USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 ASN : amide:sc= -3.11 K(o=-3.5,f=-7.6!) USER MOD Set 1.2: A 120 ASN : amide:sc= -0.374 K(o=-3.5,f=-7.5) USER MOD Set 2.1: A 94 HIS : no HD1:sc= -1.08 X(o=-1,f=-1.3) USER MOD Set 2.2: A 104 TYR OH : rot -172:sc= 0.0636 USER MOD Set 3.1: A 75 THR OG1 : rot -179:sc= -1.02 USER MOD Set 3.2: A 90 TYR OH : rot 130:sc= -0.816 USER MOD Set 3.3: A 124 LYS NZ :NH3+ 176:sc= 0.576 (180deg=0.00427) USER MOD Set 4.1: A 89 SER OG : rot -170:sc= -0.589 USER MOD Set 4.2: A 142 SER OG : rot 180:sc= -0.577 USER MOD Set 5.1: A 85 GLN : amide:sc= -1.65 X(o=-3.2,f=-3.2!) USER MOD Set 5.2: A 148 THR OG1 : rot 71:sc= -1.54! USER MOD Set 6.1: A 21 SER OG : rot -120:sc= -0.26 USER MOD Set 6.2: A 52 GLN : amide:sc= 0.525 X(o=0.26,f=0.48) USER MOD Single : A 1 CYS N :NH3+ -122:sc= 0.0992 (180deg=0) USER MOD Single : A 2 SER OG : rot -2:sc= 0.584 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.501 K(o=-0.5,f=-2.2) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 THR OG1 : rot -9:sc= 0.689 USER MOD Single : A 15 SER OG : rot -64:sc= 0.0786 USER MOD Single : A 16 GLN : amide:sc= -2.62 K(o=-2.6,f=-11!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -106:sc= 1.03 USER MOD Single : A 20 SER OG : rot 112:sc= 2.16 USER MOD Single : A 22 SER OG : rot -129:sc= 1.22 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-5.4!) USER MOD Single : A 42 ASN : amide:sc= -2.18 K(o=-2.2,f=-2.7!) USER MOD Single : A 43 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.033) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -3.06 F(o=-3.7,f=-3.1) USER MOD Single : A 50 THR OG1 : rot -149:sc= -2.73! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -3.49! C(o=-4.4!,f=-3.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.251 X(o=0.25,f=-0.028) USER MOD Single : A 66 THR OG1 : rot -21:sc= 0.807 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.01) USER MOD Single : A 71 THR OG1 : rot -80:sc= -1.21 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.52 F(o=-2.4,f=-1.5) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 0.708 (180deg=0.416) USER MOD Single : A 95 SER OG : rot 73:sc= 1.09 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.016) USER MOD Single : A 116 ASN : amide:sc= 0.429 K(o=0.43,f=-0.19) USER MOD Single : A 121 SER OG : rot -10:sc= 0.174! USER MOD Single : A 122 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.015) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 177:sc= -1.52 (180deg=-1.59) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 144 HIS : no HE2:sc= 0.00346 X(o=0.0035,f=-0.3) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.897 F(o=-1.8,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 4.642 15.191 -13.761 1.00 52.11 N ATOM 75 CA CYS A 1 3.935 14.445 -12.728 1.00 45.21 C ATOM 76 C CYS A 1 4.165 12.944 -12.888 1.00 54.22 C ATOM 77 O CYS A 1 4.961 12.513 -13.722 1.00 12.21 O ATOM 78 CB CYS A 1 2.437 14.750 -12.784 1.00 74.23 C ATOM 79 SG CYS A 1 1.943 16.227 -11.838 1.00 11.34 S ATOM 0 H1 CYS A 1 5.298 15.864 -13.316 1.00 52.11 H new ATOM 0 H2 CYS A 1 5.177 14.531 -14.361 1.00 52.11 H new ATOM 0 H3 CYS A 1 3.956 15.711 -14.344 1.00 52.11 H new ATOM 0 HA CYS A 1 4.326 14.755 -11.759 1.00 45.21 H new ATOM 0 HB2 CYS A 1 2.143 14.883 -13.825 1.00 74.23 H new ATOM 0 HB3 CYS A 1 1.887 13.888 -12.405 1.00 74.23 H new ATOM 83 N SER A 2 3.463 12.155 -12.082 1.00 22.41 N ATOM 84 CA SER A 2 3.592 10.703 -12.131 1.00 23.22 C ATOM 85 C SER A 2 5.058 10.286 -12.063 1.00 42.50 C ATOM 86 O SER A 2 5.569 9.628 -12.968 1.00 5.53 O ATOM 87 CB SER A 2 2.954 10.155 -13.409 1.00 73.41 C ATOM 88 OG SER A 2 3.737 10.471 -14.546 1.00 64.32 O ATOM 0 H SER A 2 2.799 12.496 -11.387 1.00 22.41 H new ATOM 0 HA SER A 2 3.073 10.288 -11.267 1.00 23.22 H new ATOM 0 HB2 SER A 2 2.843 9.074 -13.329 1.00 73.41 H new ATOM 0 HB3 SER A 2 1.953 10.570 -13.526 1.00 73.41 H new ATOM 0 HG SER A 2 4.514 11.001 -14.271 1.00 64.32 H new ATOM 93 N GLU A 3 5.729 10.675 -10.982 1.00 41.24 N ATOM 94 CA GLU A 3 7.136 10.343 -10.797 1.00 53.44 C ATOM 95 C GLU A 3 7.290 9.077 -9.959 1.00 34.14 C ATOM 96 O GLU A 3 6.444 8.745 -9.128 1.00 13.12 O ATOM 97 CB GLU A 3 7.873 11.505 -10.126 1.00 22.10 C ATOM 98 CG GLU A 3 7.934 12.761 -10.980 1.00 21.44 C ATOM 99 CD GLU A 3 8.958 12.659 -12.094 1.00 24.11 C ATOM 100 OE1 GLU A 3 10.122 12.314 -11.802 1.00 61.51 O ATOM 101 OE2 GLU A 3 8.593 12.924 -13.259 1.00 40.43 O ATOM 0 H GLU A 3 5.320 11.220 -10.223 1.00 41.24 H new ATOM 0 HA GLU A 3 7.573 10.164 -11.779 1.00 53.44 H new ATOM 0 HB2 GLU A 3 7.380 11.741 -9.183 1.00 22.10 H new ATOM 0 HB3 GLU A 3 8.888 11.190 -9.885 1.00 22.10 H new ATOM 0 HG2 GLU A 3 6.951 12.951 -11.411 1.00 21.44 H new ATOM 0 HG3 GLU A 3 8.175 13.615 -10.347 1.00 21.44 H new ATOM 106 N PRO A 4 8.397 8.352 -10.181 1.00 63.34 N ATOM 107 CA PRO A 4 8.688 7.111 -9.457 1.00 53.00 C ATOM 108 C PRO A 4 9.029 7.361 -7.992 1.00 52.14 C ATOM 109 O PRO A 4 8.148 7.366 -7.131 1.00 44.23 O ATOM 110 CB PRO A 4 9.901 6.545 -10.199 1.00 22.10 C ATOM 111 CG PRO A 4 10.557 7.732 -10.815 1.00 72.21 C ATOM 112 CD PRO A 4 9.447 8.688 -11.157 1.00 20.54 C ATOM 0 HA PRO A 4 7.830 6.439 -9.438 1.00 53.00 H new ATOM 0 HB2 PRO A 4 10.577 6.029 -9.517 1.00 22.10 H new ATOM 0 HB3 PRO A 4 9.599 5.822 -10.957 1.00 22.10 H new ATOM 0 HG2 PRO A 4 11.266 8.188 -10.124 1.00 72.21 H new ATOM 0 HG3 PRO A 4 11.117 7.450 -11.706 1.00 72.21 H new ATOM 0 HD2 PRO A 4 9.767 9.726 -11.062 1.00 20.54 H new ATOM 0 HD3 PRO A 4 9.101 8.553 -12.182 1.00 20.54 H new ATOM 117 N LEU A 5 10.311 7.569 -7.715 1.00 75.15 N ATOM 118 CA LEU A 5 10.769 7.822 -6.353 1.00 63.05 C ATOM 119 C LEU A 5 12.279 8.030 -6.315 1.00 13.14 C ATOM 120 O LEU A 5 12.769 8.998 -5.735 1.00 72.35 O ATOM 121 CB LEU A 5 10.379 6.658 -5.440 1.00 63.40 C ATOM 122 CG LEU A 5 10.576 5.256 -6.019 1.00 71.43 C ATOM 123 CD1 LEU A 5 11.863 4.638 -5.495 1.00 44.20 C ATOM 124 CD2 LEU A 5 9.383 4.371 -5.686 1.00 4.53 C ATOM 0 H LEU A 5 11.052 7.568 -8.415 1.00 75.15 H new ATOM 0 HA LEU A 5 10.288 8.733 -5.997 1.00 63.05 H new ATOM 0 HB2 LEU A 5 10.958 6.734 -4.520 1.00 63.40 H new ATOM 0 HB3 LEU A 5 9.330 6.772 -5.167 1.00 63.40 H new ATOM 0 HG LEU A 5 10.652 5.338 -7.103 1.00 71.43 H new ATOM 0 HD11 LEU A 5 11.986 3.641 -5.918 1.00 44.20 H new ATOM 0 HD12 LEU A 5 12.710 5.261 -5.783 1.00 44.20 H new ATOM 0 HD13 LEU A 5 11.817 4.568 -4.408 1.00 44.20 H new ATOM 0 HD21 LEU A 5 9.539 3.377 -6.105 1.00 4.53 H new ATOM 0 HD22 LEU A 5 9.277 4.296 -4.604 1.00 4.53 H new ATOM 0 HD23 LEU A 5 8.478 4.806 -6.110 1.00 4.53 H new ATOM 135 N GLY A 6 13.013 7.114 -6.940 1.00 42.13 N ATOM 136 CA GLY A 6 14.460 7.216 -6.968 1.00 41.33 C ATOM 137 C GLY A 6 15.040 6.866 -8.324 1.00 52.02 C ATOM 138 O GLY A 6 16.090 6.227 -8.413 1.00 70.12 O ATOM 0 H GLY A 6 12.631 6.303 -7.427 1.00 42.13 H new ATOM 0 HA2 GLY A 6 14.755 8.231 -6.701 1.00 41.33 H new ATOM 0 HA3 GLY A 6 14.883 6.553 -6.213 1.00 41.33 H new ATOM 142 N LEU A 7 14.356 7.284 -9.384 1.00 10.04 N ATOM 143 CA LEU A 7 14.809 7.010 -10.743 1.00 2.54 C ATOM 144 C LEU A 7 15.018 8.306 -11.519 1.00 73.05 C ATOM 145 O LEU A 7 15.425 8.289 -12.681 1.00 32.53 O ATOM 146 CB LEU A 7 13.796 6.124 -11.471 1.00 34.21 C ATOM 147 CG LEU A 7 13.284 4.912 -10.691 1.00 72.14 C ATOM 148 CD1 LEU A 7 12.116 4.265 -11.420 1.00 21.44 C ATOM 149 CD2 LEU A 7 14.404 3.906 -10.473 1.00 63.12 C ATOM 0 H LEU A 7 13.486 7.814 -9.328 1.00 10.04 H new ATOM 0 HA LEU A 7 15.763 6.486 -10.683 1.00 2.54 H new ATOM 0 HB2 LEU A 7 12.941 6.739 -11.751 1.00 34.21 H new ATOM 0 HB3 LEU A 7 14.251 5.770 -12.396 1.00 34.21 H new ATOM 0 HG LEU A 7 12.934 5.251 -9.716 1.00 72.14 H new ATOM 0 HD11 LEU A 7 11.764 3.404 -10.851 1.00 21.44 H new ATOM 0 HD12 LEU A 7 11.306 4.987 -11.523 1.00 21.44 H new ATOM 0 HD13 LEU A 7 12.440 3.939 -12.408 1.00 21.44 H new ATOM 0 HD21 LEU A 7 14.021 3.050 -9.916 1.00 63.12 H new ATOM 0 HD22 LEU A 7 14.785 3.571 -11.438 1.00 63.12 H new ATOM 0 HD23 LEU A 7 15.210 4.375 -9.908 1.00 63.12 H new ATOM 160 N LYS A 8 14.736 9.431 -10.870 1.00 70.42 N ATOM 161 CA LYS A 8 14.895 10.738 -11.496 1.00 11.10 C ATOM 162 C LYS A 8 16.145 11.441 -10.978 1.00 12.25 C ATOM 163 O LYS A 8 17.115 11.626 -11.714 1.00 61.00 O ATOM 164 CB LYS A 8 13.664 11.606 -11.233 1.00 74.53 C ATOM 165 CG LYS A 8 13.536 12.786 -12.181 1.00 23.15 C ATOM 166 CD LYS A 8 14.147 14.045 -11.590 1.00 51.32 C ATOM 167 CE LYS A 8 13.529 15.299 -12.189 1.00 63.14 C ATOM 168 NZ LYS A 8 14.310 15.800 -13.354 1.00 70.14 N ATOM 0 H LYS A 8 14.396 9.463 -9.909 1.00 70.42 H new ATOM 0 HA LYS A 8 15.003 10.587 -12.570 1.00 11.10 H new ATOM 0 HB2 LYS A 8 12.770 10.988 -11.314 1.00 74.53 H new ATOM 0 HB3 LYS A 8 13.704 11.977 -10.209 1.00 74.53 H new ATOM 0 HG2 LYS A 8 14.028 12.550 -13.125 1.00 23.15 H new ATOM 0 HG3 LYS A 8 12.484 12.962 -12.405 1.00 23.15 H new ATOM 0 HD2 LYS A 8 14.003 14.048 -10.510 1.00 51.32 H new ATOM 0 HD3 LYS A 8 15.222 14.047 -11.768 1.00 51.32 H new ATOM 0 HE2 LYS A 8 12.507 15.086 -12.502 1.00 63.14 H new ATOM 0 HE3 LYS A 8 13.474 16.076 -11.427 1.00 63.14 H new ATOM 0 HZ1 LYS A 8 13.857 16.655 -13.734 1.00 70.14 H new ATOM 0 HZ2 LYS A 8 15.279 16.027 -13.051 1.00 70.14 H new ATOM 0 HZ3 LYS A 8 14.341 15.068 -14.092 1.00 70.14 H new ATOM 178 N ASN A 9 16.118 11.829 -9.707 1.00 60.33 N ATOM 179 CA ASN A 9 17.250 12.511 -9.091 1.00 22.45 C ATOM 180 C ASN A 9 17.558 11.921 -7.718 1.00 0.25 C ATOM 181 O ASN A 9 18.720 11.759 -7.347 1.00 53.41 O ATOM 182 CB ASN A 9 16.963 14.008 -8.963 1.00 23.11 C ATOM 183 CG ASN A 9 17.591 14.814 -10.084 1.00 75.32 C ATOM 184 OD1 ASN A 9 16.890 15.445 -10.876 1.00 11.41 O ATOM 185 ND2 ASN A 9 18.917 14.798 -10.153 1.00 41.04 N ATOM 0 H ASN A 9 15.324 11.683 -9.084 1.00 60.33 H new ATOM 0 HA ASN A 9 18.120 12.369 -9.732 1.00 22.45 H new ATOM 0 HB2 ASN A 9 15.885 14.170 -8.962 1.00 23.11 H new ATOM 0 HB3 ASN A 9 17.340 14.367 -8.005 1.00 23.11 H new ATOM 0 HD21 ASN A 9 19.396 15.323 -10.885 1.00 41.04 H new ATOM 0 HD22 ASN A 9 19.457 14.261 -9.474 1.00 41.04 H new ATOM 191 N ASN A 10 16.508 11.602 -6.968 1.00 11.21 N ATOM 192 CA ASN A 10 16.666 11.031 -5.636 1.00 31.43 C ATOM 193 C ASN A 10 17.607 9.829 -5.666 1.00 43.13 C ATOM 194 O ASN A 10 18.408 9.629 -4.752 1.00 63.23 O ATOM 195 CB ASN A 10 15.306 10.614 -5.072 1.00 23.11 C ATOM 196 CG ASN A 10 14.558 11.776 -4.448 1.00 64.52 C ATOM 197 OD1 ASN A 10 14.566 12.917 -5.127 1.00 75.53 O flip ATOM 198 ND2 ASN A 10 13.980 11.648 -3.370 1.00 42.33 N flip ATOM 0 H ASN A 10 15.539 11.729 -7.260 1.00 11.21 H new ATOM 0 HA ASN A 10 17.101 11.794 -4.991 1.00 31.43 H new ATOM 0 HB2 ASN A 10 14.702 10.183 -5.870 1.00 23.11 H new ATOM 0 HB3 ASN A 10 15.450 9.834 -4.324 1.00 23.11 H new ATOM 0 HD21 ASN A 10 14.001 10.752 -2.883 1.00 42.33 H new ATOM 0 HD22 ASN A 10 13.480 12.438 -2.962 1.00 42.33 H new ATOM 204 N THR A 11 17.504 9.032 -6.725 1.00 23.14 N ATOM 205 CA THR A 11 18.344 7.850 -6.876 1.00 61.34 C ATOM 206 C THR A 11 18.337 7.005 -5.608 1.00 62.12 C ATOM 207 O THR A 11 19.366 6.459 -5.209 1.00 62.51 O ATOM 208 CB THR A 11 19.797 8.233 -7.215 1.00 45.42 C ATOM 209 OG1 THR A 11 20.444 8.773 -6.059 1.00 35.13 O ATOM 210 CG2 THR A 11 19.838 9.249 -8.347 1.00 42.32 C ATOM 0 H THR A 11 16.847 9.184 -7.491 1.00 23.14 H new ATOM 0 HA THR A 11 17.927 7.269 -7.699 1.00 61.34 H new ATOM 0 HB THR A 11 20.321 7.333 -7.536 1.00 45.42 H new ATOM 0 HG1 THR A 11 19.783 8.912 -5.349 1.00 35.13 H new ATOM 0 HG21 THR A 11 20.874 9.505 -8.569 1.00 42.32 H new ATOM 0 HG22 THR A 11 19.371 8.823 -9.235 1.00 42.32 H new ATOM 0 HG23 THR A 11 19.298 10.148 -8.049 1.00 42.32 H new ATOM 218 N ILE A 12 17.171 6.901 -4.979 1.00 22.21 N ATOM 219 CA ILE A 12 17.030 6.119 -3.756 1.00 13.21 C ATOM 220 C ILE A 12 17.682 4.749 -3.901 1.00 3.22 C ATOM 221 O ILE A 12 17.172 3.860 -4.583 1.00 62.34 O ATOM 222 CB ILE A 12 15.550 5.933 -3.375 1.00 53.03 C ATOM 223 CG1 ILE A 12 14.906 7.286 -3.064 1.00 22.25 C ATOM 224 CG2 ILE A 12 15.424 4.995 -2.184 1.00 24.53 C ATOM 225 CD1 ILE A 12 13.414 7.206 -2.831 1.00 42.42 C ATOM 0 H ILE A 12 16.311 7.348 -5.296 1.00 22.21 H new ATOM 0 HA ILE A 12 17.533 6.676 -2.966 1.00 13.21 H new ATOM 0 HB ILE A 12 15.026 5.488 -4.221 1.00 53.03 H new ATOM 0 HG12 ILE A 12 15.381 7.711 -2.180 1.00 22.25 H new ATOM 0 HG13 ILE A 12 15.100 7.970 -3.890 1.00 22.25 H new ATOM 0 HG21 ILE A 12 14.372 4.873 -1.926 1.00 24.53 H new ATOM 0 HG22 ILE A 12 15.850 4.024 -2.439 1.00 24.53 H new ATOM 0 HG23 ILE A 12 15.960 5.414 -1.332 1.00 24.53 H new ATOM 0 HD11 ILE A 12 13.025 8.201 -2.616 1.00 42.42 H new ATOM 0 HD12 ILE A 12 12.927 6.811 -3.723 1.00 42.42 H new ATOM 0 HD13 ILE A 12 13.212 6.548 -1.986 1.00 42.42 H new ATOM 236 N PRO A 13 18.839 4.571 -3.245 1.00 42.11 N ATOM 237 CA PRO A 13 19.586 3.311 -3.283 1.00 44.05 C ATOM 238 C PRO A 13 18.873 2.192 -2.531 1.00 34.41 C ATOM 239 O PRO A 13 19.249 1.024 -2.634 1.00 73.23 O ATOM 240 CB PRO A 13 20.907 3.660 -2.595 1.00 42.50 C ATOM 241 CG PRO A 13 20.580 4.809 -1.706 1.00 71.23 C ATOM 242 CD PRO A 13 19.505 5.587 -2.414 1.00 54.41 C ATOM 0 HA PRO A 13 19.705 2.939 -4.301 1.00 44.05 H new ATOM 0 HB2 PRO A 13 21.291 2.815 -2.024 1.00 42.50 H new ATOM 0 HB3 PRO A 13 21.673 3.928 -3.322 1.00 42.50 H new ATOM 0 HG2 PRO A 13 20.234 4.463 -0.732 1.00 71.23 H new ATOM 0 HG3 PRO A 13 21.459 5.429 -1.530 1.00 71.23 H new ATOM 0 HD2 PRO A 13 18.812 6.047 -1.710 1.00 54.41 H new ATOM 0 HD3 PRO A 13 19.924 6.390 -3.020 1.00 54.41 H new ATOM 247 N ASP A 14 17.843 2.556 -1.775 1.00 62.32 N ATOM 248 CA ASP A 14 17.076 1.582 -1.006 1.00 41.32 C ATOM 249 C ASP A 14 16.179 2.279 0.012 1.00 13.35 C ATOM 250 O ASP A 14 15.244 1.679 0.543 1.00 14.22 O ATOM 251 CB ASP A 14 18.016 0.609 -0.295 1.00 3.44 C ATOM 252 CG ASP A 14 19.266 1.289 0.230 1.00 65.23 C ATOM 253 OD1 ASP A 14 19.157 2.432 0.720 1.00 14.01 O ATOM 254 OD2 ASP A 14 20.351 0.678 0.150 1.00 20.13 O ATOM 0 H ASP A 14 17.520 3.519 -1.678 1.00 62.32 H new ATOM 0 HA ASP A 14 16.444 1.025 -1.698 1.00 41.32 H new ATOM 0 HB2 ASP A 14 17.487 0.138 0.534 1.00 3.44 H new ATOM 0 HB3 ASP A 14 18.301 -0.186 -0.985 1.00 3.44 H new ATOM 258 N SER A 15 16.472 3.548 0.281 1.00 62.35 N ATOM 259 CA SER A 15 15.694 4.324 1.239 1.00 14.14 C ATOM 260 C SER A 15 14.338 4.706 0.656 1.00 73.13 C ATOM 261 O SER A 15 14.022 5.887 0.514 1.00 0.31 O ATOM 262 CB SER A 15 16.461 5.585 1.646 1.00 71.24 C ATOM 263 OG SER A 15 15.800 6.264 2.700 1.00 54.14 O ATOM 0 H SER A 15 17.242 4.059 -0.151 1.00 62.35 H new ATOM 0 HA SER A 15 15.528 3.706 2.121 1.00 14.14 H new ATOM 0 HB2 SER A 15 17.470 5.316 1.958 1.00 71.24 H new ATOM 0 HB3 SER A 15 16.559 6.248 0.787 1.00 71.24 H new ATOM 0 HG SER A 15 14.926 6.580 2.388 1.00 54.14 H new ATOM 268 N GLN A 16 13.539 3.698 0.321 1.00 30.54 N ATOM 269 CA GLN A 16 12.216 3.927 -0.247 1.00 73.02 C ATOM 270 C GLN A 16 11.184 2.999 0.386 1.00 75.13 C ATOM 271 O GLN A 16 10.164 3.453 0.905 1.00 71.42 O ATOM 272 CB GLN A 16 12.245 3.719 -1.762 1.00 12.22 C ATOM 273 CG GLN A 16 13.111 2.548 -2.198 1.00 62.41 C ATOM 274 CD GLN A 16 13.375 2.541 -3.691 1.00 55.22 C ATOM 275 OE1 GLN A 16 14.118 3.378 -4.205 1.00 32.10 O ATOM 276 NE2 GLN A 16 12.767 1.595 -4.396 1.00 65.24 N ATOM 0 H GLN A 16 13.785 2.715 0.433 1.00 30.54 H new ATOM 0 HA GLN A 16 11.930 4.957 -0.034 1.00 73.02 H new ATOM 0 HB2 GLN A 16 11.227 3.560 -2.118 1.00 12.22 H new ATOM 0 HB3 GLN A 16 12.611 4.628 -2.238 1.00 12.22 H new ATOM 0 HG2 GLN A 16 14.061 2.586 -1.665 1.00 62.41 H new ATOM 0 HG3 GLN A 16 12.623 1.615 -1.915 1.00 62.41 H new ATOM 0 HE21 GLN A 16 12.160 0.922 -3.929 1.00 65.24 H new ATOM 0 HE22 GLN A 16 12.907 1.541 -5.405 1.00 65.24 H new ATOM 283 N MET A 17 11.455 1.700 0.339 1.00 22.22 N ATOM 284 CA MET A 17 10.549 0.708 0.908 1.00 13.22 C ATOM 285 C MET A 17 11.100 0.160 2.221 1.00 41.21 C ATOM 286 O MET A 17 12.265 0.376 2.555 1.00 41.24 O ATOM 287 CB MET A 17 10.324 -0.436 -0.082 1.00 75.23 C ATOM 288 CG MET A 17 8.874 -0.591 -0.510 1.00 21.33 C ATOM 289 SD MET A 17 8.704 -1.445 -2.089 1.00 1.23 S ATOM 290 CE MET A 17 8.847 -0.074 -3.232 1.00 54.31 C ATOM 0 H MET A 17 12.295 1.308 -0.087 1.00 22.22 H new ATOM 0 HA MET A 17 9.595 1.196 1.110 1.00 13.22 H new ATOM 0 HB2 MET A 17 10.939 -0.267 -0.966 1.00 75.23 H new ATOM 0 HB3 MET A 17 10.663 -1.368 0.369 1.00 75.23 H new ATOM 0 HG2 MET A 17 8.330 -1.142 0.257 1.00 21.33 H new ATOM 0 HG3 MET A 17 8.413 0.394 -0.583 1.00 21.33 H new ATOM 0 HE1 MET A 17 8.762 -0.442 -4.254 1.00 54.31 H new ATOM 0 HE2 MET A 17 8.052 0.646 -3.038 1.00 54.31 H new ATOM 0 HE3 MET A 17 9.815 0.410 -3.100 1.00 54.31 H new ATOM 298 N SER A 18 10.254 -0.550 2.962 1.00 41.21 N ATOM 299 CA SER A 18 10.655 -1.126 4.240 1.00 12.32 C ATOM 300 C SER A 18 9.504 -1.903 4.870 1.00 44.11 C ATOM 301 O SER A 18 8.496 -1.324 5.272 1.00 62.13 O ATOM 302 CB SER A 18 11.126 -0.026 5.193 1.00 34.51 C ATOM 303 OG SER A 18 10.275 1.106 5.126 1.00 63.12 O ATOM 0 H SER A 18 9.287 -0.740 2.699 1.00 41.21 H new ATOM 0 HA SER A 18 11.479 -1.816 4.058 1.00 12.32 H new ATOM 0 HB2 SER A 18 11.147 -0.409 6.213 1.00 34.51 H new ATOM 0 HB3 SER A 18 12.145 0.266 4.941 1.00 34.51 H new ATOM 0 HG SER A 18 10.731 1.830 4.648 1.00 63.12 H new ATOM 308 N ALA A 19 9.664 -3.220 4.953 1.00 13.00 N ATOM 309 CA ALA A 19 8.640 -4.078 5.536 1.00 0.34 C ATOM 310 C ALA A 19 9.146 -4.750 6.808 1.00 50.11 C ATOM 311 O ALA A 19 10.349 -4.781 7.069 1.00 51.15 O ATOM 312 CB ALA A 19 8.191 -5.125 4.526 1.00 34.42 C ATOM 0 H ALA A 19 10.493 -3.716 4.624 1.00 13.00 H new ATOM 0 HA ALA A 19 7.786 -3.455 5.801 1.00 0.34 H new ATOM 0 HB1 ALA A 19 7.426 -5.759 4.975 1.00 34.42 H new ATOM 0 HB2 ALA A 19 7.781 -4.629 3.646 1.00 34.42 H new ATOM 0 HB3 ALA A 19 9.044 -5.737 4.233 1.00 34.42 H new ATOM 318 N SER A 20 8.220 -5.286 7.598 1.00 44.42 N ATOM 319 CA SER A 20 8.572 -5.953 8.845 1.00 22.45 C ATOM 320 C SER A 20 9.651 -7.006 8.612 1.00 21.43 C ATOM 321 O SER A 20 10.590 -7.135 9.398 1.00 60.15 O ATOM 322 CB SER A 20 7.335 -6.603 9.467 1.00 51.05 C ATOM 323 OG SER A 20 7.224 -6.276 10.842 1.00 23.31 O ATOM 0 H SER A 20 7.220 -5.271 7.396 1.00 44.42 H new ATOM 0 HA SER A 20 8.963 -5.203 9.532 1.00 22.45 H new ATOM 0 HB2 SER A 20 6.441 -6.272 8.938 1.00 51.05 H new ATOM 0 HB3 SER A 20 7.392 -7.685 9.351 1.00 51.05 H new ATOM 0 HG SER A 20 6.445 -5.697 10.979 1.00 23.31 H new ATOM 328 N SER A 21 9.509 -7.760 7.526 1.00 62.24 N ATOM 329 CA SER A 21 10.468 -8.805 7.190 1.00 31.40 C ATOM 330 C SER A 21 10.126 -9.446 5.849 1.00 45.43 C ATOM 331 O SER A 21 8.956 -9.652 5.527 1.00 23.41 O ATOM 332 CB SER A 21 10.496 -9.872 8.285 1.00 21.53 C ATOM 333 OG SER A 21 9.190 -10.341 8.574 1.00 4.44 O ATOM 0 H SER A 21 8.739 -7.666 6.864 1.00 62.24 H new ATOM 0 HA SER A 21 11.454 -8.347 7.113 1.00 31.40 H new ATOM 0 HB2 SER A 21 11.123 -10.705 7.969 1.00 21.53 H new ATOM 0 HB3 SER A 21 10.946 -9.459 9.188 1.00 21.53 H new ATOM 0 HG SER A 21 8.981 -10.168 9.516 1.00 4.44 H new ATOM 338 N SER A 22 11.156 -9.759 5.069 1.00 33.24 N ATOM 339 CA SER A 22 10.965 -10.373 3.760 1.00 11.24 C ATOM 340 C SER A 22 11.388 -11.839 3.781 1.00 15.40 C ATOM 341 O SER A 22 11.972 -12.314 4.755 1.00 20.03 O ATOM 342 CB SER A 22 11.763 -9.616 2.697 1.00 72.31 C ATOM 343 OG SER A 22 12.997 -10.259 2.430 1.00 30.52 O ATOM 0 H SER A 22 12.131 -9.598 5.321 1.00 33.24 H new ATOM 0 HA SER A 22 9.905 -10.322 3.513 1.00 11.24 H new ATOM 0 HB2 SER A 22 11.179 -9.548 1.779 1.00 72.31 H new ATOM 0 HB3 SER A 22 11.947 -8.596 3.034 1.00 72.31 H new ATOM 0 HG SER A 22 13.725 -9.605 2.485 1.00 30.52 H new ATOM 348 N TYR A 23 11.088 -12.550 2.700 1.00 13.33 N ATOM 349 CA TYR A 23 11.435 -13.962 2.593 1.00 31.24 C ATOM 350 C TYR A 23 12.913 -14.185 2.898 1.00 52.21 C ATOM 351 O TYR A 23 13.294 -15.207 3.470 1.00 32.15 O ATOM 352 CB TYR A 23 11.106 -14.485 1.194 1.00 50.30 C ATOM 353 CG TYR A 23 11.592 -15.896 0.946 1.00 55.05 C ATOM 354 CD1 TYR A 23 11.154 -16.951 1.737 1.00 71.24 C ATOM 355 CD2 TYR A 23 12.487 -16.173 -0.079 1.00 72.01 C ATOM 356 CE1 TYR A 23 11.595 -18.241 1.515 1.00 41.44 C ATOM 357 CE2 TYR A 23 12.932 -17.460 -0.310 1.00 0.02 C ATOM 358 CZ TYR A 23 12.483 -18.491 0.490 1.00 52.54 C ATOM 359 OH TYR A 23 12.925 -19.774 0.264 1.00 33.03 O ATOM 0 H TYR A 23 10.605 -12.172 1.885 1.00 13.33 H new ATOM 0 HA TYR A 23 10.845 -14.511 3.327 1.00 31.24 H new ATOM 0 HB2 TYR A 23 10.027 -14.450 1.047 1.00 50.30 H new ATOM 0 HB3 TYR A 23 11.551 -13.821 0.453 1.00 50.30 H new ATOM 0 HD1 TYR A 23 10.457 -16.759 2.539 1.00 71.24 H new ATOM 0 HD2 TYR A 23 12.841 -15.368 -0.706 1.00 72.01 H new ATOM 0 HE1 TYR A 23 11.246 -19.049 2.141 1.00 41.44 H new ATOM 0 HE2 TYR A 23 13.627 -17.658 -1.112 1.00 0.02 H new ATOM 0 HH TYR A 23 13.545 -19.778 -0.495 1.00 33.03 H new ATOM 534 N TYR A 34 15.134 -8.250 2.613 1.00 22.30 N ATOM 535 CA TYR A 34 15.806 -7.688 1.448 1.00 42.34 C ATOM 536 C TYR A 34 14.796 -7.100 0.467 1.00 41.13 C ATOM 537 O TYR A 34 14.643 -7.567 -0.662 1.00 11.51 O ATOM 538 CB TYR A 34 16.645 -8.760 0.750 1.00 14.24 C ATOM 539 CG TYR A 34 17.616 -8.203 -0.268 1.00 75.53 C ATOM 540 CD1 TYR A 34 18.474 -7.161 0.061 1.00 53.21 C ATOM 541 CD2 TYR A 34 17.673 -8.718 -1.556 1.00 61.54 C ATOM 542 CE1 TYR A 34 19.361 -6.648 -0.866 1.00 13.03 C ATOM 543 CE2 TYR A 34 18.558 -8.213 -2.488 1.00 52.22 C ATOM 544 CZ TYR A 34 19.400 -7.177 -2.139 1.00 22.12 C ATOM 545 OH TYR A 34 20.282 -6.670 -3.064 1.00 4.40 O ATOM 0 HA TYR A 34 16.462 -6.888 1.790 1.00 42.34 H new ATOM 0 HB2 TYR A 34 17.201 -9.320 1.501 1.00 14.24 H new ATOM 0 HB3 TYR A 34 15.978 -9.466 0.255 1.00 14.24 H new ATOM 0 HD1 TYR A 34 18.447 -6.745 1.057 1.00 53.21 H new ATOM 0 HD2 TYR A 34 17.014 -9.527 -1.834 1.00 61.54 H new ATOM 0 HE1 TYR A 34 20.020 -5.837 -0.595 1.00 13.03 H new ATOM 0 HE2 TYR A 34 18.591 -8.627 -3.485 1.00 52.22 H new ATOM 0 HH TYR A 34 20.183 -7.154 -3.910 1.00 4.40 H new ATOM 554 N PRO A 35 14.090 -6.048 0.907 1.00 63.54 N ATOM 555 CA PRO A 35 13.083 -5.371 0.085 1.00 65.51 C ATOM 556 C PRO A 35 13.704 -4.594 -1.070 1.00 3.31 C ATOM 557 O PRO A 35 14.871 -4.793 -1.410 1.00 21.13 O ATOM 558 CB PRO A 35 12.405 -4.415 1.070 1.00 41.54 C ATOM 559 CG PRO A 35 13.431 -4.164 2.121 1.00 65.04 C ATOM 560 CD PRO A 35 14.219 -5.439 2.241 1.00 0.21 C ATOM 0 HA PRO A 35 12.398 -6.077 -0.384 1.00 65.51 H new ATOM 0 HB2 PRO A 35 12.105 -3.489 0.580 1.00 41.54 H new ATOM 0 HB3 PRO A 35 11.504 -4.857 1.494 1.00 41.54 H new ATOM 0 HG2 PRO A 35 14.077 -3.330 1.845 1.00 65.04 H new ATOM 0 HG3 PRO A 35 12.962 -3.904 3.070 1.00 65.04 H new ATOM 0 HD2 PRO A 35 15.261 -5.245 2.495 1.00 0.21 H new ATOM 0 HD3 PRO A 35 13.817 -6.088 3.019 1.00 0.21 H new ATOM 565 N HIS A 36 12.918 -3.707 -1.672 1.00 40.04 N ATOM 566 CA HIS A 36 13.392 -2.899 -2.790 1.00 4.04 C ATOM 567 C HIS A 36 13.636 -3.765 -4.023 1.00 32.33 C ATOM 568 O HIS A 36 14.756 -3.840 -4.530 1.00 13.30 O ATOM 569 CB HIS A 36 14.677 -2.165 -2.406 1.00 43.45 C ATOM 570 CG HIS A 36 14.704 -1.711 -0.979 1.00 53.35 C ATOM 571 ND1 HIS A 36 15.783 -1.914 -0.145 1.00 71.10 N ATOM 572 CD2 HIS A 36 13.776 -1.058 -0.240 1.00 30.35 C ATOM 573 CE1 HIS A 36 15.517 -1.408 1.046 1.00 10.20 C ATOM 574 NE2 HIS A 36 14.306 -0.882 1.015 1.00 63.02 N ATOM 0 H HIS A 36 11.950 -3.530 -1.404 1.00 40.04 H new ATOM 0 HA HIS A 36 12.621 -2.167 -3.030 1.00 4.04 H new ATOM 0 HB2 HIS A 36 15.528 -2.822 -2.586 1.00 43.45 H new ATOM 0 HB3 HIS A 36 14.799 -1.299 -3.057 1.00 43.45 H new ATOM 0 HD2 HIS A 36 12.801 -0.736 -0.575 1.00 30.35 H new ATOM 0 HE1 HIS A 36 16.178 -1.422 1.900 1.00 10.20 H new ATOM 0 HE2 HIS A 36 13.840 -0.420 1.796 1.00 63.02 H new ATOM 581 N LEU A 37 12.582 -4.420 -4.498 1.00 33.33 N ATOM 582 CA LEU A 37 12.682 -5.281 -5.670 1.00 25.34 C ATOM 583 C LEU A 37 11.851 -4.730 -6.823 1.00 42.31 C ATOM 584 O LEU A 37 12.108 -5.033 -7.988 1.00 14.52 O ATOM 585 CB LEU A 37 12.220 -6.699 -5.326 1.00 22.31 C ATOM 586 CG LEU A 37 13.132 -7.494 -4.391 1.00 33.33 C ATOM 587 CD1 LEU A 37 14.570 -7.451 -4.884 1.00 24.53 C ATOM 588 CD2 LEU A 37 13.038 -6.956 -2.970 1.00 31.14 C ATOM 0 H LEU A 37 11.649 -4.371 -4.089 1.00 33.33 H new ATOM 0 HA LEU A 37 13.726 -5.310 -5.981 1.00 25.34 H new ATOM 0 HB2 LEU A 37 11.232 -6.637 -4.871 1.00 22.31 H new ATOM 0 HB3 LEU A 37 12.109 -7.259 -6.255 1.00 22.31 H new ATOM 0 HG LEU A 37 12.801 -8.533 -4.388 1.00 33.33 H new ATOM 0 HD11 LEU A 37 15.204 -8.022 -4.206 1.00 24.53 H new ATOM 0 HD12 LEU A 37 14.625 -7.883 -5.883 1.00 24.53 H new ATOM 0 HD13 LEU A 37 14.913 -6.417 -4.917 1.00 24.53 H new ATOM 0 HD21 LEU A 37 13.694 -7.534 -2.318 1.00 31.14 H new ATOM 0 HD22 LEU A 37 13.343 -5.910 -2.956 1.00 31.14 H new ATOM 0 HD23 LEU A 37 12.010 -7.039 -2.617 1.00 31.14 H new ATOM 599 N GLY A 38 10.853 -3.917 -6.492 1.00 63.34 N ATOM 600 CA GLY A 38 10.000 -3.335 -7.511 1.00 54.44 C ATOM 601 C GLY A 38 10.479 -1.966 -7.955 1.00 2.42 C ATOM 602 O GLY A 38 9.681 -1.124 -8.364 1.00 43.04 O ATOM 0 H GLY A 38 10.620 -3.651 -5.535 1.00 63.34 H new ATOM 0 HA2 GLY A 38 9.963 -4.001 -8.373 1.00 54.44 H new ATOM 0 HA3 GLY A 38 8.983 -3.254 -7.127 1.00 54.44 H new ATOM 606 N ARG A 39 11.787 -1.743 -7.872 1.00 24.04 N ATOM 607 CA ARG A 39 12.372 -0.467 -8.266 1.00 62.45 C ATOM 608 C ARG A 39 11.827 -0.014 -9.617 1.00 73.23 C ATOM 609 O ARG A 39 10.976 0.875 -9.690 1.00 31.24 O ATOM 610 CB ARG A 39 13.896 -0.577 -8.330 1.00 72.21 C ATOM 611 CG ARG A 39 14.392 -1.973 -8.671 1.00 54.34 C ATOM 612 CD ARG A 39 15.647 -1.923 -9.528 1.00 12.23 C ATOM 613 NE ARG A 39 16.808 -1.463 -8.771 1.00 15.43 N ATOM 614 CZ ARG A 39 18.048 -1.475 -9.248 1.00 11.14 C ATOM 615 NH1 ARG A 39 18.286 -1.922 -10.473 1.00 14.32 N ATOM 616 NH2 ARG A 39 19.053 -1.040 -8.498 1.00 54.12 N ATOM 0 H ARG A 39 12.462 -2.430 -7.535 1.00 24.04 H new ATOM 0 HA ARG A 39 12.100 0.275 -7.516 1.00 62.45 H new ATOM 0 HB2 ARG A 39 14.272 0.125 -9.075 1.00 72.21 H new ATOM 0 HB3 ARG A 39 14.314 -0.277 -7.369 1.00 72.21 H new ATOM 0 HG2 ARG A 39 14.599 -2.522 -7.752 1.00 54.34 H new ATOM 0 HG3 ARG A 39 13.611 -2.519 -9.199 1.00 54.34 H new ATOM 0 HD2 ARG A 39 15.848 -2.914 -9.934 1.00 12.23 H new ATOM 0 HD3 ARG A 39 15.481 -1.259 -10.376 1.00 12.23 H new ATOM 0 HE ARG A 39 16.659 -1.113 -7.824 1.00 15.43 H new ATOM 0 HH11 ARG A 39 17.516 -2.258 -11.052 1.00 14.32 H new ATOM 0 HH12 ARG A 39 19.239 -1.930 -10.837 1.00 14.32 H new ATOM 0 HH21 ARG A 39 18.874 -0.696 -7.555 1.00 54.12 H new ATOM 0 HH22 ARG A 39 20.005 -1.050 -8.865 1.00 54.12 H new ATOM 627 N LEU A 40 12.321 -0.628 -10.685 1.00 1.53 N ATOM 628 CA LEU A 40 11.886 -0.289 -12.035 1.00 53.53 C ATOM 629 C LEU A 40 12.600 -1.149 -13.072 1.00 11.15 C ATOM 630 O LEU A 40 11.963 -1.793 -13.905 1.00 62.13 O ATOM 631 CB LEU A 40 12.145 1.192 -12.318 1.00 11.32 C ATOM 632 CG LEU A 40 11.972 1.639 -13.770 1.00 2.24 C ATOM 633 CD1 LEU A 40 10.800 2.600 -13.897 1.00 15.11 C ATOM 634 CD2 LEU A 40 13.250 2.283 -14.287 1.00 25.03 C ATOM 0 H LEU A 40 13.025 -1.365 -10.642 1.00 1.53 H new ATOM 0 HA LEU A 40 10.816 -0.485 -12.104 1.00 53.53 H new ATOM 0 HB2 LEU A 40 11.474 1.783 -11.695 1.00 11.32 H new ATOM 0 HB3 LEU A 40 13.162 1.429 -12.005 1.00 11.32 H new ATOM 0 HG LEU A 40 11.761 0.759 -14.377 1.00 2.24 H new ATOM 0 HD11 LEU A 40 10.692 2.907 -14.937 1.00 15.11 H new ATOM 0 HD12 LEU A 40 9.886 2.105 -13.569 1.00 15.11 H new ATOM 0 HD13 LEU A 40 10.980 3.478 -13.276 1.00 15.11 H new ATOM 0 HD21 LEU A 40 13.108 2.595 -15.322 1.00 25.03 H new ATOM 0 HD22 LEU A 40 13.492 3.153 -13.676 1.00 25.03 H new ATOM 0 HD23 LEU A 40 14.067 1.564 -14.234 1.00 25.03 H new ATOM 645 N ASP A 41 13.928 -1.157 -13.013 1.00 30.30 N ATOM 646 CA ASP A 41 14.729 -1.942 -13.944 1.00 14.23 C ATOM 647 C ASP A 41 15.055 -3.312 -13.360 1.00 1.05 C ATOM 648 O ASP A 41 15.995 -3.977 -13.796 1.00 75.04 O ATOM 649 CB ASP A 41 16.022 -1.199 -14.288 1.00 3.15 C ATOM 650 CG ASP A 41 16.669 -1.720 -15.556 1.00 24.44 C ATOM 651 OD1 ASP A 41 15.977 -2.409 -16.335 1.00 75.14 O ATOM 652 OD2 ASP A 41 17.868 -1.441 -15.770 1.00 35.10 O ATOM 0 H ASP A 41 14.471 -0.629 -12.330 1.00 30.30 H new ATOM 0 HA ASP A 41 14.147 -2.085 -14.855 1.00 14.23 H new ATOM 0 HB2 ASP A 41 15.807 -0.137 -14.403 1.00 3.15 H new ATOM 0 HB3 ASP A 41 16.724 -1.295 -13.460 1.00 3.15 H new ATOM 656 N ASN A 42 14.273 -3.728 -12.369 1.00 33.24 N ATOM 657 CA ASN A 42 14.480 -5.020 -11.723 1.00 10.42 C ATOM 658 C ASN A 42 14.586 -6.135 -12.758 1.00 40.30 C ATOM 659 O ASN A 42 13.709 -6.291 -13.608 1.00 22.33 O ATOM 660 CB ASN A 42 13.335 -5.316 -10.752 1.00 4.44 C ATOM 661 CG ASN A 42 11.996 -4.828 -11.269 1.00 0.32 C ATOM 662 OD1 ASN A 42 11.479 -5.338 -12.264 1.00 74.11 O ATOM 663 ND2 ASN A 42 11.429 -3.833 -10.596 1.00 3.25 N ATOM 0 H ASN A 42 13.491 -3.190 -11.996 1.00 33.24 H new ATOM 0 HA ASN A 42 15.417 -4.975 -11.167 1.00 10.42 H new ATOM 0 HB2 ASN A 42 13.283 -6.390 -10.573 1.00 4.44 H new ATOM 0 HB3 ASN A 42 13.545 -4.843 -9.793 1.00 4.44 H new ATOM 0 HD21 ASN A 42 10.529 -3.461 -10.898 1.00 3.25 H new ATOM 0 HD22 ASN A 42 11.894 -3.441 -9.777 1.00 3.25 H new ATOM 669 N GLN A 43 15.665 -6.907 -12.681 1.00 71.01 N ATOM 670 CA GLN A 43 15.885 -8.008 -13.611 1.00 72.32 C ATOM 671 C GLN A 43 15.736 -9.353 -12.908 1.00 64.21 C ATOM 672 O GLN A 43 15.388 -9.414 -11.730 1.00 65.44 O ATOM 673 CB GLN A 43 17.273 -7.900 -14.243 1.00 54.40 C ATOM 674 CG GLN A 43 18.390 -7.710 -13.229 1.00 64.30 C ATOM 675 CD GLN A 43 19.116 -6.391 -13.401 1.00 13.33 C ATOM 676 OE1 GLN A 43 20.337 -6.356 -13.557 1.00 3.00 O ATOM 677 NE2 GLN A 43 18.367 -5.294 -13.373 1.00 73.33 N ATOM 0 H GLN A 43 16.401 -6.790 -11.984 1.00 71.01 H new ATOM 0 HA GLN A 43 15.131 -7.944 -14.395 1.00 72.32 H new ATOM 0 HB2 GLN A 43 17.470 -8.801 -14.823 1.00 54.40 H new ATOM 0 HB3 GLN A 43 17.281 -7.063 -14.941 1.00 54.40 H new ATOM 0 HG2 GLN A 43 17.975 -7.763 -12.223 1.00 64.30 H new ATOM 0 HG3 GLN A 43 19.104 -8.528 -13.323 1.00 64.30 H new ATOM 0 HE21 GLN A 43 17.358 -5.368 -13.241 1.00 73.33 H new ATOM 0 HE22 GLN A 43 18.801 -4.377 -13.483 1.00 73.33 H new ATOM 684 N GLY A 44 16.003 -10.431 -13.639 1.00 42.30 N ATOM 685 CA GLY A 44 15.893 -11.761 -13.070 1.00 34.05 C ATOM 686 C GLY A 44 14.505 -12.347 -13.228 1.00 42.25 C ATOM 687 O GLY A 44 14.214 -13.014 -14.222 1.00 20.45 O ATOM 0 H GLY A 44 16.294 -10.406 -14.616 1.00 42.30 H new ATOM 0 HA2 GLY A 44 16.618 -12.419 -13.549 1.00 34.05 H new ATOM 0 HA3 GLY A 44 16.149 -11.722 -12.011 1.00 34.05 H new ATOM 691 N LYS A 45 13.643 -12.098 -12.248 1.00 25.12 N ATOM 692 CA LYS A 45 12.276 -12.607 -12.282 1.00 13.15 C ATOM 693 C LYS A 45 11.497 -12.152 -11.052 1.00 24.03 C ATOM 694 O LYS A 45 10.279 -11.978 -11.108 1.00 43.00 O ATOM 695 CB LYS A 45 12.281 -14.135 -12.362 1.00 35.21 C ATOM 696 CG LYS A 45 12.920 -14.805 -11.157 1.00 25.00 C ATOM 697 CD LYS A 45 14.432 -14.663 -11.178 1.00 12.24 C ATOM 698 CE LYS A 45 15.113 -15.853 -10.519 1.00 74.02 C ATOM 699 NZ LYS A 45 16.181 -16.430 -11.381 1.00 10.44 N ATOM 0 H LYS A 45 13.867 -11.546 -11.420 1.00 25.12 H new ATOM 0 HA LYS A 45 11.786 -12.206 -13.169 1.00 13.15 H new ATOM 0 HB2 LYS A 45 11.255 -14.489 -12.462 1.00 35.21 H new ATOM 0 HB3 LYS A 45 12.813 -14.442 -13.262 1.00 35.21 H new ATOM 0 HG2 LYS A 45 12.525 -14.364 -10.242 1.00 25.00 H new ATOM 0 HG3 LYS A 45 12.653 -15.862 -11.143 1.00 25.00 H new ATOM 0 HD2 LYS A 45 14.776 -14.571 -12.208 1.00 12.24 H new ATOM 0 HD3 LYS A 45 14.720 -13.747 -10.663 1.00 12.24 H new ATOM 0 HE2 LYS A 45 15.543 -15.543 -9.567 1.00 74.02 H new ATOM 0 HE3 LYS A 45 14.370 -16.620 -10.299 1.00 74.02 H new ATOM 0 HZ1 LYS A 45 16.620 -17.238 -10.896 1.00 10.44 H new ATOM 0 HZ2 LYS A 45 15.767 -16.749 -12.280 1.00 10.44 H new ATOM 0 HZ3 LYS A 45 16.903 -15.706 -11.570 1.00 10.44 H new ATOM 709 N ILE A 46 12.206 -11.964 -9.944 1.00 51.35 N ATOM 710 CA ILE A 46 11.580 -11.528 -8.703 1.00 74.34 C ATOM 711 C ILE A 46 10.846 -10.204 -8.892 1.00 64.21 C ATOM 712 O ILE A 46 9.617 -10.156 -8.875 1.00 63.25 O ATOM 713 CB ILE A 46 12.615 -11.370 -7.575 1.00 15.33 C ATOM 714 CG1 ILE A 46 13.425 -12.658 -7.412 1.00 53.52 C ATOM 715 CG2 ILE A 46 11.925 -11.004 -6.269 1.00 13.03 C ATOM 716 CD1 ILE A 46 14.807 -12.584 -8.022 1.00 43.21 C ATOM 0 H ILE A 46 13.214 -12.107 -9.881 1.00 51.35 H new ATOM 0 HA ILE A 46 10.864 -12.301 -8.423 1.00 74.34 H new ATOM 0 HB ILE A 46 13.299 -10.564 -7.841 1.00 15.33 H new ATOM 0 HG12 ILE A 46 13.517 -12.888 -6.350 1.00 53.52 H new ATOM 0 HG13 ILE A 46 12.878 -13.482 -7.870 1.00 53.52 H new ATOM 0 HG21 ILE A 46 12.671 -10.896 -5.481 1.00 13.03 H new ATOM 0 HG22 ILE A 46 11.388 -10.063 -6.392 1.00 13.03 H new ATOM 0 HG23 ILE A 46 11.221 -11.790 -5.997 1.00 13.03 H new ATOM 0 HD11 ILE A 46 15.324 -13.531 -7.869 1.00 43.21 H new ATOM 0 HD12 ILE A 46 14.723 -12.385 -9.090 1.00 43.21 H new ATOM 0 HD13 ILE A 46 15.372 -11.782 -7.547 1.00 43.21 H new ATOM 727 N ASN A 47 11.609 -9.131 -9.075 1.00 62.50 N ATOM 728 CA ASN A 47 11.031 -7.806 -9.269 1.00 42.23 C ATOM 729 C ASN A 47 9.832 -7.595 -8.349 1.00 22.23 C ATOM 730 O ASN A 47 8.820 -7.024 -8.753 1.00 60.40 O ATOM 731 CB ASN A 47 10.607 -7.621 -10.727 1.00 40.15 C ATOM 732 CG ASN A 47 9.593 -8.657 -11.172 1.00 35.52 C ATOM 733 OD1 ASN A 47 9.979 -9.490 -12.131 1.00 3.44 O flip ATOM 734 ND2 ASN A 47 8.475 -8.708 -10.657 1.00 62.41 N flip ATOM 0 H ASN A 47 12.629 -9.153 -9.093 1.00 62.50 H new ATOM 0 HA ASN A 47 11.791 -7.065 -9.021 1.00 42.23 H new ATOM 0 HB2 ASN A 47 10.184 -6.625 -10.856 1.00 40.15 H new ATOM 0 HB3 ASN A 47 11.487 -7.679 -11.368 1.00 40.15 H new ATOM 0 HD21 ASN A 47 8.221 -8.047 -9.923 1.00 62.41 H new ATOM 0 HD22 ASN A 47 7.803 -9.411 -10.965 1.00 62.41 H new ATOM 740 N ALA A 48 9.955 -8.060 -7.110 1.00 33.32 N ATOM 741 CA ALA A 48 8.884 -7.919 -6.131 1.00 11.25 C ATOM 742 C ALA A 48 9.329 -8.406 -4.756 1.00 4.11 C ATOM 743 O ALA A 48 10.022 -9.417 -4.640 1.00 40.21 O ATOM 744 CB ALA A 48 7.649 -8.681 -6.589 1.00 32.24 C ATOM 0 H ALA A 48 10.786 -8.538 -6.760 1.00 33.32 H new ATOM 0 HA ALA A 48 8.636 -6.861 -6.049 1.00 11.25 H new ATOM 0 HB1 ALA A 48 6.856 -8.568 -5.849 1.00 32.24 H new ATOM 0 HB2 ALA A 48 7.311 -8.284 -7.546 1.00 32.24 H new ATOM 0 HB3 ALA A 48 7.894 -9.737 -6.700 1.00 32.24 H new ATOM 750 N TRP A 49 8.928 -7.681 -3.719 1.00 63.23 N ATOM 751 CA TRP A 49 9.287 -8.039 -2.351 1.00 64.20 C ATOM 752 C TRP A 49 8.351 -9.114 -1.808 1.00 74.21 C ATOM 753 O TRP A 49 7.132 -9.018 -1.947 1.00 63.51 O ATOM 754 CB TRP A 49 9.243 -6.804 -1.451 1.00 32.43 C ATOM 755 CG TRP A 49 9.067 -7.134 0.001 1.00 11.10 C ATOM 756 CD1 TRP A 49 10.056 -7.325 0.924 1.00 51.13 C ATOM 757 CD2 TRP A 49 7.828 -7.313 0.694 1.00 73.24 C ATOM 758 NE1 TRP A 49 9.505 -7.611 2.150 1.00 61.10 N ATOM 759 CE2 TRP A 49 8.139 -7.609 2.036 1.00 2.34 C ATOM 760 CE3 TRP A 49 6.485 -7.250 0.314 1.00 32.52 C ATOM 761 CZ2 TRP A 49 7.158 -7.843 2.995 1.00 43.54 C ATOM 762 CZ3 TRP A 49 5.511 -7.482 1.267 1.00 40.22 C ATOM 763 CH2 TRP A 49 5.850 -7.775 2.594 1.00 55.40 C ATOM 0 H TRP A 49 8.354 -6.842 -3.798 1.00 63.23 H new ATOM 0 HA TRP A 49 10.302 -8.437 -2.359 1.00 64.20 H new ATOM 0 HB2 TRP A 49 10.165 -6.237 -1.578 1.00 32.43 H new ATOM 0 HB3 TRP A 49 8.425 -6.158 -1.771 1.00 32.43 H new ATOM 0 HD1 TRP A 49 11.115 -7.261 0.720 1.00 51.13 H new ATOM 0 HE1 TRP A 49 10.028 -7.795 3.006 1.00 61.10 H new ATOM 0 HE3 TRP A 49 6.213 -7.024 -0.706 1.00 32.52 H new ATOM 0 HZ2 TRP A 49 7.419 -8.070 4.018 1.00 43.54 H new ATOM 0 HZ3 TRP A 49 4.470 -7.437 0.983 1.00 40.22 H new ATOM 0 HH2 TRP A 49 5.065 -7.951 3.315 1.00 55.40 H new ATOM 773 N THR A 50 8.930 -10.137 -1.185 1.00 42.14 N ATOM 774 CA THR A 50 8.147 -11.230 -0.621 1.00 1.45 C ATOM 775 C THR A 50 8.092 -11.138 0.900 1.00 42.33 C ATOM 776 O THR A 50 8.844 -10.381 1.513 1.00 1.20 O ATOM 777 CB THR A 50 8.727 -12.600 -1.020 1.00 44.20 C ATOM 778 OG1 THR A 50 9.429 -12.491 -2.264 1.00 64.33 O ATOM 779 CG2 THR A 50 7.623 -13.639 -1.144 1.00 63.45 C ATOM 0 H THR A 50 9.938 -10.231 -1.059 1.00 42.14 H new ATOM 0 HA THR A 50 7.139 -11.139 -1.025 1.00 1.45 H new ATOM 0 HB THR A 50 9.418 -12.919 -0.240 1.00 44.20 H new ATOM 0 HG1 THR A 50 9.366 -13.339 -2.751 1.00 64.33 H new ATOM 0 HG21 THR A 50 8.056 -14.598 -1.427 1.00 63.45 H new ATOM 0 HG22 THR A 50 7.110 -13.740 -0.188 1.00 63.45 H new ATOM 0 HG23 THR A 50 6.911 -13.324 -1.907 1.00 63.45 H new ATOM 787 N ALA A 51 7.198 -11.914 1.502 1.00 73.24 N ATOM 788 CA ALA A 51 7.046 -11.922 2.951 1.00 74.41 C ATOM 789 C ALA A 51 8.061 -12.853 3.604 1.00 52.20 C ATOM 790 O ALA A 51 8.581 -13.765 2.963 1.00 24.12 O ATOM 791 CB ALA A 51 5.631 -12.330 3.332 1.00 31.43 C ATOM 0 H ALA A 51 6.567 -12.546 1.008 1.00 73.24 H new ATOM 0 HA ALA A 51 7.231 -10.912 3.316 1.00 74.41 H new ATOM 0 HB1 ALA A 51 5.533 -12.331 4.418 1.00 31.43 H new ATOM 0 HB2 ALA A 51 4.921 -11.623 2.904 1.00 31.43 H new ATOM 0 HB3 ALA A 51 5.424 -13.329 2.948 1.00 31.43 H new ATOM 797 N GLN A 52 8.340 -12.615 4.882 1.00 71.54 N ATOM 798 CA GLN A 52 9.295 -13.433 5.621 1.00 61.34 C ATOM 799 C GLN A 52 8.655 -14.742 6.072 1.00 11.13 C ATOM 800 O GLN A 52 9.282 -15.800 6.020 1.00 65.32 O ATOM 801 CB GLN A 52 9.826 -12.666 6.833 1.00 44.24 C ATOM 802 CG GLN A 52 10.688 -13.510 7.758 1.00 63.24 C ATOM 803 CD GLN A 52 9.961 -13.913 9.025 1.00 31.43 C ATOM 804 OE1 GLN A 52 9.785 -15.100 9.303 1.00 31.22 O ATOM 805 NE2 GLN A 52 9.536 -12.925 9.804 1.00 44.12 N ATOM 0 H GLN A 52 7.918 -11.863 5.427 1.00 71.54 H new ATOM 0 HA GLN A 52 10.127 -13.666 4.956 1.00 61.34 H new ATOM 0 HB2 GLN A 52 10.408 -11.813 6.486 1.00 44.24 H new ATOM 0 HB3 GLN A 52 8.983 -12.268 7.398 1.00 44.24 H new ATOM 0 HG2 GLN A 52 11.013 -14.406 7.229 1.00 63.24 H new ATOM 0 HG3 GLN A 52 11.587 -12.952 8.021 1.00 63.24 H new ATOM 0 HE21 GLN A 52 9.703 -11.955 9.535 1.00 44.12 H new ATOM 0 HE22 GLN A 52 9.042 -13.136 10.671 1.00 44.12 H new ATOM 812 N SER A 53 7.405 -14.662 6.517 1.00 45.43 N ATOM 813 CA SER A 53 6.683 -15.840 6.982 1.00 65.34 C ATOM 814 C SER A 53 5.414 -16.058 6.163 1.00 10.11 C ATOM 815 O SER A 53 4.722 -17.062 6.325 1.00 12.51 O ATOM 816 CB SER A 53 6.328 -15.695 8.463 1.00 20.34 C ATOM 817 OG SER A 53 6.239 -14.331 8.835 1.00 12.14 O ATOM 0 H SER A 53 6.872 -13.794 6.565 1.00 45.43 H new ATOM 0 HA SER A 53 7.331 -16.707 6.854 1.00 65.34 H new ATOM 0 HB2 SER A 53 5.379 -16.192 8.663 1.00 20.34 H new ATOM 0 HB3 SER A 53 7.083 -16.193 9.072 1.00 20.34 H new ATOM 0 HG SER A 53 6.009 -14.265 9.785 1.00 12.14 H new ATOM 822 N ASN A 54 5.116 -15.109 5.282 1.00 2.40 N ATOM 823 CA ASN A 54 3.930 -15.195 4.437 1.00 23.02 C ATOM 824 C ASN A 54 2.741 -15.738 5.223 1.00 52.34 C ATOM 825 O ASN A 54 2.206 -16.800 4.905 1.00 62.44 O ATOM 826 CB ASN A 54 4.206 -16.089 3.226 1.00 51.23 C ATOM 827 CG ASN A 54 4.726 -17.457 3.623 1.00 0.21 C ATOM 828 OD1 ASN A 54 6.044 -17.582 3.723 1.00 23.44 O flip ATOM 829 ND2 ASN A 54 3.951 -18.388 3.837 1.00 51.13 N flip ATOM 0 H ASN A 54 5.679 -14.271 5.134 1.00 2.40 H new ATOM 0 HA ASN A 54 3.686 -14.190 4.091 1.00 23.02 H new ATOM 0 HB2 ASN A 54 3.289 -16.206 2.648 1.00 51.23 H new ATOM 0 HB3 ASN A 54 4.933 -15.602 2.576 1.00 51.23 H new ATOM 0 HD21 ASN A 54 2.945 -18.245 3.748 1.00 51.13 H new ATOM 0 HD22 ASN A 54 4.314 -19.303 4.104 1.00 51.13 H new ATOM 835 N SER A 55 2.331 -15.000 6.250 1.00 4.24 N ATOM 836 CA SER A 55 1.207 -15.408 7.083 1.00 62.34 C ATOM 837 C SER A 55 0.211 -14.264 7.251 1.00 23.43 C ATOM 838 O SER A 55 -0.559 -14.232 8.210 1.00 21.12 O ATOM 839 CB SER A 55 1.702 -15.872 8.454 1.00 14.34 C ATOM 840 OG SER A 55 1.396 -17.239 8.672 1.00 53.12 O ATOM 0 H SER A 55 2.761 -14.117 6.525 1.00 4.24 H new ATOM 0 HA SER A 55 0.702 -16.237 6.587 1.00 62.34 H new ATOM 0 HB2 SER A 55 2.779 -15.722 8.525 1.00 14.34 H new ATOM 0 HB3 SER A 55 1.243 -15.265 9.234 1.00 14.34 H new ATOM 0 HG SER A 55 1.724 -17.511 9.554 1.00 53.12 H new ATOM 845 N ALA A 56 0.234 -13.326 6.310 1.00 40.21 N ATOM 846 CA ALA A 56 -0.666 -12.180 6.351 1.00 63.44 C ATOM 847 C ALA A 56 -0.196 -11.148 7.369 1.00 61.53 C ATOM 848 O ALA A 56 -0.131 -9.955 7.075 1.00 51.14 O ATOM 849 CB ALA A 56 -2.083 -12.635 6.672 1.00 74.24 C ATOM 0 H ALA A 56 0.866 -13.337 5.510 1.00 40.21 H new ATOM 0 HA ALA A 56 -0.660 -11.709 5.368 1.00 63.44 H new ATOM 0 HB1 ALA A 56 -2.745 -11.770 6.700 1.00 74.24 H new ATOM 0 HB2 ALA A 56 -2.425 -13.329 5.904 1.00 74.24 H new ATOM 0 HB3 ALA A 56 -2.095 -13.132 7.642 1.00 74.24 H new ATOM 855 N LYS A 57 0.130 -11.615 8.570 1.00 13.22 N ATOM 856 CA LYS A 57 0.596 -10.732 9.633 1.00 31.31 C ATOM 857 C LYS A 57 1.623 -9.736 9.104 1.00 44.14 C ATOM 858 O LYS A 57 1.605 -8.561 9.468 1.00 61.12 O ATOM 859 CB LYS A 57 1.205 -11.551 10.774 1.00 4.41 C ATOM 860 CG LYS A 57 2.360 -12.436 10.337 1.00 52.31 C ATOM 861 CD LYS A 57 2.381 -13.745 11.106 1.00 21.34 C ATOM 862 CE LYS A 57 3.075 -13.591 12.451 1.00 54.32 C ATOM 863 NZ LYS A 57 2.103 -13.346 13.552 1.00 32.33 N ATOM 0 H LYS A 57 0.080 -12.600 8.831 1.00 13.22 H new ATOM 0 HA LYS A 57 -0.262 -10.175 10.010 1.00 31.31 H new ATOM 0 HB2 LYS A 57 1.553 -10.872 11.552 1.00 4.41 H new ATOM 0 HB3 LYS A 57 0.428 -12.174 11.218 1.00 4.41 H new ATOM 0 HG2 LYS A 57 2.279 -12.641 9.270 1.00 52.31 H new ATOM 0 HG3 LYS A 57 3.302 -11.908 10.489 1.00 52.31 H new ATOM 0 HD2 LYS A 57 1.360 -14.094 11.260 1.00 21.34 H new ATOM 0 HD3 LYS A 57 2.892 -14.506 10.517 1.00 21.34 H new ATOM 0 HE2 LYS A 57 3.650 -14.491 12.668 1.00 54.32 H new ATOM 0 HE3 LYS A 57 3.784 -12.764 12.401 1.00 54.32 H new ATOM 0 HZ1 LYS A 57 2.615 -13.247 14.452 1.00 32.33 H new ATOM 0 HZ2 LYS A 57 1.571 -12.473 13.358 1.00 32.33 H new ATOM 0 HZ3 LYS A 57 1.442 -14.147 13.616 1.00 32.33 H new ATOM 873 N GLU A 58 2.514 -10.214 8.241 1.00 54.22 N ATOM 874 CA GLU A 58 3.547 -9.363 7.662 1.00 45.23 C ATOM 875 C GLU A 58 2.939 -8.090 7.080 1.00 11.40 C ATOM 876 O GLU A 58 1.799 -8.089 6.617 1.00 14.02 O ATOM 877 CB GLU A 58 4.310 -10.120 6.573 1.00 20.25 C ATOM 878 CG GLU A 58 3.574 -10.187 5.246 1.00 55.52 C ATOM 879 CD GLU A 58 2.460 -11.214 5.247 1.00 25.13 C ATOM 880 OE1 GLU A 58 2.689 -12.338 5.741 1.00 25.33 O ATOM 881 OE2 GLU A 58 1.358 -10.895 4.753 1.00 23.04 O ATOM 0 H GLU A 58 2.541 -11.184 7.928 1.00 54.22 H new ATOM 0 HA GLU A 58 4.240 -9.085 8.456 1.00 45.23 H new ATOM 0 HB2 GLU A 58 5.276 -9.640 6.419 1.00 20.25 H new ATOM 0 HB3 GLU A 58 4.509 -11.134 6.919 1.00 20.25 H new ATOM 0 HG2 GLU A 58 3.158 -9.206 5.016 1.00 55.52 H new ATOM 0 HG3 GLU A 58 4.283 -10.427 4.454 1.00 55.52 H new ATOM 886 N TRP A 59 3.711 -7.009 7.107 1.00 70.23 N ATOM 887 CA TRP A 59 3.249 -5.728 6.583 1.00 52.32 C ATOM 888 C TRP A 59 4.378 -4.994 5.867 1.00 4.02 C ATOM 889 O TRP A 59 5.534 -5.051 6.288 1.00 50.14 O ATOM 890 CB TRP A 59 2.697 -4.860 7.715 1.00 61.10 C ATOM 891 CG TRP A 59 3.610 -4.778 8.901 1.00 2.32 C ATOM 892 CD1 TRP A 59 4.827 -4.160 8.956 1.00 24.45 C ATOM 893 CD2 TRP A 59 3.381 -5.335 10.199 1.00 2.21 C ATOM 894 NE1 TRP A 59 5.368 -4.299 10.212 1.00 63.40 N ATOM 895 CE2 TRP A 59 4.500 -5.015 10.994 1.00 42.43 C ATOM 896 CE3 TRP A 59 2.338 -6.070 10.769 1.00 52.13 C ATOM 897 CZ2 TRP A 59 4.603 -5.407 12.325 1.00 65.30 C ATOM 898 CZ3 TRP A 59 2.442 -6.459 12.092 1.00 44.52 C ATOM 899 CH2 TRP A 59 3.567 -6.127 12.858 1.00 13.52 C ATOM 0 H TRP A 59 4.658 -6.994 7.485 1.00 70.23 H new ATOM 0 HA TRP A 59 2.454 -5.923 5.864 1.00 52.32 H new ATOM 0 HB2 TRP A 59 2.514 -3.854 7.336 1.00 61.10 H new ATOM 0 HB3 TRP A 59 1.734 -5.260 8.034 1.00 61.10 H new ATOM 0 HD1 TRP A 59 5.295 -3.639 8.134 1.00 24.45 H new ATOM 0 HE1 TRP A 59 6.270 -3.929 10.513 1.00 63.40 H new ATOM 0 HE3 TRP A 59 1.466 -6.330 10.187 1.00 52.13 H new ATOM 0 HZ2 TRP A 59 5.470 -5.152 12.917 1.00 65.30 H new ATOM 0 HZ3 TRP A 59 1.642 -7.028 12.542 1.00 44.52 H new ATOM 0 HH2 TRP A 59 3.618 -6.445 13.889 1.00 13.52 H new ATOM 909 N LEU A 60 4.036 -4.307 4.784 1.00 43.44 N ATOM 910 CA LEU A 60 5.022 -3.561 4.008 1.00 50.43 C ATOM 911 C LEU A 60 4.740 -2.063 4.066 1.00 51.04 C ATOM 912 O LEU A 60 3.636 -1.617 3.752 1.00 1.14 O ATOM 913 CB LEU A 60 5.021 -4.036 2.554 1.00 51.32 C ATOM 914 CG LEU A 60 5.986 -3.314 1.612 1.00 64.52 C ATOM 915 CD1 LEU A 60 7.131 -4.233 1.215 1.00 53.41 C ATOM 916 CD2 LEU A 60 5.251 -2.811 0.379 1.00 63.14 C ATOM 0 H LEU A 60 3.084 -4.250 4.422 1.00 43.44 H new ATOM 0 HA LEU A 60 6.005 -3.744 4.443 1.00 50.43 H new ATOM 0 HB2 LEU A 60 5.259 -5.100 2.540 1.00 51.32 H new ATOM 0 HB3 LEU A 60 4.011 -3.930 2.159 1.00 51.32 H new ATOM 0 HG LEU A 60 6.402 -2.455 2.137 1.00 64.52 H new ATOM 0 HD11 LEU A 60 7.808 -3.703 0.545 1.00 53.41 H new ATOM 0 HD12 LEU A 60 7.674 -4.544 2.107 1.00 53.41 H new ATOM 0 HD13 LEU A 60 6.733 -5.112 0.708 1.00 53.41 H new ATOM 0 HD21 LEU A 60 5.953 -2.300 -0.280 1.00 63.14 H new ATOM 0 HD22 LEU A 60 4.806 -3.655 -0.149 1.00 63.14 H new ATOM 0 HD23 LEU A 60 4.466 -2.117 0.681 1.00 63.14 H new ATOM 927 N GLN A 61 5.745 -1.292 4.467 1.00 52.24 N ATOM 928 CA GLN A 61 5.605 0.156 4.563 1.00 74.54 C ATOM 929 C GLN A 61 6.630 0.863 3.682 1.00 34.33 C ATOM 930 O GLN A 61 7.718 0.341 3.439 1.00 52.23 O ATOM 931 CB GLN A 61 5.764 0.609 6.016 1.00 2.40 C ATOM 932 CG GLN A 61 4.935 -0.199 7.000 1.00 62.45 C ATOM 933 CD GLN A 61 5.783 -0.896 8.045 1.00 75.12 C ATOM 934 OE1 GLN A 61 5.493 -0.832 9.240 1.00 61.13 O ATOM 935 NE2 GLN A 61 6.838 -1.567 7.600 1.00 11.41 N ATOM 0 H GLN A 61 6.665 -1.646 4.731 1.00 52.24 H new ATOM 0 HA GLN A 61 4.608 0.423 4.213 1.00 74.54 H new ATOM 0 HB2 GLN A 61 6.815 0.539 6.296 1.00 2.40 H new ATOM 0 HB3 GLN A 61 5.482 1.659 6.093 1.00 2.40 H new ATOM 0 HG2 GLN A 61 4.223 0.460 7.496 1.00 62.45 H new ATOM 0 HG3 GLN A 61 4.354 -0.943 6.455 1.00 62.45 H new ATOM 0 HE21 GLN A 61 7.041 -1.594 6.601 1.00 11.41 H new ATOM 0 HE22 GLN A 61 7.446 -2.056 8.257 1.00 11.41 H new ATOM 942 N VAL A 62 6.274 2.052 3.206 1.00 35.15 N ATOM 943 CA VAL A 62 7.164 2.831 2.354 1.00 63.11 C ATOM 944 C VAL A 62 7.654 4.084 3.068 1.00 74.44 C ATOM 945 O VAL A 62 6.858 4.935 3.468 1.00 11.02 O ATOM 946 CB VAL A 62 6.467 3.240 1.042 1.00 43.12 C ATOM 947 CG1 VAL A 62 7.481 3.776 0.043 1.00 14.21 C ATOM 948 CG2 VAL A 62 5.700 2.064 0.457 1.00 14.13 C ATOM 0 H VAL A 62 5.376 2.496 3.396 1.00 35.15 H new ATOM 0 HA VAL A 62 8.017 2.194 2.122 1.00 63.11 H new ATOM 0 HB VAL A 62 5.755 4.035 1.262 1.00 43.12 H new ATOM 0 HG11 VAL A 62 6.970 4.060 -0.877 1.00 14.21 H new ATOM 0 HG12 VAL A 62 7.981 4.648 0.464 1.00 14.21 H new ATOM 0 HG13 VAL A 62 8.220 3.005 -0.175 1.00 14.21 H new ATOM 0 HG21 VAL A 62 5.214 2.371 -0.469 1.00 14.13 H new ATOM 0 HG22 VAL A 62 6.390 1.246 0.251 1.00 14.13 H new ATOM 0 HG23 VAL A 62 4.945 1.731 1.170 1.00 14.13 H new ATOM 958 N ASP A 63 8.969 4.194 3.227 1.00 64.32 N ATOM 959 CA ASP A 63 9.566 5.346 3.892 1.00 21.42 C ATOM 960 C ASP A 63 10.112 6.340 2.873 1.00 0.31 C ATOM 961 O ASP A 63 10.931 5.986 2.023 1.00 74.11 O ATOM 962 CB ASP A 63 10.684 4.894 4.833 1.00 72.40 C ATOM 963 CG ASP A 63 11.849 4.269 4.091 1.00 54.14 C ATOM 964 OD1 ASP A 63 11.770 3.065 3.770 1.00 12.35 O ATOM 965 OD2 ASP A 63 12.837 4.985 3.831 1.00 1.42 O ATOM 0 H ASP A 63 9.642 3.499 2.904 1.00 64.32 H new ATOM 0 HA ASP A 63 8.789 5.842 4.474 1.00 21.42 H new ATOM 0 HB2 ASP A 63 11.040 5.750 5.407 1.00 72.40 H new ATOM 0 HB3 ASP A 63 10.284 4.175 5.548 1.00 72.40 H new ATOM 969 N LEU A 64 9.656 7.583 2.963 1.00 64.05 N ATOM 970 CA LEU A 64 10.098 8.630 2.048 1.00 65.35 C ATOM 971 C LEU A 64 10.939 9.671 2.777 1.00 33.32 C ATOM 972 O LEU A 64 12.100 9.896 2.437 1.00 52.31 O ATOM 973 CB LEU A 64 8.892 9.302 1.389 1.00 4.20 C ATOM 974 CG LEU A 64 8.332 8.608 0.147 1.00 30.52 C ATOM 975 CD1 LEU A 64 7.793 7.230 0.503 1.00 14.05 C ATOM 976 CD2 LEU A 64 7.245 9.457 -0.494 1.00 3.42 C ATOM 0 H LEU A 64 8.979 7.892 3.661 1.00 64.05 H new ATOM 0 HA LEU A 64 10.714 8.168 1.277 1.00 65.35 H new ATOM 0 HB2 LEU A 64 8.095 9.378 2.129 1.00 4.20 H new ATOM 0 HB3 LEU A 64 9.172 10.320 1.117 1.00 4.20 H new ATOM 0 HG LEU A 64 9.141 8.485 -0.573 1.00 30.52 H new ATOM 0 HD11 LEU A 64 7.399 6.751 -0.393 1.00 14.05 H new ATOM 0 HD12 LEU A 64 8.597 6.621 0.916 1.00 14.05 H new ATOM 0 HD13 LEU A 64 6.997 7.330 1.241 1.00 14.05 H new ATOM 0 HD21 LEU A 64 6.858 8.947 -1.376 1.00 3.42 H new ATOM 0 HD22 LEU A 64 6.436 9.612 0.220 1.00 3.42 H new ATOM 0 HD23 LEU A 64 7.661 10.421 -0.785 1.00 3.42 H new ATOM 987 N GLY A 65 10.346 10.304 3.786 1.00 41.21 N ATOM 988 CA GLY A 65 11.056 11.313 4.549 1.00 71.12 C ATOM 989 C GLY A 65 11.333 12.564 3.740 1.00 60.14 C ATOM 990 O GLY A 65 12.037 13.466 4.196 1.00 31.12 O ATOM 0 H GLY A 65 9.386 10.135 4.088 1.00 41.21 H new ATOM 0 HA2 GLY A 65 10.471 11.576 5.430 1.00 71.12 H new ATOM 0 HA3 GLY A 65 11.999 10.898 4.905 1.00 71.12 H new ATOM 994 N THR A 66 10.779 12.622 2.533 1.00 23.24 N ATOM 995 CA THR A 66 10.972 13.770 1.657 1.00 72.11 C ATOM 996 C THR A 66 9.699 14.604 1.554 1.00 34.44 C ATOM 997 O THR A 66 9.699 15.680 0.959 1.00 42.53 O ATOM 998 CB THR A 66 11.401 13.333 0.243 1.00 62.52 C ATOM 999 OG1 THR A 66 11.550 14.481 -0.600 1.00 63.10 O ATOM 1000 CG2 THR A 66 10.379 12.382 -0.362 1.00 24.11 C ATOM 0 H THR A 66 10.192 11.886 2.140 1.00 23.24 H new ATOM 0 HA THR A 66 11.765 14.374 2.099 1.00 72.11 H new ATOM 0 HB THR A 66 12.356 12.813 0.321 1.00 62.52 H new ATOM 0 HG1 THR A 66 11.040 15.230 -0.226 1.00 63.10 H new ATOM 0 HG21 THR A 66 10.703 12.087 -1.360 1.00 24.11 H new ATOM 0 HG22 THR A 66 10.289 11.496 0.267 1.00 24.11 H new ATOM 0 HG23 THR A 66 9.412 12.881 -0.427 1.00 24.11 H new ATOM 1008 N GLN A 67 8.619 14.099 2.141 1.00 60.14 N ATOM 1009 CA GLN A 67 7.339 14.798 2.114 1.00 33.10 C ATOM 1010 C GLN A 67 6.972 15.208 0.692 1.00 34.41 C ATOM 1011 O GLN A 67 7.111 16.372 0.315 1.00 12.53 O ATOM 1012 CB GLN A 67 7.391 16.033 3.017 1.00 42.43 C ATOM 1013 CG GLN A 67 6.042 16.412 3.607 1.00 63.41 C ATOM 1014 CD GLN A 67 6.151 16.926 5.029 1.00 44.40 C ATOM 1015 OE1 GLN A 67 6.865 17.892 5.299 1.00 4.44 O ATOM 1016 NE2 GLN A 67 5.441 16.281 5.948 1.00 1.54 N ATOM 0 H GLN A 67 8.604 13.210 2.640 1.00 60.14 H new ATOM 0 HA GLN A 67 6.573 14.117 2.484 1.00 33.10 H new ATOM 0 HB2 GLN A 67 8.095 15.850 3.829 1.00 42.43 H new ATOM 0 HB3 GLN A 67 7.777 16.876 2.444 1.00 42.43 H new ATOM 0 HG2 GLN A 67 5.578 17.176 2.983 1.00 63.41 H new ATOM 0 HG3 GLN A 67 5.384 15.543 3.588 1.00 63.41 H new ATOM 0 HE21 GLN A 67 4.862 15.485 5.680 1.00 1.54 H new ATOM 0 HE22 GLN A 67 5.474 16.582 6.922 1.00 1.54 H new ATOM 1023 N ARG A 68 6.501 14.245 -0.093 1.00 1.24 N ATOM 1024 CA ARG A 68 6.115 14.504 -1.474 1.00 53.43 C ATOM 1025 C ARG A 68 4.629 14.232 -1.685 1.00 73.11 C ATOM 1026 O ARG A 68 4.038 13.403 -0.993 1.00 73.33 O ATOM 1027 CB ARG A 68 6.943 13.642 -2.429 1.00 54.42 C ATOM 1028 CG ARG A 68 8.394 14.081 -2.543 1.00 52.41 C ATOM 1029 CD ARG A 68 8.510 15.468 -3.157 1.00 61.22 C ATOM 1030 NE ARG A 68 9.901 15.855 -3.374 1.00 43.25 N ATOM 1031 CZ ARG A 68 10.289 17.107 -3.593 1.00 12.11 C ATOM 1032 NH1 ARG A 68 9.396 18.086 -3.623 1.00 55.23 N ATOM 1033 NH2 ARG A 68 11.574 17.380 -3.782 1.00 14.35 N ATOM 0 H ARG A 68 6.378 13.277 0.205 1.00 1.24 H new ATOM 0 HA ARG A 68 6.307 15.556 -1.686 1.00 53.43 H new ATOM 0 HB2 ARG A 68 6.911 12.606 -2.090 1.00 54.42 H new ATOM 0 HB3 ARG A 68 6.485 13.668 -3.418 1.00 54.42 H new ATOM 0 HG2 ARG A 68 8.854 14.080 -1.555 1.00 52.41 H new ATOM 0 HG3 ARG A 68 8.945 13.365 -3.152 1.00 52.41 H new ATOM 0 HD2 ARG A 68 7.975 15.490 -4.106 1.00 61.22 H new ATOM 0 HD3 ARG A 68 8.029 16.195 -2.503 1.00 61.22 H new ATOM 0 HE ARG A 68 10.613 15.125 -3.357 1.00 43.25 H new ATOM 0 HH11 ARG A 68 8.408 17.879 -3.478 1.00 55.23 H new ATOM 0 HH12 ARG A 68 9.697 19.046 -3.791 1.00 55.23 H new ATOM 0 HH21 ARG A 68 12.264 16.629 -3.759 1.00 14.35 H new ATOM 0 HH22 ARG A 68 11.872 18.341 -3.950 1.00 14.35 H new ATOM 1044 N GLN A 69 4.033 14.934 -2.642 1.00 62.54 N ATOM 1045 CA GLN A 69 2.615 14.768 -2.941 1.00 4.33 C ATOM 1046 C GLN A 69 2.397 13.620 -3.921 1.00 24.32 C ATOM 1047 O GLN A 69 2.872 13.659 -5.056 1.00 63.21 O ATOM 1048 CB GLN A 69 2.039 16.062 -3.518 1.00 51.41 C ATOM 1049 CG GLN A 69 0.705 15.874 -4.220 1.00 64.55 C ATOM 1050 CD GLN A 69 -0.006 17.186 -4.488 1.00 22.03 C ATOM 1051 OE1 GLN A 69 -0.214 17.570 -5.639 1.00 11.14 O ATOM 1052 NE2 GLN A 69 -0.382 17.883 -3.422 1.00 70.12 N ATOM 0 H GLN A 69 4.509 15.623 -3.224 1.00 62.54 H new ATOM 0 HA GLN A 69 2.098 14.532 -2.011 1.00 4.33 H new ATOM 0 HB2 GLN A 69 1.917 16.786 -2.713 1.00 51.41 H new ATOM 0 HB3 GLN A 69 2.754 16.486 -4.223 1.00 51.41 H new ATOM 0 HG2 GLN A 69 0.866 15.354 -5.164 1.00 64.55 H new ATOM 0 HG3 GLN A 69 0.065 15.237 -3.610 1.00 64.55 H new ATOM 0 HE21 GLN A 69 -0.189 17.527 -2.486 1.00 70.12 H new ATOM 0 HE22 GLN A 69 -0.864 18.774 -3.539 1.00 70.12 H new ATOM 1059 N VAL A 70 1.676 12.596 -3.474 1.00 40.51 N ATOM 1060 CA VAL A 70 1.394 11.435 -4.311 1.00 54.41 C ATOM 1061 C VAL A 70 0.279 11.735 -5.308 1.00 10.04 C ATOM 1062 O VAL A 70 -0.699 12.407 -4.979 1.00 34.23 O ATOM 1063 CB VAL A 70 0.995 10.214 -3.462 1.00 74.02 C ATOM 1064 CG1 VAL A 70 2.116 9.839 -2.505 1.00 45.21 C ATOM 1065 CG2 VAL A 70 -0.294 10.493 -2.703 1.00 35.34 C ATOM 0 H VAL A 70 1.276 12.547 -2.537 1.00 40.51 H new ATOM 0 HA VAL A 70 2.311 11.205 -4.854 1.00 54.41 H new ATOM 0 HB VAL A 70 0.822 9.370 -4.129 1.00 74.02 H new ATOM 0 HG11 VAL A 70 1.815 8.974 -1.914 1.00 45.21 H new ATOM 0 HG12 VAL A 70 3.014 9.596 -3.074 1.00 45.21 H new ATOM 0 HG13 VAL A 70 2.323 10.678 -1.841 1.00 45.21 H new ATOM 0 HG21 VAL A 70 -0.562 9.620 -2.108 1.00 35.34 H new ATOM 0 HG22 VAL A 70 -0.151 11.350 -2.045 1.00 35.34 H new ATOM 0 HG23 VAL A 70 -1.094 10.709 -3.411 1.00 35.34 H new ATOM 1075 N THR A 71 0.434 11.231 -6.528 1.00 63.34 N ATOM 1076 CA THR A 71 -0.560 11.445 -7.574 1.00 34.44 C ATOM 1077 C THR A 71 -0.877 10.145 -8.304 1.00 14.12 C ATOM 1078 O THR A 71 -1.290 10.157 -9.463 1.00 41.11 O ATOM 1079 CB THR A 71 -0.082 12.492 -8.596 1.00 5.54 C ATOM 1080 OG1 THR A 71 1.122 13.115 -8.135 1.00 24.33 O ATOM 1081 CG2 THR A 71 -1.150 13.551 -8.827 1.00 4.54 C ATOM 0 H THR A 71 1.237 10.672 -6.817 1.00 63.34 H new ATOM 0 HA THR A 71 -1.462 11.812 -7.084 1.00 34.44 H new ATOM 0 HB THR A 71 0.112 11.982 -9.540 1.00 5.54 H new ATOM 0 HG1 THR A 71 0.901 13.805 -7.475 1.00 24.33 H new ATOM 0 HG21 THR A 71 -0.789 14.280 -9.553 1.00 4.54 H new ATOM 0 HG22 THR A 71 -2.055 13.078 -9.207 1.00 4.54 H new ATOM 0 HG23 THR A 71 -1.372 14.055 -7.886 1.00 4.54 H new ATOM 1089 N GLY A 72 -0.681 9.023 -7.618 1.00 70.34 N ATOM 1090 CA GLY A 72 -0.952 7.729 -8.218 1.00 0.21 C ATOM 1091 C GLY A 72 -0.183 6.607 -7.549 1.00 61.13 C ATOM 1092 O GLY A 72 0.711 6.855 -6.741 1.00 34.35 O ATOM 0 H GLY A 72 -0.339 8.987 -6.658 1.00 70.34 H new ATOM 0 HA2 GLY A 72 -2.020 7.520 -8.157 1.00 0.21 H new ATOM 0 HA3 GLY A 72 -0.694 7.762 -9.276 1.00 0.21 H new ATOM 1096 N ILE A 73 -0.534 5.370 -7.886 1.00 0.23 N ATOM 1097 CA ILE A 73 0.130 4.207 -7.311 1.00 63.34 C ATOM 1098 C ILE A 73 0.098 3.024 -8.274 1.00 53.21 C ATOM 1099 O ILE A 73 -0.830 2.885 -9.070 1.00 64.04 O ATOM 1100 CB ILE A 73 -0.522 3.787 -5.980 1.00 53.22 C ATOM 1101 CG1 ILE A 73 -2.047 3.835 -6.097 1.00 12.23 C ATOM 1102 CG2 ILE A 73 -0.043 4.686 -4.849 1.00 64.13 C ATOM 1103 CD1 ILE A 73 -2.738 2.639 -5.481 1.00 3.22 C ATOM 0 H ILE A 73 -1.273 5.148 -8.553 1.00 0.23 H new ATOM 0 HA ILE A 73 1.165 4.495 -7.125 1.00 63.34 H new ATOM 0 HB ILE A 73 -0.226 2.763 -5.754 1.00 53.22 H new ATOM 0 HG12 ILE A 73 -2.412 4.743 -5.616 1.00 12.23 H new ATOM 0 HG13 ILE A 73 -2.321 3.900 -7.150 1.00 12.23 H new ATOM 0 HG21 ILE A 73 -0.512 4.377 -3.915 1.00 64.13 H new ATOM 0 HG22 ILE A 73 1.040 4.606 -4.755 1.00 64.13 H new ATOM 0 HG23 ILE A 73 -0.313 5.719 -5.066 1.00 64.13 H new ATOM 0 HD11 ILE A 73 -3.817 2.740 -5.601 1.00 3.22 H new ATOM 0 HD12 ILE A 73 -2.402 1.729 -5.978 1.00 3.22 H new ATOM 0 HD13 ILE A 73 -2.494 2.585 -4.420 1.00 3.22 H new ATOM 1114 N ILE A 74 1.118 2.176 -8.194 1.00 62.21 N ATOM 1115 CA ILE A 74 1.206 1.004 -9.057 1.00 74.33 C ATOM 1116 C ILE A 74 1.668 -0.220 -8.275 1.00 53.11 C ATOM 1117 O ILE A 74 2.541 -0.127 -7.411 1.00 33.30 O ATOM 1118 CB ILE A 74 2.170 1.243 -10.234 1.00 25.11 C ATOM 1119 CG1 ILE A 74 1.927 0.212 -11.337 1.00 64.23 C ATOM 1120 CG2 ILE A 74 3.613 1.185 -9.756 1.00 32.30 C ATOM 1121 CD1 ILE A 74 1.455 0.820 -12.640 1.00 2.03 C ATOM 0 H ILE A 74 1.895 2.278 -7.541 1.00 62.21 H new ATOM 0 HA ILE A 74 0.205 0.824 -9.449 1.00 74.33 H new ATOM 0 HB ILE A 74 1.983 2.236 -10.643 1.00 25.11 H new ATOM 0 HG12 ILE A 74 2.849 -0.340 -11.516 1.00 64.23 H new ATOM 0 HG13 ILE A 74 1.186 -0.509 -10.992 1.00 64.23 H new ATOM 0 HG21 ILE A 74 4.283 1.356 -10.599 1.00 32.30 H new ATOM 0 HG22 ILE A 74 3.777 1.953 -9.001 1.00 32.30 H new ATOM 0 HG23 ILE A 74 3.815 0.204 -9.325 1.00 32.30 H new ATOM 0 HD11 ILE A 74 1.303 0.030 -13.376 1.00 2.03 H new ATOM 0 HD12 ILE A 74 0.516 1.349 -12.476 1.00 2.03 H new ATOM 0 HD13 ILE A 74 2.205 1.520 -13.008 1.00 2.03 H new ATOM 1132 N THR A 75 1.079 -1.371 -8.586 1.00 74.30 N ATOM 1133 CA THR A 75 1.431 -2.616 -7.913 1.00 73.03 C ATOM 1134 C THR A 75 1.752 -3.713 -8.922 1.00 34.51 C ATOM 1135 O THR A 75 1.133 -3.794 -9.981 1.00 44.14 O ATOM 1136 CB THR A 75 0.294 -3.096 -6.992 1.00 1.20 C ATOM 1137 OG1 THR A 75 0.050 -2.126 -5.967 1.00 2.05 O ATOM 1138 CG2 THR A 75 0.642 -4.435 -6.358 1.00 22.52 C ATOM 0 H THR A 75 0.356 -1.467 -9.299 1.00 74.30 H new ATOM 0 HA THR A 75 2.315 -2.412 -7.309 1.00 73.03 H new ATOM 0 HB THR A 75 -0.605 -3.219 -7.595 1.00 1.20 H new ATOM 0 HG1 THR A 75 -0.665 -2.446 -5.377 1.00 2.05 H new ATOM 0 HG21 THR A 75 -0.175 -4.755 -5.712 1.00 22.52 H new ATOM 0 HG22 THR A 75 0.798 -5.178 -7.140 1.00 22.52 H new ATOM 0 HG23 THR A 75 1.553 -4.332 -5.768 1.00 22.52 H new ATOM 1146 N GLN A 76 2.723 -4.555 -8.583 1.00 22.41 N ATOM 1147 CA GLN A 76 3.125 -5.648 -9.459 1.00 23.03 C ATOM 1148 C GLN A 76 3.398 -6.917 -8.658 1.00 54.41 C ATOM 1149 O GLN A 76 4.028 -6.872 -7.602 1.00 64.32 O ATOM 1150 CB GLN A 76 4.370 -5.258 -10.258 1.00 52.53 C ATOM 1151 CG GLN A 76 4.211 -5.438 -11.759 1.00 21.23 C ATOM 1152 CD GLN A 76 5.255 -4.676 -12.552 1.00 53.45 C ATOM 1153 OE1 GLN A 76 5.375 -3.381 -12.282 1.00 21.34 O flip ATOM 1154 NE2 GLN A 76 5.945 -5.244 -13.399 1.00 43.11 N flip ATOM 0 H GLN A 76 3.245 -4.501 -7.709 1.00 22.41 H new ATOM 0 HA GLN A 76 2.305 -5.846 -10.150 1.00 23.03 H new ATOM 0 HB2 GLN A 76 4.614 -4.216 -10.049 1.00 52.53 H new ATOM 0 HB3 GLN A 76 5.214 -5.858 -9.916 1.00 52.53 H new ATOM 0 HG2 GLN A 76 4.277 -6.498 -12.003 1.00 21.23 H new ATOM 0 HG3 GLN A 76 3.218 -5.104 -12.058 1.00 21.23 H new ATOM 0 HE21 GLN A 76 5.819 -6.241 -13.574 1.00 43.11 H new ATOM 0 HE22 GLN A 76 6.642 -4.718 -13.925 1.00 43.11 H new ATOM 1161 N GLY A 77 2.920 -8.048 -9.168 1.00 35.51 N ATOM 1162 CA GLY A 77 3.121 -9.313 -8.486 1.00 15.45 C ATOM 1163 C GLY A 77 4.348 -10.051 -8.985 1.00 31.11 C ATOM 1164 O GLY A 77 4.913 -9.701 -10.021 1.00 61.32 O ATOM 0 H GLY A 77 2.397 -8.111 -10.042 1.00 35.51 H new ATOM 0 HA2 GLY A 77 3.219 -9.134 -7.415 1.00 15.45 H new ATOM 0 HA3 GLY A 77 2.241 -9.941 -8.625 1.00 15.45 H new ATOM 1168 N ALA A 78 4.762 -11.075 -8.246 1.00 72.20 N ATOM 1169 CA ALA A 78 5.929 -11.865 -8.620 1.00 34.11 C ATOM 1170 C ALA A 78 5.562 -13.334 -8.800 1.00 0.43 C ATOM 1171 O ALA A 78 4.782 -13.888 -8.027 1.00 23.35 O ATOM 1172 CB ALA A 78 7.023 -11.717 -7.574 1.00 14.11 C ATOM 0 H ALA A 78 4.307 -11.377 -7.385 1.00 72.20 H new ATOM 0 HA ALA A 78 6.300 -11.491 -9.574 1.00 34.11 H new ATOM 0 HB1 ALA A 78 7.888 -12.312 -7.866 1.00 14.11 H new ATOM 0 HB2 ALA A 78 7.313 -10.669 -7.496 1.00 14.11 H new ATOM 0 HB3 ALA A 78 6.653 -12.064 -6.609 1.00 14.11 H new ATOM 1178 N ARG A 79 6.130 -13.958 -9.827 1.00 65.43 N ATOM 1179 CA ARG A 79 5.862 -15.364 -10.110 1.00 75.35 C ATOM 1180 C ARG A 79 7.151 -16.178 -10.091 1.00 12.52 C ATOM 1181 O ARG A 79 8.226 -15.665 -10.404 1.00 45.21 O ATOM 1182 CB ARG A 79 5.173 -15.509 -11.469 1.00 74.32 C ATOM 1183 CG ARG A 79 6.079 -15.194 -12.647 1.00 40.11 C ATOM 1184 CD ARG A 79 6.168 -16.368 -13.611 1.00 53.33 C ATOM 1185 NE ARG A 79 6.060 -15.941 -15.003 1.00 10.54 N ATOM 1186 CZ ARG A 79 4.926 -15.540 -15.564 1.00 62.10 C ATOM 1187 NH1 ARG A 79 3.806 -15.510 -14.855 1.00 63.23 N ATOM 1188 NH2 ARG A 79 4.908 -15.167 -16.838 1.00 10.54 N ATOM 0 H ARG A 79 6.778 -13.513 -10.477 1.00 65.43 H new ATOM 0 HA ARG A 79 5.201 -15.746 -9.332 1.00 75.35 H new ATOM 0 HB2 ARG A 79 4.800 -16.528 -11.571 1.00 74.32 H new ATOM 0 HB3 ARG A 79 4.307 -14.848 -11.500 1.00 74.32 H new ATOM 0 HG2 ARG A 79 5.702 -14.317 -13.173 1.00 40.11 H new ATOM 0 HG3 ARG A 79 7.076 -14.943 -12.284 1.00 40.11 H new ATOM 0 HD2 ARG A 79 7.115 -16.888 -13.463 1.00 53.33 H new ATOM 0 HD3 ARG A 79 5.375 -17.081 -13.388 1.00 53.33 H new ATOM 0 HE ARG A 79 6.903 -15.951 -15.577 1.00 10.54 H new ATOM 0 HH11 ARG A 79 3.814 -15.796 -13.876 1.00 63.23 H new ATOM 0 HH12 ARG A 79 2.936 -15.201 -15.289 1.00 63.23 H new ATOM 0 HH21 ARG A 79 5.767 -15.188 -17.388 1.00 10.54 H new ATOM 0 HH22 ARG A 79 4.035 -14.859 -17.267 1.00 10.54 H new ATOM 1199 N ASP A 80 7.036 -17.449 -9.722 1.00 52.22 N ATOM 1200 CA ASP A 80 8.193 -18.335 -9.663 1.00 63.13 C ATOM 1201 C ASP A 80 8.103 -19.418 -10.734 1.00 20.04 C ATOM 1202 O ASP A 80 8.516 -20.558 -10.515 1.00 74.44 O ATOM 1203 CB ASP A 80 8.301 -18.977 -8.279 1.00 55.23 C ATOM 1204 CG ASP A 80 9.626 -19.684 -8.070 1.00 72.12 C ATOM 1205 OD1 ASP A 80 10.677 -19.038 -8.258 1.00 23.13 O ATOM 1206 OD2 ASP A 80 9.610 -20.882 -7.718 1.00 1.31 O ATOM 0 H ASP A 80 6.154 -17.889 -9.459 1.00 52.22 H new ATOM 0 HA ASP A 80 9.086 -17.738 -9.849 1.00 63.13 H new ATOM 0 HB2 ASP A 80 8.178 -18.209 -7.515 1.00 55.23 H new ATOM 0 HB3 ASP A 80 7.487 -19.690 -8.148 1.00 55.23 H new ATOM 1210 N PHE A 81 7.560 -19.056 -11.891 1.00 10.22 N ATOM 1211 CA PHE A 81 7.414 -19.997 -12.995 1.00 62.43 C ATOM 1212 C PHE A 81 6.446 -21.118 -12.629 1.00 62.34 C ATOM 1213 O PHE A 81 6.855 -22.173 -12.145 1.00 54.53 O ATOM 1214 CB PHE A 81 8.774 -20.585 -13.375 1.00 1.33 C ATOM 1215 CG PHE A 81 9.860 -19.555 -13.499 1.00 53.00 C ATOM 1216 CD1 PHE A 81 10.011 -18.826 -14.668 1.00 33.11 C ATOM 1217 CD2 PHE A 81 10.730 -19.316 -12.448 1.00 0.04 C ATOM 1218 CE1 PHE A 81 11.008 -17.877 -14.785 1.00 54.52 C ATOM 1219 CE2 PHE A 81 11.730 -18.368 -12.559 1.00 72.43 C ATOM 1220 CZ PHE A 81 11.869 -17.648 -13.729 1.00 5.11 C ATOM 0 H PHE A 81 7.214 -18.117 -12.089 1.00 10.22 H new ATOM 0 HA PHE A 81 7.009 -19.456 -13.850 1.00 62.43 H new ATOM 0 HB2 PHE A 81 9.065 -21.320 -12.625 1.00 1.33 H new ATOM 0 HB3 PHE A 81 8.679 -21.117 -14.322 1.00 1.33 H new ATOM 0 HD1 PHE A 81 9.342 -19.002 -15.497 1.00 33.11 H new ATOM 0 HD2 PHE A 81 10.626 -19.877 -11.531 1.00 0.04 H new ATOM 0 HE1 PHE A 81 11.114 -17.315 -15.701 1.00 54.52 H new ATOM 0 HE2 PHE A 81 12.401 -18.191 -11.732 1.00 72.43 H new ATOM 0 HZ PHE A 81 12.650 -16.907 -13.819 1.00 5.11 H new ATOM 1229 N GLY A 82 5.159 -20.881 -12.865 1.00 3.04 N ATOM 1230 CA GLY A 82 4.152 -21.879 -12.554 1.00 4.11 C ATOM 1231 C GLY A 82 3.434 -21.591 -11.251 1.00 61.34 C ATOM 1232 O GLY A 82 2.204 -21.633 -11.189 1.00 72.14 O ATOM 0 H GLY A 82 4.796 -20.016 -13.266 1.00 3.04 H new ATOM 0 HA2 GLY A 82 3.424 -21.921 -13.365 1.00 4.11 H new ATOM 0 HA3 GLY A 82 4.623 -22.860 -12.497 1.00 4.11 H new ATOM 1236 N HIS A 83 4.201 -21.299 -10.205 1.00 21.14 N ATOM 1237 CA HIS A 83 3.629 -21.005 -8.896 1.00 20.33 C ATOM 1238 C HIS A 83 3.424 -19.504 -8.719 1.00 13.31 C ATOM 1239 O HIS A 83 3.639 -18.962 -7.633 1.00 42.24 O ATOM 1240 CB HIS A 83 4.536 -21.542 -7.787 1.00 44.21 C ATOM 1241 CG HIS A 83 4.371 -23.010 -7.538 1.00 53.14 C ATOM 1242 ND1 HIS A 83 3.242 -23.553 -6.961 1.00 52.13 N ATOM 1243 CD2 HIS A 83 5.199 -24.050 -7.792 1.00 54.32 C ATOM 1244 CE1 HIS A 83 3.384 -24.863 -6.869 1.00 2.34 C ATOM 1245 NE2 HIS A 83 4.563 -25.190 -7.367 1.00 53.41 N ATOM 0 H HIS A 83 5.220 -21.260 -10.239 1.00 21.14 H new ATOM 0 HA HIS A 83 2.659 -21.497 -8.831 1.00 20.33 H new ATOM 0 HB2 HIS A 83 5.575 -21.341 -8.049 1.00 44.21 H new ATOM 0 HB3 HIS A 83 4.329 -21.000 -6.865 1.00 44.21 H new ATOM 0 HD2 HIS A 83 6.178 -23.994 -8.245 1.00 54.32 H new ATOM 0 HE1 HIS A 83 2.660 -25.550 -6.457 1.00 2.34 H new ATOM 0 HE2 HIS A 83 4.940 -26.136 -7.426 1.00 53.41 H new ATOM 1252 N ILE A 84 3.009 -18.838 -9.790 1.00 13.51 N ATOM 1253 CA ILE A 84 2.776 -17.399 -9.752 1.00 42.24 C ATOM 1254 C ILE A 84 2.196 -16.972 -8.408 1.00 53.24 C ATOM 1255 O ILE A 84 1.267 -17.596 -7.896 1.00 55.21 O ATOM 1256 CB ILE A 84 1.820 -16.954 -10.875 1.00 70.05 C ATOM 1257 CG1 ILE A 84 2.342 -17.422 -12.234 1.00 2.42 C ATOM 1258 CG2 ILE A 84 1.650 -15.442 -10.858 1.00 52.21 C ATOM 1259 CD1 ILE A 84 1.528 -18.542 -12.843 1.00 33.33 C ATOM 0 H ILE A 84 2.827 -19.271 -10.695 1.00 13.51 H new ATOM 0 HA ILE A 84 3.743 -16.918 -9.897 1.00 42.24 H new ATOM 0 HB ILE A 84 0.845 -17.411 -10.705 1.00 70.05 H new ATOM 0 HG12 ILE A 84 2.351 -16.576 -12.921 1.00 2.42 H new ATOM 0 HG13 ILE A 84 3.374 -17.754 -12.123 1.00 2.42 H new ATOM 0 HG21 ILE A 84 0.972 -15.143 -11.657 1.00 52.21 H new ATOM 0 HG22 ILE A 84 1.238 -15.133 -9.898 1.00 52.21 H new ATOM 0 HG23 ILE A 84 2.619 -14.965 -11.007 1.00 52.21 H new ATOM 0 HD11 ILE A 84 1.957 -18.822 -13.805 1.00 33.33 H new ATOM 0 HD12 ILE A 84 1.539 -19.404 -12.176 1.00 33.33 H new ATOM 0 HD13 ILE A 84 0.500 -18.208 -12.987 1.00 33.33 H new ATOM 1270 N GLN A 85 2.750 -15.903 -7.843 1.00 64.30 N ATOM 1271 CA GLN A 85 2.287 -15.392 -6.559 1.00 65.35 C ATOM 1272 C GLN A 85 1.862 -13.932 -6.675 1.00 3.41 C ATOM 1273 O GLN A 85 2.381 -13.189 -7.508 1.00 21.13 O ATOM 1274 CB GLN A 85 3.385 -15.534 -5.504 1.00 24.23 C ATOM 1275 CG GLN A 85 4.100 -16.874 -5.547 1.00 3.25 C ATOM 1276 CD GLN A 85 5.362 -16.890 -4.706 1.00 41.22 C ATOM 1277 OE1 GLN A 85 5.492 -17.685 -3.774 1.00 44.31 O ATOM 1278 NE2 GLN A 85 6.301 -16.010 -5.032 1.00 54.32 N ATOM 0 H GLN A 85 3.519 -15.375 -8.255 1.00 64.30 H new ATOM 0 HA GLN A 85 1.421 -15.980 -6.253 1.00 65.35 H new ATOM 0 HB2 GLN A 85 4.116 -14.737 -5.643 1.00 24.23 H new ATOM 0 HB3 GLN A 85 2.947 -15.397 -4.515 1.00 24.23 H new ATOM 0 HG2 GLN A 85 3.424 -17.654 -5.196 1.00 3.25 H new ATOM 0 HG3 GLN A 85 4.353 -17.113 -6.580 1.00 3.25 H new ATOM 0 HE21 GLN A 85 6.151 -15.370 -5.812 1.00 54.32 H new ATOM 0 HE22 GLN A 85 7.172 -15.974 -4.503 1.00 54.32 H new ATOM 1285 N TYR A 86 0.916 -13.527 -5.835 1.00 23.42 N ATOM 1286 CA TYR A 86 0.420 -12.157 -5.845 1.00 40.40 C ATOM 1287 C TYR A 86 -0.595 -11.936 -4.727 1.00 2.42 C ATOM 1288 O TYR A 86 -1.341 -12.844 -4.362 1.00 71.02 O ATOM 1289 CB TYR A 86 -0.216 -11.833 -7.198 1.00 64.34 C ATOM 1290 CG TYR A 86 -0.559 -10.370 -7.371 1.00 64.22 C ATOM 1291 CD1 TYR A 86 0.318 -9.377 -6.956 1.00 22.23 C ATOM 1292 CD2 TYR A 86 -1.760 -9.983 -7.952 1.00 71.24 C ATOM 1293 CE1 TYR A 86 0.009 -8.040 -7.112 1.00 73.23 C ATOM 1294 CE2 TYR A 86 -2.078 -8.648 -8.113 1.00 0.31 C ATOM 1295 CZ TYR A 86 -1.190 -7.681 -7.691 1.00 75.24 C ATOM 1296 OH TYR A 86 -1.502 -6.349 -7.849 1.00 74.24 O ATOM 0 H TYR A 86 0.477 -14.129 -5.138 1.00 23.42 H new ATOM 0 HA TYR A 86 1.266 -11.490 -5.679 1.00 40.40 H new ATOM 0 HB2 TYR A 86 0.467 -12.134 -7.992 1.00 64.34 H new ATOM 0 HB3 TYR A 86 -1.123 -12.427 -7.315 1.00 64.34 H new ATOM 0 HD1 TYR A 86 1.258 -9.655 -6.503 1.00 22.23 H new ATOM 0 HD2 TYR A 86 -2.457 -10.738 -8.284 1.00 71.24 H new ATOM 0 HE1 TYR A 86 0.702 -7.280 -6.783 1.00 73.23 H new ATOM 0 HE2 TYR A 86 -3.016 -8.364 -8.566 1.00 0.31 H new ATOM 0 HH TYR A 86 -2.381 -6.267 -8.274 1.00 74.24 H new ATOM 1305 N VAL A 87 -0.616 -10.721 -4.188 1.00 3.43 N ATOM 1306 CA VAL A 87 -1.539 -10.379 -3.113 1.00 53.22 C ATOM 1307 C VAL A 87 -2.835 -9.798 -3.666 1.00 33.22 C ATOM 1308 O VAL A 87 -2.860 -9.245 -4.765 1.00 23.11 O ATOM 1309 CB VAL A 87 -0.911 -9.366 -2.136 1.00 61.53 C ATOM 1310 CG1 VAL A 87 -1.752 -9.250 -0.874 1.00 34.43 C ATOM 1311 CG2 VAL A 87 0.518 -9.767 -1.799 1.00 62.22 C ATOM 0 H VAL A 87 -0.005 -9.958 -4.478 1.00 3.43 H new ATOM 0 HA VAL A 87 -1.758 -11.303 -2.577 1.00 53.22 H new ATOM 0 HB VAL A 87 -0.886 -8.389 -2.619 1.00 61.53 H new ATOM 0 HG11 VAL A 87 -1.293 -8.530 -0.196 1.00 34.43 H new ATOM 0 HG12 VAL A 87 -2.755 -8.914 -1.135 1.00 34.43 H new ATOM 0 HG13 VAL A 87 -1.811 -10.223 -0.385 1.00 34.43 H new ATOM 0 HG21 VAL A 87 0.946 -9.041 -1.108 1.00 62.22 H new ATOM 0 HG22 VAL A 87 0.519 -10.754 -1.335 1.00 62.22 H new ATOM 0 HG23 VAL A 87 1.113 -9.794 -2.712 1.00 62.22 H new ATOM 1321 N ALA A 88 -3.910 -9.926 -2.895 1.00 64.34 N ATOM 1322 CA ALA A 88 -5.211 -9.411 -3.307 1.00 1.12 C ATOM 1323 C ALA A 88 -5.707 -8.338 -2.344 1.00 32.14 C ATOM 1324 O ALA A 88 -5.629 -7.144 -2.635 1.00 24.40 O ATOM 1325 CB ALA A 88 -6.221 -10.545 -3.403 1.00 35.50 C ATOM 0 H ALA A 88 -3.906 -10.381 -1.982 1.00 64.34 H new ATOM 0 HA ALA A 88 -5.099 -8.955 -4.291 1.00 1.12 H new ATOM 0 HB1 ALA A 88 -7.187 -10.146 -3.711 1.00 35.50 H new ATOM 0 HB2 ALA A 88 -5.879 -11.276 -4.136 1.00 35.50 H new ATOM 0 HB3 ALA A 88 -6.321 -11.027 -2.430 1.00 35.50 H new ATOM 1331 N SER A 89 -6.216 -8.771 -1.194 1.00 11.41 N ATOM 1332 CA SER A 89 -6.729 -7.848 -0.190 1.00 54.33 C ATOM 1333 C SER A 89 -5.601 -7.330 0.698 1.00 54.23 C ATOM 1334 O SER A 89 -4.857 -8.110 1.292 1.00 33.32 O ATOM 1335 CB SER A 89 -7.795 -8.533 0.667 1.00 51.12 C ATOM 1336 OG SER A 89 -8.679 -9.297 -0.134 1.00 33.13 O ATOM 0 H SER A 89 -6.284 -9.755 -0.936 1.00 11.41 H new ATOM 0 HA SER A 89 -7.179 -7.001 -0.707 1.00 54.33 H new ATOM 0 HB2 SER A 89 -7.315 -9.179 1.402 1.00 51.12 H new ATOM 0 HB3 SER A 89 -8.358 -7.782 1.221 1.00 51.12 H new ATOM 0 HG SER A 89 -9.438 -9.595 0.409 1.00 33.13 H new ATOM 1341 N TYR A 90 -5.482 -6.009 0.784 1.00 23.23 N ATOM 1342 CA TYR A 90 -4.445 -5.387 1.597 1.00 55.43 C ATOM 1343 C TYR A 90 -4.826 -3.957 1.965 1.00 73.25 C ATOM 1344 O TYR A 90 -5.278 -3.184 1.120 1.00 63.34 O ATOM 1345 CB TYR A 90 -3.109 -5.394 0.851 1.00 43.35 C ATOM 1346 CG TYR A 90 -3.092 -4.499 -0.367 1.00 50.51 C ATOM 1347 CD1 TYR A 90 -2.736 -3.159 -0.264 1.00 61.32 C ATOM 1348 CD2 TYR A 90 -3.432 -4.990 -1.622 1.00 21.15 C ATOM 1349 CE1 TYR A 90 -2.719 -2.337 -1.374 1.00 14.22 C ATOM 1350 CE2 TYR A 90 -3.416 -4.176 -2.736 1.00 43.33 C ATOM 1351 CZ TYR A 90 -3.060 -2.850 -2.608 1.00 45.20 C ATOM 1352 OH TYR A 90 -3.044 -2.035 -3.717 1.00 21.21 O ATOM 0 H TYR A 90 -6.091 -5.349 0.300 1.00 23.23 H new ATOM 0 HA TYR A 90 -4.344 -5.965 2.515 1.00 55.43 H new ATOM 0 HB2 TYR A 90 -2.319 -5.080 1.534 1.00 43.35 H new ATOM 0 HB3 TYR A 90 -2.878 -6.414 0.545 1.00 43.35 H new ATOM 0 HD1 TYR A 90 -2.468 -2.754 0.701 1.00 61.32 H new ATOM 0 HD2 TYR A 90 -3.714 -6.027 -1.727 1.00 21.15 H new ATOM 0 HE1 TYR A 90 -2.440 -1.298 -1.276 1.00 14.22 H new ATOM 0 HE2 TYR A 90 -3.681 -4.576 -3.704 1.00 43.33 H new ATOM 0 HH TYR A 90 -2.536 -2.468 -4.434 1.00 21.21 H new ATOM 1361 N LYS A 91 -4.641 -3.610 3.235 1.00 42.05 N ATOM 1362 CA LYS A 91 -4.964 -2.273 3.718 1.00 11.24 C ATOM 1363 C LYS A 91 -3.774 -1.333 3.551 1.00 53.01 C ATOM 1364 O LYS A 91 -2.817 -1.383 4.323 1.00 34.05 O ATOM 1365 CB LYS A 91 -5.382 -2.327 5.189 1.00 32.42 C ATOM 1366 CG LYS A 91 -6.757 -1.740 5.453 1.00 51.23 C ATOM 1367 CD LYS A 91 -6.802 -0.256 5.126 1.00 73.10 C ATOM 1368 CE LYS A 91 -8.061 0.107 4.353 1.00 32.25 C ATOM 1369 NZ LYS A 91 -7.749 0.570 2.972 1.00 75.14 N ATOM 0 H LYS A 91 -4.269 -4.237 3.948 1.00 42.05 H new ATOM 0 HA LYS A 91 -5.794 -1.890 3.125 1.00 11.24 H new ATOM 0 HB2 LYS A 91 -5.369 -3.364 5.524 1.00 32.42 H new ATOM 0 HB3 LYS A 91 -4.646 -1.790 5.787 1.00 32.42 H new ATOM 0 HG2 LYS A 91 -7.500 -2.268 4.855 1.00 51.23 H new ATOM 0 HG3 LYS A 91 -7.024 -1.891 6.499 1.00 51.23 H new ATOM 0 HD2 LYS A 91 -6.761 0.322 6.049 1.00 73.10 H new ATOM 0 HD3 LYS A 91 -5.923 0.015 4.541 1.00 73.10 H new ATOM 0 HE2 LYS A 91 -8.721 -0.759 4.305 1.00 32.25 H new ATOM 0 HE3 LYS A 91 -8.601 0.890 4.885 1.00 32.25 H new ATOM 0 HZ1 LYS A 91 -8.577 1.057 2.574 1.00 75.14 H new ATOM 0 HZ2 LYS A 91 -6.942 1.225 3.000 1.00 75.14 H new ATOM 0 HZ3 LYS A 91 -7.510 -0.249 2.377 1.00 75.14 H new ATOM 1379 N VAL A 92 -3.841 -0.474 2.538 1.00 32.30 N ATOM 1380 CA VAL A 92 -2.771 0.479 2.272 1.00 41.34 C ATOM 1381 C VAL A 92 -3.146 1.876 2.756 1.00 31.41 C ATOM 1382 O VAL A 92 -4.107 2.473 2.275 1.00 51.43 O ATOM 1383 CB VAL A 92 -2.437 0.542 0.769 1.00 53.25 C ATOM 1384 CG1 VAL A 92 -3.693 0.807 -0.047 1.00 35.05 C ATOM 1385 CG2 VAL A 92 -1.383 1.607 0.503 1.00 43.20 C ATOM 0 H VAL A 92 -4.626 -0.419 1.888 1.00 32.30 H new ATOM 0 HA VAL A 92 -1.894 0.131 2.818 1.00 41.34 H new ATOM 0 HB VAL A 92 -2.032 -0.423 0.463 1.00 53.25 H new ATOM 0 HG11 VAL A 92 -3.437 0.848 -1.106 1.00 35.05 H new ATOM 0 HG12 VAL A 92 -4.412 0.006 0.122 1.00 35.05 H new ATOM 0 HG13 VAL A 92 -4.131 1.758 0.258 1.00 35.05 H new ATOM 0 HG21 VAL A 92 -1.159 1.638 -0.563 1.00 43.20 H new ATOM 0 HG22 VAL A 92 -1.759 2.579 0.824 1.00 43.20 H new ATOM 0 HG23 VAL A 92 -0.476 1.368 1.058 1.00 43.20 H new ATOM 1395 N ALA A 93 -2.378 2.390 3.712 1.00 63.42 N ATOM 1396 CA ALA A 93 -2.629 3.716 4.261 1.00 53.41 C ATOM 1397 C ALA A 93 -1.399 4.608 4.121 1.00 55.55 C ATOM 1398 O ALA A 93 -0.265 4.139 4.218 1.00 70.13 O ATOM 1399 CB ALA A 93 -3.044 3.614 5.721 1.00 73.25 C ATOM 0 H ALA A 93 -1.578 1.908 4.121 1.00 63.42 H new ATOM 0 HA ALA A 93 -3.443 4.169 3.695 1.00 53.41 H new ATOM 0 HB1 ALA A 93 -3.228 4.612 6.118 1.00 73.25 H new ATOM 0 HB2 ALA A 93 -3.954 3.019 5.800 1.00 73.25 H new ATOM 0 HB3 ALA A 93 -2.248 3.138 6.293 1.00 73.25 H new ATOM 1405 N HIS A 94 -1.632 5.896 3.891 1.00 55.34 N ATOM 1406 CA HIS A 94 -0.543 6.855 3.737 1.00 30.43 C ATOM 1407 C HIS A 94 -0.489 7.812 4.924 1.00 43.21 C ATOM 1408 O HIS A 94 -1.523 8.246 5.432 1.00 64.14 O ATOM 1409 CB HIS A 94 -0.709 7.644 2.437 1.00 32.50 C ATOM 1410 CG HIS A 94 -0.561 6.806 1.205 1.00 62.11 C ATOM 1411 ND1 HIS A 94 0.096 7.242 0.074 1.00 63.34 N ATOM 1412 CD2 HIS A 94 -0.988 5.551 0.931 1.00 61.11 C ATOM 1413 CE1 HIS A 94 0.064 6.292 -0.844 1.00 23.01 C ATOM 1414 NE2 HIS A 94 -0.587 5.255 -0.348 1.00 40.41 N ATOM 0 H HIS A 94 -2.565 6.300 3.807 1.00 55.34 H new ATOM 0 HA HIS A 94 0.394 6.299 3.698 1.00 30.43 H new ATOM 0 HB2 HIS A 94 -1.692 8.115 2.430 1.00 32.50 H new ATOM 0 HB3 HIS A 94 0.029 8.446 2.412 1.00 32.50 H new ATOM 0 HD2 HIS A 94 -1.541 4.903 1.595 1.00 61.11 H new ATOM 0 HE1 HIS A 94 0.496 6.353 -1.832 1.00 23.01 H new ATOM 0 HE2 HIS A 94 -0.763 4.377 -0.836 1.00 40.41 H new ATOM 1421 N SER A 95 0.723 8.136 5.362 1.00 72.22 N ATOM 1422 CA SER A 95 0.911 9.038 6.493 1.00 51.41 C ATOM 1423 C SER A 95 1.857 10.178 6.127 1.00 44.55 C ATOM 1424 O SER A 95 2.944 9.951 5.594 1.00 73.54 O ATOM 1425 CB SER A 95 1.461 8.272 7.698 1.00 64.04 C ATOM 1426 OG SER A 95 1.346 6.872 7.508 1.00 50.33 O ATOM 0 H SER A 95 1.589 7.788 4.951 1.00 72.22 H new ATOM 0 HA SER A 95 -0.059 9.462 6.753 1.00 51.41 H new ATOM 0 HB2 SER A 95 2.507 8.536 7.854 1.00 64.04 H new ATOM 0 HB3 SER A 95 0.920 8.566 8.598 1.00 64.04 H new ATOM 0 HG SER A 95 2.006 6.576 6.847 1.00 50.33 H new ATOM 1431 N ASP A 96 1.434 11.404 6.415 1.00 65.40 N ATOM 1432 CA ASP A 96 2.243 12.581 6.117 1.00 62.52 C ATOM 1433 C ASP A 96 3.105 12.965 7.316 1.00 71.44 C ATOM 1434 O ASP A 96 4.263 13.351 7.161 1.00 70.24 O ATOM 1435 CB ASP A 96 1.345 13.755 5.722 1.00 1.22 C ATOM 1436 CG ASP A 96 0.424 14.185 6.845 1.00 35.32 C ATOM 1437 OD1 ASP A 96 -0.681 13.613 6.960 1.00 14.23 O ATOM 1438 OD2 ASP A 96 0.808 15.092 7.612 1.00 75.51 O ATOM 0 H ASP A 96 0.536 11.609 6.854 1.00 65.40 H new ATOM 0 HA ASP A 96 2.901 12.339 5.282 1.00 62.52 H new ATOM 0 HB2 ASP A 96 1.967 14.599 5.423 1.00 1.22 H new ATOM 0 HB3 ASP A 96 0.748 13.475 4.854 1.00 1.22 H new ATOM 1442 N ASP A 97 2.530 12.857 8.509 1.00 15.41 N ATOM 1443 CA ASP A 97 3.246 13.193 9.735 1.00 53.32 C ATOM 1444 C ASP A 97 3.866 11.948 10.361 1.00 73.41 C ATOM 1445 O ASP A 97 4.792 12.042 11.166 1.00 24.45 O ATOM 1446 CB ASP A 97 2.304 13.866 10.733 1.00 40.11 C ATOM 1447 CG ASP A 97 3.046 14.503 11.891 1.00 73.12 C ATOM 1448 OD1 ASP A 97 3.509 15.654 11.739 1.00 71.25 O ATOM 1449 OD2 ASP A 97 3.163 13.853 12.951 1.00 63.31 O ATOM 0 H ASP A 97 1.571 12.540 8.653 1.00 15.41 H new ATOM 0 HA ASP A 97 4.047 13.886 9.480 1.00 53.32 H new ATOM 0 HB2 ASP A 97 1.718 14.627 10.218 1.00 40.11 H new ATOM 0 HB3 ASP A 97 1.600 13.128 11.118 1.00 40.11 H new ATOM 1453 N GLY A 98 3.347 10.782 9.986 1.00 15.23 N ATOM 1454 CA GLY A 98 3.861 9.536 10.522 1.00 23.35 C ATOM 1455 C GLY A 98 2.905 8.889 11.504 1.00 64.22 C ATOM 1456 O GLY A 98 2.927 7.672 11.694 1.00 42.55 O ATOM 0 H GLY A 98 2.580 10.679 9.321 1.00 15.23 H new ATOM 0 HA2 GLY A 98 4.057 8.845 9.702 1.00 23.35 H new ATOM 0 HA3 GLY A 98 4.814 9.723 11.017 1.00 23.35 H new ATOM 1460 N VAL A 99 2.062 9.703 12.132 1.00 0.53 N ATOM 1461 CA VAL A 99 1.094 9.203 13.100 1.00 61.24 C ATOM 1462 C VAL A 99 -0.291 9.072 12.474 1.00 15.21 C ATOM 1463 O VAL A 99 -1.048 8.160 12.806 1.00 51.54 O ATOM 1464 CB VAL A 99 1.005 10.124 14.331 1.00 24.31 C ATOM 1465 CG1 VAL A 99 0.577 11.524 13.921 1.00 72.23 C ATOM 1466 CG2 VAL A 99 0.045 9.544 15.360 1.00 13.32 C ATOM 0 H VAL A 99 2.030 10.712 11.987 1.00 0.53 H new ATOM 0 HA VAL A 99 1.441 8.219 13.417 1.00 61.24 H new ATOM 0 HB VAL A 99 1.993 10.191 14.786 1.00 24.31 H new ATOM 0 HG11 VAL A 99 0.520 12.160 14.804 1.00 72.23 H new ATOM 0 HG12 VAL A 99 1.305 11.937 13.223 1.00 72.23 H new ATOM 0 HG13 VAL A 99 -0.401 11.480 13.442 1.00 72.23 H new ATOM 0 HG21 VAL A 99 -0.007 10.207 16.224 1.00 13.32 H new ATOM 0 HG22 VAL A 99 -0.947 9.446 14.918 1.00 13.32 H new ATOM 0 HG23 VAL A 99 0.400 8.563 15.676 1.00 13.32 H new ATOM 1476 N GLN A 100 -0.614 9.989 11.568 1.00 35.31 N ATOM 1477 CA GLN A 100 -1.908 9.977 10.897 1.00 22.21 C ATOM 1478 C GLN A 100 -1.879 9.063 9.677 1.00 63.20 C ATOM 1479 O GLN A 100 -1.368 9.437 8.621 1.00 34.14 O ATOM 1480 CB GLN A 100 -2.303 11.394 10.479 1.00 51.14 C ATOM 1481 CG GLN A 100 -2.137 12.424 11.585 1.00 5.10 C ATOM 1482 CD GLN A 100 -2.767 13.759 11.238 1.00 63.41 C ATOM 1483 OE1 GLN A 100 -3.991 13.895 11.222 1.00 22.14 O ATOM 1484 NE2 GLN A 100 -1.933 14.753 10.959 1.00 1.33 N ATOM 0 H GLN A 100 0.003 10.749 11.282 1.00 35.31 H new ATOM 0 HA GLN A 100 -2.649 9.594 11.598 1.00 22.21 H new ATOM 0 HB2 GLN A 100 -1.699 11.693 9.622 1.00 51.14 H new ATOM 0 HB3 GLN A 100 -3.342 11.390 10.150 1.00 51.14 H new ATOM 0 HG2 GLN A 100 -2.585 12.042 12.502 1.00 5.10 H new ATOM 0 HG3 GLN A 100 -1.075 12.569 11.785 1.00 5.10 H new ATOM 0 HE21 GLN A 100 -0.926 14.596 10.984 1.00 1.33 H new ATOM 0 HE22 GLN A 100 -2.300 15.674 10.719 1.00 1.33 H new ATOM 1491 N TRP A 101 -2.430 7.864 9.829 1.00 70.31 N ATOM 1492 CA TRP A 101 -2.468 6.896 8.739 1.00 52.52 C ATOM 1493 C TRP A 101 -3.800 6.957 8.001 1.00 51.51 C ATOM 1494 O TRP A 101 -4.816 6.462 8.489 1.00 34.42 O ATOM 1495 CB TRP A 101 -2.232 5.484 9.275 1.00 63.51 C ATOM 1496 CG TRP A 101 -1.122 5.407 10.279 1.00 21.40 C ATOM 1497 CD1 TRP A 101 0.028 6.143 10.287 1.00 21.53 C ATOM 1498 CD2 TRP A 101 -1.057 4.544 11.421 1.00 43.22 C ATOM 1499 NE1 TRP A 101 0.804 5.790 11.364 1.00 32.54 N ATOM 1500 CE2 TRP A 101 0.160 4.812 12.076 1.00 21.23 C ATOM 1501 CE3 TRP A 101 -1.910 3.574 11.953 1.00 25.14 C ATOM 1502 CZ2 TRP A 101 0.545 4.142 13.235 1.00 41.01 C ATOM 1503 CZ3 TRP A 101 -1.527 2.909 13.103 1.00 11.32 C ATOM 1504 CH2 TRP A 101 -0.309 3.197 13.734 1.00 21.34 C ATOM 0 H TRP A 101 -2.857 7.539 10.697 1.00 70.31 H new ATOM 0 HA TRP A 101 -1.674 7.148 8.036 1.00 52.52 H new ATOM 0 HB2 TRP A 101 -3.152 5.118 9.732 1.00 63.51 H new ATOM 0 HB3 TRP A 101 -2.005 4.820 8.441 1.00 63.51 H new ATOM 0 HD1 TRP A 101 0.289 6.892 9.554 1.00 21.53 H new ATOM 0 HE1 TRP A 101 1.713 6.191 11.596 1.00 32.54 H new ATOM 0 HE3 TRP A 101 -2.851 3.348 11.475 1.00 25.14 H new ATOM 0 HZ2 TRP A 101 1.484 4.361 13.722 1.00 41.01 H new ATOM 0 HZ3 TRP A 101 -2.177 2.155 13.522 1.00 11.32 H new ATOM 0 HH2 TRP A 101 -0.039 2.662 14.633 1.00 21.34 H new ATOM 1514 N THR A 102 -3.791 7.569 6.820 1.00 53.31 N ATOM 1515 CA THR A 102 -4.999 7.697 6.015 1.00 63.43 C ATOM 1516 C THR A 102 -5.246 6.439 5.191 1.00 25.23 C ATOM 1517 O THR A 102 -4.522 6.157 4.235 1.00 53.14 O ATOM 1518 CB THR A 102 -4.919 8.908 5.069 1.00 53.34 C ATOM 1519 OG1 THR A 102 -4.776 10.114 5.828 1.00 33.01 O ATOM 1520 CG2 THR A 102 -6.162 8.997 4.197 1.00 44.33 C ATOM 0 H THR A 102 -2.959 7.984 6.400 1.00 53.31 H new ATOM 0 HA THR A 102 -5.827 7.842 6.709 1.00 63.43 H new ATOM 0 HB THR A 102 -4.050 8.780 4.424 1.00 53.34 H new ATOM 0 HG1 THR A 102 -4.724 10.880 5.219 1.00 33.01 H new ATOM 0 HG21 THR A 102 -6.082 9.861 3.537 1.00 44.33 H new ATOM 0 HG22 THR A 102 -6.253 8.090 3.599 1.00 44.33 H new ATOM 0 HG23 THR A 102 -7.043 9.104 4.829 1.00 44.33 H new ATOM 1528 N VAL A 103 -6.273 5.682 5.567 1.00 43.41 N ATOM 1529 CA VAL A 103 -6.616 4.454 4.860 1.00 4.41 C ATOM 1530 C VAL A 103 -7.659 4.714 3.779 1.00 40.42 C ATOM 1531 O VAL A 103 -8.505 5.597 3.918 1.00 34.21 O ATOM 1532 CB VAL A 103 -7.153 3.381 5.827 1.00 1.24 C ATOM 1533 CG1 VAL A 103 -6.046 2.893 6.750 1.00 22.33 C ATOM 1534 CG2 VAL A 103 -8.325 3.926 6.629 1.00 2.32 C ATOM 0 H VAL A 103 -6.881 5.898 6.357 1.00 43.41 H new ATOM 0 HA VAL A 103 -5.699 4.090 4.396 1.00 4.41 H new ATOM 0 HB VAL A 103 -7.506 2.532 5.241 1.00 1.24 H new ATOM 0 HG11 VAL A 103 -6.443 2.136 7.426 1.00 22.33 H new ATOM 0 HG12 VAL A 103 -5.240 2.462 6.156 1.00 22.33 H new ATOM 0 HG13 VAL A 103 -5.660 3.731 7.331 1.00 22.33 H new ATOM 0 HG21 VAL A 103 -8.692 3.155 7.307 1.00 2.32 H new ATOM 0 HG22 VAL A 103 -8.000 4.792 7.206 1.00 2.32 H new ATOM 0 HG23 VAL A 103 -9.124 4.222 5.950 1.00 2.32 H new ATOM 1544 N TYR A 104 -7.592 3.940 2.701 1.00 74.01 N ATOM 1545 CA TYR A 104 -8.529 4.088 1.594 1.00 24.21 C ATOM 1546 C TYR A 104 -9.772 3.232 1.815 1.00 63.15 C ATOM 1547 O TYR A 104 -9.800 2.055 1.455 1.00 51.15 O ATOM 1548 CB TYR A 104 -7.858 3.702 0.275 1.00 32.41 C ATOM 1549 CG TYR A 104 -6.664 4.563 -0.072 1.00 63.14 C ATOM 1550 CD1 TYR A 104 -6.829 5.886 -0.464 1.00 64.23 C ATOM 1551 CD2 TYR A 104 -5.373 4.054 -0.010 1.00 32.40 C ATOM 1552 CE1 TYR A 104 -5.742 6.677 -0.783 1.00 4.02 C ATOM 1553 CE2 TYR A 104 -4.280 4.838 -0.326 1.00 70.42 C ATOM 1554 CZ TYR A 104 -4.471 6.148 -0.712 1.00 2.43 C ATOM 1555 OH TYR A 104 -3.385 6.932 -1.029 1.00 5.33 O ATOM 0 H TYR A 104 -6.898 3.204 2.571 1.00 74.01 H new ATOM 0 HA TYR A 104 -8.834 5.134 1.546 1.00 24.21 H new ATOM 0 HB2 TYR A 104 -7.541 2.661 0.330 1.00 32.41 H new ATOM 0 HB3 TYR A 104 -8.591 3.770 -0.529 1.00 32.41 H new ATOM 0 HD1 TYR A 104 -7.824 6.303 -0.520 1.00 64.23 H new ATOM 0 HD2 TYR A 104 -5.221 3.028 0.290 1.00 32.40 H new ATOM 0 HE1 TYR A 104 -5.887 7.703 -1.086 1.00 4.02 H new ATOM 0 HE2 TYR A 104 -3.283 4.427 -0.271 1.00 70.42 H new ATOM 0 HH TYR A 104 -2.577 6.378 -1.052 1.00 5.33 H new ATOM 1632 N LYS A 111 -12.649 -0.377 4.409 1.00 65.23 N ATOM 1633 CA LYS A 111 -12.379 -1.741 3.969 1.00 44.03 C ATOM 1634 C LYS A 111 -11.072 -1.812 3.187 1.00 75.02 C ATOM 1635 O LYS A 111 -10.742 -0.902 2.426 1.00 51.12 O ATOM 1636 CB LYS A 111 -13.532 -2.258 3.104 1.00 14.22 C ATOM 1637 CG LYS A 111 -13.892 -3.708 3.375 1.00 71.43 C ATOM 1638 CD LYS A 111 -14.565 -3.871 4.729 1.00 1.10 C ATOM 1639 CE LYS A 111 -15.959 -4.466 4.590 1.00 35.03 C ATOM 1640 NZ LYS A 111 -16.791 -4.214 5.799 1.00 23.12 N ATOM 0 HA LYS A 111 -12.287 -2.370 4.855 1.00 44.03 H new ATOM 0 HB2 LYS A 111 -14.411 -1.636 3.275 1.00 14.22 H new ATOM 0 HB3 LYS A 111 -13.264 -2.149 2.053 1.00 14.22 H new ATOM 0 HG2 LYS A 111 -14.556 -4.072 2.591 1.00 71.43 H new ATOM 0 HG3 LYS A 111 -12.991 -4.321 3.339 1.00 71.43 H new ATOM 0 HD2 LYS A 111 -13.956 -4.513 5.365 1.00 1.10 H new ATOM 0 HD3 LYS A 111 -14.629 -2.902 5.224 1.00 1.10 H new ATOM 0 HE2 LYS A 111 -16.450 -4.040 3.715 1.00 35.03 H new ATOM 0 HE3 LYS A 111 -15.881 -5.540 4.420 1.00 35.03 H new ATOM 0 HZ1 LYS A 111 -17.733 -4.634 5.666 1.00 23.12 H new ATOM 0 HZ2 LYS A 111 -16.335 -4.642 6.630 1.00 23.12 H new ATOM 0 HZ3 LYS A 111 -16.887 -3.189 5.947 1.00 23.12 H new ATOM 1650 N VAL A 112 -10.330 -2.897 3.378 1.00 31.14 N ATOM 1651 CA VAL A 112 -9.060 -3.087 2.689 1.00 3.24 C ATOM 1652 C VAL A 112 -9.222 -2.921 1.182 1.00 30.14 C ATOM 1653 O VAL A 112 -10.338 -2.920 0.664 1.00 31.00 O ATOM 1654 CB VAL A 112 -8.464 -4.478 2.980 1.00 61.33 C ATOM 1655 CG1 VAL A 112 -8.312 -4.690 4.478 1.00 73.41 C ATOM 1656 CG2 VAL A 112 -9.331 -5.566 2.365 1.00 65.11 C ATOM 0 H VAL A 112 -10.587 -3.659 4.005 1.00 31.14 H new ATOM 0 HA VAL A 112 -8.380 -2.323 3.065 1.00 3.24 H new ATOM 0 HB VAL A 112 -7.474 -4.533 2.527 1.00 61.33 H new ATOM 0 HG11 VAL A 112 -7.890 -5.677 4.665 1.00 73.41 H new ATOM 0 HG12 VAL A 112 -7.649 -3.928 4.888 1.00 73.41 H new ATOM 0 HG13 VAL A 112 -9.288 -4.616 4.957 1.00 73.41 H new ATOM 0 HG21 VAL A 112 -8.896 -6.542 2.580 1.00 65.11 H new ATOM 0 HG22 VAL A 112 -10.334 -5.514 2.788 1.00 65.11 H new ATOM 0 HG23 VAL A 112 -9.385 -5.422 1.286 1.00 65.11 H new ATOM 1666 N PHE A 113 -8.100 -2.782 0.484 1.00 51.24 N ATOM 1667 CA PHE A 113 -8.117 -2.614 -0.964 1.00 41.21 C ATOM 1668 C PHE A 113 -7.770 -3.924 -1.668 1.00 35.14 C ATOM 1669 O PHE A 113 -6.741 -4.537 -1.384 1.00 44.21 O ATOM 1670 CB PHE A 113 -7.134 -1.520 -1.384 1.00 0.52 C ATOM 1671 CG PHE A 113 -7.802 -0.239 -1.794 1.00 12.45 C ATOM 1672 CD1 PHE A 113 -8.823 0.301 -1.029 1.00 70.31 C ATOM 1673 CD2 PHE A 113 -7.407 0.427 -2.944 1.00 61.23 C ATOM 1674 CE1 PHE A 113 -9.439 1.480 -1.402 1.00 71.41 C ATOM 1675 CE2 PHE A 113 -8.020 1.607 -3.322 1.00 13.52 C ATOM 1676 CZ PHE A 113 -9.038 2.133 -2.550 1.00 51.13 C ATOM 0 H PHE A 113 -7.168 -2.782 0.898 1.00 51.24 H new ATOM 0 HA PHE A 113 -9.124 -2.319 -1.258 1.00 41.21 H new ATOM 0 HB2 PHE A 113 -6.454 -1.317 -0.557 1.00 0.52 H new ATOM 0 HB3 PHE A 113 -6.528 -1.886 -2.213 1.00 0.52 H new ATOM 0 HD1 PHE A 113 -9.141 -0.206 -0.130 1.00 70.31 H new ATOM 0 HD2 PHE A 113 -6.612 0.020 -3.551 1.00 61.23 H new ATOM 0 HE1 PHE A 113 -10.233 1.890 -0.796 1.00 71.41 H new ATOM 0 HE2 PHE A 113 -7.704 2.117 -4.220 1.00 13.52 H new ATOM 0 HZ PHE A 113 -9.519 3.054 -2.844 1.00 51.13 H new ATOM 1685 N GLN A 114 -8.635 -4.344 -2.585 1.00 32.23 N ATOM 1686 CA GLN A 114 -8.420 -5.580 -3.327 1.00 64.21 C ATOM 1687 C GLN A 114 -7.635 -5.317 -4.607 1.00 15.14 C ATOM 1688 O GLN A 114 -7.824 -4.295 -5.265 1.00 34.21 O ATOM 1689 CB GLN A 114 -9.760 -6.237 -3.663 1.00 21.23 C ATOM 1690 CG GLN A 114 -10.741 -5.302 -4.351 1.00 52.10 C ATOM 1691 CD GLN A 114 -12.033 -5.138 -3.575 1.00 54.40 C ATOM 1692 OE1 GLN A 114 -13.124 -5.281 -4.127 1.00 32.52 O ATOM 1693 NE2 GLN A 114 -11.917 -4.835 -2.287 1.00 14.22 N ATOM 0 H GLN A 114 -9.491 -3.847 -2.832 1.00 32.23 H new ATOM 0 HA GLN A 114 -7.839 -6.255 -2.699 1.00 64.21 H new ATOM 0 HB2 GLN A 114 -9.581 -7.099 -4.305 1.00 21.23 H new ATOM 0 HB3 GLN A 114 -10.212 -6.612 -2.745 1.00 21.23 H new ATOM 0 HG2 GLN A 114 -10.275 -4.326 -4.483 1.00 52.10 H new ATOM 0 HG3 GLN A 114 -10.966 -5.686 -5.346 1.00 52.10 H new ATOM 0 HE21 GLN A 114 -10.993 -4.726 -1.870 1.00 14.22 H new ATOM 0 HE22 GLN A 114 -12.752 -4.712 -1.715 1.00 14.22 H new ATOM 1700 N GLY A 115 -6.750 -6.247 -4.955 1.00 21.23 N ATOM 1701 CA GLY A 115 -5.949 -6.097 -6.155 1.00 11.42 C ATOM 1702 C GLY A 115 -6.447 -6.959 -7.297 1.00 62.12 C ATOM 1703 O GLY A 115 -7.647 -7.012 -7.566 1.00 23.54 O ATOM 0 H GLY A 115 -6.574 -7.102 -4.427 1.00 21.23 H new ATOM 0 HA2 GLY A 115 -5.955 -5.052 -6.464 1.00 11.42 H new ATOM 0 HA3 GLY A 115 -4.914 -6.357 -5.932 1.00 11.42 H new ATOM 1707 N ASN A 116 -5.524 -7.635 -7.974 1.00 33.03 N ATOM 1708 CA ASN A 116 -5.877 -8.497 -9.096 1.00 32.44 C ATOM 1709 C ASN A 116 -5.212 -9.864 -8.961 1.00 11.10 C ATOM 1710 O ASN A 116 -4.652 -10.194 -7.915 1.00 1.42 O ATOM 1711 CB ASN A 116 -5.465 -7.845 -10.417 1.00 0.04 C ATOM 1712 CG ASN A 116 -6.603 -7.795 -11.417 1.00 74.31 C ATOM 1713 OD1 ASN A 116 -7.724 -7.413 -11.080 1.00 53.01 O ATOM 1714 ND2 ASN A 116 -6.320 -8.181 -12.656 1.00 70.31 N ATOM 0 H ASN A 116 -4.526 -7.602 -7.765 1.00 33.03 H new ATOM 0 HA ASN A 116 -6.958 -8.636 -9.089 1.00 32.44 H new ATOM 0 HB2 ASN A 116 -5.110 -6.833 -10.224 1.00 0.04 H new ATOM 0 HB3 ASN A 116 -4.631 -8.399 -10.848 1.00 0.04 H new ATOM 0 HD21 ASN A 116 -7.046 -8.168 -13.373 1.00 70.31 H new ATOM 0 HD22 ASN A 116 -5.377 -8.490 -12.891 1.00 70.31 H new ATOM 1720 N LEU A 117 -5.277 -10.655 -10.026 1.00 65.55 N ATOM 1721 CA LEU A 117 -4.681 -11.986 -10.029 1.00 63.43 C ATOM 1722 C LEU A 117 -3.641 -12.115 -11.137 1.00 23.45 C ATOM 1723 O LEU A 117 -3.481 -13.183 -11.730 1.00 14.51 O ATOM 1724 CB LEU A 117 -5.764 -13.052 -10.204 1.00 71.25 C ATOM 1725 CG LEU A 117 -6.875 -13.059 -9.153 1.00 60.42 C ATOM 1726 CD1 LEU A 117 -8.061 -13.880 -9.635 1.00 65.23 C ATOM 1727 CD2 LEU A 117 -6.353 -13.599 -7.829 1.00 52.22 C ATOM 0 H LEU A 117 -5.737 -10.397 -10.899 1.00 65.55 H new ATOM 0 HA LEU A 117 -4.184 -12.136 -9.070 1.00 63.43 H new ATOM 0 HB2 LEU A 117 -6.220 -12.920 -11.185 1.00 71.25 H new ATOM 0 HB3 LEU A 117 -5.285 -14.031 -10.204 1.00 71.25 H new ATOM 0 HG LEU A 117 -7.209 -12.033 -8.998 1.00 60.42 H new ATOM 0 HD11 LEU A 117 -8.841 -13.873 -8.874 1.00 65.23 H new ATOM 0 HD12 LEU A 117 -8.450 -13.450 -10.558 1.00 65.23 H new ATOM 0 HD13 LEU A 117 -7.742 -14.906 -9.819 1.00 65.23 H new ATOM 0 HD21 LEU A 117 -7.157 -13.597 -7.093 1.00 52.22 H new ATOM 0 HD22 LEU A 117 -5.992 -14.618 -7.969 1.00 52.22 H new ATOM 0 HD23 LEU A 117 -5.536 -12.970 -7.476 1.00 52.22 H new ATOM 1738 N ASP A 118 -2.937 -11.023 -11.409 1.00 13.54 N ATOM 1739 CA ASP A 118 -1.908 -11.015 -12.444 1.00 43.24 C ATOM 1740 C ASP A 118 -0.593 -10.468 -11.899 1.00 32.02 C ATOM 1741 O ASP A 118 -0.530 -9.337 -11.419 1.00 73.53 O ATOM 1742 CB ASP A 118 -2.366 -10.179 -13.640 1.00 54.42 C ATOM 1743 CG ASP A 118 -3.704 -10.634 -14.187 1.00 14.10 C ATOM 1744 OD1 ASP A 118 -3.805 -11.805 -14.611 1.00 71.45 O ATOM 1745 OD2 ASP A 118 -4.651 -9.820 -14.191 1.00 64.44 O ATOM 0 H ASP A 118 -3.059 -10.132 -10.928 1.00 13.54 H new ATOM 0 HA ASP A 118 -1.746 -12.043 -12.769 1.00 43.24 H new ATOM 0 HB2 ASP A 118 -2.435 -9.133 -13.343 1.00 54.42 H new ATOM 0 HB3 ASP A 118 -1.616 -10.237 -14.429 1.00 54.42 H new ATOM 1749 N ASN A 119 0.457 -11.280 -11.976 1.00 74.22 N ATOM 1750 CA ASN A 119 1.772 -10.878 -11.488 1.00 62.14 C ATOM 1751 C ASN A 119 2.497 -10.025 -12.523 1.00 3.33 C ATOM 1752 O ASN A 119 3.417 -9.278 -12.192 1.00 33.31 O ATOM 1753 CB ASN A 119 2.611 -12.111 -11.148 1.00 71.31 C ATOM 1754 CG ASN A 119 3.289 -12.705 -12.367 1.00 51.05 C ATOM 1755 OD1 ASN A 119 2.751 -13.603 -13.014 1.00 3.12 O ATOM 1756 ND2 ASN A 119 4.476 -12.203 -12.687 1.00 44.44 N ATOM 0 H ASN A 119 0.423 -12.220 -12.371 1.00 74.22 H new ATOM 0 HA ASN A 119 1.632 -10.283 -10.586 1.00 62.14 H new ATOM 0 HB2 ASN A 119 3.367 -11.840 -10.411 1.00 71.31 H new ATOM 0 HB3 ASN A 119 1.973 -12.865 -10.687 1.00 71.31 H new ATOM 0 HD21 ASN A 119 4.980 -12.562 -13.498 1.00 44.44 H new ATOM 0 HD22 ASN A 119 4.884 -11.459 -12.122 1.00 44.44 H new ATOM 1762 N ASN A 120 2.077 -10.142 -13.779 1.00 13.15 N ATOM 1763 CA ASN A 120 2.689 -9.381 -14.863 1.00 62.25 C ATOM 1764 C ASN A 120 2.077 -7.987 -14.960 1.00 3.31 C ATOM 1765 O ASN A 120 2.769 -6.982 -14.801 1.00 31.22 O ATOM 1766 CB ASN A 120 2.516 -10.120 -16.192 1.00 14.21 C ATOM 1767 CG ASN A 120 2.647 -11.623 -16.039 1.00 62.41 C ATOM 1768 OD1 ASN A 120 3.504 -12.112 -15.304 1.00 10.33 O ATOM 1769 ND2 ASN A 120 1.792 -12.365 -16.734 1.00 2.41 N ATOM 0 H ASN A 120 1.316 -10.756 -14.071 1.00 13.15 H new ATOM 0 HA ASN A 120 3.753 -9.278 -14.648 1.00 62.25 H new ATOM 0 HB2 ASN A 120 1.538 -9.884 -16.611 1.00 14.21 H new ATOM 0 HB3 ASN A 120 3.262 -9.763 -16.903 1.00 14.21 H new ATOM 0 HD21 ASN A 120 1.830 -13.382 -16.670 1.00 2.41 H new ATOM 0 HD22 ASN A 120 1.097 -11.917 -17.332 1.00 2.41 H new ATOM 1775 N SER A 121 0.775 -7.935 -15.224 1.00 53.23 N ATOM 1776 CA SER A 121 0.071 -6.664 -15.346 1.00 13.30 C ATOM 1777 C SER A 121 0.350 -5.769 -14.142 1.00 25.12 C ATOM 1778 O SER A 121 0.088 -6.147 -13.000 1.00 15.22 O ATOM 1779 CB SER A 121 -1.434 -6.902 -15.480 1.00 71.43 C ATOM 1780 OG SER A 121 -2.047 -7.025 -14.208 1.00 13.14 O ATOM 0 H SER A 121 0.187 -8.758 -15.357 1.00 53.23 H new ATOM 0 HA SER A 121 0.434 -6.161 -16.242 1.00 13.30 H new ATOM 0 HB2 SER A 121 -1.888 -6.076 -16.028 1.00 71.43 H new ATOM 0 HB3 SER A 121 -1.612 -7.807 -16.062 1.00 71.43 H new ATOM 0 HG SER A 121 -1.356 -7.088 -13.516 1.00 13.14 H new ATOM 1785 N HIS A 122 0.885 -4.581 -14.407 1.00 32.32 N ATOM 1786 CA HIS A 122 1.200 -3.632 -13.346 1.00 54.30 C ATOM 1787 C HIS A 122 0.180 -2.498 -13.310 1.00 1.33 C ATOM 1788 O HIS A 122 -0.136 -1.901 -14.339 1.00 70.43 O ATOM 1789 CB HIS A 122 2.606 -3.062 -13.543 1.00 22.41 C ATOM 1790 CG HIS A 122 2.678 -1.995 -14.591 1.00 14.03 C ATOM 1791 ND1 HIS A 122 2.047 -2.095 -15.812 1.00 63.42 N ATOM 1792 CD2 HIS A 122 3.311 -0.798 -14.593 1.00 24.33 C ATOM 1793 CE1 HIS A 122 2.290 -1.008 -16.522 1.00 51.04 C ATOM 1794 NE2 HIS A 122 3.053 -0.204 -15.804 1.00 4.54 N ATOM 0 H HIS A 122 1.109 -4.253 -15.347 1.00 32.32 H new ATOM 0 HA HIS A 122 1.161 -4.163 -12.395 1.00 54.30 H new ATOM 0 HB2 HIS A 122 2.960 -2.654 -12.596 1.00 22.41 H new ATOM 0 HB3 HIS A 122 3.283 -3.872 -13.814 1.00 22.41 H new ATOM 0 HD2 HIS A 122 3.907 -0.387 -13.792 1.00 24.33 H new ATOM 0 HE1 HIS A 122 1.927 -0.810 -17.520 1.00 51.04 H new ATOM 0 HE2 HIS A 122 3.395 0.710 -16.101 1.00 4.54 H new ATOM 1801 N LYS A 123 -0.332 -2.207 -12.119 1.00 3.22 N ATOM 1802 CA LYS A 123 -1.316 -1.145 -11.948 1.00 62.33 C ATOM 1803 C LYS A 123 -1.830 -1.106 -10.513 1.00 72.23 C ATOM 1804 O LYS A 123 -1.482 -1.957 -9.693 1.00 41.43 O ATOM 1805 CB LYS A 123 -2.486 -1.345 -12.914 1.00 44.40 C ATOM 1806 CG LYS A 123 -2.669 -0.198 -13.893 1.00 43.31 C ATOM 1807 CD LYS A 123 -2.897 -0.703 -15.308 1.00 13.03 C ATOM 1808 CE LYS A 123 -4.181 -1.512 -15.411 1.00 0.11 C ATOM 1809 NZ LYS A 123 -4.930 -1.206 -16.661 1.00 3.31 N ATOM 0 H LYS A 123 -0.082 -2.692 -11.257 1.00 3.22 H new ATOM 0 HA LYS A 123 -0.830 -0.195 -12.168 1.00 62.33 H new ATOM 0 HB2 LYS A 123 -2.331 -2.268 -13.473 1.00 44.40 H new ATOM 0 HB3 LYS A 123 -3.403 -1.471 -12.339 1.00 44.40 H new ATOM 0 HG2 LYS A 123 -3.516 0.414 -13.583 1.00 43.31 H new ATOM 0 HG3 LYS A 123 -1.788 0.443 -13.872 1.00 43.31 H new ATOM 0 HD2 LYS A 123 -2.942 0.143 -15.994 1.00 13.03 H new ATOM 0 HD3 LYS A 123 -2.052 -1.319 -15.616 1.00 13.03 H new ATOM 0 HE2 LYS A 123 -3.944 -2.575 -15.381 1.00 0.11 H new ATOM 0 HE3 LYS A 123 -4.813 -1.302 -14.548 1.00 0.11 H new ATOM 0 HZ1 LYS A 123 -5.798 -1.777 -16.694 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -5.179 -0.196 -16.678 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -4.337 -1.430 -17.485 1.00 3.31 H new ATOM 1819 N LYS A 124 -2.663 -0.114 -10.214 1.00 31.25 N ATOM 1820 CA LYS A 124 -3.228 0.035 -8.878 1.00 11.43 C ATOM 1821 C LYS A 124 -4.284 1.135 -8.854 1.00 52.03 C ATOM 1822 O LYS A 124 -5.478 0.859 -8.746 1.00 60.12 O ATOM 1823 CB LYS A 124 -2.124 0.352 -7.867 1.00 14.51 C ATOM 1824 CG LYS A 124 -2.241 -0.432 -6.572 1.00 61.21 C ATOM 1825 CD LYS A 124 -3.647 -0.356 -6.000 1.00 52.14 C ATOM 1826 CE LYS A 124 -4.414 -1.649 -6.231 1.00 72.01 C ATOM 1827 NZ LYS A 124 -5.429 -1.890 -5.169 1.00 33.32 N ATOM 0 H LYS A 124 -2.962 0.599 -10.880 1.00 31.25 H new ATOM 0 HA LYS A 124 -3.703 -0.907 -8.605 1.00 11.43 H new ATOM 0 HB2 LYS A 124 -1.156 0.143 -8.322 1.00 14.51 H new ATOM 0 HB3 LYS A 124 -2.146 1.418 -7.640 1.00 14.51 H new ATOM 0 HG2 LYS A 124 -1.976 -1.474 -6.751 1.00 61.21 H new ATOM 0 HG3 LYS A 124 -1.529 -0.042 -5.844 1.00 61.21 H new ATOM 0 HD2 LYS A 124 -3.595 -0.149 -4.931 1.00 52.14 H new ATOM 0 HD3 LYS A 124 -4.184 0.474 -6.460 1.00 52.14 H new ATOM 0 HE2 LYS A 124 -4.907 -1.610 -7.202 1.00 72.01 H new ATOM 0 HE3 LYS A 124 -3.715 -2.485 -6.262 1.00 72.01 H new ATOM 0 HZ1 LYS A 124 -5.976 -2.744 -5.399 1.00 33.32 H new ATOM 0 HZ2 LYS A 124 -4.951 -2.020 -4.255 1.00 33.32 H new ATOM 0 HZ3 LYS A 124 -6.071 -1.074 -5.111 1.00 33.32 H new ATOM 1837 N ASN A 125 -3.837 2.382 -8.958 1.00 32.24 N ATOM 1838 CA ASN A 125 -4.744 3.524 -8.948 1.00 62.42 C ATOM 1839 C ASN A 125 -4.116 4.723 -9.651 1.00 73.34 C ATOM 1840 O ASN A 125 -2.895 4.816 -9.770 1.00 14.02 O ATOM 1841 CB ASN A 125 -5.114 3.896 -7.511 1.00 64.13 C ATOM 1842 CG ASN A 125 -6.424 4.657 -7.430 1.00 55.41 C ATOM 1843 OD1 ASN A 125 -6.465 5.795 -6.958 1.00 23.30 O ATOM 1844 ND2 ASN A 125 -7.501 4.033 -7.891 1.00 12.51 N ATOM 0 H ASN A 125 -2.851 2.628 -9.050 1.00 32.24 H new ATOM 0 HA ASN A 125 -5.649 3.243 -9.487 1.00 62.42 H new ATOM 0 HB2 ASN A 125 -5.186 2.989 -6.911 1.00 64.13 H new ATOM 0 HB3 ASN A 125 -4.318 4.502 -7.079 1.00 64.13 H new ATOM 0 HD21 ASN A 125 -8.410 4.496 -7.863 1.00 12.51 H new ATOM 0 HD22 ASN A 125 -7.420 3.091 -8.273 1.00 12.51 H new ATOM 1850 N ILE A 126 -4.961 5.640 -10.114 1.00 2.15 N ATOM 1851 CA ILE A 126 -4.489 6.834 -10.803 1.00 52.02 C ATOM 1852 C ILE A 126 -4.437 8.029 -9.858 1.00 70.45 C ATOM 1853 O ILE A 126 -4.608 7.885 -8.647 1.00 2.23 O ATOM 1854 CB ILE A 126 -5.386 7.182 -12.005 1.00 61.35 C ATOM 1855 CG1 ILE A 126 -4.558 7.830 -13.117 1.00 70.55 C ATOM 1856 CG2 ILE A 126 -6.517 8.105 -11.573 1.00 30.45 C ATOM 1857 CD1 ILE A 126 -4.425 6.968 -14.352 1.00 61.21 C ATOM 0 H ILE A 126 -5.975 5.578 -10.024 1.00 2.15 H new ATOM 0 HA ILE A 126 -3.484 6.614 -11.163 1.00 52.02 H new ATOM 0 HB ILE A 126 -5.822 6.261 -12.392 1.00 61.35 H new ATOM 0 HG12 ILE A 126 -5.017 8.779 -13.394 1.00 70.55 H new ATOM 0 HG13 ILE A 126 -3.563 8.057 -12.733 1.00 70.55 H new ATOM 0 HG21 ILE A 126 -7.142 8.342 -12.434 1.00 30.45 H new ATOM 0 HG22 ILE A 126 -7.120 7.610 -10.812 1.00 30.45 H new ATOM 0 HG23 ILE A 126 -6.100 9.025 -11.164 1.00 30.45 H new ATOM 0 HD11 ILE A 126 -3.826 7.491 -15.098 1.00 61.21 H new ATOM 0 HD12 ILE A 126 -3.939 6.029 -14.089 1.00 61.21 H new ATOM 0 HD13 ILE A 126 -5.414 6.762 -14.761 1.00 61.21 H new ATOM 1868 N PHE A 127 -4.203 9.211 -10.420 1.00 33.34 N ATOM 1869 CA PHE A 127 -4.130 10.433 -9.627 1.00 70.31 C ATOM 1870 C PHE A 127 -5.505 10.815 -9.088 1.00 60.52 C ATOM 1871 O PHE A 127 -6.047 11.865 -9.428 1.00 53.33 O ATOM 1872 CB PHE A 127 -3.563 11.578 -10.469 1.00 71.33 C ATOM 1873 CG PHE A 127 -4.337 11.835 -11.730 1.00 31.32 C ATOM 1874 CD1 PHE A 127 -4.113 11.071 -12.864 1.00 20.04 C ATOM 1875 CD2 PHE A 127 -5.290 12.840 -11.783 1.00 34.43 C ATOM 1876 CE1 PHE A 127 -4.822 11.305 -14.025 1.00 43.24 C ATOM 1877 CE2 PHE A 127 -6.003 13.079 -12.942 1.00 34.24 C ATOM 1878 CZ PHE A 127 -5.770 12.310 -14.065 1.00 21.04 C ATOM 0 H PHE A 127 -4.061 9.348 -11.421 1.00 33.34 H new ATOM 0 HA PHE A 127 -3.467 10.249 -8.782 1.00 70.31 H new ATOM 0 HB2 PHE A 127 -3.550 12.488 -9.869 1.00 71.33 H new ATOM 0 HB3 PHE A 127 -2.529 11.351 -10.727 1.00 71.33 H new ATOM 0 HD1 PHE A 127 -3.375 10.283 -12.839 1.00 20.04 H new ATOM 0 HD2 PHE A 127 -5.478 13.444 -10.907 1.00 34.43 H new ATOM 0 HE1 PHE A 127 -4.636 10.703 -14.902 1.00 43.24 H new ATOM 0 HE2 PHE A 127 -6.742 13.866 -12.970 1.00 34.24 H new ATOM 0 HZ PHE A 127 -6.327 12.493 -14.972 1.00 21.04 H new ATOM 1887 N GLU A 128 -6.065 9.952 -8.245 1.00 44.02 N ATOM 1888 CA GLU A 128 -7.378 10.198 -7.660 1.00 3.11 C ATOM 1889 C GLU A 128 -7.254 10.978 -6.354 1.00 64.04 C ATOM 1890 O GLU A 128 -7.254 10.398 -5.268 1.00 45.24 O ATOM 1891 CB GLU A 128 -8.105 8.875 -7.410 1.00 40.33 C ATOM 1892 CG GLU A 128 -9.618 9.012 -7.362 1.00 3.31 C ATOM 1893 CD GLU A 128 -10.283 7.873 -6.614 1.00 31.22 C ATOM 1894 OE1 GLU A 128 -10.281 7.903 -5.366 1.00 35.40 O ATOM 1895 OE2 GLU A 128 -10.805 6.953 -7.276 1.00 63.12 O ATOM 0 H GLU A 128 -5.630 9.077 -7.952 1.00 44.02 H new ATOM 0 HA GLU A 128 -7.956 10.794 -8.366 1.00 3.11 H new ATOM 0 HB2 GLU A 128 -7.837 8.169 -8.196 1.00 40.33 H new ATOM 0 HB3 GLU A 128 -7.757 8.451 -6.468 1.00 40.33 H new ATOM 0 HG2 GLU A 128 -9.879 9.957 -6.885 1.00 3.31 H new ATOM 0 HG3 GLU A 128 -10.008 9.051 -8.379 1.00 3.31 H new ATOM 1900 N LYS A 129 -7.148 12.298 -6.469 1.00 24.25 N ATOM 1901 CA LYS A 129 -7.024 13.159 -5.300 1.00 35.12 C ATOM 1902 C LYS A 129 -5.657 12.992 -4.643 1.00 11.00 C ATOM 1903 O LYS A 129 -5.490 12.237 -3.685 1.00 71.33 O ATOM 1904 CB LYS A 129 -8.129 12.845 -4.288 1.00 42.32 C ATOM 1905 CG LYS A 129 -9.483 12.590 -4.928 1.00 44.02 C ATOM 1906 CD LYS A 129 -10.598 13.294 -4.173 1.00 2.31 C ATOM 1907 CE LYS A 129 -11.960 12.714 -4.523 1.00 33.43 C ATOM 1908 NZ LYS A 129 -13.015 13.167 -3.573 1.00 4.12 N ATOM 0 H LYS A 129 -7.146 12.794 -7.360 1.00 24.25 H new ATOM 0 HA LYS A 129 -7.126 14.193 -5.630 1.00 35.12 H new ATOM 0 HB2 LYS A 129 -7.840 11.969 -3.707 1.00 42.32 H new ATOM 0 HB3 LYS A 129 -8.217 13.677 -3.589 1.00 42.32 H new ATOM 0 HG2 LYS A 129 -9.468 12.935 -5.962 1.00 44.02 H new ATOM 0 HG3 LYS A 129 -9.679 11.518 -4.952 1.00 44.02 H new ATOM 0 HD2 LYS A 129 -10.427 13.202 -3.100 1.00 2.31 H new ATOM 0 HD3 LYS A 129 -10.583 14.358 -4.408 1.00 2.31 H new ATOM 0 HE2 LYS A 129 -12.232 13.010 -5.536 1.00 33.43 H new ATOM 0 HE3 LYS A 129 -11.905 11.625 -4.513 1.00 33.43 H new ATOM 0 HZ1 LYS A 129 -13.929 12.751 -3.845 1.00 4.12 H new ATOM 0 HZ2 LYS A 129 -12.769 12.863 -2.610 1.00 4.12 H new ATOM 0 HZ3 LYS A 129 -13.085 14.204 -3.601 1.00 4.12 H new ATOM 1918 N PRO A 130 -4.655 13.713 -5.167 1.00 1.21 N ATOM 1919 CA PRO A 130 -3.287 13.663 -4.645 1.00 12.44 C ATOM 1920 C PRO A 130 -3.165 14.313 -3.271 1.00 10.10 C ATOM 1921 O PRO A 130 -4.086 14.986 -2.809 1.00 61.23 O ATOM 1922 CB PRO A 130 -2.482 14.451 -5.682 1.00 51.02 C ATOM 1923 CG PRO A 130 -3.471 15.372 -6.309 1.00 42.03 C ATOM 1924 CD PRO A 130 -4.782 14.634 -6.309 1.00 2.50 C ATOM 0 HA PRO A 130 -2.942 12.638 -4.506 1.00 12.44 H new ATOM 0 HB2 PRO A 130 -1.667 15.004 -5.214 1.00 51.02 H new ATOM 0 HB3 PRO A 130 -2.034 13.788 -6.422 1.00 51.02 H new ATOM 0 HG2 PRO A 130 -3.547 16.303 -5.748 1.00 42.03 H new ATOM 0 HG3 PRO A 130 -3.171 15.635 -7.323 1.00 42.03 H new ATOM 0 HD2 PRO A 130 -5.625 15.313 -6.186 1.00 2.50 H new ATOM 0 HD3 PRO A 130 -4.940 14.096 -7.244 1.00 2.50 H new ATOM 1929 N PHE A 131 -2.023 14.108 -2.623 1.00 40.43 N ATOM 1930 CA PHE A 131 -1.782 14.674 -1.301 1.00 11.25 C ATOM 1931 C PHE A 131 -0.357 14.386 -0.838 1.00 52.11 C ATOM 1932 O PHE A 131 0.270 13.425 -1.284 1.00 63.10 O ATOM 1933 CB PHE A 131 -2.782 14.108 -0.291 1.00 73.32 C ATOM 1934 CG PHE A 131 -3.414 15.158 0.578 1.00 12.33 C ATOM 1935 CD1 PHE A 131 -2.792 15.577 1.744 1.00 42.20 C ATOM 1936 CD2 PHE A 131 -4.629 15.726 0.230 1.00 13.12 C ATOM 1937 CE1 PHE A 131 -3.372 16.541 2.546 1.00 53.54 C ATOM 1938 CE2 PHE A 131 -5.213 16.692 1.028 1.00 10.13 C ATOM 1939 CZ PHE A 131 -4.583 17.101 2.187 1.00 21.15 C ATOM 0 H PHE A 131 -1.250 13.554 -2.992 1.00 40.43 H new ATOM 0 HA PHE A 131 -1.913 15.754 -1.366 1.00 11.25 H new ATOM 0 HB2 PHE A 131 -3.565 13.572 -0.828 1.00 73.32 H new ATOM 0 HB3 PHE A 131 -2.275 13.380 0.342 1.00 73.32 H new ATOM 0 HD1 PHE A 131 -1.844 15.145 2.028 1.00 42.20 H new ATOM 0 HD2 PHE A 131 -5.126 15.410 -0.676 1.00 13.12 H new ATOM 0 HE1 PHE A 131 -2.879 16.857 3.453 1.00 53.54 H new ATOM 0 HE2 PHE A 131 -6.161 17.126 0.746 1.00 10.13 H new ATOM 0 HZ PHE A 131 -5.036 17.857 2.811 1.00 21.15 H new ATOM 1948 N MET A 132 0.148 15.226 0.059 1.00 33.52 N ATOM 1949 CA MET A 132 1.499 15.061 0.584 1.00 52.04 C ATOM 1950 C MET A 132 1.620 13.766 1.379 1.00 44.02 C ATOM 1951 O MET A 132 0.638 13.270 1.928 1.00 65.54 O ATOM 1952 CB MET A 132 1.875 16.252 1.468 1.00 71.33 C ATOM 1953 CG MET A 132 0.891 16.502 2.600 1.00 41.31 C ATOM 1954 SD MET A 132 0.387 18.230 2.714 1.00 25.43 S ATOM 1955 CE MET A 132 -0.498 18.427 1.170 1.00 12.12 C ATOM 0 H MET A 132 -0.357 16.027 0.438 1.00 33.52 H new ATOM 0 HA MET A 132 2.186 15.013 -0.261 1.00 52.04 H new ATOM 0 HB2 MET A 132 2.866 16.083 1.889 1.00 71.33 H new ATOM 0 HB3 MET A 132 1.940 17.147 0.849 1.00 71.33 H new ATOM 0 HG2 MET A 132 0.009 15.879 2.453 1.00 41.31 H new ATOM 0 HG3 MET A 132 1.343 16.197 3.543 1.00 41.31 H new ATOM 0 HE1 MET A 132 -0.918 19.432 1.117 1.00 12.12 H new ATOM 0 HE2 MET A 132 0.187 18.276 0.336 1.00 12.12 H new ATOM 0 HE3 MET A 132 -1.303 17.694 1.116 1.00 12.12 H new ATOM 1963 N ALA A 133 2.832 13.221 1.434 1.00 63.41 N ATOM 1964 CA ALA A 133 3.080 11.984 2.163 1.00 1.32 C ATOM 1965 C ALA A 133 4.552 11.855 2.541 1.00 55.04 C ATOM 1966 O ALA A 133 5.433 12.299 1.804 1.00 34.40 O ATOM 1967 CB ALA A 133 2.640 10.786 1.334 1.00 41.20 C ATOM 0 H ALA A 133 3.656 13.617 0.982 1.00 63.41 H new ATOM 0 HA ALA A 133 2.496 12.010 3.083 1.00 1.32 H new ATOM 0 HB1 ALA A 133 2.831 9.868 1.891 1.00 41.20 H new ATOM 0 HB2 ALA A 133 1.574 10.864 1.118 1.00 41.20 H new ATOM 0 HB3 ALA A 133 3.199 10.766 0.398 1.00 41.20 H new ATOM 1973 N ARG A 134 4.811 11.247 3.694 1.00 74.11 N ATOM 1974 CA ARG A 134 6.176 11.064 4.171 1.00 24.22 C ATOM 1975 C ARG A 134 6.461 9.591 4.448 1.00 22.52 C ATOM 1976 O ARG A 134 7.597 9.133 4.321 1.00 73.10 O ATOM 1977 CB ARG A 134 6.412 11.886 5.439 1.00 73.45 C ATOM 1978 CG ARG A 134 7.795 12.513 5.510 1.00 62.42 C ATOM 1979 CD ARG A 134 8.445 12.274 6.864 1.00 54.25 C ATOM 1980 NE ARG A 134 8.758 10.865 7.080 1.00 4.23 N ATOM 1981 CZ ARG A 134 9.188 10.376 8.238 1.00 64.45 C ATOM 1982 NH1 ARG A 134 9.351 11.179 9.280 1.00 71.14 N ATOM 1983 NH2 ARG A 134 9.452 9.081 8.356 1.00 62.41 N ATOM 0 H ARG A 134 4.093 10.873 4.315 1.00 74.11 H new ATOM 0 HA ARG A 134 6.855 11.409 3.391 1.00 24.22 H new ATOM 0 HB2 ARG A 134 5.662 12.675 5.496 1.00 73.45 H new ATOM 0 HB3 ARG A 134 6.268 11.246 6.309 1.00 73.45 H new ATOM 0 HG2 ARG A 134 8.425 12.097 4.724 1.00 62.42 H new ATOM 0 HG3 ARG A 134 7.720 13.585 5.325 1.00 62.42 H new ATOM 0 HD2 ARG A 134 9.359 12.863 6.936 1.00 54.25 H new ATOM 0 HD3 ARG A 134 7.778 12.622 7.653 1.00 54.25 H new ATOM 0 HE ARG A 134 8.640 10.220 6.299 1.00 4.23 H new ATOM 0 HH11 ARG A 134 9.146 12.174 9.194 1.00 71.14 H new ATOM 0 HH12 ARG A 134 9.681 10.801 10.168 1.00 71.14 H new ATOM 0 HH21 ARG A 134 9.325 8.460 7.557 1.00 62.41 H new ATOM 0 HH22 ARG A 134 9.782 8.707 9.246 1.00 62.41 H new ATOM 1994 N TYR A 135 5.422 8.853 4.826 1.00 0.15 N ATOM 1995 CA TYR A 135 5.562 7.433 5.124 1.00 5.12 C ATOM 1996 C TYR A 135 4.208 6.730 5.075 1.00 53.13 C ATOM 1997 O TYR A 135 3.250 7.157 5.720 1.00 55.43 O ATOM 1998 CB TYR A 135 6.200 7.239 6.501 1.00 44.11 C ATOM 1999 CG TYR A 135 5.965 5.865 7.089 1.00 52.32 C ATOM 2000 CD1 TYR A 135 6.853 4.824 6.848 1.00 63.42 C ATOM 2001 CD2 TYR A 135 4.856 5.610 7.886 1.00 34.24 C ATOM 2002 CE1 TYR A 135 6.642 3.568 7.382 1.00 22.10 C ATOM 2003 CE2 TYR A 135 4.639 4.358 8.426 1.00 60.30 C ATOM 2004 CZ TYR A 135 5.533 3.340 8.171 1.00 31.11 C ATOM 2005 OH TYR A 135 5.320 2.090 8.707 1.00 55.21 O ATOM 0 H TYR A 135 4.474 9.215 4.933 1.00 0.15 H new ATOM 0 HA TYR A 135 6.209 6.991 4.366 1.00 5.12 H new ATOM 0 HB2 TYR A 135 7.273 7.413 6.423 1.00 44.11 H new ATOM 0 HB3 TYR A 135 5.804 7.990 7.185 1.00 44.11 H new ATOM 0 HD1 TYR A 135 7.723 5.000 6.233 1.00 63.42 H new ATOM 0 HD2 TYR A 135 4.152 6.404 8.086 1.00 34.24 H new ATOM 0 HE1 TYR A 135 7.341 2.769 7.183 1.00 22.10 H new ATOM 0 HE2 TYR A 135 3.773 4.177 9.045 1.00 60.30 H new ATOM 0 HH TYR A 135 4.496 2.098 9.238 1.00 55.21 H new ATOM 2014 N VAL A 136 4.137 5.650 4.305 1.00 23.44 N ATOM 2015 CA VAL A 136 2.903 4.885 4.171 1.00 34.30 C ATOM 2016 C VAL A 136 3.073 3.468 4.706 1.00 34.41 C ATOM 2017 O VAL A 136 4.172 2.915 4.690 1.00 14.51 O ATOM 2018 CB VAL A 136 2.441 4.816 2.704 1.00 42.51 C ATOM 2019 CG1 VAL A 136 2.519 6.189 2.054 1.00 35.24 C ATOM 2020 CG2 VAL A 136 3.273 3.804 1.932 1.00 4.42 C ATOM 0 H VAL A 136 4.920 5.284 3.764 1.00 23.44 H new ATOM 0 HA VAL A 136 2.145 5.403 4.759 1.00 34.30 H new ATOM 0 HB VAL A 136 1.401 4.490 2.683 1.00 42.51 H new ATOM 0 HG11 VAL A 136 2.189 6.120 1.018 1.00 35.24 H new ATOM 0 HG12 VAL A 136 1.877 6.884 2.594 1.00 35.24 H new ATOM 0 HG13 VAL A 136 3.548 6.548 2.084 1.00 35.24 H new ATOM 0 HG21 VAL A 136 2.933 3.768 0.897 1.00 4.42 H new ATOM 0 HG22 VAL A 136 4.322 4.099 1.960 1.00 4.42 H new ATOM 0 HG23 VAL A 136 3.161 2.819 2.385 1.00 4.42 H new ATOM 2030 N ARG A 137 1.977 2.884 5.181 1.00 54.13 N ATOM 2031 CA ARG A 137 2.005 1.532 5.722 1.00 21.32 C ATOM 2032 C ARG A 137 0.966 0.650 5.037 1.00 41.54 C ATOM 2033 O ARG A 137 -0.146 1.093 4.746 1.00 54.43 O ATOM 2034 CB ARG A 137 1.752 1.557 7.231 1.00 40.33 C ATOM 2035 CG ARG A 137 1.628 0.175 7.851 1.00 30.13 C ATOM 2036 CD ARG A 137 0.172 -0.219 8.046 1.00 24.14 C ATOM 2037 NE ARG A 137 -0.180 -0.331 9.459 1.00 24.13 N ATOM 2038 CZ ARG A 137 -1.431 -0.398 9.902 1.00 73.03 C ATOM 2039 NH1 ARG A 137 -2.443 -0.366 9.046 1.00 62.20 N ATOM 2040 NH2 ARG A 137 -1.671 -0.499 11.203 1.00 72.12 N ATOM 0 H ARG A 137 1.059 3.327 5.202 1.00 54.13 H new ATOM 0 HA ARG A 137 2.994 1.114 5.533 1.00 21.32 H new ATOM 0 HB2 ARG A 137 2.566 2.093 7.718 1.00 40.33 H new ATOM 0 HB3 ARG A 137 0.838 2.118 7.428 1.00 40.33 H new ATOM 0 HG2 ARG A 137 2.122 -0.557 7.212 1.00 30.13 H new ATOM 0 HG3 ARG A 137 2.142 0.158 8.812 1.00 30.13 H new ATOM 0 HD2 ARG A 137 -0.471 0.521 7.570 1.00 24.14 H new ATOM 0 HD3 ARG A 137 -0.016 -1.171 7.549 1.00 24.14 H new ATOM 0 HE ARG A 137 0.576 -0.359 10.143 1.00 24.13 H new ATOM 0 HH11 ARG A 137 -2.262 -0.290 8.045 1.00 62.20 H new ATOM 0 HH12 ARG A 137 -3.402 -0.418 9.388 1.00 62.20 H new ATOM 0 HH21 ARG A 137 -0.895 -0.525 11.864 1.00 72.12 H new ATOM 0 HH22 ARG A 137 -2.632 -0.550 11.542 1.00 72.12 H new ATOM 2051 N VAL A 138 1.335 -0.601 4.779 1.00 3.11 N ATOM 2052 CA VAL A 138 0.435 -1.545 4.127 1.00 22.15 C ATOM 2053 C VAL A 138 0.385 -2.868 4.884 1.00 51.23 C ATOM 2054 O VAL A 138 1.416 -3.398 5.298 1.00 33.24 O ATOM 2055 CB VAL A 138 0.862 -1.814 2.672 1.00 24.52 C ATOM 2056 CG1 VAL A 138 -0.198 -2.631 1.947 1.00 33.32 C ATOM 2057 CG2 VAL A 138 1.129 -0.505 1.945 1.00 64.11 C ATOM 0 H VAL A 138 2.251 -0.984 5.012 1.00 3.11 H new ATOM 0 HA VAL A 138 -0.556 -1.091 4.128 1.00 22.15 H new ATOM 0 HB VAL A 138 1.786 -2.391 2.683 1.00 24.52 H new ATOM 0 HG11 VAL A 138 0.121 -2.811 0.920 1.00 33.32 H new ATOM 0 HG12 VAL A 138 -0.335 -3.584 2.457 1.00 33.32 H new ATOM 0 HG13 VAL A 138 -1.140 -2.083 1.943 1.00 33.32 H new ATOM 0 HG21 VAL A 138 1.430 -0.714 0.918 1.00 64.11 H new ATOM 0 HG22 VAL A 138 0.223 0.101 1.942 1.00 64.11 H new ATOM 0 HG23 VAL A 138 1.926 0.037 2.453 1.00 64.11 H new ATOM 2067 N LEU A 139 -0.822 -3.396 5.061 1.00 0.52 N ATOM 2068 CA LEU A 139 -1.008 -4.659 5.768 1.00 3.40 C ATOM 2069 C LEU A 139 -1.907 -5.601 4.972 1.00 54.12 C ATOM 2070 O LEU A 139 -3.133 -5.503 5.006 1.00 75.31 O ATOM 2071 CB LEU A 139 -1.609 -4.407 7.152 1.00 44.42 C ATOM 2072 CG LEU A 139 -1.460 -5.543 8.164 1.00 62.04 C ATOM 2073 CD1 LEU A 139 -0.782 -5.043 9.430 1.00 34.42 C ATOM 2074 CD2 LEU A 139 -2.818 -6.150 8.487 1.00 34.22 C ATOM 0 H LEU A 139 -1.685 -2.970 4.725 1.00 0.52 H new ATOM 0 HA LEU A 139 -0.032 -5.131 5.884 1.00 3.40 H new ATOM 0 HB2 LEU A 139 -1.147 -3.512 7.569 1.00 44.42 H new ATOM 0 HB3 LEU A 139 -2.671 -4.191 7.032 1.00 44.42 H new ATOM 0 HG LEU A 139 -0.834 -6.318 7.723 1.00 62.04 H new ATOM 0 HD11 LEU A 139 -0.684 -5.865 10.139 1.00 34.42 H new ATOM 0 HD12 LEU A 139 0.207 -4.656 9.185 1.00 34.42 H new ATOM 0 HD13 LEU A 139 -1.382 -4.249 9.875 1.00 34.42 H new ATOM 0 HD21 LEU A 139 -2.693 -6.957 9.209 1.00 34.22 H new ATOM 0 HD22 LEU A 139 -3.468 -5.383 8.908 1.00 34.22 H new ATOM 0 HD23 LEU A 139 -3.266 -6.545 7.575 1.00 34.22 H new ATOM 2085 N PRO A 140 -1.284 -6.536 4.240 1.00 20.11 N ATOM 2086 CA PRO A 140 -2.009 -7.515 3.425 1.00 24.33 C ATOM 2087 C PRO A 140 -2.756 -8.537 4.275 1.00 71.22 C ATOM 2088 O PRO A 140 -2.273 -8.958 5.326 1.00 12.34 O ATOM 2089 CB PRO A 140 -0.900 -8.198 2.621 1.00 52.11 C ATOM 2090 CG PRO A 140 0.326 -8.031 3.449 1.00 33.43 C ATOM 2091 CD PRO A 140 0.175 -6.711 4.152 1.00 53.12 C ATOM 0 HA PRO A 140 -2.774 -7.044 2.808 1.00 24.33 H new ATOM 0 HB2 PRO A 140 -1.124 -9.251 2.453 1.00 52.11 H new ATOM 0 HB3 PRO A 140 -0.781 -7.737 1.640 1.00 52.11 H new ATOM 0 HG2 PRO A 140 0.426 -8.846 4.166 1.00 33.43 H new ATOM 0 HG3 PRO A 140 1.221 -8.042 2.827 1.00 33.43 H new ATOM 0 HD2 PRO A 140 0.638 -6.726 5.139 1.00 53.12 H new ATOM 0 HD3 PRO A 140 0.644 -5.902 3.592 1.00 53.12 H new ATOM 2096 N VAL A 141 -3.939 -8.933 3.814 1.00 21.14 N ATOM 2097 CA VAL A 141 -4.752 -9.908 4.532 1.00 52.32 C ATOM 2098 C VAL A 141 -5.070 -11.112 3.653 1.00 43.21 C ATOM 2099 O VAL A 141 -5.007 -12.256 4.102 1.00 1.04 O ATOM 2100 CB VAL A 141 -6.070 -9.283 5.025 1.00 62.31 C ATOM 2101 CG1 VAL A 141 -6.909 -10.318 5.761 1.00 13.12 C ATOM 2102 CG2 VAL A 141 -5.790 -8.081 5.914 1.00 51.22 C ATOM 0 H VAL A 141 -4.355 -8.594 2.947 1.00 21.14 H new ATOM 0 HA VAL A 141 -4.169 -10.235 5.393 1.00 52.32 H new ATOM 0 HB VAL A 141 -6.636 -8.941 4.159 1.00 62.31 H new ATOM 0 HG11 VAL A 141 -7.837 -9.858 6.102 1.00 13.12 H new ATOM 0 HG12 VAL A 141 -7.139 -11.144 5.089 1.00 13.12 H new ATOM 0 HG13 VAL A 141 -6.353 -10.693 6.620 1.00 13.12 H new ATOM 0 HG21 VAL A 141 -6.733 -7.652 6.253 1.00 51.22 H new ATOM 0 HG22 VAL A 141 -5.203 -8.396 6.777 1.00 51.22 H new ATOM 0 HG23 VAL A 141 -5.233 -7.333 5.350 1.00 51.22 H new ATOM 2112 N SER A 142 -5.413 -10.846 2.396 1.00 12.30 N ATOM 2113 CA SER A 142 -5.744 -11.908 1.453 1.00 43.32 C ATOM 2114 C SER A 142 -4.774 -11.912 0.276 1.00 40.31 C ATOM 2115 O SER A 142 -4.713 -10.954 -0.496 1.00 64.31 O ATOM 2116 CB SER A 142 -7.178 -11.740 0.946 1.00 73.31 C ATOM 2117 OG SER A 142 -8.034 -11.286 1.980 1.00 53.25 O ATOM 0 H SER A 142 -5.469 -9.905 2.008 1.00 12.30 H new ATOM 0 HA SER A 142 -5.659 -12.862 1.974 1.00 43.32 H new ATOM 0 HB2 SER A 142 -7.194 -11.031 0.119 1.00 73.31 H new ATOM 0 HB3 SER A 142 -7.544 -12.691 0.558 1.00 73.31 H new ATOM 0 HG SER A 142 -8.944 -11.185 1.631 1.00 53.25 H new ATOM 2122 N TRP A 143 -4.017 -12.995 0.145 1.00 11.34 N ATOM 2123 CA TRP A 143 -3.048 -13.124 -0.938 1.00 21.03 C ATOM 2124 C TRP A 143 -3.272 -14.417 -1.716 1.00 15.15 C ATOM 2125 O TRP A 143 -4.214 -15.161 -1.444 1.00 11.12 O ATOM 2126 CB TRP A 143 -1.624 -13.088 -0.382 1.00 10.41 C ATOM 2127 CG TRP A 143 -1.295 -14.263 0.489 1.00 3.41 C ATOM 2128 CD1 TRP A 143 -0.528 -15.343 0.153 1.00 72.52 C ATOM 2129 CD2 TRP A 143 -1.726 -14.477 1.837 1.00 60.22 C ATOM 2130 NE1 TRP A 143 -0.456 -16.214 1.213 1.00 24.11 N ATOM 2131 CE2 TRP A 143 -1.181 -15.706 2.258 1.00 61.44 C ATOM 2132 CE3 TRP A 143 -2.516 -13.750 2.730 1.00 33.01 C ATOM 2133 CZ2 TRP A 143 -1.405 -16.222 3.532 1.00 74.02 C ATOM 2134 CZ3 TRP A 143 -2.737 -14.262 3.995 1.00 62.12 C ATOM 2135 CH2 TRP A 143 -2.182 -15.488 4.386 1.00 73.33 C ATOM 0 H TRP A 143 -4.055 -13.797 0.775 1.00 11.34 H new ATOM 0 HA TRP A 143 -3.185 -12.284 -1.619 1.00 21.03 H new ATOM 0 HB2 TRP A 143 -0.919 -13.052 -1.212 1.00 10.41 H new ATOM 0 HB3 TRP A 143 -1.489 -12.171 0.191 1.00 10.41 H new ATOM 0 HD1 TRP A 143 -0.049 -15.490 -0.804 1.00 72.52 H new ATOM 0 HE1 TRP A 143 0.055 -17.097 1.221 1.00 24.11 H new ATOM 0 HE3 TRP A 143 -2.947 -12.804 2.437 1.00 33.01 H new ATOM 0 HZ2 TRP A 143 -0.981 -17.168 3.835 1.00 74.02 H new ATOM 0 HZ3 TRP A 143 -3.347 -13.708 4.693 1.00 62.12 H new ATOM 0 HH2 TRP A 143 -2.371 -15.861 5.382 1.00 73.33 H new ATOM 2145 N HIS A 144 -2.398 -14.678 -2.684 1.00 71.23 N ATOM 2146 CA HIS A 144 -2.500 -15.882 -3.500 1.00 1.30 C ATOM 2147 C HIS A 144 -1.133 -16.535 -3.679 1.00 14.00 C ATOM 2148 O HIS A 144 -0.193 -15.906 -4.164 1.00 24.41 O ATOM 2149 CB HIS A 144 -3.101 -15.547 -4.866 1.00 5.15 C ATOM 2150 CG HIS A 144 -4.408 -16.231 -5.129 1.00 20.22 C ATOM 2151 ND1 HIS A 144 -5.441 -16.255 -4.216 1.00 41.53 N ATOM 2152 CD2 HIS A 144 -4.846 -16.916 -6.210 1.00 41.03 C ATOM 2153 CE1 HIS A 144 -6.458 -16.926 -4.725 1.00 65.52 C ATOM 2154 NE2 HIS A 144 -6.124 -17.339 -5.934 1.00 42.54 N ATOM 0 H HIS A 144 -1.612 -14.072 -2.922 1.00 71.23 H new ATOM 0 HA HIS A 144 -3.154 -16.586 -2.985 1.00 1.30 H new ATOM 0 HB2 HIS A 144 -3.244 -14.469 -4.936 1.00 5.15 H new ATOM 0 HB3 HIS A 144 -2.391 -15.826 -5.645 1.00 5.15 H new ATOM 0 HD1 HIS A 144 -5.422 -15.822 -3.292 1.00 41.53 H new ATOM 0 HD2 HIS A 144 -4.294 -17.097 -7.121 1.00 41.03 H new ATOM 0 HE1 HIS A 144 -7.403 -17.107 -4.235 1.00 65.52 H new ATOM 2161 N ASN A 145 -1.030 -17.799 -3.283 1.00 12.02 N ATOM 2162 CA ASN A 145 0.223 -18.537 -3.398 1.00 75.02 C ATOM 2163 C ASN A 145 1.209 -18.105 -2.317 1.00 13.12 C ATOM 2164 O ASN A 145 1.639 -18.914 -1.495 1.00 23.24 O ATOM 2165 CB ASN A 145 0.840 -18.323 -4.781 1.00 43.34 C ATOM 2166 CG ASN A 145 1.654 -19.516 -5.243 1.00 35.20 C ATOM 2167 OD1 ASN A 145 2.672 -19.873 -4.467 1.00 5.42 O flip ATOM 2168 ND2 ASN A 145 1.371 -20.110 -6.282 1.00 13.32 N flip ATOM 0 H ASN A 145 -1.799 -18.334 -2.880 1.00 12.02 H new ATOM 0 HA ASN A 145 0.005 -19.597 -3.265 1.00 75.02 H new ATOM 0 HB2 ASN A 145 0.047 -18.126 -5.503 1.00 43.34 H new ATOM 0 HB3 ASN A 145 1.477 -17.439 -4.759 1.00 43.34 H new ATOM 0 HD21 ASN A 145 0.580 -19.801 -6.847 1.00 13.32 H new ATOM 0 HD22 ASN A 145 1.927 -20.912 -6.579 1.00 13.32 H new ATOM 2174 N ARG A 146 1.564 -16.824 -2.324 1.00 41.33 N ATOM 2175 CA ARG A 146 2.500 -16.285 -1.346 1.00 73.41 C ATOM 2176 C ARG A 146 2.623 -14.770 -1.488 1.00 42.01 C ATOM 2177 O ARG A 146 2.544 -14.232 -2.593 1.00 5.44 O ATOM 2178 CB ARG A 146 3.875 -16.936 -1.509 1.00 70.21 C ATOM 2179 CG ARG A 146 4.435 -17.507 -0.217 1.00 3.43 C ATOM 2180 CD ARG A 146 5.585 -16.664 0.312 1.00 63.54 C ATOM 2181 NE ARG A 146 6.806 -16.855 -0.466 1.00 13.54 N ATOM 2182 CZ ARG A 146 7.556 -17.950 -0.400 1.00 11.41 C ATOM 2183 NH1 ARG A 146 7.210 -18.947 0.402 1.00 34.44 N ATOM 2184 NH2 ARG A 146 8.654 -18.049 -1.139 1.00 50.02 N ATOM 0 H ARG A 146 1.217 -16.140 -2.997 1.00 41.33 H new ATOM 0 HA ARG A 146 2.115 -16.510 -0.351 1.00 73.41 H new ATOM 0 HB2 ARG A 146 3.805 -17.734 -2.248 1.00 70.21 H new ATOM 0 HB3 ARG A 146 4.573 -16.197 -1.903 1.00 70.21 H new ATOM 0 HG2 ARG A 146 3.645 -17.558 0.532 1.00 3.43 H new ATOM 0 HG3 ARG A 146 4.779 -18.527 -0.388 1.00 3.43 H new ATOM 0 HD2 ARG A 146 5.303 -15.611 0.291 1.00 63.54 H new ATOM 0 HD3 ARG A 146 5.775 -16.922 1.354 1.00 63.54 H new ATOM 0 HE ARG A 146 7.099 -16.107 -1.094 1.00 13.54 H new ATOM 0 HH11 ARG A 146 6.366 -18.875 0.970 1.00 34.44 H new ATOM 0 HH12 ARG A 146 7.788 -19.786 0.451 1.00 34.44 H new ATOM 0 HH21 ARG A 146 8.923 -17.284 -1.758 1.00 50.02 H new ATOM 0 HH22 ARG A 146 9.229 -18.890 -1.088 1.00 50.02 H new ATOM 2195 N ILE A 147 2.816 -14.089 -0.364 1.00 15.44 N ATOM 2196 CA ILE A 147 2.951 -12.637 -0.364 1.00 24.24 C ATOM 2197 C ILE A 147 4.193 -12.201 -1.135 1.00 63.44 C ATOM 2198 O ILE A 147 5.263 -12.016 -0.557 1.00 14.13 O ATOM 2199 CB ILE A 147 3.028 -12.079 1.069 1.00 4.10 C ATOM 2200 CG1 ILE A 147 1.728 -12.370 1.823 1.00 52.33 C ATOM 2201 CG2 ILE A 147 3.307 -10.583 1.040 1.00 62.42 C ATOM 2202 CD1 ILE A 147 1.711 -13.723 2.497 1.00 23.13 C ATOM 0 H ILE A 147 2.882 -14.519 0.559 1.00 15.44 H new ATOM 0 HA ILE A 147 2.063 -12.237 -0.853 1.00 24.24 H new ATOM 0 HB ILE A 147 3.848 -12.572 1.592 1.00 4.10 H new ATOM 0 HG12 ILE A 147 1.573 -11.596 2.575 1.00 52.33 H new ATOM 0 HG13 ILE A 147 0.892 -12.310 1.126 1.00 52.33 H new ATOM 0 HG21 ILE A 147 3.359 -10.203 2.060 1.00 62.42 H new ATOM 0 HG22 ILE A 147 4.256 -10.400 0.536 1.00 62.42 H new ATOM 0 HG23 ILE A 147 2.507 -10.074 0.503 1.00 62.42 H new ATOM 0 HD11 ILE A 147 0.760 -13.861 3.012 1.00 23.13 H new ATOM 0 HD12 ILE A 147 1.835 -14.505 1.747 1.00 23.13 H new ATOM 0 HD13 ILE A 147 2.526 -13.780 3.219 1.00 23.13 H new ATOM 2213 N THR A 148 4.041 -12.034 -2.446 1.00 24.25 N ATOM 2214 CA THR A 148 5.148 -11.619 -3.297 1.00 34.20 C ATOM 2215 C THR A 148 4.697 -10.582 -4.319 1.00 13.51 C ATOM 2216 O THR A 148 4.091 -10.921 -5.336 1.00 0.02 O ATOM 2217 CB THR A 148 5.768 -12.818 -4.038 1.00 35.04 C ATOM 2218 OG1 THR A 148 5.477 -14.032 -3.336 1.00 50.44 O ATOM 2219 CG2 THR A 148 7.275 -12.652 -4.171 1.00 21.41 C ATOM 0 H THR A 148 3.161 -12.180 -2.941 1.00 24.25 H new ATOM 0 HA THR A 148 5.900 -11.178 -2.643 1.00 34.20 H new ATOM 0 HB THR A 148 5.334 -12.863 -5.037 1.00 35.04 H new ATOM 0 HG1 THR A 148 4.525 -14.245 -3.431 1.00 50.44 H new ATOM 0 HG21 THR A 148 7.691 -13.511 -4.698 1.00 21.41 H new ATOM 0 HG22 THR A 148 7.493 -11.743 -4.731 1.00 21.41 H new ATOM 0 HG23 THR A 148 7.722 -12.583 -3.179 1.00 21.41 H new ATOM 2227 N LEU A 149 4.996 -9.317 -4.042 1.00 44.54 N ATOM 2228 CA LEU A 149 4.621 -8.229 -4.940 1.00 31.33 C ATOM 2229 C LEU A 149 5.384 -6.954 -4.597 1.00 62.21 C ATOM 2230 O LEU A 149 6.178 -6.928 -3.657 1.00 52.04 O ATOM 2231 CB LEU A 149 3.115 -7.973 -4.861 1.00 22.43 C ATOM 2232 CG LEU A 149 2.613 -7.305 -3.580 1.00 5.34 C ATOM 2233 CD1 LEU A 149 3.354 -7.851 -2.369 1.00 2.12 C ATOM 2234 CD2 LEU A 149 2.773 -5.795 -3.669 1.00 73.33 C ATOM 0 H LEU A 149 5.496 -9.020 -3.204 1.00 44.54 H new ATOM 0 HA LEU A 149 4.880 -8.523 -5.957 1.00 31.33 H new ATOM 0 HB2 LEU A 149 2.828 -7.350 -5.708 1.00 22.43 H new ATOM 0 HB3 LEU A 149 2.598 -8.926 -4.976 1.00 22.43 H new ATOM 0 HG LEU A 149 1.553 -7.532 -3.465 1.00 5.34 H new ATOM 0 HD11 LEU A 149 2.984 -7.365 -1.466 1.00 2.12 H new ATOM 0 HD12 LEU A 149 3.189 -8.926 -2.296 1.00 2.12 H new ATOM 0 HD13 LEU A 149 4.421 -7.654 -2.476 1.00 2.12 H new ATOM 0 HD21 LEU A 149 2.411 -5.336 -2.749 1.00 73.33 H new ATOM 0 HD22 LEU A 149 3.826 -5.548 -3.808 1.00 73.33 H new ATOM 0 HD23 LEU A 149 2.197 -5.417 -4.514 1.00 73.33 H new ATOM 2245 N ARG A 150 5.136 -5.899 -5.366 1.00 15.42 N ATOM 2246 CA ARG A 150 5.800 -4.619 -5.143 1.00 63.24 C ATOM 2247 C ARG A 150 4.795 -3.471 -5.191 1.00 3.20 C ATOM 2248 O ARG A 150 4.132 -3.255 -6.206 1.00 51.23 O ATOM 2249 CB ARG A 150 6.894 -4.399 -6.189 1.00 75.33 C ATOM 2250 CG ARG A 150 6.396 -4.499 -7.622 1.00 75.43 C ATOM 2251 CD ARG A 150 6.214 -3.125 -8.246 1.00 74.43 C ATOM 2252 NE ARG A 150 7.100 -2.921 -9.389 1.00 70.32 N ATOM 2253 CZ ARG A 150 7.111 -1.814 -10.122 1.00 54.25 C ATOM 2254 NH1 ARG A 150 6.287 -0.815 -9.834 1.00 60.33 N ATOM 2255 NH2 ARG A 150 7.947 -1.702 -11.147 1.00 32.42 N ATOM 0 H ARG A 150 4.481 -5.904 -6.148 1.00 15.42 H new ATOM 0 HA ARG A 150 6.254 -4.640 -4.152 1.00 63.24 H new ATOM 0 HB2 ARG A 150 7.339 -3.416 -6.036 1.00 75.33 H new ATOM 0 HB3 ARG A 150 7.684 -5.134 -6.036 1.00 75.33 H new ATOM 0 HG2 ARG A 150 7.104 -5.078 -8.215 1.00 75.43 H new ATOM 0 HG3 ARG A 150 5.448 -5.037 -7.642 1.00 75.43 H new ATOM 0 HD2 ARG A 150 5.178 -3.006 -8.564 1.00 74.43 H new ATOM 0 HD3 ARG A 150 6.407 -2.358 -7.496 1.00 74.43 H new ATOM 0 HE ARG A 150 7.746 -3.670 -9.638 1.00 70.32 H new ATOM 0 HH11 ARG A 150 5.643 -0.896 -9.048 1.00 60.33 H new ATOM 0 HH12 ARG A 150 6.298 0.034 -10.399 1.00 60.33 H new ATOM 0 HH21 ARG A 150 8.582 -2.467 -11.373 1.00 32.42 H new ATOM 0 HH22 ARG A 150 7.954 -0.851 -11.709 1.00 32.42 H new ATOM 2266 N LEU A 151 4.689 -2.737 -4.088 1.00 22.14 N ATOM 2267 CA LEU A 151 3.766 -1.611 -4.004 1.00 24.02 C ATOM 2268 C LEU A 151 4.503 -0.289 -4.187 1.00 35.43 C ATOM 2269 O LEU A 151 5.036 0.273 -3.230 1.00 70.30 O ATOM 2270 CB LEU A 151 3.039 -1.622 -2.658 1.00 2.20 C ATOM 2271 CG LEU A 151 2.130 -0.425 -2.377 1.00 33.23 C ATOM 2272 CD1 LEU A 151 0.688 -0.879 -2.209 1.00 50.33 C ATOM 2273 CD2 LEU A 151 2.602 0.324 -1.140 1.00 13.23 C ATOM 0 H LEU A 151 5.231 -2.902 -3.240 1.00 22.14 H new ATOM 0 HA LEU A 151 3.034 -1.711 -4.806 1.00 24.02 H new ATOM 0 HB2 LEU A 151 2.439 -2.530 -2.599 1.00 2.20 H new ATOM 0 HB3 LEU A 151 3.785 -1.681 -1.865 1.00 2.20 H new ATOM 0 HG LEU A 151 2.180 0.253 -3.229 1.00 33.23 H new ATOM 0 HD11 LEU A 151 0.055 -0.014 -2.010 1.00 50.33 H new ATOM 0 HD12 LEU A 151 0.353 -1.371 -3.122 1.00 50.33 H new ATOM 0 HD13 LEU A 151 0.621 -1.577 -1.375 1.00 50.33 H new ATOM 0 HD21 LEU A 151 1.943 1.173 -0.955 1.00 13.23 H new ATOM 0 HD22 LEU A 151 2.582 -0.345 -0.280 1.00 13.23 H new ATOM 0 HD23 LEU A 151 3.619 0.682 -1.297 1.00 13.23 H new ATOM 2284 N GLU A 152 4.527 0.204 -5.421 1.00 53.21 N ATOM 2285 CA GLU A 152 5.198 1.463 -5.727 1.00 63.12 C ATOM 2286 C GLU A 152 4.196 2.612 -5.791 1.00 21.00 C ATOM 2287 O GLU A 152 3.068 2.442 -6.257 1.00 32.35 O ATOM 2288 CB GLU A 152 5.952 1.354 -7.054 1.00 52.04 C ATOM 2289 CG GLU A 152 6.474 2.685 -7.568 1.00 61.31 C ATOM 2290 CD GLU A 152 7.563 2.521 -8.610 1.00 52.44 C ATOM 2291 OE1 GLU A 152 7.225 2.369 -9.803 1.00 20.04 O ATOM 2292 OE2 GLU A 152 8.753 2.545 -8.232 1.00 51.45 O ATOM 0 H GLU A 152 4.090 -0.248 -6.224 1.00 53.21 H new ATOM 0 HA GLU A 152 5.910 1.670 -4.928 1.00 63.12 H new ATOM 0 HB2 GLU A 152 6.790 0.668 -6.931 1.00 52.04 H new ATOM 0 HB3 GLU A 152 5.291 0.919 -7.803 1.00 52.04 H new ATOM 0 HG2 GLU A 152 5.649 3.254 -7.997 1.00 61.31 H new ATOM 0 HG3 GLU A 152 6.861 3.267 -6.731 1.00 61.31 H new ATOM 2297 N LEU A 153 4.615 3.782 -5.321 1.00 24.51 N ATOM 2298 CA LEU A 153 3.755 4.960 -5.324 1.00 42.32 C ATOM 2299 C LEU A 153 4.308 6.035 -6.255 1.00 32.52 C ATOM 2300 O LEU A 153 5.522 6.200 -6.378 1.00 2.52 O ATOM 2301 CB LEU A 153 3.617 5.517 -3.907 1.00 14.51 C ATOM 2302 CG LEU A 153 4.890 6.093 -3.285 1.00 54.01 C ATOM 2303 CD1 LEU A 153 4.986 7.587 -3.552 1.00 54.32 C ATOM 2304 CD2 LEU A 153 4.927 5.813 -1.790 1.00 41.33 C ATOM 0 H LEU A 153 5.545 3.940 -4.933 1.00 24.51 H new ATOM 0 HA LEU A 153 2.772 4.662 -5.688 1.00 42.32 H new ATOM 0 HB2 LEU A 153 2.856 6.298 -3.918 1.00 14.51 H new ATOM 0 HB3 LEU A 153 3.248 4.721 -3.260 1.00 14.51 H new ATOM 0 HG LEU A 153 5.749 5.606 -3.747 1.00 54.01 H new ATOM 0 HD11 LEU A 153 5.898 7.979 -3.102 1.00 54.32 H new ATOM 0 HD12 LEU A 153 5.007 7.764 -4.627 1.00 54.32 H new ATOM 0 HD13 LEU A 153 4.122 8.090 -3.118 1.00 54.32 H new ATOM 0 HD21 LEU A 153 5.840 6.230 -1.364 1.00 41.33 H new ATOM 0 HD22 LEU A 153 4.061 6.272 -1.312 1.00 41.33 H new ATOM 0 HD23 LEU A 153 4.907 4.736 -1.621 1.00 41.33 H new ATOM 2315 N LEU A 154 3.409 6.765 -6.906 1.00 70.31 N ATOM 2316 CA LEU A 154 3.806 7.827 -7.825 1.00 24.54 C ATOM 2317 C LEU A 154 3.385 9.192 -7.292 1.00 42.42 C ATOM 2318 O LEU A 154 2.367 9.318 -6.614 1.00 73.01 O ATOM 2319 CB LEU A 154 3.189 7.591 -9.204 1.00 71.05 C ATOM 2320 CG LEU A 154 3.575 6.285 -9.898 1.00 64.42 C ATOM 2321 CD1 LEU A 154 5.069 6.033 -9.771 1.00 32.15 C ATOM 2322 CD2 LEU A 154 2.785 5.120 -9.320 1.00 70.14 C ATOM 0 H LEU A 154 2.401 6.641 -6.815 1.00 70.31 H new ATOM 0 HA LEU A 154 4.892 7.812 -7.913 1.00 24.54 H new ATOM 0 HB2 LEU A 154 2.104 7.619 -9.104 1.00 71.05 H new ATOM 0 HB3 LEU A 154 3.471 8.421 -9.853 1.00 71.05 H new ATOM 0 HG LEU A 154 3.332 6.374 -10.957 1.00 64.42 H new ATOM 0 HD11 LEU A 154 5.324 5.099 -10.271 1.00 32.15 H new ATOM 0 HD12 LEU A 154 5.617 6.854 -10.234 1.00 32.15 H new ATOM 0 HD13 LEU A 154 5.338 5.965 -8.717 1.00 32.15 H new ATOM 0 HD21 LEU A 154 3.073 4.199 -9.826 1.00 70.14 H new ATOM 0 HD22 LEU A 154 2.996 5.030 -8.254 1.00 70.14 H new ATOM 0 HD23 LEU A 154 1.719 5.296 -9.465 1.00 70.14 H new ATOM 2333 N GLY A 155 4.175 10.214 -7.607 1.00 2.53 N ATOM 2334 CA GLY A 155 3.867 11.558 -7.154 1.00 62.20 C ATOM 2335 C GLY A 155 3.913 12.573 -8.279 1.00 63.43 C ATOM 2336 O GLY A 155 4.100 12.214 -9.442 1.00 55.43 O ATOM 0 H GLY A 155 5.023 10.135 -8.168 1.00 2.53 H new ATOM 0 HA2 GLY A 155 2.876 11.567 -6.701 1.00 62.20 H new ATOM 0 HA3 GLY A 155 4.575 11.848 -6.378 1.00 62.20 H new ATOM 2340 N CYS A 156 3.737 13.844 -7.934 1.00 13.34 N ATOM 2341 CA CYS A 156 3.757 14.915 -8.922 1.00 54.35 C ATOM 2342 C CYS A 156 5.033 15.744 -8.800 1.00 43.41 C ATOM 2343 O CYS A 156 5.416 16.455 -9.731 1.00 71.15 O ATOM 2344 CB CYS A 156 2.532 15.817 -8.752 1.00 44.44 C ATOM 2345 SG CYS A 156 1.260 15.591 -10.036 1.00 3.51 S ATOM 0 H CYS A 156 3.579 14.157 -6.976 1.00 13.34 H new ATOM 0 HA CYS A 156 3.732 14.462 -9.913 1.00 54.35 H new ATOM 0 HB2 CYS A 156 2.086 15.626 -7.776 1.00 44.44 H new ATOM 0 HB3 CYS A 156 2.857 16.858 -8.756 1.00 44.44 H new ATOM 2349 N LEU A 157 5.686 15.649 -7.648 1.00 62.01 N ATOM 2350 CA LEU A 157 6.919 16.388 -7.404 1.00 52.53 C ATOM 2351 C LEU A 157 6.681 17.892 -7.501 1.00 41.14 C ATOM 2352 O LEU A 157 7.583 18.652 -7.851 1.00 41.02 O ATOM 2353 CB LEU A 157 7.997 15.967 -8.405 1.00 13.23 C ATOM 2354 CG LEU A 157 9.385 15.697 -7.822 1.00 62.01 C ATOM 2355 CD1 LEU A 157 9.928 16.941 -7.136 1.00 45.22 C ATOM 2356 CD2 LEU A 157 9.336 14.527 -6.850 1.00 35.23 C ATOM 0 H LEU A 157 5.382 15.067 -6.867 1.00 62.01 H new ATOM 0 HA LEU A 157 7.258 16.156 -6.394 1.00 52.53 H new ATOM 0 HB2 LEU A 157 7.658 15.066 -8.916 1.00 13.23 H new ATOM 0 HB3 LEU A 157 8.088 16.747 -9.161 1.00 13.23 H new ATOM 0 HG LEU A 157 10.057 15.437 -8.640 1.00 62.01 H new ATOM 0 HD11 LEU A 157 10.916 16.729 -6.728 1.00 45.22 H new ATOM 0 HD12 LEU A 157 10.001 17.753 -7.859 1.00 45.22 H new ATOM 0 HD13 LEU A 157 9.257 17.234 -6.329 1.00 45.22 H new ATOM 0 HD21 LEU A 157 10.332 14.349 -6.445 1.00 35.23 H new ATOM 0 HD22 LEU A 157 8.649 14.759 -6.036 1.00 35.23 H new ATOM 0 HD23 LEU A 157 8.992 13.634 -7.372 1.00 35.23 H new ATOM 2367 N GLU A 158 5.460 18.314 -7.186 1.00 63.31 N ATOM 2368 CA GLU A 158 5.103 19.727 -7.236 1.00 23.22 C ATOM 2369 C GLU A 158 4.534 20.192 -5.898 1.00 40.21 C ATOM 2370 O GLU A 158 4.473 19.425 -4.938 1.00 44.53 O ATOM 2371 CB GLU A 158 4.087 19.980 -8.351 1.00 63.14 C ATOM 2372 CG GLU A 158 4.119 21.399 -8.894 1.00 33.21 C ATOM 2373 CD GLU A 158 4.070 21.445 -10.408 1.00 10.32 C ATOM 2374 OE1 GLU A 158 3.405 20.574 -11.007 1.00 3.35 O ATOM 2375 OE2 GLU A 158 4.697 22.353 -10.995 1.00 25.22 O ATOM 0 H GLU A 158 4.702 17.698 -6.894 1.00 63.31 H new ATOM 0 HA GLU A 158 6.008 20.297 -7.444 1.00 23.22 H new ATOM 0 HB2 GLU A 158 4.276 19.283 -9.168 1.00 63.14 H new ATOM 0 HB3 GLU A 158 3.087 19.767 -7.975 1.00 63.14 H new ATOM 0 HG2 GLU A 158 3.275 21.958 -8.490 1.00 33.21 H new ATOM 0 HG3 GLU A 158 5.025 21.896 -8.548 1.00 33.21 H new