USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1112 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 132 THR OG1 : rot 180:sc= 0.721 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -178:sc= 0.757 (180deg=-0.15) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -0.635 X(o=-0.9!,f=-0.51) USER MOD Set 2.2: A 55 HIS :FLIP no HE2:sc= 0.13 F(o=-2.4,f=-0.51) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.0273 K(o=-0.35,f=-1.2) USER MOD Set 3.2: A 37 SER OG : rot 130:sc= -0.374 USER MOD Set 4.1: A 16 TYR OH : rot -140:sc= -0.567! USER MOD Set 4.2: A 20 GLN : amide:sc= 0.338 K(o=0.43,f=-5.2) USER MOD Set 4.3: A 52 GLN : amide:sc= 0.585 K(o=0.43,f=-2.2) USER MOD Set 4.4: A 107 LYS NZ :NH3+ -143:sc= 0.0748 (180deg=-2.43!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -75:sc= 0.676 USER MOD Single : A 14 SER OG : rot -77:sc= 0.835 USER MOD Single : A 22 THR OG1 : rot -12:sc=-0.00274 USER MOD Single : A 36 THR OG1 : rot -111:sc= 0.112 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.972) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.0283 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.225 K(o=-0.23,f=-0.82) USER MOD Single : A 62 MET CE :methyl 165:sc= -0.0863 (180deg=-0.431) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.297 F(o=-1.8!,f=-0.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 162:sc= -0.044 (180deg=-1.58) USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.256 F(o=-0.88,f=0.26) USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.686 USER MOD Single : A 100 SER OG : rot -75:sc= 0.424 USER MOD Single : A 108 HIS : no HD1:sc= 0.059 K(o=0.059,f=-0.6) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0728 (180deg=-0.373) USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.83 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.232 K(o=-0.23,f=-3.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 69:sc= 1.07 USER MOD Single : A 126 THR OG1 : rot -117:sc= -1.17 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc=-0.00661 X(o=-0.0066,f=-0.38) USER MOD Single : A 151 HIS : no HE2:sc= -0.65 K(o=-0.65,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 3.823 -3.189 -5.092 1.00 1.15 N ATOM 36 CA ASP A 3 4.201 -3.218 -6.511 1.00 75.03 C ATOM 37 C ASP A 3 3.138 -3.939 -7.366 1.00 4.03 C ATOM 38 O ASP A 3 2.148 -4.459 -6.836 1.00 55.22 O ATOM 39 CB ASP A 3 5.565 -3.896 -6.669 1.00 1.13 C ATOM 40 CG ASP A 3 5.550 -5.337 -6.196 1.00 65.55 C ATOM 41 OD1 ASP A 3 5.739 -5.583 -4.989 1.00 72.12 O ATOM 42 OD2 ASP A 3 5.355 -6.231 -7.036 1.00 71.12 O ATOM 0 HA ASP A 3 4.265 -2.190 -6.868 1.00 75.03 H new ATOM 0 HB2 ASP A 3 5.866 -3.863 -7.716 1.00 1.13 H new ATOM 0 HB3 ASP A 3 6.313 -3.339 -6.105 1.00 1.13 H new ATOM 47 N GLU A 4 3.350 -3.978 -8.687 1.00 25.44 N ATOM 48 CA GLU A 4 2.388 -4.602 -9.606 1.00 54.13 C ATOM 49 C GLU A 4 2.237 -6.108 -9.348 1.00 40.32 C ATOM 50 O GLU A 4 1.126 -6.634 -9.387 1.00 24.25 O ATOM 51 CB GLU A 4 2.788 -4.377 -11.070 1.00 41.44 C ATOM 52 CG GLU A 4 1.762 -4.930 -12.057 1.00 13.24 C ATOM 53 CD GLU A 4 2.209 -4.834 -13.503 1.00 74.12 C ATOM 54 OE1 GLU A 4 2.042 -3.759 -14.114 1.00 32.03 O ATOM 55 OE2 GLU A 4 2.725 -5.838 -14.041 1.00 62.22 O ATOM 0 H GLU A 4 4.175 -3.587 -9.143 1.00 25.44 H new ATOM 0 HA GLU A 4 1.428 -4.121 -9.417 1.00 54.13 H new ATOM 0 HB2 GLU A 4 2.916 -3.309 -11.247 1.00 41.44 H new ATOM 0 HB3 GLU A 4 3.753 -4.848 -11.254 1.00 41.44 H new ATOM 0 HG2 GLU A 4 1.561 -5.973 -11.815 1.00 13.24 H new ATOM 0 HG3 GLU A 4 0.824 -4.388 -11.937 1.00 13.24 H new ATOM 62 N LEU A 5 3.347 -6.800 -9.084 1.00 53.34 N ATOM 63 CA LEU A 5 3.304 -8.245 -8.822 1.00 55.44 C ATOM 64 C LEU A 5 2.432 -8.546 -7.596 1.00 2.35 C ATOM 65 O LEU A 5 1.654 -9.504 -7.596 1.00 40.01 O ATOM 66 CB LEU A 5 4.715 -8.810 -8.611 1.00 74.34 C ATOM 67 CG LEU A 5 4.781 -10.317 -8.306 1.00 33.03 C ATOM 68 CD1 LEU A 5 4.267 -11.141 -9.483 1.00 43.41 C ATOM 69 CD2 LEU A 5 6.201 -10.726 -7.935 1.00 62.34 C ATOM 0 H LEU A 5 4.280 -6.390 -9.045 1.00 53.34 H new ATOM 0 HA LEU A 5 2.866 -8.728 -9.695 1.00 55.44 H new ATOM 0 HB2 LEU A 5 5.306 -8.611 -9.505 1.00 74.34 H new ATOM 0 HB3 LEU A 5 5.186 -8.269 -7.790 1.00 74.34 H new ATOM 0 HG LEU A 5 4.132 -10.518 -7.453 1.00 33.03 H new ATOM 0 HD11 LEU A 5 4.326 -12.201 -9.238 1.00 43.41 H new ATOM 0 HD12 LEU A 5 3.231 -10.873 -9.690 1.00 43.41 H new ATOM 0 HD13 LEU A 5 4.877 -10.938 -10.363 1.00 43.41 H new ATOM 0 HD21 LEU A 5 6.228 -11.795 -7.723 1.00 62.34 H new ATOM 0 HD22 LEU A 5 6.872 -10.504 -8.765 1.00 62.34 H new ATOM 0 HD23 LEU A 5 6.520 -10.173 -7.052 1.00 62.34 H new ATOM 81 N TYR A 6 2.570 -7.722 -6.557 1.00 10.35 N ATOM 82 CA TYR A 6 1.713 -7.822 -5.369 1.00 22.31 C ATOM 83 C TYR A 6 0.230 -7.696 -5.753 1.00 54.33 C ATOM 84 O TYR A 6 -0.598 -8.509 -5.348 1.00 73.41 O ATOM 85 CB TYR A 6 2.088 -6.732 -4.347 1.00 35.30 C ATOM 86 CG TYR A 6 1.154 -6.661 -3.147 1.00 30.02 C ATOM 87 CD1 TYR A 6 1.347 -7.476 -2.035 1.00 32.24 C ATOM 88 CD2 TYR A 6 0.071 -5.785 -3.133 1.00 55.13 C ATOM 89 CE1 TYR A 6 0.491 -7.420 -0.949 1.00 54.43 C ATOM 90 CE2 TYR A 6 -0.785 -5.721 -2.051 1.00 51.31 C ATOM 91 CZ TYR A 6 -0.572 -6.542 -0.962 1.00 74.41 C ATOM 92 OH TYR A 6 -1.429 -6.484 0.113 1.00 31.35 O ATOM 0 H TYR A 6 3.266 -6.977 -6.511 1.00 10.35 H new ATOM 0 HA TYR A 6 1.870 -8.801 -4.917 1.00 22.31 H new ATOM 0 HB2 TYR A 6 3.103 -6.913 -3.994 1.00 35.30 H new ATOM 0 HB3 TYR A 6 2.093 -5.764 -4.849 1.00 35.30 H new ATOM 0 HD1 TYR A 6 2.179 -8.164 -2.020 1.00 32.24 H new ATOM 0 HD2 TYR A 6 -0.103 -5.144 -3.984 1.00 55.13 H new ATOM 0 HE1 TYR A 6 0.655 -8.061 -0.095 1.00 54.43 H new ATOM 0 HE2 TYR A 6 -1.617 -5.032 -2.057 1.00 51.31 H new ATOM 0 HH TYR A 6 -2.122 -5.813 -0.057 1.00 31.35 H new ATOM 102 N ARG A 7 -0.093 -6.673 -6.543 1.00 32.13 N ATOM 103 CA ARG A 7 -1.474 -6.441 -6.987 1.00 43.14 C ATOM 104 C ARG A 7 -1.990 -7.593 -7.869 1.00 21.44 C ATOM 105 O ARG A 7 -3.120 -8.055 -7.708 1.00 44.22 O ATOM 106 CB ARG A 7 -1.569 -5.114 -7.754 1.00 73.34 C ATOM 107 CG ARG A 7 -1.219 -3.887 -6.920 1.00 43.22 C ATOM 108 CD ARG A 7 -2.128 -3.757 -5.702 1.00 34.43 C ATOM 109 NE ARG A 7 -3.544 -3.751 -6.069 1.00 45.34 N ATOM 110 CZ ARG A 7 -4.523 -3.571 -5.223 1.00 33.42 C ATOM 111 NH1 ARG A 7 -4.291 -3.322 -3.976 1.00 44.22 N ATOM 112 NH2 ARG A 7 -5.745 -3.617 -5.635 1.00 64.41 N ATOM 0 H ARG A 7 0.580 -5.990 -6.891 1.00 32.13 H new ATOM 0 HA ARG A 7 -2.102 -6.393 -6.097 1.00 43.14 H new ATOM 0 HB2 ARG A 7 -0.903 -5.156 -8.616 1.00 73.34 H new ATOM 0 HB3 ARG A 7 -2.582 -5.001 -8.139 1.00 73.34 H new ATOM 0 HG2 ARG A 7 -0.181 -3.952 -6.594 1.00 43.22 H new ATOM 0 HG3 ARG A 7 -1.305 -2.992 -7.536 1.00 43.22 H new ATOM 0 HD2 ARG A 7 -1.935 -4.583 -5.017 1.00 34.43 H new ATOM 0 HD3 ARG A 7 -1.889 -2.837 -5.168 1.00 34.43 H new ATOM 0 HE ARG A 7 -3.783 -3.897 -7.050 1.00 45.34 H new ATOM 0 HH11 ARG A 7 -3.331 -3.263 -3.638 1.00 44.22 H new ATOM 0 HH12 ARG A 7 -5.068 -3.184 -3.330 1.00 44.22 H new ATOM 0 HH21 ARG A 7 -5.945 -3.794 -6.619 1.00 64.41 H new ATOM 0 HH22 ARG A 7 -6.511 -3.477 -4.976 1.00 64.41 H new ATOM 126 N GLN A 8 -1.146 -8.050 -8.789 1.00 24.31 N ATOM 127 CA GLN A 8 -1.500 -9.129 -9.717 1.00 10.32 C ATOM 128 C GLN A 8 -1.791 -10.437 -8.967 1.00 71.20 C ATOM 129 O GLN A 8 -2.838 -11.061 -9.155 1.00 32.42 O ATOM 130 CB GLN A 8 -0.354 -9.342 -10.715 1.00 64.13 C ATOM 131 CG GLN A 8 -0.652 -10.368 -11.802 1.00 63.51 C ATOM 132 CD GLN A 8 0.478 -10.497 -12.812 1.00 4.20 C ATOM 133 OE1 GLN A 8 1.234 -9.558 -13.041 1.00 2.44 O ATOM 134 NE2 GLN A 8 0.584 -11.644 -13.451 1.00 15.43 N ATOM 0 H GLN A 8 -0.201 -7.688 -8.915 1.00 24.31 H new ATOM 0 HA GLN A 8 -2.405 -8.840 -10.251 1.00 10.32 H new ATOM 0 HB2 GLN A 8 -0.117 -8.389 -11.187 1.00 64.13 H new ATOM 0 HB3 GLN A 8 0.535 -9.657 -10.168 1.00 64.13 H new ATOM 0 HG2 GLN A 8 -0.834 -11.338 -11.340 1.00 63.51 H new ATOM 0 HG3 GLN A 8 -1.568 -10.086 -12.321 1.00 63.51 H new ATOM 0 HE21 GLN A 8 -0.059 -12.407 -13.239 1.00 15.43 H new ATOM 0 HE22 GLN A 8 1.309 -11.769 -14.157 1.00 15.43 H new ATOM 143 N SER A 9 -0.855 -10.840 -8.113 1.00 51.24 N ATOM 144 CA SER A 9 -1.017 -12.048 -7.293 1.00 33.41 C ATOM 145 C SER A 9 -2.221 -11.920 -6.355 1.00 12.13 C ATOM 146 O SER A 9 -3.018 -12.851 -6.222 1.00 55.31 O ATOM 147 CB SER A 9 0.256 -12.315 -6.479 1.00 75.34 C ATOM 148 OG SER A 9 0.612 -11.190 -5.695 1.00 73.13 O ATOM 0 H SER A 9 0.028 -10.350 -7.967 1.00 51.24 H new ATOM 0 HA SER A 9 -1.194 -12.888 -7.964 1.00 33.41 H new ATOM 0 HB2 SER A 9 0.102 -13.178 -5.831 1.00 75.34 H new ATOM 0 HB3 SER A 9 1.075 -12.565 -7.153 1.00 75.34 H new ATOM 0 HG SER A 9 1.006 -10.502 -6.271 1.00 73.13 H new ATOM 154 N LEU A 10 -2.349 -10.756 -5.715 1.00 5.03 N ATOM 155 CA LEU A 10 -3.500 -10.460 -4.853 1.00 31.21 C ATOM 156 C LEU A 10 -4.829 -10.679 -5.595 1.00 53.30 C ATOM 157 O LEU A 10 -5.754 -11.282 -5.053 1.00 4.01 O ATOM 158 CB LEU A 10 -3.420 -9.015 -4.333 1.00 12.42 C ATOM 159 CG LEU A 10 -4.556 -8.583 -3.386 1.00 54.25 C ATOM 160 CD1 LEU A 10 -4.577 -9.450 -2.129 1.00 32.40 C ATOM 161 CD2 LEU A 10 -4.425 -7.104 -3.021 1.00 31.13 C ATOM 0 H LEU A 10 -1.668 -9.999 -5.777 1.00 5.03 H new ATOM 0 HA LEU A 10 -3.467 -11.148 -4.008 1.00 31.21 H new ATOM 0 HB2 LEU A 10 -2.470 -8.887 -3.814 1.00 12.42 H new ATOM 0 HB3 LEU A 10 -3.409 -8.340 -5.189 1.00 12.42 H new ATOM 0 HG LEU A 10 -5.502 -8.722 -3.909 1.00 54.25 H new ATOM 0 HD11 LEU A 10 -5.388 -9.125 -1.477 1.00 32.40 H new ATOM 0 HD12 LEU A 10 -4.731 -10.492 -2.408 1.00 32.40 H new ATOM 0 HD13 LEU A 10 -3.627 -9.352 -1.604 1.00 32.40 H new ATOM 0 HD21 LEU A 10 -5.238 -6.821 -2.352 1.00 31.13 H new ATOM 0 HD22 LEU A 10 -3.470 -6.935 -2.524 1.00 31.13 H new ATOM 0 HD23 LEU A 10 -4.474 -6.500 -3.927 1.00 31.13 H new ATOM 173 N GLU A 11 -4.915 -10.193 -6.834 1.00 41.12 N ATOM 174 CA GLU A 11 -6.120 -10.375 -7.653 1.00 53.41 C ATOM 175 C GLU A 11 -6.412 -11.863 -7.906 1.00 13.40 C ATOM 176 O GLU A 11 -7.526 -12.335 -7.670 1.00 41.50 O ATOM 177 CB GLU A 11 -5.986 -9.636 -8.993 1.00 24.40 C ATOM 178 CG GLU A 11 -7.139 -9.920 -9.955 1.00 64.53 C ATOM 179 CD GLU A 11 -7.161 -8.999 -11.164 1.00 63.13 C ATOM 180 OE1 GLU A 11 -7.742 -7.896 -11.057 1.00 24.30 O ATOM 181 OE2 GLU A 11 -6.630 -9.379 -12.226 1.00 3.43 O ATOM 0 H GLU A 11 -4.169 -9.672 -7.294 1.00 41.12 H new ATOM 0 HA GLU A 11 -6.956 -9.953 -7.095 1.00 53.41 H new ATOM 0 HB2 GLU A 11 -5.934 -8.564 -8.805 1.00 24.40 H new ATOM 0 HB3 GLU A 11 -5.047 -9.923 -9.467 1.00 24.40 H new ATOM 0 HG2 GLU A 11 -7.071 -10.953 -10.296 1.00 64.53 H new ATOM 0 HG3 GLU A 11 -8.082 -9.823 -9.417 1.00 64.53 H new ATOM 188 N ILE A 12 -5.406 -12.593 -8.378 1.00 52.14 N ATOM 189 CA ILE A 12 -5.550 -14.026 -8.667 1.00 52.31 C ATOM 190 C ILE A 12 -6.041 -14.802 -7.430 1.00 22.15 C ATOM 191 O ILE A 12 -7.029 -15.538 -7.490 1.00 52.21 O ATOM 192 CB ILE A 12 -4.206 -14.635 -9.145 1.00 52.22 C ATOM 193 CG1 ILE A 12 -3.657 -13.852 -10.349 1.00 35.41 C ATOM 194 CG2 ILE A 12 -4.378 -16.110 -9.504 1.00 72.11 C ATOM 195 CD1 ILE A 12 -2.275 -14.295 -10.788 1.00 75.45 C ATOM 0 H ILE A 12 -4.477 -12.219 -8.571 1.00 52.14 H new ATOM 0 HA ILE A 12 -6.291 -14.117 -9.461 1.00 52.31 H new ATOM 0 HB ILE A 12 -3.489 -14.562 -8.327 1.00 52.22 H new ATOM 0 HG12 ILE A 12 -4.346 -13.961 -11.186 1.00 35.41 H new ATOM 0 HG13 ILE A 12 -3.626 -12.792 -10.098 1.00 35.41 H new ATOM 0 HG21 ILE A 12 -3.423 -16.517 -9.837 1.00 72.11 H new ATOM 0 HG22 ILE A 12 -4.722 -16.660 -8.628 1.00 72.11 H new ATOM 0 HG23 ILE A 12 -5.112 -16.207 -10.304 1.00 72.11 H new ATOM 0 HD11 ILE A 12 -1.955 -13.697 -11.642 1.00 75.45 H new ATOM 0 HD12 ILE A 12 -1.572 -14.160 -9.966 1.00 75.45 H new ATOM 0 HD13 ILE A 12 -2.303 -15.347 -11.072 1.00 75.45 H new ATOM 207 N ILE A 13 -5.350 -14.611 -6.310 1.00 51.32 N ATOM 208 CA ILE A 13 -5.671 -15.314 -5.063 1.00 42.12 C ATOM 209 C ILE A 13 -7.038 -14.889 -4.490 1.00 23.33 C ATOM 210 O ILE A 13 -7.872 -15.735 -4.167 1.00 71.11 O ATOM 211 CB ILE A 13 -4.562 -15.082 -4.003 1.00 41.45 C ATOM 212 CG1 ILE A 13 -3.208 -15.577 -4.545 1.00 10.12 C ATOM 213 CG2 ILE A 13 -4.908 -15.782 -2.687 1.00 32.10 C ATOM 214 CD1 ILE A 13 -2.032 -15.298 -3.632 1.00 63.32 C ATOM 0 H ILE A 13 -4.558 -13.972 -6.236 1.00 51.32 H new ATOM 0 HA ILE A 13 -5.726 -16.376 -5.303 1.00 42.12 H new ATOM 0 HB ILE A 13 -4.491 -14.013 -3.801 1.00 41.45 H new ATOM 0 HG12 ILE A 13 -3.271 -16.651 -4.720 1.00 10.12 H new ATOM 0 HG13 ILE A 13 -3.023 -15.107 -5.511 1.00 10.12 H new ATOM 0 HG21 ILE A 13 -4.115 -15.604 -1.961 1.00 32.10 H new ATOM 0 HG22 ILE A 13 -5.848 -15.388 -2.301 1.00 32.10 H new ATOM 0 HG23 ILE A 13 -5.008 -16.854 -2.860 1.00 32.10 H new ATOM 0 HD11 ILE A 13 -1.118 -15.679 -4.089 1.00 63.32 H new ATOM 0 HD12 ILE A 13 -1.939 -14.223 -3.476 1.00 63.32 H new ATOM 0 HD13 ILE A 13 -2.191 -15.791 -2.673 1.00 63.32 H new ATOM 226 N SER A 14 -7.267 -13.580 -4.378 1.00 40.14 N ATOM 227 CA SER A 14 -8.526 -13.051 -3.820 1.00 34.11 C ATOM 228 C SER A 14 -9.748 -13.593 -4.571 1.00 53.32 C ATOM 229 O SER A 14 -10.714 -14.057 -3.958 1.00 1.23 O ATOM 230 CB SER A 14 -8.543 -11.513 -3.859 1.00 75.41 C ATOM 231 OG SER A 14 -8.460 -11.023 -5.191 1.00 14.45 O ATOM 0 H SER A 14 -6.602 -12.862 -4.664 1.00 40.14 H new ATOM 0 HA SER A 14 -8.579 -13.385 -2.784 1.00 34.11 H new ATOM 0 HB2 SER A 14 -9.457 -11.147 -3.392 1.00 75.41 H new ATOM 0 HB3 SER A 14 -7.709 -11.124 -3.275 1.00 75.41 H new ATOM 0 HG SER A 14 -7.536 -11.095 -5.509 1.00 14.45 H new ATOM 237 N ARG A 15 -9.698 -13.539 -5.899 1.00 40.21 N ATOM 238 CA ARG A 15 -10.789 -14.048 -6.734 1.00 14.21 C ATOM 239 C ARG A 15 -10.992 -15.561 -6.541 1.00 64.24 C ATOM 240 O ARG A 15 -12.125 -16.035 -6.445 1.00 52.23 O ATOM 241 CB ARG A 15 -10.523 -13.725 -8.210 1.00 31.00 C ATOM 242 CG ARG A 15 -10.567 -12.233 -8.522 1.00 34.05 C ATOM 243 CD ARG A 15 -10.372 -11.955 -10.009 1.00 21.25 C ATOM 244 NE ARG A 15 -11.427 -12.548 -10.831 1.00 73.05 N ATOM 245 CZ ARG A 15 -11.729 -12.144 -12.038 1.00 14.44 C ATOM 246 NH1 ARG A 15 -11.162 -11.095 -12.546 1.00 65.32 N ATOM 247 NH2 ARG A 15 -12.626 -12.766 -12.723 1.00 32.12 N ATOM 0 H ARG A 15 -8.915 -13.148 -6.423 1.00 40.21 H new ATOM 0 HA ARG A 15 -11.708 -13.551 -6.422 1.00 14.21 H new ATOM 0 HB2 ARG A 15 -9.546 -14.118 -8.490 1.00 31.00 H new ATOM 0 HB3 ARG A 15 -11.261 -14.239 -8.825 1.00 31.00 H new ATOM 0 HG2 ARG A 15 -11.524 -11.823 -8.199 1.00 34.05 H new ATOM 0 HG3 ARG A 15 -9.792 -11.720 -7.952 1.00 34.05 H new ATOM 0 HD2 ARG A 15 -10.349 -10.878 -10.174 1.00 21.25 H new ATOM 0 HD3 ARG A 15 -9.405 -12.347 -10.325 1.00 21.25 H new ATOM 0 HE ARG A 15 -11.960 -13.324 -10.439 1.00 73.05 H new ATOM 0 HH11 ARG A 15 -10.472 -10.575 -12.004 1.00 65.32 H new ATOM 0 HH12 ARG A 15 -11.406 -10.790 -13.488 1.00 65.32 H new ATOM 0 HH21 ARG A 15 -13.102 -13.575 -12.324 1.00 32.12 H new ATOM 0 HH22 ARG A 15 -12.860 -12.449 -13.664 1.00 32.12 H new ATOM 261 N TYR A 16 -9.892 -16.312 -6.466 1.00 43.42 N ATOM 262 CA TYR A 16 -9.964 -17.760 -6.233 1.00 40.04 C ATOM 263 C TYR A 16 -10.635 -18.070 -4.882 1.00 54.50 C ATOM 264 O TYR A 16 -11.521 -18.923 -4.796 1.00 61.02 O ATOM 265 CB TYR A 16 -8.559 -18.379 -6.287 1.00 33.42 C ATOM 266 CG TYR A 16 -8.550 -19.892 -6.143 1.00 74.32 C ATOM 267 CD1 TYR A 16 -9.166 -20.701 -7.093 1.00 40.30 C ATOM 268 CD2 TYR A 16 -7.926 -20.510 -5.064 1.00 11.54 C ATOM 269 CE1 TYR A 16 -9.166 -22.076 -6.967 1.00 42.42 C ATOM 270 CE2 TYR A 16 -7.920 -21.886 -4.935 1.00 70.23 C ATOM 271 CZ TYR A 16 -8.541 -22.664 -5.888 1.00 50.34 C ATOM 272 OH TYR A 16 -8.541 -24.034 -5.762 1.00 62.03 O ATOM 0 H TYR A 16 -8.945 -15.947 -6.562 1.00 43.42 H new ATOM 0 HA TYR A 16 -10.573 -18.201 -7.022 1.00 40.04 H new ATOM 0 HB2 TYR A 16 -8.090 -18.111 -7.234 1.00 33.42 H new ATOM 0 HB3 TYR A 16 -7.950 -17.944 -5.495 1.00 33.42 H new ATOM 0 HD1 TYR A 16 -9.652 -20.246 -7.943 1.00 40.30 H new ATOM 0 HD2 TYR A 16 -7.438 -19.904 -4.315 1.00 11.54 H new ATOM 0 HE1 TYR A 16 -9.654 -22.689 -7.711 1.00 42.42 H new ATOM 0 HE2 TYR A 16 -7.431 -22.350 -4.091 1.00 70.23 H new ATOM 0 HH TYR A 16 -8.679 -24.276 -4.822 1.00 62.03 H new ATOM 282 N LEU A 17 -10.216 -17.361 -3.834 1.00 10.11 N ATOM 283 CA LEU A 17 -10.812 -17.517 -2.498 1.00 4.34 C ATOM 284 C LEU A 17 -12.296 -17.107 -2.488 1.00 64.52 C ATOM 285 O LEU A 17 -13.101 -17.693 -1.767 1.00 21.05 O ATOM 286 CB LEU A 17 -10.025 -16.702 -1.453 1.00 2.01 C ATOM 287 CG LEU A 17 -8.800 -17.408 -0.836 1.00 22.13 C ATOM 288 CD1 LEU A 17 -7.820 -17.872 -1.911 1.00 52.22 C ATOM 289 CD2 LEU A 17 -8.104 -16.494 0.171 1.00 2.41 C ATOM 0 H LEU A 17 -9.466 -16.671 -3.880 1.00 10.11 H new ATOM 0 HA LEU A 17 -10.756 -18.573 -2.236 1.00 4.34 H new ATOM 0 HB2 LEU A 17 -9.690 -15.775 -1.919 1.00 2.01 H new ATOM 0 HB3 LEU A 17 -10.705 -16.426 -0.648 1.00 2.01 H new ATOM 0 HG LEU A 17 -9.157 -18.294 -0.312 1.00 22.13 H new ATOM 0 HD11 LEU A 17 -6.970 -18.365 -1.440 1.00 52.22 H new ATOM 0 HD12 LEU A 17 -8.319 -18.572 -2.581 1.00 52.22 H new ATOM 0 HD13 LEU A 17 -7.470 -17.011 -2.481 1.00 52.22 H new ATOM 0 HD21 LEU A 17 -7.243 -17.010 0.595 1.00 2.41 H new ATOM 0 HD22 LEU A 17 -7.772 -15.585 -0.331 1.00 2.41 H new ATOM 0 HD23 LEU A 17 -8.800 -16.234 0.968 1.00 2.41 H new ATOM 301 N ARG A 18 -12.649 -16.099 -3.285 1.00 54.41 N ATOM 302 CA ARG A 18 -14.049 -15.667 -3.417 1.00 44.43 C ATOM 303 C ARG A 18 -14.927 -16.779 -4.008 1.00 65.44 C ATOM 304 O ARG A 18 -15.938 -17.161 -3.417 1.00 12.40 O ATOM 305 CB ARG A 18 -14.142 -14.399 -4.283 1.00 64.53 C ATOM 306 CG ARG A 18 -13.791 -13.105 -3.544 1.00 62.04 C ATOM 307 CD ARG A 18 -14.970 -12.565 -2.724 1.00 23.20 C ATOM 308 NE ARG A 18 -15.422 -13.493 -1.682 1.00 52.25 N ATOM 309 CZ ARG A 18 -16.601 -13.431 -1.110 1.00 22.12 C ATOM 310 NH1 ARG A 18 -17.469 -12.542 -1.471 1.00 31.25 N ATOM 311 NH2 ARG A 18 -16.919 -14.272 -0.181 1.00 3.44 N ATOM 0 H ARG A 18 -11.990 -15.564 -3.850 1.00 54.41 H new ATOM 0 HA ARG A 18 -14.421 -15.441 -2.418 1.00 44.43 H new ATOM 0 HB2 ARG A 18 -13.475 -14.508 -5.138 1.00 64.53 H new ATOM 0 HB3 ARG A 18 -15.155 -14.316 -4.677 1.00 64.53 H new ATOM 0 HG2 ARG A 18 -12.944 -13.285 -2.883 1.00 62.04 H new ATOM 0 HG3 ARG A 18 -13.477 -12.351 -4.266 1.00 62.04 H new ATOM 0 HD2 ARG A 18 -14.680 -11.622 -2.261 1.00 23.20 H new ATOM 0 HD3 ARG A 18 -15.802 -12.349 -3.394 1.00 23.20 H new ATOM 0 HE ARG A 18 -14.782 -14.230 -1.385 1.00 52.25 H new ATOM 0 HH11 ARG A 18 -17.241 -11.877 -2.210 1.00 31.25 H new ATOM 0 HH12 ARG A 18 -18.382 -12.506 -1.017 1.00 31.25 H new ATOM 0 HH21 ARG A 18 -16.252 -14.987 0.110 1.00 3.44 H new ATOM 0 HH22 ARG A 18 -17.837 -14.220 0.261 1.00 3.44 H new ATOM 325 N GLU A 19 -14.526 -17.304 -5.164 1.00 61.55 N ATOM 326 CA GLU A 19 -15.271 -18.381 -5.828 1.00 51.52 C ATOM 327 C GLU A 19 -15.306 -19.658 -4.971 1.00 72.01 C ATOM 328 O GLU A 19 -16.297 -20.389 -4.959 1.00 40.43 O ATOM 329 CB GLU A 19 -14.661 -18.681 -7.204 1.00 25.25 C ATOM 330 CG GLU A 19 -14.617 -17.472 -8.133 1.00 73.13 C ATOM 331 CD GLU A 19 -15.950 -16.742 -8.210 1.00 74.01 C ATOM 332 OE1 GLU A 19 -16.936 -17.342 -8.686 1.00 15.52 O ATOM 333 OE2 GLU A 19 -16.021 -15.571 -7.771 1.00 71.23 O ATOM 0 H GLU A 19 -13.689 -17.003 -5.664 1.00 61.55 H new ATOM 0 HA GLU A 19 -16.298 -18.041 -5.959 1.00 51.52 H new ATOM 0 HB2 GLU A 19 -13.648 -19.060 -7.068 1.00 25.25 H new ATOM 0 HB3 GLU A 19 -15.237 -19.474 -7.681 1.00 25.25 H new ATOM 0 HG2 GLU A 19 -13.848 -16.781 -7.787 1.00 73.13 H new ATOM 0 HG3 GLU A 19 -14.327 -17.797 -9.132 1.00 73.13 H new ATOM 340 N GLN A 20 -14.218 -19.921 -4.253 1.00 32.14 N ATOM 341 CA GLN A 20 -14.164 -21.051 -3.318 1.00 14.13 C ATOM 342 C GLN A 20 -15.007 -20.794 -2.072 1.00 20.11 C ATOM 343 O GLN A 20 -15.503 -21.728 -1.442 1.00 12.25 O ATOM 344 CB GLN A 20 -12.712 -21.349 -2.933 1.00 61.11 C ATOM 345 CG GLN A 20 -12.004 -22.168 -3.992 1.00 43.24 C ATOM 346 CD GLN A 20 -12.629 -23.543 -4.130 1.00 43.11 C ATOM 347 OE1 GLN A 20 -12.996 -24.175 -3.139 1.00 63.54 O ATOM 348 NE2 GLN A 20 -12.859 -23.962 -5.349 1.00 73.04 N ATOM 0 H GLN A 20 -13.361 -19.370 -4.297 1.00 32.14 H new ATOM 0 HA GLN A 20 -14.584 -21.921 -3.822 1.00 14.13 H new ATOM 0 HB2 GLN A 20 -12.177 -20.412 -2.781 1.00 61.11 H new ATOM 0 HB3 GLN A 20 -12.691 -21.886 -1.984 1.00 61.11 H new ATOM 0 HG2 GLN A 20 -12.049 -21.647 -4.949 1.00 43.24 H new ATOM 0 HG3 GLN A 20 -10.950 -22.269 -3.733 1.00 43.24 H new ATOM 0 HE21 GLN A 20 -12.540 -23.412 -6.146 1.00 73.04 H new ATOM 0 HE22 GLN A 20 -13.357 -24.839 -5.501 1.00 73.04 H new ATOM 357 N ALA A 21 -15.157 -19.528 -1.724 1.00 31.31 N ATOM 358 CA ALA A 21 -16.019 -19.129 -0.606 1.00 1.22 C ATOM 359 C ALA A 21 -17.499 -19.274 -0.977 1.00 43.40 C ATOM 360 O ALA A 21 -18.322 -19.697 -0.165 1.00 74.20 O ATOM 361 CB ALA A 21 -15.718 -17.696 -0.182 1.00 5.24 C ATOM 0 H ALA A 21 -14.695 -18.751 -2.196 1.00 31.31 H new ATOM 0 HA ALA A 21 -15.810 -19.792 0.234 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -16.367 -17.418 0.648 1.00 5.24 H new ATOM 0 HB2 ALA A 21 -14.677 -17.620 0.131 1.00 5.24 H new ATOM 0 HB3 ALA A 21 -15.895 -17.023 -1.021 1.00 5.24 H new ATOM 367 N THR A 22 -17.824 -18.923 -2.216 1.00 40.44 N ATOM 368 CA THR A 22 -19.204 -18.984 -2.712 1.00 12.11 C ATOM 369 C THR A 22 -19.544 -20.368 -3.289 1.00 31.22 C ATOM 370 O THR A 22 -20.716 -20.723 -3.420 1.00 4.20 O ATOM 371 CB THR A 22 -19.449 -17.910 -3.796 1.00 62.44 C ATOM 372 OG1 THR A 22 -18.598 -18.154 -4.925 1.00 4.31 O ATOM 373 CG2 THR A 22 -19.185 -16.509 -3.242 1.00 62.20 C ATOM 0 H THR A 22 -17.149 -18.590 -2.904 1.00 40.44 H new ATOM 0 HA THR A 22 -19.853 -18.795 -1.857 1.00 12.11 H new ATOM 0 HB THR A 22 -20.492 -17.968 -4.108 1.00 62.44 H new ATOM 0 HG1 THR A 22 -17.920 -18.820 -4.686 1.00 4.31 H new ATOM 0 HG21 THR A 22 -19.364 -15.769 -4.023 1.00 62.20 H new ATOM 0 HG22 THR A 22 -19.852 -16.318 -2.402 1.00 62.20 H new ATOM 0 HG23 THR A 22 -18.150 -16.439 -2.906 1.00 62.20 H new ATOM 381 N GLY A 23 -18.513 -21.137 -3.644 1.00 24.54 N ATOM 382 CA GLY A 23 -18.705 -22.508 -4.118 1.00 31.01 C ATOM 383 C GLY A 23 -19.060 -22.603 -5.600 1.00 14.15 C ATOM 384 O GLY A 23 -19.892 -23.424 -5.997 1.00 13.20 O ATOM 0 H GLY A 23 -17.539 -20.835 -3.612 1.00 24.54 H new ATOM 0 HA2 GLY A 23 -17.793 -23.077 -3.935 1.00 31.01 H new ATOM 0 HA3 GLY A 23 -19.496 -22.977 -3.533 1.00 31.01 H new ATOM 541 N GLY A 34 -3.230 -10.001 -18.030 1.00 31.23 N ATOM 542 CA GLY A 34 -4.139 -10.747 -18.893 1.00 14.52 C ATOM 543 C GLY A 34 -3.806 -12.234 -18.973 1.00 60.35 C ATOM 544 O GLY A 34 -4.207 -13.016 -18.109 1.00 13.53 O ATOM 0 HA2 GLY A 34 -5.158 -10.629 -18.525 1.00 14.52 H new ATOM 0 HA3 GLY A 34 -4.110 -10.320 -19.896 1.00 14.52 H new ATOM 548 N ALA A 35 -3.048 -12.619 -20.001 1.00 4.45 N ATOM 549 CA ALA A 35 -2.760 -14.034 -20.277 1.00 25.24 C ATOM 550 C ALA A 35 -2.141 -14.766 -19.076 1.00 42.44 C ATOM 551 O ALA A 35 -2.621 -15.830 -18.683 1.00 32.22 O ATOM 552 CB ALA A 35 -1.846 -14.155 -21.492 1.00 65.42 C ATOM 0 H ALA A 35 -2.619 -11.970 -20.661 1.00 4.45 H new ATOM 0 HA ALA A 35 -3.716 -14.516 -20.482 1.00 25.24 H new ATOM 0 HB1 ALA A 35 -1.639 -15.207 -21.688 1.00 65.42 H new ATOM 0 HB2 ALA A 35 -2.335 -13.714 -22.360 1.00 65.42 H new ATOM 0 HB3 ALA A 35 -0.910 -13.631 -21.297 1.00 65.42 H new ATOM 558 N THR A 36 -1.093 -14.187 -18.482 1.00 73.54 N ATOM 559 CA THR A 36 -0.382 -14.830 -17.360 1.00 32.33 C ATOM 560 C THR A 36 -1.335 -15.198 -16.216 1.00 13.13 C ATOM 561 O THR A 36 -1.399 -16.353 -15.791 1.00 14.50 O ATOM 562 CB THR A 36 0.737 -13.922 -16.783 1.00 31.11 C ATOM 563 OG1 THR A 36 1.760 -13.688 -17.763 1.00 42.35 O ATOM 564 CG2 THR A 36 1.365 -14.539 -15.536 1.00 4.31 C ATOM 0 H THR A 36 -0.716 -13.279 -18.754 1.00 73.54 H new ATOM 0 HA THR A 36 0.061 -15.735 -17.774 1.00 32.33 H new ATOM 0 HB THR A 36 0.274 -12.973 -16.511 1.00 31.11 H new ATOM 0 HG1 THR A 36 2.582 -14.148 -17.494 1.00 42.35 H new ATOM 0 HG21 THR A 36 2.145 -13.879 -15.157 1.00 4.31 H new ATOM 0 HG22 THR A 36 0.600 -14.673 -14.772 1.00 4.31 H new ATOM 0 HG23 THR A 36 1.800 -15.506 -15.788 1.00 4.31 H new ATOM 572 N SER A 37 -2.088 -14.218 -15.736 1.00 12.03 N ATOM 573 CA SER A 37 -3.001 -14.427 -14.607 1.00 24.42 C ATOM 574 C SER A 37 -4.217 -15.269 -15.005 1.00 12.34 C ATOM 575 O SER A 37 -4.754 -16.023 -14.192 1.00 24.31 O ATOM 576 CB SER A 37 -3.457 -13.083 -14.035 1.00 45.23 C ATOM 577 OG SER A 37 -2.352 -12.346 -13.537 1.00 72.43 O ATOM 0 H SER A 37 -2.089 -13.268 -16.107 1.00 12.03 H new ATOM 0 HA SER A 37 -2.453 -14.977 -13.842 1.00 24.42 H new ATOM 0 HB2 SER A 37 -3.965 -12.507 -14.809 1.00 45.23 H new ATOM 0 HB3 SER A 37 -4.179 -13.249 -13.235 1.00 45.23 H new ATOM 0 HG SER A 37 -2.375 -11.436 -13.901 1.00 72.43 H new ATOM 583 N ARG A 38 -4.641 -15.148 -16.259 1.00 23.12 N ATOM 584 CA ARG A 38 -5.779 -15.916 -16.768 1.00 22.53 C ATOM 585 C ARG A 38 -5.485 -17.429 -16.763 1.00 64.33 C ATOM 586 O ARG A 38 -6.302 -18.228 -16.293 1.00 60.43 O ATOM 587 CB ARG A 38 -6.146 -15.443 -18.185 1.00 51.34 C ATOM 588 CG ARG A 38 -7.346 -16.168 -18.782 1.00 65.31 C ATOM 589 CD ARG A 38 -8.569 -16.078 -17.872 1.00 11.13 C ATOM 590 NE ARG A 38 -9.686 -16.873 -18.370 1.00 50.42 N ATOM 591 CZ ARG A 38 -9.740 -18.176 -18.316 1.00 62.11 C ATOM 592 NH1 ARG A 38 -8.749 -18.863 -17.842 1.00 40.04 N ATOM 593 NH2 ARG A 38 -10.789 -18.793 -18.746 1.00 43.42 N ATOM 0 H ARG A 38 -4.215 -14.525 -16.945 1.00 23.12 H new ATOM 0 HA ARG A 38 -6.627 -15.742 -16.105 1.00 22.53 H new ATOM 0 HB2 ARG A 38 -6.355 -14.374 -18.159 1.00 51.34 H new ATOM 0 HB3 ARG A 38 -5.286 -15.583 -18.839 1.00 51.34 H new ATOM 0 HG2 ARG A 38 -7.584 -15.738 -19.755 1.00 65.31 H new ATOM 0 HG3 ARG A 38 -7.093 -17.215 -18.949 1.00 65.31 H new ATOM 0 HD2 ARG A 38 -8.301 -16.418 -16.872 1.00 11.13 H new ATOM 0 HD3 ARG A 38 -8.878 -15.036 -17.783 1.00 11.13 H new ATOM 0 HE ARG A 38 -10.475 -16.379 -18.787 1.00 50.42 H new ATOM 0 HH11 ARG A 38 -7.913 -18.386 -17.505 1.00 40.04 H new ATOM 0 HH12 ARG A 38 -8.805 -19.881 -17.806 1.00 40.04 H new ATOM 0 HH21 ARG A 38 -11.573 -18.262 -19.127 1.00 43.42 H new ATOM 0 HH22 ARG A 38 -10.834 -19.811 -18.705 1.00 43.42 H new ATOM 607 N LYS A 39 -4.318 -17.817 -17.284 1.00 60.05 N ATOM 608 CA LYS A 39 -3.902 -19.227 -17.306 1.00 5.33 C ATOM 609 C LYS A 39 -3.427 -19.695 -15.917 1.00 12.50 C ATOM 610 O LYS A 39 -3.529 -20.877 -15.582 1.00 54.12 O ATOM 611 CB LYS A 39 -2.808 -19.436 -18.371 1.00 65.20 C ATOM 612 CG LYS A 39 -1.501 -18.689 -18.096 1.00 21.32 C ATOM 613 CD LYS A 39 -0.802 -18.256 -19.388 1.00 63.33 C ATOM 614 CE LYS A 39 -0.497 -19.425 -20.320 1.00 43.11 C ATOM 615 NZ LYS A 39 0.519 -20.342 -19.750 1.00 4.40 N ATOM 0 H LYS A 39 -3.642 -17.175 -17.698 1.00 60.05 H new ATOM 0 HA LYS A 39 -4.765 -19.837 -17.571 1.00 5.33 H new ATOM 0 HB2 LYS A 39 -2.593 -20.502 -18.448 1.00 65.20 H new ATOM 0 HB3 LYS A 39 -3.196 -19.119 -19.339 1.00 65.20 H new ATOM 0 HG2 LYS A 39 -1.708 -17.811 -17.484 1.00 21.32 H new ATOM 0 HG3 LYS A 39 -0.833 -19.329 -17.520 1.00 21.32 H new ATOM 0 HD2 LYS A 39 -1.431 -17.536 -19.911 1.00 63.33 H new ATOM 0 HD3 LYS A 39 0.128 -17.745 -19.138 1.00 63.33 H new ATOM 0 HE2 LYS A 39 -1.414 -19.979 -20.518 1.00 43.11 H new ATOM 0 HE3 LYS A 39 -0.143 -19.042 -21.277 1.00 43.11 H new ATOM 0 HZ1 LYS A 39 1.335 -20.398 -20.392 1.00 4.40 H new ATOM 0 HZ2 LYS A 39 0.830 -19.983 -18.825 1.00 4.40 H new ATOM 0 HZ3 LYS A 39 0.105 -21.289 -19.633 1.00 4.40 H new ATOM 629 N ALA A 40 -2.915 -18.764 -15.107 1.00 61.01 N ATOM 630 CA ALA A 40 -2.531 -19.066 -13.723 1.00 61.22 C ATOM 631 C ALA A 40 -3.761 -19.430 -12.879 1.00 60.02 C ATOM 632 O ALA A 40 -3.798 -20.480 -12.238 1.00 10.22 O ATOM 633 CB ALA A 40 -1.792 -17.884 -13.106 1.00 43.35 C ATOM 0 H ALA A 40 -2.756 -17.795 -15.384 1.00 61.01 H new ATOM 0 HA ALA A 40 -1.862 -19.927 -13.736 1.00 61.22 H new ATOM 0 HB1 ALA A 40 -1.514 -18.124 -12.080 1.00 43.35 H new ATOM 0 HB2 ALA A 40 -0.893 -17.674 -13.686 1.00 43.35 H new ATOM 0 HB3 ALA A 40 -2.440 -17.007 -13.111 1.00 43.35 H new ATOM 639 N LEU A 41 -4.771 -18.560 -12.896 1.00 63.03 N ATOM 640 CA LEU A 41 -6.033 -18.814 -12.189 1.00 70.42 C ATOM 641 C LEU A 41 -6.724 -20.075 -12.739 1.00 41.34 C ATOM 642 O LEU A 41 -7.313 -20.860 -11.989 1.00 33.22 O ATOM 643 CB LEU A 41 -6.965 -17.601 -12.324 1.00 63.13 C ATOM 644 CG LEU A 41 -8.303 -17.703 -11.568 1.00 11.35 C ATOM 645 CD1 LEU A 41 -8.064 -17.839 -10.065 1.00 74.34 C ATOM 646 CD2 LEU A 41 -9.189 -16.494 -11.872 1.00 73.20 C ATOM 0 H LEU A 41 -4.742 -17.669 -13.393 1.00 63.03 H new ATOM 0 HA LEU A 41 -5.809 -18.978 -11.135 1.00 70.42 H new ATOM 0 HB2 LEU A 41 -6.435 -16.717 -11.970 1.00 63.13 H new ATOM 0 HB3 LEU A 41 -7.177 -17.444 -13.382 1.00 63.13 H new ATOM 0 HG LEU A 41 -8.823 -18.598 -11.911 1.00 11.35 H new ATOM 0 HD11 LEU A 41 -9.022 -17.910 -9.549 1.00 74.34 H new ATOM 0 HD12 LEU A 41 -7.479 -18.738 -9.869 1.00 74.34 H new ATOM 0 HD13 LEU A 41 -7.520 -16.967 -9.703 1.00 74.34 H new ATOM 0 HD21 LEU A 41 -10.129 -16.586 -11.328 1.00 73.20 H new ATOM 0 HD22 LEU A 41 -8.679 -15.582 -11.563 1.00 73.20 H new ATOM 0 HD23 LEU A 41 -9.392 -16.451 -12.942 1.00 73.20 H new ATOM 658 N GLU A 42 -6.643 -20.256 -14.059 1.00 60.44 N ATOM 659 CA GLU A 42 -7.183 -21.447 -14.726 1.00 0.25 C ATOM 660 C GLU A 42 -6.506 -22.724 -14.198 1.00 2.04 C ATOM 661 O GLU A 42 -7.154 -23.750 -13.985 1.00 64.03 O ATOM 662 CB GLU A 42 -6.974 -21.331 -16.245 1.00 63.44 C ATOM 663 CG GLU A 42 -7.706 -22.388 -17.065 1.00 51.25 C ATOM 664 CD GLU A 42 -9.218 -22.267 -16.961 1.00 51.22 C ATOM 665 OE1 GLU A 42 -9.787 -21.340 -17.575 1.00 44.12 O ATOM 666 OE2 GLU A 42 -9.848 -23.091 -16.267 1.00 14.00 O ATOM 0 H GLU A 42 -6.205 -19.588 -14.693 1.00 60.44 H new ATOM 0 HA GLU A 42 -8.250 -21.511 -14.511 1.00 0.25 H new ATOM 0 HB2 GLU A 42 -7.303 -20.344 -16.570 1.00 63.44 H new ATOM 0 HB3 GLU A 42 -5.907 -21.398 -16.459 1.00 63.44 H new ATOM 0 HG2 GLU A 42 -7.410 -22.301 -18.110 1.00 51.25 H new ATOM 0 HG3 GLU A 42 -7.401 -23.379 -16.729 1.00 51.25 H new ATOM 673 N THR A 43 -5.194 -22.647 -13.987 1.00 41.43 N ATOM 674 CA THR A 43 -4.435 -23.765 -13.411 1.00 13.41 C ATOM 675 C THR A 43 -4.793 -23.976 -11.931 1.00 33.44 C ATOM 676 O THR A 43 -5.025 -25.105 -11.495 1.00 73.11 O ATOM 677 CB THR A 43 -2.905 -23.543 -13.542 1.00 74.14 C ATOM 678 OG1 THR A 43 -2.535 -23.468 -14.929 1.00 62.22 O ATOM 679 CG2 THR A 43 -2.111 -24.663 -12.866 1.00 63.03 C ATOM 0 H THR A 43 -4.631 -21.825 -14.205 1.00 41.43 H new ATOM 0 HA THR A 43 -4.710 -24.656 -13.976 1.00 13.41 H new ATOM 0 HB THR A 43 -2.666 -22.605 -13.042 1.00 74.14 H new ATOM 0 HG1 THR A 43 -2.823 -22.607 -15.298 1.00 62.22 H new ATOM 0 HG21 THR A 43 -1.044 -24.472 -12.979 1.00 63.03 H new ATOM 0 HG22 THR A 43 -2.363 -24.699 -11.806 1.00 63.03 H new ATOM 0 HG23 THR A 43 -2.360 -25.617 -13.331 1.00 63.03 H new ATOM 687 N LEU A 44 -4.850 -22.879 -11.170 1.00 42.22 N ATOM 688 CA LEU A 44 -5.180 -22.928 -9.735 1.00 12.52 C ATOM 689 C LEU A 44 -6.506 -23.654 -9.461 1.00 4.01 C ATOM 690 O LEU A 44 -6.581 -24.493 -8.569 1.00 22.32 O ATOM 691 CB LEU A 44 -5.234 -21.509 -9.144 1.00 31.13 C ATOM 692 CG LEU A 44 -3.868 -20.850 -8.886 1.00 44.51 C ATOM 693 CD1 LEU A 44 -4.042 -19.404 -8.430 1.00 72.21 C ATOM 694 CD2 LEU A 44 -3.075 -21.646 -7.851 1.00 72.21 C ATOM 0 H LEU A 44 -4.671 -21.939 -11.523 1.00 42.22 H new ATOM 0 HA LEU A 44 -4.386 -23.497 -9.251 1.00 12.52 H new ATOM 0 HB2 LEU A 44 -5.803 -20.873 -9.822 1.00 31.13 H new ATOM 0 HB3 LEU A 44 -5.784 -21.546 -8.204 1.00 31.13 H new ATOM 0 HG LEU A 44 -3.309 -20.848 -9.822 1.00 44.51 H new ATOM 0 HD11 LEU A 44 -3.063 -18.958 -8.253 1.00 72.21 H new ATOM 0 HD12 LEU A 44 -4.564 -18.839 -9.202 1.00 72.21 H new ATOM 0 HD13 LEU A 44 -4.623 -19.381 -7.508 1.00 72.21 H new ATOM 0 HD21 LEU A 44 -2.112 -21.165 -7.682 1.00 72.21 H new ATOM 0 HD22 LEU A 44 -3.632 -21.682 -6.915 1.00 72.21 H new ATOM 0 HD23 LEU A 44 -2.914 -22.660 -8.217 1.00 72.21 H new ATOM 706 N ARG A 45 -7.550 -23.334 -10.222 1.00 13.44 N ATOM 707 CA ARG A 45 -8.855 -23.977 -10.021 1.00 41.05 C ATOM 708 C ARG A 45 -8.798 -25.482 -10.348 1.00 1.42 C ATOM 709 O ARG A 45 -9.469 -26.291 -9.701 1.00 11.44 O ATOM 710 CB ARG A 45 -9.946 -23.288 -10.859 1.00 73.12 C ATOM 711 CG ARG A 45 -9.734 -23.384 -12.366 1.00 61.01 C ATOM 712 CD ARG A 45 -10.882 -22.756 -13.148 1.00 13.43 C ATOM 713 NE ARG A 45 -11.005 -21.316 -12.907 1.00 72.21 N ATOM 714 CZ ARG A 45 -11.123 -20.424 -13.856 1.00 31.30 C ATOM 715 NH1 ARG A 45 -11.077 -20.783 -15.100 1.00 23.42 N ATOM 716 NH2 ARG A 45 -11.271 -19.170 -13.556 1.00 70.44 N ATOM 0 H ARG A 45 -7.524 -22.645 -10.973 1.00 13.44 H new ATOM 0 HA ARG A 45 -9.110 -23.870 -8.967 1.00 41.05 H new ATOM 0 HB2 ARG A 45 -10.911 -23.729 -10.611 1.00 73.12 H new ATOM 0 HB3 ARG A 45 -9.994 -22.236 -10.577 1.00 73.12 H new ATOM 0 HG2 ARG A 45 -8.801 -22.888 -12.633 1.00 61.01 H new ATOM 0 HG3 ARG A 45 -9.632 -24.431 -12.651 1.00 61.01 H new ATOM 0 HD2 ARG A 45 -10.730 -22.931 -14.213 1.00 13.43 H new ATOM 0 HD3 ARG A 45 -11.815 -23.248 -12.874 1.00 13.43 H new ATOM 0 HE ARG A 45 -10.998 -20.990 -11.941 1.00 72.21 H new ATOM 0 HH11 ARG A 45 -10.948 -21.765 -15.343 1.00 23.42 H new ATOM 0 HH12 ARG A 45 -11.170 -20.083 -15.836 1.00 23.42 H new ATOM 0 HH21 ARG A 45 -11.295 -18.879 -12.579 1.00 70.44 H new ATOM 0 HH22 ARG A 45 -11.363 -18.476 -14.297 1.00 70.44 H new ATOM 730 N ARG A 46 -7.981 -25.853 -11.339 1.00 64.31 N ATOM 731 CA ARG A 46 -7.843 -27.258 -11.748 1.00 23.32 C ATOM 732 C ARG A 46 -7.048 -28.081 -10.719 1.00 63.30 C ATOM 733 O ARG A 46 -7.429 -29.203 -10.382 1.00 43.32 O ATOM 734 CB ARG A 46 -7.161 -27.358 -13.123 1.00 64.21 C ATOM 735 CG ARG A 46 -6.918 -28.798 -13.567 1.00 72.44 C ATOM 736 CD ARG A 46 -6.166 -28.889 -14.891 1.00 22.33 C ATOM 737 NE ARG A 46 -5.799 -30.270 -15.195 1.00 74.41 N ATOM 738 CZ ARG A 46 -5.280 -30.675 -16.323 1.00 25.51 C ATOM 739 NH1 ARG A 46 -5.093 -29.854 -17.309 1.00 54.23 N ATOM 740 NH2 ARG A 46 -4.962 -31.918 -16.463 1.00 73.05 N ATOM 0 H ARG A 46 -7.405 -25.202 -11.873 1.00 64.31 H new ATOM 0 HA ARG A 46 -8.850 -27.672 -11.810 1.00 23.32 H new ATOM 0 HB2 ARG A 46 -7.779 -26.854 -13.866 1.00 64.21 H new ATOM 0 HB3 ARG A 46 -6.209 -26.829 -13.089 1.00 64.21 H new ATOM 0 HG2 ARG A 46 -6.352 -29.321 -12.796 1.00 72.44 H new ATOM 0 HG3 ARG A 46 -7.875 -29.311 -13.662 1.00 72.44 H new ATOM 0 HD2 ARG A 46 -6.787 -28.490 -15.693 1.00 22.33 H new ATOM 0 HD3 ARG A 46 -5.268 -28.273 -14.846 1.00 22.33 H new ATOM 0 HE ARG A 46 -5.960 -30.971 -14.472 1.00 74.41 H new ATOM 0 HH11 ARG A 46 -5.353 -28.872 -17.212 1.00 54.23 H new ATOM 0 HH12 ARG A 46 -4.686 -30.190 -18.182 1.00 54.23 H new ATOM 0 HH21 ARG A 46 -5.117 -32.573 -15.697 1.00 73.05 H new ATOM 0 HH22 ARG A 46 -4.556 -32.245 -17.340 1.00 73.05 H new ATOM 754 N VAL A 47 -5.933 -27.533 -10.234 1.00 31.12 N ATOM 755 CA VAL A 47 -5.104 -28.236 -9.246 1.00 1.42 C ATOM 756 C VAL A 47 -5.694 -28.112 -7.831 1.00 32.32 C ATOM 757 O VAL A 47 -5.619 -29.046 -7.033 1.00 71.15 O ATOM 758 CB VAL A 47 -3.636 -27.722 -9.249 1.00 54.20 C ATOM 759 CG1 VAL A 47 -2.991 -27.936 -10.619 1.00 74.13 C ATOM 760 CG2 VAL A 47 -3.561 -26.249 -8.839 1.00 23.32 C ATOM 0 H VAL A 47 -5.583 -26.614 -10.504 1.00 31.12 H new ATOM 0 HA VAL A 47 -5.099 -29.287 -9.536 1.00 1.42 H new ATOM 0 HB VAL A 47 -3.079 -28.301 -8.512 1.00 54.20 H new ATOM 0 HG11 VAL A 47 -1.965 -27.570 -10.599 1.00 74.13 H new ATOM 0 HG12 VAL A 47 -2.992 -28.999 -10.860 1.00 74.13 H new ATOM 0 HG13 VAL A 47 -3.556 -27.392 -11.376 1.00 74.13 H new ATOM 0 HG21 VAL A 47 -2.522 -25.920 -8.851 1.00 23.32 H new ATOM 0 HG22 VAL A 47 -4.140 -25.647 -9.539 1.00 23.32 H new ATOM 0 HG23 VAL A 47 -3.968 -26.130 -7.835 1.00 23.32 H new ATOM 770 N GLY A 48 -6.312 -26.968 -7.545 1.00 53.30 N ATOM 771 CA GLY A 48 -6.927 -26.740 -6.242 1.00 52.32 C ATOM 772 C GLY A 48 -8.118 -27.653 -5.982 1.00 22.51 C ATOM 773 O GLY A 48 -8.299 -28.141 -4.866 1.00 35.04 O ATOM 0 H GLY A 48 -6.399 -26.188 -8.196 1.00 53.30 H new ATOM 0 HA2 GLY A 48 -6.181 -26.893 -5.462 1.00 52.32 H new ATOM 0 HA3 GLY A 48 -7.250 -25.701 -6.175 1.00 52.32 H new ATOM 777 N ASP A 49 -8.931 -27.888 -7.016 1.00 45.21 N ATOM 778 CA ASP A 49 -10.048 -28.834 -6.927 1.00 50.43 C ATOM 779 C ASP A 49 -9.588 -30.198 -6.374 1.00 23.10 C ATOM 780 O ASP A 49 -10.237 -30.781 -5.503 1.00 10.01 O ATOM 781 CB ASP A 49 -10.685 -29.010 -8.309 1.00 72.35 C ATOM 782 CG ASP A 49 -11.691 -30.145 -8.340 1.00 64.13 C ATOM 783 OD1 ASP A 49 -12.734 -30.042 -7.661 1.00 2.31 O ATOM 784 OD2 ASP A 49 -11.434 -31.153 -9.033 1.00 51.00 O ATOM 0 H ASP A 49 -8.837 -27.436 -7.925 1.00 45.21 H new ATOM 0 HA ASP A 49 -10.786 -28.428 -6.235 1.00 50.43 H new ATOM 0 HB2 ASP A 49 -11.178 -28.083 -8.600 1.00 72.35 H new ATOM 0 HB3 ASP A 49 -9.904 -29.200 -9.045 1.00 72.35 H new ATOM 789 N GLY A 50 -8.470 -30.700 -6.891 1.00 14.55 N ATOM 790 CA GLY A 50 -7.911 -31.953 -6.397 1.00 52.24 C ATOM 791 C GLY A 50 -7.257 -31.814 -5.024 1.00 55.24 C ATOM 792 O GLY A 50 -7.568 -32.570 -4.099 1.00 61.12 O ATOM 0 H GLY A 50 -7.938 -30.263 -7.644 1.00 14.55 H new ATOM 0 HA2 GLY A 50 -8.702 -32.701 -6.343 1.00 52.24 H new ATOM 0 HA3 GLY A 50 -7.173 -32.321 -7.109 1.00 52.24 H new ATOM 796 N VAL A 51 -6.366 -30.829 -4.888 1.00 50.11 N ATOM 797 CA VAL A 51 -5.608 -30.614 -3.647 1.00 10.35 C ATOM 798 C VAL A 51 -6.526 -30.400 -2.429 1.00 10.20 C ATOM 799 O VAL A 51 -6.407 -31.100 -1.422 1.00 13.50 O ATOM 800 CB VAL A 51 -4.640 -29.404 -3.786 1.00 45.02 C ATOM 801 CG1 VAL A 51 -3.976 -29.062 -2.452 1.00 20.24 C ATOM 802 CG2 VAL A 51 -3.580 -29.685 -4.852 1.00 32.45 C ATOM 0 H VAL A 51 -6.149 -30.161 -5.627 1.00 50.11 H new ATOM 0 HA VAL A 51 -5.030 -31.523 -3.479 1.00 10.35 H new ATOM 0 HB VAL A 51 -5.230 -28.542 -4.096 1.00 45.02 H new ATOM 0 HG11 VAL A 51 -3.307 -28.212 -2.586 1.00 20.24 H new ATOM 0 HG12 VAL A 51 -4.742 -28.809 -1.719 1.00 20.24 H new ATOM 0 HG13 VAL A 51 -3.406 -29.921 -2.099 1.00 20.24 H new ATOM 0 HG21 VAL A 51 -2.912 -28.828 -4.936 1.00 32.45 H new ATOM 0 HG22 VAL A 51 -3.005 -30.567 -4.570 1.00 32.45 H new ATOM 0 HG23 VAL A 51 -4.067 -29.861 -5.811 1.00 32.45 H new ATOM 812 N GLN A 52 -7.449 -29.449 -2.532 1.00 53.03 N ATOM 813 CA GLN A 52 -8.350 -29.121 -1.421 1.00 64.35 C ATOM 814 C GLN A 52 -9.205 -30.324 -0.992 1.00 24.35 C ATOM 815 O GLN A 52 -9.331 -30.606 0.197 1.00 31.24 O ATOM 816 CB GLN A 52 -9.252 -27.937 -1.802 1.00 10.54 C ATOM 817 CG GLN A 52 -8.504 -26.610 -1.910 1.00 11.13 C ATOM 818 CD GLN A 52 -9.379 -25.450 -2.361 1.00 34.42 C ATOM 819 OE1 GLN A 52 -8.906 -24.511 -2.991 1.00 60.14 O ATOM 820 NE2 GLN A 52 -10.658 -25.502 -2.050 1.00 32.12 N ATOM 0 H GLN A 52 -7.597 -28.889 -3.372 1.00 53.03 H new ATOM 0 HA GLN A 52 -7.729 -28.845 -0.569 1.00 64.35 H new ATOM 0 HB2 GLN A 52 -9.735 -28.151 -2.755 1.00 10.54 H new ATOM 0 HB3 GLN A 52 -10.043 -27.839 -1.058 1.00 10.54 H new ATOM 0 HG2 GLN A 52 -8.068 -26.369 -0.941 1.00 11.13 H new ATOM 0 HG3 GLN A 52 -7.678 -26.725 -2.612 1.00 11.13 H new ATOM 0 HE21 GLN A 52 -11.023 -26.296 -1.525 1.00 32.12 H new ATOM 0 HE22 GLN A 52 -11.283 -24.748 -2.334 1.00 32.12 H new ATOM 829 N ARG A 53 -9.768 -31.047 -1.960 1.00 23.52 N ATOM 830 CA ARG A 53 -10.674 -32.162 -1.654 1.00 53.12 C ATOM 831 C ARG A 53 -9.972 -33.332 -0.929 1.00 2.12 C ATOM 832 O ARG A 53 -10.587 -33.998 -0.094 1.00 74.11 O ATOM 833 CB ARG A 53 -11.394 -32.649 -2.923 1.00 14.34 C ATOM 834 CG ARG A 53 -12.452 -31.664 -3.421 1.00 10.13 C ATOM 835 CD ARG A 53 -13.339 -32.263 -4.511 1.00 22.31 C ATOM 836 NE ARG A 53 -12.645 -32.419 -5.790 1.00 32.03 N ATOM 837 CZ ARG A 53 -12.873 -33.394 -6.629 1.00 14.33 C ATOM 838 NH1 ARG A 53 -13.692 -34.351 -6.318 1.00 54.32 N ATOM 839 NH2 ARG A 53 -12.283 -33.408 -7.781 1.00 42.32 N ATOM 0 H ARG A 53 -9.617 -30.885 -2.956 1.00 23.52 H new ATOM 0 HA ARG A 53 -11.418 -31.774 -0.958 1.00 53.12 H new ATOM 0 HB2 ARG A 53 -10.659 -32.814 -3.711 1.00 14.34 H new ATOM 0 HB3 ARG A 53 -11.866 -33.610 -2.721 1.00 14.34 H new ATOM 0 HG2 ARG A 53 -13.074 -31.349 -2.583 1.00 10.13 H new ATOM 0 HG3 ARG A 53 -11.960 -30.771 -3.807 1.00 10.13 H new ATOM 0 HD2 ARG A 53 -13.704 -33.235 -4.181 1.00 22.31 H new ATOM 0 HD3 ARG A 53 -14.212 -31.626 -4.653 1.00 22.31 H new ATOM 0 HE ARG A 53 -11.941 -31.725 -6.041 1.00 32.03 H new ATOM 0 HH11 ARG A 53 -14.163 -34.345 -5.413 1.00 54.32 H new ATOM 0 HH12 ARG A 53 -13.865 -35.109 -6.978 1.00 54.32 H new ATOM 0 HH21 ARG A 53 -11.640 -32.658 -8.034 1.00 42.32 H new ATOM 0 HH22 ARG A 53 -12.461 -34.169 -8.436 1.00 42.32 H new ATOM 853 N ASN A 54 -8.697 -33.599 -1.229 1.00 63.43 N ATOM 854 CA ASN A 54 -7.967 -34.655 -0.499 1.00 31.03 C ATOM 855 C ASN A 54 -7.373 -34.110 0.818 1.00 0.21 C ATOM 856 O ASN A 54 -7.301 -34.819 1.823 1.00 72.12 O ATOM 857 CB ASN A 54 -6.872 -35.299 -1.366 1.00 44.20 C ATOM 858 CG ASN A 54 -5.660 -34.411 -1.585 1.00 61.12 C ATOM 859 OD1 ASN A 54 -5.624 -33.713 -2.695 1.00 64.22 O flip ATOM 860 ND2 ASN A 54 -4.748 -34.370 -0.767 1.00 74.42 N flip ATOM 0 H ASN A 54 -8.157 -33.118 -1.949 1.00 63.43 H new ATOM 0 HA ASN A 54 -8.689 -35.433 -0.253 1.00 31.03 H new ATOM 0 HB2 ASN A 54 -6.549 -36.228 -0.896 1.00 44.20 H new ATOM 0 HB3 ASN A 54 -7.297 -35.563 -2.334 1.00 44.20 H new ATOM 0 HD21 ASN A 54 -4.804 -34.924 0.088 1.00 74.42 H new ATOM 0 HD22 ASN A 54 -3.933 -33.782 -0.941 1.00 74.42 H new ATOM 867 N HIS A 55 -6.959 -32.843 0.801 1.00 1.32 N ATOM 868 CA HIS A 55 -6.424 -32.167 1.995 1.00 24.44 C ATOM 869 C HIS A 55 -7.531 -31.779 2.988 1.00 63.45 C ATOM 870 O HIS A 55 -7.251 -31.512 4.156 1.00 12.25 O ATOM 871 CB HIS A 55 -5.611 -30.925 1.606 1.00 20.10 C ATOM 872 CG HIS A 55 -4.235 -31.235 1.099 1.00 0.43 C ATOM 873 ND1 HIS A 55 -3.800 -31.631 -0.118 1.00 2.11 N flip ATOM 874 CD2 HIS A 55 -3.109 -31.142 1.886 1.00 72.31 C flip ATOM 875 CE1 HIS A 55 -2.437 -31.767 -0.040 1.00 41.42 C flip ATOM 876 NE2 HIS A 55 -2.049 -31.464 1.179 1.00 0.02 N flip ATOM 0 H HIS A 55 -6.982 -32.255 -0.032 1.00 1.32 H new ATOM 0 HA HIS A 55 -5.767 -32.882 2.491 1.00 24.44 H new ATOM 0 HB2 HIS A 55 -6.154 -30.372 0.839 1.00 20.10 H new ATOM 0 HB3 HIS A 55 -5.529 -30.270 2.473 1.00 20.10 H new ATOM 0 HD1 HIS A 55 -4.378 -31.798 -0.942 1.00 2.11 H new ATOM 0 HD2 HIS A 55 -3.099 -30.849 2.925 1.00 72.31 H new ATOM 0 HE1 HIS A 55 -1.789 -32.073 -0.848 1.00 41.42 H new ATOM 885 N GLU A 56 -8.776 -31.743 2.515 1.00 35.44 N ATOM 886 CA GLU A 56 -9.919 -31.277 3.319 1.00 55.45 C ATOM 887 C GLU A 56 -9.954 -31.909 4.720 1.00 73.44 C ATOM 888 O GLU A 56 -9.975 -31.197 5.725 1.00 43.31 O ATOM 889 CB GLU A 56 -11.233 -31.593 2.585 1.00 14.04 C ATOM 890 CG GLU A 56 -12.486 -31.359 3.424 1.00 22.23 C ATOM 891 CD GLU A 56 -13.773 -31.657 2.668 1.00 51.20 C ATOM 892 OE1 GLU A 56 -14.074 -32.847 2.440 1.00 10.30 O ATOM 893 OE2 GLU A 56 -14.500 -30.703 2.324 1.00 72.45 O ATOM 0 H GLU A 56 -9.026 -32.033 1.570 1.00 35.44 H new ATOM 0 HA GLU A 56 -9.802 -30.201 3.448 1.00 55.45 H new ATOM 0 HB2 GLU A 56 -11.291 -30.980 1.686 1.00 14.04 H new ATOM 0 HB3 GLU A 56 -11.215 -32.634 2.261 1.00 14.04 H new ATOM 0 HG2 GLU A 56 -12.442 -31.985 4.315 1.00 22.23 H new ATOM 0 HG3 GLU A 56 -12.502 -30.323 3.762 1.00 22.23 H new ATOM 900 N THR A 57 -9.946 -33.236 4.789 1.00 22.22 N ATOM 901 CA THR A 57 -9.976 -33.936 6.084 1.00 51.11 C ATOM 902 C THR A 57 -8.780 -33.555 6.978 1.00 62.22 C ATOM 903 O THR A 57 -8.913 -33.452 8.199 1.00 31.04 O ATOM 904 CB THR A 57 -10.012 -35.472 5.904 1.00 22.41 C ATOM 905 OG1 THR A 57 -9.974 -36.119 7.185 1.00 22.51 O ATOM 906 CG2 THR A 57 -8.843 -35.959 5.051 1.00 12.50 C ATOM 0 H THR A 57 -9.919 -33.851 3.976 1.00 22.22 H new ATOM 0 HA THR A 57 -10.894 -33.615 6.577 1.00 51.11 H new ATOM 0 HB THR A 57 -10.940 -35.726 5.392 1.00 22.41 H new ATOM 0 HG1 THR A 57 -9.999 -37.091 7.061 1.00 22.51 H new ATOM 0 HG21 THR A 57 -8.897 -37.042 4.944 1.00 12.50 H new ATOM 0 HG22 THR A 57 -8.892 -35.494 4.066 1.00 12.50 H new ATOM 0 HG23 THR A 57 -7.903 -35.689 5.533 1.00 12.50 H new ATOM 914 N ALA A 58 -7.620 -33.325 6.361 1.00 61.12 N ATOM 915 CA ALA A 58 -6.410 -32.940 7.096 1.00 43.12 C ATOM 916 C ALA A 58 -6.533 -31.527 7.691 1.00 41.23 C ATOM 917 O ALA A 58 -6.340 -31.328 8.895 1.00 44.51 O ATOM 918 CB ALA A 58 -5.192 -33.027 6.182 1.00 74.11 C ATOM 0 H ALA A 58 -7.491 -33.398 5.352 1.00 61.12 H new ATOM 0 HA ALA A 58 -6.287 -33.637 7.925 1.00 43.12 H new ATOM 0 HB1 ALA A 58 -4.299 -32.739 6.737 1.00 74.11 H new ATOM 0 HB2 ALA A 58 -5.081 -34.049 5.820 1.00 74.11 H new ATOM 0 HB3 ALA A 58 -5.324 -32.355 5.334 1.00 74.11 H new ATOM 924 N PHE A 59 -6.868 -30.550 6.844 1.00 11.14 N ATOM 925 CA PHE A 59 -7.022 -29.158 7.284 1.00 12.23 C ATOM 926 C PHE A 59 -8.178 -29.002 8.285 1.00 60.54 C ATOM 927 O PHE A 59 -8.112 -28.163 9.186 1.00 43.34 O ATOM 928 CB PHE A 59 -7.242 -28.226 6.083 1.00 71.22 C ATOM 929 CG PHE A 59 -6.026 -28.032 5.211 1.00 70.12 C ATOM 930 CD1 PHE A 59 -4.769 -27.863 5.774 1.00 62.54 C ATOM 931 CD2 PHE A 59 -6.144 -28.001 3.828 1.00 72.32 C ATOM 932 CE1 PHE A 59 -3.657 -27.671 4.977 1.00 34.53 C ATOM 933 CE2 PHE A 59 -5.034 -27.806 3.028 1.00 24.54 C ATOM 934 CZ PHE A 59 -3.790 -27.642 3.602 1.00 42.22 C ATOM 0 H PHE A 59 -7.038 -30.696 5.849 1.00 11.14 H new ATOM 0 HA PHE A 59 -6.097 -28.877 7.788 1.00 12.23 H new ATOM 0 HB2 PHE A 59 -8.051 -28.626 5.472 1.00 71.22 H new ATOM 0 HB3 PHE A 59 -7.570 -27.253 6.449 1.00 71.22 H new ATOM 0 HD1 PHE A 59 -4.659 -27.882 6.848 1.00 62.54 H new ATOM 0 HD2 PHE A 59 -7.114 -28.131 3.372 1.00 72.32 H new ATOM 0 HE1 PHE A 59 -2.684 -27.544 5.428 1.00 34.53 H new ATOM 0 HE2 PHE A 59 -5.140 -27.782 1.954 1.00 24.54 H new ATOM 0 HZ PHE A 59 -2.922 -27.491 2.978 1.00 42.22 H new ATOM 944 N GLN A 60 -9.231 -29.812 8.124 1.00 35.14 N ATOM 945 CA GLN A 60 -10.363 -29.812 9.067 1.00 63.41 C ATOM 946 C GLN A 60 -9.877 -29.870 10.521 1.00 13.23 C ATOM 947 O GLN A 60 -10.335 -29.100 11.365 1.00 61.50 O ATOM 948 CB GLN A 60 -11.316 -30.992 8.788 1.00 23.21 C ATOM 949 CG GLN A 60 -12.383 -30.700 7.735 1.00 15.43 C ATOM 950 CD GLN A 60 -13.355 -29.611 8.170 1.00 4.30 C ATOM 951 OE1 GLN A 60 -13.612 -29.425 9.357 1.00 34.23 O ATOM 952 NE2 GLN A 60 -13.917 -28.900 7.217 1.00 41.24 N ATOM 0 H GLN A 60 -9.326 -30.474 7.354 1.00 35.14 H new ATOM 0 HA GLN A 60 -10.906 -28.879 8.920 1.00 63.41 H new ATOM 0 HB2 GLN A 60 -10.728 -31.851 8.464 1.00 23.21 H new ATOM 0 HB3 GLN A 60 -11.808 -31.275 9.719 1.00 23.21 H new ATOM 0 HG2 GLN A 60 -11.898 -30.399 6.806 1.00 15.43 H new ATOM 0 HG3 GLN A 60 -12.938 -31.614 7.523 1.00 15.43 H new ATOM 0 HE21 GLN A 60 -13.682 -29.079 6.241 1.00 41.24 H new ATOM 0 HE22 GLN A 60 -14.588 -28.169 7.454 1.00 41.24 H new ATOM 961 N GLY A 61 -8.936 -30.774 10.798 1.00 52.53 N ATOM 962 CA GLY A 61 -8.365 -30.886 12.136 1.00 74.11 C ATOM 963 C GLY A 61 -7.828 -29.559 12.666 1.00 45.32 C ATOM 964 O GLY A 61 -8.029 -29.218 13.832 1.00 31.30 O ATOM 0 H GLY A 61 -8.557 -31.433 10.118 1.00 52.53 H new ATOM 0 HA2 GLY A 61 -9.126 -31.263 12.820 1.00 74.11 H new ATOM 0 HA3 GLY A 61 -7.558 -31.619 12.121 1.00 74.11 H new ATOM 968 N MET A 62 -7.168 -28.800 11.795 1.00 75.31 N ATOM 969 CA MET A 62 -6.626 -27.487 12.159 1.00 0.23 C ATOM 970 C MET A 62 -7.752 -26.463 12.368 1.00 1.12 C ATOM 971 O MET A 62 -7.713 -25.658 13.298 1.00 44.02 O ATOM 972 CB MET A 62 -5.660 -27.003 11.071 1.00 50.01 C ATOM 973 CG MET A 62 -4.476 -27.937 10.857 1.00 34.21 C ATOM 974 SD MET A 62 -3.424 -27.432 9.479 1.00 21.44 S ATOM 975 CE MET A 62 -2.877 -25.817 10.034 1.00 31.13 C ATOM 0 H MET A 62 -6.993 -29.070 10.827 1.00 75.31 H new ATOM 0 HA MET A 62 -6.085 -27.586 13.100 1.00 0.23 H new ATOM 0 HB2 MET A 62 -6.204 -26.897 10.133 1.00 50.01 H new ATOM 0 HB3 MET A 62 -5.289 -26.013 11.338 1.00 50.01 H new ATOM 0 HG2 MET A 62 -3.879 -27.974 11.769 1.00 34.21 H new ATOM 0 HG3 MET A 62 -4.844 -28.947 10.676 1.00 34.21 H new ATOM 0 HE1 MET A 62 -2.027 -25.495 9.433 1.00 31.13 H new ATOM 0 HE2 MET A 62 -3.691 -25.100 9.925 1.00 31.13 H new ATOM 0 HE3 MET A 62 -2.581 -25.873 11.081 1.00 31.13 H new ATOM 985 N LEU A 63 -8.761 -26.506 11.503 1.00 24.12 N ATOM 986 CA LEU A 63 -9.929 -25.628 11.632 1.00 24.42 C ATOM 987 C LEU A 63 -10.694 -25.883 12.944 1.00 23.21 C ATOM 988 O LEU A 63 -11.352 -24.981 13.463 1.00 44.11 O ATOM 989 CB LEU A 63 -10.872 -25.785 10.425 1.00 3.45 C ATOM 990 CG LEU A 63 -10.610 -24.822 9.252 1.00 74.43 C ATOM 991 CD1 LEU A 63 -9.207 -25.012 8.682 1.00 12.41 C ATOM 992 CD2 LEU A 63 -11.671 -24.994 8.165 1.00 74.44 C ATOM 0 H LEU A 63 -8.797 -27.138 10.703 1.00 24.12 H new ATOM 0 HA LEU A 63 -9.559 -24.603 11.656 1.00 24.42 H new ATOM 0 HB2 LEU A 63 -10.796 -26.808 10.057 1.00 3.45 H new ATOM 0 HB3 LEU A 63 -11.898 -25.644 10.766 1.00 3.45 H new ATOM 0 HG LEU A 63 -10.675 -23.803 9.634 1.00 74.43 H new ATOM 0 HD11 LEU A 63 -9.053 -24.318 7.856 1.00 12.41 H new ATOM 0 HD12 LEU A 63 -8.469 -24.819 9.460 1.00 12.41 H new ATOM 0 HD13 LEU A 63 -9.096 -26.035 8.322 1.00 12.41 H new ATOM 0 HD21 LEU A 63 -11.468 -24.305 7.346 1.00 74.44 H new ATOM 0 HD22 LEU A 63 -11.647 -26.018 7.792 1.00 74.44 H new ATOM 0 HD23 LEU A 63 -12.656 -24.782 8.581 1.00 74.44 H new ATOM 1004 N ARG A 64 -10.602 -27.104 13.475 1.00 43.05 N ATOM 1005 CA ARG A 64 -11.293 -27.456 14.727 1.00 1.01 C ATOM 1006 C ARG A 64 -10.827 -26.592 15.912 1.00 23.42 C ATOM 1007 O ARG A 64 -11.576 -26.393 16.869 1.00 21.54 O ATOM 1008 CB ARG A 64 -11.116 -28.947 15.058 1.00 71.44 C ATOM 1009 CG ARG A 64 -11.623 -29.878 13.959 1.00 72.43 C ATOM 1010 CD ARG A 64 -11.867 -31.295 14.465 1.00 3.14 C ATOM 1011 NE ARG A 64 -10.680 -31.890 15.074 1.00 32.14 N ATOM 1012 CZ ARG A 64 -10.704 -32.613 16.157 1.00 73.02 C ATOM 1013 NH1 ARG A 64 -11.807 -32.782 16.818 1.00 33.42 N ATOM 1014 NH2 ARG A 64 -9.615 -33.154 16.587 1.00 61.33 N ATOM 0 H ARG A 64 -10.060 -27.865 13.064 1.00 43.05 H new ATOM 0 HA ARG A 64 -12.352 -27.254 14.566 1.00 1.01 H new ATOM 0 HB2 ARG A 64 -10.060 -29.149 15.236 1.00 71.44 H new ATOM 0 HB3 ARG A 64 -11.644 -29.171 15.985 1.00 71.44 H new ATOM 0 HG2 ARG A 64 -12.549 -29.478 13.546 1.00 72.43 H new ATOM 0 HG3 ARG A 64 -10.897 -29.905 13.146 1.00 72.43 H new ATOM 0 HD2 ARG A 64 -12.676 -31.281 15.195 1.00 3.14 H new ATOM 0 HD3 ARG A 64 -12.197 -31.921 13.636 1.00 3.14 H new ATOM 0 HE ARG A 64 -9.779 -31.730 14.624 1.00 32.14 H new ATOM 0 HH11 ARG A 64 -12.669 -32.346 16.491 1.00 33.42 H new ATOM 0 HH12 ARG A 64 -11.812 -33.351 17.665 1.00 33.42 H new ATOM 0 HH21 ARG A 64 -8.741 -33.015 16.079 1.00 61.33 H new ATOM 0 HH22 ARG A 64 -9.627 -33.721 17.435 1.00 61.33 H new ATOM 1028 N LYS A 65 -9.594 -26.085 15.854 1.00 52.23 N ATOM 1029 CA LYS A 65 -9.085 -25.177 16.898 1.00 2.52 C ATOM 1030 C LYS A 65 -9.286 -23.704 16.501 1.00 14.13 C ATOM 1031 O LYS A 65 -9.076 -22.798 17.308 1.00 45.33 O ATOM 1032 CB LYS A 65 -7.591 -25.427 17.167 1.00 20.23 C ATOM 1033 CG LYS A 65 -6.671 -24.940 16.048 1.00 24.40 C ATOM 1034 CD LYS A 65 -5.208 -24.920 16.478 1.00 21.30 C ATOM 1035 CE LYS A 65 -4.314 -24.302 15.405 1.00 13.42 C ATOM 1036 NZ LYS A 65 -2.902 -24.187 15.856 1.00 4.42 N ATOM 0 H LYS A 65 -8.930 -26.282 15.105 1.00 52.23 H new ATOM 0 HA LYS A 65 -9.653 -25.382 17.805 1.00 2.52 H new ATOM 0 HB2 LYS A 65 -7.311 -24.931 18.096 1.00 20.23 H new ATOM 0 HB3 LYS A 65 -7.432 -26.495 17.316 1.00 20.23 H new ATOM 0 HG2 LYS A 65 -6.784 -25.587 15.178 1.00 24.40 H new ATOM 0 HG3 LYS A 65 -6.972 -23.938 15.741 1.00 24.40 H new ATOM 0 HD2 LYS A 65 -5.108 -24.355 17.405 1.00 21.30 H new ATOM 0 HD3 LYS A 65 -4.876 -25.937 16.687 1.00 21.30 H new ATOM 0 HE2 LYS A 65 -4.358 -24.911 14.502 1.00 13.42 H new ATOM 0 HE3 LYS A 65 -4.692 -23.314 15.142 1.00 13.42 H new ATOM 0 HZ1 LYS A 65 -2.329 -23.763 15.099 1.00 4.42 H new ATOM 0 HZ2 LYS A 65 -2.856 -23.585 16.703 1.00 4.42 H new ATOM 0 HZ3 LYS A 65 -2.532 -25.132 16.082 1.00 4.42 H new ATOM 1050 N LEU A 66 -9.693 -23.473 15.252 1.00 30.51 N ATOM 1051 CA LEU A 66 -9.785 -22.115 14.698 1.00 15.10 C ATOM 1052 C LEU A 66 -11.240 -21.624 14.574 1.00 52.33 C ATOM 1053 O LEU A 66 -11.743 -20.919 15.453 1.00 34.13 O ATOM 1054 CB LEU A 66 -9.100 -22.065 13.321 1.00 14.14 C ATOM 1055 CG LEU A 66 -7.586 -22.336 13.321 1.00 13.54 C ATOM 1056 CD1 LEU A 66 -7.062 -22.451 11.892 1.00 35.11 C ATOM 1057 CD2 LEU A 66 -6.845 -21.237 14.082 1.00 71.22 C ATOM 0 H LEU A 66 -9.966 -24.209 14.601 1.00 30.51 H new ATOM 0 HA LEU A 66 -9.277 -21.448 15.394 1.00 15.10 H new ATOM 0 HB2 LEU A 66 -9.581 -22.794 12.669 1.00 14.14 H new ATOM 0 HB3 LEU A 66 -9.275 -21.082 12.884 1.00 14.14 H new ATOM 0 HG LEU A 66 -7.405 -23.284 13.828 1.00 13.54 H new ATOM 0 HD11 LEU A 66 -5.989 -22.643 11.912 1.00 35.11 H new ATOM 0 HD12 LEU A 66 -7.568 -23.272 11.384 1.00 35.11 H new ATOM 0 HD13 LEU A 66 -7.254 -21.520 11.358 1.00 35.11 H new ATOM 0 HD21 LEU A 66 -5.775 -21.445 14.072 1.00 71.22 H new ATOM 0 HD22 LEU A 66 -7.032 -20.275 13.605 1.00 71.22 H new ATOM 0 HD23 LEU A 66 -7.199 -21.206 15.113 1.00 71.22 H new ATOM 1069 N ASP A 67 -11.893 -21.986 13.461 1.00 24.30 N ATOM 1070 CA ASP A 67 -13.238 -21.489 13.098 1.00 64.21 C ATOM 1071 C ASP A 67 -13.266 -19.985 12.749 1.00 13.14 C ATOM 1072 O ASP A 67 -14.153 -19.536 12.030 1.00 64.32 O ATOM 1073 CB ASP A 67 -14.270 -21.811 14.187 1.00 3.34 C ATOM 1074 CG ASP A 67 -14.644 -23.282 14.196 1.00 63.24 C ATOM 1075 OD1 ASP A 67 -15.435 -23.699 13.320 1.00 25.24 O ATOM 1076 OD2 ASP A 67 -14.156 -24.027 15.068 1.00 72.13 O ATOM 0 H ASP A 67 -11.504 -22.637 12.779 1.00 24.30 H new ATOM 0 HA ASP A 67 -13.511 -22.023 12.188 1.00 64.21 H new ATOM 0 HB2 ASP A 67 -13.868 -21.533 15.161 1.00 3.34 H new ATOM 0 HB3 ASP A 67 -15.165 -21.210 14.028 1.00 3.34 H new ATOM 1081 N ILE A 68 -12.278 -19.242 13.234 1.00 71.04 N ATOM 1082 CA ILE A 68 -12.164 -17.793 13.013 1.00 64.31 C ATOM 1083 C ILE A 68 -13.387 -17.016 13.550 1.00 31.41 C ATOM 1084 O ILE A 68 -14.415 -16.880 12.879 1.00 44.34 O ATOM 1085 CB ILE A 68 -11.918 -17.434 11.517 1.00 24.31 C ATOM 1086 CG1 ILE A 68 -10.543 -17.946 11.025 1.00 51.15 C ATOM 1087 CG2 ILE A 68 -12.022 -15.920 11.300 1.00 75.32 C ATOM 1088 CD1 ILE A 68 -10.425 -19.454 10.917 1.00 11.50 C ATOM 0 H ILE A 68 -11.521 -19.627 13.799 1.00 71.04 H new ATOM 0 HA ILE A 68 -11.288 -17.482 13.582 1.00 64.31 H new ATOM 0 HB ILE A 68 -12.692 -17.932 10.932 1.00 24.31 H new ATOM 0 HG12 ILE A 68 -10.337 -17.509 10.048 1.00 51.15 H new ATOM 0 HG13 ILE A 68 -9.772 -17.584 11.705 1.00 51.15 H new ATOM 0 HG21 ILE A 68 -11.847 -15.690 10.249 1.00 75.32 H new ATOM 0 HG22 ILE A 68 -13.017 -15.579 11.585 1.00 75.32 H new ATOM 0 HG23 ILE A 68 -11.276 -15.413 11.911 1.00 75.32 H new ATOM 0 HD11 ILE A 68 -9.427 -19.717 10.565 1.00 11.50 H new ATOM 0 HD12 ILE A 68 -10.594 -19.903 11.896 1.00 11.50 H new ATOM 0 HD13 ILE A 68 -11.168 -19.828 10.213 1.00 11.50 H new ATOM 1100 N LYS A 69 -13.259 -16.504 14.772 1.00 70.43 N ATOM 1101 CA LYS A 69 -14.317 -15.707 15.405 1.00 71.41 C ATOM 1102 C LYS A 69 -13.968 -14.206 15.405 1.00 53.45 C ATOM 1103 O LYS A 69 -14.799 -13.365 15.753 1.00 22.23 O ATOM 1104 CB LYS A 69 -14.584 -16.227 16.833 1.00 3.13 C ATOM 1105 CG LYS A 69 -13.337 -16.354 17.719 1.00 13.12 C ATOM 1106 CD LYS A 69 -12.936 -15.033 18.377 1.00 62.11 C ATOM 1107 CE LYS A 69 -14.021 -14.517 19.316 1.00 74.34 C ATOM 1108 NZ LYS A 69 -13.606 -13.282 20.030 1.00 32.52 N ATOM 0 H LYS A 69 -12.428 -16.626 15.350 1.00 70.43 H new ATOM 0 HA LYS A 69 -15.231 -15.818 14.821 1.00 71.41 H new ATOM 0 HB2 LYS A 69 -15.292 -15.557 17.321 1.00 3.13 H new ATOM 0 HB3 LYS A 69 -15.064 -17.203 16.765 1.00 3.13 H new ATOM 0 HG2 LYS A 69 -13.522 -17.098 18.494 1.00 13.12 H new ATOM 0 HG3 LYS A 69 -12.506 -16.721 17.117 1.00 13.12 H new ATOM 0 HD2 LYS A 69 -12.009 -15.171 18.933 1.00 62.11 H new ATOM 0 HD3 LYS A 69 -12.738 -14.288 17.606 1.00 62.11 H new ATOM 0 HE2 LYS A 69 -14.928 -14.317 18.745 1.00 74.34 H new ATOM 0 HE3 LYS A 69 -14.267 -15.290 20.044 1.00 74.34 H new ATOM 0 HZ1 LYS A 69 -14.375 -12.968 20.656 1.00 32.52 H new ATOM 0 HZ2 LYS A 69 -12.756 -13.477 20.596 1.00 32.52 H new ATOM 0 HZ3 LYS A 69 -13.397 -12.535 19.338 1.00 32.52 H new ATOM 1122 N ASN A 70 -12.730 -13.884 15.016 1.00 51.42 N ATOM 1123 CA ASN A 70 -12.284 -12.489 14.865 1.00 71.22 C ATOM 1124 C ASN A 70 -11.020 -12.414 13.987 1.00 30.44 C ATOM 1125 O ASN A 70 -10.520 -13.440 13.521 1.00 63.13 O ATOM 1126 CB ASN A 70 -12.032 -11.825 16.236 1.00 63.53 C ATOM 1127 CG ASN A 70 -10.796 -12.339 16.968 1.00 61.11 C ATOM 1128 OD1 ASN A 70 -10.458 -13.596 16.793 1.00 44.42 O flip ATOM 1129 ND2 ASN A 70 -10.148 -11.603 17.703 1.00 25.05 N flip ATOM 0 H ASN A 70 -12.012 -14.574 14.798 1.00 51.42 H new ATOM 0 HA ASN A 70 -13.084 -11.938 14.371 1.00 71.22 H new ATOM 0 HB2 ASN A 70 -11.933 -10.749 16.092 1.00 63.53 H new ATOM 0 HB3 ASN A 70 -12.906 -11.983 16.868 1.00 63.53 H new ATOM 0 HD21 ASN A 70 -10.428 -10.630 17.825 1.00 25.05 H new ATOM 0 HD22 ASN A 70 -9.329 -11.964 18.193 1.00 25.05 H new ATOM 1136 N GLU A 71 -10.500 -11.205 13.770 1.00 15.31 N ATOM 1137 CA GLU A 71 -9.317 -11.013 12.915 1.00 32.52 C ATOM 1138 C GLU A 71 -8.100 -11.784 13.443 1.00 35.22 C ATOM 1139 O GLU A 71 -7.314 -12.328 12.665 1.00 23.34 O ATOM 1140 CB GLU A 71 -8.954 -9.525 12.809 1.00 65.44 C ATOM 1141 CG GLU A 71 -7.831 -9.237 11.817 1.00 64.23 C ATOM 1142 CD GLU A 71 -7.374 -7.788 11.843 1.00 33.11 C ATOM 1143 OE1 GLU A 71 -8.193 -6.897 11.535 1.00 52.35 O ATOM 1144 OE2 GLU A 71 -6.194 -7.532 12.167 1.00 64.33 O ATOM 0 H GLU A 71 -10.874 -10.345 14.170 1.00 15.31 H new ATOM 0 HA GLU A 71 -9.577 -11.400 11.930 1.00 32.52 H new ATOM 0 HB2 GLU A 71 -9.841 -8.964 12.514 1.00 65.44 H new ATOM 0 HB3 GLU A 71 -8.660 -9.161 13.793 1.00 65.44 H new ATOM 0 HG2 GLU A 71 -6.982 -9.884 12.039 1.00 64.23 H new ATOM 0 HG3 GLU A 71 -8.169 -9.488 10.811 1.00 64.23 H new ATOM 1151 N ASP A 72 -7.956 -11.834 14.766 1.00 31.44 N ATOM 1152 CA ASP A 72 -6.780 -12.441 15.398 1.00 33.52 C ATOM 1153 C ASP A 72 -6.548 -13.888 14.911 1.00 11.50 C ATOM 1154 O ASP A 72 -5.402 -14.315 14.737 1.00 2.12 O ATOM 1155 CB ASP A 72 -6.922 -12.398 16.924 1.00 72.24 C ATOM 1156 CG ASP A 72 -5.583 -12.536 17.630 1.00 1.12 C ATOM 1157 OD1 ASP A 72 -4.887 -11.512 17.798 1.00 65.42 O ATOM 1158 OD2 ASP A 72 -5.214 -13.663 18.017 1.00 62.02 O ATOM 0 H ASP A 72 -8.640 -11.461 15.425 1.00 31.44 H new ATOM 0 HA ASP A 72 -5.906 -11.859 15.105 1.00 33.52 H new ATOM 0 HB2 ASP A 72 -7.390 -11.458 17.217 1.00 72.24 H new ATOM 0 HB3 ASP A 72 -7.586 -13.200 17.248 1.00 72.24 H new ATOM 1163 N ASP A 73 -7.633 -14.632 14.672 1.00 73.54 N ATOM 1164 CA ASP A 73 -7.526 -15.991 14.123 1.00 33.13 C ATOM 1165 C ASP A 73 -6.871 -15.963 12.731 1.00 13.41 C ATOM 1166 O ASP A 73 -5.987 -16.764 12.423 1.00 54.35 O ATOM 1167 CB ASP A 73 -8.908 -16.646 14.025 1.00 32.51 C ATOM 1168 CG ASP A 73 -9.667 -16.631 15.341 1.00 5.43 C ATOM 1169 OD1 ASP A 73 -9.296 -17.385 16.262 1.00 50.53 O ATOM 1170 OD2 ASP A 73 -10.650 -15.873 15.451 1.00 2.45 O ATOM 0 H ASP A 73 -8.588 -14.321 14.848 1.00 73.54 H new ATOM 0 HA ASP A 73 -6.903 -16.576 14.799 1.00 33.13 H new ATOM 0 HB2 ASP A 73 -9.496 -16.129 13.267 1.00 32.51 H new ATOM 0 HB3 ASP A 73 -8.792 -17.677 13.690 1.00 32.51 H new ATOM 1175 N VAL A 74 -7.307 -15.017 11.899 1.00 52.23 N ATOM 1176 CA VAL A 74 -6.730 -14.823 10.565 1.00 33.41 C ATOM 1177 C VAL A 74 -5.250 -14.421 10.663 1.00 3.43 C ATOM 1178 O VAL A 74 -4.419 -14.838 9.854 1.00 60.02 O ATOM 1179 CB VAL A 74 -7.510 -13.743 9.768 1.00 12.23 C ATOM 1180 CG1 VAL A 74 -6.914 -13.551 8.374 1.00 51.44 C ATOM 1181 CG2 VAL A 74 -8.997 -14.097 9.680 1.00 30.14 C ATOM 0 H VAL A 74 -8.062 -14.369 12.125 1.00 52.23 H new ATOM 0 HA VAL A 74 -6.807 -15.773 10.035 1.00 33.41 H new ATOM 0 HB VAL A 74 -7.417 -12.799 10.305 1.00 12.23 H new ATOM 0 HG11 VAL A 74 -7.480 -12.789 7.838 1.00 51.44 H new ATOM 0 HG12 VAL A 74 -5.874 -13.235 8.463 1.00 51.44 H new ATOM 0 HG13 VAL A 74 -6.962 -14.491 7.825 1.00 51.44 H new ATOM 0 HG21 VAL A 74 -9.522 -13.325 9.117 1.00 30.14 H new ATOM 0 HG22 VAL A 74 -9.113 -15.056 9.176 1.00 30.14 H new ATOM 0 HG23 VAL A 74 -9.416 -14.162 10.684 1.00 30.14 H new ATOM 1191 N LYS A 75 -4.922 -13.615 11.670 1.00 61.52 N ATOM 1192 CA LYS A 75 -3.531 -13.218 11.913 1.00 4.33 C ATOM 1193 C LYS A 75 -2.680 -14.440 12.305 1.00 34.31 C ATOM 1194 O LYS A 75 -1.487 -14.506 12.004 1.00 25.13 O ATOM 1195 CB LYS A 75 -3.463 -12.142 13.007 1.00 44.22 C ATOM 1196 CG LYS A 75 -4.442 -10.986 12.796 1.00 52.20 C ATOM 1197 CD LYS A 75 -4.233 -10.262 11.462 1.00 3.44 C ATOM 1198 CE LYS A 75 -2.957 -9.429 11.455 1.00 71.32 C ATOM 1199 NZ LYS A 75 -2.811 -8.645 10.198 1.00 22.44 N ATOM 0 H LYS A 75 -5.594 -13.224 12.330 1.00 61.52 H new ATOM 0 HA LYS A 75 -3.127 -12.800 10.991 1.00 4.33 H new ATOM 0 HB2 LYS A 75 -3.665 -12.605 13.973 1.00 44.22 H new ATOM 0 HB3 LYS A 75 -2.449 -11.744 13.050 1.00 44.22 H new ATOM 0 HG2 LYS A 75 -5.462 -11.368 12.840 1.00 52.20 H new ATOM 0 HG3 LYS A 75 -4.334 -10.272 13.612 1.00 52.20 H new ATOM 0 HD2 LYS A 75 -4.192 -10.994 10.655 1.00 3.44 H new ATOM 0 HD3 LYS A 75 -5.088 -9.616 11.263 1.00 3.44 H new ATOM 0 HE2 LYS A 75 -2.963 -8.750 12.308 1.00 71.32 H new ATOM 0 HE3 LYS A 75 -2.095 -10.085 11.576 1.00 71.32 H new ATOM 0 HZ1 LYS A 75 -1.931 -8.093 10.234 1.00 22.44 H new ATOM 0 HZ2 LYS A 75 -2.780 -9.294 9.386 1.00 22.44 H new ATOM 0 HZ3 LYS A 75 -3.620 -8.000 10.095 1.00 22.44 H new ATOM 1213 N SER A 76 -3.310 -15.411 12.973 1.00 21.44 N ATOM 1214 CA SER A 76 -2.658 -16.694 13.282 1.00 43.42 C ATOM 1215 C SER A 76 -2.411 -17.496 12.000 1.00 1.52 C ATOM 1216 O SER A 76 -1.358 -18.116 11.830 1.00 73.34 O ATOM 1217 CB SER A 76 -3.514 -17.525 14.248 1.00 74.53 C ATOM 1218 OG SER A 76 -2.917 -18.786 14.515 1.00 64.52 O ATOM 0 H SER A 76 -4.269 -15.336 13.311 1.00 21.44 H new ATOM 0 HA SER A 76 -1.702 -16.474 13.757 1.00 43.42 H new ATOM 0 HB2 SER A 76 -3.646 -16.978 15.182 1.00 74.53 H new ATOM 0 HB3 SER A 76 -4.506 -17.673 13.822 1.00 74.53 H new ATOM 0 HG SER A 76 -3.484 -19.292 15.134 1.00 64.52 H new ATOM 1224 N LEU A 77 -3.389 -17.469 11.092 1.00 14.34 N ATOM 1225 CA LEU A 77 -3.247 -18.114 9.781 1.00 52.20 C ATOM 1226 C LEU A 77 -2.010 -17.587 9.042 1.00 60.35 C ATOM 1227 O LEU A 77 -1.288 -18.353 8.410 1.00 71.22 O ATOM 1228 CB LEU A 77 -4.506 -17.889 8.929 1.00 14.21 C ATOM 1229 CG LEU A 77 -5.799 -18.516 9.478 1.00 44.54 C ATOM 1230 CD1 LEU A 77 -6.987 -18.178 8.581 1.00 12.15 C ATOM 1231 CD2 LEU A 77 -5.647 -20.028 9.617 1.00 64.43 C ATOM 0 H LEU A 77 -4.287 -17.009 11.238 1.00 14.34 H new ATOM 0 HA LEU A 77 -3.121 -19.184 9.946 1.00 52.20 H new ATOM 0 HB2 LEU A 77 -4.662 -16.816 8.819 1.00 14.21 H new ATOM 0 HB3 LEU A 77 -4.324 -18.289 7.931 1.00 14.21 H new ATOM 0 HG LEU A 77 -5.987 -18.097 10.467 1.00 44.54 H new ATOM 0 HD11 LEU A 77 -7.891 -18.631 8.988 1.00 12.15 H new ATOM 0 HD12 LEU A 77 -7.113 -17.096 8.536 1.00 12.15 H new ATOM 0 HD13 LEU A 77 -6.807 -18.565 7.578 1.00 12.15 H new ATOM 0 HD21 LEU A 77 -6.572 -20.452 10.007 1.00 64.43 H new ATOM 0 HD22 LEU A 77 -5.431 -20.463 8.641 1.00 64.43 H new ATOM 0 HD23 LEU A 77 -4.829 -20.250 10.302 1.00 64.43 H new ATOM 1243 N SER A 78 -1.766 -16.276 9.134 1.00 2.33 N ATOM 1244 CA SER A 78 -0.560 -15.664 8.548 1.00 34.33 C ATOM 1245 C SER A 78 0.714 -16.353 9.061 1.00 22.24 C ATOM 1246 O SER A 78 1.621 -16.668 8.288 1.00 25.44 O ATOM 1247 CB SER A 78 -0.501 -14.163 8.866 1.00 31.13 C ATOM 1248 OG SER A 78 0.684 -13.575 8.354 1.00 31.32 O ATOM 0 H SER A 78 -2.383 -15.616 9.607 1.00 2.33 H new ATOM 0 HA SER A 78 -0.617 -15.795 7.467 1.00 34.33 H new ATOM 0 HB2 SER A 78 -1.371 -13.664 8.439 1.00 31.13 H new ATOM 0 HB3 SER A 78 -0.546 -14.015 9.945 1.00 31.13 H new ATOM 0 HG SER A 78 0.694 -12.619 8.570 1.00 31.32 H new ATOM 1254 N ARG A 79 0.761 -16.602 10.371 1.00 64.23 N ATOM 1255 CA ARG A 79 1.871 -17.340 10.986 1.00 65.25 C ATOM 1256 C ARG A 79 2.017 -18.732 10.354 1.00 43.23 C ATOM 1257 O ARG A 79 3.125 -19.176 10.044 1.00 22.44 O ATOM 1258 CB ARG A 79 1.635 -17.476 12.496 1.00 53.41 C ATOM 1259 CG ARG A 79 1.553 -16.139 13.225 1.00 71.01 C ATOM 1260 CD ARG A 79 2.916 -15.463 13.326 1.00 20.41 C ATOM 1261 NE ARG A 79 3.810 -16.179 14.233 1.00 73.31 N ATOM 1262 CZ ARG A 79 4.262 -15.691 15.356 1.00 74.42 C ATOM 1263 NH1 ARG A 79 3.944 -14.496 15.740 1.00 41.31 N ATOM 1264 NH2 ARG A 79 5.032 -16.413 16.099 1.00 1.02 N ATOM 0 H ARG A 79 0.042 -16.303 11.030 1.00 64.23 H new ATOM 0 HA ARG A 79 2.792 -16.784 10.812 1.00 65.25 H new ATOM 0 HB2 ARG A 79 0.710 -18.028 12.662 1.00 53.41 H new ATOM 0 HB3 ARG A 79 2.441 -18.068 12.929 1.00 53.41 H new ATOM 0 HG2 ARG A 79 0.859 -15.481 12.701 1.00 71.01 H new ATOM 0 HG3 ARG A 79 1.150 -16.295 14.226 1.00 71.01 H new ATOM 0 HD2 ARG A 79 3.369 -15.409 12.336 1.00 20.41 H new ATOM 0 HD3 ARG A 79 2.789 -14.438 13.675 1.00 20.41 H new ATOM 0 HE ARG A 79 4.100 -17.121 13.972 1.00 73.31 H new ATOM 0 HH11 ARG A 79 3.331 -13.921 15.162 1.00 41.31 H new ATOM 0 HH12 ARG A 79 4.306 -14.130 16.621 1.00 41.31 H new ATOM 0 HH21 ARG A 79 5.283 -17.358 15.807 1.00 1.02 H new ATOM 0 HH22 ARG A 79 5.389 -16.039 16.978 1.00 1.02 H new ATOM 1278 N VAL A 80 0.889 -19.412 10.163 1.00 25.04 N ATOM 1279 CA VAL A 80 0.877 -20.718 9.497 1.00 55.35 C ATOM 1280 C VAL A 80 1.407 -20.611 8.057 1.00 64.00 C ATOM 1281 O VAL A 80 2.187 -21.453 7.611 1.00 24.43 O ATOM 1282 CB VAL A 80 -0.549 -21.332 9.481 1.00 21.33 C ATOM 1283 CG1 VAL A 80 -0.556 -22.699 8.796 1.00 55.41 C ATOM 1284 CG2 VAL A 80 -1.108 -21.433 10.900 1.00 52.33 C ATOM 0 H VAL A 80 -0.030 -19.083 10.459 1.00 25.04 H new ATOM 0 HA VAL A 80 1.534 -21.374 10.068 1.00 55.35 H new ATOM 0 HB VAL A 80 -1.193 -20.668 8.904 1.00 21.33 H new ATOM 0 HG11 VAL A 80 -1.568 -23.103 8.801 1.00 55.41 H new ATOM 0 HG12 VAL A 80 -0.213 -22.592 7.767 1.00 55.41 H new ATOM 0 HG13 VAL A 80 0.108 -23.378 9.331 1.00 55.41 H new ATOM 0 HG21 VAL A 80 -2.108 -21.866 10.867 1.00 52.33 H new ATOM 0 HG22 VAL A 80 -0.458 -22.067 11.503 1.00 52.33 H new ATOM 0 HG23 VAL A 80 -1.157 -20.438 11.343 1.00 52.33 H new ATOM 1294 N MET A 81 0.998 -19.553 7.350 1.00 44.11 N ATOM 1295 CA MET A 81 1.431 -19.313 5.965 1.00 62.12 C ATOM 1296 C MET A 81 2.960 -19.224 5.868 1.00 61.41 C ATOM 1297 O MET A 81 3.575 -19.804 4.972 1.00 43.10 O ATOM 1298 CB MET A 81 0.784 -18.028 5.428 1.00 23.22 C ATOM 1299 CG MET A 81 -0.734 -18.088 5.425 1.00 53.42 C ATOM 1300 SD MET A 81 -1.356 -19.567 4.604 1.00 4.14 S ATOM 1301 CE MET A 81 -3.083 -19.507 5.059 1.00 14.21 C ATOM 0 H MET A 81 0.363 -18.843 7.715 1.00 44.11 H new ATOM 0 HA MET A 81 1.107 -20.157 5.355 1.00 62.12 H new ATOM 0 HB2 MET A 81 1.108 -17.183 6.035 1.00 23.22 H new ATOM 0 HB3 MET A 81 1.138 -17.846 4.413 1.00 23.22 H new ATOM 0 HG2 MET A 81 -1.099 -18.064 6.452 1.00 53.42 H new ATOM 0 HG3 MET A 81 -1.130 -17.204 4.925 1.00 53.42 H new ATOM 0 HE1 MET A 81 -3.658 -20.147 4.390 1.00 14.21 H new ATOM 0 HE2 MET A 81 -3.201 -19.855 6.085 1.00 14.21 H new ATOM 0 HE3 MET A 81 -3.445 -18.482 4.980 1.00 14.21 H new ATOM 1311 N ILE A 82 3.568 -18.504 6.809 1.00 14.23 N ATOM 1312 CA ILE A 82 5.029 -18.429 6.907 1.00 4.42 C ATOM 1313 C ILE A 82 5.643 -19.835 7.035 1.00 51.10 C ATOM 1314 O ILE A 82 6.661 -20.145 6.418 1.00 23.20 O ATOM 1315 CB ILE A 82 5.455 -17.567 8.125 1.00 35.30 C ATOM 1316 CG1 ILE A 82 4.819 -16.170 8.033 1.00 11.34 C ATOM 1317 CG2 ILE A 82 6.980 -17.464 8.217 1.00 73.23 C ATOM 1318 CD1 ILE A 82 5.048 -15.306 9.257 1.00 51.30 C ATOM 0 H ILE A 82 3.072 -17.962 7.517 1.00 14.23 H new ATOM 0 HA ILE A 82 5.397 -17.963 5.993 1.00 4.42 H new ATOM 0 HB ILE A 82 5.099 -18.053 9.033 1.00 35.30 H new ATOM 0 HG12 ILE A 82 5.219 -15.657 7.159 1.00 11.34 H new ATOM 0 HG13 ILE A 82 3.746 -16.280 7.874 1.00 11.34 H new ATOM 0 HG21 ILE A 82 7.252 -16.855 9.079 1.00 73.23 H new ATOM 0 HG22 ILE A 82 7.406 -18.461 8.328 1.00 73.23 H new ATOM 0 HG23 ILE A 82 7.369 -17.003 7.309 1.00 73.23 H new ATOM 0 HD11 ILE A 82 4.569 -14.338 9.114 1.00 51.30 H new ATOM 0 HD12 ILE A 82 4.622 -15.796 10.133 1.00 51.30 H new ATOM 0 HD13 ILE A 82 6.118 -15.162 9.406 1.00 51.30 H new ATOM 1330 N HIS A 83 4.999 -20.685 7.834 1.00 41.33 N ATOM 1331 CA HIS A 83 5.457 -22.063 8.042 1.00 71.43 C ATOM 1332 C HIS A 83 5.160 -22.971 6.832 1.00 51.23 C ATOM 1333 O HIS A 83 5.839 -23.978 6.634 1.00 61.31 O ATOM 1334 CB HIS A 83 4.850 -22.643 9.325 1.00 11.33 C ATOM 1335 CG HIS A 83 5.427 -22.036 10.570 1.00 0.32 C ATOM 1336 ND1 HIS A 83 4.952 -21.076 11.401 1.00 71.03 N flip ATOM 1337 CD2 HIS A 83 6.659 -22.391 11.071 1.00 2.53 C flip ATOM 1338 CE1 HIS A 83 5.901 -20.873 12.373 1.00 72.21 C flip ATOM 1339 NE2 HIS A 83 6.919 -21.681 12.149 1.00 15.20 N flip ATOM 0 H HIS A 83 4.154 -20.444 8.352 1.00 41.33 H new ATOM 0 HA HIS A 83 6.541 -22.029 8.150 1.00 71.43 H new ATOM 0 HB2 HIS A 83 3.772 -22.484 9.315 1.00 11.33 H new ATOM 0 HB3 HIS A 83 5.013 -23.721 9.343 1.00 11.33 H new ATOM 0 HD1 HIS A 83 4.057 -20.594 11.320 1.00 71.03 H new ATOM 0 HD2 HIS A 83 7.313 -23.138 10.645 1.00 2.53 H new ATOM 0 HE1 HIS A 83 5.826 -20.167 13.187 1.00 72.21 H new ATOM 1348 N VAL A 84 4.132 -22.640 6.047 1.00 52.04 N ATOM 1349 CA VAL A 84 3.839 -23.377 4.804 1.00 44.03 C ATOM 1350 C VAL A 84 5.062 -23.394 3.865 1.00 22.40 C ATOM 1351 O VAL A 84 5.301 -24.369 3.145 1.00 74.54 O ATOM 1352 CB VAL A 84 2.620 -22.773 4.051 1.00 10.30 C ATOM 1353 CG1 VAL A 84 2.431 -23.421 2.678 1.00 34.13 C ATOM 1354 CG2 VAL A 84 1.346 -22.911 4.883 1.00 61.21 C ATOM 0 H VAL A 84 3.489 -21.873 6.243 1.00 52.04 H new ATOM 0 HA VAL A 84 3.597 -24.399 5.095 1.00 44.03 H new ATOM 0 HB VAL A 84 2.824 -21.713 3.897 1.00 10.30 H new ATOM 0 HG11 VAL A 84 1.570 -22.974 2.180 1.00 34.13 H new ATOM 0 HG12 VAL A 84 3.324 -23.260 2.074 1.00 34.13 H new ATOM 0 HG13 VAL A 84 2.264 -24.491 2.801 1.00 34.13 H new ATOM 0 HG21 VAL A 84 0.506 -22.482 4.337 1.00 61.21 H new ATOM 0 HG22 VAL A 84 1.151 -23.966 5.078 1.00 61.21 H new ATOM 0 HG23 VAL A 84 1.470 -22.384 5.829 1.00 61.21 H new ATOM 1364 N PHE A 85 5.844 -22.314 3.897 1.00 32.14 N ATOM 1365 CA PHE A 85 7.054 -22.197 3.071 1.00 33.33 C ATOM 1366 C PHE A 85 8.264 -22.911 3.696 1.00 4.00 C ATOM 1367 O PHE A 85 9.403 -22.691 3.279 1.00 4.11 O ATOM 1368 CB PHE A 85 7.390 -20.720 2.829 1.00 60.03 C ATOM 1369 CG PHE A 85 6.413 -20.025 1.920 1.00 52.40 C ATOM 1370 CD1 PHE A 85 6.314 -20.400 0.589 1.00 24.15 C ATOM 1371 CD2 PHE A 85 5.606 -18.998 2.385 1.00 2.44 C ATOM 1372 CE1 PHE A 85 5.432 -19.768 -0.258 1.00 20.20 C ATOM 1373 CE2 PHE A 85 4.719 -18.362 1.539 1.00 20.31 C ATOM 1374 CZ PHE A 85 4.633 -18.748 0.216 1.00 12.35 C ATOM 0 H PHE A 85 5.663 -21.503 4.488 1.00 32.14 H new ATOM 0 HA PHE A 85 6.840 -22.688 2.121 1.00 33.33 H new ATOM 0 HB2 PHE A 85 7.417 -20.200 3.786 1.00 60.03 H new ATOM 0 HB3 PHE A 85 8.389 -20.648 2.399 1.00 60.03 H new ATOM 0 HD1 PHE A 85 6.937 -21.198 0.212 1.00 24.15 H new ATOM 0 HD2 PHE A 85 5.672 -18.692 3.419 1.00 2.44 H new ATOM 0 HE1 PHE A 85 5.365 -20.070 -1.293 1.00 20.20 H new ATOM 0 HE2 PHE A 85 4.094 -17.564 1.911 1.00 20.31 H new ATOM 0 HZ PHE A 85 3.940 -18.252 -0.448 1.00 12.35 H new ATOM 1458 N TRP A 92 6.668 -26.306 -6.718 1.00 51.15 N ATOM 1459 CA TRP A 92 5.664 -25.238 -6.613 1.00 51.00 C ATOM 1460 C TRP A 92 4.451 -25.687 -5.778 1.00 52.13 C ATOM 1461 O TRP A 92 3.556 -24.889 -5.491 1.00 43.13 O ATOM 1462 CB TRP A 92 5.214 -24.782 -8.012 1.00 53.41 C ATOM 1463 CG TRP A 92 6.275 -24.025 -8.762 1.00 34.13 C ATOM 1464 CD1 TRP A 92 7.084 -24.497 -9.758 1.00 11.21 C ATOM 1465 CD2 TRP A 92 6.644 -22.654 -8.564 1.00 20.31 C ATOM 1466 NE1 TRP A 92 7.930 -23.501 -10.189 1.00 45.13 N ATOM 1467 CE2 TRP A 92 7.678 -22.362 -9.472 1.00 23.21 C ATOM 1468 CE3 TRP A 92 6.196 -21.644 -7.704 1.00 51.43 C ATOM 1469 CZ2 TRP A 92 8.272 -21.102 -9.542 1.00 71.42 C ATOM 1470 CZ3 TRP A 92 6.784 -20.396 -7.775 1.00 53.43 C ATOM 1471 CH2 TRP A 92 7.813 -20.134 -8.687 1.00 45.12 C ATOM 0 HA TRP A 92 6.128 -24.395 -6.101 1.00 51.00 H new ATOM 0 HB2 TRP A 92 4.921 -25.656 -8.594 1.00 53.41 H new ATOM 0 HB3 TRP A 92 4.329 -24.153 -7.914 1.00 53.41 H new ATOM 0 HD1 TRP A 92 7.062 -25.504 -10.149 1.00 11.21 H new ATOM 0 HE1 TRP A 92 8.631 -23.596 -10.924 1.00 45.13 H new ATOM 0 HE3 TRP A 92 5.403 -21.838 -6.996 1.00 51.43 H new ATOM 0 HZ2 TRP A 92 9.066 -20.896 -10.245 1.00 71.42 H new ATOM 0 HZ3 TRP A 92 6.444 -19.610 -7.117 1.00 53.43 H new ATOM 0 HH2 TRP A 92 8.254 -19.149 -8.718 1.00 45.12 H new ATOM 1482 N GLY A 93 4.434 -26.964 -5.379 1.00 63.10 N ATOM 1483 CA GLY A 93 3.353 -27.488 -4.540 1.00 62.13 C ATOM 1484 C GLY A 93 3.125 -26.668 -3.267 1.00 32.00 C ATOM 1485 O GLY A 93 1.991 -26.514 -2.812 1.00 62.34 O ATOM 0 H GLY A 93 5.151 -27.648 -5.622 1.00 63.10 H new ATOM 0 HA2 GLY A 93 2.430 -27.511 -5.120 1.00 62.13 H new ATOM 0 HA3 GLY A 93 3.582 -28.518 -4.265 1.00 62.13 H new ATOM 1489 N ARG A 94 4.211 -26.152 -2.691 1.00 13.12 N ATOM 1490 CA ARG A 94 4.137 -25.250 -1.531 1.00 71.31 C ATOM 1491 C ARG A 94 3.230 -24.032 -1.803 1.00 72.24 C ATOM 1492 O ARG A 94 2.457 -23.618 -0.938 1.00 65.34 O ATOM 1493 CB ARG A 94 5.552 -24.794 -1.137 1.00 41.42 C ATOM 1494 CG ARG A 94 6.387 -24.282 -2.310 1.00 53.52 C ATOM 1495 CD ARG A 94 7.828 -23.996 -1.900 1.00 52.44 C ATOM 1496 NE ARG A 94 8.662 -23.644 -3.049 1.00 64.14 N ATOM 1497 CZ ARG A 94 9.966 -23.695 -3.053 1.00 1.25 C ATOM 1498 NH1 ARG A 94 10.613 -24.069 -1.994 1.00 34.13 N ATOM 1499 NH2 ARG A 94 10.623 -23.381 -4.124 1.00 41.42 N ATOM 0 H ARG A 94 5.161 -26.343 -3.009 1.00 13.12 H new ATOM 0 HA ARG A 94 3.691 -25.802 -0.704 1.00 71.31 H new ATOM 0 HB2 ARG A 94 5.474 -24.006 -0.388 1.00 41.42 H new ATOM 0 HB3 ARG A 94 6.075 -25.628 -0.669 1.00 41.42 H new ATOM 0 HG2 ARG A 94 6.377 -25.020 -3.112 1.00 53.52 H new ATOM 0 HG3 ARG A 94 5.935 -23.373 -2.708 1.00 53.52 H new ATOM 0 HD2 ARG A 94 7.845 -23.181 -1.176 1.00 52.44 H new ATOM 0 HD3 ARG A 94 8.245 -24.872 -1.403 1.00 52.44 H new ATOM 0 HE ARG A 94 8.194 -23.339 -3.902 1.00 64.14 H new ATOM 0 HH11 ARG A 94 10.103 -24.326 -1.149 1.00 34.13 H new ATOM 0 HH12 ARG A 94 11.632 -24.106 -2.006 1.00 34.13 H new ATOM 0 HH21 ARG A 94 10.121 -23.094 -4.964 1.00 41.42 H new ATOM 0 HH22 ARG A 94 11.642 -23.421 -4.127 1.00 41.42 H new ATOM 1513 N ILE A 95 3.317 -23.473 -3.011 1.00 31.21 N ATOM 1514 CA ILE A 95 2.462 -22.345 -3.406 1.00 1.20 C ATOM 1515 C ILE A 95 0.990 -22.780 -3.497 1.00 31.21 C ATOM 1516 O ILE A 95 0.097 -22.103 -2.984 1.00 13.14 O ATOM 1517 CB ILE A 95 2.906 -21.748 -4.768 1.00 52.30 C ATOM 1518 CG1 ILE A 95 4.354 -21.236 -4.686 1.00 52.04 C ATOM 1519 CG2 ILE A 95 1.961 -20.628 -5.214 1.00 43.34 C ATOM 1520 CD1 ILE A 95 4.551 -20.093 -3.713 1.00 13.24 C ATOM 0 H ILE A 95 3.968 -23.780 -3.734 1.00 31.21 H new ATOM 0 HA ILE A 95 2.565 -21.579 -2.637 1.00 1.20 H new ATOM 0 HB ILE A 95 2.861 -22.541 -5.515 1.00 52.30 H new ATOM 0 HG12 ILE A 95 5.004 -22.062 -4.397 1.00 52.04 H new ATOM 0 HG13 ILE A 95 4.671 -20.913 -5.678 1.00 52.04 H new ATOM 0 HG21 ILE A 95 2.296 -20.228 -6.171 1.00 43.34 H new ATOM 0 HG22 ILE A 95 0.951 -21.025 -5.320 1.00 43.34 H new ATOM 0 HG23 ILE A 95 1.962 -19.833 -4.468 1.00 43.34 H new ATOM 0 HD11 ILE A 95 5.598 -19.790 -3.714 1.00 13.24 H new ATOM 0 HD12 ILE A 95 3.929 -19.249 -4.012 1.00 13.24 H new ATOM 0 HD13 ILE A 95 4.268 -20.415 -2.711 1.00 13.24 H new ATOM 1532 N VAL A 96 0.749 -23.919 -4.148 1.00 22.33 N ATOM 1533 CA VAL A 96 -0.606 -24.479 -4.254 1.00 24.04 C ATOM 1534 C VAL A 96 -1.206 -24.727 -2.860 1.00 61.22 C ATOM 1535 O VAL A 96 -2.369 -24.414 -2.606 1.00 54.11 O ATOM 1536 CB VAL A 96 -0.615 -25.807 -5.057 1.00 74.14 C ATOM 1537 CG1 VAL A 96 -2.042 -26.323 -5.242 1.00 52.21 C ATOM 1538 CG2 VAL A 96 0.080 -25.632 -6.408 1.00 34.40 C ATOM 0 H VAL A 96 1.470 -24.473 -4.610 1.00 22.33 H new ATOM 0 HA VAL A 96 -1.212 -23.746 -4.786 1.00 24.04 H new ATOM 0 HB VAL A 96 -0.059 -26.550 -4.485 1.00 74.14 H new ATOM 0 HG11 VAL A 96 -2.022 -27.255 -5.808 1.00 52.21 H new ATOM 0 HG12 VAL A 96 -2.494 -26.501 -4.266 1.00 52.21 H new ATOM 0 HG13 VAL A 96 -2.629 -25.582 -5.784 1.00 52.21 H new ATOM 0 HG21 VAL A 96 0.061 -26.576 -6.952 1.00 34.40 H new ATOM 0 HG22 VAL A 96 -0.439 -24.869 -6.988 1.00 34.40 H new ATOM 0 HG23 VAL A 96 1.114 -25.326 -6.248 1.00 34.40 H new ATOM 1548 N THR A 97 -0.393 -25.279 -1.960 1.00 40.01 N ATOM 1549 CA THR A 97 -0.808 -25.530 -0.572 1.00 24.33 C ATOM 1550 C THR A 97 -1.210 -24.226 0.133 1.00 33.03 C ATOM 1551 O THR A 97 -2.208 -24.180 0.853 1.00 42.44 O ATOM 1552 CB THR A 97 0.323 -26.208 0.242 1.00 63.21 C ATOM 1553 OG1 THR A 97 0.708 -27.448 -0.376 1.00 60.04 O ATOM 1554 CG2 THR A 97 -0.108 -26.468 1.683 1.00 55.44 C ATOM 0 H THR A 97 0.565 -25.564 -2.165 1.00 40.01 H new ATOM 0 HA THR A 97 -1.668 -26.198 -0.618 1.00 24.33 H new ATOM 0 HB THR A 97 1.174 -25.527 0.255 1.00 63.21 H new ATOM 0 HG1 THR A 97 1.159 -27.264 -1.226 1.00 60.04 H new ATOM 0 HG21 THR A 97 0.708 -26.944 2.227 1.00 55.44 H new ATOM 0 HG22 THR A 97 -0.361 -25.523 2.163 1.00 55.44 H new ATOM 0 HG23 THR A 97 -0.979 -27.123 1.690 1.00 55.44 H new ATOM 1562 N LEU A 98 -0.425 -23.172 -0.092 1.00 31.14 N ATOM 1563 CA LEU A 98 -0.682 -21.856 0.505 1.00 53.32 C ATOM 1564 C LEU A 98 -2.060 -21.305 0.095 1.00 51.31 C ATOM 1565 O LEU A 98 -2.891 -20.965 0.941 1.00 1.41 O ATOM 1566 CB LEU A 98 0.409 -20.868 0.065 1.00 45.14 C ATOM 1567 CG LEU A 98 0.320 -19.465 0.689 1.00 3.51 C ATOM 1568 CD1 LEU A 98 0.713 -19.507 2.161 1.00 34.23 C ATOM 1569 CD2 LEU A 98 1.189 -18.473 -0.078 1.00 44.35 C ATOM 0 H LEU A 98 0.402 -23.203 -0.688 1.00 31.14 H new ATOM 0 HA LEU A 98 -0.671 -21.974 1.589 1.00 53.32 H new ATOM 0 HB2 LEU A 98 1.382 -21.295 0.310 1.00 45.14 H new ATOM 0 HB3 LEU A 98 0.369 -20.768 -1.020 1.00 45.14 H new ATOM 0 HG LEU A 98 -0.714 -19.127 0.622 1.00 3.51 H new ATOM 0 HD11 LEU A 98 0.644 -18.505 2.585 1.00 34.23 H new ATOM 0 HD12 LEU A 98 0.040 -20.176 2.698 1.00 34.23 H new ATOM 0 HD13 LEU A 98 1.736 -19.870 2.254 1.00 34.23 H new ATOM 0 HD21 LEU A 98 1.109 -17.488 0.382 1.00 44.35 H new ATOM 0 HD22 LEU A 98 2.228 -18.803 -0.052 1.00 44.35 H new ATOM 0 HD23 LEU A 98 0.852 -18.418 -1.113 1.00 44.35 H new ATOM 1581 N ILE A 99 -2.294 -21.234 -1.213 1.00 73.41 N ATOM 1582 CA ILE A 99 -3.531 -20.660 -1.754 1.00 13.35 C ATOM 1583 C ILE A 99 -4.753 -21.555 -1.467 1.00 53.31 C ATOM 1584 O ILE A 99 -5.835 -21.061 -1.137 1.00 63.15 O ATOM 1585 CB ILE A 99 -3.401 -20.428 -3.281 1.00 51.20 C ATOM 1586 CG1 ILE A 99 -2.168 -19.557 -3.581 1.00 64.51 C ATOM 1587 CG2 ILE A 99 -4.667 -19.783 -3.844 1.00 61.33 C ATOM 1588 CD1 ILE A 99 -1.917 -19.326 -5.059 1.00 24.14 C ATOM 0 H ILE A 99 -1.642 -21.567 -1.923 1.00 73.41 H new ATOM 0 HA ILE A 99 -3.687 -19.704 -1.254 1.00 13.35 H new ATOM 0 HB ILE A 99 -3.273 -21.395 -3.768 1.00 51.20 H new ATOM 0 HG12 ILE A 99 -2.290 -18.592 -3.089 1.00 64.51 H new ATOM 0 HG13 ILE A 99 -1.288 -20.029 -3.144 1.00 64.51 H new ATOM 0 HG21 ILE A 99 -4.551 -19.630 -4.917 1.00 61.33 H new ATOM 0 HG22 ILE A 99 -5.520 -20.436 -3.660 1.00 61.33 H new ATOM 0 HG23 ILE A 99 -4.833 -18.822 -3.357 1.00 61.33 H new ATOM 0 HD11 ILE A 99 -1.031 -18.704 -5.185 1.00 24.14 H new ATOM 0 HD12 ILE A 99 -1.761 -20.284 -5.556 1.00 24.14 H new ATOM 0 HD13 ILE A 99 -2.778 -18.825 -5.500 1.00 24.14 H new ATOM 1600 N SER A 100 -4.570 -22.872 -1.585 1.00 53.40 N ATOM 1601 CA SER A 100 -5.662 -23.836 -1.356 1.00 2.24 C ATOM 1602 C SER A 100 -6.164 -23.793 0.095 1.00 11.12 C ATOM 1603 O SER A 100 -7.372 -23.770 0.337 1.00 72.33 O ATOM 1604 CB SER A 100 -5.215 -25.264 -1.707 1.00 23.13 C ATOM 1605 OG SER A 100 -4.141 -25.690 -0.885 1.00 50.53 O ATOM 0 H SER A 100 -3.679 -23.300 -1.837 1.00 53.40 H new ATOM 0 HA SER A 100 -6.484 -23.547 -2.011 1.00 2.24 H new ATOM 0 HB2 SER A 100 -6.056 -25.948 -1.592 1.00 23.13 H new ATOM 0 HB3 SER A 100 -4.912 -25.305 -2.753 1.00 23.13 H new ATOM 0 HG SER A 100 -3.313 -25.253 -1.176 1.00 50.53 H new ATOM 1611 N PHE A 101 -5.239 -23.778 1.056 1.00 34.40 N ATOM 1612 CA PHE A 101 -5.604 -23.671 2.475 1.00 50.10 C ATOM 1613 C PHE A 101 -6.382 -22.373 2.748 1.00 12.34 C ATOM 1614 O PHE A 101 -7.386 -22.377 3.467 1.00 2.02 O ATOM 1615 CB PHE A 101 -4.349 -23.738 3.360 1.00 63.03 C ATOM 1616 CG PHE A 101 -4.640 -23.671 4.843 1.00 42.34 C ATOM 1617 CD1 PHE A 101 -5.595 -24.501 5.415 1.00 23.20 C ATOM 1618 CD2 PHE A 101 -3.958 -22.783 5.665 1.00 24.41 C ATOM 1619 CE1 PHE A 101 -5.865 -24.444 6.770 1.00 31.43 C ATOM 1620 CE2 PHE A 101 -4.225 -22.722 7.021 1.00 0.22 C ATOM 1621 CZ PHE A 101 -5.180 -23.554 7.574 1.00 72.14 C ATOM 0 H PHE A 101 -4.236 -23.838 0.882 1.00 34.40 H new ATOM 0 HA PHE A 101 -6.251 -24.513 2.721 1.00 50.10 H new ATOM 0 HB2 PHE A 101 -3.815 -24.664 3.146 1.00 63.03 H new ATOM 0 HB3 PHE A 101 -3.684 -22.917 3.093 1.00 63.03 H new ATOM 0 HD1 PHE A 101 -6.134 -25.200 4.793 1.00 23.20 H new ATOM 0 HD2 PHE A 101 -3.209 -22.131 5.240 1.00 24.41 H new ATOM 0 HE1 PHE A 101 -6.612 -25.095 7.200 1.00 31.43 H new ATOM 0 HE2 PHE A 101 -3.688 -22.025 7.647 1.00 0.22 H new ATOM 0 HZ PHE A 101 -5.390 -23.508 8.632 1.00 72.14 H new ATOM 1631 N GLY A 102 -5.918 -21.265 2.165 1.00 54.15 N ATOM 1632 CA GLY A 102 -6.637 -20.000 2.280 1.00 61.40 C ATOM 1633 C GLY A 102 -8.072 -20.099 1.763 1.00 41.25 C ATOM 1634 O GLY A 102 -9.015 -19.638 2.411 1.00 5.32 O ATOM 0 H GLY A 102 -5.059 -21.220 1.616 1.00 54.15 H new ATOM 0 HA2 GLY A 102 -6.650 -19.686 3.324 1.00 61.40 H new ATOM 0 HA3 GLY A 102 -6.104 -19.230 1.722 1.00 61.40 H new ATOM 1638 N ALA A 103 -8.230 -20.724 0.597 1.00 44.44 N ATOM 1639 CA ALA A 103 -9.549 -20.942 -0.003 1.00 73.23 C ATOM 1640 C ALA A 103 -10.412 -21.889 0.851 1.00 52.41 C ATOM 1641 O ALA A 103 -11.635 -21.729 0.945 1.00 3.43 O ATOM 1642 CB ALA A 103 -9.387 -21.494 -1.416 1.00 54.43 C ATOM 0 H ALA A 103 -7.456 -21.091 0.044 1.00 44.44 H new ATOM 0 HA ALA A 103 -10.065 -19.983 -0.047 1.00 73.23 H new ATOM 0 HB1 ALA A 103 -10.370 -21.655 -1.859 1.00 54.43 H new ATOM 0 HB2 ALA A 103 -8.828 -20.782 -2.023 1.00 54.43 H new ATOM 0 HB3 ALA A 103 -8.847 -22.440 -1.377 1.00 54.43 H new ATOM 1648 N PHE A 104 -9.764 -22.875 1.472 1.00 23.52 N ATOM 1649 CA PHE A 104 -10.451 -23.838 2.337 1.00 73.14 C ATOM 1650 C PHE A 104 -11.043 -23.150 3.575 1.00 12.51 C ATOM 1651 O PHE A 104 -12.158 -23.459 3.997 1.00 0.10 O ATOM 1652 CB PHE A 104 -9.491 -24.958 2.763 1.00 45.21 C ATOM 1653 CG PHE A 104 -10.159 -26.048 3.559 1.00 24.40 C ATOM 1654 CD1 PHE A 104 -11.027 -26.936 2.943 1.00 12.13 C ATOM 1655 CD2 PHE A 104 -9.934 -26.178 4.922 1.00 22.40 C ATOM 1656 CE1 PHE A 104 -11.651 -27.933 3.667 1.00 45.11 C ATOM 1657 CE2 PHE A 104 -10.557 -27.172 5.650 1.00 63.41 C ATOM 1658 CZ PHE A 104 -11.416 -28.049 5.023 1.00 34.42 C ATOM 0 H PHE A 104 -8.759 -23.029 1.392 1.00 23.52 H new ATOM 0 HA PHE A 104 -11.271 -24.273 1.766 1.00 73.14 H new ATOM 0 HB2 PHE A 104 -9.036 -25.394 1.874 1.00 45.21 H new ATOM 0 HB3 PHE A 104 -8.683 -24.528 3.356 1.00 45.21 H new ATOM 0 HD1 PHE A 104 -11.218 -26.847 1.884 1.00 12.13 H new ATOM 0 HD2 PHE A 104 -9.263 -25.493 5.420 1.00 22.40 H new ATOM 0 HE1 PHE A 104 -12.322 -28.621 3.174 1.00 45.11 H new ATOM 0 HE2 PHE A 104 -10.371 -27.262 6.710 1.00 63.41 H new ATOM 0 HZ PHE A 104 -11.905 -28.826 5.592 1.00 34.42 H new ATOM 1668 N VAL A 105 -10.296 -22.217 4.157 1.00 60.15 N ATOM 1669 CA VAL A 105 -10.797 -21.445 5.297 1.00 61.20 C ATOM 1670 C VAL A 105 -11.876 -20.442 4.843 1.00 52.32 C ATOM 1671 O VAL A 105 -12.883 -20.244 5.527 1.00 41.41 O ATOM 1672 CB VAL A 105 -9.649 -20.696 6.025 1.00 50.32 C ATOM 1673 CG1 VAL A 105 -10.178 -19.928 7.236 1.00 72.12 C ATOM 1674 CG2 VAL A 105 -8.547 -21.670 6.445 1.00 40.24 C ATOM 0 H VAL A 105 -9.349 -21.976 3.864 1.00 60.15 H new ATOM 0 HA VAL A 105 -11.241 -22.150 5.999 1.00 61.20 H new ATOM 0 HB VAL A 105 -9.222 -19.976 5.327 1.00 50.32 H new ATOM 0 HG11 VAL A 105 -9.354 -19.412 7.728 1.00 72.12 H new ATOM 0 HG12 VAL A 105 -10.919 -19.199 6.909 1.00 72.12 H new ATOM 0 HG13 VAL A 105 -10.639 -20.625 7.936 1.00 72.12 H new ATOM 0 HG21 VAL A 105 -7.753 -21.123 6.953 1.00 40.24 H new ATOM 0 HG22 VAL A 105 -8.961 -22.419 7.120 1.00 40.24 H new ATOM 0 HG23 VAL A 105 -8.141 -22.162 5.562 1.00 40.24 H new ATOM 1684 N ALA A 106 -11.669 -19.840 3.666 1.00 73.13 N ATOM 1685 CA ALA A 106 -12.604 -18.850 3.105 1.00 45.42 C ATOM 1686 C ALA A 106 -14.044 -19.390 2.991 1.00 32.03 C ATOM 1687 O ALA A 106 -15.001 -18.705 3.363 1.00 11.14 O ATOM 1688 CB ALA A 106 -12.113 -18.379 1.740 1.00 40.42 C ATOM 0 H ALA A 106 -10.856 -20.021 3.077 1.00 73.13 H new ATOM 0 HA ALA A 106 -12.631 -18.009 3.798 1.00 45.42 H new ATOM 0 HB1 ALA A 106 -12.812 -17.647 1.335 1.00 40.42 H new ATOM 0 HB2 ALA A 106 -11.129 -17.922 1.845 1.00 40.42 H new ATOM 0 HB3 ALA A 106 -12.047 -19.231 1.063 1.00 40.42 H new ATOM 1694 N LYS A 107 -14.199 -20.609 2.465 1.00 71.51 N ATOM 1695 CA LYS A 107 -15.532 -21.225 2.344 1.00 30.23 C ATOM 1696 C LYS A 107 -16.195 -21.410 3.721 1.00 24.24 C ATOM 1697 O LYS A 107 -17.402 -21.200 3.876 1.00 65.44 O ATOM 1698 CB LYS A 107 -15.455 -22.567 1.592 1.00 45.04 C ATOM 1699 CG LYS A 107 -14.547 -23.605 2.241 1.00 55.34 C ATOM 1700 CD LYS A 107 -14.496 -24.922 1.461 1.00 54.30 C ATOM 1701 CE LYS A 107 -13.866 -24.771 0.072 1.00 53.23 C ATOM 1702 NZ LYS A 107 -14.814 -24.212 -0.933 1.00 53.44 N ATOM 0 H LYS A 107 -13.432 -21.185 2.119 1.00 71.51 H new ATOM 0 HA LYS A 107 -16.155 -20.544 1.764 1.00 30.23 H new ATOM 0 HB2 LYS A 107 -16.460 -22.982 1.511 1.00 45.04 H new ATOM 0 HB3 LYS A 107 -15.105 -22.380 0.577 1.00 45.04 H new ATOM 0 HG2 LYS A 107 -13.539 -23.198 2.324 1.00 55.34 H new ATOM 0 HG3 LYS A 107 -14.895 -23.802 3.255 1.00 55.34 H new ATOM 0 HD2 LYS A 107 -13.928 -25.655 2.034 1.00 54.30 H new ATOM 0 HD3 LYS A 107 -15.507 -25.314 1.355 1.00 54.30 H new ATOM 0 HE2 LYS A 107 -12.993 -24.122 0.142 1.00 53.23 H new ATOM 0 HE3 LYS A 107 -13.513 -25.744 -0.270 1.00 53.23 H new ATOM 0 HZ1 LYS A 107 -14.652 -24.667 -1.854 1.00 53.44 H new ATOM 0 HZ2 LYS A 107 -15.791 -24.391 -0.625 1.00 53.44 H new ATOM 0 HZ3 LYS A 107 -14.661 -23.187 -1.022 1.00 53.44 H new ATOM 1716 N HIS A 108 -15.403 -21.788 4.724 1.00 20.02 N ATOM 1717 CA HIS A 108 -15.909 -21.888 6.096 1.00 40.22 C ATOM 1718 C HIS A 108 -16.306 -20.503 6.631 1.00 33.13 C ATOM 1719 O HIS A 108 -17.293 -20.367 7.357 1.00 71.43 O ATOM 1720 CB HIS A 108 -14.867 -22.537 7.020 1.00 72.23 C ATOM 1721 CG HIS A 108 -15.323 -22.658 8.447 1.00 34.21 C ATOM 1722 ND1 HIS A 108 -16.385 -23.446 8.831 1.00 74.35 N ATOM 1723 CD2 HIS A 108 -14.870 -22.070 9.582 1.00 1.10 C ATOM 1724 CE1 HIS A 108 -16.571 -23.336 10.129 1.00 44.15 C ATOM 1725 NE2 HIS A 108 -15.667 -22.510 10.613 1.00 44.31 N ATOM 0 H HIS A 108 -14.418 -22.028 4.616 1.00 20.02 H new ATOM 0 HA HIS A 108 -16.796 -22.522 6.080 1.00 40.22 H new ATOM 0 HB2 HIS A 108 -14.623 -23.529 6.639 1.00 72.23 H new ATOM 0 HB3 HIS A 108 -13.949 -21.949 6.989 1.00 72.23 H new ATOM 0 HD2 HIS A 108 -14.039 -21.385 9.661 1.00 1.10 H new ATOM 0 HE1 HIS A 108 -17.337 -23.839 10.701 1.00 44.15 H new ATOM 0 HE2 HIS A 108 -15.573 -22.241 11.592 1.00 44.31 H new ATOM 1734 N LEU A 109 -15.538 -19.478 6.257 1.00 22.13 N ATOM 1735 CA LEU A 109 -15.821 -18.103 6.679 1.00 5.35 C ATOM 1736 C LEU A 109 -17.172 -17.608 6.145 1.00 23.55 C ATOM 1737 O LEU A 109 -17.999 -17.111 6.907 1.00 21.44 O ATOM 1738 CB LEU A 109 -14.707 -17.154 6.216 1.00 23.41 C ATOM 1739 CG LEU A 109 -13.322 -17.408 6.829 1.00 12.45 C ATOM 1740 CD1 LEU A 109 -12.307 -16.387 6.318 1.00 42.22 C ATOM 1741 CD2 LEU A 109 -13.398 -17.381 8.351 1.00 5.30 C ATOM 0 H LEU A 109 -14.715 -19.573 5.662 1.00 22.13 H new ATOM 0 HA LEU A 109 -15.866 -18.106 7.768 1.00 5.35 H new ATOM 0 HB2 LEU A 109 -14.623 -17.223 5.131 1.00 23.41 H new ATOM 0 HB3 LEU A 109 -15.005 -16.132 6.448 1.00 23.41 H new ATOM 0 HG LEU A 109 -12.988 -18.399 6.521 1.00 12.45 H new ATOM 0 HD11 LEU A 109 -11.333 -16.586 6.766 1.00 42.22 H new ATOM 0 HD12 LEU A 109 -12.230 -16.462 5.233 1.00 42.22 H new ATOM 0 HD13 LEU A 109 -12.632 -15.383 6.590 1.00 42.22 H new ATOM 0 HD21 LEU A 109 -12.407 -17.563 8.768 1.00 5.30 H new ATOM 0 HD22 LEU A 109 -13.757 -16.406 8.680 1.00 5.30 H new ATOM 0 HD23 LEU A 109 -14.084 -18.155 8.695 1.00 5.30 H new ATOM 1753 N LYS A 110 -17.408 -17.760 4.841 1.00 24.52 N ATOM 1754 CA LYS A 110 -18.667 -17.301 4.246 1.00 10.42 C ATOM 1755 C LYS A 110 -19.867 -18.042 4.853 1.00 14.41 C ATOM 1756 O LYS A 110 -20.913 -17.443 5.116 1.00 51.03 O ATOM 1757 CB LYS A 110 -18.667 -17.477 2.721 1.00 12.00 C ATOM 1758 CG LYS A 110 -19.906 -16.875 2.061 1.00 2.34 C ATOM 1759 CD LYS A 110 -19.968 -17.140 0.563 1.00 43.13 C ATOM 1760 CE LYS A 110 -21.194 -16.483 -0.063 1.00 24.14 C ATOM 1761 NZ LYS A 110 -22.443 -16.847 0.657 1.00 4.43 N ATOM 0 H LYS A 110 -16.757 -18.190 4.184 1.00 24.52 H new ATOM 0 HA LYS A 110 -18.757 -16.238 4.470 1.00 10.42 H new ATOM 0 HB2 LYS A 110 -17.775 -17.009 2.305 1.00 12.00 H new ATOM 0 HB3 LYS A 110 -18.612 -18.539 2.481 1.00 12.00 H new ATOM 0 HG2 LYS A 110 -20.799 -17.284 2.534 1.00 2.34 H new ATOM 0 HG3 LYS A 110 -19.918 -15.799 2.235 1.00 2.34 H new ATOM 0 HD2 LYS A 110 -19.065 -16.759 0.086 1.00 43.13 H new ATOM 0 HD3 LYS A 110 -19.996 -18.214 0.382 1.00 43.13 H new ATOM 0 HE2 LYS A 110 -21.071 -15.400 -0.053 1.00 24.14 H new ATOM 0 HE3 LYS A 110 -21.275 -16.785 -1.107 1.00 24.14 H new ATOM 0 HZ1 LYS A 110 -23.266 -16.585 0.078 1.00 4.43 H new ATOM 0 HZ2 LYS A 110 -22.456 -17.872 0.834 1.00 4.43 H new ATOM 0 HZ3 LYS A 110 -22.482 -16.339 1.564 1.00 4.43 H new ATOM 1775 N THR A 111 -19.705 -19.344 5.082 1.00 21.43 N ATOM 1776 CA THR A 111 -20.755 -20.162 5.706 1.00 43.11 C ATOM 1777 C THR A 111 -21.162 -19.612 7.086 1.00 31.03 C ATOM 1778 O THR A 111 -22.340 -19.622 7.447 1.00 34.31 O ATOM 1779 CB THR A 111 -20.305 -21.639 5.843 1.00 3.15 C ATOM 1780 OG1 THR A 111 -20.020 -22.184 4.542 1.00 53.42 O ATOM 1781 CG2 THR A 111 -21.371 -22.493 6.528 1.00 10.41 C ATOM 0 H THR A 111 -18.857 -19.860 4.846 1.00 21.43 H new ATOM 0 HA THR A 111 -21.624 -20.116 5.049 1.00 43.11 H new ATOM 0 HB THR A 111 -19.408 -21.656 6.461 1.00 3.15 H new ATOM 0 HG1 THR A 111 -19.141 -21.872 4.242 1.00 53.42 H new ATOM 0 HG21 THR A 111 -21.019 -23.522 6.606 1.00 10.41 H new ATOM 0 HG22 THR A 111 -21.566 -22.100 7.526 1.00 10.41 H new ATOM 0 HG23 THR A 111 -22.290 -22.467 5.942 1.00 10.41 H new ATOM 1789 N ILE A 112 -20.186 -19.113 7.851 1.00 13.45 N ATOM 1790 CA ILE A 112 -20.463 -18.511 9.165 1.00 70.24 C ATOM 1791 C ILE A 112 -20.552 -16.972 9.079 1.00 3.34 C ATOM 1792 O ILE A 112 -20.391 -16.271 10.081 1.00 22.14 O ATOM 1793 CB ILE A 112 -19.397 -18.921 10.220 1.00 34.21 C ATOM 1794 CG1 ILE A 112 -17.992 -18.461 9.792 1.00 12.01 C ATOM 1795 CG2 ILE A 112 -19.423 -20.433 10.446 1.00 43.31 C ATOM 1796 CD1 ILE A 112 -16.901 -18.806 10.788 1.00 1.45 C ATOM 0 H ILE A 112 -19.201 -19.112 7.587 1.00 13.45 H new ATOM 0 HA ILE A 112 -21.431 -18.895 9.485 1.00 70.24 H new ATOM 0 HB ILE A 112 -19.641 -18.426 11.160 1.00 34.21 H new ATOM 0 HG12 ILE A 112 -17.749 -18.914 8.831 1.00 12.01 H new ATOM 0 HG13 ILE A 112 -18.004 -17.382 9.641 1.00 12.01 H new ATOM 0 HG21 ILE A 112 -18.671 -20.703 11.187 1.00 43.31 H new ATOM 0 HG22 ILE A 112 -20.409 -20.730 10.804 1.00 43.31 H new ATOM 0 HG23 ILE A 112 -19.208 -20.945 9.508 1.00 43.31 H new ATOM 0 HD11 ILE A 112 -15.941 -18.449 10.415 1.00 1.45 H new ATOM 0 HD12 ILE A 112 -17.118 -18.330 11.744 1.00 1.45 H new ATOM 0 HD13 ILE A 112 -16.859 -19.887 10.922 1.00 1.45 H new ATOM 1808 N ASN A 113 -20.821 -16.464 7.870 1.00 11.22 N ATOM 1809 CA ASN A 113 -21.053 -15.026 7.623 1.00 0.13 C ATOM 1810 C ASN A 113 -19.790 -14.155 7.803 1.00 53.45 C ATOM 1811 O ASN A 113 -19.862 -12.930 7.714 1.00 72.01 O ATOM 1812 CB ASN A 113 -22.190 -14.498 8.510 1.00 11.22 C ATOM 1813 CG ASN A 113 -23.517 -15.171 8.209 1.00 64.31 C ATOM 1814 OD1 ASN A 113 -24.269 -14.731 7.346 1.00 22.23 O ATOM 1815 ND2 ASN A 113 -23.821 -16.237 8.920 1.00 53.02 N ATOM 0 H ASN A 113 -20.885 -17.037 7.029 1.00 11.22 H new ATOM 0 HA ASN A 113 -21.338 -14.946 6.574 1.00 0.13 H new ATOM 0 HB2 ASN A 113 -21.934 -14.657 9.558 1.00 11.22 H new ATOM 0 HB3 ASN A 113 -22.290 -13.422 8.366 1.00 11.22 H new ATOM 0 HD21 ASN A 113 -24.704 -16.722 8.760 1.00 53.02 H new ATOM 0 HD22 ASN A 113 -23.173 -16.578 9.631 1.00 53.02 H new ATOM 1822 N GLN A 114 -18.636 -14.783 8.013 1.00 40.34 N ATOM 1823 CA GLN A 114 -17.367 -14.058 8.199 1.00 63.12 C ATOM 1824 C GLN A 114 -16.718 -13.660 6.856 1.00 12.25 C ATOM 1825 O GLN A 114 -15.496 -13.732 6.705 1.00 50.44 O ATOM 1826 CB GLN A 114 -16.383 -14.928 9.005 1.00 11.51 C ATOM 1827 CG GLN A 114 -16.773 -15.154 10.466 1.00 11.25 C ATOM 1828 CD GLN A 114 -16.531 -13.941 11.354 1.00 31.21 C ATOM 1829 OE1 GLN A 114 -16.630 -12.797 10.921 1.00 4.12 O ATOM 1830 NE2 GLN A 114 -16.185 -14.183 12.603 1.00 44.42 N ATOM 0 H GLN A 114 -18.546 -15.798 8.060 1.00 40.34 H new ATOM 0 HA GLN A 114 -17.594 -13.141 8.742 1.00 63.12 H new ATOM 0 HB2 GLN A 114 -16.291 -15.897 8.514 1.00 11.51 H new ATOM 0 HB3 GLN A 114 -15.399 -14.461 8.975 1.00 11.51 H new ATOM 0 HG2 GLN A 114 -17.828 -15.425 10.514 1.00 11.25 H new ATOM 0 HG3 GLN A 114 -16.208 -16.000 10.858 1.00 11.25 H new ATOM 0 HE21 GLN A 114 -16.111 -15.145 12.934 1.00 44.42 H new ATOM 0 HE22 GLN A 114 -15.991 -13.408 13.238 1.00 44.42 H new ATOM 1839 N GLU A 115 -17.523 -13.209 5.889 1.00 30.13 N ATOM 1840 CA GLU A 115 -16.982 -12.760 4.597 1.00 41.40 C ATOM 1841 C GLU A 115 -16.026 -11.575 4.776 1.00 33.44 C ATOM 1842 O GLU A 115 -15.052 -11.438 4.031 1.00 21.43 O ATOM 1843 CB GLU A 115 -18.100 -12.383 3.615 1.00 33.34 C ATOM 1844 CG GLU A 115 -18.844 -13.580 3.030 1.00 25.24 C ATOM 1845 CD GLU A 115 -19.766 -13.191 1.885 1.00 74.23 C ATOM 1846 OE1 GLU A 115 -20.872 -12.678 2.152 1.00 74.31 O ATOM 1847 OE2 GLU A 115 -19.383 -13.396 0.712 1.00 30.14 O ATOM 0 H GLU A 115 -18.538 -13.144 5.971 1.00 30.13 H new ATOM 0 HA GLU A 115 -16.426 -13.599 4.179 1.00 41.40 H new ATOM 0 HB2 GLU A 115 -18.815 -11.738 4.125 1.00 33.34 H new ATOM 0 HB3 GLU A 115 -17.672 -11.801 2.799 1.00 33.34 H new ATOM 0 HG2 GLU A 115 -18.121 -14.315 2.676 1.00 25.24 H new ATOM 0 HG3 GLU A 115 -19.428 -14.060 3.815 1.00 25.24 H new ATOM 1854 N SER A 116 -16.305 -10.730 5.768 1.00 63.24 N ATOM 1855 CA SER A 116 -15.413 -9.614 6.114 1.00 52.24 C ATOM 1856 C SER A 116 -13.994 -10.109 6.440 1.00 73.31 C ATOM 1857 O SER A 116 -13.018 -9.385 6.254 1.00 31.03 O ATOM 1858 CB SER A 116 -15.965 -8.829 7.315 1.00 31.31 C ATOM 1859 OG SER A 116 -17.279 -8.350 7.067 1.00 23.11 O ATOM 0 H SER A 116 -17.141 -10.794 6.349 1.00 63.24 H new ATOM 0 HA SER A 116 -15.363 -8.959 5.244 1.00 52.24 H new ATOM 0 HB2 SER A 116 -15.971 -9.469 8.197 1.00 31.31 H new ATOM 0 HB3 SER A 116 -15.306 -7.989 7.535 1.00 31.31 H new ATOM 0 HG SER A 116 -17.601 -7.857 7.851 1.00 23.11 H new ATOM 1865 N SER A 117 -13.892 -11.347 6.929 1.00 71.42 N ATOM 1866 CA SER A 117 -12.595 -11.960 7.263 1.00 41.25 C ATOM 1867 C SER A 117 -11.870 -12.483 6.011 1.00 72.21 C ATOM 1868 O SER A 117 -10.641 -12.577 5.987 1.00 55.51 O ATOM 1869 CB SER A 117 -12.783 -13.107 8.269 1.00 2.15 C ATOM 1870 OG SER A 117 -13.437 -12.661 9.450 1.00 74.43 O ATOM 0 H SER A 117 -14.695 -11.951 7.105 1.00 71.42 H new ATOM 0 HA SER A 117 -11.978 -11.182 7.712 1.00 41.25 H new ATOM 0 HB2 SER A 117 -13.365 -13.905 7.808 1.00 2.15 H new ATOM 0 HB3 SER A 117 -11.812 -13.529 8.527 1.00 2.15 H new ATOM 0 HG SER A 117 -13.543 -13.413 10.069 1.00 74.43 H new ATOM 1876 N ILE A 118 -12.638 -12.836 4.978 1.00 25.04 N ATOM 1877 CA ILE A 118 -12.075 -13.390 3.736 1.00 42.14 C ATOM 1878 C ILE A 118 -11.088 -12.420 3.051 1.00 24.23 C ATOM 1879 O ILE A 118 -10.037 -12.840 2.564 1.00 55.23 O ATOM 1880 CB ILE A 118 -13.198 -13.777 2.734 1.00 62.42 C ATOM 1881 CG1 ILE A 118 -14.119 -14.845 3.352 1.00 43.53 C ATOM 1882 CG2 ILE A 118 -12.609 -14.275 1.411 1.00 71.40 C ATOM 1883 CD1 ILE A 118 -15.261 -15.273 2.454 1.00 74.32 C ATOM 0 H ILE A 118 -13.654 -12.749 4.973 1.00 25.04 H new ATOM 0 HA ILE A 118 -11.523 -14.284 4.026 1.00 42.14 H new ATOM 0 HB ILE A 118 -13.788 -12.885 2.523 1.00 62.42 H new ATOM 0 HG12 ILE A 118 -13.522 -15.721 3.605 1.00 43.53 H new ATOM 0 HG13 ILE A 118 -14.530 -14.459 4.285 1.00 43.53 H new ATOM 0 HG21 ILE A 118 -13.417 -14.539 0.729 1.00 71.40 H new ATOM 0 HG22 ILE A 118 -12.000 -13.489 0.965 1.00 71.40 H new ATOM 0 HG23 ILE A 118 -11.990 -15.153 1.596 1.00 71.40 H new ATOM 0 HD11 ILE A 118 -15.862 -16.027 2.963 1.00 74.32 H new ATOM 0 HD12 ILE A 118 -15.884 -14.409 2.221 1.00 74.32 H new ATOM 0 HD13 ILE A 118 -14.861 -15.691 1.531 1.00 74.32 H new ATOM 1895 N GLU A 119 -11.421 -11.126 3.020 1.00 50.34 N ATOM 1896 CA GLU A 119 -10.564 -10.128 2.355 1.00 65.32 C ATOM 1897 C GLU A 119 -9.163 -10.023 3.009 1.00 0.11 C ATOM 1898 O GLU A 119 -8.154 -10.190 2.321 1.00 4.15 O ATOM 1899 CB GLU A 119 -11.251 -8.750 2.306 1.00 45.13 C ATOM 1900 CG GLU A 119 -12.473 -8.697 1.395 1.00 1.12 C ATOM 1901 CD GLU A 119 -13.053 -7.295 1.278 1.00 14.40 C ATOM 1902 OE1 GLU A 119 -12.463 -6.461 0.556 1.00 22.33 O ATOM 1903 OE2 GLU A 119 -14.097 -7.018 1.903 1.00 23.41 O ATOM 0 H GLU A 119 -12.267 -10.744 3.441 1.00 50.34 H new ATOM 0 HA GLU A 119 -10.414 -10.475 1.332 1.00 65.32 H new ATOM 0 HB2 GLU A 119 -11.551 -8.469 3.316 1.00 45.13 H new ATOM 0 HB3 GLU A 119 -10.528 -8.007 1.970 1.00 45.13 H new ATOM 0 HG2 GLU A 119 -12.199 -9.057 0.403 1.00 1.12 H new ATOM 0 HG3 GLU A 119 -13.238 -9.372 1.779 1.00 1.12 H new ATOM 1910 N PRO A 120 -9.055 -9.742 4.337 1.00 53.11 N ATOM 1911 CA PRO A 120 -7.747 -9.698 5.020 1.00 44.00 C ATOM 1912 C PRO A 120 -7.000 -11.042 4.945 1.00 62.33 C ATOM 1913 O PRO A 120 -5.768 -11.078 4.933 1.00 42.25 O ATOM 1914 CB PRO A 120 -8.095 -9.339 6.476 1.00 61.13 C ATOM 1915 CG PRO A 120 -9.543 -9.665 6.623 1.00 54.35 C ATOM 1916 CD PRO A 120 -10.160 -9.440 5.268 1.00 50.32 C ATOM 0 HA PRO A 120 -7.074 -8.979 4.553 1.00 44.00 H new ATOM 0 HB2 PRO A 120 -7.489 -9.911 7.178 1.00 61.13 H new ATOM 0 HB3 PRO A 120 -7.906 -8.285 6.678 1.00 61.13 H new ATOM 0 HG2 PRO A 120 -9.679 -10.697 6.947 1.00 54.35 H new ATOM 0 HG3 PRO A 120 -10.011 -9.030 7.375 1.00 54.35 H new ATOM 0 HD2 PRO A 120 -11.016 -10.094 5.102 1.00 50.32 H new ATOM 0 HD3 PRO A 120 -10.515 -8.416 5.153 1.00 50.32 H new ATOM 1924 N LEU A 121 -7.750 -12.147 4.891 1.00 54.42 N ATOM 1925 CA LEU A 121 -7.151 -13.474 4.707 1.00 31.31 C ATOM 1926 C LEU A 121 -6.469 -13.547 3.333 1.00 1.34 C ATOM 1927 O LEU A 121 -5.301 -13.926 3.225 1.00 15.01 O ATOM 1928 CB LEU A 121 -8.232 -14.568 4.851 1.00 21.22 C ATOM 1929 CG LEU A 121 -7.727 -16.015 5.069 1.00 61.42 C ATOM 1930 CD1 LEU A 121 -8.873 -16.917 5.519 1.00 54.34 C ATOM 1931 CD2 LEU A 121 -7.083 -16.588 3.806 1.00 13.41 C ATOM 0 H LEU A 121 -8.767 -12.150 4.971 1.00 54.42 H new ATOM 0 HA LEU A 121 -6.397 -13.643 5.475 1.00 31.31 H new ATOM 0 HB2 LEU A 121 -8.877 -14.302 5.689 1.00 21.22 H new ATOM 0 HB3 LEU A 121 -8.852 -14.555 3.955 1.00 21.22 H new ATOM 0 HG LEU A 121 -6.966 -15.979 5.849 1.00 61.42 H new ATOM 0 HD11 LEU A 121 -8.501 -17.931 5.668 1.00 54.34 H new ATOM 0 HD12 LEU A 121 -9.286 -16.541 6.455 1.00 54.34 H new ATOM 0 HD13 LEU A 121 -9.651 -16.924 4.756 1.00 54.34 H new ATOM 0 HD21 LEU A 121 -6.742 -17.605 4.001 1.00 13.41 H new ATOM 0 HD22 LEU A 121 -7.814 -16.599 2.998 1.00 13.41 H new ATOM 0 HD23 LEU A 121 -6.233 -15.969 3.518 1.00 13.41 H new ATOM 1943 N ALA A 122 -7.206 -13.153 2.292 1.00 63.11 N ATOM 1944 CA ALA A 122 -6.675 -13.112 0.927 1.00 34.23 C ATOM 1945 C ALA A 122 -5.421 -12.228 0.840 1.00 4.51 C ATOM 1946 O ALA A 122 -4.447 -12.577 0.169 1.00 74.34 O ATOM 1947 CB ALA A 122 -7.746 -12.611 -0.035 1.00 3.41 C ATOM 0 H ALA A 122 -8.179 -12.856 2.369 1.00 63.11 H new ATOM 0 HA ALA A 122 -6.387 -14.125 0.645 1.00 34.23 H new ATOM 0 HB1 ALA A 122 -7.342 -12.584 -1.047 1.00 3.41 H new ATOM 0 HB2 ALA A 122 -8.605 -13.282 -0.005 1.00 3.41 H new ATOM 0 HB3 ALA A 122 -8.058 -11.609 0.258 1.00 3.41 H new ATOM 1953 N GLU A 123 -5.453 -11.081 1.524 1.00 52.41 N ATOM 1954 CA GLU A 123 -4.283 -10.199 1.598 1.00 70.12 C ATOM 1955 C GLU A 123 -3.105 -10.905 2.277 1.00 71.31 C ATOM 1956 O GLU A 123 -1.989 -10.857 1.781 1.00 41.03 O ATOM 1957 CB GLU A 123 -4.603 -8.904 2.358 1.00 71.22 C ATOM 1958 CG GLU A 123 -5.685 -8.050 1.713 1.00 50.23 C ATOM 1959 CD GLU A 123 -5.830 -6.692 2.385 1.00 22.15 C ATOM 1960 OE1 GLU A 123 -6.118 -6.654 3.602 1.00 71.20 O ATOM 1961 OE2 GLU A 123 -5.650 -5.659 1.703 1.00 25.33 O ATOM 0 H GLU A 123 -6.270 -10.742 2.032 1.00 52.41 H new ATOM 0 HA GLU A 123 -4.009 -9.947 0.573 1.00 70.12 H new ATOM 0 HB2 GLU A 123 -4.913 -9.159 3.371 1.00 71.22 H new ATOM 0 HB3 GLU A 123 -3.692 -8.312 2.443 1.00 71.22 H new ATOM 0 HG2 GLU A 123 -5.451 -7.907 0.658 1.00 50.23 H new ATOM 0 HG3 GLU A 123 -6.637 -8.579 1.759 1.00 50.23 H new ATOM 1968 N SER A 124 -3.371 -11.571 3.406 1.00 41.41 N ATOM 1969 CA SER A 124 -2.322 -12.274 4.171 1.00 23.33 C ATOM 1970 C SER A 124 -1.574 -13.307 3.316 1.00 11.13 C ATOM 1971 O SER A 124 -0.362 -13.471 3.452 1.00 44.05 O ATOM 1972 CB SER A 124 -2.918 -12.971 5.405 1.00 12.04 C ATOM 1973 OG SER A 124 -3.514 -12.035 6.293 1.00 3.25 O ATOM 0 H SER A 124 -4.303 -11.641 3.815 1.00 41.41 H new ATOM 0 HA SER A 124 -1.608 -11.514 4.489 1.00 23.33 H new ATOM 0 HB2 SER A 124 -3.664 -13.700 5.088 1.00 12.04 H new ATOM 0 HB3 SER A 124 -2.136 -13.522 5.927 1.00 12.04 H new ATOM 0 HG SER A 124 -4.316 -11.655 5.877 1.00 3.25 H new ATOM 1979 N ILE A 125 -2.299 -14.006 2.442 1.00 3.41 N ATOM 1980 CA ILE A 125 -1.685 -14.992 1.541 1.00 24.25 C ATOM 1981 C ILE A 125 -0.587 -14.343 0.678 1.00 22.40 C ATOM 1982 O ILE A 125 0.561 -14.794 0.659 1.00 40.03 O ATOM 1983 CB ILE A 125 -2.746 -15.639 0.608 1.00 32.13 C ATOM 1984 CG1 ILE A 125 -3.894 -16.257 1.426 1.00 5.34 C ATOM 1985 CG2 ILE A 125 -2.102 -16.695 -0.291 1.00 72.41 C ATOM 1986 CD1 ILE A 125 -3.468 -17.400 2.323 1.00 43.22 C ATOM 0 H ILE A 125 -3.309 -13.911 2.336 1.00 3.41 H new ATOM 0 HA ILE A 125 -1.242 -15.765 2.168 1.00 24.25 H new ATOM 0 HB ILE A 125 -3.162 -14.854 -0.024 1.00 32.13 H new ATOM 0 HG12 ILE A 125 -4.349 -15.479 2.039 1.00 5.34 H new ATOM 0 HG13 ILE A 125 -4.663 -16.614 0.741 1.00 5.34 H new ATOM 0 HG21 ILE A 125 -2.862 -17.136 -0.936 1.00 72.41 H new ATOM 0 HG22 ILE A 125 -1.331 -16.229 -0.904 1.00 72.41 H new ATOM 0 HG23 ILE A 125 -1.654 -17.474 0.326 1.00 72.41 H new ATOM 0 HD11 ILE A 125 -4.334 -17.780 2.865 1.00 43.22 H new ATOM 0 HD12 ILE A 125 -3.040 -18.198 1.717 1.00 43.22 H new ATOM 0 HD13 ILE A 125 -2.722 -17.046 3.034 1.00 43.22 H new ATOM 1998 N THR A 126 -0.951 -13.267 -0.014 1.00 3.00 N ATOM 1999 CA THR A 126 -0.013 -12.523 -0.867 1.00 43.43 C ATOM 2000 C THR A 126 1.009 -11.741 -0.029 1.00 70.33 C ATOM 2001 O THR A 126 2.162 -11.583 -0.424 1.00 31.30 O ATOM 2002 CB THR A 126 -0.768 -11.535 -1.788 1.00 43.20 C ATOM 2003 OG1 THR A 126 -1.776 -12.234 -2.532 1.00 71.54 O ATOM 2004 CG2 THR A 126 0.178 -10.834 -2.756 1.00 23.33 C ATOM 0 H THR A 126 -1.896 -12.884 -0.004 1.00 3.00 H new ATOM 0 HA THR A 126 0.514 -13.258 -1.475 1.00 43.43 H new ATOM 0 HB THR A 126 -1.229 -10.778 -1.153 1.00 43.20 H new ATOM 0 HG1 THR A 126 -1.574 -12.178 -3.489 1.00 71.54 H new ATOM 0 HG21 THR A 126 -0.389 -10.148 -3.386 1.00 23.33 H new ATOM 0 HG22 THR A 126 0.926 -10.276 -2.193 1.00 23.33 H new ATOM 0 HG23 THR A 126 0.674 -11.576 -3.382 1.00 23.33 H new ATOM 2012 N ASP A 127 0.571 -11.260 1.131 1.00 41.24 N ATOM 2013 CA ASP A 127 1.420 -10.485 2.040 1.00 61.15 C ATOM 2014 C ASP A 127 2.642 -11.302 2.490 1.00 73.45 C ATOM 2015 O ASP A 127 3.783 -10.848 2.379 1.00 1.31 O ATOM 2016 CB ASP A 127 0.587 -10.040 3.248 1.00 24.02 C ATOM 2017 CG ASP A 127 1.398 -9.313 4.304 1.00 3.31 C ATOM 2018 OD1 ASP A 127 1.997 -8.268 3.988 1.00 72.12 O ATOM 2019 OD2 ASP A 127 1.448 -9.793 5.456 1.00 40.41 O ATOM 0 H ASP A 127 -0.381 -11.395 1.470 1.00 41.24 H new ATOM 0 HA ASP A 127 1.794 -9.606 1.515 1.00 61.15 H new ATOM 0 HB2 ASP A 127 -0.217 -9.388 2.905 1.00 24.02 H new ATOM 0 HB3 ASP A 127 0.118 -10.915 3.699 1.00 24.02 H new ATOM 2024 N VAL A 128 2.400 -12.515 2.985 1.00 3.44 N ATOM 2025 CA VAL A 128 3.492 -13.423 3.349 1.00 51.35 C ATOM 2026 C VAL A 128 4.305 -13.817 2.107 1.00 13.43 C ATOM 2027 O VAL A 128 5.535 -13.724 2.100 1.00 34.11 O ATOM 2028 CB VAL A 128 2.971 -14.709 4.044 1.00 64.45 C ATOM 2029 CG1 VAL A 128 4.132 -15.637 4.411 1.00 34.32 C ATOM 2030 CG2 VAL A 128 2.139 -14.362 5.280 1.00 32.34 C ATOM 0 H VAL A 128 1.465 -12.892 3.143 1.00 3.44 H new ATOM 0 HA VAL A 128 4.128 -12.885 4.052 1.00 51.35 H new ATOM 0 HB VAL A 128 2.326 -15.236 3.341 1.00 64.45 H new ATOM 0 HG11 VAL A 128 3.743 -16.532 4.897 1.00 34.32 H new ATOM 0 HG12 VAL A 128 4.671 -15.920 3.507 1.00 34.32 H new ATOM 0 HG13 VAL A 128 4.810 -15.121 5.091 1.00 34.32 H new ATOM 0 HG21 VAL A 128 1.785 -15.280 5.750 1.00 32.34 H new ATOM 0 HG22 VAL A 128 2.754 -13.806 5.988 1.00 32.34 H new ATOM 0 HG23 VAL A 128 1.285 -13.753 4.984 1.00 32.34 H new ATOM 2040 N LEU A 129 3.596 -14.230 1.053 1.00 2.31 N ATOM 2041 CA LEU A 129 4.213 -14.650 -0.214 1.00 11.24 C ATOM 2042 C LEU A 129 5.249 -13.622 -0.716 1.00 55.41 C ATOM 2043 O LEU A 129 6.403 -13.964 -0.990 1.00 52.33 O ATOM 2044 CB LEU A 129 3.105 -14.839 -1.264 1.00 72.21 C ATOM 2045 CG LEU A 129 3.570 -15.296 -2.654 1.00 62.12 C ATOM 2046 CD1 LEU A 129 4.196 -16.684 -2.587 1.00 42.42 C ATOM 2047 CD2 LEU A 129 2.408 -15.269 -3.650 1.00 73.34 C ATOM 0 H LEU A 129 2.577 -14.284 1.051 1.00 2.31 H new ATOM 0 HA LEU A 129 4.743 -15.588 -0.048 1.00 11.24 H new ATOM 0 HB2 LEU A 129 2.391 -15.569 -0.883 1.00 72.21 H new ATOM 0 HB3 LEU A 129 2.570 -13.896 -1.373 1.00 72.21 H new ATOM 0 HG LEU A 129 4.332 -14.599 -3.003 1.00 62.12 H new ATOM 0 HD11 LEU A 129 4.518 -16.986 -3.584 1.00 42.42 H new ATOM 0 HD12 LEU A 129 5.057 -16.663 -1.919 1.00 42.42 H new ATOM 0 HD13 LEU A 129 3.462 -17.396 -2.211 1.00 42.42 H new ATOM 0 HD21 LEU A 129 2.760 -15.596 -4.628 1.00 73.34 H new ATOM 0 HD22 LEU A 129 1.618 -15.937 -3.306 1.00 73.34 H new ATOM 0 HD23 LEU A 129 2.017 -14.254 -3.726 1.00 73.34 H new ATOM 2059 N VAL A 130 4.830 -12.364 -0.811 1.00 1.31 N ATOM 2060 CA VAL A 130 5.716 -11.272 -1.224 1.00 23.33 C ATOM 2061 C VAL A 130 6.824 -11.020 -0.185 1.00 52.23 C ATOM 2062 O VAL A 130 8.007 -11.012 -0.518 1.00 34.14 O ATOM 2063 CB VAL A 130 4.911 -9.965 -1.456 1.00 53.44 C ATOM 2064 CG1 VAL A 130 5.836 -8.765 -1.660 1.00 55.01 C ATOM 2065 CG2 VAL A 130 3.967 -10.126 -2.648 1.00 4.41 C ATOM 0 H VAL A 130 3.875 -12.070 -0.606 1.00 1.31 H new ATOM 0 HA VAL A 130 6.184 -11.574 -2.161 1.00 23.33 H new ATOM 0 HB VAL A 130 4.318 -9.775 -0.561 1.00 53.44 H new ATOM 0 HG11 VAL A 130 5.238 -7.868 -1.820 1.00 55.01 H new ATOM 0 HG12 VAL A 130 6.460 -8.633 -0.776 1.00 55.01 H new ATOM 0 HG13 VAL A 130 6.470 -8.938 -2.530 1.00 55.01 H new ATOM 0 HG21 VAL A 130 3.410 -9.201 -2.798 1.00 4.41 H new ATOM 0 HG22 VAL A 130 4.547 -10.350 -3.544 1.00 4.41 H new ATOM 0 HG23 VAL A 130 3.271 -10.942 -2.453 1.00 4.41 H new ATOM 2075 N ARG A 131 6.434 -10.841 1.075 1.00 34.23 N ATOM 2076 CA ARG A 131 7.383 -10.507 2.147 1.00 51.43 C ATOM 2077 C ARG A 131 8.628 -11.417 2.151 1.00 1.24 C ATOM 2078 O ARG A 131 9.757 -10.930 2.254 1.00 64.33 O ATOM 2079 CB ARG A 131 6.680 -10.571 3.512 1.00 71.11 C ATOM 2080 CG ARG A 131 7.612 -10.377 4.706 1.00 42.13 C ATOM 2081 CD ARG A 131 6.845 -10.298 6.022 1.00 42.12 C ATOM 2082 NE ARG A 131 6.005 -9.102 6.103 1.00 32.14 N ATOM 2083 CZ ARG A 131 4.702 -9.114 6.036 1.00 13.24 C ATOM 2084 NH1 ARG A 131 4.062 -10.233 5.916 1.00 63.14 N ATOM 2085 NH2 ARG A 131 4.037 -8.008 6.108 1.00 71.13 N ATOM 0 H ARG A 131 5.465 -10.921 1.384 1.00 34.23 H new ATOM 0 HA ARG A 131 7.732 -9.492 1.956 1.00 51.43 H new ATOM 0 HB2 ARG A 131 5.903 -9.807 3.544 1.00 71.11 H new ATOM 0 HB3 ARG A 131 6.182 -11.536 3.607 1.00 71.11 H new ATOM 0 HG2 ARG A 131 8.322 -11.203 4.749 1.00 42.13 H new ATOM 0 HG3 ARG A 131 8.192 -9.464 4.569 1.00 42.13 H new ATOM 0 HD2 ARG A 131 6.222 -11.185 6.131 1.00 42.12 H new ATOM 0 HD3 ARG A 131 7.551 -10.301 6.852 1.00 42.12 H new ATOM 0 HE ARG A 131 6.468 -8.201 6.219 1.00 32.14 H new ATOM 0 HH11 ARG A 131 4.576 -11.113 5.873 1.00 63.14 H new ATOM 0 HH12 ARG A 131 3.043 -10.235 5.864 1.00 63.14 H new ATOM 0 HH21 ARG A 131 4.531 -7.122 6.218 1.00 71.13 H new ATOM 0 HH22 ARG A 131 3.018 -8.021 6.055 1.00 71.13 H new ATOM 2099 N THR A 132 8.429 -12.729 2.026 1.00 50.51 N ATOM 2100 CA THR A 132 9.546 -13.681 2.151 1.00 21.32 C ATOM 2101 C THR A 132 10.105 -14.179 0.798 1.00 52.44 C ATOM 2102 O THR A 132 11.288 -14.517 0.713 1.00 11.30 O ATOM 2103 CB THR A 132 9.166 -14.897 3.037 1.00 51.11 C ATOM 2104 OG1 THR A 132 10.218 -15.871 3.024 1.00 73.01 O ATOM 2105 CG2 THR A 132 7.861 -15.546 2.588 1.00 3.01 C ATOM 0 H THR A 132 7.522 -13.158 1.841 1.00 50.51 H new ATOM 0 HA THR A 132 10.341 -13.112 2.633 1.00 21.32 H new ATOM 0 HB THR A 132 9.023 -14.524 4.051 1.00 51.11 H new ATOM 0 HG1 THR A 132 9.966 -16.632 3.588 1.00 73.01 H new ATOM 0 HG21 THR A 132 7.634 -16.393 3.236 1.00 3.01 H new ATOM 0 HG22 THR A 132 7.053 -14.817 2.647 1.00 3.01 H new ATOM 0 HG23 THR A 132 7.962 -15.893 1.560 1.00 3.01 H new ATOM 2113 N LYS A 133 9.285 -14.237 -0.260 1.00 74.41 N ATOM 2114 CA LYS A 133 9.767 -14.739 -1.570 1.00 24.33 C ATOM 2115 C LYS A 133 9.392 -13.824 -2.757 1.00 1.44 C ATOM 2116 O LYS A 133 9.235 -14.301 -3.884 1.00 14.41 O ATOM 2117 CB LYS A 133 9.260 -16.176 -1.837 1.00 52.51 C ATOM 2118 CG LYS A 133 10.060 -17.273 -1.121 1.00 75.04 C ATOM 2119 CD LYS A 133 9.597 -17.498 0.315 1.00 62.45 C ATOM 2120 CE LYS A 133 10.620 -18.286 1.128 1.00 15.41 C ATOM 2121 NZ LYS A 133 11.834 -17.475 1.429 1.00 44.42 N ATOM 0 H LYS A 133 8.306 -13.952 -0.246 1.00 74.41 H new ATOM 0 HA LYS A 133 10.855 -14.741 -1.500 1.00 24.33 H new ATOM 0 HB2 LYS A 133 8.217 -16.244 -1.528 1.00 52.51 H new ATOM 0 HB3 LYS A 133 9.288 -16.365 -2.910 1.00 52.51 H new ATOM 0 HG2 LYS A 133 9.969 -18.205 -1.678 1.00 75.04 H new ATOM 0 HG3 LYS A 133 11.116 -17.004 -1.120 1.00 75.04 H new ATOM 0 HD2 LYS A 133 9.418 -16.535 0.793 1.00 62.45 H new ATOM 0 HD3 LYS A 133 8.648 -18.033 0.310 1.00 62.45 H new ATOM 0 HE2 LYS A 133 10.165 -18.618 2.061 1.00 15.41 H new ATOM 0 HE3 LYS A 133 10.909 -19.182 0.578 1.00 15.41 H new ATOM 0 HZ1 LYS A 133 12.519 -18.056 1.953 1.00 44.42 H new ATOM 0 HZ2 LYS A 133 12.264 -17.151 0.539 1.00 44.42 H new ATOM 0 HZ3 LYS A 133 11.567 -16.651 2.005 1.00 44.42 H new ATOM 2135 N ARG A 134 9.297 -12.515 -2.521 1.00 63.25 N ATOM 2136 CA ARG A 134 9.030 -11.547 -3.603 1.00 30.55 C ATOM 2137 C ARG A 134 10.048 -11.679 -4.751 1.00 50.03 C ATOM 2138 O ARG A 134 9.682 -11.670 -5.930 1.00 0.42 O ATOM 2139 CB ARG A 134 9.067 -10.115 -3.053 1.00 43.42 C ATOM 2140 CG ARG A 134 8.915 -9.028 -4.112 1.00 13.22 C ATOM 2141 CD ARG A 134 7.622 -9.181 -4.913 1.00 62.44 C ATOM 2142 NE ARG A 134 7.436 -8.112 -5.891 1.00 35.02 N ATOM 2143 CZ ARG A 134 8.191 -7.925 -6.942 1.00 42.23 C ATOM 2144 NH1 ARG A 134 9.224 -8.677 -7.167 1.00 61.04 N ATOM 2145 NH2 ARG A 134 7.899 -6.981 -7.771 1.00 73.43 N ATOM 0 H ARG A 134 9.399 -12.095 -1.597 1.00 63.25 H new ATOM 0 HA ARG A 134 8.039 -11.767 -3.999 1.00 30.55 H new ATOM 0 HB2 ARG A 134 8.272 -10.001 -2.317 1.00 43.42 H new ATOM 0 HB3 ARG A 134 10.011 -9.965 -2.529 1.00 43.42 H new ATOM 0 HG2 ARG A 134 8.929 -8.050 -3.631 1.00 13.22 H new ATOM 0 HG3 ARG A 134 9.767 -9.062 -4.791 1.00 13.22 H new ATOM 0 HD2 ARG A 134 7.630 -10.142 -5.428 1.00 62.44 H new ATOM 0 HD3 ARG A 134 6.774 -9.193 -4.228 1.00 62.44 H new ATOM 0 HE ARG A 134 6.661 -7.465 -5.743 1.00 35.02 H new ATOM 0 HH11 ARG A 134 9.458 -9.429 -6.519 1.00 61.04 H new ATOM 0 HH12 ARG A 134 9.802 -8.516 -7.992 1.00 61.04 H new ATOM 0 HH21 ARG A 134 7.086 -6.389 -7.604 1.00 73.43 H new ATOM 0 HH22 ARG A 134 8.481 -6.827 -8.594 1.00 73.43 H new ATOM 2159 N ASP A 135 11.323 -11.771 -4.392 1.00 11.42 N ATOM 2160 CA ASP A 135 12.400 -11.939 -5.373 1.00 21.22 C ATOM 2161 C ASP A 135 12.212 -13.217 -6.212 1.00 30.11 C ATOM 2162 O ASP A 135 12.247 -13.175 -7.440 1.00 33.45 O ATOM 2163 CB ASP A 135 13.755 -11.975 -4.656 1.00 25.35 C ATOM 2164 CG ASP A 135 14.920 -12.098 -5.621 1.00 1.22 C ATOM 2165 OD1 ASP A 135 15.233 -11.102 -6.306 1.00 22.04 O ATOM 2166 OD2 ASP A 135 15.522 -13.190 -5.704 1.00 62.35 O ATOM 0 H ASP A 135 11.642 -11.732 -3.424 1.00 11.42 H new ATOM 0 HA ASP A 135 12.369 -11.089 -6.054 1.00 21.22 H new ATOM 0 HB2 ASP A 135 13.873 -11.068 -4.063 1.00 25.35 H new ATOM 0 HB3 ASP A 135 13.773 -12.815 -3.961 1.00 25.35 H new ATOM 2171 N TRP A 136 11.998 -14.348 -5.545 1.00 45.23 N ATOM 2172 CA TRP A 136 11.829 -15.634 -6.239 1.00 33.54 C ATOM 2173 C TRP A 136 10.663 -15.598 -7.240 1.00 2.42 C ATOM 2174 O TRP A 136 10.743 -16.188 -8.320 1.00 41.04 O ATOM 2175 CB TRP A 136 11.622 -16.766 -5.227 1.00 30.43 C ATOM 2176 CG TRP A 136 12.826 -17.016 -4.368 1.00 5.01 C ATOM 2177 CD1 TRP A 136 13.036 -16.576 -3.093 1.00 74.21 C ATOM 2178 CD2 TRP A 136 13.997 -17.756 -4.735 1.00 34.32 C ATOM 2179 NE1 TRP A 136 14.259 -17.005 -2.643 1.00 40.32 N ATOM 2180 CE2 TRP A 136 14.870 -17.730 -3.632 1.00 74.14 C ATOM 2181 CE3 TRP A 136 14.389 -18.444 -5.889 1.00 72.45 C ATOM 2182 CZ2 TRP A 136 16.110 -18.364 -3.651 1.00 14.21 C ATOM 2183 CZ3 TRP A 136 15.622 -19.069 -5.907 1.00 31.12 C ATOM 2184 CH2 TRP A 136 16.470 -19.027 -4.793 1.00 15.41 C ATOM 0 H TRP A 136 11.937 -14.407 -4.529 1.00 45.23 H new ATOM 0 HA TRP A 136 12.743 -15.820 -6.803 1.00 33.54 H new ATOM 0 HB2 TRP A 136 10.772 -16.524 -4.589 1.00 30.43 H new ATOM 0 HB3 TRP A 136 11.368 -17.681 -5.762 1.00 30.43 H new ATOM 0 HD1 TRP A 136 12.341 -15.978 -2.522 1.00 74.21 H new ATOM 0 HE1 TRP A 136 14.650 -16.815 -1.720 1.00 40.32 H new ATOM 0 HE3 TRP A 136 13.739 -18.486 -6.751 1.00 72.45 H new ATOM 0 HZ2 TRP A 136 16.766 -18.333 -2.793 1.00 14.21 H new ATOM 0 HZ3 TRP A 136 15.936 -19.598 -6.794 1.00 31.12 H new ATOM 0 HH2 TRP A 136 17.426 -19.527 -4.836 1.00 15.41 H new ATOM 2195 N LEU A 137 9.590 -14.898 -6.876 1.00 60.44 N ATOM 2196 CA LEU A 137 8.428 -14.735 -7.760 1.00 64.13 C ATOM 2197 C LEU A 137 8.812 -14.105 -9.112 1.00 72.44 C ATOM 2198 O LEU A 137 8.422 -14.603 -10.166 1.00 72.13 O ATOM 2199 CB LEU A 137 7.359 -13.875 -7.077 1.00 10.23 C ATOM 2200 CG LEU A 137 6.590 -14.546 -5.928 1.00 74.32 C ATOM 2201 CD1 LEU A 137 5.725 -13.522 -5.200 1.00 13.23 C ATOM 2202 CD2 LEU A 137 5.729 -15.693 -6.454 1.00 63.41 C ATOM 0 H LEU A 137 9.497 -14.432 -5.973 1.00 60.44 H new ATOM 0 HA LEU A 137 8.031 -15.731 -7.957 1.00 64.13 H new ATOM 0 HB2 LEU A 137 7.837 -12.974 -6.691 1.00 10.23 H new ATOM 0 HB3 LEU A 137 6.640 -13.556 -7.832 1.00 10.23 H new ATOM 0 HG LEU A 137 7.313 -14.956 -5.223 1.00 74.32 H new ATOM 0 HD11 LEU A 137 5.186 -14.012 -4.389 1.00 13.23 H new ATOM 0 HD12 LEU A 137 6.359 -12.735 -4.791 1.00 13.23 H new ATOM 0 HD13 LEU A 137 5.011 -13.086 -5.899 1.00 13.23 H new ATOM 0 HD21 LEU A 137 5.193 -16.155 -5.625 1.00 63.41 H new ATOM 0 HD22 LEU A 137 5.013 -15.307 -7.180 1.00 63.41 H new ATOM 0 HD23 LEU A 137 6.366 -16.436 -6.933 1.00 63.41 H new ATOM 2214 N VAL A 138 9.570 -13.010 -9.083 1.00 25.00 N ATOM 2215 CA VAL A 138 9.975 -12.331 -10.322 1.00 34.33 C ATOM 2216 C VAL A 138 11.123 -13.077 -11.034 1.00 44.12 C ATOM 2217 O VAL A 138 11.157 -13.151 -12.264 1.00 14.22 O ATOM 2218 CB VAL A 138 10.379 -10.853 -10.063 1.00 22.43 C ATOM 2219 CG1 VAL A 138 11.582 -10.761 -9.127 1.00 34.43 C ATOM 2220 CG2 VAL A 138 10.651 -10.126 -11.381 1.00 61.31 C ATOM 0 H VAL A 138 9.915 -12.575 -8.228 1.00 25.00 H new ATOM 0 HA VAL A 138 9.104 -12.338 -10.978 1.00 34.33 H new ATOM 0 HB VAL A 138 9.541 -10.360 -9.570 1.00 22.43 H new ATOM 0 HG11 VAL A 138 11.839 -9.714 -8.966 1.00 34.43 H new ATOM 0 HG12 VAL A 138 11.336 -11.225 -8.172 1.00 34.43 H new ATOM 0 HG13 VAL A 138 12.431 -11.278 -9.574 1.00 34.43 H new ATOM 0 HG21 VAL A 138 10.932 -9.093 -11.176 1.00 61.31 H new ATOM 0 HG22 VAL A 138 11.463 -10.624 -11.911 1.00 61.31 H new ATOM 0 HG23 VAL A 138 9.752 -10.142 -11.997 1.00 61.31 H new ATOM 2230 N LYS A 139 12.050 -13.643 -10.258 1.00 32.00 N ATOM 2231 CA LYS A 139 13.181 -14.400 -10.820 1.00 2.24 C ATOM 2232 C LYS A 139 12.708 -15.594 -11.662 1.00 75.10 C ATOM 2233 O LYS A 139 13.098 -15.748 -12.819 1.00 43.41 O ATOM 2234 CB LYS A 139 14.105 -14.905 -9.698 1.00 74.03 C ATOM 2235 CG LYS A 139 14.854 -13.802 -8.957 1.00 44.30 C ATOM 2236 CD LYS A 139 15.839 -13.067 -9.864 1.00 62.33 C ATOM 2237 CE LYS A 139 16.605 -11.986 -9.109 1.00 40.23 C ATOM 2238 NZ LYS A 139 17.555 -11.255 -9.989 1.00 11.15 N ATOM 0 H LYS A 139 12.044 -13.594 -9.239 1.00 32.00 H new ATOM 0 HA LYS A 139 13.730 -13.718 -11.469 1.00 2.24 H new ATOM 0 HB2 LYS A 139 13.510 -15.470 -8.980 1.00 74.03 H new ATOM 0 HB3 LYS A 139 14.831 -15.597 -10.125 1.00 74.03 H new ATOM 0 HG2 LYS A 139 14.138 -13.090 -8.548 1.00 44.30 H new ATOM 0 HG3 LYS A 139 15.392 -14.234 -8.113 1.00 44.30 H new ATOM 0 HD2 LYS A 139 16.543 -13.781 -10.290 1.00 62.33 H new ATOM 0 HD3 LYS A 139 15.299 -12.616 -10.697 1.00 62.33 H new ATOM 0 HE2 LYS A 139 15.899 -11.280 -8.673 1.00 40.23 H new ATOM 0 HE3 LYS A 139 17.153 -12.440 -8.283 1.00 40.23 H new ATOM 0 HZ1 LYS A 139 18.054 -10.530 -9.435 1.00 11.15 H new ATOM 0 HZ2 LYS A 139 18.246 -11.924 -10.386 1.00 11.15 H new ATOM 0 HZ3 LYS A 139 17.031 -10.799 -10.763 1.00 11.15 H new ATOM 2252 N GLN A 140 11.865 -16.437 -11.073 1.00 21.03 N ATOM 2253 CA GLN A 140 11.418 -17.670 -11.732 1.00 43.40 C ATOM 2254 C GLN A 140 10.092 -17.477 -12.481 1.00 23.20 C ATOM 2255 O GLN A 140 9.519 -18.441 -12.994 1.00 53.24 O ATOM 2256 CB GLN A 140 11.274 -18.791 -10.691 1.00 14.31 C ATOM 2257 CG GLN A 140 12.519 -18.991 -9.830 1.00 21.40 C ATOM 2258 CD GLN A 140 13.758 -19.340 -10.643 1.00 2.54 C ATOM 2259 OE1 GLN A 140 13.678 -19.995 -11.676 1.00 44.13 O ATOM 2260 NE2 GLN A 140 14.913 -18.895 -10.188 1.00 73.21 N ATOM 0 H GLN A 140 11.475 -16.293 -10.141 1.00 21.03 H new ATOM 0 HA GLN A 140 12.172 -17.943 -12.470 1.00 43.40 H new ATOM 0 HB2 GLN A 140 10.427 -18.567 -10.043 1.00 14.31 H new ATOM 0 HB3 GLN A 140 11.044 -19.725 -11.204 1.00 14.31 H new ATOM 0 HG2 GLN A 140 12.710 -18.081 -9.261 1.00 21.40 H new ATOM 0 HG3 GLN A 140 12.330 -19.785 -9.108 1.00 21.40 H new ATOM 0 HE21 GLN A 140 14.946 -18.352 -9.325 1.00 73.21 H new ATOM 0 HE22 GLN A 140 15.773 -19.093 -10.699 1.00 73.21 H new ATOM 2269 N ARG A 141 9.623 -16.228 -12.553 1.00 44.53 N ATOM 2270 CA ARG A 141 8.349 -15.905 -13.213 1.00 42.12 C ATOM 2271 C ARG A 141 7.214 -16.776 -12.649 1.00 42.11 C ATOM 2272 O ARG A 141 6.491 -17.435 -13.394 1.00 50.04 O ATOM 2273 CB ARG A 141 8.476 -16.090 -14.734 1.00 30.11 C ATOM 2274 CG ARG A 141 9.685 -15.376 -15.334 1.00 61.13 C ATOM 2275 CD ARG A 141 9.730 -15.512 -16.852 1.00 33.13 C ATOM 2276 NE ARG A 141 10.917 -14.880 -17.423 1.00 72.53 N ATOM 2277 CZ ARG A 141 11.322 -15.054 -18.652 1.00 44.52 C ATOM 2278 NH1 ARG A 141 10.666 -15.822 -19.460 1.00 22.13 N ATOM 2279 NH2 ARG A 141 12.389 -14.453 -19.064 1.00 61.25 N ATOM 0 H ARG A 141 10.106 -15.420 -12.162 1.00 44.53 H new ATOM 0 HA ARG A 141 8.106 -14.861 -13.013 1.00 42.12 H new ATOM 0 HB2 ARG A 141 8.544 -17.154 -14.958 1.00 30.11 H new ATOM 0 HB3 ARG A 141 7.570 -15.720 -15.214 1.00 30.11 H new ATOM 0 HG2 ARG A 141 9.654 -14.320 -15.065 1.00 61.13 H new ATOM 0 HG3 ARG A 141 10.599 -15.787 -14.905 1.00 61.13 H new ATOM 0 HD2 ARG A 141 9.716 -16.568 -17.122 1.00 33.13 H new ATOM 0 HD3 ARG A 141 8.836 -15.061 -17.283 1.00 33.13 H new ATOM 0 HE ARG A 141 11.465 -14.263 -16.823 1.00 72.53 H new ATOM 0 HH11 ARG A 141 9.823 -16.299 -19.139 1.00 22.13 H new ATOM 0 HH12 ARG A 141 10.991 -15.951 -20.418 1.00 22.13 H new ATOM 0 HH21 ARG A 141 12.910 -13.847 -18.430 1.00 61.25 H new ATOM 0 HH22 ARG A 141 12.711 -14.585 -20.023 1.00 61.25 H new ATOM 2293 N GLY A 142 7.070 -16.727 -11.321 1.00 40.53 N ATOM 2294 CA GLY A 142 6.190 -17.625 -10.569 1.00 64.11 C ATOM 2295 C GLY A 142 4.941 -18.106 -11.303 1.00 71.21 C ATOM 2296 O GLY A 142 4.735 -19.306 -11.448 1.00 53.35 O ATOM 0 H GLY A 142 7.566 -16.057 -10.733 1.00 40.53 H new ATOM 0 HA2 GLY A 142 6.768 -18.498 -10.266 1.00 64.11 H new ATOM 0 HA3 GLY A 142 5.878 -17.116 -9.657 1.00 64.11 H new ATOM 2300 N TRP A 143 4.115 -17.179 -11.776 1.00 0.43 N ATOM 2301 CA TRP A 143 2.826 -17.538 -12.380 1.00 74.51 C ATOM 2302 C TRP A 143 2.987 -18.245 -13.739 1.00 54.32 C ATOM 2303 O TRP A 143 2.321 -19.248 -14.000 1.00 31.42 O ATOM 2304 CB TRP A 143 1.935 -16.293 -12.495 1.00 2.52 C ATOM 2305 CG TRP A 143 1.736 -15.601 -11.173 1.00 63.43 C ATOM 2306 CD1 TRP A 143 1.892 -14.270 -10.903 1.00 71.13 C ATOM 2307 CD2 TRP A 143 1.371 -16.220 -9.929 1.00 62.03 C ATOM 2308 NE1 TRP A 143 1.643 -14.025 -9.574 1.00 35.55 N ATOM 2309 CE2 TRP A 143 1.323 -15.206 -8.956 1.00 64.22 C ATOM 2310 CE3 TRP A 143 1.078 -17.534 -9.543 1.00 72.34 C ATOM 2311 CZ2 TRP A 143 0.997 -15.463 -7.628 1.00 13.41 C ATOM 2312 CZ3 TRP A 143 0.757 -17.788 -8.224 1.00 64.14 C ATOM 2313 CH2 TRP A 143 0.718 -16.756 -7.279 1.00 71.44 C ATOM 0 H TRP A 143 4.308 -16.178 -11.756 1.00 0.43 H new ATOM 0 HA TRP A 143 2.340 -18.258 -11.721 1.00 74.51 H new ATOM 0 HB2 TRP A 143 2.382 -15.595 -13.203 1.00 2.52 H new ATOM 0 HB3 TRP A 143 0.965 -16.581 -12.900 1.00 2.52 H new ATOM 0 HD1 TRP A 143 2.170 -13.520 -11.629 1.00 71.13 H new ATOM 0 HE1 TRP A 143 1.689 -13.112 -9.121 1.00 35.55 H new ATOM 0 HE3 TRP A 143 1.103 -18.336 -10.266 1.00 72.34 H new ATOM 0 HZ2 TRP A 143 0.965 -14.668 -6.897 1.00 13.41 H new ATOM 0 HZ3 TRP A 143 0.533 -18.799 -7.917 1.00 64.14 H new ATOM 0 HH2 TRP A 143 0.463 -16.985 -6.255 1.00 71.44 H new ATOM 2324 N ASP A 144 3.870 -17.736 -14.599 1.00 54.23 N ATOM 2325 CA ASP A 144 4.175 -18.407 -15.871 1.00 33.32 C ATOM 2326 C ASP A 144 4.840 -19.773 -15.632 1.00 22.20 C ATOM 2327 O ASP A 144 4.406 -20.794 -16.175 1.00 74.43 O ATOM 2328 CB ASP A 144 5.082 -17.528 -16.739 1.00 12.41 C ATOM 2329 CG ASP A 144 4.352 -16.330 -17.319 1.00 54.42 C ATOM 2330 OD1 ASP A 144 4.292 -15.283 -16.652 1.00 71.42 O ATOM 2331 OD2 ASP A 144 3.841 -16.433 -18.459 1.00 43.32 O ATOM 0 H ASP A 144 4.385 -16.869 -14.444 1.00 54.23 H new ATOM 0 HA ASP A 144 3.233 -18.570 -16.395 1.00 33.32 H new ATOM 0 HB2 ASP A 144 5.925 -17.181 -16.142 1.00 12.41 H new ATOM 0 HB3 ASP A 144 5.493 -18.127 -17.552 1.00 12.41 H new ATOM 2336 N GLY A 145 5.893 -19.777 -14.812 1.00 61.14 N ATOM 2337 CA GLY A 145 6.592 -21.011 -14.470 1.00 41.11 C ATOM 2338 C GLY A 145 5.675 -22.056 -13.849 1.00 20.43 C ATOM 2339 O GLY A 145 5.798 -23.248 -14.124 1.00 3.13 O ATOM 0 H GLY A 145 6.278 -18.940 -14.375 1.00 61.14 H new ATOM 0 HA2 GLY A 145 7.050 -21.424 -15.368 1.00 41.11 H new ATOM 0 HA3 GLY A 145 7.400 -20.785 -13.775 1.00 41.11 H new ATOM 2343 N PHE A 146 4.751 -21.596 -13.017 1.00 63.13 N ATOM 2344 CA PHE A 146 3.750 -22.460 -12.387 1.00 13.02 C ATOM 2345 C PHE A 146 2.912 -23.211 -13.436 1.00 3.45 C ATOM 2346 O PHE A 146 2.819 -24.442 -13.414 1.00 32.31 O ATOM 2347 CB PHE A 146 2.852 -21.599 -11.484 1.00 64.04 C ATOM 2348 CG PHE A 146 1.662 -22.313 -10.895 1.00 60.34 C ATOM 2349 CD1 PHE A 146 1.831 -23.379 -10.024 1.00 64.23 C ATOM 2350 CD2 PHE A 146 0.372 -21.899 -11.198 1.00 32.42 C ATOM 2351 CE1 PHE A 146 0.739 -24.019 -9.473 1.00 35.34 C ATOM 2352 CE2 PHE A 146 -0.722 -22.536 -10.651 1.00 1.42 C ATOM 2353 CZ PHE A 146 -0.539 -23.598 -9.786 1.00 4.41 C ATOM 0 H PHE A 146 4.670 -20.613 -12.757 1.00 63.13 H new ATOM 0 HA PHE A 146 4.259 -23.216 -11.788 1.00 13.02 H new ATOM 0 HB2 PHE A 146 3.457 -21.202 -10.669 1.00 64.04 H new ATOM 0 HB3 PHE A 146 2.495 -20.746 -12.061 1.00 64.04 H new ATOM 0 HD1 PHE A 146 2.828 -23.712 -9.774 1.00 64.23 H new ATOM 0 HD2 PHE A 146 0.223 -21.067 -11.871 1.00 32.42 H new ATOM 0 HE1 PHE A 146 0.884 -24.849 -8.797 1.00 35.34 H new ATOM 0 HE2 PHE A 146 -1.720 -22.205 -10.898 1.00 1.42 H new ATOM 0 HZ PHE A 146 -1.394 -24.098 -9.355 1.00 4.41 H new ATOM 2363 N VAL A 147 2.323 -22.465 -14.367 1.00 32.20 N ATOM 2364 CA VAL A 147 1.452 -23.050 -15.391 1.00 41.35 C ATOM 2365 C VAL A 147 2.226 -23.973 -16.354 1.00 42.22 C ATOM 2366 O VAL A 147 1.747 -25.056 -16.704 1.00 64.31 O ATOM 2367 CB VAL A 147 0.719 -21.951 -16.202 1.00 54.15 C ATOM 2368 CG1 VAL A 147 -0.299 -22.565 -17.161 1.00 72.44 C ATOM 2369 CG2 VAL A 147 0.042 -20.953 -15.265 1.00 64.44 C ATOM 0 H VAL A 147 2.431 -21.453 -14.436 1.00 32.20 H new ATOM 0 HA VAL A 147 0.715 -23.653 -14.860 1.00 41.35 H new ATOM 0 HB VAL A 147 1.462 -21.418 -16.795 1.00 54.15 H new ATOM 0 HG11 VAL A 147 -0.799 -21.772 -17.717 1.00 72.44 H new ATOM 0 HG12 VAL A 147 0.212 -23.230 -17.857 1.00 72.44 H new ATOM 0 HG13 VAL A 147 -1.038 -23.131 -16.594 1.00 72.44 H new ATOM 0 HG21 VAL A 147 -0.467 -20.189 -15.853 1.00 64.44 H new ATOM 0 HG22 VAL A 147 -0.684 -21.474 -14.641 1.00 64.44 H new ATOM 0 HG23 VAL A 147 0.793 -20.482 -14.631 1.00 64.44 H new ATOM 2379 N GLU A 148 3.423 -23.551 -16.782 1.00 44.25 N ATOM 2380 CA GLU A 148 4.235 -24.370 -17.695 1.00 23.45 C ATOM 2381 C GLU A 148 4.795 -25.619 -16.988 1.00 63.20 C ATOM 2382 O GLU A 148 4.922 -26.679 -17.601 1.00 14.45 O ATOM 2383 CB GLU A 148 5.386 -23.553 -18.316 1.00 53.42 C ATOM 2384 CG GLU A 148 6.440 -23.087 -17.315 1.00 13.52 C ATOM 2385 CD GLU A 148 7.639 -22.414 -17.975 1.00 15.42 C ATOM 2386 OE1 GLU A 148 7.481 -21.301 -18.523 1.00 32.40 O ATOM 2387 OE2 GLU A 148 8.747 -22.998 -17.955 1.00 34.52 O ATOM 0 H GLU A 148 3.847 -22.662 -16.517 1.00 44.25 H new ATOM 0 HA GLU A 148 3.574 -24.697 -18.497 1.00 23.45 H new ATOM 0 HB2 GLU A 148 5.872 -24.157 -19.082 1.00 53.42 H new ATOM 0 HB3 GLU A 148 4.967 -22.680 -18.817 1.00 53.42 H new ATOM 0 HG2 GLU A 148 5.982 -22.391 -16.612 1.00 13.52 H new ATOM 0 HG3 GLU A 148 6.785 -23.943 -16.736 1.00 13.52 H new ATOM 2394 N PHE A 149 5.118 -25.494 -15.697 1.00 62.20 N ATOM 2395 CA PHE A 149 5.624 -26.628 -14.909 1.00 23.01 C ATOM 2396 C PHE A 149 4.575 -27.748 -14.828 1.00 20.14 C ATOM 2397 O PHE A 149 4.881 -28.921 -15.048 1.00 2.32 O ATOM 2398 CB PHE A 149 6.020 -26.166 -13.497 1.00 10.22 C ATOM 2399 CG PHE A 149 6.672 -27.238 -12.657 1.00 73.34 C ATOM 2400 CD1 PHE A 149 7.999 -27.589 -12.869 1.00 25.31 C ATOM 2401 CD2 PHE A 149 5.963 -27.893 -11.657 1.00 63.32 C ATOM 2402 CE1 PHE A 149 8.603 -28.568 -12.104 1.00 65.55 C ATOM 2403 CE2 PHE A 149 6.565 -28.872 -10.890 1.00 55.42 C ATOM 2404 CZ PHE A 149 7.886 -29.210 -11.113 1.00 53.22 C ATOM 0 H PHE A 149 5.039 -24.622 -15.174 1.00 62.20 H new ATOM 0 HA PHE A 149 6.508 -27.022 -15.410 1.00 23.01 H new ATOM 0 HB2 PHE A 149 6.703 -25.320 -13.581 1.00 10.22 H new ATOM 0 HB3 PHE A 149 5.130 -25.807 -12.981 1.00 10.22 H new ATOM 0 HD1 PHE A 149 8.566 -27.090 -13.641 1.00 25.31 H new ATOM 0 HD2 PHE A 149 4.930 -27.634 -11.477 1.00 63.32 H new ATOM 0 HE1 PHE A 149 9.635 -28.831 -12.281 1.00 65.55 H new ATOM 0 HE2 PHE A 149 6.003 -29.373 -10.116 1.00 55.42 H new ATOM 0 HZ PHE A 149 8.357 -29.975 -10.514 1.00 53.22 H new ATOM 2414 N PHE A 150 3.334 -27.374 -14.511 1.00 71.51 N ATOM 2415 CA PHE A 150 2.210 -28.322 -14.505 1.00 51.23 C ATOM 2416 C PHE A 150 1.681 -28.575 -15.929 1.00 74.24 C ATOM 2417 O PHE A 150 0.801 -29.412 -16.132 1.00 42.03 O ATOM 2418 CB PHE A 150 1.078 -27.802 -13.599 1.00 32.21 C ATOM 2419 CG PHE A 150 1.423 -27.819 -12.126 1.00 44.43 C ATOM 2420 CD1 PHE A 150 2.293 -26.881 -11.587 1.00 71.11 C ATOM 2421 CD2 PHE A 150 0.882 -28.781 -11.283 1.00 14.04 C ATOM 2422 CE1 PHE A 150 2.615 -26.902 -10.242 1.00 63.41 C ATOM 2423 CE2 PHE A 150 1.200 -28.803 -9.937 1.00 14.10 C ATOM 2424 CZ PHE A 150 2.068 -27.863 -9.416 1.00 21.42 C ATOM 0 H PHE A 150 3.078 -26.421 -14.254 1.00 71.51 H new ATOM 0 HA PHE A 150 2.574 -29.270 -14.110 1.00 51.23 H new ATOM 0 HB2 PHE A 150 0.828 -26.783 -13.893 1.00 32.21 H new ATOM 0 HB3 PHE A 150 0.187 -28.408 -13.762 1.00 32.21 H new ATOM 0 HD1 PHE A 150 2.724 -26.125 -12.226 1.00 71.11 H new ATOM 0 HD2 PHE A 150 0.205 -29.521 -11.683 1.00 14.04 H new ATOM 0 HE1 PHE A 150 3.295 -26.166 -9.838 1.00 63.41 H new ATOM 0 HE2 PHE A 150 0.769 -29.556 -9.293 1.00 14.10 H new ATOM 0 HZ PHE A 150 2.318 -27.880 -8.365 1.00 21.42 H new ATOM 2434 N HIS A 151 2.239 -27.845 -16.905 1.00 1.55 N ATOM 2435 CA HIS A 151 1.876 -27.955 -18.332 1.00 23.51 C ATOM 2436 C HIS A 151 0.352 -28.055 -18.560 1.00 54.43 C ATOM 2437 O HIS A 151 -0.110 -28.791 -19.435 1.00 24.14 O ATOM 2438 CB HIS A 151 2.616 -29.134 -19.002 1.00 71.22 C ATOM 2439 CG HIS A 151 2.186 -30.498 -18.544 1.00 31.50 C ATOM 2440 ND1 HIS A 151 1.072 -31.137 -19.043 1.00 21.02 N ATOM 2441 CD2 HIS A 151 2.727 -31.350 -17.640 1.00 31.00 C ATOM 2442 CE1 HIS A 151 0.946 -32.313 -18.469 1.00 42.11 C ATOM 2443 NE2 HIS A 151 1.936 -32.471 -17.615 1.00 30.41 N ATOM 0 H HIS A 151 2.965 -27.151 -16.727 1.00 1.55 H new ATOM 0 HA HIS A 151 2.198 -27.028 -18.806 1.00 23.51 H new ATOM 0 HB2 HIS A 151 2.472 -29.068 -20.080 1.00 71.22 H new ATOM 0 HB3 HIS A 151 3.684 -29.025 -18.816 1.00 71.22 H new ATOM 0 HD1 HIS A 151 0.442 -30.756 -19.749 1.00 21.02 H new ATOM 0 HD2 HIS A 151 3.615 -31.179 -17.049 1.00 31.00 H new ATOM 0 HE1 HIS A 151 0.162 -33.029 -18.665 1.00 42.11 H new ATOM 2452 N VAL A 152 -0.417 -27.286 -17.792 1.00 62.14 N ATOM 2453 CA VAL A 152 -1.878 -27.258 -17.939 1.00 54.23 C ATOM 2454 C VAL A 152 -2.293 -26.686 -19.303 1.00 64.21 C ATOM 2455 O VAL A 152 -2.853 -27.398 -20.140 1.00 14.00 O ATOM 2456 CB VAL A 152 -2.540 -26.440 -16.799 1.00 53.24 C ATOM 2457 CG1 VAL A 152 -4.025 -26.184 -17.076 1.00 75.54 C ATOM 2458 CG2 VAL A 152 -2.354 -27.157 -15.462 1.00 51.34 C ATOM 0 H VAL A 152 -0.057 -26.673 -17.061 1.00 62.14 H new ATOM 0 HA VAL A 152 -2.227 -28.289 -17.877 1.00 54.23 H new ATOM 0 HB VAL A 152 -2.047 -25.469 -16.751 1.00 53.24 H new ATOM 0 HG11 VAL A 152 -4.454 -25.609 -16.256 1.00 75.54 H new ATOM 0 HG12 VAL A 152 -4.131 -25.625 -18.006 1.00 75.54 H new ATOM 0 HG13 VAL A 152 -4.548 -27.136 -17.164 1.00 75.54 H new ATOM 0 HG21 VAL A 152 -2.822 -26.575 -14.669 1.00 51.34 H new ATOM 0 HG22 VAL A 152 -2.817 -28.143 -15.510 1.00 51.34 H new ATOM 0 HG23 VAL A 152 -1.290 -27.266 -15.252 1.00 51.34 H new