USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot -128:sc= 0.0789 USER MOD Set 1.2: A 108 GLN : amide:sc= 0.0821 K(o=0.16,f=-0.37) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= -0.0823 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= -0.171 USER MOD Set 3.1: A 60 LYS NZ :NH3+ -177:sc= 0.983 (180deg=0.946) USER MOD Set 3.2: A 87 ASN : amide:sc= 0.278 X(o=1.3,f=0.95) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 17 GLN : amide:sc= -1.99! C(o=-2!,f=-2.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0267) USER MOD Single : A 36 SER OG : rot 126:sc= -0.344 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.0025) USER MOD Single : A 56 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-1.9) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 74 THR OG1 : rot -104:sc= 0.0671 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 THR OG1 : rot 25:sc= 0.374 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 150:sc= 0.351 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 86:sc= 0.431 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN :FLIP amide:sc= -0.0333 F(o=-1.6!,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 8.240 -12.952 -7.006 1.00 1.44 N ATOM 38 CA ASP A 3 9.158 -12.585 -5.917 1.00 11.31 C ATOM 39 C ASP A 3 8.412 -11.752 -4.872 1.00 71.52 C ATOM 40 O ASP A 3 7.554 -10.935 -5.216 1.00 50.03 O ATOM 41 CB ASP A 3 10.376 -11.817 -6.507 1.00 53.44 C ATOM 42 CG ASP A 3 11.146 -10.958 -5.491 1.00 3.41 C ATOM 43 OD1 ASP A 3 11.717 -11.510 -4.530 1.00 23.32 O ATOM 44 OD2 ASP A 3 11.174 -9.720 -5.646 1.00 12.33 O ATOM 0 HA ASP A 3 9.532 -13.481 -5.421 1.00 11.31 H new ATOM 0 HB2 ASP A 3 11.064 -12.538 -6.948 1.00 53.44 H new ATOM 0 HB3 ASP A 3 10.026 -11.174 -7.315 1.00 53.44 H new ATOM 49 N ILE A 4 8.779 -11.961 -3.606 1.00 1.22 N ATOM 50 CA ILE A 4 8.096 -11.388 -2.431 1.00 32.22 C ATOM 51 C ILE A 4 8.381 -9.873 -2.275 1.00 35.30 C ATOM 52 O ILE A 4 7.511 -9.115 -1.824 1.00 71.31 O ATOM 53 CB ILE A 4 8.536 -12.168 -1.133 1.00 3.51 C ATOM 54 CG1 ILE A 4 8.258 -13.705 -1.269 1.00 34.23 C ATOM 55 CG2 ILE A 4 7.868 -11.604 0.137 1.00 10.42 C ATOM 56 CD1 ILE A 4 6.793 -14.106 -1.450 1.00 41.51 C ATOM 0 H ILE A 4 9.577 -12.546 -3.357 1.00 1.22 H new ATOM 0 HA ILE A 4 7.022 -11.498 -2.579 1.00 32.22 H new ATOM 0 HB ILE A 4 9.611 -12.023 -1.029 1.00 3.51 H new ATOM 0 HG12 ILE A 4 8.826 -14.083 -2.119 1.00 34.23 H new ATOM 0 HG13 ILE A 4 8.644 -14.204 -0.380 1.00 34.23 H new ATOM 0 HG21 ILE A 4 8.200 -12.172 1.006 1.00 10.42 H new ATOM 0 HG22 ILE A 4 8.146 -10.557 0.260 1.00 10.42 H new ATOM 0 HG23 ILE A 4 6.785 -11.684 0.044 1.00 10.42 H new ATOM 0 HD11 ILE A 4 6.720 -15.190 -1.533 1.00 41.51 H new ATOM 0 HD12 ILE A 4 6.214 -13.768 -0.590 1.00 41.51 H new ATOM 0 HD13 ILE A 4 6.399 -13.645 -2.356 1.00 41.51 H new ATOM 68 N VAL A 5 9.592 -9.450 -2.673 1.00 44.21 N ATOM 69 CA VAL A 5 10.044 -8.051 -2.541 1.00 5.14 C ATOM 70 C VAL A 5 9.221 -7.147 -3.478 1.00 32.32 C ATOM 71 O VAL A 5 8.638 -6.143 -3.044 1.00 65.14 O ATOM 72 CB VAL A 5 11.578 -7.921 -2.867 1.00 52.14 C ATOM 73 CG1 VAL A 5 12.128 -6.515 -2.530 1.00 22.44 C ATOM 74 CG2 VAL A 5 12.383 -9.028 -2.150 1.00 21.41 C ATOM 0 H VAL A 5 10.287 -10.066 -3.095 1.00 44.21 H new ATOM 0 HA VAL A 5 9.891 -7.734 -1.509 1.00 5.14 H new ATOM 0 HB VAL A 5 11.697 -8.054 -3.942 1.00 52.14 H new ATOM 0 HG11 VAL A 5 13.190 -6.472 -2.771 1.00 22.44 H new ATOM 0 HG12 VAL A 5 11.593 -5.766 -3.113 1.00 22.44 H new ATOM 0 HG13 VAL A 5 11.989 -6.315 -1.468 1.00 22.44 H new ATOM 0 HG21 VAL A 5 13.441 -8.921 -2.388 1.00 21.41 H new ATOM 0 HG22 VAL A 5 12.243 -8.940 -1.073 1.00 21.41 H new ATOM 0 HG23 VAL A 5 12.034 -10.005 -2.483 1.00 21.41 H new ATOM 84 N GLU A 6 9.150 -7.554 -4.759 1.00 5.21 N ATOM 85 CA GLU A 6 8.367 -6.846 -5.784 1.00 52.20 C ATOM 86 C GLU A 6 6.854 -7.004 -5.535 1.00 64.42 C ATOM 87 O GLU A 6 6.084 -6.121 -5.897 1.00 51.31 O ATOM 88 CB GLU A 6 8.747 -7.333 -7.203 1.00 44.52 C ATOM 89 CG GLU A 6 8.105 -6.512 -8.339 1.00 3.51 C ATOM 90 CD GLU A 6 8.451 -7.040 -9.732 1.00 53.11 C ATOM 91 OE1 GLU A 6 9.410 -6.536 -10.361 1.00 13.23 O ATOM 92 OE2 GLU A 6 7.771 -7.979 -10.202 1.00 3.43 O ATOM 0 H GLU A 6 9.633 -8.381 -5.110 1.00 5.21 H new ATOM 0 HA GLU A 6 8.608 -5.785 -5.715 1.00 52.20 H new ATOM 0 HB2 GLU A 6 9.831 -7.297 -7.310 1.00 44.52 H new ATOM 0 HB3 GLU A 6 8.450 -8.376 -7.310 1.00 44.52 H new ATOM 0 HG2 GLU A 6 7.022 -6.516 -8.214 1.00 3.51 H new ATOM 0 HG3 GLU A 6 8.431 -5.475 -8.259 1.00 3.51 H new ATOM 99 N ALA A 7 6.446 -8.122 -4.903 1.00 15.30 N ATOM 100 CA ALA A 7 5.047 -8.335 -4.489 1.00 21.53 C ATOM 101 C ALA A 7 4.603 -7.223 -3.530 1.00 4.41 C ATOM 102 O ALA A 7 3.578 -6.582 -3.739 1.00 72.52 O ATOM 103 CB ALA A 7 4.880 -9.709 -3.835 1.00 11.12 C ATOM 0 H ALA A 7 7.070 -8.894 -4.668 1.00 15.30 H new ATOM 0 HA ALA A 7 4.414 -8.303 -5.376 1.00 21.53 H new ATOM 0 HB1 ALA A 7 3.841 -9.846 -3.537 1.00 11.12 H new ATOM 0 HB2 ALA A 7 5.159 -10.487 -4.546 1.00 11.12 H new ATOM 0 HB3 ALA A 7 5.521 -9.774 -2.956 1.00 11.12 H new ATOM 109 N ALA A 8 5.440 -6.965 -2.519 1.00 31.45 N ATOM 110 CA ALA A 8 5.217 -5.900 -1.533 1.00 21.25 C ATOM 111 C ALA A 8 5.168 -4.510 -2.196 1.00 60.05 C ATOM 112 O ALA A 8 4.374 -3.659 -1.799 1.00 63.34 O ATOM 113 CB ALA A 8 6.313 -5.960 -0.477 1.00 11.44 C ATOM 0 H ALA A 8 6.298 -7.493 -2.360 1.00 31.45 H new ATOM 0 HA ALA A 8 4.247 -6.059 -1.061 1.00 21.25 H new ATOM 0 HB1 ALA A 8 6.153 -5.172 0.258 1.00 11.44 H new ATOM 0 HB2 ALA A 8 6.287 -6.930 0.020 1.00 11.44 H new ATOM 0 HB3 ALA A 8 7.284 -5.821 -0.952 1.00 11.44 H new ATOM 119 N LYS A 9 6.023 -4.313 -3.210 1.00 44.03 N ATOM 120 CA LYS A 9 6.084 -3.066 -3.995 1.00 1.32 C ATOM 121 C LYS A 9 4.749 -2.794 -4.732 1.00 45.54 C ATOM 122 O LYS A 9 4.155 -1.717 -4.578 1.00 32.30 O ATOM 123 CB LYS A 9 7.270 -3.153 -4.991 1.00 53.13 C ATOM 124 CG LYS A 9 7.369 -1.982 -5.986 1.00 14.22 C ATOM 125 CD LYS A 9 8.577 -2.104 -6.941 1.00 72.43 C ATOM 126 CE LYS A 9 8.605 -0.969 -7.979 1.00 31.14 C ATOM 127 NZ LYS A 9 9.829 -1.012 -8.828 1.00 73.44 N ATOM 0 H LYS A 9 6.697 -5.017 -3.512 1.00 44.03 H new ATOM 0 HA LYS A 9 6.244 -2.227 -3.318 1.00 1.32 H new ATOM 0 HB2 LYS A 9 8.199 -3.208 -4.423 1.00 53.13 H new ATOM 0 HB3 LYS A 9 7.185 -4.083 -5.554 1.00 53.13 H new ATOM 0 HG2 LYS A 9 6.452 -1.932 -6.573 1.00 14.22 H new ATOM 0 HG3 LYS A 9 7.444 -1.046 -5.432 1.00 14.22 H new ATOM 0 HD2 LYS A 9 9.500 -2.089 -6.362 1.00 72.43 H new ATOM 0 HD3 LYS A 9 8.538 -3.065 -7.455 1.00 72.43 H new ATOM 0 HE2 LYS A 9 7.722 -1.038 -8.614 1.00 31.14 H new ATOM 0 HE3 LYS A 9 8.554 -0.009 -7.466 1.00 31.14 H new ATOM 0 HZ1 LYS A 9 9.805 -0.229 -9.512 1.00 73.44 H new ATOM 0 HZ2 LYS A 9 10.672 -0.920 -8.226 1.00 73.44 H new ATOM 0 HZ3 LYS A 9 9.866 -1.917 -9.339 1.00 73.44 H new ATOM 141 N GLN A 10 4.277 -3.808 -5.484 1.00 41.01 N ATOM 142 CA GLN A 10 3.012 -3.750 -6.250 1.00 73.13 C ATOM 143 C GLN A 10 1.817 -3.540 -5.308 1.00 12.15 C ATOM 144 O GLN A 10 0.869 -2.809 -5.622 1.00 22.03 O ATOM 145 CB GLN A 10 2.819 -5.064 -7.065 1.00 3.14 C ATOM 146 CG GLN A 10 3.885 -5.329 -8.145 1.00 2.15 C ATOM 147 CD GLN A 10 3.938 -4.237 -9.212 1.00 3.44 C ATOM 148 OE1 GLN A 10 4.685 -3.267 -9.090 1.00 14.23 O ATOM 149 NE2 GLN A 10 3.136 -4.382 -10.260 1.00 60.41 N ATOM 0 H GLN A 10 4.766 -4.698 -5.579 1.00 41.01 H new ATOM 0 HA GLN A 10 3.065 -2.906 -6.938 1.00 73.13 H new ATOM 0 HB2 GLN A 10 2.811 -5.905 -6.371 1.00 3.14 H new ATOM 0 HB3 GLN A 10 1.840 -5.036 -7.543 1.00 3.14 H new ATOM 0 HG2 GLN A 10 4.862 -5.413 -7.670 1.00 2.15 H new ATOM 0 HG3 GLN A 10 3.680 -6.287 -8.623 1.00 2.15 H new ATOM 0 HE21 GLN A 10 2.529 -5.199 -10.329 1.00 60.41 H new ATOM 0 HE22 GLN A 10 3.126 -3.676 -10.996 1.00 60.41 H new ATOM 158 N ALA A 11 1.915 -4.183 -4.139 1.00 53.31 N ATOM 159 CA ALA A 11 0.897 -4.144 -3.102 1.00 51.52 C ATOM 160 C ALA A 11 0.749 -2.739 -2.514 1.00 50.13 C ATOM 161 O ALA A 11 -0.366 -2.248 -2.377 1.00 3.25 O ATOM 162 CB ALA A 11 1.256 -5.152 -2.018 1.00 34.03 C ATOM 0 H ALA A 11 2.723 -4.754 -3.890 1.00 53.31 H new ATOM 0 HA ALA A 11 -0.065 -4.407 -3.541 1.00 51.52 H new ATOM 0 HB1 ALA A 11 0.498 -5.130 -1.235 1.00 34.03 H new ATOM 0 HB2 ALA A 11 1.302 -6.151 -2.451 1.00 34.03 H new ATOM 0 HB3 ALA A 11 2.226 -4.897 -1.591 1.00 34.03 H new ATOM 168 N ALA A 12 1.892 -2.102 -2.206 1.00 15.43 N ATOM 169 CA ALA A 12 1.931 -0.759 -1.602 1.00 3.31 C ATOM 170 C ALA A 12 1.208 0.281 -2.471 1.00 40.33 C ATOM 171 O ALA A 12 0.361 1.038 -1.983 1.00 71.03 O ATOM 172 CB ALA A 12 3.378 -0.329 -1.362 1.00 43.44 C ATOM 0 H ALA A 12 2.815 -2.504 -2.369 1.00 15.43 H new ATOM 0 HA ALA A 12 1.407 -0.813 -0.648 1.00 3.31 H new ATOM 0 HB1 ALA A 12 3.393 0.665 -0.915 1.00 43.44 H new ATOM 0 HB2 ALA A 12 3.861 -1.037 -0.688 1.00 43.44 H new ATOM 0 HB3 ALA A 12 3.914 -0.308 -2.311 1.00 43.44 H new ATOM 178 N ILE A 13 1.531 0.253 -3.774 1.00 13.44 N ATOM 179 CA ILE A 13 0.957 1.162 -4.777 1.00 43.51 C ATOM 180 C ILE A 13 -0.564 0.904 -4.925 1.00 43.55 C ATOM 181 O ILE A 13 -1.360 1.844 -5.008 1.00 32.20 O ATOM 182 CB ILE A 13 1.696 0.977 -6.159 1.00 10.34 C ATOM 183 CG1 ILE A 13 3.247 1.122 -5.984 1.00 61.04 C ATOM 184 CG2 ILE A 13 1.176 1.980 -7.211 1.00 33.13 C ATOM 185 CD1 ILE A 13 4.062 0.825 -7.237 1.00 4.31 C ATOM 0 H ILE A 13 2.204 -0.407 -4.163 1.00 13.44 H new ATOM 0 HA ILE A 13 1.097 2.191 -4.447 1.00 43.51 H new ATOM 0 HB ILE A 13 1.480 -0.030 -6.517 1.00 10.34 H new ATOM 0 HG12 ILE A 13 3.468 2.138 -5.656 1.00 61.04 H new ATOM 0 HG13 ILE A 13 3.573 0.452 -5.188 1.00 61.04 H new ATOM 0 HG21 ILE A 13 1.705 1.827 -8.152 1.00 33.13 H new ATOM 0 HG22 ILE A 13 0.108 1.825 -7.365 1.00 33.13 H new ATOM 0 HG23 ILE A 13 1.348 2.997 -6.860 1.00 33.13 H new ATOM 0 HD11 ILE A 13 5.123 0.951 -7.020 1.00 4.31 H new ATOM 0 HD12 ILE A 13 3.877 -0.200 -7.557 1.00 4.31 H new ATOM 0 HD13 ILE A 13 3.770 1.511 -8.032 1.00 4.31 H new ATOM 197 N ALA A 14 -0.943 -0.389 -4.897 1.00 11.04 N ATOM 198 CA ALA A 14 -2.347 -0.839 -5.037 1.00 11.44 C ATOM 199 C ALA A 14 -3.232 -0.425 -3.840 1.00 64.11 C ATOM 200 O ALA A 14 -4.436 -0.191 -4.000 1.00 50.43 O ATOM 201 CB ALA A 14 -2.388 -2.352 -5.215 1.00 45.32 C ATOM 0 H ALA A 14 -0.282 -1.156 -4.776 1.00 11.04 H new ATOM 0 HA ALA A 14 -2.755 -0.346 -5.919 1.00 11.44 H new ATOM 0 HB1 ALA A 14 -3.423 -2.678 -5.318 1.00 45.32 H new ATOM 0 HB2 ALA A 14 -1.830 -2.628 -6.110 1.00 45.32 H new ATOM 0 HB3 ALA A 14 -1.940 -2.833 -4.345 1.00 45.32 H new ATOM 207 N ILE A 15 -2.621 -0.361 -2.646 1.00 41.35 N ATOM 208 CA ILE A 15 -3.284 0.113 -1.415 1.00 14.12 C ATOM 209 C ILE A 15 -3.695 1.598 -1.572 1.00 42.53 C ATOM 210 O ILE A 15 -4.801 1.983 -1.191 1.00 33.32 O ATOM 211 CB ILE A 15 -2.339 -0.116 -0.163 1.00 5.14 C ATOM 212 CG1 ILE A 15 -2.196 -1.650 0.126 1.00 22.05 C ATOM 213 CG2 ILE A 15 -2.825 0.636 1.097 1.00 24.33 C ATOM 214 CD1 ILE A 15 -1.232 -2.006 1.247 1.00 1.52 C ATOM 0 H ILE A 15 -1.649 -0.637 -2.504 1.00 41.35 H new ATOM 0 HA ILE A 15 -4.194 -0.463 -1.245 1.00 14.12 H new ATOM 0 HB ILE A 15 -1.362 0.298 -0.413 1.00 5.14 H new ATOM 0 HG12 ILE A 15 -3.179 -2.051 0.372 1.00 22.05 H new ATOM 0 HG13 ILE A 15 -1.868 -2.147 -0.787 1.00 22.05 H new ATOM 0 HG21 ILE A 15 -2.140 0.443 1.923 1.00 24.33 H new ATOM 0 HG22 ILE A 15 -2.855 1.706 0.893 1.00 24.33 H new ATOM 0 HG23 ILE A 15 -3.823 0.290 1.365 1.00 24.33 H new ATOM 0 HD11 ILE A 15 -1.202 -3.089 1.371 1.00 1.52 H new ATOM 0 HD12 ILE A 15 -0.235 -1.641 0.999 1.00 1.52 H new ATOM 0 HD13 ILE A 15 -1.567 -1.544 2.176 1.00 1.52 H new ATOM 226 N PHE A 16 -2.808 2.399 -2.198 1.00 44.21 N ATOM 227 CA PHE A 16 -3.059 3.840 -2.461 1.00 4.45 C ATOM 228 C PHE A 16 -4.131 4.038 -3.556 1.00 73.21 C ATOM 229 O PHE A 16 -4.898 5.008 -3.519 1.00 34.42 O ATOM 230 CB PHE A 16 -1.749 4.555 -2.867 1.00 41.24 C ATOM 231 CG PHE A 16 -0.606 4.393 -1.865 1.00 61.53 C ATOM 232 CD1 PHE A 16 -0.831 4.482 -0.486 1.00 32.14 C ATOM 233 CD2 PHE A 16 0.693 4.149 -2.306 1.00 55.44 C ATOM 234 CE1 PHE A 16 0.213 4.345 0.411 1.00 61.20 C ATOM 235 CE2 PHE A 16 1.728 4.012 -1.409 1.00 25.01 C ATOM 236 CZ PHE A 16 1.488 4.102 -0.054 1.00 74.24 C ATOM 0 H PHE A 16 -1.902 2.073 -2.535 1.00 44.21 H new ATOM 0 HA PHE A 16 -3.434 4.281 -1.537 1.00 4.45 H new ATOM 0 HB2 PHE A 16 -1.425 4.172 -3.835 1.00 41.24 H new ATOM 0 HB3 PHE A 16 -1.954 5.618 -2.997 1.00 41.24 H new ATOM 0 HD1 PHE A 16 -1.831 4.660 -0.118 1.00 32.14 H new ATOM 0 HD2 PHE A 16 0.890 4.066 -3.365 1.00 55.44 H new ATOM 0 HE1 PHE A 16 0.030 4.428 1.472 1.00 61.20 H new ATOM 0 HE2 PHE A 16 2.731 3.833 -1.767 1.00 25.01 H new ATOM 0 HZ PHE A 16 2.302 3.982 0.646 1.00 74.24 H new ATOM 246 N GLN A 17 -4.147 3.105 -4.528 1.00 21.45 N ATOM 247 CA GLN A 17 -5.157 3.059 -5.612 1.00 22.31 C ATOM 248 C GLN A 17 -6.571 2.851 -5.040 1.00 72.44 C ATOM 249 O GLN A 17 -7.531 3.480 -5.499 1.00 21.11 O ATOM 250 CB GLN A 17 -4.814 1.929 -6.621 1.00 0.52 C ATOM 251 CG GLN A 17 -3.544 2.172 -7.458 1.00 5.11 C ATOM 252 CD GLN A 17 -3.161 0.983 -8.349 1.00 11.11 C ATOM 253 OE1 GLN A 17 -4.004 0.177 -8.740 1.00 21.13 O ATOM 254 NE2 GLN A 17 -1.894 0.892 -8.718 1.00 2.40 N ATOM 0 H GLN A 17 -3.457 2.356 -4.586 1.00 21.45 H new ATOM 0 HA GLN A 17 -5.138 4.016 -6.134 1.00 22.31 H new ATOM 0 HB2 GLN A 17 -4.697 0.995 -6.072 1.00 0.52 H new ATOM 0 HB3 GLN A 17 -5.658 1.797 -7.298 1.00 0.52 H new ATOM 0 HG2 GLN A 17 -3.694 3.051 -8.084 1.00 5.11 H new ATOM 0 HG3 GLN A 17 -2.714 2.396 -6.788 1.00 5.11 H new ATOM 0 HE21 GLN A 17 -1.214 1.573 -8.380 1.00 2.40 H new ATOM 0 HE22 GLN A 17 -1.597 0.141 -9.341 1.00 2.40 H new ATOM 263 N LEU A 18 -6.674 1.968 -4.029 1.00 14.14 N ATOM 264 CA LEU A 18 -7.934 1.722 -3.311 1.00 12.44 C ATOM 265 C LEU A 18 -8.277 2.905 -2.382 1.00 75.34 C ATOM 266 O LEU A 18 -9.431 3.278 -2.269 1.00 70.15 O ATOM 267 CB LEU A 18 -7.884 0.392 -2.509 1.00 71.15 C ATOM 268 CG LEU A 18 -7.776 -0.924 -3.349 1.00 21.33 C ATOM 269 CD1 LEU A 18 -7.765 -2.168 -2.435 1.00 35.34 C ATOM 270 CD2 LEU A 18 -8.905 -1.025 -4.403 1.00 2.35 C ATOM 0 H LEU A 18 -5.891 1.410 -3.690 1.00 14.14 H new ATOM 0 HA LEU A 18 -8.723 1.629 -4.057 1.00 12.44 H new ATOM 0 HB2 LEU A 18 -7.033 0.435 -1.830 1.00 71.15 H new ATOM 0 HB3 LEU A 18 -8.781 0.331 -1.892 1.00 71.15 H new ATOM 0 HG LEU A 18 -6.828 -0.888 -3.886 1.00 21.33 H new ATOM 0 HD11 LEU A 18 -7.689 -3.068 -3.046 1.00 35.34 H new ATOM 0 HD12 LEU A 18 -6.911 -2.115 -1.759 1.00 35.34 H new ATOM 0 HD13 LEU A 18 -8.687 -2.201 -1.854 1.00 35.34 H new ATOM 0 HD21 LEU A 18 -8.796 -1.952 -4.966 1.00 2.35 H new ATOM 0 HD22 LEU A 18 -9.873 -1.017 -3.901 1.00 2.35 H new ATOM 0 HD23 LEU A 18 -8.843 -0.177 -5.085 1.00 2.35 H new ATOM 282 N TRP A 19 -7.257 3.507 -1.748 1.00 64.11 N ATOM 283 CA TRP A 19 -7.447 4.639 -0.803 1.00 45.53 C ATOM 284 C TRP A 19 -8.048 5.889 -1.491 1.00 31.44 C ATOM 285 O TRP A 19 -8.809 6.643 -0.864 1.00 73.34 O ATOM 286 CB TRP A 19 -6.116 4.974 -0.078 1.00 32.42 C ATOM 287 CG TRP A 19 -5.763 4.080 1.092 1.00 70.33 C ATOM 288 CD1 TRP A 19 -6.462 3.001 1.573 1.00 41.14 C ATOM 289 CD2 TRP A 19 -4.627 4.233 1.954 1.00 61.54 C ATOM 290 NE1 TRP A 19 -5.816 2.473 2.663 1.00 73.40 N ATOM 291 CE2 TRP A 19 -4.689 3.210 2.916 1.00 21.10 C ATOM 292 CE3 TRP A 19 -3.552 5.134 1.996 1.00 12.03 C ATOM 293 CZ2 TRP A 19 -3.731 3.071 3.916 1.00 41.11 C ATOM 294 CZ3 TRP A 19 -2.602 4.993 2.989 1.00 15.52 C ATOM 295 CH2 TRP A 19 -2.696 3.964 3.933 1.00 14.31 C ATOM 0 H TRP A 19 -6.282 3.232 -1.869 1.00 64.11 H new ATOM 0 HA TRP A 19 -8.174 4.320 -0.056 1.00 45.53 H new ATOM 0 HB2 TRP A 19 -5.306 4.927 -0.805 1.00 32.42 H new ATOM 0 HB3 TRP A 19 -6.166 6.003 0.277 1.00 32.42 H new ATOM 0 HD1 TRP A 19 -7.384 2.623 1.156 1.00 41.14 H new ATOM 0 HE1 TRP A 19 -6.125 1.662 3.199 1.00 73.40 H new ATOM 0 HE3 TRP A 19 -3.469 5.924 1.265 1.00 12.03 H new ATOM 0 HZ2 TRP A 19 -3.803 2.285 4.653 1.00 41.11 H new ATOM 0 HZ3 TRP A 19 -1.775 5.686 3.038 1.00 15.52 H new ATOM 0 HH2 TRP A 19 -1.933 3.873 4.692 1.00 14.31 H new ATOM 306 N LYS A 20 -7.706 6.097 -2.772 1.00 54.24 N ATOM 307 CA LYS A 20 -8.282 7.194 -3.577 1.00 64.44 C ATOM 308 C LYS A 20 -9.574 6.740 -4.301 1.00 32.44 C ATOM 309 O LYS A 20 -10.408 7.573 -4.663 1.00 62.03 O ATOM 310 CB LYS A 20 -7.240 7.717 -4.608 1.00 21.51 C ATOM 311 CG LYS A 20 -6.856 6.706 -5.710 1.00 73.24 C ATOM 312 CD LYS A 20 -5.884 7.297 -6.753 1.00 71.32 C ATOM 313 CE LYS A 20 -5.556 6.315 -7.887 1.00 1.12 C ATOM 314 NZ LYS A 20 -4.599 6.905 -8.868 1.00 73.41 N ATOM 0 H LYS A 20 -7.032 5.521 -3.276 1.00 54.24 H new ATOM 0 HA LYS A 20 -8.543 8.006 -2.898 1.00 64.44 H new ATOM 0 HB2 LYS A 20 -7.637 8.615 -5.081 1.00 21.51 H new ATOM 0 HB3 LYS A 20 -6.337 8.011 -4.073 1.00 21.51 H new ATOM 0 HG2 LYS A 20 -6.399 5.830 -5.250 1.00 73.24 H new ATOM 0 HG3 LYS A 20 -7.760 6.365 -6.215 1.00 73.24 H new ATOM 0 HD2 LYS A 20 -6.320 8.202 -7.177 1.00 71.32 H new ATOM 0 HD3 LYS A 20 -4.960 7.591 -6.255 1.00 71.32 H new ATOM 0 HE2 LYS A 20 -5.131 5.403 -7.467 1.00 1.12 H new ATOM 0 HE3 LYS A 20 -6.475 6.032 -8.400 1.00 1.12 H new ATOM 0 HZ1 LYS A 20 -4.401 6.213 -9.619 1.00 73.41 H new ATOM 0 HZ2 LYS A 20 -5.015 7.761 -9.287 1.00 73.41 H new ATOM 0 HZ3 LYS A 20 -3.713 7.152 -8.383 1.00 73.41 H new ATOM 328 N ASN A 21 -9.720 5.413 -4.516 1.00 74.43 N ATOM 329 CA ASN A 21 -10.837 4.831 -5.285 1.00 11.54 C ATOM 330 C ASN A 21 -11.013 3.342 -4.884 1.00 13.30 C ATOM 331 O ASN A 21 -10.403 2.453 -5.499 1.00 71.04 O ATOM 332 CB ASN A 21 -10.567 4.990 -6.810 1.00 30.13 C ATOM 333 CG ASN A 21 -11.695 4.464 -7.701 1.00 21.35 C ATOM 334 OD1 ASN A 21 -11.620 3.199 -8.084 1.00 73.34 O flip ATOM 335 ND2 ASN A 21 -12.621 5.194 -8.043 1.00 1.04 N flip ATOM 0 H ASN A 21 -9.065 4.717 -4.160 1.00 74.43 H new ATOM 0 HA ASN A 21 -11.765 5.357 -5.058 1.00 11.54 H new ATOM 0 HB2 ASN A 21 -10.405 6.045 -7.032 1.00 30.13 H new ATOM 0 HB3 ASN A 21 -9.645 4.466 -7.062 1.00 30.13 H new ATOM 0 HD21 ASN A 21 -12.648 6.164 -7.730 1.00 1.04 H new ATOM 0 HD22 ASN A 21 -13.363 4.830 -8.640 1.00 1.04 H new ATOM 342 N PRO A 22 -11.833 3.050 -3.816 1.00 25.45 N ATOM 343 CA PRO A 22 -11.976 1.677 -3.241 1.00 73.35 C ATOM 344 C PRO A 22 -12.502 0.625 -4.235 1.00 23.02 C ATOM 345 O PRO A 22 -12.287 -0.581 -4.045 1.00 11.23 O ATOM 346 CB PRO A 22 -12.969 1.875 -2.060 1.00 24.20 C ATOM 347 CG PRO A 22 -13.671 3.161 -2.352 1.00 34.22 C ATOM 348 CD PRO A 22 -12.652 4.028 -3.052 1.00 35.42 C ATOM 0 HA PRO A 22 -11.006 1.279 -2.944 1.00 73.35 H new ATOM 0 HB2 PRO A 22 -13.675 1.047 -1.995 1.00 24.20 H new ATOM 0 HB3 PRO A 22 -12.443 1.921 -1.106 1.00 24.20 H new ATOM 0 HG2 PRO A 22 -14.545 2.996 -2.982 1.00 34.22 H new ATOM 0 HG3 PRO A 22 -14.023 3.633 -1.435 1.00 34.22 H new ATOM 0 HD2 PRO A 22 -13.128 4.755 -3.710 1.00 35.42 H new ATOM 0 HD3 PRO A 22 -12.047 4.590 -2.341 1.00 35.42 H new ATOM 356 N THR A 23 -13.193 1.090 -5.287 1.00 24.31 N ATOM 357 CA THR A 23 -13.874 0.222 -6.262 1.00 10.11 C ATOM 358 C THR A 23 -12.957 -0.197 -7.429 1.00 34.31 C ATOM 359 O THR A 23 -13.444 -0.756 -8.417 1.00 52.15 O ATOM 360 CB THR A 23 -15.144 0.955 -6.797 1.00 1.10 C ATOM 361 OG1 THR A 23 -14.761 2.215 -7.377 1.00 4.42 O ATOM 362 CG2 THR A 23 -16.182 1.193 -5.672 1.00 32.25 C ATOM 0 H THR A 23 -13.296 2.085 -5.487 1.00 24.31 H new ATOM 0 HA THR A 23 -14.158 -0.698 -5.751 1.00 10.11 H new ATOM 0 HB THR A 23 -15.608 0.321 -7.552 1.00 1.10 H new ATOM 0 HG1 THR A 23 -15.558 2.675 -7.715 1.00 4.42 H new ATOM 0 HG21 THR A 23 -17.052 1.705 -6.082 1.00 32.25 H new ATOM 0 HG22 THR A 23 -16.489 0.235 -5.252 1.00 32.25 H new ATOM 0 HG23 THR A 23 -15.736 1.806 -4.889 1.00 32.25 H new ATOM 370 N ASP A 24 -11.639 0.062 -7.310 1.00 55.24 N ATOM 371 CA ASP A 24 -10.664 -0.317 -8.351 1.00 1.32 C ATOM 372 C ASP A 24 -10.468 -1.855 -8.347 1.00 61.22 C ATOM 373 O ASP A 24 -9.951 -2.395 -7.360 1.00 13.52 O ATOM 374 CB ASP A 24 -9.304 0.401 -8.137 1.00 14.13 C ATOM 375 CG ASP A 24 -8.356 0.220 -9.342 1.00 72.21 C ATOM 376 OD1 ASP A 24 -8.304 1.116 -10.212 1.00 52.51 O ATOM 377 OD2 ASP A 24 -7.687 -0.830 -9.445 1.00 35.45 O ATOM 0 H ASP A 24 -11.226 0.532 -6.504 1.00 55.24 H new ATOM 0 HA ASP A 24 -11.055 -0.005 -9.319 1.00 1.32 H new ATOM 0 HB2 ASP A 24 -9.478 1.464 -7.970 1.00 14.13 H new ATOM 0 HB3 ASP A 24 -8.826 0.011 -7.238 1.00 14.13 H new ATOM 382 N PRO A 25 -10.875 -2.584 -9.436 1.00 41.31 N ATOM 383 CA PRO A 25 -10.838 -4.066 -9.463 1.00 73.33 C ATOM 384 C PRO A 25 -9.408 -4.641 -9.510 1.00 20.22 C ATOM 385 O PRO A 25 -9.154 -5.708 -8.949 1.00 35.43 O ATOM 386 CB PRO A 25 -11.628 -4.420 -10.749 1.00 4.24 C ATOM 387 CG PRO A 25 -11.435 -3.239 -11.645 1.00 12.53 C ATOM 388 CD PRO A 25 -11.425 -2.036 -10.720 1.00 70.40 C ATOM 0 HA PRO A 25 -11.262 -4.496 -8.555 1.00 73.33 H new ATOM 0 HB2 PRO A 25 -11.249 -5.333 -11.209 1.00 4.24 H new ATOM 0 HB3 PRO A 25 -12.683 -4.586 -10.533 1.00 4.24 H new ATOM 0 HG2 PRO A 25 -10.501 -3.315 -12.202 1.00 12.53 H new ATOM 0 HG3 PRO A 25 -12.238 -3.165 -12.378 1.00 12.53 H new ATOM 0 HD2 PRO A 25 -10.801 -1.233 -11.113 1.00 70.40 H new ATOM 0 HD3 PRO A 25 -12.426 -1.626 -10.585 1.00 70.40 H new ATOM 396 N GLU A 26 -8.487 -3.917 -10.165 1.00 51.50 N ATOM 397 CA GLU A 26 -7.127 -4.412 -10.457 1.00 44.23 C ATOM 398 C GLU A 26 -6.242 -4.384 -9.207 1.00 15.51 C ATOM 399 O GLU A 26 -5.467 -5.319 -8.957 1.00 35.02 O ATOM 400 CB GLU A 26 -6.485 -3.569 -11.590 1.00 64.14 C ATOM 401 CG GLU A 26 -7.306 -3.552 -12.894 1.00 1.53 C ATOM 402 CD GLU A 26 -6.609 -2.799 -14.037 1.00 65.35 C ATOM 403 OE1 GLU A 26 -6.604 -1.553 -14.020 1.00 61.33 O ATOM 404 OE2 GLU A 26 -6.073 -3.442 -14.962 1.00 35.54 O ATOM 0 H GLU A 26 -8.661 -2.972 -10.508 1.00 51.50 H new ATOM 0 HA GLU A 26 -7.208 -5.448 -10.785 1.00 44.23 H new ATOM 0 HB2 GLU A 26 -6.356 -2.545 -11.240 1.00 64.14 H new ATOM 0 HB3 GLU A 26 -5.490 -3.961 -11.803 1.00 64.14 H new ATOM 0 HG2 GLU A 26 -7.499 -4.578 -13.208 1.00 1.53 H new ATOM 0 HG3 GLU A 26 -8.274 -3.090 -12.700 1.00 1.53 H new ATOM 411 N ALA A 27 -6.387 -3.310 -8.425 1.00 44.22 N ATOM 412 CA ALA A 27 -5.596 -3.072 -7.215 1.00 64.15 C ATOM 413 C ALA A 27 -5.865 -4.155 -6.160 1.00 71.23 C ATOM 414 O ALA A 27 -4.933 -4.784 -5.650 1.00 22.45 O ATOM 415 CB ALA A 27 -5.924 -1.685 -6.654 1.00 2.32 C ATOM 0 H ALA A 27 -7.065 -2.573 -8.617 1.00 44.22 H new ATOM 0 HA ALA A 27 -4.538 -3.115 -7.474 1.00 64.15 H new ATOM 0 HB1 ALA A 27 -5.335 -1.508 -5.754 1.00 2.32 H new ATOM 0 HB2 ALA A 27 -5.685 -0.926 -7.399 1.00 2.32 H new ATOM 0 HB3 ALA A 27 -6.985 -1.633 -6.410 1.00 2.32 H new ATOM 421 N GLN A 28 -7.157 -4.382 -5.881 1.00 71.32 N ATOM 422 CA GLN A 28 -7.594 -5.378 -4.889 1.00 52.24 C ATOM 423 C GLN A 28 -7.343 -6.827 -5.377 1.00 70.04 C ATOM 424 O GLN A 28 -7.144 -7.726 -4.564 1.00 11.31 O ATOM 425 CB GLN A 28 -9.086 -5.153 -4.525 1.00 64.13 C ATOM 426 CG GLN A 28 -10.072 -5.300 -5.693 1.00 21.21 C ATOM 427 CD GLN A 28 -11.509 -4.939 -5.315 1.00 25.00 C ATOM 428 OE1 GLN A 28 -12.282 -5.792 -4.884 1.00 51.24 O ATOM 429 NE2 GLN A 28 -11.868 -3.669 -5.454 1.00 63.01 N ATOM 0 H GLN A 28 -7.924 -3.885 -6.333 1.00 71.32 H new ATOM 0 HA GLN A 28 -6.994 -5.242 -3.989 1.00 52.24 H new ATOM 0 HB2 GLN A 28 -9.364 -5.861 -3.744 1.00 64.13 H new ATOM 0 HB3 GLN A 28 -9.194 -4.154 -4.103 1.00 64.13 H new ATOM 0 HG2 GLN A 28 -9.748 -4.663 -6.516 1.00 21.21 H new ATOM 0 HG3 GLN A 28 -10.045 -6.328 -6.056 1.00 21.21 H new ATOM 0 HE21 GLN A 28 -11.201 -2.987 -5.815 1.00 63.01 H new ATOM 0 HE22 GLN A 28 -12.811 -3.375 -5.200 1.00 63.01 H new ATOM 438 N GLU A 29 -7.312 -7.027 -6.710 1.00 32.01 N ATOM 439 CA GLU A 29 -7.120 -8.367 -7.320 1.00 33.55 C ATOM 440 C GLU A 29 -5.686 -8.879 -7.105 1.00 74.53 C ATOM 441 O GLU A 29 -5.489 -10.051 -6.763 1.00 22.44 O ATOM 442 CB GLU A 29 -7.466 -8.338 -8.833 1.00 33.41 C ATOM 443 CG GLU A 29 -7.409 -9.710 -9.530 1.00 21.21 C ATOM 444 CD GLU A 29 -7.746 -9.634 -11.021 1.00 21.44 C ATOM 445 OE1 GLU A 29 -8.919 -9.872 -11.395 1.00 24.12 O ATOM 446 OE2 GLU A 29 -6.844 -9.318 -11.823 1.00 2.42 O ATOM 0 H GLU A 29 -7.418 -6.276 -7.392 1.00 32.01 H new ATOM 0 HA GLU A 29 -7.801 -9.057 -6.822 1.00 33.55 H new ATOM 0 HB2 GLU A 29 -8.467 -7.924 -8.956 1.00 33.41 H new ATOM 0 HB3 GLU A 29 -6.777 -7.660 -9.337 1.00 33.41 H new ATOM 0 HG2 GLU A 29 -6.411 -10.132 -9.409 1.00 21.21 H new ATOM 0 HG3 GLU A 29 -8.105 -10.391 -9.039 1.00 21.21 H new ATOM 453 N LEU A 30 -4.686 -7.997 -7.289 1.00 4.54 N ATOM 454 CA LEU A 30 -3.277 -8.366 -7.063 1.00 4.52 C ATOM 455 C LEU A 30 -3.023 -8.536 -5.550 1.00 12.32 C ATOM 456 O LEU A 30 -2.289 -9.434 -5.144 1.00 44.24 O ATOM 457 CB LEU A 30 -2.299 -7.350 -7.750 1.00 25.21 C ATOM 458 CG LEU A 30 -2.258 -5.864 -7.217 1.00 65.32 C ATOM 459 CD1 LEU A 30 -1.274 -5.698 -6.036 1.00 22.32 C ATOM 460 CD2 LEU A 30 -1.926 -4.855 -8.345 1.00 72.13 C ATOM 0 H LEU A 30 -4.826 -7.033 -7.591 1.00 4.54 H new ATOM 0 HA LEU A 30 -3.072 -9.326 -7.537 1.00 4.52 H new ATOM 0 HB2 LEU A 30 -1.291 -7.757 -7.674 1.00 25.21 H new ATOM 0 HB3 LEU A 30 -2.549 -7.315 -8.810 1.00 25.21 H new ATOM 0 HG LEU A 30 -3.260 -5.642 -6.850 1.00 65.32 H new ATOM 0 HD11 LEU A 30 -1.278 -4.661 -5.702 1.00 22.32 H new ATOM 0 HD12 LEU A 30 -1.580 -6.345 -5.214 1.00 22.32 H new ATOM 0 HD13 LEU A 30 -0.269 -5.971 -6.358 1.00 22.32 H new ATOM 0 HD21 LEU A 30 -1.908 -3.845 -7.936 1.00 72.13 H new ATOM 0 HD22 LEU A 30 -0.951 -5.092 -8.770 1.00 72.13 H new ATOM 0 HD23 LEU A 30 -2.686 -4.917 -9.124 1.00 72.13 H new ATOM 472 N LEU A 31 -3.704 -7.693 -4.735 1.00 3.22 N ATOM 473 CA LEU A 31 -3.684 -7.783 -3.249 1.00 55.44 C ATOM 474 C LEU A 31 -4.306 -9.101 -2.738 1.00 32.12 C ATOM 475 O LEU A 31 -4.044 -9.516 -1.619 1.00 31.12 O ATOM 476 CB LEU A 31 -4.431 -6.571 -2.609 1.00 51.13 C ATOM 477 CG LEU A 31 -3.704 -5.195 -2.674 1.00 74.51 C ATOM 478 CD1 LEU A 31 -4.593 -4.062 -2.122 1.00 21.41 C ATOM 479 CD2 LEU A 31 -2.361 -5.250 -1.923 1.00 51.20 C ATOM 0 H LEU A 31 -4.283 -6.931 -5.087 1.00 3.22 H new ATOM 0 HA LEU A 31 -2.637 -7.764 -2.948 1.00 55.44 H new ATOM 0 HB2 LEU A 31 -5.399 -6.469 -3.099 1.00 51.13 H new ATOM 0 HB3 LEU A 31 -4.627 -6.805 -1.562 1.00 51.13 H new ATOM 0 HG LEU A 31 -3.502 -4.977 -3.723 1.00 74.51 H new ATOM 0 HD11 LEU A 31 -4.055 -3.116 -2.182 1.00 21.41 H new ATOM 0 HD12 LEU A 31 -5.508 -3.998 -2.711 1.00 21.41 H new ATOM 0 HD13 LEU A 31 -4.845 -4.271 -1.082 1.00 21.41 H new ATOM 0 HD21 LEU A 31 -1.871 -4.278 -1.982 1.00 51.20 H new ATOM 0 HD22 LEU A 31 -2.539 -5.504 -0.878 1.00 51.20 H new ATOM 0 HD23 LEU A 31 -1.721 -6.007 -2.377 1.00 51.20 H new ATOM 491 N ASN A 32 -5.152 -9.726 -3.562 1.00 45.54 N ATOM 492 CA ASN A 32 -5.773 -11.028 -3.250 1.00 1.41 C ATOM 493 C ASN A 32 -4.749 -12.169 -3.371 1.00 0.53 C ATOM 494 O ASN A 32 -4.834 -13.178 -2.665 1.00 32.11 O ATOM 495 CB ASN A 32 -6.976 -11.279 -4.200 1.00 13.15 C ATOM 496 CG ASN A 32 -7.809 -12.504 -3.812 1.00 42.12 C ATOM 497 OD1 ASN A 32 -8.811 -12.303 -2.974 1.00 60.10 O flip ATOM 498 ND2 ASN A 32 -7.545 -13.623 -4.250 1.00 3.25 N flip ATOM 0 H ASN A 32 -5.430 -9.347 -4.467 1.00 45.54 H new ATOM 0 HA ASN A 32 -6.129 -11.004 -2.220 1.00 1.41 H new ATOM 0 HB2 ASN A 32 -7.618 -10.398 -4.203 1.00 13.15 H new ATOM 0 HB3 ASN A 32 -6.606 -11.407 -5.217 1.00 13.15 H new ATOM 0 HD21 ASN A 32 -6.765 -13.747 -4.896 1.00 3.25 H new ATOM 0 HD22 ASN A 32 -8.106 -14.427 -3.968 1.00 3.25 H new ATOM 505 N LYS A 33 -3.781 -11.977 -4.278 1.00 45.23 N ATOM 506 CA LYS A 33 -2.804 -13.009 -4.651 1.00 23.44 C ATOM 507 C LYS A 33 -1.579 -12.988 -3.723 1.00 43.24 C ATOM 508 O LYS A 33 -1.128 -14.034 -3.244 1.00 42.34 O ATOM 509 CB LYS A 33 -2.346 -12.765 -6.119 1.00 21.33 C ATOM 510 CG LYS A 33 -3.505 -12.683 -7.132 1.00 15.11 C ATOM 511 CD LYS A 33 -3.030 -12.386 -8.568 1.00 73.23 C ATOM 512 CE LYS A 33 -2.150 -13.498 -9.169 1.00 64.12 C ATOM 513 NZ LYS A 33 -2.868 -14.799 -9.275 1.00 0.11 N ATOM 0 H LYS A 33 -3.653 -11.096 -4.776 1.00 45.23 H new ATOM 0 HA LYS A 33 -3.280 -13.985 -4.556 1.00 23.44 H new ATOM 0 HB2 LYS A 33 -1.774 -11.838 -6.161 1.00 21.33 H new ATOM 0 HB3 LYS A 33 -1.673 -13.569 -6.417 1.00 21.33 H new ATOM 0 HG2 LYS A 33 -4.054 -13.624 -7.124 1.00 15.11 H new ATOM 0 HG3 LYS A 33 -4.201 -11.905 -6.817 1.00 15.11 H new ATOM 0 HD2 LYS A 33 -3.901 -12.238 -9.207 1.00 73.23 H new ATOM 0 HD3 LYS A 33 -2.471 -11.450 -8.571 1.00 73.23 H new ATOM 0 HE2 LYS A 33 -1.810 -13.193 -10.159 1.00 64.12 H new ATOM 0 HE3 LYS A 33 -1.261 -13.627 -8.552 1.00 64.12 H new ATOM 0 HZ1 LYS A 33 -2.270 -15.486 -9.777 1.00 0.11 H new ATOM 0 HZ2 LYS A 33 -3.081 -15.157 -8.322 1.00 0.11 H new ATOM 0 HZ3 LYS A 33 -3.755 -14.664 -9.800 1.00 0.11 H new ATOM 527 N ILE A 34 -1.049 -11.783 -3.474 1.00 63.34 N ATOM 528 CA ILE A 34 0.260 -11.603 -2.798 1.00 73.24 C ATOM 529 C ILE A 34 0.083 -11.215 -1.320 1.00 14.44 C ATOM 530 O ILE A 34 0.950 -11.498 -0.483 1.00 33.43 O ATOM 531 CB ILE A 34 1.114 -10.527 -3.561 1.00 41.32 C ATOM 532 CG1 ILE A 34 0.385 -9.143 -3.570 1.00 24.43 C ATOM 533 CG2 ILE A 34 1.422 -11.010 -5.001 1.00 72.04 C ATOM 534 CD1 ILE A 34 0.971 -8.095 -4.498 1.00 13.11 C ATOM 0 H ILE A 34 -1.505 -10.907 -3.730 1.00 63.34 H new ATOM 0 HA ILE A 34 0.790 -12.555 -2.821 1.00 73.24 H new ATOM 0 HB ILE A 34 2.061 -10.397 -3.036 1.00 41.32 H new ATOM 0 HG12 ILE A 34 -0.657 -9.304 -3.846 1.00 24.43 H new ATOM 0 HG13 ILE A 34 0.388 -8.745 -2.555 1.00 24.43 H new ATOM 0 HG21 ILE A 34 2.014 -10.256 -5.519 1.00 72.04 H new ATOM 0 HG22 ILE A 34 1.981 -11.945 -4.959 1.00 72.04 H new ATOM 0 HG23 ILE A 34 0.488 -11.170 -5.539 1.00 72.04 H new ATOM 0 HD11 ILE A 34 0.388 -7.177 -4.424 1.00 13.11 H new ATOM 0 HD12 ILE A 34 2.004 -7.893 -4.213 1.00 13.11 H new ATOM 0 HD13 ILE A 34 0.942 -8.461 -5.524 1.00 13.11 H new ATOM 546 N LEU A 35 -1.033 -10.537 -1.032 1.00 53.45 N ATOM 547 CA LEU A 35 -1.459 -10.176 0.332 1.00 41.20 C ATOM 548 C LEU A 35 -2.680 -11.021 0.725 1.00 31.30 C ATOM 549 O LEU A 35 -3.074 -11.943 -0.002 1.00 24.02 O ATOM 550 CB LEU A 35 -1.759 -8.638 0.426 1.00 0.24 C ATOM 551 CG LEU A 35 -0.595 -7.724 0.947 1.00 22.43 C ATOM 552 CD1 LEU A 35 -0.343 -7.938 2.463 1.00 42.42 C ATOM 553 CD2 LEU A 35 0.710 -7.932 0.137 1.00 11.31 C ATOM 0 H LEU A 35 -1.681 -10.216 -1.752 1.00 53.45 H new ATOM 0 HA LEU A 35 -0.654 -10.389 1.036 1.00 41.20 H new ATOM 0 HB2 LEU A 35 -2.050 -8.287 -0.564 1.00 0.24 H new ATOM 0 HB3 LEU A 35 -2.620 -8.499 1.080 1.00 0.24 H new ATOM 0 HG LEU A 35 -0.912 -6.692 0.799 1.00 22.43 H new ATOM 0 HD11 LEU A 35 0.469 -7.290 2.792 1.00 42.42 H new ATOM 0 HD12 LEU A 35 -1.248 -7.696 3.020 1.00 42.42 H new ATOM 0 HD13 LEU A 35 -0.073 -8.978 2.644 1.00 42.42 H new ATOM 0 HD21 LEU A 35 1.490 -7.280 0.530 1.00 11.31 H new ATOM 0 HD22 LEU A 35 1.029 -8.971 0.221 1.00 11.31 H new ATOM 0 HD23 LEU A 35 0.530 -7.691 -0.911 1.00 11.31 H new ATOM 565 N SER A 36 -3.256 -10.717 1.888 1.00 72.42 N ATOM 566 CA SER A 36 -4.477 -11.371 2.367 1.00 3.44 C ATOM 567 C SER A 36 -5.727 -10.807 1.653 1.00 21.42 C ATOM 568 O SER A 36 -5.759 -9.619 1.300 1.00 21.35 O ATOM 569 CB SER A 36 -4.626 -11.156 3.882 1.00 51.14 C ATOM 570 OG SER A 36 -3.464 -11.540 4.580 1.00 13.05 O ATOM 0 H SER A 36 -2.890 -10.010 2.526 1.00 72.42 H new ATOM 0 HA SER A 36 -4.396 -12.435 2.147 1.00 3.44 H new ATOM 0 HB2 SER A 36 -4.840 -10.106 4.081 1.00 51.14 H new ATOM 0 HB3 SER A 36 -5.477 -11.730 4.249 1.00 51.14 H new ATOM 0 HG SER A 36 -3.156 -10.795 5.137 1.00 13.05 H new ATOM 576 N PRO A 37 -6.795 -11.644 1.461 1.00 21.04 N ATOM 577 CA PRO A 37 -8.147 -11.143 1.080 1.00 73.11 C ATOM 578 C PRO A 37 -8.727 -10.185 2.148 1.00 53.22 C ATOM 579 O PRO A 37 -9.549 -9.310 1.856 1.00 61.33 O ATOM 580 CB PRO A 37 -8.988 -12.440 0.940 1.00 35.30 C ATOM 581 CG PRO A 37 -7.975 -13.528 0.722 1.00 61.03 C ATOM 582 CD PRO A 37 -6.771 -13.130 1.542 1.00 44.52 C ATOM 0 HA PRO A 37 -8.136 -10.552 0.164 1.00 73.11 H new ATOM 0 HB2 PRO A 37 -9.582 -12.625 1.835 1.00 35.30 H new ATOM 0 HB3 PRO A 37 -9.684 -12.373 0.104 1.00 35.30 H new ATOM 0 HG2 PRO A 37 -8.364 -14.495 1.040 1.00 61.03 H new ATOM 0 HG3 PRO A 37 -7.718 -13.619 -0.333 1.00 61.03 H new ATOM 0 HD2 PRO A 37 -6.849 -13.480 2.571 1.00 44.52 H new ATOM 0 HD3 PRO A 37 -5.849 -13.543 1.133 1.00 44.52 H new ATOM 590 N ASP A 38 -8.246 -10.383 3.384 1.00 42.43 N ATOM 591 CA ASP A 38 -8.542 -9.538 4.543 1.00 21.31 C ATOM 592 C ASP A 38 -7.996 -8.107 4.333 1.00 73.45 C ATOM 593 O ASP A 38 -8.679 -7.122 4.623 1.00 64.12 O ATOM 594 CB ASP A 38 -7.890 -10.150 5.817 1.00 24.12 C ATOM 595 CG ASP A 38 -8.140 -11.663 5.986 1.00 25.23 C ATOM 596 OD1 ASP A 38 -7.365 -12.468 5.413 1.00 53.14 O ATOM 597 OD2 ASP A 38 -9.098 -12.056 6.687 1.00 34.45 O ATOM 0 H ASP A 38 -7.623 -11.159 3.608 1.00 42.43 H new ATOM 0 HA ASP A 38 -9.624 -9.489 4.664 1.00 21.31 H new ATOM 0 HB2 ASP A 38 -6.815 -9.971 5.784 1.00 24.12 H new ATOM 0 HB3 ASP A 38 -8.273 -9.629 6.694 1.00 24.12 H new ATOM 602 N VAL A 39 -6.748 -8.024 3.812 1.00 21.43 N ATOM 603 CA VAL A 39 -6.027 -6.752 3.624 1.00 13.30 C ATOM 604 C VAL A 39 -6.742 -5.856 2.601 1.00 2.33 C ATOM 605 O VAL A 39 -7.065 -4.716 2.914 1.00 51.15 O ATOM 606 CB VAL A 39 -4.508 -6.987 3.233 1.00 65.52 C ATOM 607 CG1 VAL A 39 -3.805 -5.675 2.797 1.00 41.33 C ATOM 608 CG2 VAL A 39 -3.736 -7.635 4.413 1.00 52.54 C ATOM 0 H VAL A 39 -6.217 -8.841 3.511 1.00 21.43 H new ATOM 0 HA VAL A 39 -6.031 -6.230 4.581 1.00 13.30 H new ATOM 0 HB VAL A 39 -4.500 -7.665 2.380 1.00 65.52 H new ATOM 0 HG11 VAL A 39 -2.767 -5.887 2.539 1.00 41.33 H new ATOM 0 HG12 VAL A 39 -4.317 -5.259 1.929 1.00 41.33 H new ATOM 0 HG13 VAL A 39 -3.836 -4.956 3.616 1.00 41.33 H new ATOM 0 HG21 VAL A 39 -2.696 -7.789 4.126 1.00 52.54 H new ATOM 0 HG22 VAL A 39 -3.780 -6.977 5.281 1.00 52.54 H new ATOM 0 HG23 VAL A 39 -4.190 -8.595 4.661 1.00 52.54 H new ATOM 618 N LEU A 40 -7.035 -6.393 1.402 1.00 53.12 N ATOM 619 CA LEU A 40 -7.698 -5.606 0.332 1.00 21.34 C ATOM 620 C LEU A 40 -9.071 -5.068 0.792 1.00 12.33 C ATOM 621 O LEU A 40 -9.455 -3.943 0.456 1.00 60.51 O ATOM 622 CB LEU A 40 -7.818 -6.444 -0.972 1.00 32.44 C ATOM 623 CG LEU A 40 -8.765 -7.704 -0.941 1.00 61.41 C ATOM 624 CD1 LEU A 40 -10.226 -7.371 -1.337 1.00 24.32 C ATOM 625 CD2 LEU A 40 -8.225 -8.837 -1.813 1.00 2.32 C ATOM 0 H LEU A 40 -6.828 -7.358 1.146 1.00 53.12 H new ATOM 0 HA LEU A 40 -7.073 -4.739 0.116 1.00 21.34 H new ATOM 0 HB2 LEU A 40 -8.163 -5.783 -1.767 1.00 32.44 H new ATOM 0 HB3 LEU A 40 -6.819 -6.780 -1.249 1.00 32.44 H new ATOM 0 HG LEU A 40 -8.779 -8.039 0.096 1.00 61.41 H new ATOM 0 HD11 LEU A 40 -10.830 -8.278 -1.297 1.00 24.32 H new ATOM 0 HD12 LEU A 40 -10.632 -6.634 -0.644 1.00 24.32 H new ATOM 0 HD13 LEU A 40 -10.246 -6.967 -2.349 1.00 24.32 H new ATOM 0 HD21 LEU A 40 -8.905 -9.688 -1.766 1.00 2.32 H new ATOM 0 HD22 LEU A 40 -8.143 -8.495 -2.845 1.00 2.32 H new ATOM 0 HD23 LEU A 40 -7.242 -9.138 -1.451 1.00 2.32 H new ATOM 637 N ASP A 41 -9.769 -5.889 1.603 1.00 33.13 N ATOM 638 CA ASP A 41 -11.120 -5.602 2.105 1.00 74.23 C ATOM 639 C ASP A 41 -11.104 -4.467 3.148 1.00 71.53 C ATOM 640 O ASP A 41 -11.949 -3.561 3.102 1.00 25.03 O ATOM 641 CB ASP A 41 -11.740 -6.906 2.686 1.00 51.21 C ATOM 642 CG ASP A 41 -13.152 -6.721 3.276 1.00 12.00 C ATOM 643 OD1 ASP A 41 -13.368 -7.032 4.469 1.00 52.52 O ATOM 644 OD2 ASP A 41 -14.053 -6.247 2.554 1.00 42.13 O ATOM 0 H ASP A 41 -9.401 -6.782 1.930 1.00 33.13 H new ATOM 0 HA ASP A 41 -11.740 -5.256 1.278 1.00 74.23 H new ATOM 0 HB2 ASP A 41 -11.782 -7.658 1.898 1.00 51.21 H new ATOM 0 HB3 ASP A 41 -11.081 -7.295 3.463 1.00 51.21 H new ATOM 649 N GLN A 42 -10.131 -4.503 4.073 1.00 42.42 N ATOM 650 CA GLN A 42 -9.992 -3.461 5.111 1.00 64.00 C ATOM 651 C GLN A 42 -9.424 -2.156 4.511 1.00 5.51 C ATOM 652 O GLN A 42 -9.693 -1.073 5.026 1.00 42.41 O ATOM 653 CB GLN A 42 -9.104 -3.953 6.290 1.00 31.30 C ATOM 654 CG GLN A 42 -7.609 -4.141 5.946 1.00 55.11 C ATOM 655 CD GLN A 42 -6.724 -4.564 7.127 1.00 41.33 C ATOM 656 OE1 GLN A 42 -7.172 -5.229 8.058 1.00 34.40 O ATOM 657 NE2 GLN A 42 -5.454 -4.187 7.087 1.00 63.53 N ATOM 0 H GLN A 42 -9.428 -5.240 4.126 1.00 42.42 H new ATOM 0 HA GLN A 42 -10.987 -3.253 5.504 1.00 64.00 H new ATOM 0 HB2 GLN A 42 -9.186 -3.239 7.110 1.00 31.30 H new ATOM 0 HB3 GLN A 42 -9.500 -4.901 6.653 1.00 31.30 H new ATOM 0 HG2 GLN A 42 -7.523 -4.891 5.159 1.00 55.11 H new ATOM 0 HG3 GLN A 42 -7.224 -3.206 5.539 1.00 55.11 H new ATOM 0 HE21 GLN A 42 -5.110 -3.635 6.301 1.00 63.53 H new ATOM 0 HE22 GLN A 42 -4.820 -4.449 7.842 1.00 63.53 H new ATOM 666 N VAL A 43 -8.647 -2.286 3.420 1.00 20.24 N ATOM 667 CA VAL A 43 -8.058 -1.134 2.710 1.00 72.53 C ATOM 668 C VAL A 43 -9.144 -0.367 1.927 1.00 45.51 C ATOM 669 O VAL A 43 -9.165 0.862 1.962 1.00 32.04 O ATOM 670 CB VAL A 43 -6.856 -1.587 1.770 1.00 64.02 C ATOM 671 CG1 VAL A 43 -6.454 -0.499 0.750 1.00 0.32 C ATOM 672 CG2 VAL A 43 -5.622 -1.988 2.618 1.00 75.34 C ATOM 0 H VAL A 43 -8.410 -3.188 3.007 1.00 20.24 H new ATOM 0 HA VAL A 43 -7.640 -0.452 3.451 1.00 72.53 H new ATOM 0 HB VAL A 43 -7.212 -2.449 1.206 1.00 64.02 H new ATOM 0 HG11 VAL A 43 -5.630 -0.863 0.136 1.00 0.32 H new ATOM 0 HG12 VAL A 43 -7.306 -0.266 0.112 1.00 0.32 H new ATOM 0 HG13 VAL A 43 -6.141 0.400 1.281 1.00 0.32 H new ATOM 0 HG21 VAL A 43 -4.811 -2.295 1.958 1.00 75.34 H new ATOM 0 HG22 VAL A 43 -5.300 -1.136 3.217 1.00 75.34 H new ATOM 0 HG23 VAL A 43 -5.886 -2.815 3.276 1.00 75.34 H new ATOM 682 N ARG A 44 -10.072 -1.097 1.258 1.00 65.51 N ATOM 683 CA ARG A 44 -11.181 -0.461 0.500 1.00 71.34 C ATOM 684 C ARG A 44 -12.247 0.137 1.448 1.00 1.44 C ATOM 685 O ARG A 44 -13.011 1.022 1.053 1.00 61.45 O ATOM 686 CB ARG A 44 -11.788 -1.432 -0.579 1.00 72.23 C ATOM 687 CG ARG A 44 -12.425 -2.758 -0.088 1.00 60.55 C ATOM 688 CD ARG A 44 -13.866 -2.630 0.465 1.00 74.44 C ATOM 689 NE ARG A 44 -14.829 -2.101 -0.531 1.00 31.13 N ATOM 690 CZ ARG A 44 -16.173 -2.234 -0.471 1.00 13.34 C ATOM 691 NH1 ARG A 44 -16.762 -2.888 0.531 1.00 12.34 N ATOM 692 NH2 ARG A 44 -16.934 -1.692 -1.420 1.00 52.14 N ATOM 0 H ARG A 44 -10.076 -2.117 1.227 1.00 65.51 H new ATOM 0 HA ARG A 44 -10.762 0.377 -0.057 1.00 71.34 H new ATOM 0 HB2 ARG A 44 -12.548 -0.882 -1.134 1.00 72.23 H new ATOM 0 HB3 ARG A 44 -10.997 -1.683 -1.285 1.00 72.23 H new ATOM 0 HG2 ARG A 44 -12.432 -3.468 -0.915 1.00 60.55 H new ATOM 0 HG3 ARG A 44 -11.790 -3.182 0.690 1.00 60.55 H new ATOM 0 HD2 ARG A 44 -14.206 -3.608 0.805 1.00 74.44 H new ATOM 0 HD3 ARG A 44 -13.857 -1.975 1.336 1.00 74.44 H new ATOM 0 HE ARG A 44 -14.445 -1.594 -1.328 1.00 31.13 H new ATOM 0 HH11 ARG A 44 -16.197 -3.300 1.273 1.00 12.34 H new ATOM 0 HH12 ARG A 44 -17.778 -2.976 0.555 1.00 12.34 H new ATOM 0 HH21 ARG A 44 -16.502 -1.179 -2.189 1.00 52.14 H new ATOM 0 HH22 ARG A 44 -17.948 -1.790 -1.378 1.00 52.14 H new ATOM 706 N GLU A 45 -12.292 -0.354 2.703 1.00 31.25 N ATOM 707 CA GLU A 45 -13.171 0.213 3.742 1.00 44.05 C ATOM 708 C GLU A 45 -12.538 1.496 4.331 1.00 70.22 C ATOM 709 O GLU A 45 -13.183 2.548 4.401 1.00 61.24 O ATOM 710 CB GLU A 45 -13.420 -0.840 4.848 1.00 63.03 C ATOM 711 CG GLU A 45 -14.439 -0.427 5.934 1.00 34.10 C ATOM 712 CD GLU A 45 -15.861 -0.182 5.387 1.00 4.24 C ATOM 713 OE1 GLU A 45 -16.259 0.992 5.199 1.00 71.32 O ATOM 714 OE2 GLU A 45 -16.595 -1.170 5.137 1.00 74.12 O ATOM 0 H GLU A 45 -11.729 -1.143 3.020 1.00 31.25 H new ATOM 0 HA GLU A 45 -14.130 0.481 3.298 1.00 44.05 H new ATOM 0 HB2 GLU A 45 -13.767 -1.761 4.379 1.00 63.03 H new ATOM 0 HB3 GLU A 45 -12.470 -1.067 5.332 1.00 63.03 H new ATOM 0 HG2 GLU A 45 -14.481 -1.206 6.696 1.00 34.10 H new ATOM 0 HG3 GLU A 45 -14.086 0.480 6.425 1.00 34.10 H new ATOM 721 N HIS A 46 -11.244 1.395 4.710 1.00 32.03 N ATOM 722 CA HIS A 46 -10.462 2.512 5.301 1.00 51.41 C ATOM 723 C HIS A 46 -10.290 3.661 4.275 1.00 4.41 C ATOM 724 O HIS A 46 -10.077 4.822 4.639 1.00 53.11 O ATOM 725 CB HIS A 46 -9.074 1.984 5.770 1.00 75.21 C ATOM 726 CG HIS A 46 -8.326 2.880 6.723 1.00 60.01 C ATOM 727 ND1 HIS A 46 -8.172 2.580 8.057 1.00 21.13 N ATOM 728 CD2 HIS A 46 -7.687 4.061 6.537 1.00 31.02 C ATOM 729 CE1 HIS A 46 -7.487 3.535 8.649 1.00 2.22 C ATOM 730 NE2 HIS A 46 -7.179 4.451 7.751 1.00 63.33 N ATOM 0 H HIS A 46 -10.707 0.533 4.615 1.00 32.03 H new ATOM 0 HA HIS A 46 -11.002 2.908 6.161 1.00 51.41 H new ATOM 0 HB2 HIS A 46 -9.216 1.014 6.247 1.00 75.21 H new ATOM 0 HB3 HIS A 46 -8.452 1.819 4.890 1.00 75.21 H new ATOM 0 HD2 HIS A 46 -7.595 4.597 5.604 1.00 31.02 H new ATOM 0 HE1 HIS A 46 -7.221 3.564 9.695 1.00 2.22 H new ATOM 0 HE2 HIS A 46 -6.652 5.306 7.929 1.00 63.33 H new ATOM 739 N ALA A 47 -10.386 3.289 2.993 1.00 64.03 N ATOM 740 CA ALA A 47 -10.336 4.200 1.844 1.00 44.25 C ATOM 741 C ALA A 47 -11.410 5.288 1.913 1.00 31.44 C ATOM 742 O ALA A 47 -11.154 6.440 1.587 1.00 62.30 O ATOM 743 CB ALA A 47 -10.539 3.383 0.576 1.00 74.32 C ATOM 0 H ALA A 47 -10.504 2.314 2.718 1.00 64.03 H new ATOM 0 HA ALA A 47 -9.367 4.698 1.849 1.00 44.25 H new ATOM 0 HB1 ALA A 47 -10.505 4.043 -0.291 1.00 74.32 H new ATOM 0 HB2 ALA A 47 -9.750 2.636 0.494 1.00 74.32 H new ATOM 0 HB3 ALA A 47 -11.508 2.885 0.615 1.00 74.32 H new ATOM 749 N ARG A 48 -12.614 4.878 2.352 1.00 10.11 N ATOM 750 CA ARG A 48 -13.800 5.750 2.422 1.00 25.33 C ATOM 751 C ARG A 48 -13.601 6.947 3.374 1.00 20.32 C ATOM 752 O ARG A 48 -14.281 7.958 3.237 1.00 41.24 O ATOM 753 CB ARG A 48 -15.034 4.925 2.850 1.00 74.11 C ATOM 754 CG ARG A 48 -15.450 3.847 1.823 1.00 11.53 C ATOM 755 CD ARG A 48 -16.659 3.013 2.286 1.00 31.01 C ATOM 756 NE ARG A 48 -17.190 2.164 1.198 1.00 1.23 N ATOM 757 CZ ARG A 48 -17.599 0.895 1.329 1.00 42.30 C ATOM 758 NH1 ARG A 48 -17.535 0.270 2.508 1.00 65.31 N ATOM 759 NH2 ARG A 48 -18.117 0.268 0.280 1.00 43.33 N ATOM 0 H ARG A 48 -12.792 3.925 2.670 1.00 10.11 H new ATOM 0 HA ARG A 48 -13.959 6.162 1.425 1.00 25.33 H new ATOM 0 HB2 ARG A 48 -14.824 4.442 3.804 1.00 74.11 H new ATOM 0 HB3 ARG A 48 -15.873 5.601 3.013 1.00 74.11 H new ATOM 0 HG2 ARG A 48 -15.689 4.329 0.875 1.00 11.53 H new ATOM 0 HG3 ARG A 48 -14.606 3.183 1.639 1.00 11.53 H new ATOM 0 HD2 ARG A 48 -16.366 2.385 3.127 1.00 31.01 H new ATOM 0 HD3 ARG A 48 -17.444 3.679 2.644 1.00 31.01 H new ATOM 0 HE ARG A 48 -17.250 2.580 0.269 1.00 1.23 H new ATOM 0 HH11 ARG A 48 -17.171 0.759 3.325 1.00 65.31 H new ATOM 0 HH12 ARG A 48 -17.851 -0.696 2.591 1.00 65.31 H new ATOM 0 HH21 ARG A 48 -18.200 0.752 -0.614 1.00 43.33 H new ATOM 0 HH22 ARG A 48 -18.432 -0.698 0.368 1.00 43.33 H new ATOM 773 N GLU A 49 -12.666 6.805 4.327 1.00 53.42 N ATOM 774 CA GLU A 49 -12.281 7.882 5.260 1.00 31.42 C ATOM 775 C GLU A 49 -11.526 9.005 4.512 1.00 23.44 C ATOM 776 O GLU A 49 -11.829 10.187 4.678 1.00 23.44 O ATOM 777 CB GLU A 49 -11.411 7.295 6.404 1.00 10.12 C ATOM 778 CG GLU A 49 -12.133 6.248 7.273 1.00 44.15 C ATOM 779 CD GLU A 49 -11.227 5.637 8.353 1.00 25.10 C ATOM 780 OE1 GLU A 49 -10.775 4.480 8.186 1.00 73.24 O ATOM 781 OE2 GLU A 49 -10.952 6.318 9.372 1.00 1.44 O ATOM 0 H GLU A 49 -12.152 5.936 4.475 1.00 53.42 H new ATOM 0 HA GLU A 49 -13.181 8.318 5.693 1.00 31.42 H new ATOM 0 HB2 GLU A 49 -10.521 6.839 5.971 1.00 10.12 H new ATOM 0 HB3 GLU A 49 -11.073 8.111 7.043 1.00 10.12 H new ATOM 0 HG2 GLU A 49 -12.996 6.713 7.750 1.00 44.15 H new ATOM 0 HG3 GLU A 49 -12.513 5.452 6.633 1.00 44.15 H new ATOM 788 N LEU A 50 -10.559 8.602 3.671 1.00 41.13 N ATOM 789 CA LEU A 50 -9.718 9.529 2.875 1.00 3.03 C ATOM 790 C LEU A 50 -10.502 10.112 1.677 1.00 0.53 C ATOM 791 O LEU A 50 -10.265 11.250 1.259 1.00 51.13 O ATOM 792 CB LEU A 50 -8.442 8.790 2.388 1.00 40.20 C ATOM 793 CG LEU A 50 -7.521 8.219 3.513 1.00 44.25 C ATOM 794 CD1 LEU A 50 -6.315 7.477 2.902 1.00 14.52 C ATOM 795 CD2 LEU A 50 -7.059 9.333 4.485 1.00 21.23 C ATOM 0 H LEU A 50 -10.333 7.619 3.519 1.00 41.13 H new ATOM 0 HA LEU A 50 -9.427 10.364 3.512 1.00 3.03 H new ATOM 0 HB2 LEU A 50 -8.745 7.968 1.740 1.00 40.20 H new ATOM 0 HB3 LEU A 50 -7.856 9.478 1.778 1.00 40.20 H new ATOM 0 HG LEU A 50 -8.103 7.503 4.093 1.00 44.25 H new ATOM 0 HD11 LEU A 50 -5.685 7.086 3.701 1.00 14.52 H new ATOM 0 HD12 LEU A 50 -6.670 6.652 2.284 1.00 14.52 H new ATOM 0 HD13 LEU A 50 -5.736 8.167 2.288 1.00 14.52 H new ATOM 0 HD21 LEU A 50 -6.420 8.902 5.255 1.00 21.23 H new ATOM 0 HD22 LEU A 50 -6.502 10.090 3.933 1.00 21.23 H new ATOM 0 HD23 LEU A 50 -7.930 9.793 4.952 1.00 21.23 H new ATOM 807 N GLN A 51 -11.433 9.299 1.150 1.00 35.30 N ATOM 808 CA GLN A 51 -12.346 9.676 0.057 1.00 14.54 C ATOM 809 C GLN A 51 -13.364 10.723 0.552 1.00 65.34 C ATOM 810 O GLN A 51 -13.691 11.667 -0.170 1.00 31.13 O ATOM 811 CB GLN A 51 -13.065 8.405 -0.483 1.00 14.40 C ATOM 812 CG GLN A 51 -14.138 8.681 -1.552 1.00 52.45 C ATOM 813 CD GLN A 51 -14.808 7.411 -2.070 1.00 14.11 C ATOM 814 OE1 GLN A 51 -14.386 6.831 -3.071 1.00 32.54 O ATOM 815 NE2 GLN A 51 -15.839 6.954 -1.370 1.00 61.24 N ATOM 0 H GLN A 51 -11.575 8.344 1.478 1.00 35.30 H new ATOM 0 HA GLN A 51 -11.775 10.123 -0.757 1.00 14.54 H new ATOM 0 HB2 GLN A 51 -12.318 7.732 -0.903 1.00 14.40 H new ATOM 0 HB3 GLN A 51 -13.530 7.884 0.354 1.00 14.40 H new ATOM 0 HG2 GLN A 51 -14.898 9.341 -1.133 1.00 52.45 H new ATOM 0 HG3 GLN A 51 -13.681 9.211 -2.388 1.00 52.45 H new ATOM 0 HE21 GLN A 51 -16.161 7.461 -0.546 1.00 61.24 H new ATOM 0 HE22 GLN A 51 -16.309 6.095 -1.656 1.00 61.24 H new ATOM 824 N LYS A 52 -13.835 10.540 1.802 1.00 14.04 N ATOM 825 CA LYS A 52 -14.745 11.489 2.481 1.00 54.02 C ATOM 826 C LYS A 52 -14.081 12.874 2.598 1.00 23.32 C ATOM 827 O LYS A 52 -14.699 13.900 2.304 1.00 53.33 O ATOM 828 CB LYS A 52 -15.104 10.939 3.891 1.00 15.15 C ATOM 829 CG LYS A 52 -15.930 11.887 4.788 1.00 5.53 C ATOM 830 CD LYS A 52 -16.135 11.312 6.210 1.00 53.20 C ATOM 831 CE LYS A 52 -16.835 12.299 7.155 1.00 25.24 C ATOM 832 NZ LYS A 52 -16.911 11.778 8.550 1.00 73.32 N ATOM 0 H LYS A 52 -13.595 9.729 2.372 1.00 14.04 H new ATOM 0 HA LYS A 52 -15.658 11.596 1.895 1.00 54.02 H new ATOM 0 HB2 LYS A 52 -15.659 10.009 3.768 1.00 15.15 H new ATOM 0 HB3 LYS A 52 -14.179 10.691 4.411 1.00 15.15 H new ATOM 0 HG2 LYS A 52 -15.426 12.851 4.857 1.00 5.53 H new ATOM 0 HG3 LYS A 52 -16.901 12.067 4.327 1.00 5.53 H new ATOM 0 HD2 LYS A 52 -16.724 10.397 6.146 1.00 53.20 H new ATOM 0 HD3 LYS A 52 -15.167 11.039 6.630 1.00 53.20 H new ATOM 0 HE2 LYS A 52 -16.298 13.248 7.151 1.00 25.24 H new ATOM 0 HE3 LYS A 52 -17.841 12.501 6.788 1.00 25.24 H new ATOM 0 HZ1 LYS A 52 -17.391 12.475 9.155 1.00 73.32 H new ATOM 0 HZ2 LYS A 52 -17.445 10.886 8.559 1.00 73.32 H new ATOM 0 HZ3 LYS A 52 -15.950 11.610 8.910 1.00 73.32 H new ATOM 846 N GLN A 53 -12.793 12.857 2.970 1.00 34.24 N ATOM 847 CA GLN A 53 -11.985 14.069 3.169 1.00 3.52 C ATOM 848 C GLN A 53 -11.570 14.695 1.824 1.00 35.43 C ATOM 849 O GLN A 53 -11.398 15.916 1.732 1.00 73.13 O ATOM 850 CB GLN A 53 -10.735 13.716 4.007 1.00 72.02 C ATOM 851 CG GLN A 53 -11.045 13.197 5.420 1.00 32.11 C ATOM 852 CD GLN A 53 -9.787 12.818 6.200 1.00 40.45 C ATOM 853 OE1 GLN A 53 -9.191 13.651 6.881 1.00 15.05 O ATOM 854 NE2 GLN A 53 -9.370 11.563 6.093 1.00 73.33 N ATOM 0 H GLN A 53 -12.278 11.994 3.143 1.00 34.24 H new ATOM 0 HA GLN A 53 -12.587 14.806 3.701 1.00 3.52 H new ATOM 0 HB2 GLN A 53 -10.157 12.961 3.474 1.00 72.02 H new ATOM 0 HB3 GLN A 53 -10.105 14.602 4.088 1.00 72.02 H new ATOM 0 HG2 GLN A 53 -11.592 13.962 5.971 1.00 32.11 H new ATOM 0 HG3 GLN A 53 -11.698 12.327 5.348 1.00 32.11 H new ATOM 0 HE21 GLN A 53 -9.890 10.900 5.519 1.00 73.33 H new ATOM 0 HE22 GLN A 53 -8.529 11.261 6.585 1.00 73.33 H new ATOM 863 N GLY A 54 -11.421 13.843 0.789 1.00 12.53 N ATOM 864 CA GLY A 54 -10.977 14.285 -0.535 1.00 63.11 C ATOM 865 C GLY A 54 -9.514 14.728 -0.569 1.00 32.05 C ATOM 866 O GLY A 54 -9.162 15.679 -1.278 1.00 42.20 O ATOM 0 H GLY A 54 -11.604 12.842 0.853 1.00 12.53 H new ATOM 0 HA2 GLY A 54 -11.119 13.473 -1.248 1.00 63.11 H new ATOM 0 HA3 GLY A 54 -11.607 15.112 -0.864 1.00 63.11 H new ATOM 870 N ILE A 55 -8.669 14.046 0.221 1.00 65.25 N ATOM 871 CA ILE A 55 -7.219 14.286 0.231 1.00 55.44 C ATOM 872 C ILE A 55 -6.593 13.576 -0.982 1.00 22.22 C ATOM 873 O ILE A 55 -6.543 12.337 -1.017 1.00 33.21 O ATOM 874 CB ILE A 55 -6.548 13.770 1.566 1.00 34.42 C ATOM 875 CG1 ILE A 55 -7.203 14.458 2.803 1.00 3.30 C ATOM 876 CG2 ILE A 55 -5.015 14.002 1.552 1.00 50.13 C ATOM 877 CD1 ILE A 55 -6.697 13.985 4.160 1.00 72.13 C ATOM 0 H ILE A 55 -8.971 13.317 0.867 1.00 65.25 H new ATOM 0 HA ILE A 55 -7.044 15.360 0.175 1.00 55.44 H new ATOM 0 HB ILE A 55 -6.717 12.696 1.637 1.00 34.42 H new ATOM 0 HG12 ILE A 55 -7.039 15.533 2.728 1.00 3.30 H new ATOM 0 HG13 ILE A 55 -8.280 14.296 2.759 1.00 3.30 H new ATOM 0 HG21 ILE A 55 -4.583 13.637 2.484 1.00 50.13 H new ATOM 0 HG22 ILE A 55 -4.573 13.465 0.712 1.00 50.13 H new ATOM 0 HG23 ILE A 55 -4.809 15.068 1.450 1.00 50.13 H new ATOM 0 HD11 ILE A 55 -7.217 14.526 4.951 1.00 72.13 H new ATOM 0 HD12 ILE A 55 -6.886 12.917 4.267 1.00 72.13 H new ATOM 0 HD13 ILE A 55 -5.626 14.173 4.235 1.00 72.13 H new ATOM 889 N HIS A 56 -6.161 14.351 -1.994 1.00 0.21 N ATOM 890 CA HIS A 56 -5.436 13.789 -3.137 1.00 30.01 C ATOM 891 C HIS A 56 -3.952 13.671 -2.769 1.00 34.20 C ATOM 892 O HIS A 56 -3.263 14.675 -2.624 1.00 24.31 O ATOM 893 CB HIS A 56 -5.602 14.661 -4.411 1.00 41.23 C ATOM 894 CG HIS A 56 -4.824 14.134 -5.614 1.00 62.35 C ATOM 895 ND1 HIS A 56 -5.333 13.206 -6.499 1.00 45.54 N ATOM 896 CD2 HIS A 56 -3.556 14.389 -6.047 1.00 11.51 C ATOM 897 CE1 HIS A 56 -4.416 12.912 -7.408 1.00 5.13 C ATOM 898 NE2 HIS A 56 -3.335 13.616 -7.158 1.00 33.33 N ATOM 0 H HIS A 56 -6.302 15.360 -2.039 1.00 0.21 H new ATOM 0 HA HIS A 56 -5.850 12.806 -3.363 1.00 30.01 H new ATOM 0 HB2 HIS A 56 -6.660 14.717 -4.668 1.00 41.23 H new ATOM 0 HB3 HIS A 56 -5.273 15.677 -4.192 1.00 41.23 H new ATOM 0 HD2 HIS A 56 -2.854 15.075 -5.597 1.00 11.51 H new ATOM 0 HE1 HIS A 56 -4.537 12.210 -8.220 1.00 5.13 H new ATOM 0 HE2 HIS A 56 -2.472 13.592 -7.702 1.00 33.33 H new ATOM 907 N PHE A 57 -3.486 12.440 -2.628 1.00 22.11 N ATOM 908 CA PHE A 57 -2.061 12.102 -2.513 1.00 43.34 C ATOM 909 C PHE A 57 -1.668 11.382 -3.799 1.00 33.03 C ATOM 910 O PHE A 57 -2.473 10.606 -4.344 1.00 65.43 O ATOM 911 CB PHE A 57 -1.798 11.215 -1.257 1.00 41.23 C ATOM 912 CG PHE A 57 -2.807 10.080 -1.075 1.00 23.45 C ATOM 913 CD1 PHE A 57 -2.611 8.829 -1.666 1.00 42.23 C ATOM 914 CD2 PHE A 57 -3.982 10.289 -0.349 1.00 72.44 C ATOM 915 CE1 PHE A 57 -3.547 7.828 -1.526 1.00 60.31 C ATOM 916 CE2 PHE A 57 -4.912 9.283 -0.207 1.00 32.42 C ATOM 917 CZ PHE A 57 -4.697 8.063 -0.804 1.00 23.03 C ATOM 0 H PHE A 57 -4.096 11.623 -2.589 1.00 22.11 H new ATOM 0 HA PHE A 57 -1.458 13.001 -2.384 1.00 43.34 H new ATOM 0 HB2 PHE A 57 -0.797 10.790 -1.328 1.00 41.23 H new ATOM 0 HB3 PHE A 57 -1.813 11.847 -0.369 1.00 41.23 H new ATOM 0 HD1 PHE A 57 -1.715 8.645 -2.240 1.00 42.23 H new ATOM 0 HD2 PHE A 57 -4.163 11.251 0.107 1.00 72.44 H new ATOM 0 HE1 PHE A 57 -3.380 6.863 -1.980 1.00 60.31 H new ATOM 0 HE2 PHE A 57 -5.808 9.452 0.372 1.00 32.42 H new ATOM 0 HZ PHE A 57 -5.436 7.282 -0.706 1.00 23.03 H new ATOM 927 N GLU A 58 -0.455 11.636 -4.289 1.00 44.21 N ATOM 928 CA GLU A 58 0.005 11.072 -5.564 1.00 22.51 C ATOM 929 C GLU A 58 1.428 10.518 -5.417 1.00 4.41 C ATOM 930 O GLU A 58 2.327 11.226 -4.959 1.00 1.12 O ATOM 931 CB GLU A 58 -0.079 12.157 -6.671 1.00 43.04 C ATOM 932 CG GLU A 58 0.086 11.611 -8.103 1.00 53.34 C ATOM 933 CD GLU A 58 -0.208 12.665 -9.177 1.00 42.14 C ATOM 934 OE1 GLU A 58 -1.406 12.944 -9.432 1.00 22.13 O ATOM 935 OE2 GLU A 58 0.744 13.230 -9.761 1.00 40.11 O ATOM 0 H GLU A 58 0.231 12.230 -3.823 1.00 44.21 H new ATOM 0 HA GLU A 58 -0.639 10.242 -5.853 1.00 22.51 H new ATOM 0 HB2 GLU A 58 -1.041 12.663 -6.596 1.00 43.04 H new ATOM 0 HB3 GLU A 58 0.691 12.907 -6.489 1.00 43.04 H new ATOM 0 HG2 GLU A 58 1.103 11.242 -8.231 1.00 53.34 H new ATOM 0 HG3 GLU A 58 -0.582 10.761 -8.242 1.00 53.34 H new ATOM 942 N VAL A 59 1.597 9.246 -5.810 1.00 71.34 N ATOM 943 CA VAL A 59 2.879 8.533 -5.762 1.00 34.03 C ATOM 944 C VAL A 59 3.901 9.226 -6.674 1.00 60.31 C ATOM 945 O VAL A 59 3.580 9.606 -7.805 1.00 15.22 O ATOM 946 CB VAL A 59 2.683 7.024 -6.174 1.00 60.24 C ATOM 947 CG1 VAL A 59 4.027 6.265 -6.241 1.00 11.11 C ATOM 948 CG2 VAL A 59 1.692 6.332 -5.204 1.00 40.01 C ATOM 0 H VAL A 59 0.834 8.677 -6.175 1.00 71.34 H new ATOM 0 HA VAL A 59 3.261 8.556 -4.741 1.00 34.03 H new ATOM 0 HB VAL A 59 2.261 7.001 -7.179 1.00 60.24 H new ATOM 0 HG11 VAL A 59 3.846 5.229 -6.528 1.00 11.11 H new ATOM 0 HG12 VAL A 59 4.676 6.738 -6.978 1.00 11.11 H new ATOM 0 HG13 VAL A 59 4.509 6.292 -5.264 1.00 11.11 H new ATOM 0 HG21 VAL A 59 1.563 5.290 -5.497 1.00 40.01 H new ATOM 0 HG22 VAL A 59 2.085 6.377 -4.188 1.00 40.01 H new ATOM 0 HG23 VAL A 59 0.729 6.841 -5.243 1.00 40.01 H new ATOM 958 N LYS A 60 5.109 9.404 -6.148 1.00 51.23 N ATOM 959 CA LYS A 60 6.203 10.133 -6.803 1.00 21.11 C ATOM 960 C LYS A 60 7.367 9.182 -7.060 1.00 13.44 C ATOM 961 O LYS A 60 7.837 9.024 -8.191 1.00 15.23 O ATOM 962 CB LYS A 60 6.673 11.291 -5.878 1.00 1.11 C ATOM 963 CG LYS A 60 5.645 12.420 -5.644 1.00 42.50 C ATOM 964 CD LYS A 60 5.395 13.296 -6.893 1.00 12.24 C ATOM 965 CE LYS A 60 6.685 13.945 -7.432 1.00 21.51 C ATOM 966 NZ LYS A 60 7.436 14.696 -6.385 1.00 54.01 N ATOM 0 H LYS A 60 5.366 9.038 -5.231 1.00 51.23 H new ATOM 0 HA LYS A 60 5.854 10.541 -7.752 1.00 21.11 H new ATOM 0 HB2 LYS A 60 6.949 10.870 -4.911 1.00 1.11 H new ATOM 0 HB3 LYS A 60 7.575 11.729 -6.305 1.00 1.11 H new ATOM 0 HG2 LYS A 60 4.701 11.980 -5.324 1.00 42.50 H new ATOM 0 HG3 LYS A 60 5.993 13.054 -4.829 1.00 42.50 H new ATOM 0 HD2 LYS A 60 4.946 12.685 -7.676 1.00 12.24 H new ATOM 0 HD3 LYS A 60 4.676 14.077 -6.646 1.00 12.24 H new ATOM 0 HE2 LYS A 60 7.329 13.171 -7.849 1.00 21.51 H new ATOM 0 HE3 LYS A 60 6.432 14.623 -8.247 1.00 21.51 H new ATOM 0 HZ1 LYS A 60 8.266 15.153 -6.814 1.00 54.01 H new ATOM 0 HZ2 LYS A 60 6.818 15.421 -5.968 1.00 54.01 H new ATOM 0 HZ3 LYS A 60 7.748 14.038 -5.642 1.00 54.01 H new ATOM 980 N ARG A 61 7.802 8.531 -5.981 1.00 1.05 N ATOM 981 CA ARG A 61 9.005 7.708 -5.963 1.00 1.30 C ATOM 982 C ARG A 61 8.736 6.470 -5.119 1.00 11.23 C ATOM 983 O ARG A 61 8.354 6.597 -3.963 1.00 72.41 O ATOM 984 CB ARG A 61 10.161 8.553 -5.355 1.00 1.20 C ATOM 985 CG ARG A 61 11.519 7.828 -5.210 1.00 72.11 C ATOM 986 CD ARG A 61 12.623 8.749 -4.656 1.00 54.42 C ATOM 987 NE ARG A 61 12.853 9.929 -5.510 1.00 21.24 N ATOM 988 CZ ARG A 61 13.754 10.895 -5.269 1.00 21.12 C ATOM 989 NH1 ARG A 61 14.541 10.848 -4.188 1.00 43.10 N ATOM 990 NH2 ARG A 61 13.878 11.906 -6.127 1.00 3.31 N ATOM 0 H ARG A 61 7.319 8.563 -5.083 1.00 1.05 H new ATOM 0 HA ARG A 61 9.284 7.391 -6.968 1.00 1.30 H new ATOM 0 HB2 ARG A 61 10.306 9.436 -5.977 1.00 1.20 H new ATOM 0 HB3 ARG A 61 9.851 8.904 -4.371 1.00 1.20 H new ATOM 0 HG2 ARG A 61 11.400 6.970 -4.548 1.00 72.11 H new ATOM 0 HG3 ARG A 61 11.826 7.441 -6.182 1.00 72.11 H new ATOM 0 HD2 ARG A 61 12.349 9.078 -3.654 1.00 54.42 H new ATOM 0 HD3 ARG A 61 13.551 8.184 -4.564 1.00 54.42 H new ATOM 0 HE ARG A 61 12.282 10.019 -6.351 1.00 21.24 H new ATOM 0 HH11 ARG A 61 14.461 10.070 -3.533 1.00 43.10 H new ATOM 0 HH12 ARG A 61 15.220 11.590 -4.019 1.00 43.10 H new ATOM 0 HH21 ARG A 61 13.291 11.943 -6.960 1.00 3.31 H new ATOM 0 HH22 ARG A 61 14.560 12.644 -5.951 1.00 3.31 H new ATOM 1004 N VAL A 62 8.927 5.283 -5.703 1.00 3.12 N ATOM 1005 CA VAL A 62 8.803 4.000 -4.982 1.00 23.22 C ATOM 1006 C VAL A 62 10.205 3.416 -4.805 1.00 32.54 C ATOM 1007 O VAL A 62 10.923 3.243 -5.793 1.00 74.44 O ATOM 1008 CB VAL A 62 7.889 2.961 -5.750 1.00 53.11 C ATOM 1009 CG1 VAL A 62 7.698 1.653 -4.935 1.00 30.14 C ATOM 1010 CG2 VAL A 62 6.531 3.595 -6.097 1.00 40.21 C ATOM 0 H VAL A 62 9.172 5.178 -6.688 1.00 3.12 H new ATOM 0 HA VAL A 62 8.328 4.190 -4.020 1.00 23.22 H new ATOM 0 HB VAL A 62 8.395 2.693 -6.677 1.00 53.11 H new ATOM 0 HG11 VAL A 62 7.065 0.965 -5.495 1.00 30.14 H new ATOM 0 HG12 VAL A 62 8.669 1.190 -4.757 1.00 30.14 H new ATOM 0 HG13 VAL A 62 7.226 1.885 -3.980 1.00 30.14 H new ATOM 0 HG21 VAL A 62 5.914 2.868 -6.625 1.00 40.21 H new ATOM 0 HG22 VAL A 62 6.027 3.901 -5.180 1.00 40.21 H new ATOM 0 HG23 VAL A 62 6.688 4.467 -6.732 1.00 40.21 H new ATOM 1020 N GLU A 63 10.597 3.131 -3.557 1.00 51.10 N ATOM 1021 CA GLU A 63 11.901 2.526 -3.227 1.00 33.04 C ATOM 1022 C GLU A 63 11.648 1.333 -2.302 1.00 74.33 C ATOM 1023 O GLU A 63 11.290 1.520 -1.138 1.00 35.02 O ATOM 1024 CB GLU A 63 12.820 3.571 -2.524 1.00 5.32 C ATOM 1025 CG GLU A 63 13.183 4.792 -3.387 1.00 50.33 C ATOM 1026 CD GLU A 63 13.972 5.862 -2.614 1.00 31.51 C ATOM 1027 OE1 GLU A 63 13.345 6.741 -1.984 1.00 50.40 O ATOM 1028 OE2 GLU A 63 15.221 5.829 -2.626 1.00 21.11 O ATOM 0 H GLU A 63 10.016 3.314 -2.739 1.00 51.10 H new ATOM 0 HA GLU A 63 12.404 2.197 -4.136 1.00 33.04 H new ATOM 0 HB2 GLU A 63 12.325 3.918 -1.617 1.00 5.32 H new ATOM 0 HB3 GLU A 63 13.740 3.075 -2.215 1.00 5.32 H new ATOM 0 HG2 GLU A 63 13.772 4.463 -4.243 1.00 50.33 H new ATOM 0 HG3 GLU A 63 12.269 5.236 -3.781 1.00 50.33 H new ATOM 1035 N VAL A 64 11.813 0.114 -2.821 1.00 65.34 N ATOM 1036 CA VAL A 64 11.553 -1.116 -2.059 1.00 13.51 C ATOM 1037 C VAL A 64 12.884 -1.696 -1.510 1.00 14.12 C ATOM 1038 O VAL A 64 13.916 -1.658 -2.193 1.00 54.21 O ATOM 1039 CB VAL A 64 10.772 -2.157 -2.953 1.00 2.32 C ATOM 1040 CG1 VAL A 64 11.582 -2.644 -4.177 1.00 44.32 C ATOM 1041 CG2 VAL A 64 10.257 -3.334 -2.114 1.00 25.11 C ATOM 0 H VAL A 64 12.129 -0.051 -3.777 1.00 65.34 H new ATOM 0 HA VAL A 64 10.920 -0.886 -1.202 1.00 13.51 H new ATOM 0 HB VAL A 64 9.912 -1.624 -3.358 1.00 2.32 H new ATOM 0 HG11 VAL A 64 10.986 -3.357 -4.747 1.00 44.32 H new ATOM 0 HG12 VAL A 64 11.833 -1.792 -4.810 1.00 44.32 H new ATOM 0 HG13 VAL A 64 12.499 -3.127 -3.838 1.00 44.32 H new ATOM 0 HG21 VAL A 64 9.724 -4.034 -2.757 1.00 25.11 H new ATOM 0 HG22 VAL A 64 11.099 -3.842 -1.645 1.00 25.11 H new ATOM 0 HG23 VAL A 64 9.582 -2.963 -1.343 1.00 25.11 H new ATOM 1051 N THR A 65 12.852 -2.202 -0.262 1.00 42.21 N ATOM 1052 CA THR A 65 14.024 -2.805 0.411 1.00 3.15 C ATOM 1053 C THR A 65 13.566 -3.985 1.287 1.00 32.03 C ATOM 1054 O THR A 65 12.366 -4.179 1.481 1.00 21.10 O ATOM 1055 CB THR A 65 14.803 -1.747 1.276 1.00 41.30 C ATOM 1056 OG1 THR A 65 15.987 -2.340 1.845 1.00 31.13 O ATOM 1057 CG2 THR A 65 13.947 -1.145 2.409 1.00 0.42 C ATOM 0 H THR A 65 12.009 -2.205 0.312 1.00 42.21 H new ATOM 0 HA THR A 65 14.710 -3.167 -0.355 1.00 3.15 H new ATOM 0 HB THR A 65 15.070 -0.936 0.599 1.00 41.30 H new ATOM 0 HG1 THR A 65 16.464 -1.671 2.379 1.00 31.13 H new ATOM 0 HG21 THR A 65 14.541 -0.423 2.969 1.00 0.42 H new ATOM 0 HG22 THR A 65 13.077 -0.646 1.982 1.00 0.42 H new ATOM 0 HG23 THR A 65 13.617 -1.940 3.078 1.00 0.42 H new ATOM 1065 N THR A 66 14.523 -4.770 1.823 1.00 11.41 N ATOM 1066 CA THR A 66 14.227 -5.923 2.704 1.00 73.34 C ATOM 1067 C THR A 66 15.006 -5.816 4.018 1.00 52.53 C ATOM 1068 O THR A 66 16.118 -5.279 4.049 1.00 42.42 O ATOM 1069 CB THR A 66 14.571 -7.291 2.024 1.00 12.24 C ATOM 1070 OG1 THR A 66 15.930 -7.292 1.556 1.00 41.43 O ATOM 1071 CG2 THR A 66 13.635 -7.601 0.856 1.00 34.23 C ATOM 0 H THR A 66 15.519 -4.625 1.659 1.00 11.41 H new ATOM 0 HA THR A 66 13.155 -5.894 2.901 1.00 73.34 H new ATOM 0 HB THR A 66 14.440 -8.065 2.781 1.00 12.24 H new ATOM 0 HG1 THR A 66 16.130 -8.154 1.135 1.00 41.43 H new ATOM 0 HG21 THR A 66 13.910 -8.559 0.414 1.00 34.23 H new ATOM 0 HG22 THR A 66 12.607 -7.649 1.216 1.00 34.23 H new ATOM 0 HG23 THR A 66 13.720 -6.817 0.104 1.00 34.23 H new ATOM 1079 N ASP A 67 14.418 -6.361 5.089 1.00 63.32 N ATOM 1080 CA ASP A 67 15.019 -6.391 6.429 1.00 51.31 C ATOM 1081 C ASP A 67 14.796 -7.796 7.002 1.00 4.25 C ATOM 1082 O ASP A 67 13.719 -8.101 7.528 1.00 21.41 O ATOM 1083 CB ASP A 67 14.388 -5.284 7.312 1.00 52.53 C ATOM 1084 CG ASP A 67 15.004 -5.197 8.715 1.00 65.04 C ATOM 1085 OD1 ASP A 67 14.285 -5.418 9.721 1.00 51.42 O ATOM 1086 OD2 ASP A 67 16.219 -4.903 8.820 1.00 1.33 O ATOM 0 H ASP A 67 13.498 -6.800 5.050 1.00 63.32 H new ATOM 0 HA ASP A 67 16.090 -6.189 6.395 1.00 51.31 H new ATOM 0 HB2 ASP A 67 14.503 -4.322 6.813 1.00 52.53 H new ATOM 0 HB3 ASP A 67 13.318 -5.469 7.404 1.00 52.53 H new ATOM 1091 N GLY A 68 15.817 -8.656 6.839 1.00 4.03 N ATOM 1092 CA GLY A 68 15.671 -10.086 7.066 1.00 24.33 C ATOM 1093 C GLY A 68 14.859 -10.719 5.938 1.00 50.34 C ATOM 1094 O GLY A 68 15.382 -10.955 4.843 1.00 54.00 O ATOM 0 H GLY A 68 16.753 -8.373 6.549 1.00 4.03 H new ATOM 0 HA2 GLY A 68 16.653 -10.555 7.124 1.00 24.33 H new ATOM 0 HA3 GLY A 68 15.177 -10.261 8.022 1.00 24.33 H new ATOM 1098 N ASN A 69 13.574 -10.978 6.209 1.00 3.23 N ATOM 1099 CA ASN A 69 12.583 -11.400 5.186 1.00 23.52 C ATOM 1100 C ASN A 69 11.442 -10.381 5.088 1.00 33.15 C ATOM 1101 O ASN A 69 10.623 -10.460 4.173 1.00 64.54 O ATOM 1102 CB ASN A 69 12.023 -12.818 5.513 1.00 74.24 C ATOM 1103 CG ASN A 69 12.878 -13.952 4.946 1.00 62.10 C ATOM 1104 OD1 ASN A 69 12.618 -14.446 3.848 1.00 24.11 O ATOM 1105 ND2 ASN A 69 13.920 -14.341 5.660 1.00 74.44 N ATOM 0 H ASN A 69 13.181 -10.903 7.147 1.00 3.23 H new ATOM 0 HA ASN A 69 13.088 -11.446 4.221 1.00 23.52 H new ATOM 0 HB2 ASN A 69 11.952 -12.932 6.595 1.00 74.24 H new ATOM 0 HB3 ASN A 69 11.011 -12.902 5.116 1.00 74.24 H new ATOM 0 HD21 ASN A 69 14.537 -15.071 5.305 1.00 74.44 H new ATOM 0 HD22 ASN A 69 14.107 -13.911 6.566 1.00 74.44 H new ATOM 1112 N THR A 70 11.420 -9.401 6.003 1.00 43.03 N ATOM 1113 CA THR A 70 10.326 -8.437 6.104 1.00 3.21 C ATOM 1114 C THR A 70 10.611 -7.249 5.174 1.00 41.34 C ATOM 1115 O THR A 70 11.569 -6.496 5.382 1.00 60.01 O ATOM 1116 CB THR A 70 10.178 -7.946 7.578 1.00 31.44 C ATOM 1117 OG1 THR A 70 10.128 -9.083 8.460 1.00 24.30 O ATOM 1118 CG2 THR A 70 8.921 -7.090 7.785 1.00 21.45 C ATOM 0 H THR A 70 12.160 -9.258 6.690 1.00 43.03 H new ATOM 0 HA THR A 70 9.393 -8.914 5.804 1.00 3.21 H new ATOM 0 HB THR A 70 11.043 -7.323 7.803 1.00 31.44 H new ATOM 0 HG1 THR A 70 10.037 -8.775 9.386 1.00 24.30 H new ATOM 0 HG21 THR A 70 8.864 -6.773 8.826 1.00 21.45 H new ATOM 0 HG22 THR A 70 8.969 -6.212 7.141 1.00 21.45 H new ATOM 0 HG23 THR A 70 8.037 -7.676 7.535 1.00 21.45 H new ATOM 1126 N VAL A 71 9.762 -7.095 4.156 1.00 62.44 N ATOM 1127 CA VAL A 71 9.964 -6.123 3.076 1.00 2.22 C ATOM 1128 C VAL A 71 9.370 -4.769 3.490 1.00 33.35 C ATOM 1129 O VAL A 71 8.255 -4.715 3.983 1.00 33.25 O ATOM 1130 CB VAL A 71 9.291 -6.614 1.737 1.00 44.00 C ATOM 1131 CG1 VAL A 71 9.655 -5.675 0.568 1.00 71.14 C ATOM 1132 CG2 VAL A 71 9.692 -8.072 1.430 1.00 71.11 C ATOM 0 H VAL A 71 8.908 -7.644 4.056 1.00 62.44 H new ATOM 0 HA VAL A 71 11.035 -6.019 2.900 1.00 2.22 H new ATOM 0 HB VAL A 71 8.209 -6.585 1.863 1.00 44.00 H new ATOM 0 HG11 VAL A 71 9.181 -6.032 -0.346 1.00 71.14 H new ATOM 0 HG12 VAL A 71 9.305 -4.667 0.789 1.00 71.14 H new ATOM 0 HG13 VAL A 71 10.737 -5.663 0.435 1.00 71.14 H new ATOM 0 HG21 VAL A 71 9.218 -8.392 0.502 1.00 71.11 H new ATOM 0 HG22 VAL A 71 10.775 -8.137 1.325 1.00 71.11 H new ATOM 0 HG23 VAL A 71 9.367 -8.718 2.246 1.00 71.11 H new ATOM 1142 N ASN A 72 10.138 -3.693 3.304 1.00 54.51 N ATOM 1143 CA ASN A 72 9.733 -2.318 3.644 1.00 50.13 C ATOM 1144 C ASN A 72 9.729 -1.478 2.363 1.00 2.32 C ATOM 1145 O ASN A 72 10.770 -1.333 1.712 1.00 24.05 O ATOM 1146 CB ASN A 72 10.717 -1.721 4.685 1.00 24.52 C ATOM 1147 CG ASN A 72 10.668 -2.442 6.035 1.00 12.21 C ATOM 1148 OD1 ASN A 72 9.936 -2.037 6.934 1.00 4.23 O ATOM 1149 ND2 ASN A 72 11.422 -3.530 6.181 1.00 21.05 N ATOM 0 H ASN A 72 11.076 -3.749 2.906 1.00 54.51 H new ATOM 0 HA ASN A 72 8.734 -2.318 4.081 1.00 50.13 H new ATOM 0 HB2 ASN A 72 11.731 -1.771 4.289 1.00 24.52 H new ATOM 0 HB3 ASN A 72 10.485 -0.666 4.834 1.00 24.52 H new ATOM 0 HD21 ASN A 72 11.401 -4.051 7.058 1.00 21.05 H new ATOM 0 HD22 ASN A 72 12.020 -3.842 5.416 1.00 21.05 H new ATOM 1156 N VAL A 73 8.552 -0.963 1.983 1.00 30.04 N ATOM 1157 CA VAL A 73 8.400 -0.108 0.791 1.00 73.14 C ATOM 1158 C VAL A 73 8.340 1.369 1.218 1.00 20.34 C ATOM 1159 O VAL A 73 7.318 1.838 1.722 1.00 50.22 O ATOM 1160 CB VAL A 73 7.110 -0.488 -0.042 1.00 3.53 C ATOM 1161 CG1 VAL A 73 7.002 0.356 -1.338 1.00 1.25 C ATOM 1162 CG2 VAL A 73 7.103 -1.998 -0.360 1.00 11.22 C ATOM 0 H VAL A 73 7.681 -1.124 2.488 1.00 30.04 H new ATOM 0 HA VAL A 73 9.265 -0.269 0.147 1.00 73.14 H new ATOM 0 HB VAL A 73 6.235 -0.259 0.566 1.00 3.53 H new ATOM 0 HG11 VAL A 73 6.104 0.069 -1.886 1.00 1.25 H new ATOM 0 HG12 VAL A 73 6.947 1.414 -1.080 1.00 1.25 H new ATOM 0 HG13 VAL A 73 7.879 0.180 -1.961 1.00 1.25 H new ATOM 0 HG21 VAL A 73 6.210 -2.245 -0.934 1.00 11.22 H new ATOM 0 HG22 VAL A 73 7.989 -2.251 -0.942 1.00 11.22 H new ATOM 0 HG23 VAL A 73 7.105 -2.566 0.570 1.00 11.22 H new ATOM 1172 N THR A 74 9.453 2.077 1.023 1.00 53.15 N ATOM 1173 CA THR A 74 9.567 3.505 1.308 1.00 53.10 C ATOM 1174 C THR A 74 9.188 4.294 0.038 1.00 72.24 C ATOM 1175 O THR A 74 9.952 4.350 -0.934 1.00 62.53 O ATOM 1176 CB THR A 74 11.022 3.834 1.769 1.00 72.02 C ATOM 1177 OG1 THR A 74 11.339 3.042 2.937 1.00 22.21 O ATOM 1178 CG2 THR A 74 11.231 5.323 2.085 1.00 2.02 C ATOM 0 H THR A 74 10.312 1.667 0.657 1.00 53.15 H new ATOM 0 HA THR A 74 8.890 3.789 2.113 1.00 53.10 H new ATOM 0 HB THR A 74 11.687 3.591 0.941 1.00 72.02 H new ATOM 0 HG1 THR A 74 11.296 3.607 3.737 1.00 22.21 H new ATOM 0 HG21 THR A 74 12.262 5.487 2.400 1.00 2.02 H new ATOM 0 HG22 THR A 74 11.025 5.916 1.194 1.00 2.02 H new ATOM 0 HG23 THR A 74 10.555 5.623 2.886 1.00 2.02 H new ATOM 1186 N VAL A 75 7.995 4.885 0.055 1.00 44.31 N ATOM 1187 CA VAL A 75 7.404 5.566 -1.110 1.00 61.13 C ATOM 1188 C VAL A 75 7.010 7.014 -0.753 1.00 52.00 C ATOM 1189 O VAL A 75 6.321 7.250 0.236 1.00 42.24 O ATOM 1190 CB VAL A 75 6.169 4.750 -1.675 1.00 22.31 C ATOM 1191 CG1 VAL A 75 5.206 4.322 -0.552 1.00 1.41 C ATOM 1192 CG2 VAL A 75 5.426 5.517 -2.802 1.00 0.54 C ATOM 0 H VAL A 75 7.400 4.908 0.883 1.00 44.31 H new ATOM 0 HA VAL A 75 8.155 5.612 -1.899 1.00 61.13 H new ATOM 0 HB VAL A 75 6.572 3.841 -2.122 1.00 22.31 H new ATOM 0 HG11 VAL A 75 4.372 3.765 -0.980 1.00 1.41 H new ATOM 0 HG12 VAL A 75 5.736 3.691 0.161 1.00 1.41 H new ATOM 0 HG13 VAL A 75 4.827 5.207 -0.041 1.00 1.41 H new ATOM 0 HG21 VAL A 75 4.587 4.918 -3.158 1.00 0.54 H new ATOM 0 HG22 VAL A 75 5.056 6.466 -2.413 1.00 0.54 H new ATOM 0 HG23 VAL A 75 6.113 5.706 -3.627 1.00 0.54 H new ATOM 1202 N GLU A 76 7.501 7.974 -1.554 1.00 73.05 N ATOM 1203 CA GLU A 76 7.152 9.395 -1.447 1.00 71.25 C ATOM 1204 C GLU A 76 5.778 9.645 -2.098 1.00 52.33 C ATOM 1205 O GLU A 76 5.588 9.347 -3.279 1.00 41.02 O ATOM 1206 CB GLU A 76 8.248 10.252 -2.149 1.00 22.14 C ATOM 1207 CG GLU A 76 8.023 11.775 -2.064 1.00 24.34 C ATOM 1208 CD GLU A 76 9.064 12.594 -2.844 1.00 20.43 C ATOM 1209 OE1 GLU A 76 8.715 13.166 -3.908 1.00 42.42 O ATOM 1210 OE2 GLU A 76 10.232 12.669 -2.400 1.00 33.52 O ATOM 0 H GLU A 76 8.162 7.778 -2.306 1.00 73.05 H new ATOM 0 HA GLU A 76 7.097 9.680 -0.396 1.00 71.25 H new ATOM 0 HB2 GLU A 76 9.215 10.015 -1.706 1.00 22.14 H new ATOM 0 HB3 GLU A 76 8.299 9.963 -3.199 1.00 22.14 H new ATOM 0 HG2 GLU A 76 7.029 12.009 -2.445 1.00 24.34 H new ATOM 0 HG3 GLU A 76 8.043 12.079 -1.018 1.00 24.34 H new ATOM 1217 N LEU A 77 4.821 10.151 -1.307 1.00 11.10 N ATOM 1218 CA LEU A 77 3.499 10.579 -1.796 1.00 52.15 C ATOM 1219 C LEU A 77 3.372 12.089 -1.584 1.00 65.04 C ATOM 1220 O LEU A 77 3.445 12.567 -0.448 1.00 54.41 O ATOM 1221 CB LEU A 77 2.332 9.849 -1.065 1.00 10.12 C ATOM 1222 CG LEU A 77 2.195 8.306 -1.298 1.00 42.44 C ATOM 1223 CD1 LEU A 77 3.250 7.506 -0.528 1.00 61.24 C ATOM 1224 CD2 LEU A 77 0.779 7.837 -0.929 1.00 51.03 C ATOM 0 H LEU A 77 4.942 10.276 -0.302 1.00 11.10 H new ATOM 0 HA LEU A 77 3.425 10.323 -2.853 1.00 52.15 H new ATOM 0 HB2 LEU A 77 2.444 10.020 0.006 1.00 10.12 H new ATOM 0 HB3 LEU A 77 1.397 10.321 -1.367 1.00 10.12 H new ATOM 0 HG LEU A 77 2.368 8.119 -2.358 1.00 42.44 H new ATOM 0 HD11 LEU A 77 3.113 6.442 -0.722 1.00 61.24 H new ATOM 0 HD12 LEU A 77 4.245 7.809 -0.853 1.00 61.24 H new ATOM 0 HD13 LEU A 77 3.143 7.697 0.540 1.00 61.24 H new ATOM 0 HD21 LEU A 77 0.697 6.763 -1.095 1.00 51.03 H new ATOM 0 HD22 LEU A 77 0.585 8.058 0.121 1.00 51.03 H new ATOM 0 HD23 LEU A 77 0.050 8.357 -1.550 1.00 51.03 H new ATOM 1236 N GLU A 78 3.194 12.834 -2.673 1.00 45.12 N ATOM 1237 CA GLU A 78 3.019 14.287 -2.620 1.00 23.33 C ATOM 1238 C GLU A 78 1.518 14.585 -2.449 1.00 15.24 C ATOM 1239 O GLU A 78 0.723 14.436 -3.388 1.00 53.12 O ATOM 1240 CB GLU A 78 3.608 14.921 -3.909 1.00 10.32 C ATOM 1241 CG GLU A 78 3.809 16.440 -3.871 1.00 1.21 C ATOM 1242 CD GLU A 78 4.517 16.964 -5.129 1.00 61.04 C ATOM 1243 OE1 GLU A 78 5.758 16.816 -5.218 1.00 22.02 O ATOM 1244 OE2 GLU A 78 3.841 17.508 -6.037 1.00 34.11 O ATOM 0 H GLU A 78 3.167 12.449 -3.617 1.00 45.12 H new ATOM 0 HA GLU A 78 3.551 14.724 -1.775 1.00 23.33 H new ATOM 0 HB2 GLU A 78 4.569 14.451 -4.116 1.00 10.32 H new ATOM 0 HB3 GLU A 78 2.949 14.681 -4.744 1.00 10.32 H new ATOM 0 HG2 GLU A 78 2.841 16.930 -3.770 1.00 1.21 H new ATOM 0 HG3 GLU A 78 4.394 16.705 -2.990 1.00 1.21 H new ATOM 1251 N GLU A 79 1.147 14.944 -1.211 1.00 10.12 N ATOM 1252 CA GLU A 79 -0.241 15.224 -0.809 1.00 72.30 C ATOM 1253 C GLU A 79 -0.573 16.703 -1.056 1.00 74.33 C ATOM 1254 O GLU A 79 0.145 17.582 -0.591 1.00 70.24 O ATOM 1255 CB GLU A 79 -0.454 14.885 0.692 1.00 72.45 C ATOM 1256 CG GLU A 79 -0.011 13.474 1.118 1.00 44.34 C ATOM 1257 CD GLU A 79 -0.458 13.148 2.554 1.00 22.44 C ATOM 1258 OE1 GLU A 79 -1.494 12.471 2.728 1.00 41.43 O ATOM 1259 OE2 GLU A 79 0.191 13.628 3.514 1.00 0.23 O ATOM 0 H GLU A 79 1.814 15.050 -0.447 1.00 10.12 H new ATOM 0 HA GLU A 79 -0.904 14.600 -1.408 1.00 72.30 H new ATOM 0 HB2 GLU A 79 0.089 15.615 1.293 1.00 72.45 H new ATOM 0 HB3 GLU A 79 -1.512 15.002 0.927 1.00 72.45 H new ATOM 0 HG2 GLU A 79 -0.429 12.738 0.431 1.00 44.34 H new ATOM 0 HG3 GLU A 79 1.074 13.396 1.048 1.00 44.34 H new ATOM 1266 N THR A 80 -1.652 16.960 -1.796 1.00 3.51 N ATOM 1267 CA THR A 80 -2.194 18.299 -2.021 1.00 23.34 C ATOM 1268 C THR A 80 -3.593 18.364 -1.387 1.00 33.45 C ATOM 1269 O THR A 80 -4.536 17.726 -1.883 1.00 14.31 O ATOM 1270 CB THR A 80 -2.263 18.597 -3.549 1.00 50.44 C ATOM 1271 OG1 THR A 80 -0.985 18.321 -4.142 1.00 21.42 O ATOM 1272 CG2 THR A 80 -2.653 20.056 -3.838 1.00 5.21 C ATOM 0 H THR A 80 -2.184 16.227 -2.265 1.00 3.51 H new ATOM 0 HA THR A 80 -1.551 19.051 -1.564 1.00 23.34 H new ATOM 0 HB THR A 80 -3.034 17.957 -3.979 1.00 50.44 H new ATOM 0 HG1 THR A 80 -1.024 18.506 -5.104 1.00 21.42 H new ATOM 0 HG21 THR A 80 -2.688 20.217 -4.916 1.00 5.21 H new ATOM 0 HG22 THR A 80 -3.633 20.263 -3.408 1.00 5.21 H new ATOM 0 HG23 THR A 80 -1.914 20.725 -3.396 1.00 5.21 H new ATOM 1280 N THR A 81 -3.699 19.090 -0.267 1.00 44.55 N ATOM 1281 CA THR A 81 -4.938 19.220 0.511 1.00 43.12 C ATOM 1282 C THR A 81 -4.991 20.620 1.158 1.00 21.42 C ATOM 1283 O THR A 81 -3.961 21.133 1.623 1.00 75.33 O ATOM 1284 CB THR A 81 -5.066 18.080 1.595 1.00 44.53 C ATOM 1285 OG1 THR A 81 -6.291 18.217 2.335 1.00 1.21 O ATOM 1286 CG2 THR A 81 -3.874 18.045 2.572 1.00 25.22 C ATOM 0 H THR A 81 -2.917 19.610 0.130 1.00 44.55 H new ATOM 0 HA THR A 81 -5.788 19.107 -0.162 1.00 43.12 H new ATOM 0 HB THR A 81 -5.069 17.137 1.048 1.00 44.53 H new ATOM 0 HG1 THR A 81 -6.281 17.605 3.100 1.00 1.21 H new ATOM 0 HG21 THR A 81 -4.019 17.241 3.294 1.00 25.22 H new ATOM 0 HG22 THR A 81 -2.953 17.872 2.016 1.00 25.22 H new ATOM 0 HG23 THR A 81 -3.807 18.997 3.098 1.00 25.22 H new ATOM 1294 N GLY A 82 -6.186 21.248 1.130 1.00 2.34 N ATOM 1295 CA GLY A 82 -6.386 22.599 1.668 1.00 24.34 C ATOM 1296 C GLY A 82 -5.689 23.699 0.857 1.00 23.24 C ATOM 1297 O GLY A 82 -5.588 24.836 1.323 1.00 3.10 O ATOM 0 H GLY A 82 -7.030 20.832 0.736 1.00 2.34 H new ATOM 0 HA2 GLY A 82 -7.455 22.810 1.705 1.00 24.34 H new ATOM 0 HA3 GLY A 82 -6.019 22.629 2.694 1.00 24.34 H new ATOM 1301 N GLY A 83 -5.207 23.357 -0.358 1.00 61.15 N ATOM 1302 CA GLY A 83 -4.401 24.267 -1.183 1.00 53.14 C ATOM 1303 C GLY A 83 -2.901 23.986 -1.067 1.00 13.15 C ATOM 1304 O GLY A 83 -2.165 24.143 -2.041 1.00 33.51 O ATOM 0 H GLY A 83 -5.368 22.446 -0.788 1.00 61.15 H new ATOM 0 HA2 GLY A 83 -4.706 24.174 -2.225 1.00 53.14 H new ATOM 0 HA3 GLY A 83 -4.599 25.296 -0.884 1.00 53.14 H new ATOM 1308 N THR A 84 -2.457 23.540 0.123 1.00 2.00 N ATOM 1309 CA THR A 84 -1.030 23.294 0.421 1.00 13.41 C ATOM 1310 C THR A 84 -0.580 21.893 -0.055 1.00 22.14 C ATOM 1311 O THR A 84 -1.350 20.931 -0.003 1.00 52.43 O ATOM 1312 CB THR A 84 -0.766 23.453 1.956 1.00 1.32 C ATOM 1313 OG1 THR A 84 -1.792 22.778 2.699 1.00 32.33 O ATOM 1314 CG2 THR A 84 -0.710 24.928 2.391 1.00 12.30 C ATOM 0 H THR A 84 -3.077 23.339 0.907 1.00 2.00 H new ATOM 0 HA THR A 84 -0.444 24.033 -0.125 1.00 13.41 H new ATOM 0 HB THR A 84 0.207 23.009 2.163 1.00 1.32 H new ATOM 0 HG1 THR A 84 -2.174 22.061 2.151 1.00 32.33 H new ATOM 0 HG21 THR A 84 -0.525 24.984 3.464 1.00 12.30 H new ATOM 0 HG22 THR A 84 0.094 25.435 1.857 1.00 12.30 H new ATOM 0 HG23 THR A 84 -1.659 25.411 2.161 1.00 12.30 H new ATOM 1322 N THR A 85 0.683 21.803 -0.523 1.00 31.33 N ATOM 1323 CA THR A 85 1.285 20.559 -1.040 1.00 44.52 C ATOM 1324 C THR A 85 2.555 20.191 -0.232 1.00 73.33 C ATOM 1325 O THR A 85 3.430 21.040 -0.023 1.00 0.13 O ATOM 1326 CB THR A 85 1.626 20.711 -2.558 1.00 4.11 C ATOM 1327 OG1 THR A 85 0.471 21.205 -3.249 1.00 53.23 O ATOM 1328 CG2 THR A 85 2.049 19.383 -3.199 1.00 64.41 C ATOM 0 H THR A 85 1.318 22.601 -0.552 1.00 31.33 H new ATOM 0 HA THR A 85 0.562 19.752 -0.926 1.00 44.52 H new ATOM 0 HB THR A 85 2.464 21.404 -2.638 1.00 4.11 H new ATOM 0 HG1 THR A 85 0.678 21.304 -4.202 1.00 53.23 H new ATOM 0 HG21 THR A 85 2.275 19.543 -4.253 1.00 64.41 H new ATOM 0 HG22 THR A 85 2.935 19.000 -2.692 1.00 64.41 H new ATOM 0 HG23 THR A 85 1.238 18.660 -3.108 1.00 64.41 H new ATOM 1336 N THR A 86 2.636 18.926 0.229 1.00 51.14 N ATOM 1337 CA THR A 86 3.755 18.423 1.051 1.00 44.14 C ATOM 1338 C THR A 86 4.071 16.962 0.678 1.00 53.42 C ATOM 1339 O THR A 86 3.155 16.143 0.559 1.00 21.04 O ATOM 1340 CB THR A 86 3.389 18.520 2.577 1.00 42.33 C ATOM 1341 OG1 THR A 86 3.130 19.893 2.916 1.00 4.13 O ATOM 1342 CG2 THR A 86 4.492 17.971 3.509 1.00 42.23 C ATOM 0 H THR A 86 1.923 18.221 0.040 1.00 51.14 H new ATOM 0 HA THR A 86 4.636 19.035 0.858 1.00 44.14 H new ATOM 0 HB THR A 86 2.505 17.900 2.729 1.00 42.33 H new ATOM 0 HG1 THR A 86 2.900 19.957 3.866 1.00 4.13 H new ATOM 0 HG21 THR A 86 4.173 18.069 4.547 1.00 42.23 H new ATOM 0 HG22 THR A 86 4.670 16.920 3.282 1.00 42.23 H new ATOM 0 HG23 THR A 86 5.411 18.536 3.357 1.00 42.23 H new ATOM 1350 N ASN A 87 5.366 16.652 0.485 1.00 65.11 N ATOM 1351 CA ASN A 87 5.827 15.279 0.210 1.00 60.34 C ATOM 1352 C ASN A 87 5.933 14.502 1.532 1.00 61.52 C ATOM 1353 O ASN A 87 6.883 14.688 2.302 1.00 41.44 O ATOM 1354 CB ASN A 87 7.196 15.310 -0.522 1.00 32.22 C ATOM 1355 CG ASN A 87 7.124 16.008 -1.882 1.00 4.42 C ATOM 1356 OD1 ASN A 87 7.256 17.228 -1.976 1.00 11.23 O ATOM 1357 ND2 ASN A 87 6.934 15.249 -2.945 1.00 34.53 N ATOM 0 H ASN A 87 6.118 17.341 0.515 1.00 65.11 H new ATOM 0 HA ASN A 87 5.108 14.777 -0.438 1.00 60.34 H new ATOM 0 HB2 ASN A 87 7.927 15.820 0.105 1.00 32.22 H new ATOM 0 HB3 ASN A 87 7.552 14.289 -0.661 1.00 32.22 H new ATOM 0 HD21 ASN A 87 6.894 15.671 -3.873 1.00 34.53 H new ATOM 0 HD22 ASN A 87 6.828 14.240 -2.839 1.00 34.53 H new ATOM 1364 N THR A 88 4.927 13.663 1.791 1.00 32.12 N ATOM 1365 CA THR A 88 4.878 12.770 2.950 1.00 0.13 C ATOM 1366 C THR A 88 5.254 11.351 2.510 1.00 32.50 C ATOM 1367 O THR A 88 4.614 10.775 1.624 1.00 13.13 O ATOM 1368 CB THR A 88 3.457 12.778 3.590 1.00 72.55 C ATOM 1369 OG1 THR A 88 3.111 14.118 3.967 1.00 75.31 O ATOM 1370 CG2 THR A 88 3.368 11.870 4.826 1.00 75.41 C ATOM 0 H THR A 88 4.108 13.584 1.189 1.00 32.12 H new ATOM 0 HA THR A 88 5.588 13.119 3.700 1.00 0.13 H new ATOM 0 HB THR A 88 2.761 12.394 2.844 1.00 72.55 H new ATOM 0 HG1 THR A 88 2.139 14.231 3.916 1.00 75.31 H new ATOM 0 HG21 THR A 88 2.359 11.910 5.235 1.00 75.41 H new ATOM 0 HG22 THR A 88 3.604 10.844 4.542 1.00 75.41 H new ATOM 0 HG23 THR A 88 4.079 12.210 5.579 1.00 75.41 H new ATOM 1378 N THR A 89 6.289 10.798 3.135 1.00 25.40 N ATOM 1379 CA THR A 89 6.784 9.467 2.820 1.00 65.42 C ATOM 1380 C THR A 89 6.032 8.427 3.670 1.00 3.33 C ATOM 1381 O THR A 89 5.954 8.554 4.890 1.00 61.22 O ATOM 1382 CB THR A 89 8.319 9.382 3.088 1.00 1.44 C ATOM 1383 OG1 THR A 89 8.993 10.458 2.404 1.00 33.00 O ATOM 1384 CG2 THR A 89 8.910 8.041 2.621 1.00 41.24 C ATOM 0 H THR A 89 6.809 11.265 3.878 1.00 25.40 H new ATOM 0 HA THR A 89 6.610 9.259 1.764 1.00 65.42 H new ATOM 0 HB THR A 89 8.469 9.463 4.165 1.00 1.44 H new ATOM 0 HG1 THR A 89 9.956 10.402 2.576 1.00 33.00 H new ATOM 0 HG21 THR A 89 9.980 8.024 2.826 1.00 41.24 H new ATOM 0 HG22 THR A 89 8.425 7.224 3.155 1.00 41.24 H new ATOM 0 HG23 THR A 89 8.744 7.923 1.550 1.00 41.24 H new ATOM 1392 N TYR A 90 5.444 7.429 3.016 1.00 23.11 N ATOM 1393 CA TYR A 90 4.803 6.292 3.682 1.00 32.31 C ATOM 1394 C TYR A 90 5.731 5.085 3.541 1.00 2.13 C ATOM 1395 O TYR A 90 6.153 4.746 2.435 1.00 31.24 O ATOM 1396 CB TYR A 90 3.416 5.993 3.044 1.00 41.14 C ATOM 1397 CG TYR A 90 2.311 7.033 3.344 1.00 44.53 C ATOM 1398 CD1 TYR A 90 2.374 8.340 2.848 1.00 44.21 C ATOM 1399 CD2 TYR A 90 1.206 6.700 4.131 1.00 13.24 C ATOM 1400 CE1 TYR A 90 1.371 9.258 3.108 1.00 62.34 C ATOM 1401 CE2 TYR A 90 0.205 7.616 4.392 1.00 64.44 C ATOM 1402 CZ TYR A 90 0.299 8.894 3.888 1.00 74.40 C ATOM 1403 OH TYR A 90 -0.698 9.807 4.154 1.00 22.31 O ATOM 0 H TYR A 90 5.397 7.384 1.998 1.00 23.11 H new ATOM 0 HA TYR A 90 4.635 6.518 4.735 1.00 32.31 H new ATOM 0 HB2 TYR A 90 3.540 5.921 1.963 1.00 41.14 H new ATOM 0 HB3 TYR A 90 3.077 5.017 3.392 1.00 41.14 H new ATOM 0 HD1 TYR A 90 3.222 8.639 2.250 1.00 44.21 H new ATOM 0 HD2 TYR A 90 1.132 5.705 4.544 1.00 13.24 H new ATOM 0 HE1 TYR A 90 1.430 10.256 2.700 1.00 62.34 H new ATOM 0 HE2 TYR A 90 -0.648 7.331 4.989 1.00 64.44 H new ATOM 0 HH TYR A 90 -0.848 9.855 5.121 1.00 22.31 H new ATOM 1413 N GLU A 91 6.072 4.455 4.665 1.00 14.21 N ATOM 1414 CA GLU A 91 6.908 3.251 4.689 1.00 44.33 C ATOM 1415 C GLU A 91 6.033 2.071 5.126 1.00 51.42 C ATOM 1416 O GLU A 91 5.689 1.945 6.303 1.00 12.13 O ATOM 1417 CB GLU A 91 8.124 3.458 5.634 1.00 14.04 C ATOM 1418 CG GLU A 91 9.027 4.652 5.253 1.00 10.25 C ATOM 1419 CD GLU A 91 10.225 4.814 6.202 1.00 72.54 C ATOM 1420 OE1 GLU A 91 11.349 4.379 5.855 1.00 70.03 O ATOM 1421 OE2 GLU A 91 10.040 5.358 7.315 1.00 71.02 O ATOM 0 H GLU A 91 5.775 4.766 5.590 1.00 14.21 H new ATOM 0 HA GLU A 91 7.313 3.043 3.699 1.00 44.33 H new ATOM 0 HB2 GLU A 91 7.759 3.603 6.651 1.00 14.04 H new ATOM 0 HB3 GLU A 91 8.725 2.549 5.638 1.00 14.04 H new ATOM 0 HG2 GLU A 91 9.391 4.517 4.234 1.00 10.25 H new ATOM 0 HG3 GLU A 91 8.435 5.567 5.261 1.00 10.25 H new ATOM 1428 N LEU A 92 5.644 1.229 4.155 1.00 1.41 N ATOM 1429 CA LEU A 92 4.726 0.107 4.375 1.00 41.54 C ATOM 1430 C LEU A 92 5.543 -1.159 4.623 1.00 11.41 C ATOM 1431 O LEU A 92 6.207 -1.668 3.713 1.00 41.04 O ATOM 1432 CB LEU A 92 3.762 -0.078 3.165 1.00 11.34 C ATOM 1433 CG LEU A 92 2.751 1.083 2.896 1.00 45.01 C ATOM 1434 CD1 LEU A 92 3.447 2.332 2.333 1.00 31.21 C ATOM 1435 CD2 LEU A 92 1.599 0.631 1.976 1.00 22.23 C ATOM 0 H LEU A 92 5.962 1.311 3.189 1.00 1.41 H new ATOM 0 HA LEU A 92 4.107 0.315 5.247 1.00 41.54 H new ATOM 0 HB2 LEU A 92 4.364 -0.221 2.268 1.00 11.34 H new ATOM 0 HB3 LEU A 92 3.195 -0.996 3.318 1.00 11.34 H new ATOM 0 HG LEU A 92 2.321 1.355 3.860 1.00 45.01 H new ATOM 0 HD11 LEU A 92 2.708 3.114 2.161 1.00 31.21 H new ATOM 0 HD12 LEU A 92 4.191 2.687 3.046 1.00 31.21 H new ATOM 0 HD13 LEU A 92 3.937 2.082 1.392 1.00 31.21 H new ATOM 0 HD21 LEU A 92 0.916 1.465 1.812 1.00 22.23 H new ATOM 0 HD22 LEU A 92 2.005 0.300 1.020 1.00 22.23 H new ATOM 0 HD23 LEU A 92 1.060 -0.192 2.445 1.00 22.23 H new ATOM 1447 N ARG A 93 5.500 -1.645 5.862 1.00 73.45 N ATOM 1448 CA ARG A 93 6.241 -2.825 6.291 1.00 61.13 C ATOM 1449 C ARG A 93 5.383 -4.067 6.044 1.00 23.10 C ATOM 1450 O ARG A 93 4.476 -4.388 6.824 1.00 71.22 O ATOM 1451 CB ARG A 93 6.590 -2.709 7.799 1.00 62.44 C ATOM 1452 CG ARG A 93 7.507 -3.823 8.342 1.00 44.44 C ATOM 1453 CD ARG A 93 7.603 -3.805 9.881 1.00 50.04 C ATOM 1454 NE ARG A 93 6.306 -4.115 10.517 1.00 63.23 N ATOM 1455 CZ ARG A 93 5.996 -3.902 11.812 1.00 74.01 C ATOM 1456 NH1 ARG A 93 6.872 -3.345 12.656 1.00 44.11 N ATOM 1457 NH2 ARG A 93 4.800 -4.263 12.256 1.00 63.23 N ATOM 0 H ARG A 93 4.942 -1.223 6.604 1.00 73.45 H new ATOM 0 HA ARG A 93 7.169 -2.904 5.724 1.00 61.13 H new ATOM 0 HB2 ARG A 93 7.071 -1.746 7.972 1.00 62.44 H new ATOM 0 HB3 ARG A 93 5.663 -2.710 8.372 1.00 62.44 H new ATOM 0 HG2 ARG A 93 7.130 -4.792 8.015 1.00 44.44 H new ATOM 0 HG3 ARG A 93 8.504 -3.709 7.917 1.00 44.44 H new ATOM 0 HD2 ARG A 93 8.350 -4.529 10.207 1.00 50.04 H new ATOM 0 HD3 ARG A 93 7.945 -2.824 10.212 1.00 50.04 H new ATOM 0 HE ARG A 93 5.583 -4.525 9.926 1.00 63.23 H new ATOM 0 HH11 ARG A 93 7.797 -3.072 12.324 1.00 44.11 H new ATOM 0 HH12 ARG A 93 6.615 -3.194 13.631 1.00 44.11 H new ATOM 0 HH21 ARG A 93 4.129 -4.695 11.621 1.00 63.23 H new ATOM 0 HH22 ARG A 93 4.551 -4.109 13.233 1.00 63.23 H new ATOM 1471 N PHE A 94 5.672 -4.752 4.944 1.00 61.30 N ATOM 1472 CA PHE A 94 4.995 -5.984 4.577 1.00 33.13 C ATOM 1473 C PHE A 94 5.699 -7.154 5.266 1.00 14.35 C ATOM 1474 O PHE A 94 6.825 -7.541 4.915 1.00 75.44 O ATOM 1475 CB PHE A 94 4.986 -6.152 3.039 1.00 50.24 C ATOM 1476 CG PHE A 94 4.080 -5.151 2.332 1.00 45.52 C ATOM 1477 CD1 PHE A 94 4.563 -3.913 1.923 1.00 21.11 C ATOM 1478 CD2 PHE A 94 2.742 -5.452 2.086 1.00 23.53 C ATOM 1479 CE1 PHE A 94 3.742 -3.008 1.292 1.00 62.30 C ATOM 1480 CE2 PHE A 94 1.918 -4.543 1.451 1.00 24.34 C ATOM 1481 CZ PHE A 94 2.420 -3.322 1.055 1.00 44.20 C ATOM 0 H PHE A 94 6.389 -4.463 4.278 1.00 61.30 H new ATOM 0 HA PHE A 94 3.956 -5.955 4.905 1.00 33.13 H new ATOM 0 HB2 PHE A 94 6.003 -6.042 2.662 1.00 50.24 H new ATOM 0 HB3 PHE A 94 4.662 -7.163 2.792 1.00 50.24 H new ATOM 0 HD1 PHE A 94 5.597 -3.659 2.103 1.00 21.11 H new ATOM 0 HD2 PHE A 94 2.344 -6.407 2.395 1.00 23.53 H new ATOM 0 HE1 PHE A 94 4.133 -2.050 0.982 1.00 62.30 H new ATOM 0 HE2 PHE A 94 0.883 -4.789 1.265 1.00 24.34 H new ATOM 0 HZ PHE A 94 1.777 -2.610 0.558 1.00 44.20 H new ATOM 1491 N GLU A 95 5.003 -7.691 6.268 1.00 44.32 N ATOM 1492 CA GLU A 95 5.477 -8.787 7.106 1.00 63.12 C ATOM 1493 C GLU A 95 5.042 -10.101 6.458 1.00 4.24 C ATOM 1494 O GLU A 95 3.836 -10.372 6.319 1.00 20.02 O ATOM 1495 CB GLU A 95 4.899 -8.634 8.528 1.00 50.25 C ATOM 1496 CG GLU A 95 5.305 -7.317 9.222 1.00 53.42 C ATOM 1497 CD GLU A 95 4.347 -6.901 10.345 1.00 14.13 C ATOM 1498 OE1 GLU A 95 3.490 -6.019 10.105 1.00 74.02 O ATOM 1499 OE2 GLU A 95 4.453 -7.438 11.473 1.00 2.34 O ATOM 0 H GLU A 95 4.071 -7.366 6.524 1.00 44.32 H new ATOM 0 HA GLU A 95 6.564 -8.777 7.191 1.00 63.12 H new ATOM 0 HB2 GLU A 95 3.812 -8.688 8.477 1.00 50.25 H new ATOM 0 HB3 GLU A 95 5.231 -9.474 9.138 1.00 50.25 H new ATOM 0 HG2 GLU A 95 6.309 -7.425 9.632 1.00 53.42 H new ATOM 0 HG3 GLU A 95 5.349 -6.521 8.478 1.00 53.42 H new ATOM 1506 N VAL A 96 6.033 -10.894 6.056 1.00 44.15 N ATOM 1507 CA VAL A 96 5.828 -12.080 5.219 1.00 54.54 C ATOM 1508 C VAL A 96 5.476 -13.301 6.077 1.00 31.21 C ATOM 1509 O VAL A 96 5.963 -13.445 7.209 1.00 14.14 O ATOM 1510 CB VAL A 96 7.106 -12.352 4.343 1.00 4.11 C ATOM 1511 CG1 VAL A 96 7.495 -11.069 3.578 1.00 3.44 C ATOM 1512 CG2 VAL A 96 8.296 -12.874 5.185 1.00 62.33 C ATOM 0 H VAL A 96 7.009 -10.732 6.303 1.00 44.15 H new ATOM 0 HA VAL A 96 4.987 -11.893 4.551 1.00 54.54 H new ATOM 0 HB VAL A 96 6.861 -13.139 3.629 1.00 4.11 H new ATOM 0 HG11 VAL A 96 8.381 -11.261 2.972 1.00 3.44 H new ATOM 0 HG12 VAL A 96 6.671 -10.767 2.931 1.00 3.44 H new ATOM 0 HG13 VAL A 96 7.708 -10.271 4.290 1.00 3.44 H new ATOM 0 HG21 VAL A 96 9.154 -13.047 4.535 1.00 62.33 H new ATOM 0 HG22 VAL A 96 8.558 -12.135 5.942 1.00 62.33 H new ATOM 0 HG23 VAL A 96 8.016 -13.808 5.671 1.00 62.33 H new ATOM 1522 N ASP A 97 4.613 -14.156 5.533 1.00 4.13 N ATOM 1523 CA ASP A 97 4.176 -15.404 6.180 1.00 1.23 C ATOM 1524 C ASP A 97 4.392 -16.553 5.183 1.00 20.32 C ATOM 1525 O ASP A 97 3.468 -16.964 4.476 1.00 74.22 O ATOM 1526 CB ASP A 97 2.691 -15.274 6.612 1.00 20.33 C ATOM 1527 CG ASP A 97 2.146 -16.520 7.327 1.00 71.42 C ATOM 1528 OD1 ASP A 97 1.466 -17.347 6.681 1.00 60.51 O ATOM 1529 OD2 ASP A 97 2.400 -16.676 8.540 1.00 43.22 O ATOM 0 H ASP A 97 4.188 -14.005 4.618 1.00 4.13 H new ATOM 0 HA ASP A 97 4.754 -15.608 7.081 1.00 1.23 H new ATOM 0 HB2 ASP A 97 2.588 -14.413 7.272 1.00 20.33 H new ATOM 0 HB3 ASP A 97 2.081 -15.075 5.731 1.00 20.33 H new ATOM 1534 N GLY A 98 5.652 -17.004 5.088 1.00 55.31 N ATOM 1535 CA GLY A 98 6.056 -17.999 4.100 1.00 13.20 C ATOM 1536 C GLY A 98 6.043 -17.428 2.685 1.00 42.21 C ATOM 1537 O GLY A 98 6.614 -16.359 2.448 1.00 54.55 O ATOM 0 H GLY A 98 6.410 -16.688 5.692 1.00 55.31 H new ATOM 0 HA2 GLY A 98 7.056 -18.361 4.337 1.00 13.20 H new ATOM 0 HA3 GLY A 98 5.385 -18.857 4.152 1.00 13.20 H new ATOM 1541 N ASP A 99 5.347 -18.115 1.762 1.00 72.01 N ATOM 1542 CA ASP A 99 5.280 -17.726 0.333 1.00 44.23 C ATOM 1543 C ASP A 99 4.265 -16.589 0.064 1.00 34.43 C ATOM 1544 O ASP A 99 4.158 -16.114 -1.072 1.00 41.10 O ATOM 1545 CB ASP A 99 4.925 -18.949 -0.550 1.00 52.51 C ATOM 1546 CG ASP A 99 5.963 -20.084 -0.470 1.00 33.12 C ATOM 1547 OD1 ASP A 99 5.676 -21.132 0.162 1.00 24.45 O ATOM 1548 OD2 ASP A 99 7.077 -19.926 -1.025 1.00 12.41 O ATOM 0 H ASP A 99 4.813 -18.956 1.981 1.00 72.01 H new ATOM 0 HA ASP A 99 6.270 -17.352 0.073 1.00 44.23 H new ATOM 0 HB2 ASP A 99 3.951 -19.335 -0.248 1.00 52.51 H new ATOM 0 HB3 ASP A 99 4.832 -18.625 -1.586 1.00 52.51 H new ATOM 1553 N THR A 100 3.512 -16.167 1.091 1.00 50.33 N ATOM 1554 CA THR A 100 2.501 -15.103 0.950 1.00 44.52 C ATOM 1555 C THR A 100 2.615 -14.103 2.115 1.00 12.35 C ATOM 1556 O THR A 100 2.746 -14.500 3.271 1.00 14.31 O ATOM 1557 CB THR A 100 1.056 -15.713 0.906 1.00 1.35 C ATOM 1558 OG1 THR A 100 1.009 -16.789 -0.050 1.00 21.23 O ATOM 1559 CG2 THR A 100 -0.011 -14.668 0.528 1.00 52.33 C ATOM 0 H THR A 100 3.584 -16.548 2.035 1.00 50.33 H new ATOM 0 HA THR A 100 2.684 -14.579 0.012 1.00 44.52 H new ATOM 0 HB THR A 100 0.833 -16.077 1.909 1.00 1.35 H new ATOM 0 HG1 THR A 100 0.105 -17.167 -0.073 1.00 21.23 H new ATOM 0 HG21 THR A 100 -0.993 -15.140 0.511 1.00 52.33 H new ATOM 0 HG22 THR A 100 -0.008 -13.863 1.263 1.00 52.33 H new ATOM 0 HG23 THR A 100 0.212 -14.260 -0.458 1.00 52.33 H new ATOM 1567 N ILE A 101 2.573 -12.807 1.790 1.00 44.13 N ATOM 1568 CA ILE A 101 2.542 -11.733 2.785 1.00 25.23 C ATOM 1569 C ILE A 101 1.116 -11.642 3.347 1.00 61.31 C ATOM 1570 O ILE A 101 0.159 -11.652 2.574 1.00 23.23 O ATOM 1571 CB ILE A 101 2.946 -10.358 2.133 1.00 32.10 C ATOM 1572 CG1 ILE A 101 4.285 -10.490 1.346 1.00 30.31 C ATOM 1573 CG2 ILE A 101 3.033 -9.244 3.198 1.00 73.21 C ATOM 1574 CD1 ILE A 101 4.684 -9.260 0.549 1.00 45.44 C ATOM 0 H ILE A 101 2.560 -12.473 0.826 1.00 44.13 H new ATOM 0 HA ILE A 101 3.254 -11.951 3.581 1.00 25.23 H new ATOM 0 HB ILE A 101 2.167 -10.078 1.424 1.00 32.10 H new ATOM 0 HG12 ILE A 101 5.083 -10.722 2.052 1.00 30.31 H new ATOM 0 HG13 ILE A 101 4.207 -11.337 0.664 1.00 30.31 H new ATOM 0 HG21 ILE A 101 3.314 -8.305 2.720 1.00 73.21 H new ATOM 0 HG22 ILE A 101 2.064 -9.129 3.684 1.00 73.21 H new ATOM 0 HG23 ILE A 101 3.783 -9.511 3.943 1.00 73.21 H new ATOM 0 HD11 ILE A 101 5.628 -9.449 0.037 1.00 45.44 H new ATOM 0 HD12 ILE A 101 3.911 -9.036 -0.186 1.00 45.44 H new ATOM 0 HD13 ILE A 101 4.800 -8.412 1.223 1.00 45.44 H new ATOM 1586 N ARG A 102 0.958 -11.585 4.676 1.00 73.12 N ATOM 1587 CA ARG A 102 -0.382 -11.531 5.310 1.00 61.13 C ATOM 1588 C ARG A 102 -0.567 -10.245 6.137 1.00 4.23 C ATOM 1589 O ARG A 102 -1.688 -9.940 6.560 1.00 71.33 O ATOM 1590 CB ARG A 102 -0.635 -12.796 6.190 1.00 73.11 C ATOM 1591 CG ARG A 102 -0.561 -14.143 5.429 1.00 35.31 C ATOM 1592 CD ARG A 102 -1.657 -14.317 4.356 1.00 74.53 C ATOM 1593 NE ARG A 102 -3.002 -14.499 4.946 1.00 61.43 N ATOM 1594 CZ ARG A 102 -4.114 -14.837 4.259 1.00 62.43 C ATOM 1595 NH1 ARG A 102 -4.076 -15.027 2.942 1.00 10.11 N ATOM 1596 NH2 ARG A 102 -5.274 -14.955 4.901 1.00 12.23 N ATOM 0 H ARG A 102 1.734 -11.575 5.338 1.00 73.12 H new ATOM 0 HA ARG A 102 -1.121 -11.517 4.509 1.00 61.13 H new ATOM 0 HB2 ARG A 102 0.096 -12.811 6.998 1.00 73.11 H new ATOM 0 HB3 ARG A 102 -1.619 -12.709 6.652 1.00 73.11 H new ATOM 0 HG2 ARG A 102 0.416 -14.227 4.953 1.00 35.31 H new ATOM 0 HG3 ARG A 102 -0.637 -14.959 6.147 1.00 35.31 H new ATOM 0 HD2 ARG A 102 -1.665 -13.444 3.704 1.00 74.53 H new ATOM 0 HD3 ARG A 102 -1.417 -15.178 3.732 1.00 74.53 H new ATOM 0 HE ARG A 102 -3.096 -14.358 5.952 1.00 61.43 H new ATOM 0 HH11 ARG A 102 -3.197 -14.918 2.436 1.00 10.11 H new ATOM 0 HH12 ARG A 102 -4.926 -15.282 2.439 1.00 10.11 H new ATOM 0 HH21 ARG A 102 -5.319 -14.790 5.907 1.00 12.23 H new ATOM 0 HH22 ARG A 102 -6.118 -15.210 4.387 1.00 12.23 H new ATOM 1610 N ARG A 103 0.519 -9.479 6.350 1.00 52.44 N ATOM 1611 CA ARG A 103 0.496 -8.249 7.178 1.00 52.43 C ATOM 1612 C ARG A 103 1.141 -7.059 6.441 1.00 74.02 C ATOM 1613 O ARG A 103 2.040 -7.241 5.616 1.00 23.11 O ATOM 1614 CB ARG A 103 1.239 -8.498 8.527 1.00 74.43 C ATOM 1615 CG ARG A 103 0.447 -9.286 9.587 1.00 23.53 C ATOM 1616 CD ARG A 103 -0.841 -8.568 10.019 1.00 51.40 C ATOM 1617 NE ARG A 103 -1.397 -9.119 11.264 1.00 42.14 N ATOM 1618 CZ ARG A 103 -1.954 -8.386 12.240 1.00 42.51 C ATOM 1619 NH1 ARG A 103 -2.039 -7.055 12.131 1.00 53.23 N ATOM 1620 NH2 ARG A 103 -2.428 -8.990 13.316 1.00 15.24 N ATOM 0 H ARG A 103 1.436 -9.690 5.957 1.00 52.44 H new ATOM 0 HA ARG A 103 -0.547 -8.000 7.375 1.00 52.43 H new ATOM 0 HB2 ARG A 103 2.165 -9.034 8.318 1.00 74.43 H new ATOM 0 HB3 ARG A 103 1.518 -7.533 8.951 1.00 74.43 H new ATOM 0 HG2 ARG A 103 0.194 -10.269 9.190 1.00 23.53 H new ATOM 0 HG3 ARG A 103 1.078 -9.448 10.461 1.00 23.53 H new ATOM 0 HD2 ARG A 103 -0.634 -7.506 10.155 1.00 51.40 H new ATOM 0 HD3 ARG A 103 -1.583 -8.649 9.225 1.00 51.40 H new ATOM 0 HE ARG A 103 -1.356 -10.130 11.395 1.00 42.14 H new ATOM 0 HH11 ARG A 103 -1.678 -6.587 11.299 1.00 53.23 H new ATOM 0 HH12 ARG A 103 -2.465 -6.508 12.879 1.00 53.23 H new ATOM 0 HH21 ARG A 103 -2.369 -10.005 13.399 1.00 15.24 H new ATOM 0 HH22 ARG A 103 -2.853 -8.441 14.063 1.00 15.24 H new ATOM 1634 N VAL A 104 0.653 -5.846 6.770 1.00 4.23 N ATOM 1635 CA VAL A 104 1.203 -4.564 6.285 1.00 21.34 C ATOM 1636 C VAL A 104 1.053 -3.488 7.388 1.00 72.02 C ATOM 1637 O VAL A 104 -0.048 -3.266 7.904 1.00 3.40 O ATOM 1638 CB VAL A 104 0.508 -4.087 4.943 1.00 5.42 C ATOM 1639 CG1 VAL A 104 -1.036 -4.082 5.044 1.00 32.33 C ATOM 1640 CG2 VAL A 104 1.044 -2.704 4.482 1.00 20.21 C ATOM 0 H VAL A 104 -0.148 -5.728 7.391 1.00 4.23 H new ATOM 0 HA VAL A 104 2.259 -4.713 6.059 1.00 21.34 H new ATOM 0 HB VAL A 104 0.773 -4.820 4.182 1.00 5.42 H new ATOM 0 HG11 VAL A 104 -1.461 -3.747 4.098 1.00 32.33 H new ATOM 0 HG12 VAL A 104 -1.389 -5.089 5.265 1.00 32.33 H new ATOM 0 HG13 VAL A 104 -1.346 -3.406 5.841 1.00 32.33 H new ATOM 0 HG21 VAL A 104 0.545 -2.410 3.559 1.00 20.21 H new ATOM 0 HG22 VAL A 104 0.846 -1.961 5.255 1.00 20.21 H new ATOM 0 HG23 VAL A 104 2.118 -2.770 4.308 1.00 20.21 H new ATOM 1650 N THR A 105 2.168 -2.848 7.766 1.00 54.32 N ATOM 1651 CA THR A 105 2.185 -1.750 8.739 1.00 41.25 C ATOM 1652 C THR A 105 2.557 -0.450 8.016 1.00 63.12 C ATOM 1653 O THR A 105 3.719 -0.230 7.674 1.00 53.42 O ATOM 1654 CB THR A 105 3.205 -2.049 9.882 1.00 34.22 C ATOM 1655 OG1 THR A 105 2.847 -3.284 10.516 1.00 63.20 O ATOM 1656 CG2 THR A 105 3.263 -0.929 10.939 1.00 23.43 C ATOM 0 H THR A 105 3.091 -3.081 7.401 1.00 54.32 H new ATOM 0 HA THR A 105 1.197 -1.647 9.188 1.00 41.25 H new ATOM 0 HB THR A 105 4.195 -2.114 9.430 1.00 34.22 H new ATOM 0 HG1 THR A 105 3.241 -4.032 10.021 1.00 63.20 H new ATOM 0 HG21 THR A 105 3.989 -1.192 11.708 1.00 23.43 H new ATOM 0 HG22 THR A 105 3.561 0.005 10.463 1.00 23.43 H new ATOM 0 HG23 THR A 105 2.280 -0.807 11.394 1.00 23.43 H new ATOM 1664 N VAL A 106 1.567 0.415 7.792 1.00 71.33 N ATOM 1665 CA VAL A 106 1.768 1.671 7.063 1.00 63.23 C ATOM 1666 C VAL A 106 2.241 2.742 8.057 1.00 34.44 C ATOM 1667 O VAL A 106 1.459 3.209 8.889 1.00 42.55 O ATOM 1668 CB VAL A 106 0.452 2.138 6.327 1.00 72.05 C ATOM 1669 CG1 VAL A 106 0.716 3.391 5.466 1.00 14.14 C ATOM 1670 CG2 VAL A 106 -0.144 0.992 5.475 1.00 24.12 C ATOM 0 H VAL A 106 0.608 0.268 8.108 1.00 71.33 H new ATOM 0 HA VAL A 106 2.522 1.516 6.291 1.00 63.23 H new ATOM 0 HB VAL A 106 -0.282 2.404 7.088 1.00 72.05 H new ATOM 0 HG11 VAL A 106 -0.206 3.692 4.970 1.00 14.14 H new ATOM 0 HG12 VAL A 106 1.067 4.203 6.103 1.00 14.14 H new ATOM 0 HG13 VAL A 106 1.474 3.164 4.716 1.00 14.14 H new ATOM 0 HG21 VAL A 106 -1.050 1.341 4.979 1.00 24.12 H new ATOM 0 HG22 VAL A 106 0.583 0.680 4.725 1.00 24.12 H new ATOM 0 HG23 VAL A 106 -0.386 0.147 6.120 1.00 24.12 H new ATOM 1680 N THR A 107 3.537 3.069 8.002 1.00 3.42 N ATOM 1681 CA THR A 107 4.162 4.052 8.894 1.00 4.41 C ATOM 1682 C THR A 107 4.298 5.395 8.158 1.00 22.45 C ATOM 1683 O THR A 107 5.147 5.541 7.268 1.00 15.01 O ATOM 1684 CB THR A 107 5.559 3.538 9.376 1.00 72.23 C ATOM 1685 OG1 THR A 107 5.411 2.223 9.943 1.00 23.12 O ATOM 1686 CG2 THR A 107 6.204 4.473 10.421 1.00 32.02 C ATOM 0 H THR A 107 4.186 2.656 7.332 1.00 3.42 H new ATOM 0 HA THR A 107 3.534 4.193 9.774 1.00 4.41 H new ATOM 0 HB THR A 107 6.217 3.514 8.507 1.00 72.23 H new ATOM 0 HG1 THR A 107 6.284 1.897 10.245 1.00 23.12 H new ATOM 0 HG21 THR A 107 7.171 4.070 10.722 1.00 32.02 H new ATOM 0 HG22 THR A 107 6.342 5.463 9.987 1.00 32.02 H new ATOM 0 HG23 THR A 107 5.555 4.547 11.293 1.00 32.02 H new ATOM 1694 N GLN A 108 3.448 6.362 8.516 1.00 55.00 N ATOM 1695 CA GLN A 108 3.427 7.683 7.874 1.00 34.03 C ATOM 1696 C GLN A 108 4.490 8.591 8.522 1.00 31.33 C ATOM 1697 O GLN A 108 4.474 8.810 9.736 1.00 74.05 O ATOM 1698 CB GLN A 108 2.015 8.314 7.991 1.00 54.32 C ATOM 1699 CG GLN A 108 1.885 9.729 7.386 1.00 35.03 C ATOM 1700 CD GLN A 108 0.463 10.295 7.424 1.00 53.33 C ATOM 1701 OE1 GLN A 108 -0.514 9.558 7.323 1.00 22.31 O ATOM 1702 NE2 GLN A 108 0.334 11.603 7.564 1.00 42.53 N ATOM 0 H GLN A 108 2.756 6.253 9.257 1.00 55.00 H new ATOM 0 HA GLN A 108 3.661 7.573 6.815 1.00 34.03 H new ATOM 0 HB2 GLN A 108 1.297 7.657 7.500 1.00 54.32 H new ATOM 0 HB3 GLN A 108 1.738 8.358 9.044 1.00 54.32 H new ATOM 0 HG2 GLN A 108 2.549 10.405 7.925 1.00 35.03 H new ATOM 0 HG3 GLN A 108 2.227 9.703 6.351 1.00 35.03 H new ATOM 0 HE21 GLN A 108 1.163 12.191 7.646 1.00 42.53 H new ATOM 0 HE22 GLN A 108 -0.595 12.024 7.590 1.00 42.53 H new ATOM 1711 N ASN A 109 5.400 9.121 7.691 1.00 3.24 N ATOM 1712 CA ASN A 109 6.491 10.017 8.141 1.00 11.03 C ATOM 1713 C ASN A 109 5.981 11.461 8.322 1.00 2.40 C ATOM 1714 O ASN A 109 6.748 12.346 8.701 1.00 52.23 O ATOM 1715 CB ASN A 109 7.689 9.976 7.144 1.00 2.24 C ATOM 1716 CG ASN A 109 8.451 8.633 7.086 1.00 34.13 C ATOM 1717 OD1 ASN A 109 7.758 7.503 7.239 1.00 24.03 O flip ATOM 1718 ND2 ASN A 109 9.667 8.614 6.871 1.00 65.24 N flip ATOM 0 H ASN A 109 5.406 8.944 6.686 1.00 3.24 H new ATOM 0 HA ASN A 109 6.841 9.659 9.109 1.00 11.03 H new ATOM 0 HB2 ASN A 109 7.318 10.208 6.146 1.00 2.24 H new ATOM 0 HB3 ASN A 109 8.393 10.763 7.414 1.00 2.24 H new ATOM 0 HD21 ASN A 109 10.178 9.489 6.757 1.00 65.24 H new ATOM 0 HD22 ASN A 109 10.160 7.723 6.807 1.00 65.24 H new