A 127 -1.547 -16.256 0.745 1.00 2.41 H new ATOM 0 HD23 LEU A 127 -0.351 -16.601 -0.526 1.00 2.41 H new ATOM 1832 N GLN A 128 -3.919 -15.077 -2.898 1.00 1.04 N ATOM 1833 CA GLN A 128 -5.108 -14.811 -3.691 1.00 14.34 C ATOM 1834 C GLN A 128 -5.761 -13.517 -3.258 1.00 21.41 C ATOM 1835 O GLN A 128 -6.050 -13.326 -2.065 1.00 34.15 O ATOM 1836 CB GLN A 128 -6.125 -15.951 -3.597 1.00 74.11 C ATOM 1837 CG GLN A 128 -5.646 -17.283 -4.129 1.00 42.24 C ATOM 1838 CD GLN A 128 -5.275 -17.237 -5.599 1.00 62.11 C ATOM 1839 OE1 GLN A 128 -4.134 -16.966 -5.959 1.00 21.25 O ATOM 1840 NE2 GLN A 128 -6.227 -17.496 -6.455 1.00 63.20 N ATOM 0 H GLN A 128 -4.098 -15.503 -1.989 1.00 1.04 H new ATOM 0 HA GLN A 128 -4.785 -14.727 -4.729 1.00 14.34 H new ATOM 0 HB2 GLN A 128 -6.412 -16.076 -2.553 1.00 74.11 H new ATOM 0 HB3 GLN A 128 -7.024 -15.661 -4.142 1.00 74.11 H new ATOM 0 HG2 GLN A 128 -4.780 -17.608 -3.552 1.00 42.24 H new ATOM 0 HG3 GLN A 128 -6.427 -18.029 -3.980 1.00 42.24 H new ATOM 0 HE21 GLN A 128 -7.165 -17.718 -6.122 1.00 63.20 H new ATOM 0 HE22 GLN A 128 -6.032 -17.476 -7.456 1.00 63.20 H new ATOM 1848 N TRP A 129 -6.022 -12.647 -4.218 1.00 12.40 N ATOM 1849 CA TRP A 129 -6.652 -11.346 -3.965 1.00 42.12 C ATOM 1850 C TRP A 129 -8.040 -11.499 -3.372 1.00 35.24 C ATOM 1851 O TRP A 129 -8.485 -10.637 -2.611 1.00 1.42 O ATOM 1852 CB TRP A 129 -6.665 -10.481 -5.249 1.00 32.32 C ATOM 1853 CG TRP A 129 -7.377 -9.149 -5.119 1.00 72.53 C ATOM 1854 CD1 TRP A 129 -8.642 -8.856 -5.543 1.00 43.30 C ATOM 1855 CD2 TRP A 129 -6.873 -7.943 -4.519 1.00 71.01 C ATOM 1856 NE1 TRP A 129 -8.947 -7.553 -5.251 1.00 71.20 N ATOM 1857 CE2 TRP A 129 -7.883 -6.972 -4.622 1.00 20.33 C ATOM 1858 CE3 TRP A 129 -5.676 -7.591 -3.908 1.00 51.52 C ATOM 1859 CZ2 TRP A 129 -7.729 -5.675 -4.134 1.00 43.11 C ATOM 1860 CZ3 TRP A 129 -5.524 -6.305 -3.427 1.00 74.13 C ATOM 1861 CH2 TRP A 129 -6.544 -5.365 -3.542 1.00 73.41 C ATOM 0 H TRP A 129 -5.806 -12.816 -5.200 1.00 12.40 H new ATOM 0 HA TRP A 129 -6.050 -10.824 -3.221 1.00 42.12 H new ATOM 0 HB2 TRP A 129 -5.635 -10.297 -5.555 1.00 32.32 H new ATOM 0 HB3 TRP A 129 -7.138 -11.052 -6.048 1.00 32.32 H new ATOM 0 HD1 TRP A 129 -9.305 -9.551 -6.037 1.00 43.30 H new ATOM 0 HE1 TRP A 129 -9.829 -7.090 -5.469 1.00 71.20 H new ATOM 0 HE3 TRP A 129 -4.877 -8.311 -3.811 1.00 51.52 H new ATOM 0 HZ2 TRP A 129 -8.520 -4.945 -4.223 1.00 43.11 H new ATOM 0 HZ3 TRP A 129 -4.596 -6.023 -2.952 1.00 74.13 H new ATOM 0 HH2 TRP A 129 -6.392 -4.369 -3.153 1.00 73.41 H new ATOM 1872 N GLU A 130 -8.695 -12.610 -3.680 1.00 24.24 N ATOM 1873 CA GLU A 130 -10.023 -12.876 -3.169 1.00 32.51 C ATOM 1874 C GLU A 130 -10.021 -12.837 -1.629 1.00 41.31 C ATOM 1875 O GLU A 130 -10.933 -12.285 -1.010 1.00 63.04 O ATOM 1876 CB GLU A 130 -10.539 -14.221 -3.687 1.00 12.44 C ATOM 1877 CG GLU A 130 -11.971 -14.535 -3.281 1.00 25.32 C ATOM 1878 CD GLU A 130 -12.439 -15.864 -3.805 1.00 24.04 C ATOM 1879 OE1 GLU A 130 -12.230 -16.884 -3.127 1.00 53.12 O ATOM 1880 OE2 GLU A 130 -13.019 -15.917 -4.894 1.00 31.31 O ATOM 0 H GLU A 130 -8.322 -13.342 -4.285 1.00 24.24 H new ATOM 0 HA GLU A 130 -10.698 -12.099 -3.527 1.00 32.51 H new ATOM 0 HB2 GLU A 130 -10.471 -14.229 -4.775 1.00 12.44 H new ATOM 0 HB3 GLU A 130 -9.887 -15.014 -3.321 1.00 12.44 H new ATOM 0 HG2 GLU A 130 -12.047 -14.530 -2.194 1.00 25.32 H new ATOM 0 HG3 GLU A 130 -12.631 -13.750 -3.650 1.00 25.32 H new ATOM 1887 N ASN A 131 -8.989 -13.416 -1.021 1.00 1.34 N ATOM 1888 CA ASN A 131 -8.857 -13.384 0.443 1.00 51.32 C ATOM 1889 C ASN A 131 -8.375 -12.020 0.885 1.00 44.50 C ATOM 1890 O ASN A 131 -8.927 -11.423 1.799 1.00 3.34 O ATOM 1891 CB ASN A 131 -7.841 -14.400 0.954 1.00 2.52 C ATOM 1892 CG ASN A 131 -8.047 -15.788 0.452 1.00 65.44 C ATOM 1893 OD1 ASN A 131 -7.354 -16.108 -0.601 1.00 34.23 O flip ATOM 1894 ND2 ASN A 131 -8.774 -16.588 1.038 1.00 24.22 N flip ATOM 0 H ASN A 131 -8.239 -13.908 -1.506 1.00 1.34 H new ATOM 0 HA ASN A 131 -9.841 -13.619 0.848 1.00 51.32 H new ATOM 0 HB2 ASN A 131 -6.842 -14.069 0.670 1.00 2.52 H new ATOM 0 HB3 ASN A 131 -7.875 -14.413 2.043 1.00 2.52 H new ATOM 0 HD21 ASN A 131 -9.299 -16.292 1.861 1.00 24.22 H new ATOM 0 HD22 ASN A 131 -8.852 -17.548 0.701 1.00 24.22 H new ATOM 1900 N VAL A 132 -7.326 -11.529 0.202 1.00 55.11 N ATOM 1901 CA VAL A 132 -6.656 -10.271 0.563 1.00 65.51 C ATOM 1902 C VAL A 132 -7.633 -9.109 0.624 1.00 12.03 C ATOM 1903 O VAL A 132 -7.752 -8.455 1.654 1.00 60.53 O ATOM 1904 CB VAL A 132 -5.509 -9.910 -0.431 1.00 50.01 C ATOM 1905 CG1 VAL A 132 -4.837 -8.612 -0.026 1.00 40.42 C ATOM 1906 CG2 VAL A 132 -4.477 -11.019 -0.513 1.00 70.24 C ATOM 0 H VAL A 132 -6.922 -11.992 -0.612 1.00 55.11 H new ATOM 0 HA VAL A 132 -6.229 -10.436 1.552 1.00 65.51 H new ATOM 0 HB VAL A 132 -5.959 -9.786 -1.416 1.00 50.01 H new ATOM 0 HG11 VAL A 132 -4.040 -8.379 -0.732 1.00 40.42 H new ATOM 0 HG12 VAL A 132 -5.571 -7.806 -0.028 1.00 40.42 H new ATOM 0 HG13 VAL A 132 -4.416 -8.717 0.974 1.00 40.42 H new ATOM 0 HG21 VAL A 132 -3.692 -10.735 -1.214 1.00 70.24 H new ATOM 0 HG22 VAL A 132 -4.041 -11.184 0.472 1.00 70.24 H new ATOM 0 HG23 VAL A 132 -4.955 -11.936 -0.856 1.00 70.24 H new ATOM 1912 N SER A 133 -8.345 -8.892 -0.458 1.00 43.10 N ATOM 1913 CA SER A 133 -9.292 -7.807 -0.564 1.00 33.43 C ATOM 1914 C SER A 133 -10.392 -7.937 0.492 1.00 61.13 C ATOM 1915 O SER A 133 -10.793 -6.944 1.101 1.00 41.24 O ATOM 1916 CB SER A 133 -9.866 -7.771 -1.986 1.00 51.43 C ATOM 1917 OG SER A 133 -10.839 -6.756 -2.159 1.00 11.32 O ATOM 0 H SER A 133 -8.282 -9.469 -1.297 1.00 43.10 H new ATOM 0 HA SER A 133 -8.784 -6.862 -0.374 1.00 33.43 H new ATOM 0 HB2 SER A 133 -9.054 -7.615 -2.697 1.00 51.43 H new ATOM 0 HB3 SER A 133 -10.311 -8.738 -2.218 1.00 51.43 H new ATOM 0 HG SER A 133 -10.974 -6.592 -3.116 1.00 11.32 H new ATOM 1923 N ALA A 134 -10.831 -9.169 0.747 1.00 43.40 N ATOM 1924 CA ALA A 134 -11.866 -9.424 1.736 1.00 62.35 C ATOM 1925 C ALA A 134 -11.364 -9.093 3.142 1.00 33.54 C ATOM 1926 O ALA A 134 -12.117 -8.644 3.997 1.00 30.22 O ATOM 1927 CB ALA A 134 -12.332 -10.868 1.657 1.00 32.31 C ATOM 0 H ALA A 134 -10.482 -10.005 0.279 1.00 43.40 H new ATOM 0 HA ALA A 134 -12.716 -8.777 1.519 1.00 62.35 H new ATOM 0 HB1 ALA A 134 -13.107 -11.042 2.404 1.00 32.31 H new ATOM 0 HB2 ALA A 134 -12.735 -11.067 0.664 1.00 32.31 H new ATOM 0 HB3 ALA A 134 -11.489 -11.533 1.847 1.00 32.31 H new ATOM 1933 N MET A 135 -10.094 -9.315 3.374 1.00 62.44 N ATOM 1934 CA MET A 135 -9.510 -8.996 4.655 1.00 63.51 C ATOM 1935 C MET A 135 -9.291 -7.490 4.791 1.00 1.54 C ATOM 1936 O MET A 135 -9.547 -6.914 5.845 1.00 72.34 O ATOM 1937 CB MET A 135 -8.225 -9.812 4.902 1.00 40.13 C ATOM 1938 CG MET A 135 -7.559 -9.544 6.246 1.00 3.05 C ATOM 1939 SD MET A 135 -6.227 -10.717 6.627 1.00 54.34 S ATOM 1940 CE MET A 135 -5.093 -10.485 5.262 1.00 23.21 C ATOM 0 H MET A 135 -9.446 -9.714 2.695 1.00 62.44 H new ATOM 0 HA MET A 135 -10.212 -9.285 5.438 1.00 63.51 H new ATOM 0 HB2 MET A 135 -8.464 -10.873 4.834 1.00 40.13 H new ATOM 0 HB3 MET A 135 -7.512 -9.594 4.107 1.00 40.13 H new ATOM 0 HG2 MET A 135 -7.155 -8.531 6.249 1.00 3.05 H new ATOM 0 HG3 MET A 135 -8.312 -9.590 7.033 1.00 3.05 H new ATOM 0 HE1 MET A 135 -4.246 -11.162 5.374 1.00 23.21 H new ATOM 0 HE2 MET A 135 -5.605 -10.697 4.323 1.00 23.21 H new ATOM 0 HE3 MET A 135 -4.737 -9.455 5.256 1.00 23.21 H new ATOM 1950 N ILE A 136 -8.851 -6.850 3.710 1.00 45.21 N ATOM 1951 CA ILE A 136 -8.645 -5.413 3.696 1.00 23.24 C ATOM 1952 C ILE A 136 -9.975 -4.682 3.943 1.00 70.14 C ATOM 1953 O ILE A 136 -10.049 -3.765 4.768 1.00 4.20 O ATOM 1954 CB ILE A 136 -8.028 -4.938 2.339 1.00 41.24 C ATOM 1955 CG1 ILE A 136 -6.661 -5.593 2.102 1.00 73.42 C ATOM 1956 CG2 ILE A 136 -7.884 -3.423 2.313 1.00 70.52 C ATOM 1957 CD1 ILE A 136 -6.027 -5.235 0.769 1.00 43.14 C ATOM 0 H ILE A 136 -8.630 -7.313 2.828 1.00 45.21 H new ATOM 0 HA ILE A 136 -7.943 -5.172 4.494 1.00 23.24 H new ATOM 0 HB ILE A 136 -8.706 -5.242 1.541 1.00 41.24 H new ATOM 0 HG12 ILE A 136 -5.985 -5.299 2.905 1.00 73.42 H new ATOM 0 HG13 ILE A 136 -6.773 -6.676 2.160 1.00 73.42 H new ATOM 0 HG21 ILE A 136 -7.453 -3.115 1.360 1.00 70.52 H new ATOM 0 HG22 ILE A 136 -8.864 -2.962 2.434 1.00 70.52 H new ATOM 0 HG23 ILE A 136 -7.231 -3.106 3.126 1.00 70.52 H new ATOM 0 HD11 ILE A 136 -5.064 -5.737 0.678 1.00 43.14 H new ATOM 0 HD12 ILE A 136 -6.681 -5.554 -0.042 1.00 43.14 H new ATOM 0 HD13 ILE A 136 -5.880 -4.156 0.714 1.00 43.14 H new ATOM 1964 N GLU A 137 -11.027 -5.122 3.265 1.00 61.54 N ATOM 1965 CA GLU A 137 -12.320 -4.474 3.383 1.00 12.24 C ATOM 1966 C GLU A 137 -12.933 -4.629 4.776 1.00 45.23 C ATOM 1967 O GLU A 137 -13.691 -3.771 5.210 1.00 0.42 O ATOM 1968 CB GLU A 137 -13.281 -4.849 2.215 1.00 51.32 C ATOM 1969 CG GLU A 137 -13.763 -6.297 2.121 1.00 62.11 C ATOM 1970 CD GLU A 137 -14.871 -6.625 3.086 1.00 70.12 C ATOM 1971 OE1 GLU A 137 -15.987 -6.115 2.891 1.00 33.03 O ATOM 1972 OE2 GLU A 137 -14.677 -7.416 4.012 1.00 33.30 O ATOM 0 H GLU A 137 -11.008 -5.921 2.631 1.00 61.54 H new ATOM 0 HA GLU A 137 -12.148 -3.403 3.275 1.00 12.24 H new ATOM 0 HB2 GLU A 137 -14.160 -4.208 2.286 1.00 51.32 H new ATOM 0 HB3 GLU A 137 -12.781 -4.602 1.278 1.00 51.32 H new ATOM 0 HG2 GLU A 137 -14.107 -6.492 1.105 1.00 62.11 H new ATOM 0 HG3 GLU A 137 -12.921 -6.964 2.306 1.00 62.11 H new ATOM 1979 N GLU A 138 -12.599 -5.723 5.460 1.00 74.54 N ATOM 1980 CA GLU A 138 -13.059 -5.973 6.795 1.00 54.23 C ATOM 1981 C GLU A 138 -12.344 -5.049 7.785 1.00 63.20 C ATOM 1982 O GLU A 138 -12.970 -4.422 8.639 1.00 52.43 O ATOM 1983 CB GLU A 138 -12.757 -7.414 7.179 1.00 3.41 C ATOM 1984 CG GLU A 138 -13.291 -7.771 8.535 1.00 4.02 C ATOM 1985 CD GLU A 138 -12.837 -9.113 9.028 1.00 42.23 C ATOM 1986 OE1 GLU A 138 -13.413 -10.142 8.633 1.00 22.42 O ATOM 1987 OE2 GLU A 138 -11.889 -9.162 9.828 1.00 72.30 O ATOM 0 H GLU A 138 -11.996 -6.456 5.086 1.00 74.54 H new ATOM 0 HA GLU A 138 -14.133 -5.789 6.830 1.00 54.23 H new ATOM 0 HB2 GLU A 138 -13.188 -8.083 6.434 1.00 3.41 H new ATOM 0 HB3 GLU A 138 -11.679 -7.572 7.163 1.00 3.41 H new ATOM 0 HG2 GLU A 138 -12.982 -7.008 9.250 1.00 4.02 H new ATOM 0 HG3 GLU A 138 -14.380 -7.755 8.502 1.00 4.02 H new ATOM 1994 N VAL A 139 -11.028 -4.980 7.665 1.00 13.14 N ATOM 1995 CA VAL A 139 -10.207 -4.186 8.573 1.00 21.21 C ATOM 1996 C VAL A 139 -10.491 -2.682 8.435 1.00 31.23 C ATOM 1997 O VAL A 139 -10.495 -1.950 9.423 1.00 24.54 O ATOM 1998 CB VAL A 139 -8.684 -4.485 8.376 1.00 51.22 C ATOM 1999 CG1 VAL A 139 -7.816 -3.606 9.259 1.00 54.54 C ATOM 2000 CG2 VAL A 139 -8.393 -5.941 8.688 1.00 40.33 C ATOM 0 H VAL A 139 -10.499 -5.468 6.942 1.00 13.14 H new ATOM 0 HA VAL A 139 -10.480 -4.480 9.586 1.00 21.21 H new ATOM 0 HB VAL A 139 -8.445 -4.269 7.335 1.00 51.22 H new ATOM 0 HG11 VAL A 139 -6.766 -3.846 9.091 1.00 54.54 H new ATOM 0 HG12 VAL A 139 -7.992 -2.558 9.015 1.00 54.54 H new ATOM 0 HG13 VAL A 139 -8.066 -3.782 10.305 1.00 54.54 H new ATOM 0 HG21 VAL A 139 -7.330 -6.138 8.548 1.00 40.33 H new ATOM 0 HG22 VAL A 139 -8.668 -6.154 9.721 1.00 40.33 H new ATOM 0 HG23 VAL A 139 -8.972 -6.579 8.020 1.00 40.33 H new ATOM 2006 N PHE A 140 -10.736 -2.239 7.226 1.00 63.40 N ATOM 2007 CA PHE A 140 -11.001 -0.829 6.957 1.00 34.25 C ATOM 2008 C PHE A 140 -12.521 -0.522 6.898 1.00 64.33 C ATOM 2009 O PHE A 140 -12.915 0.578 6.492 1.00 72.21 O ATOM 2010 CB PHE A 140 -10.332 -0.399 5.632 1.00 51.33 C ATOM 2011 CG PHE A 140 -8.814 -0.394 5.642 1.00 44.54 C ATOM 2012 CD1 PHE A 140 -8.088 -1.575 5.584 1.00 74.33 C ATOM 2013 CD2 PHE A 140 -8.122 0.805 5.685 1.00 63.33 C ATOM 2014 CE1 PHE A 140 -6.707 -1.560 5.576 1.00 63.11 C ATOM 2015 CE2 PHE A 140 -6.738 0.826 5.678 1.00 1.15 C ATOM 2016 CZ PHE A 140 -6.032 -0.358 5.621 1.00 63.14 C ATOM 0 H PHE A 140 -10.759 -2.835 6.398 1.00 63.40 H new ATOM 0 HA PHE A 140 -10.577 -0.259 7.784 1.00 34.25 H new ATOM 0 HB2 PHE A 140 -10.671 -1.066 4.840 1.00 51.33 H new ATOM 0 HB3 PHE A 140 -10.680 0.602 5.377 1.00 51.33 H new ATOM 0 HD1 PHE A 140 -8.610 -2.519 5.545 1.00 74.33 H new ATOM 0 HD2 PHE A 140 -8.669 1.735 5.724 1.00 63.33 H new ATOM 0 HE1 PHE A 140 -6.156 -2.488 5.535 1.00 63.11 H new ATOM 0 HE2 PHE A 140 -6.211 1.768 5.717 1.00 1.15 H new ATOM 0 HZ PHE A 140 -4.952 -0.344 5.612 1.00 63.14 H new ATOM 2026 N GLU A 141 -13.356 -1.485 7.309 1.00 65.40 N ATOM 2027 CA GLU A 141 -14.840 -1.373 7.225 1.00 61.02 C ATOM 2028 C GLU A 141 -15.379 -0.122 7.923 1.00 31.43 C ATOM 2029 O GLU A 141 -16.280 0.549 7.421 1.00 2.23 O ATOM 2030 CB GLU A 141 -15.502 -2.633 7.809 1.00 24.00 C ATOM 2031 CG GLU A 141 -17.033 -2.646 7.800 1.00 24.11 C ATOM 2032 CD GLU A 141 -17.661 -2.700 6.413 1.00 13.43 C ATOM 2033 OE1 GLU A 141 -17.944 -1.636 5.823 1.00 23.23 O ATOM 2034 OE2 GLU A 141 -17.931 -3.824 5.923 1.00 34.45 O ATOM 0 H GLU A 141 -13.035 -2.366 7.710 1.00 65.40 H new ATOM 0 HA GLU A 141 -15.092 -1.282 6.169 1.00 61.02 H new ATOM 0 HB2 GLU A 141 -15.147 -3.499 7.251 1.00 24.00 H new ATOM 0 HB3 GLU A 141 -15.162 -2.756 8.837 1.00 24.00 H new ATOM 0 HG2 GLU A 141 -17.379 -3.505 8.374 1.00 24.11 H new ATOM 0 HG3 GLU A 141 -17.393 -1.754 8.313 1.00 24.11 H new ATOM 2041 N ALA A 142 -14.832 0.190 9.041 1.00 32.10 N ATOM 2042 CA ALA A 142 -15.271 1.344 9.780 1.00 4.24 C ATOM 2043 C ALA A 142 -14.202 2.406 9.828 1.00 13.24 C ATOM 2044 O ALA A 142 -13.572 2.643 10.867 1.00 2.31 O ATOM 2045 CB ALA A 142 -15.761 0.978 11.176 1.00 71.42 C ATOM 0 H ALA A 142 -14.073 -0.334 9.477 1.00 32.10 H new ATOM 0 HA ALA A 142 -16.125 1.760 9.245 1.00 4.24 H new ATOM 0 HB1 ALA A 142 -16.082 1.880 11.697 1.00 71.42 H new ATOM 0 HB2 ALA A 142 -16.600 0.286 11.097 1.00 71.42 H new ATOM 0 HB3 ALA A 142 -14.952 0.506 11.733 1.00 71.42 H new ATOM 2051 N THR A 143 -13.935 2.999 8.688 1.00 34.31 N ATOM 2052 CA THR A 143 -12.962 4.056 8.596 1.00 34.22 C ATOM 2053 C THR A 143 -13.432 5.097 7.601 1.00 4.25 C ATOM 2054 O THR A 143 -14.470 4.928 6.953 1.00 53.03 O ATOM 2055 CB THR A 143 -11.556 3.551 8.139 1.00 64.53 C ATOM 2056 OG1 THR A 143 -11.638 2.942 6.850 1.00 2.31 O ATOM 2057 CG2 THR A 143 -10.943 2.572 9.124 1.00 22.44 C ATOM 0 H THR A 143 -14.385 2.762 7.804 1.00 34.31 H new ATOM 0 HA THR A 143 -12.865 4.475 9.598 1.00 34.22 H new ATOM 0 HB THR A 143 -10.908 4.426 8.094 1.00 64.53 H new ATOM 0 HG1 THR A 143 -12.250 2.177 6.888 1.00 2.31 H new ATOM 0 HG21 THR A 143 -9.967 2.252 8.759 1.00 22.44 H new ATOM 0 HG22 THR A 143 -10.827 3.056 10.094 1.00 22.44 H new ATOM 0 HG23 THR A 143 -11.594 1.704 9.227 1.00 22.44 H new ATOM 2063 N ASP A 144 -12.685 6.166 7.496 1.00 54.40 N ATOM 2064 CA ASP A 144 -12.937 7.200 6.501 1.00 23.11 C ATOM 2065 C ASP A 144 -11.940 7.045 5.377 1.00 73.21 C ATOM 2066 O ASP A 144 -11.828 7.899 4.498 1.00 64.22 O ATOM 2067 CB ASP A 144 -12.794 8.603 7.115 1.00 35.32 C ATOM 2068 CG ASP A 144 -13.816 8.898 8.174 1.00 70.25 C ATOM 2069 OD1 ASP A 144 -13.571 8.572 9.353 1.00 31.24 O ATOM 2070 OD2 ASP A 144 -14.882 9.453 7.849 1.00 21.35 O ATOM 0 H ASP A 144 -11.881 6.353 8.095 1.00 54.40 H new ATOM 0 HA ASP A 144 -13.956 7.090 6.129 1.00 23.11 H new ATOM 0 HB2 ASP A 144 -11.797 8.703 7.545 1.00 35.32 H new ATOM 0 HB3 ASP A 144 -12.877 9.348 6.324 1.00 35.32 H new ATOM 2075 N ILE A 145 -11.232 5.937 5.404 1.00 1.52 N ATOM 2076 CA ILE A 145 -10.184 5.662 4.456 1.00 31.13 C ATOM 2077 C ILE A 145 -10.758 5.048 3.192 1.00 33.43 C ATOM 2078 O ILE A 145 -11.592 4.136 3.249 1.00 51.34 O ATOM 2079 CB ILE A 145 -9.123 4.696 5.060 1.00 4.21 C ATOM 2080 CG1 ILE A 145 -8.540 5.281 6.353 1.00 11.33 C ATOM 2081 CG2 ILE A 145 -8.002 4.414 4.049 1.00 20.41 C ATOM 2082 CD1 ILE A 145 -7.561 4.364 7.055 1.00 23.32 C ATOM 0 H ILE A 145 -11.372 5.197 6.092 1.00 1.52 H new ATOM 0 HA ILE A 145 -9.702 6.609 4.213 1.00 31.13 H new ATOM 0 HB ILE A 145 -9.617 3.753 5.295 1.00 4.21 H new ATOM 0 HG12 ILE A 145 -8.040 6.221 6.121 1.00 11.33 H new ATOM 0 HG13 ILE A 145 -9.357 5.514 7.035 1.00 11.33 H new ATOM 0 HG21 ILE A 145 -7.273 3.737 4.494 1.00 20.41 H new ATOM 0 HG22 ILE A 145 -8.425 3.956 3.155 1.00 20.41 H new ATOM 0 HG23 ILE A 145 -7.511 5.349 3.779 1.00 20.41 H new ATOM 0 HD11 ILE A 145 -7.193 4.848 7.960 1.00 23.32 H new ATOM 0 HD12 ILE A 145 -8.061 3.432 7.320 1.00 23.32 H new ATOM 0 HD13 ILE A 145 -6.723 4.150 6.392 1.00 23.32 H new ATOM 2089 N LYS A 146 -10.345 5.571 2.078 1.00 21.40 N ATOM 2090 CA LYS A 146 -10.696 5.033 0.801 1.00 55.43 C ATOM 2091 C LYS A 146 -9.477 4.457 0.137 1.00 40.03 C ATOM 2092 O LYS A 146 -8.464 5.149 -0.033 1.00 21.41 O ATOM 2093 CB LYS A 146 -11.360 6.082 -0.092 1.00 33.35 C ATOM 2094 CG LYS A 146 -12.771 6.479 0.336 1.00 20.41 C ATOM 2095 CD LYS A 146 -13.685 5.264 0.332 1.00 1.53 C ATOM 2096 CE LYS A 146 -15.127 5.624 0.633 1.00 34.21 C ATOM 2097 NZ LYS A 146 -15.984 4.421 0.658 1.00 63.33 N ATOM 0 H LYS A 146 -9.746 6.395 2.031 1.00 21.40 H new ATOM 0 HA LYS A 146 -11.425 4.238 0.956 1.00 55.43 H new ATOM 0 HB2 LYS A 146 -10.735 6.975 -0.108 1.00 33.35 H new ATOM 0 HB3 LYS A 146 -11.398 5.700 -1.112 1.00 33.35 H new ATOM 0 HG2 LYS A 146 -12.746 6.920 1.332 1.00 20.41 H new ATOM 0 HG3 LYS A 146 -13.163 7.240 -0.339 1.00 20.41 H new ATOM 0 HD2 LYS A 146 -13.631 4.775 -0.641 1.00 1.53 H new ATOM 0 HD3 LYS A 146 -13.331 4.544 1.070 1.00 1.53 H new ATOM 0 HE2 LYS A 146 -15.184 6.134 1.594 1.00 34.21 H new ATOM 0 HE3 LYS A 146 -15.495 6.321 -0.120 1.00 34.21 H new ATOM 0 HZ1 LYS A 146 -16.766 4.537 -0.018 1.00 63.33 H new ATOM 0 HZ2 LYS A 146 -15.420 3.588 0.395 1.00 63.33 H new ATOM 0 HZ3 LYS A 146 -16.371 4.290 1.615 1.00 63.33 H new ATOM 2111 N ILE A 147 -9.553 3.199 -0.201 1.00 11.54 N ATOM 2112 CA ILE A 147 -8.478 2.528 -0.857 1.00 25.32 C ATOM 2113 C ILE A 147 -8.761 2.388 -2.315 1.00 41.35 C ATOM 2114 O ILE A 147 -9.758 1.801 -2.726 1.00 60.22 O ATOM 2115 CB ILE A 147 -8.162 1.164 -0.212 1.00 13.43 C ATOM 2116 CG1 ILE A 147 -7.613 1.413 1.182 1.00 60.01 C ATOM 2117 CG2 ILE A 147 -7.167 0.367 -1.062 1.00 21.44 C ATOM 2118 CD1 ILE A 147 -7.279 0.160 1.959 1.00 55.33 C ATOM 0 H ILE A 147 -10.369 2.613 -0.026 1.00 11.54 H new ATOM 0 HA ILE A 147 -7.586 3.143 -0.737 1.00 25.32 H new ATOM 0 HB ILE A 147 -9.072 0.567 -0.150 1.00 13.43 H new ATOM 0 HG12 ILE A 147 -6.715 2.025 1.101 1.00 60.01 H new ATOM 0 HG13 ILE A 147 -8.343 1.992 1.748 1.00 60.01 H new ATOM 0 HG21 ILE A 147 -6.963 -0.590 -0.582 1.00 21.44 H new ATOM 0 HG22 ILE A 147 -7.590 0.194 -2.051 1.00 21.44 H new ATOM 0 HG23 ILE A 147 -6.238 0.930 -1.158 1.00 21.44 H new ATOM 0 HD11 ILE A 147 -6.894 0.433 2.942 1.00 55.33 H new ATOM 0 HD12 ILE A 147 -8.178 -0.445 2.077 1.00 55.33 H new ATOM 0 HD13 ILE A 147 -6.524 -0.412 1.420 1.00 55.33 H new ATOM 2125 N THR A 148 -7.898 2.924 -3.080 1.00 23.22 N ATOM 2126 CA THR A 148 -8.049 2.913 -4.498 1.00 74.53 C ATOM 2127 C THR A 148 -7.031 1.943 -5.090 1.00 11.30 C ATOM 2128 O THR A 148 -5.832 2.146 -4.952 1.00 43.15 O ATOM 2129 CB THR A 148 -7.797 4.327 -5.058 1.00 71.31 C ATOM 2130 OG1 THR A 148 -8.574 5.277 -4.305 1.00 31.53 O ATOM 2131 CG2 THR A 148 -8.214 4.405 -6.516 1.00 33.21 C ATOM 0 H THR A 148 -7.054 3.391 -2.749 1.00 23.22 H new ATOM 0 HA THR A 148 -9.060 2.601 -4.760 1.00 74.53 H new ATOM 0 HB THR A 148 -6.733 4.551 -4.978 1.00 71.31 H new ATOM 0 HG1 THR A 148 -8.417 6.179 -4.655 1.00 31.53 H new ATOM 0 HG21 THR A 148 -8.029 5.410 -6.894 1.00 33.21 H new ATOM 0 HG22 THR A 148 -7.637 3.686 -7.098 1.00 33.21 H new ATOM 0 HG23 THR A 148 -9.276 4.174 -6.604 1.00 33.21 H new ATOM 2137 N VAL A 149 -7.479 0.884 -5.708 1.00 72.53 N ATOM 2138 CA VAL A 149 -6.526 -0.014 -6.287 1.00 62.12 C ATOM 2139 C VAL A 149 -6.468 0.195 -7.776 1.00 0.05 C ATOM 2140 O VAL A 149 -7.505 0.257 -8.457 1.00 65.24 O ATOM 2141 CB VAL A 149 -6.751 -1.535 -5.951 1.00 71.11 C ATOM 2142 CG1 VAL A 149 -6.935 -1.764 -4.478 1.00 62.32 C ATOM 2143 CG2 VAL A 149 -7.852 -2.183 -6.752 1.00 15.15 C ATOM 0 H VAL A 149 -8.460 0.630 -5.820 1.00 72.53 H new ATOM 0 HA VAL A 149 -5.570 0.235 -5.826 1.00 62.12 H new ATOM 0 HB VAL A 149 -5.831 -2.033 -6.257 1.00 71.11 H new ATOM 0 HG11 VAL A 149 -7.087 -2.827 -4.291 1.00 62.32 H new ATOM 0 HG12 VAL A 149 -6.048 -1.425 -3.943 1.00 62.32 H new ATOM 0 HG13 VAL A 149 -7.804 -1.206 -4.129 1.00 62.32 H new ATOM 0 HG21 VAL A 149 -7.945 -3.230 -6.463 1.00 15.15 H new ATOM 0 HG22 VAL A 149 -8.793 -1.668 -6.559 1.00 15.15 H new ATOM 0 HG23 VAL A 149 -7.615 -2.120 -7.814 1.00 15.15 H new ATOM 2149 N TYR A 150 -5.290 0.361 -8.272 1.00 12.35 N ATOM 2150 CA TYR A 150 -5.103 0.476 -9.675 1.00 73.12 C ATOM 2151 C TYR A 150 -4.845 -0.864 -10.262 1.00 54.10 C ATOM 2152 O TYR A 150 -3.912 -1.582 -9.865 1.00 22.23 O ATOM 2153 CB TYR A 150 -4.044 1.511 -10.056 1.00 65.20 C ATOM 2154 CG TYR A 150 -4.567 2.923 -9.964 1.00 13.14 C ATOM 2155 CD1 TYR A 150 -4.769 3.541 -8.743 1.00 52.00 C ATOM 2156 CD2 TYR A 150 -4.895 3.628 -11.117 1.00 43.40 C ATOM 2157 CE1 TYR A 150 -5.277 4.821 -8.672 1.00 2.41 C ATOM 2158 CE2 TYR A 150 -5.405 4.905 -11.051 1.00 45.04 C ATOM 2159 CZ TYR A 150 -5.594 5.499 -9.830 1.00 2.31 C ATOM 2160 OH TYR A 150 -6.120 6.773 -9.763 1.00 13.43 O ATOM 0 H TYR A 150 -4.435 0.420 -7.719 1.00 12.35 H new ATOM 0 HA TYR A 150 -6.027 0.861 -10.107 1.00 73.12 H new ATOM 0 HB2 TYR A 150 -3.180 1.402 -9.401 1.00 65.20 H new ATOM 0 HB3 TYR A 150 -3.700 1.319 -11.072 1.00 65.20 H new ATOM 0 HD1 TYR A 150 -4.525 3.014 -7.833 1.00 52.00 H new ATOM 0 HD2 TYR A 150 -4.747 3.165 -12.082 1.00 43.40 H new ATOM 0 HE1 TYR A 150 -5.426 5.291 -7.711 1.00 2.41 H new ATOM 0 HE2 TYR A 150 -5.655 5.437 -11.957 1.00 45.04 H new ATOM 0 HH TYR A 150 -6.285 7.107 -10.669 1.00 13.43 H new ATOM 2170 N THR A 151 -5.675 -1.213 -11.169 1.00 62.13 N ATOM 2171 CA THR A 151 -5.637 -2.469 -11.771 1.00 63.21 C ATOM 2172 C THR A 151 -5.051 -2.415 -13.146 1.00 2.14 C ATOM 2173 O THR A 151 -5.540 -1.729 -14.017 1.00 60.50 O ATOM 2174 CB THR A 151 -7.039 -3.108 -11.813 1.00 41.03 C ATOM 2175 OG1 THR A 151 -8.001 -2.184 -12.329 1.00 5.34 O ATOM 2176 CG2 THR A 151 -7.472 -3.596 -10.448 1.00 43.11 C ATOM 0 H THR A 151 -6.418 -0.607 -11.517 1.00 62.13 H new ATOM 0 HA THR A 151 -4.987 -3.093 -11.157 1.00 63.21 H new ATOM 0 HB THR A 151 -6.981 -3.970 -12.477 1.00 41.03 H new ATOM 0 HG1 THR A 151 -8.884 -2.608 -12.349 1.00 5.34 H new ATOM 0 HG21 THR A 151 -8.465 -4.040 -10.518 1.00 43.11 H new ATOM 0 HG22 THR A 151 -6.765 -4.343 -10.088 1.00 43.11 H new ATOM 0 HG23 THR A 151 -7.498 -2.757 -9.753 1.00 43.11 H new ATOM 2182 N LEU A 152 -3.964 -3.063 -13.287 1.00 43.22 N ATOM 2183 CA LEU A 152 -3.343 -3.264 -14.540 1.00 63.51 C ATOM 2184 C LEU A 152 -2.995 -4.710 -14.709 1.00 43.42 C ATOM 2185 O LEU A 152 -2.041 -5.191 -14.072 1.00 38.14 O ATOM 2186 CB LEU A 152 -2.151 -2.325 -14.794 1.00 3.31 C ATOM 2187 CG LEU A 152 -1.081 -2.201 -13.722 1.00 4.04 C ATOM 2188 CD1 LEU A 152 0.037 -1.390 -14.273 1.00 60.15 C ATOM 2189 CD2 LEU A 152 -1.638 -1.493 -12.518 1.00 2.14 C ATOM 2190 OXT LEU A 152 -3.713 -5.391 -15.448 1.00 38.14 O ATOM 0 H LEU A 152 -3.460 -3.485 -12.507 1.00 43.22 H new ATOM 0 HA LEU A 152 -4.063 -2.993 -15.312 1.00 63.51 H new ATOM 0 HB2 LEU A 152 -1.663 -2.651 -15.713 1.00 3.31 H new ATOM 0 HB3 LEU A 152 -2.549 -1.328 -14.981 1.00 3.31 H new ATOM 0 HG LEU A 152 -0.738 -3.194 -13.430 1.00 4.04 H new ATOM 0 HD11 LEU A 152 0.818 -1.288 -13.520 1.00 60.15 H new ATOM 0 HD12 LEU A 152 0.445 -1.885 -15.154 1.00 60.15 H new ATOM 0 HD13 LEU A 152 -0.332 -0.402 -14.550 1.00 60.15 H new ATOM 0 HD21 LEU A 152 -0.864 -1.409 -11.755 1.00 2.14 H new ATOM 0 HD22 LEU A 152 -1.974 -0.497 -12.805 1.00 2.14 H new ATOM 0 HD23 LEU A 152 -2.480 -2.060 -12.120 1.00 2.14 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.285 0.595 -11.344 1.00 13.34 N HETATM 2200 C2 APR A 186 0.367 -0.215 -10.804 1.00 72.45 C HETATM 2201 N3 APR A 186 0.585 -1.511 -10.687 1.00 54.01 N HETATM 2202 C4 APR A 186 1.717 -2.056 -11.106 1.00 72.15 C HETATM 2203 C5 APR A 186 2.683 -1.278 -11.669 1.00 24.11 C HETATM 2204 C6 APR A 186 2.454 0.085 -11.786 1.00 40.53 C HETATM 2205 N6 APR A 186 3.370 0.877 -12.329 1.00 62.10 N HETATM 2206 N7 APR A 186 3.700 -2.069 -11.997 1.00 43.32 N HETATM 2207 C8 APR A 186 3.364 -3.326 -11.641 1.00 32.32 C HETATM 2208 N9 APR A 186 2.135 -3.292 -11.098 1.00 35.12 N HETATM 2209 C1' APR A 186 1.333 -4.464 -10.568 1.00 4.11 C HETATM 2210 C2' APR A 186 1.389 -5.637 -11.591 1.00 64.15 C HETATM 2211 O2' APR A 186 0.424 -5.476 -12.580 1.00 55.22 O HETATM 2212 C3' APR A 186 1.062 -6.860 -10.690 1.00 71.03 C HETATM 2213 O3' APR A 186 -0.269 -7.240 -10.843 1.00 13.44 O HETATM 2214 O4' APR A 186 1.841 -4.972 -9.351 1.00 71.24 O HETATM 2215 C4' APR A 186 1.319 -6.307 -9.221 1.00 52.23 C HETATM 2216 C5' APR A 186 2.320 -7.243 -8.489 1.00 20.34 C HETATM 2217 O5' APR A 186 3.536 -6.554 -8.196 1.00 61.04 O HETATM 2218 PA APR A 186 4.336 -6.895 -6.852 1.00 64.12 P HETATM 2219 O1A APR A 186 5.818 -6.783 -6.990 1.00 53.54 O HETATM 2220 O2A APR A 186 3.891 -8.393 -6.434 1.00 63.23 O HETATM 2221 O3A APR A 186 3.770 -5.899 -5.716 1.00 32.33 O HETATM 2222 PB APR A 186 4.477 -5.787 -4.268 1.00 72.30 P HETATM 2223 O1B APR A 186 3.505 -5.813 -3.135 1.00 61.51 O HETATM 2224 O2B APR A 186 5.335 -4.396 -4.250 1.00 54.04 O HETATM 2225 O5D APR A 186 5.545 -6.981 -4.171 1.00 51.32 O HETATM 2226 C5D APR A 186 5.207 -8.199 -3.502 1.00 72.45 C HETATM 2227 O4D APR A 186 7.432 -8.857 -4.373 1.00 35.15 O HETATM 2228 O1D APR A 186 7.898 -6.564 -3.879 1.00 10.04 O HETATM 2229 C1D APR A 186 8.362 -7.943 -3.807 1.00 33.43 C HETATM 2230 O2D APR A 186 9.507 -9.361 -2.192 1.00 42.40 O HETATM 2231 C2D APR A 186 8.538 -8.367 -2.311 1.00 13.32 C HETATM 2232 O3D APR A 186 7.175 -10.088 -1.205 1.00 54.30 O HETATM 2233 C3D APR A 186 7.136 -8.919 -1.959 1.00 1.22 C HETATM 2234 C4D APR A 186 6.457 -9.130 -3.368 1.00 12.42 C HETATM 0 HR'4 APR A 186 6.106 -10.156 -3.482 1.00 12.42 H new HETATM 0 HR'3 APR A 186 6.578 -8.236 -1.319 1.00 1.22 H new HETATM 0 HR'2 APR A 186 8.865 -7.557 -1.659 1.00 13.32 H new HETATM 0 HR'1 APR A 186 9.300 -7.979 -4.361 1.00 33.43 H new HETATM 0 HOR3 APR A 186 6.261 -10.385 -1.014 1.00 54.30 H new HETATM 0 HOR2 APR A 186 9.209 -10.032 -1.543 1.00 42.40 H new HETATM 0 HOR1 APR A 186 6.968 -6.516 -3.575 1.00 10.04 H new HETATM 0 HO'3 APR A 186 -0.457 -8.012 -10.270 1.00 13.44 H new HETATM 0 HO'2 APR A 186 -0.411 -5.901 -12.294 1.00 55.22 H new HETATM 0 H5R2 APR A 186 4.807 -7.976 -2.513 1.00 72.45 H new HETATM 0 H5R1 APR A 186 4.422 -8.716 -4.054 1.00 72.45 H new HETATM 0 H5'2 APR A 186 1.873 -7.610 -7.565 1.00 20.34 H new HETATM 0 H5'1 APR A 186 2.531 -8.114 -9.109 1.00 20.34 H new HETATM 0 H8 APR A 186 3.982 -4.215 -11.771 1.00 32.32 H new HETATM 0 H62 APR A 186 4.251 0.485 -12.661 1.00 62.10 H new HETATM 0 H61 APR A 186 3.193 1.878 -12.414 1.00 62.10 H new HETATM 0 H2 APR A 186 -0.577 0.203 -10.455 1.00 72.45 H new HETATM 0 H'4 APR A 186 0.402 -6.282 -8.632 1.00 52.23 H new HETATM 0 H'3 APR A 186 1.658 -7.741 -10.929 1.00 71.03 H new HETATM 0 H'2 APR A 186 2.338 -5.720 -12.122 1.00 64.15 H new HETATM 0 H'1 APR A 186 0.321 -4.092 -10.409 1.00 4.11 H new