USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 103 SER OG : rot -99:sc= 0.961 USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.8 K(o=0.16,f=-2.5!) USER MOD Set 2.1: A 64 SER OG : rot -110:sc= -0.123 USER MOD Set 2.2: A 87 MET CE :methyl 157:sc= -2.38! (180deg=-4.18!) USER MOD Set 2.3: A 94 CYS SG : rot 32:sc= -0.164 USER MOD Set 3.1: A 71 MET CE :methyl -144:sc= -3.97! (180deg=-4.03) USER MOD Set 3.2: A 74 THR OG1 : rot 58:sc= 0.354 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 43:sc= 0.175 USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.0747 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 145:sc= -1.06 (180deg=-2.02) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 94:sc= 1.69 USER MOD Single : A 53 SER OG : rot 85:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0849 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -51:sc= 0.597 USER MOD Single : A 68 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-6.5!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.01 X(o=-1,f=-1.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 6:sc= -0.359 USER MOD Single : A 108 SER OG : rot 80:sc= 0.785 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 20 6.759 -3.991 18.395 1.00 10.18 N ATOM 2 CA GLY A 20 6.891 -4.786 17.148 1.00 9.43 C ATOM 3 C GLY A 20 5.591 -4.876 16.379 1.00 8.28 C ATOM 4 O GLY A 20 4.754 -5.736 16.657 1.00 7.90 O ATOM 0 HA2 GLY A 20 7.655 -4.336 16.513 1.00 9.43 H new ATOM 0 HA3 GLY A 20 7.233 -5.791 17.396 1.00 9.43 H new ATOM 10 N THR A 21 5.422 -3.985 15.413 1.00 7.85 N ATOM 11 CA THR A 21 4.227 -3.959 14.585 1.00 6.80 C ATOM 12 C THR A 21 4.140 -5.216 13.725 1.00 6.02 C ATOM 13 O THR A 21 5.097 -5.562 13.024 1.00 6.28 O ATOM 14 CB THR A 21 4.226 -2.722 13.663 1.00 6.86 C ATOM 15 OG1 THR A 21 4.480 -1.537 14.432 1.00 7.76 O ATOM 16 CG2 THR A 21 2.894 -2.583 12.938 1.00 7.10 C ATOM 0 H THR A 21 6.106 -3.264 15.183 1.00 7.85 H new ATOM 0 HA THR A 21 3.366 -3.914 15.252 1.00 6.80 H new ATOM 0 HB THR A 21 5.013 -2.852 12.921 1.00 6.86 H new ATOM 0 HG1 THR A 21 4.480 -0.756 13.840 1.00 7.76 H new ATOM 0 HG21 THR A 21 2.920 -1.703 12.295 1.00 7.10 H new ATOM 0 HG22 THR A 21 2.715 -3.471 12.331 1.00 7.10 H new ATOM 0 HG23 THR A 21 2.092 -2.475 13.668 1.00 7.10 H new ATOM 24 N PRO A 22 3.001 -5.931 13.792 1.00 5.40 N ATOM 25 CA PRO A 22 2.740 -7.085 12.931 1.00 4.94 C ATOM 26 C PRO A 22 2.985 -6.744 11.465 1.00 4.22 C ATOM 27 O PRO A 22 2.582 -5.676 11.001 1.00 3.77 O ATOM 28 CB PRO A 22 1.259 -7.383 13.175 1.00 4.80 C ATOM 29 CG PRO A 22 0.998 -6.875 14.549 1.00 5.20 C ATOM 30 CD PRO A 22 1.884 -5.671 14.722 1.00 5.57 C ATOM 0 HA PRO A 22 3.391 -7.931 13.152 1.00 4.94 H new ATOM 0 HB2 PRO A 22 0.627 -6.883 12.440 1.00 4.80 H new ATOM 0 HB3 PRO A 22 1.051 -8.450 13.100 1.00 4.80 H new ATOM 0 HG2 PRO A 22 -0.051 -6.608 14.673 1.00 5.20 H new ATOM 0 HG3 PRO A 22 1.224 -7.636 15.296 1.00 5.20 H new ATOM 0 HD2 PRO A 22 1.361 -4.748 14.473 1.00 5.57 H new ATOM 0 HD3 PRO A 22 2.232 -5.573 15.750 1.00 5.57 H new ATOM 38 N PRO A 23 3.662 -7.646 10.731 1.00 4.46 N ATOM 39 CA PRO A 23 4.095 -7.411 9.345 1.00 4.09 C ATOM 40 C PRO A 23 2.966 -6.977 8.411 1.00 2.90 C ATOM 41 O PRO A 23 2.333 -7.802 7.750 1.00 3.02 O ATOM 42 CB PRO A 23 4.664 -8.768 8.901 1.00 5.06 C ATOM 43 CG PRO A 23 4.185 -9.749 9.918 1.00 5.96 C ATOM 44 CD PRO A 23 4.058 -8.981 11.197 1.00 5.49 C ATOM 0 HA PRO A 23 4.812 -6.591 9.299 1.00 4.09 H new ATOM 0 HB2 PRO A 23 4.314 -9.034 7.903 1.00 5.06 H new ATOM 0 HB3 PRO A 23 5.753 -8.743 8.861 1.00 5.06 H new ATOM 0 HG2 PRO A 23 3.228 -10.181 9.625 1.00 5.96 H new ATOM 0 HG3 PRO A 23 4.888 -10.575 10.026 1.00 5.96 H new ATOM 0 HD2 PRO A 23 3.310 -9.417 11.859 1.00 5.49 H new ATOM 0 HD3 PRO A 23 4.997 -8.955 11.749 1.00 5.49 H new ATOM 52 N SER A 24 2.734 -5.671 8.361 1.00 2.34 N ATOM 53 CA SER A 24 1.754 -5.090 7.455 1.00 1.74 C ATOM 54 C SER A 24 2.374 -4.929 6.072 1.00 1.44 C ATOM 55 O SER A 24 1.707 -4.569 5.103 1.00 2.02 O ATOM 56 CB SER A 24 1.292 -3.735 8.002 1.00 2.46 C ATOM 57 OG SER A 24 0.863 -3.851 9.349 1.00 2.89 O ATOM 0 H SER A 24 3.218 -4.989 8.945 1.00 2.34 H new ATOM 0 HA SER A 24 0.888 -5.747 7.375 1.00 1.74 H new ATOM 0 HB2 SER A 24 2.108 -3.015 7.937 1.00 2.46 H new ATOM 0 HB3 SER A 24 0.477 -3.350 7.389 1.00 2.46 H new ATOM 0 HG SER A 24 1.489 -4.420 9.844 1.00 2.89 H new ATOM 63 N THR A 25 3.664 -5.214 6.001 1.00 1.09 N ATOM 64 CA THR A 25 4.420 -5.124 4.771 1.00 0.85 C ATOM 65 C THR A 25 5.286 -6.364 4.601 1.00 1.01 C ATOM 66 O THR A 25 5.829 -6.889 5.576 1.00 1.99 O ATOM 67 CB THR A 25 5.305 -3.858 4.744 1.00 0.70 C ATOM 68 OG1 THR A 25 6.529 -4.110 4.046 1.00 0.83 O ATOM 69 CG2 THR A 25 5.614 -3.354 6.145 1.00 0.96 C ATOM 0 H THR A 25 4.216 -5.516 6.803 1.00 1.09 H new ATOM 0 HA THR A 25 3.711 -5.058 3.946 1.00 0.85 H new ATOM 0 HB THR A 25 4.741 -3.086 4.220 1.00 0.70 H new ATOM 0 HG1 THR A 25 7.285 -3.806 4.591 1.00 0.83 H new ATOM 0 HG21 THR A 25 6.238 -2.463 6.082 1.00 0.96 H new ATOM 0 HG22 THR A 25 4.683 -3.109 6.657 1.00 0.96 H new ATOM 0 HG23 THR A 25 6.142 -4.128 6.702 1.00 0.96 H new ATOM 77 N ARG A 26 5.392 -6.842 3.369 1.00 0.78 N ATOM 78 CA ARG A 26 6.203 -8.016 3.071 1.00 0.81 C ATOM 79 C ARG A 26 7.304 -7.648 2.075 1.00 0.79 C ATOM 80 O ARG A 26 8.369 -8.262 2.051 1.00 0.95 O ATOM 81 CB ARG A 26 5.308 -9.141 2.522 1.00 1.04 C ATOM 82 CG ARG A 26 5.922 -10.539 2.591 1.00 1.15 C ATOM 83 CD ARG A 26 6.911 -10.797 1.463 1.00 1.19 C ATOM 84 NE ARG A 26 7.516 -12.126 1.554 1.00 1.65 N ATOM 85 CZ ARG A 26 8.285 -12.664 0.608 1.00 1.90 C ATOM 86 NH1 ARG A 26 8.590 -11.970 -0.483 1.00 2.06 N ATOM 87 NH2 ARG A 26 8.766 -13.894 0.761 1.00 2.51 N ATOM 0 H ARG A 26 4.926 -6.435 2.558 1.00 0.78 H new ATOM 0 HA ARG A 26 6.678 -8.374 3.984 1.00 0.81 H new ATOM 0 HB2 ARG A 26 4.370 -9.144 3.077 1.00 1.04 H new ATOM 0 HB3 ARG A 26 5.063 -8.918 1.484 1.00 1.04 H new ATOM 0 HG2 ARG A 26 6.427 -10.664 3.549 1.00 1.15 H new ATOM 0 HG3 ARG A 26 5.127 -11.284 2.551 1.00 1.15 H new ATOM 0 HD2 ARG A 26 6.401 -10.696 0.505 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.695 -10.040 1.489 1.00 1.19 H new ATOM 0 HE ARG A 26 7.338 -12.675 2.395 1.00 1.65 H new ATOM 0 HH11 ARG A 26 8.235 -11.021 -0.599 1.00 2.06 H new ATOM 0 HH12 ARG A 26 9.179 -12.386 -1.204 1.00 2.06 H new ATOM 0 HH21 ARG A 26 8.546 -14.426 1.603 1.00 2.51 H new ATOM 0 HH22 ARG A 26 9.355 -14.305 0.036 1.00 2.51 H new ATOM 101 N PHE A 27 7.046 -6.625 1.273 1.00 0.72 N ATOM 102 CA PHE A 27 7.986 -6.189 0.253 1.00 0.77 C ATOM 103 C PHE A 27 8.423 -4.750 0.517 1.00 0.71 C ATOM 104 O PHE A 27 7.675 -3.810 0.250 1.00 0.72 O ATOM 105 CB PHE A 27 7.344 -6.319 -1.134 1.00 0.88 C ATOM 106 CG PHE A 27 8.163 -5.732 -2.249 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.398 -6.266 -2.573 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.693 -4.647 -2.973 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.153 -5.727 -3.596 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.440 -4.103 -3.997 1.00 1.35 C ATOM 111 CZ PHE A 27 9.673 -4.643 -4.309 1.00 1.51 C ATOM 0 H PHE A 27 6.186 -6.078 1.311 1.00 0.72 H new ATOM 0 HA PHE A 27 8.872 -6.823 0.287 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.169 -7.374 -1.344 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.369 -5.831 -1.118 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.775 -7.113 -2.020 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.730 -4.222 -2.732 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.116 -6.151 -3.839 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.062 -3.258 -4.553 1.00 1.35 H new ATOM 0 HZ PHE A 27 10.262 -4.219 -5.109 1.00 1.51 H new ATOM 121 N PRO A 28 9.640 -4.565 1.047 1.00 0.72 N ATOM 122 CA PRO A 28 10.166 -3.248 1.416 1.00 0.81 C ATOM 123 C PRO A 28 10.643 -2.436 0.212 1.00 1.01 C ATOM 124 O PRO A 28 11.755 -1.908 0.203 1.00 2.02 O ATOM 125 CB PRO A 28 11.349 -3.572 2.343 1.00 0.91 C ATOM 126 CG PRO A 28 11.334 -5.056 2.530 1.00 1.03 C ATOM 127 CD PRO A 28 10.609 -5.621 1.344 1.00 0.76 C ATOM 0 HA PRO A 28 9.396 -2.632 1.881 1.00 0.81 H new ATOM 0 HB2 PRO A 28 12.291 -3.244 1.903 1.00 0.91 H new ATOM 0 HB3 PRO A 28 11.248 -3.058 3.299 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.348 -5.451 2.590 1.00 1.03 H new ATOM 0 HG3 PRO A 28 10.831 -5.326 3.458 1.00 1.03 H new ATOM 0 HD2 PRO A 28 11.281 -5.806 0.506 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.122 -6.568 1.577 1.00 0.76 H new ATOM 135 N GLY A 29 9.799 -2.342 -0.801 1.00 0.67 N ATOM 136 CA GLY A 29 10.111 -1.527 -1.954 1.00 0.68 C ATOM 137 C GLY A 29 9.175 -0.342 -2.052 1.00 0.65 C ATOM 138 O GLY A 29 9.462 0.734 -1.526 1.00 0.86 O ATOM 0 H GLY A 29 8.898 -2.818 -0.845 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.141 -1.176 -1.888 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.037 -2.129 -2.860 1.00 0.68 H new ATOM 142 N VAL A 30 8.038 -0.561 -2.690 1.00 0.69 N ATOM 143 CA VAL A 30 7.026 0.479 -2.810 1.00 0.68 C ATOM 144 C VAL A 30 6.357 0.694 -1.459 1.00 0.70 C ATOM 145 O VAL A 30 6.032 -0.262 -0.755 1.00 0.75 O ATOM 146 CB VAL A 30 5.976 0.158 -3.905 1.00 0.70 C ATOM 147 CG1 VAL A 30 5.326 -1.201 -3.691 1.00 1.01 C ATOM 148 CG2 VAL A 30 4.917 1.246 -3.982 1.00 1.15 C ATOM 0 H VAL A 30 7.791 -1.446 -3.132 1.00 0.69 H new ATOM 0 HA VAL A 30 7.523 1.398 -3.120 1.00 0.68 H new ATOM 0 HB VAL A 30 6.509 0.123 -4.855 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.598 -1.384 -4.481 1.00 1.01 H new ATOM 0 HG12 VAL A 30 6.090 -1.978 -3.715 1.00 1.01 H new ATOM 0 HG13 VAL A 30 4.824 -1.216 -2.724 1.00 1.01 H new ATOM 0 HG21 VAL A 30 4.194 0.995 -4.758 1.00 1.15 H new ATOM 0 HG22 VAL A 30 4.407 1.326 -3.022 1.00 1.15 H new ATOM 0 HG23 VAL A 30 5.390 2.198 -4.221 1.00 1.15 H new ATOM 158 N ALA A 31 6.173 1.950 -1.092 1.00 0.71 N ATOM 159 CA ALA A 31 5.658 2.300 0.215 1.00 0.73 C ATOM 160 C ALA A 31 4.297 2.939 0.062 1.00 0.65 C ATOM 161 O ALA A 31 4.127 3.854 -0.743 1.00 0.76 O ATOM 162 CB ALA A 31 6.617 3.243 0.918 1.00 0.84 C ATOM 0 H ALA A 31 6.376 2.751 -1.690 1.00 0.71 H new ATOM 0 HA ALA A 31 5.560 1.400 0.822 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.220 3.500 1.900 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.586 2.757 1.034 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.735 4.150 0.326 1.00 0.84 H new ATOM 168 N ILE A 32 3.338 2.458 0.827 1.00 0.57 N ATOM 169 CA ILE A 32 1.955 2.851 0.657 1.00 0.48 C ATOM 170 C ILE A 32 1.401 3.426 1.943 1.00 0.44 C ATOM 171 O ILE A 32 1.323 2.726 2.941 1.00 0.54 O ATOM 172 CB ILE A 32 1.106 1.633 0.284 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.793 0.818 -0.812 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.265 2.081 -0.163 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.102 -0.486 -1.124 1.00 0.67 C ATOM 0 H ILE A 32 3.494 1.788 1.580 1.00 0.57 H new ATOM 0 HA ILE A 32 1.917 3.601 -0.133 1.00 0.48 H new ATOM 0 HB ILE A 32 0.997 0.995 1.161 1.00 0.49 H new ATOM 0 HG12 ILE A 32 1.844 1.418 -1.720 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.819 0.611 -0.509 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.864 1.210 -0.427 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.752 2.625 0.647 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.170 2.733 -1.032 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.647 -1.008 -1.911 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.075 -1.107 -0.228 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.084 -0.287 -1.459 1.00 0.67 H new ATOM 187 N TYR A 33 0.973 4.668 1.923 1.00 0.38 N ATOM 188 CA TYR A 33 0.434 5.286 3.110 1.00 0.38 C ATOM 189 C TYR A 33 -1.056 5.446 2.925 1.00 0.34 C ATOM 190 O TYR A 33 -1.506 5.997 1.919 1.00 0.41 O ATOM 191 CB TYR A 33 1.083 6.650 3.369 1.00 0.54 C ATOM 192 CG TYR A 33 0.687 7.270 4.693 1.00 0.58 C ATOM 193 CD1 TYR A 33 -0.469 8.034 4.815 1.00 0.56 C ATOM 194 CD2 TYR A 33 1.472 7.089 5.823 1.00 1.01 C ATOM 195 CE1 TYR A 33 -0.824 8.600 6.025 1.00 0.64 C ATOM 196 CE2 TYR A 33 1.122 7.648 7.034 1.00 1.18 C ATOM 197 CZ TYR A 33 -0.026 8.402 7.132 1.00 0.90 C ATOM 198 OH TYR A 33 -0.362 8.977 8.337 1.00 1.11 O ATOM 0 H TYR A 33 0.988 5.268 1.098 1.00 0.38 H new ATOM 0 HA TYR A 33 0.645 4.655 3.973 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.167 6.538 3.340 1.00 0.54 H new ATOM 0 HB3 TYR A 33 0.811 7.331 2.563 1.00 0.54 H new ATOM 0 HD1 TYR A 33 -1.099 8.187 3.951 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.374 6.499 5.753 1.00 1.01 H new ATOM 0 HE1 TYR A 33 -1.722 9.195 6.103 1.00 0.64 H new ATOM 0 HE2 TYR A 33 1.746 7.495 7.902 1.00 1.18 H new ATOM 0 HH TYR A 33 0.306 8.736 9.012 1.00 1.11 H new ATOM 208 N LEU A 34 -1.820 4.981 3.887 1.00 0.33 N ATOM 209 CA LEU A 34 -3.260 5.027 3.779 1.00 0.36 C ATOM 210 C LEU A 34 -3.808 6.033 4.763 1.00 0.31 C ATOM 211 O LEU A 34 -3.420 6.051 5.932 1.00 0.35 O ATOM 212 CB LEU A 34 -3.871 3.664 4.062 1.00 0.45 C ATOM 213 CG LEU A 34 -3.288 2.516 3.243 1.00 0.64 C ATOM 214 CD1 LEU A 34 -3.278 1.236 4.054 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.086 2.324 1.964 1.00 1.06 C ATOM 0 H LEU A 34 -1.469 4.568 4.751 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.519 5.319 2.761 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.743 3.437 5.120 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.943 3.717 3.875 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.260 2.766 2.980 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.859 0.428 3.454 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -2.671 1.377 4.948 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -4.297 0.981 4.344 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -3.660 1.502 1.389 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -5.122 2.094 2.213 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -4.050 3.238 1.372 1.00 1.06 H new ATOM 227 N VAL A 35 -4.695 6.868 4.288 1.00 0.31 N ATOM 228 CA VAL A 35 -5.348 7.834 5.139 1.00 0.34 C ATOM 229 C VAL A 35 -6.450 7.170 5.953 1.00 0.46 C ATOM 230 O VAL A 35 -7.610 7.182 5.572 1.00 0.72 O ATOM 231 CB VAL A 35 -5.931 8.997 4.321 1.00 0.42 C ATOM 232 CG1 VAL A 35 -4.822 9.926 3.853 1.00 0.90 C ATOM 233 CG2 VAL A 35 -6.726 8.484 3.128 1.00 1.39 C ATOM 0 H VAL A 35 -4.985 6.900 3.310 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.596 8.237 5.817 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.609 9.555 4.967 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -5.252 10.744 3.275 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -4.296 10.330 4.718 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.121 9.371 3.230 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -7.127 9.329 2.567 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -6.074 7.896 2.482 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -7.547 7.859 3.479 1.00 1.39 H new ATOM 243 N GLU A 36 -6.074 6.581 7.078 1.00 0.59 N ATOM 244 CA GLU A 36 -7.032 5.890 7.941 1.00 0.77 C ATOM 245 C GLU A 36 -8.214 6.787 8.348 1.00 0.71 C ATOM 246 O GLU A 36 -9.355 6.327 8.338 1.00 0.79 O ATOM 247 CB GLU A 36 -6.339 5.319 9.175 1.00 1.03 C ATOM 248 CG GLU A 36 -5.221 4.351 8.834 1.00 1.76 C ATOM 249 CD GLU A 36 -4.790 3.518 10.019 1.00 1.96 C ATOM 250 OE1 GLU A 36 -4.556 4.096 11.102 1.00 2.34 O ATOM 251 OE2 GLU A 36 -4.684 2.283 9.872 1.00 2.24 O ATOM 0 H GLU A 36 -5.113 6.565 7.419 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.444 5.067 7.357 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -5.934 6.138 9.769 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -7.076 4.810 9.796 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -5.550 3.691 8.031 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.364 4.910 8.457 1.00 1.76 H new ATOM 258 N PRO A 37 -7.986 8.075 8.713 1.00 0.70 N ATOM 259 CA PRO A 37 -9.087 9.022 8.980 1.00 0.83 C ATOM 260 C PRO A 37 -9.876 9.406 7.719 1.00 0.90 C ATOM 261 O PRO A 37 -10.707 10.313 7.746 1.00 1.46 O ATOM 262 CB PRO A 37 -8.374 10.250 9.548 1.00 0.91 C ATOM 263 CG PRO A 37 -6.988 10.163 9.013 1.00 0.91 C ATOM 264 CD PRO A 37 -6.669 8.701 8.956 1.00 0.73 C ATOM 0 HA PRO A 37 -9.828 8.585 9.649 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.863 11.172 9.234 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.379 10.242 10.638 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.920 10.618 8.025 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.286 10.693 9.657 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -5.962 8.474 8.158 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.222 8.350 9.886 1.00 0.73 H new ATOM 272 N ARG A 38 -9.605 8.718 6.620 1.00 0.89 N ATOM 273 CA ARG A 38 -10.295 8.962 5.363 1.00 0.93 C ATOM 274 C ARG A 38 -10.370 7.653 4.575 1.00 0.92 C ATOM 275 O ARG A 38 -10.263 7.634 3.348 1.00 1.42 O ATOM 276 CB ARG A 38 -9.546 10.033 4.559 1.00 0.99 C ATOM 277 CG ARG A 38 -10.419 10.824 3.599 1.00 1.31 C ATOM 278 CD ARG A 38 -11.482 11.610 4.345 1.00 1.06 C ATOM 279 NE ARG A 38 -12.162 12.580 3.490 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.470 12.813 3.529 1.00 1.91 C ATOM 281 NH1 ARG A 38 -14.255 12.072 4.301 1.00 2.37 N ATOM 282 NH2 ARG A 38 -13.993 13.774 2.780 1.00 2.60 N ATOM 0 H ARG A 38 -8.904 7.978 6.574 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.305 9.322 5.556 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.072 10.726 5.254 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -8.748 9.553 3.993 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.799 11.507 3.018 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -10.895 10.145 2.892 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -12.216 10.919 4.761 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -11.022 12.130 5.185 1.00 1.06 H new ATOM 0 HE ARG A 38 -11.600 13.110 2.824 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -13.855 11.323 4.865 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -15.259 12.252 4.330 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.392 14.333 2.175 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -14.997 13.954 2.809 1.00 2.60 H new ATOM 296 N MET A 39 -10.549 6.561 5.311 1.00 0.73 N ATOM 297 CA MET A 39 -10.520 5.222 4.752 1.00 0.74 C ATOM 298 C MET A 39 -11.332 4.293 5.640 1.00 0.74 C ATOM 299 O MET A 39 -11.228 4.357 6.866 1.00 1.05 O ATOM 300 CB MET A 39 -9.077 4.714 4.675 1.00 0.80 C ATOM 301 CG MET A 39 -8.922 3.354 4.013 1.00 1.19 C ATOM 302 SD MET A 39 -9.118 3.422 2.222 1.00 1.27 S ATOM 303 CE MET A 39 -7.763 4.508 1.778 1.00 0.61 C ATOM 0 H MET A 39 -10.719 6.584 6.316 1.00 0.73 H new ATOM 0 HA MET A 39 -10.944 5.244 3.748 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.478 5.441 4.127 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.669 4.661 5.685 1.00 0.80 H new ATOM 0 HG2 MET A 39 -7.938 2.949 4.251 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.659 2.667 4.429 1.00 1.19 H new ATOM 0 HE1 MET A 39 -7.347 4.197 0.820 1.00 0.61 H new ATOM 0 HE2 MET A 39 -8.128 5.532 1.700 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.989 4.456 2.544 1.00 0.61 H new ATOM 313 N GLY A 40 -12.143 3.454 5.030 1.00 1.32 N ATOM 314 CA GLY A 40 -12.944 2.512 5.789 1.00 1.52 C ATOM 315 C GLY A 40 -12.181 1.250 6.139 1.00 1.39 C ATOM 316 O GLY A 40 -11.338 0.791 5.366 1.00 1.36 O ATOM 0 H GLY A 40 -12.266 3.403 4.019 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.289 2.990 6.706 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -13.831 2.248 5.213 1.00 1.52 H new ATOM 320 N ARG A 41 -12.436 0.728 7.337 1.00 1.34 N ATOM 321 CA ARG A 41 -11.844 -0.542 7.765 1.00 1.26 C ATOM 322 C ARG A 41 -12.014 -1.633 6.712 1.00 1.15 C ATOM 323 O ARG A 41 -11.083 -2.386 6.467 1.00 1.03 O ATOM 324 CB ARG A 41 -12.417 -1.040 9.090 1.00 1.42 C ATOM 325 CG ARG A 41 -11.695 -2.283 9.589 1.00 1.79 C ATOM 326 CD ARG A 41 -12.320 -2.861 10.843 1.00 1.72 C ATOM 327 NE ARG A 41 -11.576 -4.023 11.327 1.00 2.20 N ATOM 328 CZ ARG A 41 -11.883 -4.712 12.422 1.00 2.49 C ATOM 329 NH1 ARG A 41 -12.919 -4.359 13.175 1.00 2.51 N ATOM 330 NH2 ARG A 41 -11.147 -5.755 12.775 1.00 3.20 N ATOM 0 H ARG A 41 -13.047 1.162 8.029 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.783 -0.334 7.902 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -12.341 -0.251 9.838 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -13.477 -1.261 8.967 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -11.699 -3.040 8.804 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -10.652 -2.036 9.789 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -12.350 -2.098 11.621 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -13.351 -3.148 10.638 1.00 1.72 H new ATOM 0 HE ARG A 41 -10.765 -4.326 10.787 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -13.487 -3.553 12.915 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.146 -4.894 14.013 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -10.345 -6.029 12.207 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -11.382 -6.284 13.615 1.00 3.20 H new ATOM 344 N SER A 42 -13.185 -1.722 6.092 1.00 1.23 N ATOM 345 CA SER A 42 -13.415 -2.740 5.071 1.00 1.19 C ATOM 346 C SER A 42 -12.414 -2.593 3.923 1.00 1.02 C ATOM 347 O SER A 42 -11.894 -3.587 3.412 1.00 0.94 O ATOM 348 CB SER A 42 -14.856 -2.670 4.562 1.00 1.38 C ATOM 349 OG SER A 42 -15.201 -1.351 4.172 1.00 2.00 O ATOM 0 H SER A 42 -13.981 -1.111 6.274 1.00 1.23 H new ATOM 0 HA SER A 42 -13.263 -3.722 5.520 1.00 1.19 H new ATOM 0 HB2 SER A 42 -14.978 -3.346 3.715 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.537 -3.011 5.342 1.00 1.38 H new ATOM 0 HG SER A 42 -16.126 -1.337 3.850 1.00 2.00 H new ATOM 355 N ARG A 43 -12.137 -1.347 3.542 1.00 1.01 N ATOM 356 CA ARG A 43 -11.091 -1.041 2.573 1.00 0.91 C ATOM 357 C ARG A 43 -9.735 -1.484 3.111 1.00 0.74 C ATOM 358 O ARG A 43 -9.044 -2.300 2.501 1.00 0.60 O ATOM 359 CB ARG A 43 -11.054 0.464 2.300 1.00 1.08 C ATOM 360 CG ARG A 43 -11.581 0.882 0.937 1.00 1.13 C ATOM 361 CD ARG A 43 -10.654 0.444 -0.185 1.00 1.08 C ATOM 362 NE ARG A 43 -10.881 1.215 -1.407 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.315 0.698 -2.552 1.00 1.74 C ATOM 364 NH1 ARG A 43 -11.598 -0.596 -2.640 1.00 2.48 N ATOM 365 NH2 ARG A 43 -11.489 1.486 -3.604 1.00 2.23 N ATOM 0 H ARG A 43 -12.629 -0.527 3.895 1.00 1.01 H new ATOM 0 HA ARG A 43 -11.308 -1.574 1.647 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -11.636 0.972 3.069 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -10.025 0.811 2.397 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -12.570 0.450 0.781 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -11.699 1.965 0.909 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -9.618 0.562 0.132 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.806 -0.616 -0.390 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.694 2.217 -1.379 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -11.483 -1.200 -1.826 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -11.931 -0.986 -3.522 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -11.290 2.484 -3.532 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -11.822 1.094 -4.485 1.00 2.23 H new ATOM 379 N ARG A 44 -9.379 -0.940 4.272 1.00 0.81 N ATOM 380 CA ARG A 44 -8.092 -1.208 4.910 1.00 0.77 C ATOM 381 C ARG A 44 -7.853 -2.703 5.080 1.00 0.68 C ATOM 382 O ARG A 44 -6.789 -3.208 4.744 1.00 0.62 O ATOM 383 CB ARG A 44 -8.036 -0.530 6.277 1.00 0.95 C ATOM 384 CG ARG A 44 -6.742 -0.771 7.036 1.00 0.98 C ATOM 385 CD ARG A 44 -5.632 0.170 6.590 1.00 1.46 C ATOM 386 NE ARG A 44 -4.737 0.515 7.700 1.00 1.62 N ATOM 387 CZ ARG A 44 -3.546 -0.046 7.923 1.00 2.09 C ATOM 388 NH1 ARG A 44 -3.103 -1.033 7.150 1.00 2.72 N ATOM 389 NH2 ARG A 44 -2.807 0.373 8.946 1.00 2.57 N ATOM 0 H ARG A 44 -9.975 -0.300 4.798 1.00 0.81 H new ATOM 0 HA ARG A 44 -7.312 -0.806 4.263 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -8.172 0.543 6.144 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -8.871 -0.885 6.881 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.919 -0.641 8.104 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.423 -1.803 6.889 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -5.057 -0.298 5.791 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -6.069 1.080 6.178 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.048 1.237 8.350 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -3.675 -1.370 6.376 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -2.191 -1.453 7.331 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -3.151 1.117 9.553 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -1.896 -0.050 9.124 1.00 2.57 H new ATOM 403 N ALA A 45 -8.853 -3.392 5.596 1.00 0.82 N ATOM 404 CA ALA A 45 -8.734 -4.811 5.889 1.00 0.77 C ATOM 405 C ALA A 45 -8.488 -5.612 4.618 1.00 0.61 C ATOM 406 O ALA A 45 -7.571 -6.435 4.556 1.00 0.58 O ATOM 407 CB ALA A 45 -9.976 -5.315 6.602 1.00 0.91 C ATOM 0 H ALA A 45 -9.763 -2.991 5.823 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.876 -4.948 6.547 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.868 -6.379 6.813 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -10.104 -4.771 7.538 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.849 -5.157 5.968 1.00 0.91 H new ATOM 413 N PHE A 46 -9.307 -5.361 3.604 1.00 0.63 N ATOM 414 CA PHE A 46 -9.200 -6.066 2.335 1.00 0.57 C ATOM 415 C PHE A 46 -7.861 -5.782 1.641 1.00 0.44 C ATOM 416 O PHE A 46 -7.231 -6.695 1.106 1.00 0.44 O ATOM 417 CB PHE A 46 -10.407 -5.707 1.444 1.00 0.69 C ATOM 418 CG PHE A 46 -10.071 -5.161 0.081 1.00 0.64 C ATOM 419 CD1 PHE A 46 -9.902 -6.010 -1.002 1.00 0.74 C ATOM 420 CD2 PHE A 46 -9.935 -3.796 -0.120 1.00 0.57 C ATOM 421 CE1 PHE A 46 -9.602 -5.506 -2.254 1.00 0.78 C ATOM 422 CE2 PHE A 46 -9.635 -3.289 -1.366 1.00 0.61 C ATOM 423 CZ PHE A 46 -9.466 -4.145 -2.435 1.00 0.71 C ATOM 0 H PHE A 46 -10.057 -4.670 3.638 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.220 -7.139 2.523 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.020 -6.599 1.317 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.018 -4.973 1.969 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.006 -7.076 -0.866 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -10.066 -3.120 0.712 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -9.474 -6.178 -3.090 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -9.532 -2.223 -1.506 1.00 0.61 H new ATOM 0 HZ PHE A 46 -9.228 -3.750 -3.412 1.00 0.71 H new ATOM 433 N LEU A 47 -7.409 -4.531 1.677 1.00 0.39 N ATOM 434 CA LEU A 47 -6.171 -4.161 1.010 1.00 0.35 C ATOM 435 C LEU A 47 -4.965 -4.667 1.793 1.00 0.38 C ATOM 436 O LEU A 47 -4.067 -5.269 1.218 1.00 0.47 O ATOM 437 CB LEU A 47 -6.099 -2.638 0.798 1.00 0.36 C ATOM 438 CG LEU A 47 -5.821 -1.790 2.038 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.326 -1.566 2.224 1.00 0.44 C ATOM 440 CD2 LEU A 47 -6.548 -0.458 1.945 1.00 0.42 C ATOM 0 H LEU A 47 -7.880 -3.764 2.158 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.155 -4.635 0.029 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.321 -2.432 0.063 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.043 -2.309 0.364 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.193 -2.332 2.907 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.157 -0.960 3.114 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -3.826 -2.527 2.340 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -3.924 -1.050 1.352 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.339 0.134 2.836 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.206 0.082 1.062 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -7.621 -0.634 1.869 1.00 0.42 H new ATOM 452 N THR A 48 -4.955 -4.436 3.105 1.00 0.40 N ATOM 453 CA THR A 48 -3.846 -4.859 3.947 1.00 0.48 C ATOM 454 C THR A 48 -3.658 -6.364 3.852 1.00 0.48 C ATOM 455 O THR A 48 -2.535 -6.852 3.781 1.00 0.57 O ATOM 456 CB THR A 48 -4.066 -4.451 5.418 1.00 0.59 C ATOM 457 OG1 THR A 48 -4.311 -3.039 5.498 1.00 0.64 O ATOM 458 CG2 THR A 48 -2.861 -4.807 6.276 1.00 0.69 C ATOM 0 H THR A 48 -5.705 -3.958 3.605 1.00 0.40 H new ATOM 0 HA THR A 48 -2.947 -4.358 3.587 1.00 0.48 H new ATOM 0 HB THR A 48 -4.929 -4.999 5.795 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.277 -2.873 5.478 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.047 -4.507 7.307 1.00 0.69 H new ATOM 0 HG22 THR A 48 -2.691 -5.883 6.236 1.00 0.69 H new ATOM 0 HG23 THR A 48 -1.980 -4.287 5.900 1.00 0.69 H new ATOM 466 N GLY A 49 -4.771 -7.084 3.800 1.00 0.45 N ATOM 467 CA GLY A 49 -4.711 -8.521 3.667 1.00 0.50 C ATOM 468 C GLY A 49 -4.186 -8.931 2.306 1.00 0.42 C ATOM 469 O GLY A 49 -3.209 -9.682 2.202 1.00 0.42 O ATOM 0 H GLY A 49 -5.713 -6.696 3.848 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -4.069 -8.933 4.445 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.705 -8.943 3.817 1.00 0.50 H new ATOM 473 N LEU A 50 -4.812 -8.414 1.255 1.00 0.43 N ATOM 474 CA LEU A 50 -4.429 -8.790 -0.099 1.00 0.42 C ATOM 475 C LEU A 50 -3.021 -8.323 -0.434 1.00 0.41 C ATOM 476 O LEU A 50 -2.186 -9.124 -0.839 1.00 0.46 O ATOM 477 CB LEU A 50 -5.420 -8.254 -1.131 1.00 0.44 C ATOM 478 CG LEU A 50 -6.777 -8.955 -1.145 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.632 -8.417 -2.275 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.599 -10.459 -1.279 1.00 0.48 C ATOM 0 H LEU A 50 -5.577 -7.742 1.313 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.446 -9.879 -0.139 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.578 -7.192 -0.944 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -4.973 -8.340 -2.121 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.283 -8.754 -0.200 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.597 -8.924 -2.275 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.785 -7.347 -2.138 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.130 -8.593 -3.226 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.576 -10.942 -1.287 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.076 -10.682 -2.209 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.017 -10.833 -0.437 1.00 0.48 H new ATOM 492 N ALA A 51 -2.760 -7.038 -0.252 1.00 0.38 N ATOM 493 CA ALA A 51 -1.473 -6.449 -0.614 1.00 0.39 C ATOM 494 C ALA A 51 -0.289 -7.136 0.072 1.00 0.43 C ATOM 495 O ALA A 51 0.756 -7.332 -0.551 1.00 0.47 O ATOM 496 CB ALA A 51 -1.476 -4.963 -0.314 1.00 0.38 C ATOM 0 H ALA A 51 -3.425 -6.376 0.147 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.342 -6.603 -1.685 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.512 -4.535 -0.588 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.265 -4.477 -0.888 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.653 -4.807 0.750 1.00 0.38 H new ATOM 502 N ARG A 52 -0.447 -7.513 1.341 1.00 0.45 N ATOM 503 CA ARG A 52 0.635 -8.191 2.061 1.00 0.51 C ATOM 504 C ARG A 52 0.830 -9.604 1.512 1.00 0.60 C ATOM 505 O ARG A 52 1.901 -10.194 1.652 1.00 0.75 O ATOM 506 CB ARG A 52 0.365 -8.236 3.573 1.00 0.54 C ATOM 507 CG ARG A 52 -0.766 -9.174 3.978 1.00 1.12 C ATOM 508 CD ARG A 52 -1.087 -9.080 5.464 1.00 1.04 C ATOM 509 NE ARG A 52 0.046 -9.449 6.308 1.00 1.51 N ATOM 510 CZ ARG A 52 -0.051 -10.253 7.365 1.00 1.87 C ATOM 511 NH1 ARG A 52 -1.222 -10.791 7.688 1.00 1.75 N ATOM 512 NH2 ARG A 52 1.021 -10.516 8.103 1.00 2.79 N ATOM 0 H ARG A 52 -1.297 -7.365 1.885 1.00 0.45 H new ATOM 0 HA ARG A 52 1.550 -7.619 1.905 1.00 0.51 H new ATOM 0 HB2 ARG A 52 1.277 -8.543 4.085 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.129 -7.230 3.919 1.00 0.54 H new ATOM 0 HG2 ARG A 52 -1.658 -8.935 3.399 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.491 -10.200 3.732 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -1.396 -8.062 5.701 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -1.932 -9.730 5.691 1.00 1.04 H new ATOM 0 HE ARG A 52 0.964 -9.069 6.075 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -2.049 -10.588 7.126 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.294 -11.407 8.498 1.00 1.75 H new ATOM 0 HH21 ARG A 52 1.921 -10.102 7.861 1.00 2.79 H new ATOM 0 HH22 ARG A 52 0.944 -11.132 8.912 1.00 2.79 H new ATOM 526 N SER A 53 -0.207 -10.121 0.867 1.00 0.54 N ATOM 527 CA SER A 53 -0.145 -11.434 0.241 1.00 0.61 C ATOM 528 C SER A 53 0.434 -11.326 -1.174 1.00 0.61 C ATOM 529 O SER A 53 0.893 -12.313 -1.745 1.00 0.69 O ATOM 530 CB SER A 53 -1.539 -12.062 0.192 1.00 0.63 C ATOM 531 OG SER A 53 -2.153 -12.054 1.474 1.00 1.36 O ATOM 0 H SER A 53 -1.105 -9.648 0.764 1.00 0.54 H new ATOM 0 HA SER A 53 0.508 -12.071 0.837 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.162 -11.515 -0.516 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.466 -13.087 -0.173 1.00 0.63 H new ATOM 0 HG SER A 53 -2.591 -11.190 1.622 1.00 1.36 H new ATOM 537 N LYS A 54 0.405 -10.117 -1.736 1.00 0.57 N ATOM 538 CA LYS A 54 0.888 -9.898 -3.097 1.00 0.60 C ATOM 539 C LYS A 54 2.353 -9.471 -3.089 1.00 0.63 C ATOM 540 O LYS A 54 3.213 -10.141 -3.658 1.00 0.76 O ATOM 541 CB LYS A 54 0.067 -8.815 -3.814 1.00 0.56 C ATOM 542 CG LYS A 54 -1.441 -9.013 -3.771 1.00 0.54 C ATOM 543 CD LYS A 54 -1.872 -10.318 -4.415 1.00 0.60 C ATOM 544 CE LYS A 54 -3.384 -10.379 -4.572 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.842 -11.674 -5.139 1.00 0.83 N ATOM 0 H LYS A 54 0.054 -9.279 -1.272 1.00 0.57 H new ATOM 0 HA LYS A 54 0.780 -10.843 -3.630 1.00 0.60 H new ATOM 0 HB2 LYS A 54 0.304 -7.848 -3.370 1.00 0.56 H new ATOM 0 HB3 LYS A 54 0.383 -8.773 -4.856 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -1.778 -8.994 -2.734 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -1.929 -8.181 -4.280 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.398 -10.419 -5.391 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.532 -11.157 -3.807 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -3.854 -10.224 -3.601 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -3.713 -9.566 -5.219 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.878 -11.667 -5.227 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.416 -11.812 -6.078 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.553 -12.450 -4.510 1.00 0.83 H new ATOM 559 N GLY A 55 2.619 -8.341 -2.445 1.00 0.56 N ATOM 560 CA GLY A 55 3.961 -7.788 -2.449 1.00 0.61 C ATOM 561 C GLY A 55 3.978 -6.289 -2.241 1.00 0.54 C ATOM 562 O GLY A 55 4.461 -5.556 -3.100 1.00 0.57 O ATOM 0 H GLY A 55 1.932 -7.799 -1.921 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.548 -8.266 -1.665 1.00 0.61 H new ATOM 0 HA3 GLY A 55 4.444 -8.024 -3.397 1.00 0.61 H new ATOM 566 N PHE A 56 3.443 -5.819 -1.123 1.00 0.50 N ATOM 567 CA PHE A 56 3.352 -4.382 -0.888 1.00 0.47 C ATOM 568 C PHE A 56 3.733 -4.013 0.540 1.00 0.42 C ATOM 569 O PHE A 56 3.445 -4.748 1.487 1.00 0.65 O ATOM 570 CB PHE A 56 1.944 -3.873 -1.204 1.00 0.66 C ATOM 571 CG PHE A 56 1.601 -3.928 -2.666 1.00 0.56 C ATOM 572 CD1 PHE A 56 2.060 -2.950 -3.531 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.817 -4.949 -3.171 1.00 0.53 C ATOM 574 CE1 PHE A 56 1.747 -2.991 -4.874 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.500 -4.998 -4.514 1.00 0.48 C ATOM 576 CZ PHE A 56 0.964 -4.016 -5.366 1.00 0.47 C ATOM 0 H PHE A 56 3.070 -6.401 -0.373 1.00 0.50 H new ATOM 0 HA PHE A 56 4.065 -3.901 -1.557 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.218 -4.465 -0.646 1.00 0.66 H new ATOM 0 HB3 PHE A 56 1.851 -2.844 -0.856 1.00 0.66 H new ATOM 0 HD1 PHE A 56 2.671 -2.145 -3.150 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.448 -5.717 -2.507 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.114 -2.223 -5.539 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.110 -5.803 -4.897 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.715 -4.050 -6.416 1.00 0.47 H new ATOM 586 N ARG A 57 4.428 -2.890 0.672 1.00 0.46 N ATOM 587 CA ARG A 57 4.763 -2.331 1.969 1.00 0.68 C ATOM 588 C ARG A 57 3.784 -1.249 2.365 1.00 0.79 C ATOM 589 O ARG A 57 3.810 -0.143 1.821 1.00 1.17 O ATOM 590 CB ARG A 57 6.151 -1.716 1.942 1.00 0.93 C ATOM 591 CG ARG A 57 6.598 -1.117 3.269 1.00 0.72 C ATOM 592 CD ARG A 57 7.196 0.269 3.087 1.00 1.01 C ATOM 593 NE ARG A 57 8.291 0.291 2.110 1.00 1.72 N ATOM 594 CZ ARG A 57 9.466 0.886 2.328 1.00 2.00 C ATOM 595 NH1 ARG A 57 9.714 1.451 3.504 1.00 1.80 N ATOM 596 NH2 ARG A 57 10.388 0.911 1.374 1.00 3.00 N ATOM 0 H ARG A 57 4.773 -2.344 -0.118 1.00 0.46 H new ATOM 0 HA ARG A 57 4.723 -3.148 2.690 1.00 0.68 H new ATOM 0 HB2 ARG A 57 6.868 -2.480 1.642 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.176 -0.938 1.179 1.00 0.93 H new ATOM 0 HG2 ARG A 57 5.747 -1.060 3.948 1.00 0.72 H new ATOM 0 HG3 ARG A 57 7.334 -1.773 3.735 1.00 0.72 H new ATOM 0 HD2 ARG A 57 6.415 0.958 2.766 1.00 1.01 H new ATOM 0 HD3 ARG A 57 7.564 0.630 4.047 1.00 1.01 H new ATOM 0 HE ARG A 57 8.146 -0.174 1.214 1.00 1.72 H new ATOM 0 HH11 ARG A 57 9.007 1.430 4.239 1.00 1.80 H new ATOM 0 HH12 ARG A 57 10.611 1.906 3.672 1.00 1.80 H new ATOM 0 HH21 ARG A 57 10.200 0.475 0.471 1.00 3.00 H new ATOM 0 HH22 ARG A 57 11.285 1.366 1.543 1.00 3.00 H new ATOM 610 N VAL A 58 2.935 -1.558 3.311 1.00 0.67 N ATOM 611 CA VAL A 58 2.101 -0.564 3.931 1.00 0.69 C ATOM 612 C VAL A 58 2.917 0.316 4.872 1.00 0.68 C ATOM 613 O VAL A 58 3.488 -0.149 5.862 1.00 0.73 O ATOM 614 CB VAL A 58 0.994 -1.264 4.724 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.217 -0.277 5.589 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.057 -2.011 3.786 1.00 0.88 C ATOM 0 H VAL A 58 2.803 -2.503 3.672 1.00 0.67 H new ATOM 0 HA VAL A 58 1.668 0.067 3.154 1.00 0.69 H new ATOM 0 HB VAL A 58 1.467 -1.985 5.391 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.561 -0.808 6.138 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.896 0.202 6.294 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.241 0.482 4.954 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.724 -2.502 4.367 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.398 -1.307 3.089 1.00 0.88 H new ATOM 0 HG23 VAL A 58 0.620 -2.760 3.229 1.00 0.88 H new ATOM 626 N LEU A 59 2.980 1.580 4.513 1.00 0.70 N ATOM 627 CA LEU A 59 3.630 2.607 5.298 1.00 0.77 C ATOM 628 C LEU A 59 2.573 3.245 6.198 1.00 0.91 C ATOM 629 O LEU A 59 1.733 4.009 5.728 1.00 1.02 O ATOM 630 CB LEU A 59 4.252 3.641 4.337 1.00 0.74 C ATOM 631 CG LEU A 59 5.378 4.527 4.887 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.857 5.526 5.909 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.485 3.673 5.478 1.00 0.99 C ATOM 0 H LEU A 59 2.571 1.930 3.647 1.00 0.70 H new ATOM 0 HA LEU A 59 4.426 2.199 5.920 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.638 3.105 3.470 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.454 4.292 3.981 1.00 0.74 H new ATOM 0 HG LEU A 59 5.789 5.099 4.055 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.683 6.135 6.276 1.00 1.13 H new ATOM 0 HD12 LEU A 59 4.111 6.169 5.442 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.403 4.990 6.743 1.00 1.13 H new ATOM 0 HD21 LEU A 59 7.275 4.317 5.863 1.00 0.99 H new ATOM 0 HD22 LEU A 59 6.083 3.067 6.290 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.893 3.021 4.706 1.00 0.99 H new ATOM 645 N ASP A 60 2.609 2.923 7.482 1.00 1.06 N ATOM 646 CA ASP A 60 1.559 3.350 8.403 1.00 1.31 C ATOM 647 C ASP A 60 2.152 4.161 9.547 1.00 1.32 C ATOM 648 O ASP A 60 1.700 4.091 10.691 1.00 2.09 O ATOM 649 CB ASP A 60 0.781 2.133 8.936 1.00 1.89 C ATOM 650 CG ASP A 60 1.622 1.193 9.788 1.00 2.15 C ATOM 651 OD1 ASP A 60 2.720 0.799 9.347 1.00 2.89 O ATOM 652 OD2 ASP A 60 1.165 0.821 10.894 1.00 2.30 O ATOM 0 H ASP A 60 3.350 2.369 7.912 1.00 1.06 H new ATOM 0 HA ASP A 60 0.860 3.988 7.862 1.00 1.31 H new ATOM 0 HB2 ASP A 60 -0.065 2.484 9.526 1.00 1.89 H new ATOM 0 HB3 ASP A 60 0.372 1.577 8.092 1.00 1.89 H new ATOM 657 N ALA A 61 3.137 4.976 9.211 1.00 1.32 N ATOM 658 CA ALA A 61 3.832 5.792 10.191 1.00 1.55 C ATOM 659 C ALA A 61 3.910 7.235 9.715 1.00 1.25 C ATOM 660 O ALA A 61 3.774 7.515 8.522 1.00 1.76 O ATOM 661 CB ALA A 61 5.227 5.235 10.435 1.00 2.66 C ATOM 0 H ALA A 61 3.476 5.090 8.256 1.00 1.32 H new ATOM 0 HA ALA A 61 3.277 5.769 11.129 1.00 1.55 H new ATOM 0 HB1 ALA A 61 5.742 5.853 11.171 1.00 2.66 H new ATOM 0 HB2 ALA A 61 5.151 4.214 10.808 1.00 2.66 H new ATOM 0 HB3 ALA A 61 5.789 5.239 9.501 1.00 2.66 H new ATOM 667 N CYS A 62 4.135 8.147 10.653 1.00 1.19 N ATOM 668 CA CYS A 62 4.192 9.576 10.357 1.00 1.18 C ATOM 669 C CYS A 62 5.440 9.940 9.555 1.00 1.18 C ATOM 670 O CYS A 62 5.633 11.098 9.181 1.00 1.66 O ATOM 671 CB CYS A 62 4.147 10.375 11.658 1.00 1.44 C ATOM 672 SG CYS A 62 5.343 9.828 12.901 1.00 2.09 S ATOM 0 H CYS A 62 4.283 7.920 11.636 1.00 1.19 H new ATOM 0 HA CYS A 62 3.326 9.827 9.745 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.328 11.426 11.433 1.00 1.44 H new ATOM 0 HB3 CYS A 62 3.144 10.307 12.079 1.00 1.44 H new ATOM 0 HG CYS A 62 5.230 10.566 13.966 1.00 2.09 H new ATOM 678 N SER A 63 6.280 8.945 9.295 1.00 1.03 N ATOM 679 CA SER A 63 7.476 9.132 8.490 1.00 1.07 C ATOM 680 C SER A 63 7.106 9.455 7.037 1.00 1.01 C ATOM 681 O SER A 63 6.046 9.055 6.547 1.00 1.03 O ATOM 682 CB SER A 63 8.327 7.862 8.552 1.00 1.23 C ATOM 683 OG SER A 63 8.493 7.436 9.894 1.00 1.76 O ATOM 0 H SER A 63 6.151 7.992 9.635 1.00 1.03 H new ATOM 0 HA SER A 63 8.046 9.972 8.887 1.00 1.07 H new ATOM 0 HB2 SER A 63 7.853 7.072 7.970 1.00 1.23 H new ATOM 0 HB3 SER A 63 9.302 8.049 8.101 1.00 1.23 H new ATOM 0 HG SER A 63 9.038 6.622 9.914 1.00 1.76 H new ATOM 689 N SER A 64 7.982 10.178 6.351 1.00 1.04 N ATOM 690 CA SER A 64 7.730 10.604 4.978 1.00 1.05 C ATOM 691 C SER A 64 8.346 9.630 3.976 1.00 0.99 C ATOM 692 O SER A 64 8.377 9.893 2.777 1.00 1.01 O ATOM 693 CB SER A 64 8.270 12.015 4.762 1.00 1.23 C ATOM 694 OG SER A 64 7.659 12.926 5.661 1.00 1.95 O ATOM 0 H SER A 64 8.880 10.484 6.725 1.00 1.04 H new ATOM 0 HA SER A 64 6.653 10.610 4.812 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.350 12.023 4.906 1.00 1.23 H new ATOM 0 HB3 SER A 64 8.083 12.329 3.735 1.00 1.23 H new ATOM 0 HG SER A 64 7.062 13.525 5.165 1.00 1.95 H new ATOM 700 N GLU A 65 8.839 8.502 4.483 1.00 0.97 N ATOM 701 CA GLU A 65 9.447 7.471 3.645 1.00 0.96 C ATOM 702 C GLU A 65 8.414 6.844 2.697 1.00 0.83 C ATOM 703 O GLU A 65 8.759 6.059 1.810 1.00 0.86 O ATOM 704 CB GLU A 65 10.084 6.389 4.529 1.00 1.04 C ATOM 705 CG GLU A 65 10.952 5.405 3.762 1.00 1.17 C ATOM 706 CD GLU A 65 11.566 4.346 4.652 1.00 1.41 C ATOM 707 OE1 GLU A 65 12.068 4.695 5.738 1.00 1.70 O ATOM 708 OE2 GLU A 65 11.558 3.156 4.266 1.00 1.51 O ATOM 0 H GLU A 65 8.829 8.278 5.478 1.00 0.97 H new ATOM 0 HA GLU A 65 10.220 7.938 3.035 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.688 6.870 5.298 1.00 1.04 H new ATOM 0 HB3 GLU A 65 9.294 5.840 5.042 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.351 4.922 2.992 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.747 5.950 3.252 1.00 1.17 H new ATOM 715 N ALA A 66 7.146 7.195 2.886 1.00 0.78 N ATOM 716 CA ALA A 66 6.083 6.690 2.034 1.00 0.71 C ATOM 717 C ALA A 66 6.194 7.284 0.638 1.00 0.66 C ATOM 718 O ALA A 66 6.472 8.466 0.480 1.00 0.90 O ATOM 719 CB ALA A 66 4.726 7.015 2.629 1.00 0.80 C ATOM 0 H ALA A 66 6.833 7.827 3.622 1.00 0.78 H new ATOM 0 HA ALA A 66 6.185 5.607 1.965 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.941 6.629 1.978 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.640 6.554 3.613 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.620 8.096 2.724 1.00 0.80 H new ATOM 725 N THR A 67 5.971 6.467 -0.373 1.00 0.57 N ATOM 726 CA THR A 67 6.064 6.925 -1.746 1.00 0.51 C ATOM 727 C THR A 67 4.748 6.651 -2.471 1.00 0.41 C ATOM 728 O THR A 67 4.737 6.234 -3.623 1.00 0.55 O ATOM 729 CB THR A 67 7.252 6.251 -2.477 1.00 0.62 C ATOM 730 OG1 THR A 67 7.392 6.762 -3.812 1.00 0.67 O ATOM 731 CG2 THR A 67 7.080 4.739 -2.526 1.00 0.70 C ATOM 0 H THR A 67 5.724 5.483 -0.270 1.00 0.57 H new ATOM 0 HA THR A 67 6.248 7.999 -1.746 1.00 0.51 H new ATOM 0 HB THR A 67 8.154 6.484 -1.912 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.529 6.710 -4.274 1.00 0.67 H new ATOM 0 HG21 THR A 67 7.929 4.293 -3.045 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.028 4.346 -1.511 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.160 4.494 -3.058 1.00 0.70 H new ATOM 739 N HIS A 68 3.645 6.967 -1.786 1.00 0.50 N ATOM 740 CA HIS A 68 2.281 6.673 -2.256 1.00 0.42 C ATOM 741 C HIS A 68 1.287 6.929 -1.147 1.00 0.44 C ATOM 742 O HIS A 68 1.138 6.108 -0.253 1.00 0.61 O ATOM 743 CB HIS A 68 2.103 5.221 -2.746 1.00 0.51 C ATOM 744 CG HIS A 68 2.350 5.037 -4.213 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.061 3.980 -4.729 1.00 1.34 N ATOM 746 CD2 HIS A 68 1.998 5.799 -5.271 1.00 1.05 C ATOM 747 CE1 HIS A 68 3.144 4.105 -6.039 1.00 1.10 C ATOM 748 NE2 HIS A 68 2.507 5.203 -6.399 1.00 0.72 N ATOM 0 H HIS A 68 3.670 7.438 -0.882 1.00 0.50 H new ATOM 0 HA HIS A 68 2.104 7.333 -3.105 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.783 4.575 -2.190 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.090 4.892 -2.515 1.00 0.51 H new ATOM 0 HD1 HIS A 68 3.462 3.217 -4.183 1.00 1.34 H new ATOM 0 HD2 HIS A 68 1.421 6.711 -5.236 1.00 1.05 H new ATOM 0 HE1 HIS A 68 3.649 3.422 -6.706 1.00 1.10 H new ATOM 757 N VAL A 69 0.616 8.065 -1.189 1.00 0.37 N ATOM 758 CA VAL A 69 -0.479 8.316 -0.279 1.00 0.36 C ATOM 759 C VAL A 69 -1.774 8.073 -1.035 1.00 0.34 C ATOM 760 O VAL A 69 -2.028 8.713 -2.048 1.00 0.43 O ATOM 761 CB VAL A 69 -0.465 9.754 0.275 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.685 9.989 1.150 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.809 10.014 1.069 1.00 0.43 C ATOM 0 H VAL A 69 0.811 8.824 -1.842 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.383 7.648 0.577 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.493 10.447 -0.566 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.665 11.008 1.536 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.590 9.842 0.560 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.677 9.285 1.982 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.798 11.035 1.451 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.867 9.315 1.903 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.675 9.878 0.422 1.00 0.43 H new ATOM 773 N VAL A 70 -2.573 7.149 -0.549 1.00 0.35 N ATOM 774 CA VAL A 70 -3.784 6.719 -1.233 1.00 0.36 C ATOM 775 C VAL A 70 -5.004 7.053 -0.392 1.00 0.39 C ATOM 776 O VAL A 70 -5.150 6.576 0.736 1.00 0.65 O ATOM 777 CB VAL A 70 -3.745 5.208 -1.519 1.00 0.46 C ATOM 778 CG1 VAL A 70 -3.126 4.938 -2.879 1.00 0.90 C ATOM 779 CG2 VAL A 70 -2.971 4.479 -0.438 1.00 0.69 C ATOM 0 H VAL A 70 -2.405 6.669 0.335 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.845 7.249 -2.184 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.770 4.837 -1.523 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.107 3.864 -3.063 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.718 5.429 -3.652 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -2.108 5.328 -2.899 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.955 3.412 -0.659 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -1.949 4.858 -0.404 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.451 4.643 0.527 1.00 0.69 H new ATOM 789 N MET A 71 -5.863 7.896 -0.935 1.00 0.35 N ATOM 790 CA MET A 71 -7.042 8.352 -0.220 1.00 0.34 C ATOM 791 C MET A 71 -8.306 7.837 -0.884 1.00 0.30 C ATOM 792 O MET A 71 -8.335 7.632 -2.098 1.00 0.37 O ATOM 793 CB MET A 71 -7.064 9.883 -0.149 1.00 0.45 C ATOM 794 CG MET A 71 -5.812 10.473 0.483 1.00 1.06 C ATOM 795 SD MET A 71 -6.002 12.200 0.965 1.00 1.38 S ATOM 796 CE MET A 71 -7.337 12.098 2.155 1.00 1.68 C ATOM 0 H MET A 71 -5.766 8.281 -1.875 1.00 0.35 H new ATOM 0 HA MET A 71 -7.001 7.955 0.794 1.00 0.34 H new ATOM 0 HB2 MET A 71 -7.179 10.285 -1.156 1.00 0.45 H new ATOM 0 HB3 MET A 71 -7.936 10.201 0.423 1.00 0.45 H new ATOM 0 HG2 MET A 71 -5.545 9.885 1.361 1.00 1.06 H new ATOM 0 HG3 MET A 71 -4.984 10.388 -0.221 1.00 1.06 H new ATOM 0 HE1 MET A 71 -7.972 12.980 2.066 1.00 1.68 H new ATOM 0 HE2 MET A 71 -7.929 11.203 1.962 1.00 1.68 H new ATOM 0 HE3 MET A 71 -6.924 12.049 3.162 1.00 1.68 H new ATOM 806 N GLU A 72 -9.337 7.613 -0.080 1.00 0.33 N ATOM 807 CA GLU A 72 -10.606 7.105 -0.576 1.00 0.39 C ATOM 808 C GLU A 72 -11.660 8.204 -0.526 1.00 0.41 C ATOM 809 O GLU A 72 -11.727 8.959 0.448 1.00 0.49 O ATOM 810 CB GLU A 72 -11.049 5.894 0.255 1.00 0.56 C ATOM 811 CG GLU A 72 -12.370 5.281 -0.188 1.00 1.10 C ATOM 812 CD GLU A 72 -12.376 4.880 -1.650 1.00 1.59 C ATOM 813 OE1 GLU A 72 -12.737 5.719 -2.500 1.00 2.28 O ATOM 814 OE2 GLU A 72 -12.028 3.721 -1.956 1.00 1.94 O ATOM 0 H GLU A 72 -9.317 7.777 0.926 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.484 6.787 -1.611 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.273 5.130 0.206 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.134 6.196 1.299 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -12.581 4.404 0.424 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -13.174 5.995 -0.010 1.00 1.10 H new ATOM 821 N GLU A 73 -12.469 8.283 -1.580 1.00 0.51 N ATOM 822 CA GLU A 73 -13.501 9.315 -1.716 1.00 0.68 C ATOM 823 C GLU A 73 -12.911 10.709 -1.516 1.00 0.66 C ATOM 824 O GLU A 73 -13.508 11.570 -0.866 1.00 0.81 O ATOM 825 CB GLU A 73 -14.640 9.074 -0.721 1.00 0.87 C ATOM 826 CG GLU A 73 -15.292 7.710 -0.864 1.00 1.08 C ATOM 827 CD GLU A 73 -16.490 7.538 0.039 1.00 1.30 C ATOM 828 OE1 GLU A 73 -16.302 7.255 1.240 1.00 1.74 O ATOM 829 OE2 GLU A 73 -17.631 7.682 -0.449 1.00 1.54 O ATOM 0 H GLU A 73 -12.430 7.634 -2.366 1.00 0.51 H new ATOM 0 HA GLU A 73 -13.903 9.255 -2.728 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.254 9.179 0.293 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.398 9.846 -0.855 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.599 7.566 -1.900 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.558 6.936 -0.639 1.00 1.08 H new ATOM 836 N THR A 74 -11.736 10.926 -2.076 1.00 0.57 N ATOM 837 CA THR A 74 -11.023 12.174 -1.887 1.00 0.56 C ATOM 838 C THR A 74 -10.626 12.785 -3.226 1.00 0.56 C ATOM 839 O THR A 74 -9.976 12.136 -4.045 1.00 0.75 O ATOM 840 CB THR A 74 -9.767 11.944 -1.027 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.126 11.264 0.183 1.00 1.11 O ATOM 842 CG2 THR A 74 -9.089 13.257 -0.684 1.00 0.63 C ATOM 0 H THR A 74 -11.254 10.250 -2.668 1.00 0.57 H new ATOM 0 HA THR A 74 -11.689 12.868 -1.374 1.00 0.56 H new ATOM 0 HB THR A 74 -9.070 11.335 -1.603 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.556 10.411 -0.036 1.00 1.11 H new ATOM 0 HG21 THR A 74 -8.205 13.062 -0.076 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.793 13.765 -1.602 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.781 13.889 -0.127 1.00 0.63 H new ATOM 850 N SER A 75 -11.045 14.023 -3.453 1.00 0.55 N ATOM 851 CA SER A 75 -10.697 14.729 -4.674 1.00 0.63 C ATOM 852 C SER A 75 -9.271 15.270 -4.577 1.00 0.53 C ATOM 853 O SER A 75 -8.703 15.339 -3.484 1.00 0.52 O ATOM 854 CB SER A 75 -11.682 15.868 -4.932 1.00 0.76 C ATOM 855 OG SER A 75 -11.617 16.310 -6.279 1.00 1.31 O ATOM 0 H SER A 75 -11.626 14.557 -2.807 1.00 0.55 H new ATOM 0 HA SER A 75 -10.752 14.031 -5.510 1.00 0.63 H new ATOM 0 HB2 SER A 75 -12.695 15.535 -4.705 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.463 16.700 -4.263 1.00 0.76 H new ATOM 0 HG SER A 75 -12.259 17.038 -6.416 1.00 1.31 H new ATOM 861 N ALA A 76 -8.704 15.637 -5.721 1.00 0.52 N ATOM 862 CA ALA A 76 -7.325 16.115 -5.801 1.00 0.49 C ATOM 863 C ALA A 76 -7.005 17.172 -4.745 1.00 0.40 C ATOM 864 O ALA A 76 -6.166 16.942 -3.876 1.00 0.41 O ATOM 865 CB ALA A 76 -7.049 16.666 -7.186 1.00 0.57 C ATOM 0 H ALA A 76 -9.186 15.612 -6.620 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.677 15.261 -5.604 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.020 17.020 -7.238 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.200 15.881 -7.927 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.728 17.494 -7.390 1.00 0.57 H new ATOM 871 N GLU A 77 -7.687 18.313 -4.798 1.00 0.42 N ATOM 872 CA GLU A 77 -7.391 19.424 -3.890 1.00 0.44 C ATOM 873 C GLU A 77 -7.628 19.026 -2.432 1.00 0.38 C ATOM 874 O GLU A 77 -6.933 19.503 -1.530 1.00 0.39 O ATOM 875 CB GLU A 77 -8.229 20.651 -4.256 1.00 0.61 C ATOM 876 CG GLU A 77 -9.721 20.441 -4.080 1.00 1.06 C ATOM 877 CD GLU A 77 -10.545 21.606 -4.588 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.586 22.654 -3.912 1.00 1.91 O ATOM 879 OE2 GLU A 77 -11.161 21.480 -5.662 1.00 1.80 O ATOM 0 H GLU A 77 -8.445 18.495 -5.456 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.336 19.677 -4.000 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -7.914 21.493 -3.640 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.028 20.922 -5.293 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.020 19.535 -4.607 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -9.938 20.282 -3.024 1.00 1.06 H new ATOM 886 N GLU A 78 -8.604 18.145 -2.217 1.00 0.41 N ATOM 887 CA GLU A 78 -8.877 17.588 -0.895 1.00 0.43 C ATOM 888 C GLU A 78 -7.637 16.893 -0.350 1.00 0.38 C ATOM 889 O GLU A 78 -7.179 17.182 0.757 1.00 0.40 O ATOM 890 CB GLU A 78 -10.020 16.572 -0.978 1.00 0.51 C ATOM 891 CG GLU A 78 -11.387 17.171 -1.251 1.00 0.59 C ATOM 892 CD GLU A 78 -12.146 17.481 0.022 1.00 1.23 C ATOM 893 OE1 GLU A 78 -12.813 16.567 0.552 1.00 1.95 O ATOM 894 OE2 GLU A 78 -12.081 18.634 0.501 1.00 1.38 O ATOM 0 H GLU A 78 -9.224 17.800 -2.950 1.00 0.41 H new ATOM 0 HA GLU A 78 -9.159 18.404 -0.230 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.791 15.852 -1.764 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -10.063 16.017 -0.041 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.270 18.085 -1.833 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.969 16.478 -1.859 1.00 0.59 H new ATOM 901 N ALA A 79 -7.094 15.984 -1.152 1.00 0.34 N ATOM 902 CA ALA A 79 -5.936 15.206 -0.749 1.00 0.32 C ATOM 903 C ALA A 79 -4.681 16.063 -0.717 1.00 0.33 C ATOM 904 O ALA A 79 -3.784 15.825 0.090 1.00 0.38 O ATOM 905 CB ALA A 79 -5.742 14.012 -1.675 1.00 0.32 C ATOM 0 H ALA A 79 -7.441 15.770 -2.087 1.00 0.34 H new ATOM 0 HA ALA A 79 -6.118 14.837 0.260 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.869 13.442 -1.356 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.625 13.375 -1.637 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.592 14.364 -2.696 1.00 0.32 H new ATOM 911 N VAL A 80 -4.620 17.073 -1.582 1.00 0.33 N ATOM 912 CA VAL A 80 -3.450 17.936 -1.675 1.00 0.39 C ATOM 913 C VAL A 80 -3.267 18.728 -0.389 1.00 0.45 C ATOM 914 O VAL A 80 -2.161 18.809 0.153 1.00 0.52 O ATOM 915 CB VAL A 80 -3.581 18.892 -2.887 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.630 20.070 -2.780 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.332 18.136 -4.182 1.00 0.44 C ATOM 0 H VAL A 80 -5.371 17.312 -2.229 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.569 17.310 -1.820 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.598 19.285 -2.888 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.753 20.717 -3.649 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.850 20.634 -1.874 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.603 19.706 -2.740 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.427 18.819 -5.026 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.328 17.713 -4.169 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.063 17.333 -4.281 1.00 0.44 H new ATOM 927 N SER A 81 -4.360 19.306 0.095 1.00 0.46 N ATOM 928 CA SER A 81 -4.350 20.005 1.368 1.00 0.55 C ATOM 929 C SER A 81 -3.844 19.082 2.475 1.00 0.53 C ATOM 930 O SER A 81 -3.097 19.508 3.357 1.00 0.59 O ATOM 931 CB SER A 81 -5.751 20.523 1.703 1.00 0.59 C ATOM 932 OG SER A 81 -5.704 21.497 2.729 1.00 1.03 O ATOM 0 H SER A 81 -5.264 19.303 -0.378 1.00 0.46 H new ATOM 0 HA SER A 81 -3.676 20.858 1.292 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.206 20.953 0.810 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.384 19.692 2.015 1.00 0.59 H new ATOM 0 HG SER A 81 -6.611 21.812 2.923 1.00 1.03 H new ATOM 938 N TRP A 82 -4.239 17.811 2.412 1.00 0.46 N ATOM 939 CA TRP A 82 -3.775 16.820 3.372 1.00 0.47 C ATOM 940 C TRP A 82 -2.275 16.557 3.221 1.00 0.48 C ATOM 941 O TRP A 82 -1.558 16.460 4.220 1.00 0.52 O ATOM 942 CB TRP A 82 -4.580 15.518 3.232 1.00 0.46 C ATOM 943 CG TRP A 82 -3.756 14.277 3.410 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.278 13.479 2.416 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.298 13.702 4.643 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.551 12.449 2.947 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.550 12.559 4.309 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.446 14.037 5.992 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.954 11.750 5.267 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.851 13.231 6.945 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.111 12.099 6.576 1.00 0.43 C ATOM 0 H TRP A 82 -4.879 17.447 1.706 1.00 0.46 H new ATOM 0 HA TRP A 82 -3.937 17.219 4.373 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.384 15.518 3.968 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -5.048 15.495 2.248 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.448 13.636 1.361 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -2.085 11.716 2.412 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.014 14.908 6.284 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.386 10.875 4.986 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -2.958 13.478 7.991 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.656 11.491 7.344 1.00 0.43 H new ATOM 962 N GLN A 83 -1.799 16.431 1.982 1.00 0.49 N ATOM 963 CA GLN A 83 -0.380 16.187 1.747 1.00 0.55 C ATOM 964 C GLN A 83 0.453 17.292 2.377 1.00 0.60 C ATOM 965 O GLN A 83 1.374 17.020 3.147 1.00 0.61 O ATOM 966 CB GLN A 83 -0.061 16.081 0.255 1.00 0.64 C ATOM 967 CG GLN A 83 1.364 15.607 -0.012 1.00 0.84 C ATOM 968 CD GLN A 83 1.681 15.438 -1.486 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.452 14.557 -1.862 1.00 1.48 O ATOM 970 NE2 GLN A 83 1.126 16.299 -2.323 1.00 0.98 N ATOM 0 H GLN A 83 -2.368 16.493 1.138 1.00 0.49 H new ATOM 0 HA GLN A 83 -0.130 15.233 2.210 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.763 15.391 -0.214 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.209 17.054 -0.214 1.00 0.64 H new ATOM 0 HG2 GLN A 83 2.063 16.322 0.422 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.523 14.656 0.497 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.491 17.016 -1.971 1.00 0.98 H new ATOM 0 HE22 GLN A 83 1.333 16.246 -3.320 1.00 0.98 H new ATOM 979 N GLU A 84 0.115 18.537 2.066 1.00 0.68 N ATOM 980 CA GLU A 84 0.797 19.683 2.650 1.00 0.78 C ATOM 981 C GLU A 84 0.713 19.667 4.169 1.00 0.82 C ATOM 982 O GLU A 84 1.657 20.063 4.857 1.00 0.95 O ATOM 983 CB GLU A 84 0.209 20.982 2.114 1.00 0.86 C ATOM 984 CG GLU A 84 0.572 21.231 0.668 1.00 0.94 C ATOM 985 CD GLU A 84 2.067 21.346 0.453 1.00 1.25 C ATOM 986 OE1 GLU A 84 2.644 22.395 0.815 1.00 1.47 O ATOM 987 OE2 GLU A 84 2.669 20.395 -0.086 1.00 1.61 O ATOM 0 H GLU A 84 -0.629 18.778 1.411 1.00 0.68 H new ATOM 0 HA GLU A 84 1.848 19.619 2.367 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -0.876 20.953 2.213 1.00 0.86 H new ATOM 0 HB3 GLU A 84 0.562 21.815 2.722 1.00 0.86 H new ATOM 0 HG2 GLU A 84 0.182 20.419 0.055 1.00 0.94 H new ATOM 0 HG3 GLU A 84 0.089 22.147 0.329 1.00 0.94 H new ATOM 994 N ARG A 85 -0.415 19.202 4.690 1.00 0.77 N ATOM 995 CA ARG A 85 -0.623 19.130 6.127 1.00 0.87 C ATOM 996 C ARG A 85 0.363 18.159 6.768 1.00 0.80 C ATOM 997 O ARG A 85 1.025 18.497 7.748 1.00 0.93 O ATOM 998 CB ARG A 85 -2.060 18.699 6.425 1.00 0.96 C ATOM 999 CG ARG A 85 -2.460 18.843 7.882 1.00 1.23 C ATOM 1000 CD ARG A 85 -3.898 18.410 8.104 1.00 1.45 C ATOM 1001 NE ARG A 85 -4.344 18.697 9.463 1.00 2.09 N ATOM 1002 CZ ARG A 85 -5.327 18.044 10.080 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -5.947 17.038 9.477 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -5.691 18.392 11.304 1.00 3.26 N ATOM 0 H ARG A 85 -1.202 18.868 4.134 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.452 20.119 6.552 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.740 19.291 5.812 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -2.185 17.658 6.126 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -1.797 18.242 8.505 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -2.338 19.880 8.194 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -4.546 18.922 7.393 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.991 17.342 7.908 1.00 1.45 H new ATOM 0 HE ARG A 85 -3.873 19.445 9.973 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -5.672 16.760 8.535 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -6.699 16.542 9.955 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -5.218 19.162 11.777 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -6.444 17.890 11.774 1.00 3.26 H new ATOM 1018 N ARG A 86 0.485 16.957 6.204 1.00 0.71 N ATOM 1019 CA ARG A 86 1.403 15.964 6.759 1.00 0.80 C ATOM 1020 C ARG A 86 2.855 16.350 6.488 1.00 0.75 C ATOM 1021 O ARG A 86 3.766 15.867 7.154 1.00 0.78 O ATOM 1022 CB ARG A 86 1.113 14.552 6.236 1.00 0.96 C ATOM 1023 CG ARG A 86 1.362 14.355 4.751 1.00 1.18 C ATOM 1024 CD ARG A 86 1.366 12.874 4.383 1.00 1.04 C ATOM 1025 NE ARG A 86 2.515 12.163 4.961 1.00 1.92 N ATOM 1026 CZ ARG A 86 2.439 11.335 6.009 1.00 2.68 C ATOM 1027 NH1 ARG A 86 1.286 11.173 6.650 1.00 2.91 N ATOM 1028 NH2 ARG A 86 3.524 10.691 6.430 1.00 3.72 N ATOM 0 H ARG A 86 -0.030 16.652 5.378 1.00 0.71 H new ATOM 0 HA ARG A 86 1.242 15.950 7.837 1.00 0.80 H new ATOM 0 HB2 ARG A 86 1.728 13.842 6.790 1.00 0.96 H new ATOM 0 HB3 ARG A 86 0.073 14.308 6.450 1.00 0.96 H new ATOM 0 HG2 ARG A 86 0.592 14.872 4.179 1.00 1.18 H new ATOM 0 HG3 ARG A 86 2.317 14.803 4.477 1.00 1.18 H new ATOM 0 HD2 ARG A 86 0.442 12.412 4.731 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.385 12.771 3.298 1.00 1.04 H new ATOM 0 HE ARG A 86 3.430 12.310 4.535 1.00 1.92 H new ATOM 0 HH11 ARG A 86 0.456 11.681 6.343 1.00 2.91 H new ATOM 0 HH12 ARG A 86 1.231 10.541 7.449 1.00 2.91 H new ATOM 0 HH21 ARG A 86 4.415 10.828 5.954 1.00 3.72 H new ATOM 0 HH22 ARG A 86 3.465 10.060 7.229 1.00 3.72 H new ATOM 1042 N MET A 87 3.070 17.219 5.506 1.00 0.77 N ATOM 1043 CA MET A 87 4.399 17.766 5.261 1.00 0.89 C ATOM 1044 C MET A 87 4.772 18.741 6.372 1.00 0.93 C ATOM 1045 O MET A 87 5.872 18.684 6.913 1.00 1.01 O ATOM 1046 CB MET A 87 4.471 18.473 3.901 1.00 1.11 C ATOM 1047 CG MET A 87 4.346 17.554 2.688 1.00 1.21 C ATOM 1048 SD MET A 87 5.885 16.712 2.241 1.00 1.69 S ATOM 1049 CE MET A 87 6.019 15.457 3.514 1.00 1.11 C ATOM 0 H MET A 87 2.347 17.558 4.871 1.00 0.77 H new ATOM 0 HA MET A 87 5.107 16.938 5.249 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.679 19.220 3.855 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.418 19.008 3.836 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.580 16.806 2.889 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.003 18.140 1.835 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.647 14.641 3.156 1.00 1.11 H new ATOM 0 HE2 MET A 87 6.464 15.892 4.409 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.027 15.073 3.753 1.00 1.11 H new ATOM 1059 N ALA A 88 3.852 19.643 6.700 1.00 0.97 N ATOM 1060 CA ALA A 88 4.045 20.575 7.809 1.00 1.13 C ATOM 1061 C ALA A 88 4.070 19.852 9.159 1.00 1.14 C ATOM 1062 O ALA A 88 4.546 20.396 10.155 1.00 1.29 O ATOM 1063 CB ALA A 88 2.951 21.632 7.798 1.00 1.32 C ATOM 0 H ALA A 88 2.962 19.749 6.213 1.00 0.97 H new ATOM 0 HA ALA A 88 5.014 21.056 7.675 1.00 1.13 H new ATOM 0 HB1 ALA A 88 3.103 22.322 8.628 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.986 22.182 6.858 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.979 21.150 7.900 1.00 1.32 H new ATOM 1069 N ALA A 89 3.543 18.635 9.188 1.00 1.05 N ATOM 1070 CA ALA A 89 3.553 17.831 10.403 1.00 1.18 C ATOM 1071 C ALA A 89 4.903 17.145 10.578 1.00 1.20 C ATOM 1072 O ALA A 89 5.337 16.874 11.701 1.00 1.45 O ATOM 1073 CB ALA A 89 2.434 16.802 10.368 1.00 1.25 C ATOM 0 H ALA A 89 3.104 18.184 8.386 1.00 1.05 H new ATOM 0 HA ALA A 89 3.389 18.491 11.255 1.00 1.18 H new ATOM 0 HB1 ALA A 89 2.456 16.210 11.283 1.00 1.25 H new ATOM 0 HB2 ALA A 89 1.474 17.311 10.288 1.00 1.25 H new ATOM 0 HB3 ALA A 89 2.570 16.146 9.508 1.00 1.25 H new ATOM 1079 N ALA A 90 5.562 16.876 9.461 1.00 1.01 N ATOM 1080 CA ALA A 90 6.862 16.229 9.467 1.00 1.10 C ATOM 1081 C ALA A 90 7.973 17.267 9.587 1.00 1.12 C ATOM 1082 O ALA A 90 7.841 18.387 9.099 1.00 1.00 O ATOM 1083 CB ALA A 90 7.034 15.402 8.198 1.00 1.05 C ATOM 0 H ALA A 90 5.211 17.100 8.530 1.00 1.01 H new ATOM 0 HA ALA A 90 6.923 15.565 10.329 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.011 14.919 8.208 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.254 14.642 8.150 1.00 1.05 H new ATOM 0 HB3 ALA A 90 6.960 16.053 7.327 1.00 1.05 H new ATOM 1089 N PRO A 91 9.071 16.917 10.266 1.00 1.40 N ATOM 1090 CA PRO A 91 10.230 17.807 10.395 1.00 1.57 C ATOM 1091 C PRO A 91 10.844 18.136 9.035 1.00 1.45 C ATOM 1092 O PRO A 91 11.016 17.245 8.193 1.00 1.42 O ATOM 1093 CB PRO A 91 11.215 17.002 11.248 1.00 1.91 C ATOM 1094 CG PRO A 91 10.763 15.585 11.147 1.00 1.96 C ATOM 1095 CD PRO A 91 9.274 15.639 10.967 1.00 1.67 C ATOM 0 HA PRO A 91 9.963 18.767 10.836 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.235 17.116 10.882 1.00 1.91 H new ATOM 0 HB3 PRO A 91 11.208 17.343 12.283 1.00 1.91 H new ATOM 0 HG2 PRO A 91 11.240 15.082 10.306 1.00 1.96 H new ATOM 0 HG3 PRO A 91 11.028 15.026 12.044 1.00 1.96 H new ATOM 0 HD2 PRO A 91 8.907 14.795 10.382 1.00 1.67 H new ATOM 0 HD3 PRO A 91 8.751 15.616 11.923 1.00 1.67 H new ATOM 1103 N PRO A 92 11.172 19.428 8.808 1.00 1.56 N ATOM 1104 CA PRO A 92 11.744 19.906 7.542 1.00 1.67 C ATOM 1105 C PRO A 92 12.872 19.011 7.037 1.00 1.87 C ATOM 1106 O PRO A 92 13.699 18.535 7.816 1.00 2.74 O ATOM 1107 CB PRO A 92 12.269 21.294 7.903 1.00 1.98 C ATOM 1108 CG PRO A 92 11.376 21.758 8.998 1.00 2.05 C ATOM 1109 CD PRO A 92 11.002 20.527 9.779 1.00 1.77 C ATOM 0 HA PRO A 92 11.013 19.909 6.733 1.00 1.67 H new ATOM 0 HB2 PRO A 92 13.308 21.253 8.229 1.00 1.98 H new ATOM 0 HB3 PRO A 92 12.230 21.968 7.047 1.00 1.98 H new ATOM 0 HG2 PRO A 92 11.883 22.484 9.634 1.00 2.05 H new ATOM 0 HG3 PRO A 92 10.490 22.250 8.597 1.00 2.05 H new ATOM 0 HD2 PRO A 92 11.645 20.395 10.649 1.00 1.77 H new ATOM 0 HD3 PRO A 92 9.977 20.582 10.145 1.00 1.77 H new ATOM 1117 N GLY A 93 12.902 18.795 5.735 1.00 1.48 N ATOM 1118 CA GLY A 93 13.801 17.817 5.162 1.00 1.64 C ATOM 1119 C GLY A 93 13.055 16.555 4.794 1.00 1.50 C ATOM 1120 O GLY A 93 13.643 15.569 4.349 1.00 1.68 O ATOM 0 H GLY A 93 12.315 19.283 5.058 1.00 1.48 H new ATOM 0 HA2 GLY A 93 14.281 18.233 4.276 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.593 17.583 5.874 1.00 1.64 H new ATOM 1124 N CYS A 94 11.747 16.602 4.990 1.00 1.28 N ATOM 1125 CA CYS A 94 10.868 15.484 4.682 1.00 1.27 C ATOM 1126 C CYS A 94 10.760 15.270 3.177 1.00 1.14 C ATOM 1127 O CYS A 94 10.597 16.224 2.412 1.00 1.17 O ATOM 1128 CB CYS A 94 9.486 15.750 5.278 1.00 1.33 C ATOM 1129 SG CYS A 94 8.808 17.366 4.838 1.00 2.34 S ATOM 0 H CYS A 94 11.264 17.417 5.368 1.00 1.28 H new ATOM 0 HA CYS A 94 11.287 14.577 5.118 1.00 1.27 H new ATOM 0 HB2 CYS A 94 8.799 14.973 4.942 1.00 1.33 H new ATOM 0 HB3 CYS A 94 9.547 15.674 6.364 1.00 1.33 H new ATOM 0 HG CYS A 94 9.221 17.701 3.652 1.00 2.34 H new ATOM 1135 N THR A 95 10.866 14.019 2.766 1.00 1.27 N ATOM 1136 CA THR A 95 10.773 13.665 1.362 1.00 1.33 C ATOM 1137 C THR A 95 9.311 13.615 0.914 1.00 0.96 C ATOM 1138 O THR A 95 8.499 12.900 1.499 1.00 0.86 O ATOM 1139 CB THR A 95 11.449 12.305 1.106 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.785 12.333 1.629 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.489 11.981 -0.380 1.00 2.23 C ATOM 0 H THR A 95 11.018 13.227 3.390 1.00 1.27 H new ATOM 0 HA THR A 95 11.289 14.431 0.782 1.00 1.33 H new ATOM 0 HB THR A 95 10.867 11.531 1.607 1.00 1.73 H new ATOM 0 HG1 THR A 95 13.217 11.468 1.469 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.972 11.015 -0.529 1.00 2.23 H new ATOM 0 HG22 THR A 95 10.472 11.943 -0.772 1.00 2.23 H new ATOM 0 HG23 THR A 95 12.051 12.753 -0.906 1.00 2.23 H new ATOM 1149 N PRO A 96 8.959 14.399 -0.118 1.00 0.93 N ATOM 1150 CA PRO A 96 7.592 14.452 -0.646 1.00 0.76 C ATOM 1151 C PRO A 96 7.182 13.141 -1.313 1.00 0.61 C ATOM 1152 O PRO A 96 7.843 12.674 -2.245 1.00 0.71 O ATOM 1153 CB PRO A 96 7.638 15.585 -1.681 1.00 1.07 C ATOM 1154 CG PRO A 96 8.911 16.316 -1.411 1.00 1.30 C ATOM 1155 CD PRO A 96 9.856 15.302 -0.843 1.00 1.27 C ATOM 0 HA PRO A 96 6.861 14.617 0.145 1.00 0.76 H new ATOM 0 HB2 PRO A 96 7.619 15.190 -2.697 1.00 1.07 H new ATOM 0 HB3 PRO A 96 6.777 16.245 -1.580 1.00 1.07 H new ATOM 0 HG2 PRO A 96 9.311 16.753 -2.326 1.00 1.30 H new ATOM 0 HG3 PRO A 96 8.750 17.135 -0.710 1.00 1.30 H new ATOM 0 HD2 PRO A 96 10.410 14.782 -1.624 1.00 1.27 H new ATOM 0 HD3 PRO A 96 10.592 15.760 -0.182 1.00 1.27 H new ATOM 1163 N PRO A 97 6.093 12.527 -0.830 1.00 0.50 N ATOM 1164 CA PRO A 97 5.566 11.280 -1.390 1.00 0.46 C ATOM 1165 C PRO A 97 4.788 11.496 -2.688 1.00 0.45 C ATOM 1166 O PRO A 97 4.830 12.573 -3.287 1.00 0.68 O ATOM 1167 CB PRO A 97 4.620 10.792 -0.294 1.00 0.59 C ATOM 1168 CG PRO A 97 4.144 12.035 0.372 1.00 0.69 C ATOM 1169 CD PRO A 97 5.297 12.997 0.321 1.00 0.64 C ATOM 0 HA PRO A 97 6.362 10.582 -1.650 1.00 0.46 H new ATOM 0 HB2 PRO A 97 3.789 10.223 -0.712 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.133 10.137 0.410 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.272 12.443 -0.139 1.00 0.69 H new ATOM 0 HG3 PRO A 97 3.846 11.837 1.402 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.957 14.023 0.181 1.00 0.64 H new ATOM 0 HD3 PRO A 97 5.877 12.977 1.244 1.00 0.64 H new ATOM 1177 N ALA A 98 4.076 10.461 -3.109 1.00 0.44 N ATOM 1178 CA ALA A 98 3.221 10.538 -4.282 1.00 0.44 C ATOM 1179 C ALA A 98 1.774 10.486 -3.842 1.00 0.38 C ATOM 1180 O ALA A 98 1.271 9.419 -3.485 1.00 0.39 O ATOM 1181 CB ALA A 98 3.508 9.397 -5.248 1.00 0.54 C ATOM 0 H ALA A 98 4.075 9.550 -2.650 1.00 0.44 H new ATOM 0 HA ALA A 98 3.422 11.475 -4.801 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.853 9.481 -6.115 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.548 9.447 -5.572 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.329 8.444 -4.749 1.00 0.54 H new ATOM 1187 N LEU A 99 1.111 11.628 -3.823 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.261 11.717 -3.369 1.00 0.44 C ATOM 1189 C LEU A 99 -1.222 11.345 -4.486 1.00 0.44 C ATOM 1190 O LEU A 99 -1.186 11.937 -5.559 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.521 13.151 -2.924 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.930 13.463 -2.448 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -2.172 12.892 -1.060 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -2.153 14.961 -2.470 1.00 0.46 C ATOM 0 H LEU A 99 1.510 12.518 -4.122 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.419 11.024 -2.543 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.173 13.390 -2.118 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.286 13.815 -3.756 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.645 12.993 -3.123 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -3.187 13.128 -0.741 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -2.042 11.810 -1.084 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -1.461 13.328 -0.358 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -3.164 15.183 -2.128 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -1.432 15.446 -1.811 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -2.023 15.333 -3.486 1.00 0.46 H new ATOM 1206 N LEU A 100 -2.066 10.359 -4.229 1.00 0.44 N ATOM 1207 CA LEU A 100 -3.024 9.897 -5.219 1.00 0.39 C ATOM 1208 C LEU A 100 -4.198 9.188 -4.551 1.00 0.44 C ATOM 1209 O LEU A 100 -4.383 9.274 -3.334 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.347 8.987 -6.258 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.978 8.408 -5.875 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.103 7.350 -4.792 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -0.290 7.833 -7.099 1.00 0.98 C ATOM 0 H LEU A 100 -2.107 9.862 -3.339 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.414 10.770 -5.743 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -3.020 8.157 -6.474 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -2.231 9.553 -7.183 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.372 9.221 -5.475 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.114 6.962 -4.546 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.551 7.792 -3.902 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.733 6.536 -5.150 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.680 7.426 -6.814 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.906 7.040 -7.524 1.00 0.98 H new ATOM 0 HD23 LEU A 100 -0.149 8.620 -7.840 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.995 8.501 -5.346 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.208 7.868 -4.849 1.00 0.44 C ATOM 1227 C ASP A 101 -5.993 6.365 -4.649 1.00 0.40 C ATOM 1228 O ASP A 101 -5.192 5.737 -5.349 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.341 8.124 -5.848 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.666 7.515 -5.437 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -8.854 6.306 -5.658 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -9.538 8.251 -4.934 1.00 1.92 O ATOM 0 H ASP A 101 -4.826 8.365 -6.343 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.471 8.294 -3.881 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.468 9.199 -5.971 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.053 7.724 -6.820 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.730 5.808 -3.676 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.633 4.394 -3.270 1.00 0.42 C ATOM 1239 C ILE A 102 -6.852 3.438 -4.444 1.00 0.46 C ATOM 1240 O ILE A 102 -6.499 2.256 -4.378 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.658 4.090 -2.146 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.625 2.617 -1.719 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.056 4.471 -2.597 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.326 2.197 -1.072 1.00 0.44 C ATOM 0 H ILE A 102 -7.421 6.333 -3.140 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.621 4.233 -2.900 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.379 4.689 -1.279 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.443 2.432 -1.023 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.803 1.991 -2.593 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.767 4.253 -1.800 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.086 5.536 -2.829 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.320 3.898 -3.486 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.380 1.143 -0.798 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.505 2.348 -1.773 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.155 2.796 -0.178 1.00 0.44 H new ATOM 1256 N SER A 103 -7.404 3.965 -5.520 1.00 0.42 N ATOM 1257 CA SER A 103 -7.716 3.157 -6.693 1.00 0.51 C ATOM 1258 C SER A 103 -6.451 2.594 -7.341 1.00 0.48 C ATOM 1259 O SER A 103 -6.489 1.538 -7.973 1.00 0.58 O ATOM 1260 CB SER A 103 -8.533 3.968 -7.697 1.00 0.66 C ATOM 1261 OG SER A 103 -7.999 5.271 -7.858 1.00 1.46 O ATOM 0 H SER A 103 -7.648 4.951 -5.610 1.00 0.42 H new ATOM 0 HA SER A 103 -8.316 2.308 -6.365 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.545 3.455 -8.659 1.00 0.66 H new ATOM 0 HB3 SER A 103 -9.567 4.035 -7.359 1.00 0.66 H new ATOM 0 HG SER A 103 -8.512 5.904 -7.314 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.331 3.309 -7.202 1.00 0.38 N ATOM 1268 CA TRP A 104 -4.032 2.770 -7.600 1.00 0.36 C ATOM 1269 C TRP A 104 -3.811 1.373 -7.015 1.00 0.34 C ATOM 1270 O TRP A 104 -3.443 0.445 -7.733 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.896 3.703 -7.154 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.548 3.030 -7.113 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.711 2.785 -8.166 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.890 2.504 -5.953 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.422 2.136 -7.724 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.333 1.952 -6.375 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.222 2.444 -4.600 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.224 1.350 -5.495 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.336 1.847 -3.724 1.00 0.31 C ATOM 1280 CH2 TRP A 104 0.875 1.306 -4.176 1.00 0.32 C ATOM 0 H TRP A 104 -5.299 4.254 -6.820 1.00 0.38 H new ATOM 0 HA TRP A 104 -4.026 2.697 -8.688 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.848 4.555 -7.833 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -3.127 4.097 -6.164 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.908 3.059 -9.192 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.202 1.841 -8.311 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -2.154 2.856 -4.244 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.158 0.932 -5.842 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.581 1.796 -2.673 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.546 0.845 -3.466 1.00 0.32 H new ATOM 1291 N LEU A 105 -4.058 1.227 -5.719 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.743 -0.011 -5.021 1.00 0.32 C ATOM 1293 C LEU A 105 -4.683 -1.132 -5.439 1.00 0.31 C ATOM 1294 O LEU A 105 -4.236 -2.225 -5.771 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.804 0.188 -3.504 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.366 -1.023 -2.675 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.939 -1.428 -3.019 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.486 -0.721 -1.192 1.00 0.35 C ATOM 0 H LEU A 105 -4.475 1.950 -5.132 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.727 -0.294 -5.296 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.175 1.038 -3.238 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.826 0.449 -3.227 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.025 -1.857 -2.917 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.650 -2.290 -2.418 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.879 -1.687 -4.076 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.265 -0.598 -2.810 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.171 -1.592 -0.617 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.851 0.129 -0.941 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.522 -0.483 -0.952 1.00 0.35 H new ATOM 1310 N THR A 106 -5.980 -0.867 -5.394 1.00 0.35 N ATOM 1311 CA THR A 106 -6.978 -1.840 -5.825 1.00 0.37 C ATOM 1312 C THR A 106 -6.746 -2.318 -7.264 1.00 0.36 C ATOM 1313 O THR A 106 -7.031 -3.473 -7.596 1.00 0.47 O ATOM 1314 CB THR A 106 -8.396 -1.264 -5.668 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.501 -0.003 -6.336 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.732 -1.086 -4.196 1.00 0.59 C ATOM 0 H THR A 106 -6.369 0.016 -5.063 1.00 0.35 H new ATOM 0 HA THR A 106 -6.875 -2.712 -5.179 1.00 0.37 H new ATOM 0 HB THR A 106 -9.100 -1.965 -6.116 1.00 0.47 H new ATOM 0 HG1 THR A 106 -7.673 0.176 -6.830 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.738 -0.678 -4.099 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.682 -2.051 -3.692 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.017 -0.401 -3.740 1.00 0.59 H new ATOM 1324 N GLU A 107 -6.201 -1.451 -8.112 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.860 -1.851 -9.472 1.00 0.39 C ATOM 1326 C GLU A 107 -4.539 -2.602 -9.486 1.00 0.33 C ATOM 1327 O GLU A 107 -4.310 -3.466 -10.333 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.783 -0.652 -10.412 1.00 0.46 C ATOM 1329 CG GLU A 107 -7.139 -0.156 -10.875 1.00 0.53 C ATOM 1330 CD GLU A 107 -7.022 0.872 -11.975 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.741 0.487 -13.130 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -7.194 2.071 -11.693 1.00 1.51 O ATOM 0 H GLU A 107 -5.988 -0.479 -7.885 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.655 -2.507 -9.828 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -5.261 0.161 -9.908 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -5.187 -0.922 -11.284 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.732 -1.000 -11.229 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.674 0.277 -10.030 1.00 0.53 H new ATOM 1339 N SER A 108 -3.680 -2.293 -8.526 1.00 0.35 N ATOM 1340 CA SER A 108 -2.409 -2.975 -8.410 1.00 0.36 C ATOM 1341 C SER A 108 -2.635 -4.400 -7.916 1.00 0.38 C ATOM 1342 O SER A 108 -2.007 -5.337 -8.404 1.00 0.46 O ATOM 1343 CB SER A 108 -1.462 -2.216 -7.475 1.00 0.45 C ATOM 1344 OG SER A 108 -1.145 -0.940 -8.007 1.00 0.88 O ATOM 0 H SER A 108 -3.843 -1.575 -7.820 1.00 0.35 H new ATOM 0 HA SER A 108 -1.939 -3.012 -9.393 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.926 -2.102 -6.495 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.548 -2.792 -7.330 1.00 0.45 H new ATOM 0 HG SER A 108 -1.879 -0.317 -7.823 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.548 -4.573 -6.961 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.966 -5.901 -6.523 1.00 0.43 C ATOM 1352 C LEU A 109 -4.747 -6.614 -7.617 1.00 0.52 C ATOM 1353 O LEU A 109 -4.871 -7.836 -7.615 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.828 -5.785 -5.276 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.156 -5.076 -4.106 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.019 -5.185 -2.875 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.779 -5.660 -3.845 1.00 0.86 C ATOM 0 H LEU A 109 -4.013 -3.806 -6.475 1.00 0.36 H new ATOM 0 HA LEU A 109 -3.072 -6.484 -6.299 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.743 -5.251 -5.531 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -5.121 -6.786 -4.958 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.034 -4.023 -4.358 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.532 -4.676 -2.043 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -5.987 -4.722 -3.067 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.163 -6.236 -2.623 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.316 -5.140 -3.006 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.872 -6.720 -3.608 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.159 -5.540 -4.733 1.00 0.86 H new ATOM 1369 N GLY A 110 -5.252 -5.832 -8.559 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.987 -6.391 -9.673 1.00 0.62 C ATOM 1371 C GLY A 110 -5.047 -6.947 -10.722 1.00 0.67 C ATOM 1372 O GLY A 110 -5.442 -7.744 -11.571 1.00 0.96 O ATOM 0 H GLY A 110 -5.165 -4.816 -8.571 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -6.648 -7.181 -9.317 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -6.620 -5.623 -10.118 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.795 -6.512 -10.656 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.763 -6.983 -11.564 1.00 0.53 C ATOM 1378 C ALA A 111 -1.820 -7.954 -10.859 1.00 0.59 C ATOM 1379 O ALA A 111 -1.247 -8.848 -11.484 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.983 -5.802 -12.121 1.00 0.48 C ATOM 0 H ALA A 111 -3.470 -5.826 -9.974 1.00 0.47 H new ATOM 0 HA ALA A 111 -3.243 -7.513 -12.387 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -1.211 -6.164 -12.801 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.661 -5.140 -12.660 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.517 -5.255 -11.302 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.669 -7.767 -9.553 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.753 -8.580 -8.776 1.00 0.60 C ATOM 1388 C GLY A 112 0.596 -7.907 -8.636 1.00 0.58 C ATOM 1389 O GLY A 112 1.556 -8.500 -8.142 1.00 0.66 O ATOM 0 H GLY A 112 -2.170 -7.060 -9.015 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -1.175 -8.763 -7.788 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.629 -9.551 -9.255 1.00 0.60 H new ATOM 1393 N GLN A 113 0.649 -6.651 -9.058 1.00 0.52 N ATOM 1394 CA GLN A 113 1.882 -5.879 -9.074 1.00 0.54 C ATOM 1395 C GLN A 113 1.548 -4.392 -9.114 1.00 0.50 C ATOM 1396 O GLN A 113 0.483 -4.010 -9.605 1.00 0.48 O ATOM 1397 CB GLN A 113 2.727 -6.259 -10.294 1.00 0.60 C ATOM 1398 CG GLN A 113 1.984 -6.142 -11.617 1.00 0.61 C ATOM 1399 CD GLN A 113 2.859 -6.457 -12.814 1.00 0.81 C ATOM 1400 OE1 GLN A 113 2.961 -7.607 -13.237 1.00 1.45 O ATOM 1401 NE2 GLN A 113 3.483 -5.435 -13.379 1.00 0.87 N ATOM 0 H GLN A 113 -0.164 -6.138 -9.399 1.00 0.52 H new ATOM 0 HA GLN A 113 2.454 -6.097 -8.172 1.00 0.54 H new ATOM 0 HB2 GLN A 113 3.610 -5.620 -10.326 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.079 -7.284 -10.175 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.130 -6.819 -11.609 1.00 0.61 H new ATOM 0 HG3 GLN A 113 1.589 -5.131 -11.718 1.00 0.61 H new ATOM 0 HE21 GLN A 113 3.372 -4.496 -12.997 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.074 -5.587 -14.196 1.00 0.87 H new ATOM 1410 N PRO A 114 2.435 -3.536 -8.579 1.00 0.53 N ATOM 1411 CA PRO A 114 2.232 -2.085 -8.580 1.00 0.52 C ATOM 1412 C PRO A 114 2.171 -1.517 -9.996 1.00 0.54 C ATOM 1413 O PRO A 114 3.188 -1.438 -10.691 1.00 0.62 O ATOM 1414 CB PRO A 114 3.447 -1.534 -7.826 1.00 0.57 C ATOM 1415 CG PRO A 114 4.463 -2.625 -7.858 1.00 0.68 C ATOM 1416 CD PRO A 114 3.697 -3.916 -7.921 1.00 0.60 C ATOM 0 HA PRO A 114 1.284 -1.810 -8.118 1.00 0.52 H new ATOM 0 HB2 PRO A 114 3.827 -0.630 -8.301 1.00 0.57 H new ATOM 0 HB3 PRO A 114 3.186 -1.270 -6.801 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.119 -2.520 -8.722 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.096 -2.592 -6.972 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.234 -4.674 -8.491 1.00 0.60 H new ATOM 0 HD3 PRO A 114 3.523 -4.328 -6.927 1.00 0.60 H new ATOM 1424 N VAL A 115 0.972 -1.143 -10.420 1.00 0.51 N ATOM 1425 CA VAL A 115 0.754 -0.614 -11.762 1.00 0.53 C ATOM 1426 C VAL A 115 1.477 0.716 -11.963 1.00 0.49 C ATOM 1427 O VAL A 115 1.653 1.488 -11.015 1.00 0.45 O ATOM 1428 CB VAL A 115 -0.750 -0.425 -12.061 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -1.469 -1.763 -12.052 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -1.392 0.544 -11.074 1.00 0.47 C ATOM 0 H VAL A 115 0.128 -1.196 -9.850 1.00 0.51 H new ATOM 0 HA VAL A 115 1.163 -1.349 -12.455 1.00 0.53 H new ATOM 0 HB VAL A 115 -0.843 0.008 -13.057 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -2.527 -1.609 -12.265 1.00 0.65 H new ATOM 0 HG12 VAL A 115 -1.037 -2.413 -12.813 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -1.360 -2.228 -11.072 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -2.450 0.656 -11.310 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -1.286 0.155 -10.061 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.900 1.514 -11.144 1.00 0.47 H new ATOM 1440 N PRO A 116 1.924 0.985 -13.201 1.00 0.56 N ATOM 1441 CA PRO A 116 2.587 2.243 -13.552 1.00 0.58 C ATOM 1442 C PRO A 116 1.637 3.425 -13.414 1.00 0.48 C ATOM 1443 O PRO A 116 0.700 3.579 -14.203 1.00 0.55 O ATOM 1444 CB PRO A 116 3.004 2.049 -15.017 1.00 0.72 C ATOM 1445 CG PRO A 116 2.910 0.581 -15.261 1.00 0.85 C ATOM 1446 CD PRO A 116 1.820 0.085 -14.358 1.00 0.69 C ATOM 0 HA PRO A 116 3.431 2.462 -12.898 1.00 0.58 H new ATOM 0 HB2 PRO A 116 2.348 2.602 -15.689 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.017 2.412 -15.189 1.00 0.72 H new ATOM 0 HG2 PRO A 116 2.678 0.372 -16.305 1.00 0.85 H new ATOM 0 HG3 PRO A 116 3.856 0.087 -15.040 1.00 0.85 H new ATOM 0 HD2 PRO A 116 0.841 0.148 -14.833 1.00 0.69 H new ATOM 0 HD3 PRO A 116 1.971 -0.957 -14.075 1.00 0.69 H new ATOM 1454 N VAL A 117 1.881 4.245 -12.406 1.00 0.46 N ATOM 1455 CA VAL A 117 1.008 5.363 -12.092 1.00 0.44 C ATOM 1456 C VAL A 117 1.023 6.412 -13.198 1.00 0.49 C ATOM 1457 O VAL A 117 2.085 6.851 -13.645 1.00 0.61 O ATOM 1458 CB VAL A 117 1.411 6.027 -10.759 1.00 0.58 C ATOM 1459 CG1 VAL A 117 0.483 7.187 -10.432 1.00 0.99 C ATOM 1460 CG2 VAL A 117 1.417 5.004 -9.633 1.00 1.25 C ATOM 0 H VAL A 117 2.685 4.155 -11.785 1.00 0.46 H new ATOM 0 HA VAL A 117 -0.001 4.959 -12.002 1.00 0.44 H new ATOM 0 HB VAL A 117 2.421 6.423 -10.865 1.00 0.58 H new ATOM 0 HG11 VAL A 117 0.786 7.640 -9.488 1.00 0.99 H new ATOM 0 HG12 VAL A 117 0.538 7.932 -11.226 1.00 0.99 H new ATOM 0 HG13 VAL A 117 -0.540 6.821 -10.347 1.00 0.99 H new ATOM 0 HG21 VAL A 117 1.704 5.491 -8.701 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.421 4.574 -9.527 1.00 1.25 H new ATOM 0 HG23 VAL A 117 2.131 4.213 -9.864 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.165 6.787 -13.650 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.310 7.879 -14.594 1.00 0.70 C ATOM 1472 C GLU A 118 -0.718 9.143 -13.849 1.00 0.71 C ATOM 1473 O GLU A 118 -1.206 9.059 -12.717 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.359 7.539 -15.654 1.00 0.84 C ATOM 1475 CG GLU A 118 -1.072 6.250 -16.400 1.00 1.34 C ATOM 1476 CD GLU A 118 -2.178 5.880 -17.365 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -3.252 5.434 -16.905 1.00 2.63 O ATOM 1478 OE2 GLU A 118 -1.978 6.021 -18.589 1.00 2.31 O ATOM 0 H GLU A 118 -1.044 6.348 -13.375 1.00 0.57 H new ATOM 0 HA GLU A 118 0.645 8.041 -15.094 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.335 7.463 -15.176 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.418 8.358 -16.370 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.135 6.352 -16.948 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -0.935 5.441 -15.682 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.532 10.298 -14.465 1.00 0.84 N ATOM 1486 CA CYS A 119 -0.866 11.569 -13.827 1.00 0.88 C ATOM 1487 C CYS A 119 -2.326 11.601 -13.367 1.00 0.79 C ATOM 1488 O CYS A 119 -2.638 12.108 -12.289 1.00 0.76 O ATOM 1489 CB CYS A 119 -0.581 12.716 -14.797 1.00 1.11 C ATOM 1490 SG CYS A 119 -1.014 12.338 -16.510 1.00 2.07 S ATOM 0 H CYS A 119 -0.151 10.386 -15.407 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.245 11.683 -12.938 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.136 13.598 -14.477 1.00 1.11 H new ATOM 0 HB3 CYS A 119 0.478 12.969 -14.746 1.00 1.11 H new ATOM 0 HG CYS A 119 -0.743 13.363 -17.262 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.213 11.025 -14.174 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.640 10.992 -13.862 1.00 0.82 C ATOM 1498 C ARG A 120 -4.898 10.184 -12.585 1.00 0.68 C ATOM 1499 O ARG A 120 -5.770 10.525 -11.789 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.412 10.404 -15.055 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.925 10.612 -15.011 1.00 1.58 C ATOM 1502 CD ARG A 120 -7.621 9.607 -14.102 1.00 2.22 C ATOM 1503 NE ARG A 120 -7.360 8.228 -14.514 1.00 2.86 N ATOM 1504 CZ ARG A 120 -7.725 7.154 -13.815 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -8.368 7.288 -12.661 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -7.441 5.944 -14.276 1.00 4.59 N ATOM 0 H ARG A 120 -2.967 10.572 -15.054 1.00 0.82 H new ATOM 0 HA ARG A 120 -4.991 12.008 -13.683 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -5.026 10.848 -15.973 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -5.209 9.334 -15.108 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -7.141 11.623 -14.664 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -7.330 10.528 -16.019 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -7.282 9.750 -13.076 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -8.695 9.792 -14.111 1.00 2.22 H new ATOM 0 HE ARG A 120 -6.866 8.079 -15.394 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -8.586 8.218 -12.304 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -8.644 6.461 -12.132 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -6.946 5.839 -15.161 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -7.718 5.118 -13.745 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.114 9.130 -12.385 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.270 8.262 -11.215 1.00 0.56 C ATOM 1522 C HIS A 121 -3.702 8.928 -9.972 1.00 0.50 C ATOM 1523 O HIS A 121 -4.036 8.550 -8.850 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.580 6.922 -11.445 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.443 5.753 -11.083 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -5.642 5.882 -10.418 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.292 4.432 -11.323 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.188 4.695 -10.267 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.394 3.792 -10.810 1.00 1.22 N ATOM 0 H HIS A 121 -3.362 8.853 -13.016 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.336 8.089 -11.064 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -3.291 6.843 -12.493 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -2.663 6.886 -10.858 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -3.458 3.965 -11.826 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.130 4.493 -9.779 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -5.569 2.788 -10.843 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.841 9.914 -10.186 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.246 10.675 -9.096 1.00 0.50 C ATOM 1540 C ARG A 122 -3.173 11.824 -8.709 1.00 0.62 C ATOM 1541 O ARG A 122 -3.259 12.204 -7.550 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.864 11.191 -9.523 1.00 0.64 C ATOM 1543 CG ARG A 122 -0.019 11.754 -8.391 1.00 0.75 C ATOM 1544 CD ARG A 122 1.392 12.076 -8.861 1.00 0.95 C ATOM 1545 NE ARG A 122 1.411 13.124 -9.877 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.495 13.817 -10.215 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.634 13.634 -9.561 1.00 2.38 N ATOM 1548 NH2 ARG A 122 2.427 14.723 -11.181 1.00 3.30 N ATOM 0 H ARG A 122 -2.537 10.207 -11.114 1.00 0.49 H new ATOM 0 HA ARG A 122 -2.115 10.035 -8.223 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.317 10.375 -9.996 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.998 11.965 -10.278 1.00 0.64 H new ATOM 0 HG2 ARG A 122 -0.488 12.656 -7.998 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.023 11.034 -7.573 1.00 0.75 H new ATOM 0 HD2 ARG A 122 1.994 12.389 -8.008 1.00 0.95 H new ATOM 0 HD3 ARG A 122 1.853 11.174 -9.263 1.00 0.95 H new ATOM 0 HE ARG A 122 0.538 13.339 -10.358 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.681 12.960 -8.797 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.464 14.167 -9.822 1.00 2.38 H new ATOM 0 HH21 ARG A 122 1.544 14.888 -11.664 1.00 3.30 H new ATOM 0 HH22 ARG A 122 3.258 15.255 -11.441 1.00 3.30 H new ATOM 1562 N LEU A 123 -3.894 12.293 -9.727 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.907 13.381 -9.692 1.00 0.82 C ATOM 1564 C LEU A 123 -4.491 14.692 -8.988 1.00 0.73 C ATOM 1565 O LEU A 123 -5.035 15.746 -9.320 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.270 12.900 -9.160 1.00 1.23 C ATOM 1567 CG LEU A 123 -6.336 12.436 -7.703 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -7.709 12.731 -7.134 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.062 10.949 -7.596 1.00 1.47 C ATOM 0 H LEU A 123 -3.789 11.907 -10.665 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.996 13.646 -10.746 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.986 13.712 -9.287 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.606 12.077 -9.791 1.00 1.23 H new ATOM 0 HG LEU A 123 -5.575 12.975 -7.139 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -7.752 12.399 -6.097 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -7.899 13.803 -7.180 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.465 12.203 -7.715 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.115 10.644 -6.551 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.806 10.399 -8.173 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.068 10.733 -7.987 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.551 14.630 -8.055 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.099 15.781 -7.289 1.00 0.63 C ATOM 1583 C GLU A 124 -2.742 16.969 -8.186 1.00 0.79 C ATOM 1584 O GLU A 124 -3.287 18.069 -7.959 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.907 15.345 -6.427 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.828 16.392 -6.266 1.00 1.70 C ATOM 1587 CD GLU A 124 0.567 15.814 -6.412 1.00 2.39 C ATOM 1588 OE1 GLU A 124 0.921 15.400 -7.535 1.00 3.01 O ATOM 1589 OE2 GLU A 124 1.318 15.789 -5.415 1.00 2.69 O ATOM 1590 OXT GLU A 124 -1.939 16.794 -9.129 1.00 1.11 O ATOM 0 H GLU A 124 -3.074 13.764 -7.806 1.00 0.59 H new ATOM 0 HA GLU A 124 -3.911 16.128 -6.650 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -2.273 15.065 -5.439 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -1.465 14.452 -6.868 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.973 17.176 -7.009 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.923 16.860 -5.286 1.00 1.70 H new TER 1597 GLU A 124