USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 721 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 53 THR OG1 : rot 8:sc= 0.237 USER MOD Set 1.2: A 56 SER OG : rot -160:sc= 0.537 USER MOD Set 2.1: A 1 ALA N :NH3+ -179:sc= 2.4 (180deg=1.14) USER MOD Set 2.2: A 18 THR OG1 : rot 71:sc= -0.105 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.071 (180deg=-0.319) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= 1.22 (180deg=0.491) USER MOD Single : A 29 SER OG : rot 77:sc= 0.602 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.0327 (180deg=-0.251) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0262 (180deg=-0.323) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 73:sc= 0.799 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0.00213 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 129:sc= 1.3 (180deg=0.809) USER MOD Single : A 68 SER OG : rot -142:sc= 0.728 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.17) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0784 (180deg=-0.382) USER MOD Single : A 78 THR OG1 : rot -173:sc= -0.1 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.015) USER MOD Single : A 87 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.25) USER MOD Single : A 88 HIS : +bothHN:sc= 2.15 K(o=2.1,f=-9.4!) USER MOD Single : A 89 HIS :FLIP no HE2:sc= -0.0101 F(o=-0.7,f=-0.01) USER MOD Single : A 90 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.026) USER MOD Single : A 91 HIS : no HD1:sc= -1.53! C(o=-1.5!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.654 0.198 -9.096 1.00 63.52 N ATOM 2 CA ALA A 1 4.947 0.334 -9.799 1.00 62.04 C ATOM 3 C ALA A 1 4.939 1.544 -10.723 1.00 43.51 C ATOM 4 O ALA A 1 3.889 2.129 -10.989 1.00 24.12 O ATOM 5 CB ALA A 1 5.247 -0.929 -10.589 1.00 4.45 C ATOM 0 H1 ALA A 1 3.690 -0.624 -8.459 1.00 63.52 H new ATOM 0 H2 ALA A 1 3.468 1.058 -8.541 1.00 63.52 H new ATOM 0 H3 ALA A 1 2.893 0.064 -9.792 1.00 63.52 H new ATOM 0 HA ALA A 1 5.729 0.481 -9.054 1.00 62.04 H new ATOM 0 HB1 ALA A 1 6.202 -0.818 -11.103 1.00 4.45 H new ATOM 0 HB2 ALA A 1 5.297 -1.780 -9.910 1.00 4.45 H new ATOM 0 HB3 ALA A 1 4.458 -1.096 -11.322 1.00 4.45 H new ATOM 13 N GLY A 2 6.119 1.915 -11.199 1.00 75.22 N ATOM 14 CA GLY A 2 6.247 3.015 -12.133 1.00 2.13 C ATOM 15 C GLY A 2 7.515 2.876 -12.943 1.00 10.40 C ATOM 16 O GLY A 2 7.566 2.097 -13.899 1.00 23.21 O ATOM 0 H GLY A 2 7.001 1.467 -10.951 1.00 75.22 H new ATOM 0 HA2 GLY A 2 5.384 3.037 -12.798 1.00 2.13 H new ATOM 0 HA3 GLY A 2 6.256 3.961 -11.591 1.00 2.13 H new ATOM 20 N GLU A 3 8.543 3.614 -12.561 1.00 14.11 N ATOM 21 CA GLU A 3 9.860 3.416 -13.105 1.00 52.15 C ATOM 22 C GLU A 3 10.616 2.400 -12.256 1.00 52.11 C ATOM 23 O GLU A 3 10.097 1.933 -11.239 1.00 2.52 O ATOM 24 CB GLU A 3 10.594 4.745 -13.141 1.00 62.22 C ATOM 25 CG GLU A 3 10.229 5.601 -14.340 1.00 43.14 C ATOM 26 CD GLU A 3 11.048 6.866 -14.426 1.00 71.14 C ATOM 27 OE1 GLU A 3 12.126 6.840 -15.056 1.00 51.34 O ATOM 28 OE2 GLU A 3 10.618 7.898 -13.873 1.00 22.11 O ATOM 0 H GLU A 3 8.481 4.361 -11.869 1.00 14.11 H new ATOM 0 HA GLU A 3 9.789 3.030 -14.122 1.00 52.15 H new ATOM 0 HB2 GLU A 3 10.374 5.298 -12.228 1.00 62.22 H new ATOM 0 HB3 GLU A 3 11.668 4.559 -13.150 1.00 62.22 H new ATOM 0 HG2 GLU A 3 10.369 5.020 -15.252 1.00 43.14 H new ATOM 0 HG3 GLU A 3 9.172 5.861 -14.287 1.00 43.14 H new ATOM 35 N ILE A 4 11.827 2.050 -12.665 1.00 74.32 N ATOM 36 CA ILE A 4 12.602 1.064 -11.929 1.00 43.40 C ATOM 37 C ILE A 4 13.152 1.678 -10.646 1.00 33.13 C ATOM 38 O ILE A 4 13.294 2.896 -10.525 1.00 14.22 O ATOM 39 CB ILE A 4 13.776 0.481 -12.754 1.00 62.24 C ATOM 40 CG1 ILE A 4 13.349 0.205 -14.200 1.00 3.41 C ATOM 41 CG2 ILE A 4 14.298 -0.802 -12.118 1.00 1.23 C ATOM 42 CD1 ILE A 4 12.252 -0.834 -14.331 1.00 14.32 C ATOM 0 H ILE A 4 12.289 2.429 -13.492 1.00 74.32 H new ATOM 0 HA ILE A 4 11.921 0.245 -11.699 1.00 43.40 H new ATOM 0 HB ILE A 4 14.574 1.223 -12.762 1.00 62.24 H new ATOM 0 HG12 ILE A 4 13.009 1.137 -14.652 1.00 3.41 H new ATOM 0 HG13 ILE A 4 14.218 -0.126 -14.768 1.00 3.41 H new ATOM 0 HG21 ILE A 4 15.122 -1.194 -12.714 1.00 1.23 H new ATOM 0 HG22 ILE A 4 14.649 -0.591 -11.108 1.00 1.23 H new ATOM 0 HG23 ILE A 4 13.497 -1.540 -12.077 1.00 1.23 H new ATOM 0 HD11 ILE A 4 12.006 -0.973 -15.384 1.00 14.32 H new ATOM 0 HD12 ILE A 4 12.594 -1.780 -13.911 1.00 14.32 H new ATOM 0 HD13 ILE A 4 11.366 -0.497 -13.793 1.00 14.32 H new ATOM 54 N GLY A 5 13.448 0.812 -9.705 1.00 43.11 N ATOM 55 CA GLY A 5 13.918 1.214 -8.401 1.00 64.41 C ATOM 56 C GLY A 5 13.657 0.109 -7.413 1.00 14.11 C ATOM 57 O GLY A 5 13.329 0.345 -6.248 1.00 14.24 O ATOM 0 H GLY A 5 13.369 -0.198 -9.824 1.00 43.11 H new ATOM 0 HA2 GLY A 5 14.984 1.438 -8.440 1.00 64.41 H new ATOM 0 HA3 GLY A 5 13.412 2.126 -8.085 1.00 64.41 H new ATOM 61 N PHE A 6 13.785 -1.112 -7.905 1.00 12.34 N ATOM 62 CA PHE A 6 13.425 -2.292 -7.140 1.00 33.25 C ATOM 63 C PHE A 6 14.669 -3.090 -6.787 1.00 70.03 C ATOM 64 O PHE A 6 15.663 -3.066 -7.512 1.00 23.40 O ATOM 65 CB PHE A 6 12.475 -3.202 -7.937 1.00 72.34 C ATOM 66 CG PHE A 6 11.159 -2.582 -8.359 1.00 12.21 C ATOM 67 CD1 PHE A 6 11.110 -1.362 -9.018 1.00 1.12 C ATOM 68 CD2 PHE A 6 9.966 -3.239 -8.103 1.00 32.25 C ATOM 69 CE1 PHE A 6 9.903 -0.811 -9.405 1.00 71.43 C ATOM 70 CE2 PHE A 6 8.755 -2.693 -8.487 1.00 74.01 C ATOM 71 CZ PHE A 6 8.723 -1.476 -9.138 1.00 11.30 C ATOM 0 H PHE A 6 14.139 -1.312 -8.840 1.00 12.34 H new ATOM 0 HA PHE A 6 12.924 -1.953 -6.233 1.00 33.25 H new ATOM 0 HB2 PHE A 6 12.996 -3.543 -8.831 1.00 72.34 H new ATOM 0 HB3 PHE A 6 12.261 -4.086 -7.336 1.00 72.34 H new ATOM 0 HD1 PHE A 6 12.028 -0.835 -9.232 1.00 1.12 H new ATOM 0 HD2 PHE A 6 9.982 -4.192 -7.596 1.00 32.25 H new ATOM 0 HE1 PHE A 6 9.883 0.140 -9.916 1.00 71.43 H new ATOM 0 HE2 PHE A 6 7.835 -3.218 -8.278 1.00 74.01 H new ATOM 0 HZ PHE A 6 7.779 -1.046 -9.437 1.00 11.30 H new ATOM 81 N ILE A 7 14.606 -3.775 -5.665 1.00 55.30 N ATOM 82 CA ILE A 7 15.616 -4.755 -5.303 1.00 51.44 C ATOM 83 C ILE A 7 15.024 -6.133 -5.538 1.00 24.21 C ATOM 84 O ILE A 7 15.638 -7.009 -6.147 1.00 64.10 O ATOM 85 CB ILE A 7 16.048 -4.617 -3.829 1.00 71.20 C ATOM 86 CG1 ILE A 7 16.460 -3.172 -3.531 1.00 4.33 C ATOM 87 CG2 ILE A 7 17.190 -5.575 -3.514 1.00 52.12 C ATOM 88 CD1 ILE A 7 16.907 -2.948 -2.101 1.00 64.44 C ATOM 0 H ILE A 7 13.858 -3.671 -4.979 1.00 55.30 H new ATOM 0 HA ILE A 7 16.505 -4.596 -5.913 1.00 51.44 H new ATOM 0 HB ILE A 7 15.201 -4.875 -3.193 1.00 71.20 H new ATOM 0 HG12 ILE A 7 17.269 -2.888 -4.204 1.00 4.33 H new ATOM 0 HG13 ILE A 7 15.620 -2.512 -3.747 1.00 4.33 H new ATOM 0 HG21 ILE A 7 17.481 -5.463 -2.470 1.00 52.12 H new ATOM 0 HG22 ILE A 7 16.865 -6.600 -3.692 1.00 52.12 H new ATOM 0 HG23 ILE A 7 18.042 -5.348 -4.155 1.00 52.12 H new ATOM 0 HD11 ILE A 7 17.183 -1.902 -1.966 1.00 64.44 H new ATOM 0 HD12 ILE A 7 16.093 -3.199 -1.422 1.00 64.44 H new ATOM 0 HD13 ILE A 7 17.768 -3.581 -1.885 1.00 64.44 H new ATOM 100 N ILE A 8 13.803 -6.293 -5.055 1.00 32.02 N ATOM 101 CA ILE A 8 13.006 -7.469 -5.331 1.00 41.42 C ATOM 102 C ILE A 8 11.908 -7.105 -6.319 1.00 35.23 C ATOM 103 O ILE A 8 11.231 -6.088 -6.156 1.00 54.21 O ATOM 104 CB ILE A 8 12.378 -8.028 -4.037 1.00 20.31 C ATOM 105 CG1 ILE A 8 13.480 -8.479 -3.081 1.00 25.15 C ATOM 106 CG2 ILE A 8 11.430 -9.181 -4.345 1.00 64.52 C ATOM 107 CD1 ILE A 8 12.973 -8.899 -1.718 1.00 14.23 C ATOM 0 H ILE A 8 13.339 -5.607 -4.459 1.00 32.02 H new ATOM 0 HA ILE A 8 13.651 -8.239 -5.755 1.00 41.42 H new ATOM 0 HB ILE A 8 11.797 -7.237 -3.562 1.00 20.31 H new ATOM 0 HG12 ILE A 8 14.019 -9.313 -3.530 1.00 25.15 H new ATOM 0 HG13 ILE A 8 14.196 -7.666 -2.957 1.00 25.15 H new ATOM 0 HG21 ILE A 8 11.001 -9.557 -3.416 1.00 64.52 H new ATOM 0 HG22 ILE A 8 10.631 -8.830 -4.998 1.00 64.52 H new ATOM 0 HG23 ILE A 8 11.979 -9.981 -4.841 1.00 64.52 H new ATOM 0 HD11 ILE A 8 13.814 -9.206 -1.096 1.00 14.23 H new ATOM 0 HD12 ILE A 8 12.460 -8.061 -1.247 1.00 14.23 H new ATOM 0 HD13 ILE A 8 12.280 -9.733 -1.829 1.00 14.23 H new ATOM 119 N LYS A 9 11.755 -7.915 -7.351 1.00 63.35 N ATOM 120 CA LYS A 9 10.753 -7.673 -8.372 1.00 42.43 C ATOM 121 C LYS A 9 9.478 -8.440 -8.059 1.00 35.23 C ATOM 122 O LYS A 9 9.390 -9.110 -7.030 1.00 50.41 O ATOM 123 CB LYS A 9 11.293 -8.083 -9.739 1.00 61.33 C ATOM 124 CG LYS A 9 12.465 -7.241 -10.202 1.00 72.35 C ATOM 125 CD LYS A 9 12.993 -7.708 -11.547 1.00 3.34 C ATOM 126 CE LYS A 9 14.175 -6.867 -11.995 1.00 35.54 C ATOM 127 NZ LYS A 9 15.300 -6.928 -11.023 1.00 40.13 N ATOM 0 H LYS A 9 12.317 -8.752 -7.504 1.00 63.35 H new ATOM 0 HA LYS A 9 10.520 -6.608 -8.388 1.00 42.43 H new ATOM 0 HB2 LYS A 9 11.599 -9.128 -9.702 1.00 61.33 H new ATOM 0 HB3 LYS A 9 10.491 -8.012 -10.474 1.00 61.33 H new ATOM 0 HG2 LYS A 9 12.158 -6.198 -10.274 1.00 72.35 H new ATOM 0 HG3 LYS A 9 13.263 -7.289 -9.461 1.00 72.35 H new ATOM 0 HD2 LYS A 9 13.292 -8.754 -11.480 1.00 3.34 H new ATOM 0 HD3 LYS A 9 12.199 -7.651 -12.292 1.00 3.34 H new ATOM 0 HE2 LYS A 9 14.518 -7.214 -12.970 1.00 35.54 H new ATOM 0 HE3 LYS A 9 13.858 -5.832 -12.118 1.00 35.54 H new ATOM 0 HZ1 LYS A 9 16.161 -6.546 -11.464 1.00 40.13 H new ATOM 0 HZ2 LYS A 9 15.063 -6.365 -10.181 1.00 40.13 H new ATOM 0 HZ3 LYS A 9 15.464 -7.916 -10.743 1.00 40.13 H new ATOM 141 N GLU A 10 8.499 -8.340 -8.952 1.00 54.21 N ATOM 142 CA GLU A 10 7.229 -9.027 -8.780 1.00 25.00 C ATOM 143 C GLU A 10 7.420 -10.534 -8.677 1.00 24.42 C ATOM 144 O GLU A 10 8.459 -11.078 -9.066 1.00 10.42 O ATOM 145 CB GLU A 10 6.304 -8.708 -9.951 1.00 44.22 C ATOM 146 CG GLU A 10 5.432 -7.484 -9.736 1.00 52.01 C ATOM 147 CD GLU A 10 4.406 -7.697 -8.644 1.00 52.34 C ATOM 148 OE1 GLU A 10 3.854 -8.815 -8.559 1.00 64.34 O ATOM 149 OE2 GLU A 10 4.146 -6.754 -7.872 1.00 32.15 O ATOM 0 H GLU A 10 8.564 -7.786 -9.806 1.00 54.21 H new ATOM 0 HA GLU A 10 6.782 -8.676 -7.850 1.00 25.00 H new ATOM 0 HB2 GLU A 10 6.907 -8.558 -10.846 1.00 44.22 H new ATOM 0 HB3 GLU A 10 5.663 -9.569 -10.139 1.00 44.22 H new ATOM 0 HG2 GLU A 10 6.062 -6.632 -9.479 1.00 52.01 H new ATOM 0 HG3 GLU A 10 4.923 -7.235 -10.667 1.00 52.01 H new ATOM 156 N GLY A 11 6.392 -11.195 -8.188 1.00 25.40 N ATOM 157 CA GLY A 11 6.441 -12.618 -7.965 1.00 73.50 C ATOM 158 C GLY A 11 5.165 -13.082 -7.315 1.00 42.50 C ATOM 159 O GLY A 11 4.266 -12.277 -7.090 1.00 22.40 O ATOM 0 H GLY A 11 5.504 -10.760 -7.936 1.00 25.40 H new ATOM 0 HA2 GLY A 11 6.586 -13.138 -8.912 1.00 73.50 H new ATOM 0 HA3 GLY A 11 7.293 -12.866 -7.331 1.00 73.50 H new ATOM 163 N ASP A 12 5.084 -14.357 -6.992 1.00 30.14 N ATOM 164 CA ASP A 12 3.864 -14.917 -6.427 1.00 41.33 C ATOM 165 C ASP A 12 3.628 -14.429 -5.008 1.00 55.21 C ATOM 166 O ASP A 12 2.488 -14.282 -4.574 1.00 3.35 O ATOM 167 CB ASP A 12 3.902 -16.443 -6.454 1.00 25.44 C ATOM 168 CG ASP A 12 3.046 -17.011 -7.560 1.00 71.02 C ATOM 169 OD1 ASP A 12 3.523 -17.087 -8.712 1.00 73.14 O ATOM 170 OD2 ASP A 12 1.883 -17.375 -7.287 1.00 15.13 O ATOM 0 H ASP A 12 5.844 -15.027 -7.109 1.00 30.14 H new ATOM 0 HA ASP A 12 3.036 -14.573 -7.046 1.00 41.33 H new ATOM 0 HB2 ASP A 12 4.931 -16.778 -6.584 1.00 25.44 H new ATOM 0 HB3 ASP A 12 3.559 -16.831 -5.495 1.00 25.44 H new ATOM 175 N GLU A 13 4.706 -14.154 -4.300 1.00 22.14 N ATOM 176 CA GLU A 13 4.609 -13.733 -2.911 1.00 73.22 C ATOM 177 C GLU A 13 4.911 -12.247 -2.762 1.00 24.10 C ATOM 178 O GLU A 13 4.858 -11.704 -1.665 1.00 63.21 O ATOM 179 CB GLU A 13 5.549 -14.560 -2.017 1.00 71.32 C ATOM 180 CG GLU A 13 7.031 -14.439 -2.357 1.00 33.25 C ATOM 181 CD GLU A 13 7.401 -15.143 -3.644 1.00 1.30 C ATOM 182 OE1 GLU A 13 7.601 -16.374 -3.618 1.00 73.02 O ATOM 183 OE2 GLU A 13 7.476 -14.465 -4.694 1.00 3.54 O ATOM 0 H GLU A 13 5.658 -14.214 -4.660 1.00 22.14 H new ATOM 0 HA GLU A 13 3.583 -13.907 -2.588 1.00 73.22 H new ATOM 0 HB2 GLU A 13 5.403 -14.255 -0.981 1.00 71.32 H new ATOM 0 HB3 GLU A 13 5.260 -15.609 -2.084 1.00 71.32 H new ATOM 0 HG2 GLU A 13 7.295 -13.384 -2.437 1.00 33.25 H new ATOM 0 HG3 GLU A 13 7.621 -14.854 -1.540 1.00 33.25 H new ATOM 190 N VAL A 14 5.211 -11.586 -3.867 1.00 55.21 N ATOM 191 CA VAL A 14 5.563 -10.174 -3.824 1.00 62.54 C ATOM 192 C VAL A 14 4.405 -9.307 -4.308 1.00 24.44 C ATOM 193 O VAL A 14 3.924 -9.471 -5.427 1.00 22.31 O ATOM 194 CB VAL A 14 6.811 -9.877 -4.679 1.00 21.15 C ATOM 195 CG1 VAL A 14 7.202 -8.408 -4.575 1.00 60.43 C ATOM 196 CG2 VAL A 14 7.968 -10.771 -4.261 1.00 44.52 C ATOM 0 H VAL A 14 5.219 -11.999 -4.800 1.00 55.21 H new ATOM 0 HA VAL A 14 5.784 -9.933 -2.784 1.00 62.54 H new ATOM 0 HB VAL A 14 6.570 -10.090 -5.720 1.00 21.15 H new ATOM 0 HG11 VAL A 14 8.085 -8.222 -5.187 1.00 60.43 H new ATOM 0 HG12 VAL A 14 6.379 -7.787 -4.928 1.00 60.43 H new ATOM 0 HG13 VAL A 14 7.422 -8.163 -3.536 1.00 60.43 H new ATOM 0 HG21 VAL A 14 8.841 -10.548 -4.875 1.00 44.52 H new ATOM 0 HG22 VAL A 14 8.206 -10.591 -3.213 1.00 44.52 H new ATOM 0 HG23 VAL A 14 7.688 -11.816 -4.395 1.00 44.52 H new ATOM 206 N ALA A 15 3.951 -8.405 -3.449 1.00 61.52 N ATOM 207 CA ALA A 15 2.897 -7.464 -3.807 1.00 43.35 C ATOM 208 C ALA A 15 3.427 -6.036 -3.798 1.00 41.30 C ATOM 209 O ALA A 15 3.773 -5.505 -2.739 1.00 41.24 O ATOM 210 CB ALA A 15 1.722 -7.588 -2.848 1.00 74.12 C ATOM 0 H ALA A 15 4.297 -8.304 -2.495 1.00 61.52 H new ATOM 0 HA ALA A 15 2.556 -7.704 -4.814 1.00 43.35 H new ATOM 0 HB1 ALA A 15 0.945 -6.878 -3.131 1.00 74.12 H new ATOM 0 HB2 ALA A 15 1.322 -8.601 -2.892 1.00 74.12 H new ATOM 0 HB3 ALA A 15 2.057 -7.374 -1.833 1.00 74.12 H new ATOM 216 N ASP A 16 3.510 -5.421 -4.968 1.00 52.45 N ATOM 217 CA ASP A 16 3.951 -4.037 -5.057 1.00 22.24 C ATOM 218 C ASP A 16 2.768 -3.096 -4.926 1.00 33.20 C ATOM 219 O ASP A 16 1.706 -3.310 -5.516 1.00 20.04 O ATOM 220 CB ASP A 16 4.690 -3.770 -6.368 1.00 21.12 C ATOM 221 CG ASP A 16 5.165 -2.333 -6.492 1.00 74.15 C ATOM 222 OD1 ASP A 16 6.281 -2.023 -6.008 1.00 20.22 O ATOM 223 OD2 ASP A 16 4.422 -1.507 -7.075 1.00 31.41 O ATOM 0 H ASP A 16 3.280 -5.854 -5.862 1.00 52.45 H new ATOM 0 HA ASP A 16 4.644 -3.856 -4.235 1.00 22.24 H new ATOM 0 HB2 ASP A 16 5.548 -4.439 -6.439 1.00 21.12 H new ATOM 0 HB3 ASP A 16 4.032 -4.004 -7.205 1.00 21.12 H new ATOM 228 N VAL A 17 2.971 -2.059 -4.149 1.00 35.43 N ATOM 229 CA VAL A 17 1.944 -1.068 -3.865 1.00 62.31 C ATOM 230 C VAL A 17 2.490 0.327 -4.131 1.00 73.23 C ATOM 231 O VAL A 17 3.674 0.591 -3.928 1.00 22.03 O ATOM 232 CB VAL A 17 1.465 -1.162 -2.394 1.00 63.41 C ATOM 233 CG1 VAL A 17 0.335 -0.181 -2.114 1.00 21.34 C ATOM 234 CG2 VAL A 17 1.033 -2.582 -2.053 1.00 2.35 C ATOM 0 H VAL A 17 3.861 -1.872 -3.688 1.00 35.43 H new ATOM 0 HA VAL A 17 1.093 -1.265 -4.517 1.00 62.31 H new ATOM 0 HB VAL A 17 2.308 -0.895 -1.757 1.00 63.41 H new ATOM 0 HG11 VAL A 17 0.023 -0.273 -1.074 1.00 21.34 H new ATOM 0 HG12 VAL A 17 0.681 0.836 -2.300 1.00 21.34 H new ATOM 0 HG13 VAL A 17 -0.509 -0.402 -2.767 1.00 21.34 H new ATOM 0 HG21 VAL A 17 0.701 -2.622 -1.016 1.00 2.35 H new ATOM 0 HG22 VAL A 17 0.214 -2.880 -2.708 1.00 2.35 H new ATOM 0 HG23 VAL A 17 1.874 -3.261 -2.191 1.00 2.35 H new ATOM 244 N THR A 18 1.634 1.215 -4.599 1.00 31.31 N ATOM 245 CA THR A 18 2.046 2.568 -4.916 1.00 64.54 C ATOM 246 C THR A 18 1.095 3.575 -4.276 1.00 43.43 C ATOM 247 O THR A 18 -0.068 3.691 -4.668 1.00 72.44 O ATOM 248 CB THR A 18 2.102 2.771 -6.443 1.00 24.14 C ATOM 249 OG1 THR A 18 2.923 1.751 -7.029 1.00 23.15 O ATOM 250 CG2 THR A 18 2.666 4.139 -6.802 1.00 24.35 C ATOM 0 H THR A 18 0.647 1.023 -4.768 1.00 31.31 H new ATOM 0 HA THR A 18 3.045 2.731 -4.512 1.00 64.54 H new ATOM 0 HB THR A 18 1.085 2.709 -6.831 1.00 24.14 H new ATOM 0 HG1 THR A 18 2.458 0.890 -6.982 1.00 23.15 H new ATOM 0 HG21 THR A 18 2.692 4.249 -7.886 1.00 24.35 H new ATOM 0 HG22 THR A 18 2.034 4.917 -6.373 1.00 24.35 H new ATOM 0 HG23 THR A 18 3.677 4.232 -6.404 1.00 24.35 H new ATOM 258 N ILE A 19 1.595 4.288 -3.279 1.00 32.23 N ATOM 259 CA ILE A 19 0.786 5.239 -2.535 1.00 35.11 C ATOM 260 C ILE A 19 1.064 6.654 -3.024 1.00 45.22 C ATOM 261 O ILE A 19 2.205 6.998 -3.332 1.00 31.21 O ATOM 262 CB ILE A 19 1.082 5.168 -1.021 1.00 12.34 C ATOM 263 CG1 ILE A 19 1.152 3.710 -0.552 1.00 12.42 C ATOM 264 CG2 ILE A 19 0.020 5.929 -0.235 1.00 72.20 C ATOM 265 CD1 ILE A 19 1.623 3.556 0.882 1.00 15.01 C ATOM 0 H ILE A 19 2.564 4.225 -2.965 1.00 32.23 H new ATOM 0 HA ILE A 19 -0.260 4.982 -2.701 1.00 35.11 H new ATOM 0 HB ILE A 19 2.050 5.634 -0.838 1.00 12.34 H new ATOM 0 HG12 ILE A 19 0.166 3.257 -0.652 1.00 12.42 H new ATOM 0 HG13 ILE A 19 1.825 3.158 -1.208 1.00 12.42 H new ATOM 0 HG21 ILE A 19 0.243 5.869 0.830 1.00 72.20 H new ATOM 0 HG22 ILE A 19 0.015 6.973 -0.547 1.00 72.20 H new ATOM 0 HG23 ILE A 19 -0.959 5.489 -0.426 1.00 72.20 H new ATOM 0 HD11 ILE A 19 1.648 2.499 1.145 1.00 15.01 H new ATOM 0 HD12 ILE A 19 2.622 3.979 0.984 1.00 15.01 H new ATOM 0 HD13 ILE A 19 0.938 4.080 1.548 1.00 15.01 H new ATOM 277 N PHE A 20 0.024 7.463 -3.100 1.00 20.12 N ATOM 278 CA PHE A 20 0.151 8.839 -3.539 1.00 52.44 C ATOM 279 C PHE A 20 -0.783 9.741 -2.743 1.00 2.01 C ATOM 280 O PHE A 20 -1.820 9.291 -2.249 1.00 14.22 O ATOM 281 CB PHE A 20 -0.133 8.952 -5.041 1.00 23.54 C ATOM 282 CG PHE A 20 -1.397 8.272 -5.493 1.00 22.41 C ATOM 283 CD1 PHE A 20 -2.611 8.938 -5.464 1.00 3.25 C ATOM 284 CD2 PHE A 20 -1.365 6.965 -5.956 1.00 4.33 C ATOM 285 CE1 PHE A 20 -3.770 8.315 -5.888 1.00 43.51 C ATOM 286 CE2 PHE A 20 -2.522 6.337 -6.379 1.00 54.13 C ATOM 287 CZ PHE A 20 -3.724 7.012 -6.345 1.00 32.15 C ATOM 0 H PHE A 20 -0.928 7.186 -2.860 1.00 20.12 H new ATOM 0 HA PHE A 20 1.175 9.166 -3.360 1.00 52.44 H new ATOM 0 HB2 PHE A 20 -0.188 10.007 -5.308 1.00 23.54 H new ATOM 0 HB3 PHE A 20 0.708 8.528 -5.589 1.00 23.54 H new ATOM 0 HD1 PHE A 20 -2.653 9.956 -5.106 1.00 3.25 H new ATOM 0 HD2 PHE A 20 -0.426 6.432 -5.986 1.00 4.33 H new ATOM 0 HE1 PHE A 20 -4.710 8.846 -5.862 1.00 43.51 H new ATOM 0 HE2 PHE A 20 -2.484 5.318 -6.736 1.00 54.13 H new ATOM 0 HZ PHE A 20 -4.628 6.523 -6.675 1.00 32.15 H new ATOM 297 N ALA A 21 -0.395 11.001 -2.606 1.00 52.42 N ATOM 298 CA ALA A 21 -1.175 11.984 -1.871 1.00 0.30 C ATOM 299 C ALA A 21 -0.670 13.389 -2.171 1.00 11.02 C ATOM 300 O ALA A 21 0.169 13.576 -3.051 1.00 73.25 O ATOM 301 CB ALA A 21 -1.113 11.706 -0.378 1.00 54.45 C ATOM 0 H ALA A 21 0.470 11.370 -3.002 1.00 52.42 H new ATOM 0 HA ALA A 21 -2.214 11.911 -2.191 1.00 0.30 H new ATOM 0 HB1 ALA A 21 -1.702 12.452 0.156 1.00 54.45 H new ATOM 0 HB2 ALA A 21 -1.515 10.713 -0.176 1.00 54.45 H new ATOM 0 HB3 ALA A 21 -0.077 11.754 -0.042 1.00 54.45 H new ATOM 307 N GLU A 22 -1.186 14.372 -1.446 1.00 23.02 N ATOM 308 CA GLU A 22 -0.788 15.759 -1.637 1.00 63.01 C ATOM 309 C GLU A 22 0.620 16.029 -1.119 1.00 41.14 C ATOM 310 O GLU A 22 1.356 16.823 -1.701 1.00 73.21 O ATOM 311 CB GLU A 22 -1.779 16.688 -0.937 1.00 3.42 C ATOM 312 CG GLU A 22 -3.103 16.814 -1.666 1.00 53.25 C ATOM 313 CD GLU A 22 -2.943 17.431 -3.042 1.00 52.14 C ATOM 314 OE1 GLU A 22 -2.779 18.666 -3.134 1.00 2.34 O ATOM 315 OE2 GLU A 22 -2.964 16.682 -4.039 1.00 53.41 O ATOM 0 H GLU A 22 -1.885 14.233 -0.716 1.00 23.02 H new ATOM 0 HA GLU A 22 -0.790 15.953 -2.710 1.00 63.01 H new ATOM 0 HB2 GLU A 22 -1.962 16.319 0.072 1.00 3.42 H new ATOM 0 HB3 GLU A 22 -1.331 17.677 -0.838 1.00 3.42 H new ATOM 0 HG2 GLU A 22 -3.558 15.828 -1.762 1.00 53.25 H new ATOM 0 HG3 GLU A 22 -3.785 17.423 -1.074 1.00 53.25 H new ATOM 322 N THR A 23 0.986 15.375 -0.025 1.00 70.21 N ATOM 323 CA THR A 23 2.266 15.633 0.620 1.00 74.22 C ATOM 324 C THR A 23 2.877 14.361 1.189 1.00 71.11 C ATOM 325 O THR A 23 2.185 13.358 1.384 1.00 25.00 O ATOM 326 CB THR A 23 2.121 16.663 1.758 1.00 72.30 C ATOM 327 OG1 THR A 23 0.960 16.367 2.548 1.00 22.10 O ATOM 328 CG2 THR A 23 2.034 18.080 1.210 1.00 73.31 C ATOM 0 H THR A 23 0.416 14.664 0.433 1.00 70.21 H new ATOM 0 HA THR A 23 2.925 16.031 -0.152 1.00 74.22 H new ATOM 0 HB THR A 23 3.008 16.598 2.388 1.00 72.30 H new ATOM 0 HG1 THR A 23 0.878 17.026 3.269 1.00 22.10 H new ATOM 0 HG21 THR A 23 1.932 18.784 2.036 1.00 73.31 H new ATOM 0 HG22 THR A 23 2.939 18.309 0.648 1.00 73.31 H new ATOM 0 HG23 THR A 23 1.168 18.164 0.553 1.00 73.31 H new ATOM 336 N LYS A 24 4.178 14.424 1.463 1.00 4.02 N ATOM 337 CA LYS A 24 4.911 13.311 2.063 1.00 53.01 C ATOM 338 C LYS A 24 4.303 12.933 3.406 1.00 50.52 C ATOM 339 O LYS A 24 4.247 11.763 3.769 1.00 42.05 O ATOM 340 CB LYS A 24 6.375 13.705 2.268 1.00 25.03 C ATOM 341 CG LYS A 24 7.256 12.575 2.776 1.00 12.23 C ATOM 342 CD LYS A 24 8.578 13.108 3.296 1.00 63.35 C ATOM 343 CE LYS A 24 9.507 11.988 3.735 1.00 75.41 C ATOM 344 NZ LYS A 24 10.716 12.517 4.421 1.00 31.42 N ATOM 0 H LYS A 24 4.753 15.246 1.276 1.00 4.02 H new ATOM 0 HA LYS A 24 4.849 12.456 1.390 1.00 53.01 H new ATOM 0 HB2 LYS A 24 6.778 14.069 1.323 1.00 25.03 H new ATOM 0 HB3 LYS A 24 6.422 14.534 2.975 1.00 25.03 H new ATOM 0 HG2 LYS A 24 6.740 12.035 3.570 1.00 12.23 H new ATOM 0 HG3 LYS A 24 7.438 11.862 1.972 1.00 12.23 H new ATOM 0 HD2 LYS A 24 9.063 13.698 2.518 1.00 63.35 H new ATOM 0 HD3 LYS A 24 8.394 13.778 4.136 1.00 63.35 H new ATOM 0 HE2 LYS A 24 8.974 11.314 4.405 1.00 75.41 H new ATOM 0 HE3 LYS A 24 9.808 11.402 2.866 1.00 75.41 H new ATOM 0 HZ1 LYS A 24 11.569 12.143 3.959 1.00 31.42 H new ATOM 0 HZ2 LYS A 24 10.720 13.556 4.366 1.00 31.42 H new ATOM 0 HZ3 LYS A 24 10.706 12.223 5.418 1.00 31.42 H new ATOM 358 N ASP A 25 3.854 13.949 4.129 1.00 3.24 N ATOM 359 CA ASP A 25 3.213 13.777 5.433 1.00 34.24 C ATOM 360 C ASP A 25 2.092 12.745 5.363 1.00 4.32 C ATOM 361 O ASP A 25 1.972 11.875 6.230 1.00 3.20 O ATOM 362 CB ASP A 25 2.653 15.122 5.898 1.00 2.14 C ATOM 363 CG ASP A 25 1.951 15.042 7.236 1.00 11.25 C ATOM 364 OD1 ASP A 25 2.626 15.187 8.274 1.00 74.13 O ATOM 365 OD2 ASP A 25 0.715 14.858 7.254 1.00 3.32 O ATOM 0 H ASP A 25 3.922 14.922 3.830 1.00 3.24 H new ATOM 0 HA ASP A 25 3.957 13.417 6.144 1.00 34.24 H new ATOM 0 HB2 ASP A 25 3.467 15.844 5.964 1.00 2.14 H new ATOM 0 HB3 ASP A 25 1.954 15.496 5.150 1.00 2.14 H new ATOM 370 N ALA A 26 1.284 12.836 4.315 1.00 33.43 N ATOM 371 CA ALA A 26 0.202 11.888 4.110 1.00 24.23 C ATOM 372 C ALA A 26 0.758 10.511 3.766 1.00 23.10 C ATOM 373 O ALA A 26 0.311 9.506 4.311 1.00 54.13 O ATOM 374 CB ALA A 26 -0.744 12.380 3.026 1.00 73.25 C ATOM 0 H ALA A 26 1.359 13.556 3.596 1.00 33.43 H new ATOM 0 HA ALA A 26 -0.365 11.804 5.037 1.00 24.23 H new ATOM 0 HB1 ALA A 26 -1.547 11.656 2.888 1.00 73.25 H new ATOM 0 HB2 ALA A 26 -1.168 13.340 3.321 1.00 73.25 H new ATOM 0 HB3 ALA A 26 -0.196 12.497 2.091 1.00 73.25 H new ATOM 380 N LEU A 27 1.752 10.483 2.881 1.00 32.14 N ATOM 381 CA LEU A 27 2.432 9.242 2.509 1.00 35.31 C ATOM 382 C LEU A 27 2.943 8.521 3.747 1.00 75.31 C ATOM 383 O LEU A 27 2.708 7.328 3.927 1.00 73.24 O ATOM 384 CB LEU A 27 3.620 9.540 1.588 1.00 23.31 C ATOM 385 CG LEU A 27 3.324 9.605 0.090 1.00 5.11 C ATOM 386 CD1 LEU A 27 2.301 10.680 -0.222 1.00 63.34 C ATOM 387 CD2 LEU A 27 4.613 9.856 -0.676 1.00 44.41 C ATOM 0 H LEU A 27 2.107 11.312 2.404 1.00 32.14 H new ATOM 0 HA LEU A 27 1.713 8.609 1.989 1.00 35.31 H new ATOM 0 HB2 LEU A 27 4.056 10.492 1.891 1.00 23.31 H new ATOM 0 HB3 LEU A 27 4.379 8.775 1.753 1.00 23.31 H new ATOM 0 HG LEU A 27 2.902 8.649 -0.221 1.00 5.11 H new ATOM 0 HD11 LEU A 27 2.112 10.702 -1.295 1.00 63.34 H new ATOM 0 HD12 LEU A 27 1.372 10.463 0.306 1.00 63.34 H new ATOM 0 HD13 LEU A 27 2.683 11.649 0.099 1.00 63.34 H new ATOM 0 HD21 LEU A 27 4.399 9.902 -1.744 1.00 44.41 H new ATOM 0 HD22 LEU A 27 5.050 10.801 -0.353 1.00 44.41 H new ATOM 0 HD23 LEU A 27 5.316 9.046 -0.481 1.00 44.41 H new ATOM 399 N GLU A 28 3.630 9.270 4.596 1.00 40.33 N ATOM 400 CA GLU A 28 4.213 8.752 5.820 1.00 43.11 C ATOM 401 C GLU A 28 3.155 8.124 6.721 1.00 64.01 C ATOM 402 O GLU A 28 3.409 7.118 7.387 1.00 61.51 O ATOM 403 CB GLU A 28 4.917 9.900 6.547 1.00 73.44 C ATOM 404 CG GLU A 28 6.168 10.402 5.840 1.00 51.24 C ATOM 405 CD GLU A 28 7.376 9.523 6.088 1.00 21.45 C ATOM 406 OE1 GLU A 28 7.292 8.301 5.863 1.00 51.50 O ATOM 407 OE2 GLU A 28 8.413 10.057 6.542 1.00 65.24 O ATOM 0 H GLU A 28 3.799 10.265 4.451 1.00 40.33 H new ATOM 0 HA GLU A 28 4.929 7.969 5.569 1.00 43.11 H new ATOM 0 HB2 GLU A 28 4.218 10.729 6.660 1.00 73.44 H new ATOM 0 HB3 GLU A 28 5.186 9.571 7.551 1.00 73.44 H new ATOM 0 HG2 GLU A 28 5.977 10.455 4.768 1.00 51.24 H new ATOM 0 HG3 GLU A 28 6.387 11.416 6.175 1.00 51.24 H new ATOM 414 N SER A 29 1.969 8.714 6.733 1.00 11.35 N ATOM 415 CA SER A 29 0.881 8.217 7.558 1.00 2.53 C ATOM 416 C SER A 29 0.245 6.970 6.939 1.00 14.14 C ATOM 417 O SER A 29 0.052 5.959 7.617 1.00 71.10 O ATOM 418 CB SER A 29 -0.166 9.318 7.739 1.00 21.51 C ATOM 419 OG SER A 29 0.413 10.483 8.312 1.00 64.00 O ATOM 0 H SER A 29 1.737 9.539 6.179 1.00 11.35 H new ATOM 0 HA SER A 29 1.281 7.935 8.532 1.00 2.53 H new ATOM 0 HB2 SER A 29 -0.610 9.565 6.774 1.00 21.51 H new ATOM 0 HB3 SER A 29 -0.972 8.957 8.377 1.00 21.51 H new ATOM 0 HG SER A 29 0.923 10.965 7.628 1.00 64.00 H new ATOM 425 N GLU A 30 -0.055 7.044 5.647 1.00 41.14 N ATOM 426 CA GLU A 30 -0.686 5.958 4.935 1.00 65.40 C ATOM 427 C GLU A 30 0.229 4.739 4.861 1.00 45.01 C ATOM 428 O GLU A 30 -0.226 3.602 5.001 1.00 53.04 O ATOM 429 CB GLU A 30 -1.037 6.435 3.534 1.00 53.23 C ATOM 430 CG GLU A 30 -1.962 7.647 3.506 1.00 13.34 C ATOM 431 CD GLU A 30 -3.307 7.409 4.172 1.00 11.43 C ATOM 432 OE1 GLU A 30 -3.348 7.229 5.408 1.00 62.43 O ATOM 433 OE2 GLU A 30 -4.338 7.438 3.465 1.00 51.21 O ATOM 0 H GLU A 30 0.136 7.863 5.070 1.00 41.14 H new ATOM 0 HA GLU A 30 -1.588 5.659 5.468 1.00 65.40 H new ATOM 0 HB2 GLU A 30 -0.117 6.680 3.004 1.00 53.23 H new ATOM 0 HB3 GLU A 30 -1.510 5.617 2.990 1.00 53.23 H new ATOM 0 HG2 GLU A 30 -1.466 8.482 4.000 1.00 13.34 H new ATOM 0 HG3 GLU A 30 -2.128 7.942 2.470 1.00 13.34 H new ATOM 440 N LEU A 31 1.517 4.984 4.647 1.00 75.14 N ATOM 441 CA LEU A 31 2.509 3.914 4.584 1.00 1.53 C ATOM 442 C LEU A 31 2.470 3.081 5.851 1.00 20.14 C ATOM 443 O LEU A 31 2.504 1.850 5.806 1.00 43.24 O ATOM 444 CB LEU A 31 3.908 4.498 4.417 1.00 70.41 C ATOM 445 CG LEU A 31 5.007 3.481 4.100 1.00 14.33 C ATOM 446 CD1 LEU A 31 4.755 2.815 2.757 1.00 11.31 C ATOM 447 CD2 LEU A 31 6.374 4.147 4.125 1.00 43.01 C ATOM 0 H LEU A 31 1.901 5.919 4.513 1.00 75.14 H new ATOM 0 HA LEU A 31 2.272 3.283 3.727 1.00 1.53 H new ATOM 0 HB2 LEU A 31 3.881 5.240 3.619 1.00 70.41 H new ATOM 0 HB3 LEU A 31 4.176 5.024 5.333 1.00 70.41 H new ATOM 0 HG LEU A 31 4.989 2.708 4.868 1.00 14.33 H new ATOM 0 HD11 LEU A 31 5.549 2.096 2.553 1.00 11.31 H new ATOM 0 HD12 LEU A 31 3.795 2.299 2.781 1.00 11.31 H new ATOM 0 HD13 LEU A 31 4.740 3.572 1.973 1.00 11.31 H new ATOM 0 HD21 LEU A 31 7.143 3.409 3.897 1.00 43.01 H new ATOM 0 HD22 LEU A 31 6.404 4.943 3.381 1.00 43.01 H new ATOM 0 HD23 LEU A 31 6.556 4.567 5.114 1.00 43.01 H new ATOM 459 N ALA A 32 2.395 3.771 6.978 1.00 62.34 N ATOM 460 CA ALA A 32 2.324 3.124 8.282 1.00 21.45 C ATOM 461 C ALA A 32 1.138 2.163 8.356 1.00 0.00 C ATOM 462 O ALA A 32 1.235 1.089 8.949 1.00 32.42 O ATOM 463 CB ALA A 32 2.232 4.168 9.385 1.00 70.43 C ATOM 0 H ALA A 32 2.382 4.790 7.017 1.00 62.34 H new ATOM 0 HA ALA A 32 3.236 2.544 8.423 1.00 21.45 H new ATOM 0 HB1 ALA A 32 2.180 3.670 10.353 1.00 70.43 H new ATOM 0 HB2 ALA A 32 3.113 4.809 9.354 1.00 70.43 H new ATOM 0 HB3 ALA A 32 1.337 4.773 9.239 1.00 70.43 H new ATOM 469 N LYS A 33 0.029 2.551 7.735 1.00 60.30 N ATOM 470 CA LYS A 33 -1.168 1.730 7.706 1.00 22.11 C ATOM 471 C LYS A 33 -0.930 0.460 6.894 1.00 25.53 C ATOM 472 O LYS A 33 -1.377 -0.624 7.268 1.00 54.10 O ATOM 473 CB LYS A 33 -2.326 2.527 7.104 1.00 71.14 C ATOM 474 CG LYS A 33 -2.624 3.836 7.823 1.00 71.12 C ATOM 475 CD LYS A 33 -2.935 3.615 9.296 1.00 51.12 C ATOM 476 CE LYS A 33 -3.392 4.902 9.964 1.00 25.54 C ATOM 477 NZ LYS A 33 -4.713 5.354 9.452 1.00 61.21 N ATOM 0 H LYS A 33 -0.062 3.439 7.241 1.00 60.30 H new ATOM 0 HA LYS A 33 -1.420 1.443 8.727 1.00 22.11 H new ATOM 0 HB2 LYS A 33 -2.100 2.743 6.060 1.00 71.14 H new ATOM 0 HB3 LYS A 33 -3.223 1.907 7.115 1.00 71.14 H new ATOM 0 HG2 LYS A 33 -1.769 4.505 7.729 1.00 71.12 H new ATOM 0 HG3 LYS A 33 -3.469 4.330 7.343 1.00 71.12 H new ATOM 0 HD2 LYS A 33 -3.711 2.856 9.396 1.00 51.12 H new ATOM 0 HD3 LYS A 33 -2.049 3.234 9.804 1.00 51.12 H new ATOM 0 HE2 LYS A 33 -3.453 4.750 11.042 1.00 25.54 H new ATOM 0 HE3 LYS A 33 -2.650 5.682 9.794 1.00 25.54 H new ATOM 0 HZ1 LYS A 33 -5.114 6.060 10.102 1.00 61.21 H new ATOM 0 HZ2 LYS A 33 -4.594 5.778 8.510 1.00 61.21 H new ATOM 0 HZ3 LYS A 33 -5.357 4.540 9.386 1.00 61.21 H new ATOM 491 N TYR A 34 -0.218 0.603 5.783 1.00 31.44 N ATOM 492 CA TYR A 34 0.108 -0.535 4.930 1.00 21.12 C ATOM 493 C TYR A 34 1.084 -1.482 5.623 1.00 42.10 C ATOM 494 O TYR A 34 0.940 -2.699 5.532 1.00 20.02 O ATOM 495 CB TYR A 34 0.680 -0.061 3.590 1.00 12.24 C ATOM 496 CG TYR A 34 -0.380 0.414 2.620 1.00 34.22 C ATOM 497 CD1 TYR A 34 -0.879 1.709 2.673 1.00 1.03 C ATOM 498 CD2 TYR A 34 -0.884 -0.442 1.649 1.00 74.23 C ATOM 499 CE1 TYR A 34 -1.851 2.136 1.788 1.00 53.05 C ATOM 500 CE2 TYR A 34 -1.854 -0.022 0.762 1.00 64.43 C ATOM 501 CZ TYR A 34 -2.333 1.267 0.834 1.00 75.21 C ATOM 502 OH TYR A 34 -3.303 1.683 -0.047 1.00 62.42 O ATOM 0 H TYR A 34 0.145 1.496 5.451 1.00 31.44 H new ATOM 0 HA TYR A 34 -0.815 -1.083 4.738 1.00 21.12 H new ATOM 0 HB2 TYR A 34 1.386 0.749 3.771 1.00 12.24 H new ATOM 0 HB3 TYR A 34 1.241 -0.877 3.134 1.00 12.24 H new ATOM 0 HD1 TYR A 34 -0.501 2.394 3.418 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -0.510 -1.453 1.587 1.00 74.23 H new ATOM 0 HE1 TYR A 34 -2.231 3.146 1.844 1.00 53.05 H new ATOM 0 HE2 TYR A 34 -2.236 -0.701 0.014 1.00 64.43 H new ATOM 0 HH TYR A 34 -3.530 0.948 -0.654 1.00 62.42 H new ATOM 512 N ILE A 35 2.066 -0.920 6.320 1.00 2.53 N ATOM 513 CA ILE A 35 3.005 -1.724 7.097 1.00 12.35 C ATOM 514 C ILE A 35 2.257 -2.482 8.194 1.00 72.03 C ATOM 515 O ILE A 35 2.552 -3.643 8.484 1.00 20.11 O ATOM 516 CB ILE A 35 4.112 -0.848 7.733 1.00 63.11 C ATOM 517 CG1 ILE A 35 4.894 -0.106 6.645 1.00 33.02 C ATOM 518 CG2 ILE A 35 5.053 -1.704 8.575 1.00 62.10 C ATOM 519 CD1 ILE A 35 5.943 0.843 7.190 1.00 2.34 C ATOM 0 H ILE A 35 2.233 0.085 6.363 1.00 2.53 H new ATOM 0 HA ILE A 35 3.481 -2.431 6.418 1.00 12.35 H new ATOM 0 HB ILE A 35 3.640 -0.113 8.385 1.00 63.11 H new ATOM 0 HG12 ILE A 35 5.379 -0.836 5.996 1.00 33.02 H new ATOM 0 HG13 ILE A 35 4.195 0.456 6.026 1.00 33.02 H new ATOM 0 HG21 ILE A 35 5.825 -1.072 9.014 1.00 62.10 H new ATOM 0 HG22 ILE A 35 4.488 -2.192 9.369 1.00 62.10 H new ATOM 0 HG23 ILE A 35 5.519 -2.460 7.944 1.00 62.10 H new ATOM 0 HD11 ILE A 35 6.456 1.332 6.362 1.00 2.34 H new ATOM 0 HD12 ILE A 35 5.463 1.596 7.815 1.00 2.34 H new ATOM 0 HD13 ILE A 35 6.665 0.284 7.785 1.00 2.34 H new ATOM 531 N GLU A 36 1.272 -1.815 8.780 1.00 30.55 N ATOM 532 CA GLU A 36 0.423 -2.410 9.792 1.00 34.21 C ATOM 533 C GLU A 36 -0.382 -3.574 9.227 1.00 72.25 C ATOM 534 O GLU A 36 -0.487 -4.629 9.856 1.00 22.14 O ATOM 535 CB GLU A 36 -0.501 -1.338 10.369 1.00 64.25 C ATOM 536 CG GLU A 36 0.069 -0.639 11.592 1.00 63.20 C ATOM 537 CD GLU A 36 0.278 -1.587 12.752 1.00 15.40 C ATOM 538 OE1 GLU A 36 1.338 -2.242 12.810 1.00 30.12 O ATOM 539 OE2 GLU A 36 -0.623 -1.686 13.613 1.00 5.50 O ATOM 0 H GLU A 36 1.042 -0.845 8.564 1.00 30.55 H new ATOM 0 HA GLU A 36 1.052 -2.810 10.587 1.00 34.21 H new ATOM 0 HB2 GLU A 36 -0.707 -0.595 9.599 1.00 64.25 H new ATOM 0 HB3 GLU A 36 -1.454 -1.796 10.633 1.00 64.25 H new ATOM 0 HG2 GLU A 36 1.019 -0.173 11.331 1.00 63.20 H new ATOM 0 HG3 GLU A 36 -0.605 0.161 11.897 1.00 63.20 H new ATOM 546 N LEU A 37 -0.934 -3.382 8.037 1.00 44.25 N ATOM 547 CA LEU A 37 -1.678 -4.436 7.361 1.00 3.13 C ATOM 548 C LEU A 37 -0.751 -5.581 6.976 1.00 52.42 C ATOM 549 O LEU A 37 -1.143 -6.746 7.011 1.00 42.42 O ATOM 550 CB LEU A 37 -2.372 -3.896 6.110 1.00 12.13 C ATOM 551 CG LEU A 37 -3.513 -2.911 6.364 1.00 65.14 C ATOM 552 CD1 LEU A 37 -4.112 -2.454 5.046 1.00 15.20 C ATOM 553 CD2 LEU A 37 -4.579 -3.542 7.243 1.00 2.53 C ATOM 0 H LEU A 37 -0.881 -2.505 7.519 1.00 44.25 H new ATOM 0 HA LEU A 37 -2.436 -4.806 8.052 1.00 3.13 H new ATOM 0 HB2 LEU A 37 -1.626 -3.407 5.484 1.00 12.13 H new ATOM 0 HB3 LEU A 37 -2.763 -4.739 5.540 1.00 12.13 H new ATOM 0 HG LEU A 37 -3.112 -2.042 6.886 1.00 65.14 H new ATOM 0 HD11 LEU A 37 -4.924 -1.753 5.239 1.00 15.20 H new ATOM 0 HD12 LEU A 37 -3.344 -1.964 4.448 1.00 15.20 H new ATOM 0 HD13 LEU A 37 -4.499 -3.317 4.504 1.00 15.20 H new ATOM 0 HD21 LEU A 37 -5.382 -2.825 7.412 1.00 2.53 H new ATOM 0 HD22 LEU A 37 -4.980 -4.427 6.749 1.00 2.53 H new ATOM 0 HD23 LEU A 37 -4.140 -3.827 8.199 1.00 2.53 H new ATOM 565 N ALA A 38 0.487 -5.241 6.634 1.00 53.40 N ATOM 566 CA ALA A 38 1.464 -6.227 6.201 1.00 4.22 C ATOM 567 C ALA A 38 1.766 -7.204 7.325 1.00 73.14 C ATOM 568 O ALA A 38 1.799 -8.414 7.116 1.00 40.52 O ATOM 569 CB ALA A 38 2.739 -5.544 5.729 1.00 1.34 C ATOM 0 H ALA A 38 0.837 -4.283 6.649 1.00 53.40 H new ATOM 0 HA ALA A 38 1.044 -6.784 5.364 1.00 4.22 H new ATOM 0 HB1 ALA A 38 3.458 -6.298 5.409 1.00 1.34 H new ATOM 0 HB2 ALA A 38 2.510 -4.883 4.893 1.00 1.34 H new ATOM 0 HB3 ALA A 38 3.164 -4.961 6.546 1.00 1.34 H new ATOM 575 N LYS A 39 1.959 -6.668 8.523 1.00 61.30 N ATOM 576 CA LYS A 39 2.223 -7.489 9.695 1.00 20.35 C ATOM 577 C LYS A 39 0.988 -8.291 10.086 1.00 74.15 C ATOM 578 O LYS A 39 1.095 -9.409 10.595 1.00 12.21 O ATOM 579 CB LYS A 39 2.663 -6.610 10.858 1.00 55.33 C ATOM 580 CG LYS A 39 4.007 -5.944 10.634 1.00 23.34 C ATOM 581 CD LYS A 39 4.361 -5.019 11.782 1.00 21.15 C ATOM 582 CE LYS A 39 5.772 -4.477 11.651 1.00 34.22 C ATOM 583 NZ LYS A 39 6.790 -5.555 11.729 1.00 73.54 N ATOM 0 H LYS A 39 1.937 -5.665 8.708 1.00 61.30 H new ATOM 0 HA LYS A 39 3.022 -8.188 9.451 1.00 20.35 H new ATOM 0 HB2 LYS A 39 1.909 -5.842 11.029 1.00 55.33 H new ATOM 0 HB3 LYS A 39 2.712 -7.215 11.763 1.00 55.33 H new ATOM 0 HG2 LYS A 39 4.779 -6.706 10.526 1.00 23.34 H new ATOM 0 HG3 LYS A 39 3.985 -5.379 9.702 1.00 23.34 H new ATOM 0 HD2 LYS A 39 3.654 -4.190 11.813 1.00 21.15 H new ATOM 0 HD3 LYS A 39 4.264 -5.556 12.725 1.00 21.15 H new ATOM 0 HE2 LYS A 39 5.872 -3.952 10.701 1.00 34.22 H new ATOM 0 HE3 LYS A 39 5.955 -3.747 12.440 1.00 34.22 H new ATOM 0 HZ1 LYS A 39 7.723 -5.138 11.925 1.00 73.54 H new ATOM 0 HZ2 LYS A 39 6.539 -6.215 12.492 1.00 73.54 H new ATOM 0 HZ3 LYS A 39 6.823 -6.068 10.825 1.00 73.54 H new ATOM 597 N SER A 40 -0.181 -7.713 9.842 1.00 54.31 N ATOM 598 CA SER A 40 -1.446 -8.372 10.143 1.00 72.02 C ATOM 599 C SER A 40 -1.624 -9.603 9.256 1.00 61.34 C ATOM 600 O SER A 40 -2.204 -10.610 9.670 1.00 61.41 O ATOM 601 CB SER A 40 -2.609 -7.389 9.944 1.00 32.03 C ATOM 602 OG SER A 40 -3.859 -7.981 10.258 1.00 64.14 O ATOM 0 H SER A 40 -0.280 -6.783 9.434 1.00 54.31 H new ATOM 0 HA SER A 40 -1.439 -8.697 11.183 1.00 72.02 H new ATOM 0 HB2 SER A 40 -2.455 -6.511 10.572 1.00 32.03 H new ATOM 0 HB3 SER A 40 -2.620 -7.043 8.910 1.00 32.03 H new ATOM 0 HG SER A 40 -4.575 -7.326 10.121 1.00 64.14 H new ATOM 608 N VAL A 41 -1.109 -9.521 8.039 1.00 73.43 N ATOM 609 CA VAL A 41 -1.211 -10.620 7.097 1.00 73.33 C ATOM 610 C VAL A 41 -0.042 -11.590 7.249 1.00 54.15 C ATOM 611 O VAL A 41 -0.244 -12.797 7.381 1.00 12.21 O ATOM 612 CB VAL A 41 -1.265 -10.109 5.639 1.00 42.21 C ATOM 613 CG1 VAL A 41 -1.343 -11.269 4.659 1.00 75.11 C ATOM 614 CG2 VAL A 41 -2.446 -9.171 5.448 1.00 22.32 C ATOM 0 H VAL A 41 -0.616 -8.703 7.682 1.00 73.43 H new ATOM 0 HA VAL A 41 -2.140 -11.145 7.322 1.00 73.33 H new ATOM 0 HB VAL A 41 -0.347 -9.557 5.439 1.00 42.21 H new ATOM 0 HG11 VAL A 41 -1.380 -10.883 3.640 1.00 75.11 H new ATOM 0 HG12 VAL A 41 -0.464 -11.903 4.775 1.00 75.11 H new ATOM 0 HG13 VAL A 41 -2.241 -11.854 4.858 1.00 75.11 H new ATOM 0 HG21 VAL A 41 -2.469 -8.821 4.416 1.00 22.32 H new ATOM 0 HG22 VAL A 41 -3.372 -9.701 5.672 1.00 22.32 H new ATOM 0 HG23 VAL A 41 -2.345 -8.318 6.119 1.00 22.32 H new ATOM 624 N CYS A 42 1.173 -11.059 7.265 1.00 65.53 N ATOM 625 CA CYS A 42 2.358 -11.892 7.250 1.00 32.15 C ATOM 626 C CYS A 42 3.309 -11.500 8.370 1.00 64.23 C ATOM 627 O CYS A 42 3.639 -10.326 8.549 1.00 55.41 O ATOM 628 CB CYS A 42 3.060 -11.776 5.896 1.00 11.33 C ATOM 629 SG CYS A 42 4.427 -12.934 5.665 1.00 13.32 S ATOM 0 H CYS A 42 1.359 -10.056 7.288 1.00 65.53 H new ATOM 0 HA CYS A 42 2.055 -12.927 7.408 1.00 32.15 H new ATOM 0 HB2 CYS A 42 2.327 -11.935 5.105 1.00 11.33 H new ATOM 0 HB3 CYS A 42 3.437 -10.760 5.781 1.00 11.33 H new ATOM 0 HG CYS A 42 3.956 -14.133 5.494 1.00 13.32 H new ATOM 635 N ALA A 43 3.736 -12.493 9.126 1.00 60.31 N ATOM 636 CA ALA A 43 4.669 -12.280 10.223 1.00 22.22 C ATOM 637 C ALA A 43 6.091 -12.132 9.696 1.00 12.11 C ATOM 638 O ALA A 43 6.903 -11.403 10.267 1.00 22.20 O ATOM 639 CB ALA A 43 4.584 -13.426 11.220 1.00 23.35 C ATOM 0 H ALA A 43 3.450 -13.464 9.001 1.00 60.31 H new ATOM 0 HA ALA A 43 4.397 -11.357 10.734 1.00 22.22 H new ATOM 0 HB1 ALA A 43 5.287 -13.253 12.034 1.00 23.35 H new ATOM 0 HB2 ALA A 43 3.572 -13.485 11.621 1.00 23.35 H new ATOM 0 HB3 ALA A 43 4.832 -14.362 10.720 1.00 23.35 H new ATOM 645 N GLY A 44 6.376 -12.805 8.590 1.00 13.05 N ATOM 646 CA GLY A 44 7.707 -12.764 8.017 1.00 42.44 C ATOM 647 C GLY A 44 7.747 -11.977 6.725 1.00 42.44 C ATOM 648 O GLY A 44 8.424 -12.363 5.770 1.00 44.34 O ATOM 0 H GLY A 44 5.707 -13.380 8.078 1.00 13.05 H new ATOM 0 HA2 GLY A 44 8.396 -12.318 8.734 1.00 42.44 H new ATOM 0 HA3 GLY A 44 8.053 -13.781 7.832 1.00 42.44 H new ATOM 652 N VAL A 45 7.011 -10.876 6.692 1.00 1.42 N ATOM 653 CA VAL A 45 6.962 -10.025 5.514 1.00 71.34 C ATOM 654 C VAL A 45 8.246 -9.202 5.391 1.00 41.33 C ATOM 655 O VAL A 45 8.785 -8.711 6.386 1.00 40.50 O ATOM 656 CB VAL A 45 5.729 -9.087 5.549 1.00 71.33 C ATOM 657 CG1 VAL A 45 5.743 -8.203 6.788 1.00 43.31 C ATOM 658 CG2 VAL A 45 5.648 -8.242 4.287 1.00 41.32 C ATOM 0 H VAL A 45 6.438 -10.551 7.471 1.00 1.42 H new ATOM 0 HA VAL A 45 6.872 -10.672 4.641 1.00 71.34 H new ATOM 0 HB VAL A 45 4.840 -9.715 5.594 1.00 71.33 H new ATOM 0 HG11 VAL A 45 4.865 -7.556 6.784 1.00 43.31 H new ATOM 0 HG12 VAL A 45 5.729 -8.828 7.681 1.00 43.31 H new ATOM 0 HG13 VAL A 45 6.645 -7.591 6.788 1.00 43.31 H new ATOM 0 HG21 VAL A 45 4.773 -7.593 4.339 1.00 41.32 H new ATOM 0 HG22 VAL A 45 6.547 -7.632 4.199 1.00 41.32 H new ATOM 0 HG23 VAL A 45 5.565 -8.894 3.417 1.00 41.32 H new ATOM 668 N GLU A 46 8.746 -9.079 4.176 1.00 73.21 N ATOM 669 CA GLU A 46 9.939 -8.290 3.913 1.00 52.20 C ATOM 670 C GLU A 46 9.686 -7.378 2.725 1.00 14.34 C ATOM 671 O GLU A 46 9.229 -7.829 1.682 1.00 54.14 O ATOM 672 CB GLU A 46 11.125 -9.214 3.646 1.00 51.54 C ATOM 673 CG GLU A 46 12.436 -8.492 3.395 1.00 40.14 C ATOM 674 CD GLU A 46 13.614 -9.440 3.408 1.00 70.34 C ATOM 675 OE1 GLU A 46 14.161 -9.689 4.502 1.00 5.35 O ATOM 676 OE2 GLU A 46 13.989 -9.951 2.329 1.00 20.03 O ATOM 0 H GLU A 46 8.342 -9.518 3.349 1.00 73.21 H new ATOM 0 HA GLU A 46 10.175 -7.677 4.783 1.00 52.20 H new ATOM 0 HB2 GLU A 46 11.249 -9.882 4.498 1.00 51.54 H new ATOM 0 HB3 GLU A 46 10.897 -9.838 2.782 1.00 51.54 H new ATOM 0 HG2 GLU A 46 12.391 -7.982 2.433 1.00 40.14 H new ATOM 0 HG3 GLU A 46 12.579 -7.725 4.156 1.00 40.14 H new ATOM 683 N TYR A 47 9.980 -6.100 2.870 1.00 10.22 N ATOM 684 CA TYR A 47 9.576 -5.132 1.867 1.00 14.32 C ATOM 685 C TYR A 47 10.713 -4.217 1.441 1.00 31.30 C ATOM 686 O TYR A 47 11.690 -4.025 2.166 1.00 3.10 O ATOM 687 CB TYR A 47 8.396 -4.296 2.380 1.00 25.34 C ATOM 688 CG TYR A 47 8.665 -3.554 3.674 1.00 4.44 C ATOM 689 CD1 TYR A 47 8.410 -4.151 4.902 1.00 64.12 C ATOM 690 CD2 TYR A 47 9.165 -2.256 3.667 1.00 55.30 C ATOM 691 CE1 TYR A 47 8.645 -3.477 6.087 1.00 15.54 C ATOM 692 CE2 TYR A 47 9.404 -1.578 4.845 1.00 3.33 C ATOM 693 CZ TYR A 47 9.143 -2.190 6.053 1.00 41.03 C ATOM 694 OH TYR A 47 9.380 -1.513 7.227 1.00 42.34 O ATOM 0 H TYR A 47 10.491 -5.711 3.662 1.00 10.22 H new ATOM 0 HA TYR A 47 9.272 -5.699 0.987 1.00 14.32 H new ATOM 0 HB2 TYR A 47 8.119 -3.573 1.613 1.00 25.34 H new ATOM 0 HB3 TYR A 47 7.538 -4.952 2.524 1.00 25.34 H new ATOM 0 HD1 TYR A 47 8.022 -5.158 4.932 1.00 64.12 H new ATOM 0 HD2 TYR A 47 9.370 -1.771 2.724 1.00 55.30 H new ATOM 0 HE1 TYR A 47 8.440 -3.955 7.033 1.00 15.54 H new ATOM 0 HE2 TYR A 47 9.794 -0.571 4.821 1.00 3.33 H new ATOM 0 HH TYR A 47 9.730 -0.620 7.025 1.00 42.34 H new ATOM 704 N ASN A 48 10.566 -3.673 0.244 1.00 53.35 N ATOM 705 CA ASN A 48 11.453 -2.631 -0.253 1.00 52.34 C ATOM 706 C ASN A 48 10.650 -1.362 -0.445 1.00 74.35 C ATOM 707 O ASN A 48 9.420 -1.399 -0.455 1.00 61.54 O ATOM 708 CB ASN A 48 12.092 -2.990 -1.596 1.00 11.14 C ATOM 709 CG ASN A 48 12.954 -4.238 -1.566 1.00 21.34 C ATOM 710 OD1 ASN A 48 13.048 -4.951 -2.565 1.00 64.25 O ATOM 711 ND2 ASN A 48 13.601 -4.498 -0.444 1.00 14.03 N ATOM 0 H ASN A 48 9.830 -3.940 -0.410 1.00 53.35 H new ATOM 0 HA ASN A 48 12.251 -2.507 0.480 1.00 52.34 H new ATOM 0 HB2 ASN A 48 11.303 -3.126 -2.335 1.00 11.14 H new ATOM 0 HB3 ASN A 48 12.701 -2.150 -1.931 1.00 11.14 H new ATOM 0 HD21 ASN A 48 14.207 -5.316 -0.383 1.00 14.03 H new ATOM 0 HD22 ASN A 48 13.495 -3.880 0.361 1.00 14.03 H new ATOM 718 N VAL A 49 11.343 -0.260 -0.641 1.00 41.14 N ATOM 719 CA VAL A 49 10.694 1.028 -0.819 1.00 35.03 C ATOM 720 C VAL A 49 11.656 2.010 -1.485 1.00 30.41 C ATOM 721 O VAL A 49 12.870 1.908 -1.311 1.00 4.34 O ATOM 722 CB VAL A 49 10.192 1.592 0.536 1.00 11.15 C ATOM 723 CG1 VAL A 49 11.347 1.843 1.496 1.00 42.35 C ATOM 724 CG2 VAL A 49 9.367 2.856 0.339 1.00 74.45 C ATOM 0 H VAL A 49 12.362 -0.228 -0.682 1.00 41.14 H new ATOM 0 HA VAL A 49 9.827 0.890 -1.464 1.00 35.03 H new ATOM 0 HB VAL A 49 9.546 0.836 0.982 1.00 11.15 H new ATOM 0 HG11 VAL A 49 10.960 2.238 2.435 1.00 42.35 H new ATOM 0 HG12 VAL A 49 11.873 0.907 1.685 1.00 42.35 H new ATOM 0 HG13 VAL A 49 12.036 2.564 1.056 1.00 42.35 H new ATOM 0 HG21 VAL A 49 9.031 3.226 1.308 1.00 74.45 H new ATOM 0 HG22 VAL A 49 9.977 3.617 -0.148 1.00 74.45 H new ATOM 0 HG23 VAL A 49 8.501 2.632 -0.284 1.00 74.45 H new ATOM 734 N SER A 50 11.116 2.925 -2.278 1.00 54.13 N ATOM 735 CA SER A 50 11.923 3.948 -2.925 1.00 43.01 C ATOM 736 C SER A 50 12.438 4.954 -1.896 1.00 31.13 C ATOM 737 O SER A 50 12.058 4.910 -0.723 1.00 71.34 O ATOM 738 CB SER A 50 11.095 4.664 -3.994 1.00 74.22 C ATOM 739 OG SER A 50 10.457 3.733 -4.855 1.00 14.44 O ATOM 0 H SER A 50 10.119 2.979 -2.489 1.00 54.13 H new ATOM 0 HA SER A 50 12.780 3.470 -3.399 1.00 43.01 H new ATOM 0 HB2 SER A 50 10.345 5.295 -3.516 1.00 74.22 H new ATOM 0 HB3 SER A 50 11.739 5.321 -4.578 1.00 74.22 H new ATOM 0 HG SER A 50 9.933 4.216 -5.528 1.00 14.44 H new ATOM 745 N GLU A 51 13.299 5.856 -2.336 1.00 14.40 N ATOM 746 CA GLU A 51 13.866 6.860 -1.449 1.00 51.44 C ATOM 747 C GLU A 51 12.837 7.937 -1.127 1.00 71.43 C ATOM 748 O GLU A 51 12.091 8.384 -2.002 1.00 3.30 O ATOM 749 CB GLU A 51 15.111 7.483 -2.075 1.00 44.13 C ATOM 750 CG GLU A 51 14.890 8.002 -3.483 1.00 73.23 C ATOM 751 CD GLU A 51 16.090 8.752 -4.015 1.00 10.40 C ATOM 752 OE1 GLU A 51 17.006 8.107 -4.571 1.00 13.12 O ATOM 753 OE2 GLU A 51 16.128 9.989 -3.869 1.00 65.05 O ATOM 0 H GLU A 51 13.621 5.914 -3.302 1.00 14.40 H new ATOM 0 HA GLU A 51 14.153 6.371 -0.518 1.00 51.44 H new ATOM 0 HB2 GLU A 51 15.452 8.304 -1.444 1.00 44.13 H new ATOM 0 HB3 GLU A 51 15.909 6.741 -2.092 1.00 44.13 H new ATOM 0 HG2 GLU A 51 14.665 7.166 -4.145 1.00 73.23 H new ATOM 0 HG3 GLU A 51 14.020 8.659 -3.493 1.00 73.23 H new ATOM 760 N LEU A 52 12.790 8.334 0.134 1.00 42.54 N ATOM 761 CA LEU A 52 11.836 9.328 0.587 1.00 51.21 C ATOM 762 C LEU A 52 12.469 10.711 0.663 1.00 21.20 C ATOM 763 O LEU A 52 13.453 10.920 1.378 1.00 4.31 O ATOM 764 CB LEU A 52 11.292 8.948 1.964 1.00 23.13 C ATOM 765 CG LEU A 52 10.463 7.664 2.014 1.00 43.12 C ATOM 766 CD1 LEU A 52 10.110 7.315 3.453 1.00 52.53 C ATOM 767 CD2 LEU A 52 9.197 7.814 1.183 1.00 64.03 C ATOM 0 H LEU A 52 13.407 7.979 0.865 1.00 42.54 H new ATOM 0 HA LEU A 52 11.022 9.357 -0.137 1.00 51.21 H new ATOM 0 HB2 LEU A 52 12.132 8.844 2.651 1.00 23.13 H new ATOM 0 HB3 LEU A 52 10.679 9.770 2.332 1.00 23.13 H new ATOM 0 HG LEU A 52 11.059 6.854 1.595 1.00 43.12 H new ATOM 0 HD11 LEU A 52 9.520 6.399 3.471 1.00 52.53 H new ATOM 0 HD12 LEU A 52 11.025 7.169 4.027 1.00 52.53 H new ATOM 0 HD13 LEU A 52 9.532 8.127 3.893 1.00 52.53 H new ATOM 0 HD21 LEU A 52 8.619 6.891 1.230 1.00 64.03 H new ATOM 0 HD22 LEU A 52 8.599 8.636 1.576 1.00 64.03 H new ATOM 0 HD23 LEU A 52 9.464 8.022 0.147 1.00 64.03 H new ATOM 779 N THR A 53 11.909 11.647 -0.083 1.00 65.00 N ATOM 780 CA THR A 53 12.274 13.049 0.037 1.00 74.12 C ATOM 781 C THR A 53 11.019 13.869 0.313 1.00 21.21 C ATOM 782 O THR A 53 9.919 13.317 0.366 1.00 33.01 O ATOM 783 CB THR A 53 12.984 13.580 -1.229 1.00 34.52 C ATOM 784 OG1 THR A 53 12.262 13.194 -2.407 1.00 64.41 O ATOM 785 CG2 THR A 53 14.413 13.065 -1.312 1.00 63.53 C ATOM 0 H THR A 53 11.193 11.459 -0.785 1.00 65.00 H new ATOM 0 HA THR A 53 12.979 13.144 0.863 1.00 74.12 H new ATOM 0 HB THR A 53 13.011 14.668 -1.164 1.00 34.52 H new ATOM 0 HG1 THR A 53 11.408 12.788 -2.149 1.00 64.41 H new ATOM 0 HG21 THR A 53 14.888 13.454 -2.212 1.00 63.53 H new ATOM 0 HG22 THR A 53 14.970 13.395 -0.435 1.00 63.53 H new ATOM 0 HG23 THR A 53 14.406 11.976 -1.348 1.00 63.53 H new ATOM 793 N GLU A 54 11.168 15.172 0.485 1.00 61.15 N ATOM 794 CA GLU A 54 10.028 16.028 0.766 1.00 0.54 C ATOM 795 C GLU A 54 9.289 16.380 -0.521 1.00 44.12 C ATOM 796 O GLU A 54 8.173 16.904 -0.491 1.00 63.33 O ATOM 797 CB GLU A 54 10.475 17.296 1.489 1.00 65.24 C ATOM 798 CG GLU A 54 10.605 17.134 2.999 1.00 4.03 C ATOM 799 CD GLU A 54 11.651 16.116 3.403 1.00 13.10 C ATOM 800 OE1 GLU A 54 12.853 16.448 3.366 1.00 71.10 O ATOM 801 OE2 GLU A 54 11.279 14.984 3.774 1.00 12.54 O ATOM 0 H GLU A 54 12.063 15.658 0.435 1.00 61.15 H new ATOM 0 HA GLU A 54 9.344 15.483 1.416 1.00 0.54 H new ATOM 0 HB2 GLU A 54 11.436 17.614 1.084 1.00 65.24 H new ATOM 0 HB3 GLU A 54 9.761 18.093 1.279 1.00 65.24 H new ATOM 0 HG2 GLU A 54 10.856 18.098 3.441 1.00 4.03 H new ATOM 0 HG3 GLU A 54 9.640 16.837 3.410 1.00 4.03 H new ATOM 808 N GLU A 55 9.919 16.078 -1.648 1.00 41.34 N ATOM 809 CA GLU A 55 9.311 16.299 -2.953 1.00 22.32 C ATOM 810 C GLU A 55 8.398 15.136 -3.320 1.00 13.01 C ATOM 811 O GLU A 55 7.605 15.228 -4.257 1.00 32.33 O ATOM 812 CB GLU A 55 10.383 16.456 -4.031 1.00 63.24 C ATOM 813 CG GLU A 55 11.366 17.577 -3.760 1.00 1.03 C ATOM 814 CD GLU A 55 12.339 17.774 -4.901 1.00 4.13 C ATOM 815 OE1 GLU A 55 13.315 17.002 -4.998 1.00 61.42 O ATOM 816 OE2 GLU A 55 12.131 18.706 -5.707 1.00 45.13 O ATOM 0 H GLU A 55 10.856 15.677 -1.684 1.00 41.34 H new ATOM 0 HA GLU A 55 8.725 17.216 -2.896 1.00 22.32 H new ATOM 0 HB2 GLU A 55 10.932 15.519 -4.123 1.00 63.24 H new ATOM 0 HB3 GLU A 55 9.897 16.636 -4.990 1.00 63.24 H new ATOM 0 HG2 GLU A 55 10.819 18.504 -3.588 1.00 1.03 H new ATOM 0 HG3 GLU A 55 11.920 17.359 -2.847 1.00 1.03 H new ATOM 823 N SER A 56 8.529 14.041 -2.584 1.00 24.05 N ATOM 824 CA SER A 56 7.753 12.849 -2.849 1.00 30.13 C ATOM 825 C SER A 56 6.297 13.042 -2.442 1.00 10.23 C ATOM 826 O SER A 56 5.993 13.345 -1.288 1.00 52.20 O ATOM 827 CB SER A 56 8.345 11.655 -2.104 1.00 64.14 C ATOM 828 OG SER A 56 9.742 11.542 -2.337 1.00 51.21 O ATOM 0 H SER A 56 9.171 13.959 -1.795 1.00 24.05 H new ATOM 0 HA SER A 56 7.789 12.656 -3.921 1.00 30.13 H new ATOM 0 HB2 SER A 56 8.160 11.762 -1.035 1.00 64.14 H new ATOM 0 HB3 SER A 56 7.846 10.740 -2.424 1.00 64.14 H new ATOM 0 HG SER A 56 10.036 10.630 -2.129 1.00 51.21 H new ATOM 834 N LYS A 57 5.414 12.863 -3.403 1.00 60.35 N ATOM 835 CA LYS A 57 3.978 12.907 -3.165 1.00 32.13 C ATOM 836 C LYS A 57 3.399 11.574 -3.599 1.00 15.54 C ATOM 837 O LYS A 57 2.185 11.367 -3.638 1.00 1.33 O ATOM 838 CB LYS A 57 3.307 14.069 -3.921 1.00 72.42 C ATOM 839 CG LYS A 57 3.448 14.013 -5.437 1.00 12.12 C ATOM 840 CD LYS A 57 4.808 14.504 -5.899 1.00 51.44 C ATOM 841 CE LYS A 57 5.106 14.052 -7.314 1.00 14.42 C ATOM 842 NZ LYS A 57 6.554 14.137 -7.628 1.00 64.22 N ATOM 0 H LYS A 57 5.668 12.682 -4.374 1.00 60.35 H new ATOM 0 HA LYS A 57 3.788 13.081 -2.106 1.00 32.13 H new ATOM 0 HB2 LYS A 57 2.247 14.083 -3.669 1.00 72.42 H new ATOM 0 HB3 LYS A 57 3.731 15.008 -3.565 1.00 72.42 H new ATOM 0 HG2 LYS A 57 3.297 12.989 -5.778 1.00 12.12 H new ATOM 0 HG3 LYS A 57 2.668 14.620 -5.897 1.00 12.12 H new ATOM 0 HD2 LYS A 57 4.840 15.592 -5.848 1.00 51.44 H new ATOM 0 HD3 LYS A 57 5.580 14.131 -5.226 1.00 51.44 H new ATOM 0 HE2 LYS A 57 4.765 13.025 -7.447 1.00 14.42 H new ATOM 0 HE3 LYS A 57 4.545 14.667 -8.018 1.00 14.42 H new ATOM 0 HZ1 LYS A 57 6.687 14.120 -8.659 1.00 64.22 H new ATOM 0 HZ2 LYS A 57 6.941 15.022 -7.244 1.00 64.22 H new ATOM 0 HZ3 LYS A 57 7.050 13.328 -7.201 1.00 64.22 H new ATOM 856 N GLU A 58 4.318 10.675 -3.921 1.00 13.42 N ATOM 857 CA GLU A 58 4.013 9.323 -4.343 1.00 5.31 C ATOM 858 C GLU A 58 5.219 8.430 -4.078 1.00 45.34 C ATOM 859 O GLU A 58 6.361 8.856 -4.245 1.00 43.40 O ATOM 860 CB GLU A 58 3.620 9.272 -5.831 1.00 1.22 C ATOM 861 CG GLU A 58 4.123 10.445 -6.676 1.00 23.43 C ATOM 862 CD GLU A 58 5.635 10.593 -6.698 1.00 53.53 C ATOM 863 OE1 GLU A 58 6.298 9.845 -7.443 1.00 65.21 O ATOM 864 OE2 GLU A 58 6.157 11.487 -5.988 1.00 42.12 O ATOM 0 H GLU A 58 5.318 10.874 -3.894 1.00 13.42 H new ATOM 0 HA GLU A 58 3.159 8.964 -3.770 1.00 5.31 H new ATOM 0 HB2 GLU A 58 4.002 8.345 -6.260 1.00 1.22 H new ATOM 0 HB3 GLU A 58 2.533 9.233 -5.903 1.00 1.22 H new ATOM 0 HG2 GLU A 58 3.766 10.321 -7.698 1.00 23.43 H new ATOM 0 HG3 GLU A 58 3.684 11.367 -6.295 1.00 23.43 H new ATOM 871 N LEU A 59 4.974 7.212 -3.627 1.00 21.31 N ATOM 872 CA LEU A 59 6.057 6.272 -3.378 1.00 43.14 C ATOM 873 C LEU A 59 5.623 4.862 -3.735 1.00 21.12 C ATOM 874 O LEU A 59 4.435 4.537 -3.702 1.00 72.00 O ATOM 875 CB LEU A 59 6.536 6.323 -1.915 1.00 22.34 C ATOM 876 CG LEU A 59 5.659 5.603 -0.879 1.00 4.53 C ATOM 877 CD1 LEU A 59 6.390 5.510 0.450 1.00 1.12 C ATOM 878 CD2 LEU A 59 4.330 6.315 -0.691 1.00 53.44 C ATOM 0 H LEU A 59 4.041 6.851 -3.426 1.00 21.31 H new ATOM 0 HA LEU A 59 6.895 6.563 -4.011 1.00 43.14 H new ATOM 0 HB2 LEU A 59 7.538 5.896 -1.869 1.00 22.34 H new ATOM 0 HB3 LEU A 59 6.622 7.369 -1.621 1.00 22.34 H new ATOM 0 HG LEU A 59 5.456 4.599 -1.251 1.00 4.53 H new ATOM 0 HD11 LEU A 59 5.760 4.998 1.177 1.00 1.12 H new ATOM 0 HD12 LEU A 59 7.317 4.952 0.317 1.00 1.12 H new ATOM 0 HD13 LEU A 59 6.619 6.513 0.811 1.00 1.12 H new ATOM 0 HD21 LEU A 59 3.733 5.781 0.048 1.00 53.44 H new ATOM 0 HD22 LEU A 59 4.508 7.333 -0.346 1.00 53.44 H new ATOM 0 HD23 LEU A 59 3.794 6.342 -1.640 1.00 53.44 H new ATOM 890 N THR A 60 6.587 4.033 -4.083 1.00 35.02 N ATOM 891 CA THR A 60 6.309 2.666 -4.469 1.00 31.42 C ATOM 892 C THR A 60 7.028 1.692 -3.533 1.00 45.31 C ATOM 893 O THR A 60 8.236 1.807 -3.317 1.00 34.10 O ATOM 894 CB THR A 60 6.749 2.425 -5.922 1.00 60.14 C ATOM 895 OG1 THR A 60 6.373 3.547 -6.729 1.00 72.11 O ATOM 896 CG2 THR A 60 6.104 1.172 -6.484 1.00 23.13 C ATOM 0 H THR A 60 7.575 4.285 -4.106 1.00 35.02 H new ATOM 0 HA THR A 60 5.235 2.495 -4.393 1.00 31.42 H new ATOM 0 HB THR A 60 7.832 2.298 -5.935 1.00 60.14 H new ATOM 0 HG1 THR A 60 6.655 3.393 -7.655 1.00 72.11 H new ATOM 0 HG21 THR A 60 6.432 1.024 -7.513 1.00 23.13 H new ATOM 0 HG22 THR A 60 6.397 0.311 -5.883 1.00 23.13 H new ATOM 0 HG23 THR A 60 5.020 1.279 -6.460 1.00 23.13 H new ATOM 904 N ALA A 61 6.281 0.751 -2.975 1.00 64.34 N ATOM 905 CA ALA A 61 6.832 -0.209 -2.031 1.00 32.13 C ATOM 906 C ALA A 61 6.271 -1.599 -2.300 1.00 41.12 C ATOM 907 O ALA A 61 5.082 -1.751 -2.552 1.00 21.13 O ATOM 908 CB ALA A 61 6.529 0.223 -0.602 1.00 34.44 C ATOM 0 H ALA A 61 5.285 0.632 -3.161 1.00 64.34 H new ATOM 0 HA ALA A 61 7.914 -0.244 -2.160 1.00 32.13 H new ATOM 0 HB1 ALA A 61 6.947 -0.504 0.094 1.00 34.44 H new ATOM 0 HB2 ALA A 61 6.973 1.201 -0.416 1.00 34.44 H new ATOM 0 HB3 ALA A 61 5.450 0.282 -0.461 1.00 34.44 H new ATOM 914 N ARG A 62 7.127 -2.606 -2.251 1.00 65.42 N ATOM 915 CA ARG A 62 6.711 -3.974 -2.533 1.00 54.51 C ATOM 916 C ARG A 62 6.908 -4.856 -1.313 1.00 43.22 C ATOM 917 O ARG A 62 7.979 -4.860 -0.704 1.00 2.54 O ATOM 918 CB ARG A 62 7.488 -4.538 -3.723 1.00 62.32 C ATOM 919 CG ARG A 62 8.993 -4.428 -3.570 1.00 5.04 C ATOM 920 CD ARG A 62 9.616 -3.771 -4.782 1.00 52.31 C ATOM 921 NE ARG A 62 8.919 -2.535 -5.139 1.00 14.24 N ATOM 922 CZ ARG A 62 9.490 -1.339 -5.209 1.00 5.44 C ATOM 923 NH1 ARG A 62 10.777 -1.183 -4.912 1.00 41.41 N ATOM 924 NH2 ARG A 62 8.765 -0.299 -5.582 1.00 65.32 N ATOM 0 H ARG A 62 8.115 -2.504 -2.019 1.00 65.42 H new ATOM 0 HA ARG A 62 5.650 -3.961 -2.784 1.00 54.51 H new ATOM 0 HB2 ARG A 62 7.220 -5.586 -3.858 1.00 62.32 H new ATOM 0 HB3 ARG A 62 7.183 -4.012 -4.628 1.00 62.32 H new ATOM 0 HG2 ARG A 62 9.230 -3.850 -2.677 1.00 5.04 H new ATOM 0 HG3 ARG A 62 9.421 -5.421 -3.430 1.00 5.04 H new ATOM 0 HD2 ARG A 62 10.665 -3.553 -4.580 1.00 52.31 H new ATOM 0 HD3 ARG A 62 9.590 -4.461 -5.625 1.00 52.31 H new ATOM 0 HE ARG A 62 7.923 -2.597 -5.349 1.00 14.24 H new ATOM 0 HH11 ARG A 62 11.336 -1.987 -4.627 1.00 41.41 H new ATOM 0 HH12 ARG A 62 11.205 -0.259 -4.969 1.00 41.41 H new ATOM 0 HH21 ARG A 62 7.779 -0.421 -5.812 1.00 65.32 H new ATOM 0 HH22 ARG A 62 9.192 0.626 -5.640 1.00 65.32 H new ATOM 938 N PHE A 63 5.871 -5.594 -0.958 1.00 62.34 N ATOM 939 CA PHE A 63 5.913 -6.468 0.198 1.00 12.01 C ATOM 940 C PHE A 63 6.087 -7.915 -0.241 1.00 70.03 C ATOM 941 O PHE A 63 5.239 -8.464 -0.946 1.00 73.03 O ATOM 942 CB PHE A 63 4.632 -6.325 1.026 1.00 1.43 C ATOM 943 CG PHE A 63 4.387 -4.932 1.537 1.00 45.53 C ATOM 944 CD1 PHE A 63 3.664 -4.019 0.787 1.00 54.21 C ATOM 945 CD2 PHE A 63 4.880 -4.539 2.769 1.00 51.25 C ATOM 946 CE1 PHE A 63 3.439 -2.739 1.255 1.00 73.13 C ATOM 947 CE2 PHE A 63 4.659 -3.259 3.244 1.00 44.23 C ATOM 948 CZ PHE A 63 3.937 -2.359 2.486 1.00 41.24 C ATOM 0 H PHE A 63 4.983 -5.604 -1.460 1.00 62.34 H new ATOM 0 HA PHE A 63 6.764 -6.180 0.816 1.00 12.01 H new ATOM 0 HB2 PHE A 63 3.782 -6.633 0.417 1.00 1.43 H new ATOM 0 HB3 PHE A 63 4.681 -7.009 1.874 1.00 1.43 H new ATOM 0 HD1 PHE A 63 3.271 -4.312 -0.176 1.00 54.21 H new ATOM 0 HD2 PHE A 63 5.444 -5.240 3.366 1.00 51.25 H new ATOM 0 HE1 PHE A 63 2.875 -2.037 0.659 1.00 73.13 H new ATOM 0 HE2 PHE A 63 5.051 -2.964 4.206 1.00 44.23 H new ATOM 0 HZ PHE A 63 3.762 -1.359 2.855 1.00 41.24 H new ATOM 958 N LYS A 64 7.194 -8.518 0.158 1.00 3.31 N ATOM 959 CA LYS A 64 7.441 -9.923 -0.112 1.00 15.34 C ATOM 960 C LYS A 64 6.952 -10.765 1.052 1.00 44.31 C ATOM 961 O LYS A 64 7.457 -10.649 2.173 1.00 75.01 O ATOM 962 CB LYS A 64 8.932 -10.189 -0.346 1.00 0.34 C ATOM 963 CG LYS A 64 9.259 -11.661 -0.558 1.00 43.44 C ATOM 964 CD LYS A 64 10.757 -11.918 -0.562 1.00 44.11 C ATOM 965 CE LYS A 64 11.400 -11.501 0.754 1.00 0.10 C ATOM 966 NZ LYS A 64 12.844 -11.851 0.808 1.00 12.34 N ATOM 0 H LYS A 64 7.940 -8.052 0.674 1.00 3.31 H new ATOM 0 HA LYS A 64 6.897 -10.194 -1.017 1.00 15.34 H new ATOM 0 HB2 LYS A 64 9.262 -9.622 -1.217 1.00 0.34 H new ATOM 0 HB3 LYS A 64 9.498 -9.818 0.509 1.00 0.34 H new ATOM 0 HG2 LYS A 64 8.792 -12.253 0.229 1.00 43.44 H new ATOM 0 HG3 LYS A 64 8.832 -11.995 -1.504 1.00 43.44 H new ATOM 0 HD2 LYS A 64 10.945 -12.977 -0.740 1.00 44.11 H new ATOM 0 HD3 LYS A 64 11.219 -11.370 -1.383 1.00 44.11 H new ATOM 0 HE2 LYS A 64 11.283 -10.426 0.889 1.00 0.10 H new ATOM 0 HE3 LYS A 64 10.879 -11.985 1.580 1.00 0.10 H new ATOM 0 HZ1 LYS A 64 13.394 -11.013 1.087 1.00 12.34 H new ATOM 0 HZ2 LYS A 64 12.992 -12.609 1.504 1.00 12.34 H new ATOM 0 HZ3 LYS A 64 13.158 -12.175 -0.129 1.00 12.34 H new ATOM 980 N PHE A 65 5.960 -11.587 0.784 1.00 65.13 N ATOM 981 CA PHE A 65 5.424 -12.500 1.773 1.00 54.24 C ATOM 982 C PHE A 65 6.066 -13.873 1.597 1.00 32.33 C ATOM 983 O PHE A 65 7.091 -14.006 0.923 1.00 1.52 O ATOM 984 CB PHE A 65 3.903 -12.602 1.620 1.00 3.13 C ATOM 985 CG PHE A 65 3.203 -11.270 1.602 1.00 72.13 C ATOM 986 CD1 PHE A 65 2.995 -10.561 2.774 1.00 40.34 C ATOM 987 CD2 PHE A 65 2.749 -10.729 0.410 1.00 30.34 C ATOM 988 CE1 PHE A 65 2.350 -9.339 2.757 1.00 5.53 C ATOM 989 CE2 PHE A 65 2.105 -9.508 0.388 1.00 34.03 C ATOM 990 CZ PHE A 65 1.904 -8.812 1.563 1.00 30.15 C ATOM 0 H PHE A 65 5.502 -11.642 -0.126 1.00 65.13 H new ATOM 0 HA PHE A 65 5.649 -12.126 2.772 1.00 54.24 H new ATOM 0 HB2 PHE A 65 3.675 -13.134 0.696 1.00 3.13 H new ATOM 0 HB3 PHE A 65 3.504 -13.200 2.439 1.00 3.13 H new ATOM 0 HD1 PHE A 65 3.341 -10.968 3.712 1.00 40.34 H new ATOM 0 HD2 PHE A 65 2.901 -11.269 -0.513 1.00 30.34 H new ATOM 0 HE1 PHE A 65 2.195 -8.797 3.678 1.00 5.53 H new ATOM 0 HE2 PHE A 65 1.758 -9.097 -0.549 1.00 34.03 H new ATOM 0 HZ PHE A 65 1.399 -7.858 1.547 1.00 30.15 H new ATOM 1000 N GLU A 66 5.472 -14.885 2.201 1.00 32.25 N ATOM 1001 CA GLU A 66 5.945 -16.248 2.052 1.00 63.25 C ATOM 1002 C GLU A 66 5.169 -16.980 0.958 1.00 43.13 C ATOM 1003 O GLU A 66 5.755 -17.660 0.116 1.00 10.11 O ATOM 1004 CB GLU A 66 5.807 -16.999 3.376 1.00 42.05 C ATOM 1005 CG GLU A 66 6.848 -16.613 4.412 1.00 63.05 C ATOM 1006 CD GLU A 66 8.257 -16.913 3.945 1.00 31.32 C ATOM 1007 OE1 GLU A 66 8.583 -18.104 3.755 1.00 72.54 O ATOM 1008 OE2 GLU A 66 9.042 -15.958 3.754 1.00 70.21 O ATOM 0 H GLU A 66 4.655 -14.787 2.804 1.00 32.25 H new ATOM 0 HA GLU A 66 6.996 -16.213 1.764 1.00 63.25 H new ATOM 0 HB2 GLU A 66 4.814 -16.814 3.786 1.00 42.05 H new ATOM 0 HB3 GLU A 66 5.878 -18.070 3.185 1.00 42.05 H new ATOM 0 HG2 GLU A 66 6.759 -15.550 4.635 1.00 63.05 H new ATOM 0 HG3 GLU A 66 6.652 -17.151 5.340 1.00 63.05 H new ATOM 1015 N VAL A 67 3.849 -16.836 0.968 1.00 3.44 N ATOM 1016 CA VAL A 67 2.998 -17.546 0.016 1.00 35.42 C ATOM 1017 C VAL A 67 2.117 -16.583 -0.779 1.00 2.52 C ATOM 1018 O VAL A 67 1.945 -15.424 -0.393 1.00 21.02 O ATOM 1019 CB VAL A 67 2.110 -18.597 0.717 1.00 74.43 C ATOM 1020 CG1 VAL A 67 2.965 -19.685 1.346 1.00 3.33 C ATOM 1021 CG2 VAL A 67 1.218 -17.949 1.763 1.00 1.53 C ATOM 0 H VAL A 67 3.345 -16.237 1.621 1.00 3.44 H new ATOM 0 HA VAL A 67 3.668 -18.059 -0.674 1.00 35.42 H new ATOM 0 HB VAL A 67 1.469 -19.053 -0.038 1.00 74.43 H new ATOM 0 HG11 VAL A 67 2.321 -20.416 1.835 1.00 3.33 H new ATOM 0 HG12 VAL A 67 3.553 -20.179 0.572 1.00 3.33 H new ATOM 0 HG13 VAL A 67 3.635 -19.241 2.082 1.00 3.33 H new ATOM 0 HG21 VAL A 67 0.604 -18.712 2.241 1.00 1.53 H new ATOM 0 HG22 VAL A 67 1.836 -17.458 2.515 1.00 1.53 H new ATOM 0 HG23 VAL A 67 0.573 -17.211 1.285 1.00 1.53 H new ATOM 1031 N SER A 68 1.552 -17.078 -1.879 1.00 22.32 N ATOM 1032 CA SER A 68 0.735 -16.265 -2.774 1.00 33.54 C ATOM 1033 C SER A 68 -0.546 -15.796 -2.089 1.00 55.45 C ATOM 1034 O SER A 68 -1.077 -14.725 -2.394 1.00 10.12 O ATOM 1035 CB SER A 68 0.393 -17.072 -4.029 1.00 52.53 C ATOM 1036 OG SER A 68 1.558 -17.648 -4.597 1.00 4.53 O ATOM 0 H SER A 68 1.648 -18.050 -2.173 1.00 22.32 H new ATOM 0 HA SER A 68 1.308 -15.380 -3.050 1.00 33.54 H new ATOM 0 HB2 SER A 68 -0.320 -17.858 -3.777 1.00 52.53 H new ATOM 0 HB3 SER A 68 -0.091 -16.425 -4.761 1.00 52.53 H new ATOM 0 HG SER A 68 1.496 -17.615 -5.574 1.00 4.53 H new ATOM 1042 N ALA A 69 -1.021 -16.600 -1.155 1.00 75.14 N ATOM 1043 CA ALA A 69 -2.249 -16.302 -0.427 1.00 42.00 C ATOM 1044 C ALA A 69 -2.120 -15.018 0.386 1.00 22.52 C ATOM 1045 O ALA A 69 -3.080 -14.259 0.517 1.00 20.05 O ATOM 1046 CB ALA A 69 -2.621 -17.462 0.483 1.00 4.31 C ATOM 0 H ALA A 69 -0.573 -17.473 -0.878 1.00 75.14 H new ATOM 0 HA ALA A 69 -3.041 -16.156 -1.161 1.00 42.00 H new ATOM 0 HB1 ALA A 69 -3.540 -17.224 1.019 1.00 4.31 H new ATOM 0 HB2 ALA A 69 -2.773 -18.360 -0.116 1.00 4.31 H new ATOM 0 HB3 ALA A 69 -1.818 -17.635 1.199 1.00 4.31 H new ATOM 1052 N GLU A 70 -0.927 -14.774 0.915 1.00 13.44 N ATOM 1053 CA GLU A 70 -0.680 -13.606 1.747 1.00 63.40 C ATOM 1054 C GLU A 70 -0.778 -12.324 0.925 1.00 43.20 C ATOM 1055 O GLU A 70 -1.197 -11.283 1.431 1.00 74.10 O ATOM 1056 CB GLU A 70 0.686 -13.726 2.421 1.00 3.40 C ATOM 1057 CG GLU A 70 0.758 -14.874 3.412 1.00 64.52 C ATOM 1058 CD GLU A 70 2.142 -15.074 3.986 1.00 51.20 C ATOM 1059 OE1 GLU A 70 3.067 -15.374 3.212 1.00 65.13 O ATOM 1060 OE2 GLU A 70 2.311 -14.940 5.215 1.00 10.13 O ATOM 0 H GLU A 70 -0.113 -15.374 0.781 1.00 13.44 H new ATOM 0 HA GLU A 70 -1.445 -13.558 2.522 1.00 63.40 H new ATOM 0 HB2 GLU A 70 1.451 -13.864 1.657 1.00 3.40 H new ATOM 0 HB3 GLU A 70 0.914 -12.793 2.936 1.00 3.40 H new ATOM 0 HG2 GLU A 70 0.057 -14.689 4.226 1.00 64.52 H new ATOM 0 HG3 GLU A 70 0.439 -15.792 2.919 1.00 64.52 H new ATOM 1067 N LYS A 71 -0.407 -12.412 -0.349 1.00 1.11 N ATOM 1068 CA LYS A 71 -0.601 -11.302 -1.279 1.00 14.41 C ATOM 1069 C LYS A 71 -2.072 -10.946 -1.342 1.00 52.43 C ATOM 1070 O LYS A 71 -2.476 -9.809 -1.101 1.00 43.52 O ATOM 1071 CB LYS A 71 -0.149 -11.687 -2.689 1.00 40.01 C ATOM 1072 CG LYS A 71 -0.307 -10.553 -3.695 1.00 2.31 C ATOM 1073 CD LYS A 71 -0.028 -10.991 -5.122 1.00 4.32 C ATOM 1074 CE LYS A 71 1.440 -11.292 -5.345 1.00 24.15 C ATOM 1075 NZ LYS A 71 1.766 -11.384 -6.790 1.00 62.50 N ATOM 0 H LYS A 71 0.028 -13.237 -0.761 1.00 1.11 H new ATOM 0 HA LYS A 71 -0.010 -10.458 -0.924 1.00 14.41 H new ATOM 0 HB2 LYS A 71 0.896 -11.995 -2.658 1.00 40.01 H new ATOM 0 HB3 LYS A 71 -0.725 -12.548 -3.027 1.00 40.01 H new ATOM 0 HG2 LYS A 71 -1.320 -10.156 -3.633 1.00 2.31 H new ATOM 0 HG3 LYS A 71 0.370 -9.741 -3.430 1.00 2.31 H new ATOM 0 HD2 LYS A 71 -0.619 -11.878 -5.352 1.00 4.32 H new ATOM 0 HD3 LYS A 71 -0.347 -10.208 -5.811 1.00 4.32 H new ATOM 0 HE2 LYS A 71 2.046 -10.512 -4.884 1.00 24.15 H new ATOM 0 HE3 LYS A 71 1.699 -12.230 -4.853 1.00 24.15 H new ATOM 0 HZ1 LYS A 71 2.798 -11.421 -6.911 1.00 62.50 H new ATOM 0 HZ2 LYS A 71 1.339 -12.245 -7.188 1.00 62.50 H new ATOM 0 HZ3 LYS A 71 1.389 -10.550 -7.285 1.00 62.50 H new ATOM 1089 N LEU A 72 -2.845 -11.955 -1.688 1.00 63.23 N ATOM 1090 CA LEU A 72 -4.292 -11.837 -1.826 1.00 1.51 C ATOM 1091 C LEU A 72 -4.928 -11.228 -0.581 1.00 31.25 C ATOM 1092 O LEU A 72 -5.687 -10.272 -0.680 1.00 14.45 O ATOM 1093 CB LEU A 72 -4.900 -13.212 -2.098 1.00 52.33 C ATOM 1094 CG LEU A 72 -4.317 -13.946 -3.308 1.00 40.52 C ATOM 1095 CD1 LEU A 72 -4.930 -15.331 -3.436 1.00 52.40 C ATOM 1096 CD2 LEU A 72 -4.539 -13.142 -4.583 1.00 70.51 C ATOM 0 H LEU A 72 -2.489 -12.890 -1.884 1.00 63.23 H new ATOM 0 HA LEU A 72 -4.495 -11.171 -2.665 1.00 1.51 H new ATOM 0 HB2 LEU A 72 -4.764 -13.835 -1.214 1.00 52.33 H new ATOM 0 HB3 LEU A 72 -5.974 -13.096 -2.244 1.00 52.33 H new ATOM 0 HG LEU A 72 -3.243 -14.057 -3.157 1.00 40.52 H new ATOM 0 HD11 LEU A 72 -4.504 -15.839 -4.301 1.00 52.40 H new ATOM 0 HD12 LEU A 72 -4.717 -15.908 -2.536 1.00 52.40 H new ATOM 0 HD13 LEU A 72 -6.009 -15.241 -3.563 1.00 52.40 H new ATOM 0 HD21 LEU A 72 -4.117 -13.681 -5.431 1.00 70.51 H new ATOM 0 HD22 LEU A 72 -5.608 -12.997 -4.740 1.00 70.51 H new ATOM 0 HD23 LEU A 72 -4.051 -12.172 -4.491 1.00 70.51 H new ATOM 1108 N ILE A 73 -4.606 -11.778 0.587 1.00 63.24 N ATOM 1109 CA ILE A 73 -5.170 -11.290 1.847 1.00 52.15 C ATOM 1110 C ILE A 73 -4.858 -9.807 2.053 1.00 70.22 C ATOM 1111 O ILE A 73 -5.734 -9.024 2.420 1.00 74.12 O ATOM 1112 CB ILE A 73 -4.633 -12.097 3.054 1.00 63.24 C ATOM 1113 CG1 ILE A 73 -4.977 -13.581 2.906 1.00 63.42 C ATOM 1114 CG2 ILE A 73 -5.198 -11.553 4.360 1.00 41.10 C ATOM 1115 CD1 ILE A 73 -4.385 -14.458 3.991 1.00 52.52 C ATOM 0 H ILE A 73 -3.959 -12.560 0.689 1.00 63.24 H new ATOM 0 HA ILE A 73 -6.250 -11.423 1.785 1.00 52.15 H new ATOM 0 HB ILE A 73 -3.548 -11.992 3.076 1.00 63.24 H new ATOM 0 HG12 ILE A 73 -6.061 -13.695 2.911 1.00 63.42 H new ATOM 0 HG13 ILE A 73 -4.624 -13.931 1.936 1.00 63.42 H new ATOM 0 HG21 ILE A 73 -4.808 -12.134 5.195 1.00 41.10 H new ATOM 0 HG22 ILE A 73 -4.906 -10.509 4.476 1.00 41.10 H new ATOM 0 HG23 ILE A 73 -6.285 -11.625 4.344 1.00 41.10 H new ATOM 0 HD11 ILE A 73 -4.673 -15.495 3.818 1.00 52.52 H new ATOM 0 HD12 ILE A 73 -3.298 -14.375 3.973 1.00 52.52 H new ATOM 0 HD13 ILE A 73 -4.758 -14.136 4.963 1.00 52.52 H new ATOM 1127 N PHE A 74 -3.612 -9.428 1.800 1.00 22.10 N ATOM 1128 CA PHE A 74 -3.183 -8.044 1.945 1.00 55.20 C ATOM 1129 C PHE A 74 -3.927 -7.142 0.964 1.00 2.11 C ATOM 1130 O PHE A 74 -4.489 -6.115 1.349 1.00 62.33 O ATOM 1131 CB PHE A 74 -1.671 -7.948 1.718 1.00 2.53 C ATOM 1132 CG PHE A 74 -1.111 -6.560 1.850 1.00 3.45 C ATOM 1133 CD1 PHE A 74 -0.903 -5.998 3.099 1.00 55.41 C ATOM 1134 CD2 PHE A 74 -0.786 -5.820 0.725 1.00 50.21 C ATOM 1135 CE1 PHE A 74 -0.384 -4.724 3.221 1.00 30.22 C ATOM 1136 CE2 PHE A 74 -0.265 -4.547 0.842 1.00 23.03 C ATOM 1137 CZ PHE A 74 -0.064 -3.999 2.093 1.00 1.13 C ATOM 0 H PHE A 74 -2.877 -10.064 1.492 1.00 22.10 H new ATOM 0 HA PHE A 74 -3.415 -7.707 2.955 1.00 55.20 H new ATOM 0 HB2 PHE A 74 -1.167 -8.600 2.431 1.00 2.53 H new ATOM 0 HB3 PHE A 74 -1.440 -8.327 0.722 1.00 2.53 H new ATOM 0 HD1 PHE A 74 -1.149 -6.562 3.987 1.00 55.41 H new ATOM 0 HD2 PHE A 74 -0.942 -6.244 -0.256 1.00 50.21 H new ATOM 0 HE1 PHE A 74 -0.229 -4.296 4.200 1.00 30.22 H new ATOM 0 HE2 PHE A 74 -0.015 -3.981 -0.043 1.00 23.03 H new ATOM 0 HZ PHE A 74 0.344 -3.003 2.188 1.00 1.13 H new ATOM 1147 N GLU A 75 -3.945 -7.546 -0.300 1.00 51.12 N ATOM 1148 CA GLU A 75 -4.600 -6.773 -1.344 1.00 10.44 C ATOM 1149 C GLU A 75 -6.117 -6.734 -1.169 1.00 53.14 C ATOM 1150 O GLU A 75 -6.767 -5.775 -1.582 1.00 4.24 O ATOM 1151 CB GLU A 75 -4.214 -7.324 -2.713 1.00 20.24 C ATOM 1152 CG GLU A 75 -2.900 -6.761 -3.219 1.00 4.45 C ATOM 1153 CD GLU A 75 -3.002 -5.281 -3.542 1.00 12.51 C ATOM 1154 OE1 GLU A 75 -2.861 -4.446 -2.621 1.00 62.10 O ATOM 1155 OE2 GLU A 75 -3.254 -4.942 -4.716 1.00 53.10 O ATOM 0 H GLU A 75 -3.511 -8.409 -0.627 1.00 51.12 H new ATOM 0 HA GLU A 75 -4.255 -5.742 -1.266 1.00 10.44 H new ATOM 0 HB2 GLU A 75 -4.142 -8.410 -2.656 1.00 20.24 H new ATOM 0 HB3 GLU A 75 -5.003 -7.094 -3.429 1.00 20.24 H new ATOM 0 HG2 GLU A 75 -2.126 -6.915 -2.467 1.00 4.45 H new ATOM 0 HG3 GLU A 75 -2.591 -7.306 -4.111 1.00 4.45 H new ATOM 1162 N LEU A 76 -6.683 -7.767 -0.558 1.00 44.44 N ATOM 1163 CA LEU A 76 -8.091 -7.776 -0.227 1.00 4.53 C ATOM 1164 C LEU A 76 -8.395 -6.698 0.807 1.00 3.43 C ATOM 1165 O LEU A 76 -9.428 -6.032 0.747 1.00 63.13 O ATOM 1166 CB LEU A 76 -8.478 -9.152 0.303 1.00 32.13 C ATOM 1167 CG LEU A 76 -8.771 -10.210 -0.762 1.00 40.23 C ATOM 1168 CD1 LEU A 76 -9.074 -11.549 -0.109 1.00 62.10 C ATOM 1169 CD2 LEU A 76 -9.929 -9.777 -1.647 1.00 61.53 C ATOM 0 H LEU A 76 -6.180 -8.611 -0.283 1.00 44.44 H new ATOM 0 HA LEU A 76 -8.675 -7.563 -1.122 1.00 4.53 H new ATOM 0 HB2 LEU A 76 -7.672 -9.516 0.940 1.00 32.13 H new ATOM 0 HB3 LEU A 76 -9.360 -9.044 0.935 1.00 32.13 H new ATOM 0 HG LEU A 76 -7.885 -10.320 -1.388 1.00 40.23 H new ATOM 0 HD11 LEU A 76 -9.280 -12.291 -0.880 1.00 62.10 H new ATOM 0 HD12 LEU A 76 -8.215 -11.868 0.482 1.00 62.10 H new ATOM 0 HD13 LEU A 76 -9.944 -11.449 0.540 1.00 62.10 H new ATOM 0 HD21 LEU A 76 -10.120 -10.544 -2.397 1.00 61.53 H new ATOM 0 HD22 LEU A 76 -10.821 -9.636 -1.036 1.00 61.53 H new ATOM 0 HD23 LEU A 76 -9.677 -8.839 -2.143 1.00 61.53 H new ATOM 1181 N LYS A 77 -7.467 -6.512 1.736 1.00 50.33 N ATOM 1182 CA LYS A 77 -7.631 -5.526 2.793 1.00 72.03 C ATOM 1183 C LYS A 77 -7.384 -4.113 2.278 1.00 61.21 C ATOM 1184 O LYS A 77 -8.046 -3.165 2.703 1.00 42.44 O ATOM 1185 CB LYS A 77 -6.692 -5.841 3.957 1.00 22.40 C ATOM 1186 CG LYS A 77 -7.032 -7.146 4.657 1.00 5.11 C ATOM 1187 CD LYS A 77 -6.182 -7.354 5.897 1.00 21.32 C ATOM 1188 CE LYS A 77 -6.545 -8.648 6.606 1.00 32.40 C ATOM 1189 NZ LYS A 77 -7.986 -8.696 6.965 1.00 12.20 N ATOM 0 H LYS A 77 -6.591 -7.033 1.778 1.00 50.33 H new ATOM 0 HA LYS A 77 -8.662 -5.576 3.144 1.00 72.03 H new ATOM 0 HB2 LYS A 77 -5.668 -5.889 3.588 1.00 22.40 H new ATOM 0 HB3 LYS A 77 -6.732 -5.026 4.680 1.00 22.40 H new ATOM 0 HG2 LYS A 77 -8.086 -7.147 4.934 1.00 5.11 H new ATOM 0 HG3 LYS A 77 -6.882 -7.978 3.969 1.00 5.11 H new ATOM 0 HD2 LYS A 77 -5.128 -7.373 5.619 1.00 21.32 H new ATOM 0 HD3 LYS A 77 -6.317 -6.514 6.578 1.00 21.32 H new ATOM 0 HE2 LYS A 77 -6.302 -9.495 5.964 1.00 32.40 H new ATOM 0 HE3 LYS A 77 -5.942 -8.749 7.508 1.00 32.40 H new ATOM 0 HZ1 LYS A 77 -8.146 -9.456 7.657 1.00 12.20 H new ATOM 0 HZ2 LYS A 77 -8.271 -7.785 7.378 1.00 12.20 H new ATOM 0 HZ3 LYS A 77 -8.550 -8.881 6.111 1.00 12.20 H new ATOM 1203 N THR A 78 -6.442 -3.970 1.354 1.00 50.45 N ATOM 1204 CA THR A 78 -6.137 -2.665 0.784 1.00 65.14 C ATOM 1205 C THR A 78 -7.303 -2.167 -0.065 1.00 21.41 C ATOM 1206 O THR A 78 -7.533 -0.960 -0.180 1.00 61.23 O ATOM 1207 CB THR A 78 -4.850 -2.696 -0.063 1.00 22.51 C ATOM 1208 OG1 THR A 78 -4.957 -3.685 -1.092 1.00 20.32 O ATOM 1209 CG2 THR A 78 -3.640 -2.993 0.807 1.00 13.45 C ATOM 0 H THR A 78 -5.879 -4.737 0.986 1.00 50.45 H new ATOM 0 HA THR A 78 -5.976 -1.979 1.615 1.00 65.14 H new ATOM 0 HB THR A 78 -4.721 -1.715 -0.520 1.00 22.51 H new ATOM 0 HG1 THR A 78 -4.096 -3.772 -1.552 1.00 20.32 H new ATOM 0 HG21 THR A 78 -2.743 -3.010 0.189 1.00 13.45 H new ATOM 0 HG22 THR A 78 -3.541 -2.220 1.569 1.00 13.45 H new ATOM 0 HG23 THR A 78 -3.767 -3.963 1.289 1.00 13.45 H new ATOM 1217 N ARG A 79 -8.047 -3.100 -0.647 1.00 4.23 N ATOM 1218 CA ARG A 79 -9.214 -2.773 -1.438 1.00 62.20 C ATOM 1219 C ARG A 79 -10.265 -2.049 -0.603 1.00 43.42 C ATOM 1220 O ARG A 79 -10.793 -1.018 -1.019 1.00 1.14 O ATOM 1221 CB ARG A 79 -9.805 -4.049 -2.028 1.00 21.10 C ATOM 1222 CG ARG A 79 -9.012 -4.615 -3.196 1.00 53.43 C ATOM 1223 CD ARG A 79 -9.096 -3.717 -4.421 1.00 73.41 C ATOM 1224 NE ARG A 79 -10.473 -3.559 -4.890 1.00 54.12 N ATOM 1225 CZ ARG A 79 -10.839 -3.595 -6.171 1.00 34.43 C ATOM 1226 NH1 ARG A 79 -9.935 -3.764 -7.130 1.00 5.33 N ATOM 1227 NH2 ARG A 79 -12.116 -3.457 -6.487 1.00 41.44 N ATOM 0 H ARG A 79 -7.854 -4.099 -0.581 1.00 4.23 H new ATOM 0 HA ARG A 79 -8.907 -2.104 -2.242 1.00 62.20 H new ATOM 0 HB2 ARG A 79 -9.868 -4.804 -1.245 1.00 21.10 H new ATOM 0 HB3 ARG A 79 -10.824 -3.847 -2.358 1.00 21.10 H new ATOM 0 HG2 ARG A 79 -7.969 -4.735 -2.904 1.00 53.43 H new ATOM 0 HG3 ARG A 79 -9.389 -5.607 -3.445 1.00 53.43 H new ATOM 0 HD2 ARG A 79 -8.679 -2.738 -4.183 1.00 73.41 H new ATOM 0 HD3 ARG A 79 -8.486 -4.137 -5.221 1.00 73.41 H new ATOM 0 HE ARG A 79 -11.201 -3.412 -4.191 1.00 54.12 H new ATOM 0 HH11 ARG A 79 -8.949 -3.868 -6.889 1.00 5.33 H new ATOM 0 HH12 ARG A 79 -10.227 -3.790 -8.107 1.00 5.33 H new ATOM 0 HH21 ARG A 79 -12.812 -3.324 -5.753 1.00 41.44 H new ATOM 0 HH22 ARG A 79 -12.405 -3.483 -7.465 1.00 41.44 H new ATOM 1241 N SER A 80 -10.553 -2.579 0.577 1.00 14.54 N ATOM 1242 CA SER A 80 -11.589 -2.032 1.426 1.00 71.23 C ATOM 1243 C SER A 80 -11.103 -0.823 2.224 1.00 74.24 C ATOM 1244 O SER A 80 -11.907 -0.065 2.768 1.00 75.42 O ATOM 1245 CB SER A 80 -12.080 -3.127 2.362 1.00 71.41 C ATOM 1246 OG SER A 80 -12.493 -4.268 1.629 1.00 71.30 O ATOM 0 H SER A 80 -10.077 -3.393 0.966 1.00 14.54 H new ATOM 0 HA SER A 80 -12.405 -1.681 0.795 1.00 71.23 H new ATOM 0 HB2 SER A 80 -11.285 -3.403 3.055 1.00 71.41 H new ATOM 0 HB3 SER A 80 -12.911 -2.754 2.961 1.00 71.41 H new ATOM 0 HG SER A 80 -12.803 -4.961 2.249 1.00 71.30 H new ATOM 1252 N LEU A 81 -9.795 -0.639 2.289 1.00 53.33 N ATOM 1253 CA LEU A 81 -9.224 0.472 3.014 1.00 32.54 C ATOM 1254 C LEU A 81 -9.034 1.675 2.093 1.00 33.03 C ATOM 1255 O LEU A 81 -9.306 2.811 2.472 1.00 32.22 O ATOM 1256 CB LEU A 81 -7.888 0.049 3.621 1.00 64.41 C ATOM 1257 CG LEU A 81 -6.958 1.199 3.975 1.00 34.44 C ATOM 1258 CD1 LEU A 81 -7.516 2.010 5.135 1.00 1.41 C ATOM 1259 CD2 LEU A 81 -5.564 0.689 4.297 1.00 52.12 C ATOM 0 H LEU A 81 -9.110 -1.250 1.845 1.00 53.33 H new ATOM 0 HA LEU A 81 -9.906 0.764 3.813 1.00 32.54 H new ATOM 0 HB2 LEU A 81 -8.082 -0.534 4.521 1.00 64.41 H new ATOM 0 HB3 LEU A 81 -7.378 -0.610 2.919 1.00 64.41 H new ATOM 0 HG LEU A 81 -6.887 1.854 3.106 1.00 34.44 H new ATOM 0 HD11 LEU A 81 -6.833 2.827 5.370 1.00 1.41 H new ATOM 0 HD12 LEU A 81 -8.488 2.418 4.859 1.00 1.41 H new ATOM 0 HD13 LEU A 81 -7.627 1.367 6.008 1.00 1.41 H new ATOM 0 HD21 LEU A 81 -4.918 1.530 4.547 1.00 52.12 H new ATOM 0 HD22 LEU A 81 -5.613 0.005 5.144 1.00 52.12 H new ATOM 0 HD23 LEU A 81 -5.159 0.165 3.431 1.00 52.12 H new ATOM 1271 N ALA A 82 -8.591 1.412 0.874 1.00 63.44 N ATOM 1272 CA ALA A 82 -8.260 2.480 -0.066 1.00 72.11 C ATOM 1273 C ALA A 82 -9.390 2.702 -1.061 1.00 62.33 C ATOM 1274 O ALA A 82 -9.156 2.935 -2.250 1.00 22.00 O ATOM 1275 CB ALA A 82 -6.962 2.160 -0.794 1.00 64.33 C ATOM 0 H ALA A 82 -8.451 0.470 0.509 1.00 63.44 H new ATOM 0 HA ALA A 82 -8.125 3.402 0.500 1.00 72.11 H new ATOM 0 HB1 ALA A 82 -6.728 2.965 -1.491 1.00 64.33 H new ATOM 0 HB2 ALA A 82 -6.154 2.061 -0.070 1.00 64.33 H new ATOM 0 HB3 ALA A 82 -7.074 1.225 -1.343 1.00 64.33 H new ATOM 1281 N ARG A 83 -10.614 2.622 -0.569 1.00 50.44 N ATOM 1282 CA ARG A 83 -11.791 2.888 -1.379 1.00 62.51 C ATOM 1283 C ARG A 83 -12.911 3.410 -0.494 1.00 22.02 C ATOM 1284 O ARG A 83 -13.226 2.806 0.534 1.00 72.05 O ATOM 1285 CB ARG A 83 -12.238 1.631 -2.127 1.00 65.35 C ATOM 1286 CG ARG A 83 -13.460 1.846 -3.005 1.00 55.51 C ATOM 1287 CD ARG A 83 -13.640 0.707 -3.990 1.00 5.12 C ATOM 1288 NE ARG A 83 -12.518 0.621 -4.924 1.00 42.11 N ATOM 1289 CZ ARG A 83 -12.563 -0.031 -6.085 1.00 42.25 C ATOM 1290 NH1 ARG A 83 -13.664 -0.672 -6.450 1.00 5.21 N ATOM 1291 NH2 ARG A 83 -11.500 -0.058 -6.875 1.00 3.53 N ATOM 0 H ARG A 83 -10.820 2.372 0.398 1.00 50.44 H new ATOM 0 HA ARG A 83 -11.540 3.644 -2.123 1.00 62.51 H new ATOM 0 HB2 ARG A 83 -11.415 1.275 -2.746 1.00 65.35 H new ATOM 0 HB3 ARG A 83 -12.455 0.846 -1.403 1.00 65.35 H new ATOM 0 HG2 ARG A 83 -14.349 1.932 -2.380 1.00 55.51 H new ATOM 0 HG3 ARG A 83 -13.359 2.786 -3.548 1.00 55.51 H new ATOM 0 HD2 ARG A 83 -13.735 -0.233 -3.447 1.00 5.12 H new ATOM 0 HD3 ARG A 83 -14.567 0.849 -4.546 1.00 5.12 H new ATOM 0 HE ARG A 83 -11.648 1.089 -4.671 1.00 42.11 H new ATOM 0 HH11 ARG A 83 -14.482 -0.668 -5.841 1.00 5.21 H new ATOM 0 HH12 ARG A 83 -13.693 -1.170 -7.340 1.00 5.21 H new ATOM 0 HH21 ARG A 83 -10.644 0.421 -6.595 1.00 3.53 H new ATOM 0 HH22 ARG A 83 -11.537 -0.558 -7.763 1.00 3.53 H new ATOM 1305 N LEU A 84 -13.500 4.533 -0.903 1.00 41.25 N ATOM 1306 CA LEU A 84 -14.524 5.207 -0.128 1.00 34.52 C ATOM 1307 C LEU A 84 -14.026 5.499 1.282 1.00 70.45 C ATOM 1308 O LEU A 84 -14.692 5.200 2.275 1.00 14.33 O ATOM 1309 CB LEU A 84 -15.798 4.378 -0.094 1.00 63.21 C ATOM 1310 CG LEU A 84 -16.396 4.034 -1.462 1.00 72.01 C ATOM 1311 CD1 LEU A 84 -17.660 3.202 -1.297 1.00 61.52 C ATOM 1312 CD2 LEU A 84 -16.687 5.304 -2.253 1.00 70.12 C ATOM 0 H LEU A 84 -13.276 4.997 -1.783 1.00 41.25 H new ATOM 0 HA LEU A 84 -14.751 6.159 -0.609 1.00 34.52 H new ATOM 0 HB2 LEU A 84 -15.592 3.449 0.438 1.00 63.21 H new ATOM 0 HB3 LEU A 84 -16.547 4.918 0.485 1.00 63.21 H new ATOM 0 HG LEU A 84 -15.668 3.444 -2.019 1.00 72.01 H new ATOM 0 HD11 LEU A 84 -18.071 2.967 -2.279 1.00 61.52 H new ATOM 0 HD12 LEU A 84 -17.421 2.277 -0.773 1.00 61.52 H new ATOM 0 HD13 LEU A 84 -18.394 3.766 -0.722 1.00 61.52 H new ATOM 0 HD21 LEU A 84 -17.111 5.040 -3.222 1.00 70.12 H new ATOM 0 HD22 LEU A 84 -17.397 5.921 -1.702 1.00 70.12 H new ATOM 0 HD23 LEU A 84 -15.761 5.860 -2.402 1.00 70.12 H new ATOM 1324 N GLU A 85 -12.841 6.083 1.344 1.00 3.31 N ATOM 1325 CA GLU A 85 -12.207 6.452 2.602 1.00 32.44 C ATOM 1326 C GLU A 85 -13.029 7.530 3.310 1.00 50.24 C ATOM 1327 O GLU A 85 -14.010 8.028 2.753 1.00 50.23 O ATOM 1328 CB GLU A 85 -10.782 6.973 2.347 1.00 13.13 C ATOM 1329 CG GLU A 85 -9.968 6.132 1.368 1.00 25.25 C ATOM 1330 CD GLU A 85 -10.097 6.596 -0.077 1.00 74.14 C ATOM 1331 OE1 GLU A 85 -11.183 6.429 -0.671 1.00 3.02 O ATOM 1332 OE2 GLU A 85 -9.115 7.140 -0.624 1.00 13.21 O ATOM 0 H GLU A 85 -12.288 6.316 0.520 1.00 3.31 H new ATOM 0 HA GLU A 85 -12.155 5.567 3.237 1.00 32.44 H new ATOM 0 HB2 GLU A 85 -10.844 7.993 1.967 1.00 13.13 H new ATOM 0 HB3 GLU A 85 -10.250 7.019 3.297 1.00 13.13 H new ATOM 0 HG2 GLU A 85 -8.918 6.162 1.660 1.00 25.25 H new ATOM 0 HG3 GLU A 85 -10.289 5.093 1.439 1.00 25.25 H new ATOM 1339 N HIS A 86 -12.629 7.899 4.525 1.00 64.22 N ATOM 1340 CA HIS A 86 -13.338 8.936 5.279 1.00 75.11 C ATOM 1341 C HIS A 86 -13.364 10.253 4.510 1.00 71.32 C ATOM 1342 O HIS A 86 -14.390 10.635 3.947 1.00 54.14 O ATOM 1343 CB HIS A 86 -12.707 9.149 6.657 1.00 52.31 C ATOM 1344 CG HIS A 86 -13.273 8.273 7.731 1.00 3.15 C ATOM 1345 ND1 HIS A 86 -12.952 8.421 9.062 1.00 33.35 N ATOM 1346 CD2 HIS A 86 -14.153 7.244 7.672 1.00 71.03 C ATOM 1347 CE1 HIS A 86 -13.608 7.524 9.773 1.00 12.41 C ATOM 1348 NE2 HIS A 86 -14.343 6.797 8.955 1.00 44.35 N ATOM 0 H HIS A 86 -11.824 7.500 5.008 1.00 64.22 H new ATOM 0 HA HIS A 86 -14.363 8.592 5.417 1.00 75.11 H new ATOM 0 HB2 HIS A 86 -11.634 8.970 6.585 1.00 52.31 H new ATOM 0 HB3 HIS A 86 -12.837 10.192 6.947 1.00 52.31 H new ATOM 0 HD2 HIS A 86 -14.618 6.849 6.781 1.00 71.03 H new ATOM 0 HE1 HIS A 86 -13.552 7.405 10.845 1.00 12.41 H new ATOM 0 HE2 HIS A 86 -14.953 6.028 9.231 1.00 44.35 H new ATOM 1357 N HIS A 87 -12.239 10.954 4.488 1.00 43.34 N ATOM 1358 CA HIS A 87 -12.136 12.172 3.704 1.00 45.30 C ATOM 1359 C HIS A 87 -10.795 12.259 2.997 1.00 23.55 C ATOM 1360 O HIS A 87 -9.903 13.004 3.395 1.00 62.20 O ATOM 1361 CB HIS A 87 -12.390 13.419 4.552 1.00 35.22 C ATOM 1362 CG HIS A 87 -13.846 13.664 4.811 1.00 33.32 C ATOM 1363 ND1 HIS A 87 -14.780 13.762 3.801 1.00 63.14 N ATOM 1364 CD2 HIS A 87 -14.531 13.813 5.969 1.00 72.12 C ATOM 1365 CE1 HIS A 87 -15.972 13.964 4.329 1.00 43.33 C ATOM 1366 NE2 HIS A 87 -15.853 13.997 5.641 1.00 33.02 N ATOM 0 H HIS A 87 -11.393 10.702 5.000 1.00 43.34 H new ATOM 0 HA HIS A 87 -12.917 12.131 2.944 1.00 45.30 H new ATOM 0 HB2 HIS A 87 -11.869 13.316 5.504 1.00 35.22 H new ATOM 0 HB3 HIS A 87 -11.965 14.287 4.048 1.00 35.22 H new ATOM 0 HD2 HIS A 87 -14.116 13.791 6.966 1.00 72.12 H new ATOM 0 HE1 HIS A 87 -16.893 14.083 3.777 1.00 43.33 H new ATOM 0 HE2 HIS A 87 -16.616 14.136 6.304 1.00 33.02 H new ATOM 1375 N HIS A 88 -10.674 11.469 1.945 1.00 12.12 N ATOM 1376 CA HIS A 88 -9.498 11.474 1.089 1.00 24.25 C ATOM 1377 C HIS A 88 -9.808 12.287 -0.161 1.00 51.43 C ATOM 1378 O HIS A 88 -9.132 12.166 -1.180 1.00 24.40 O ATOM 1379 CB HIS A 88 -9.139 10.039 0.700 1.00 22.15 C ATOM 1380 CG HIS A 88 -7.714 9.646 0.959 1.00 34.40 C ATOM 1381 ND1 HIS A 88 -6.756 9.573 -0.030 1.00 22.01 N ATOM 1382 CD2 HIS A 88 -7.099 9.257 2.101 1.00 3.14 C ATOM 1383 CE1 HIS A 88 -5.617 9.157 0.492 1.00 62.01 C ATOM 1384 NE2 HIS A 88 -5.797 8.953 1.786 1.00 75.41 N ATOM 0 H HIS A 88 -11.391 10.803 1.658 1.00 12.12 H new ATOM 0 HA HIS A 88 -8.654 11.917 1.617 1.00 24.25 H new ATOM 0 HB2 HIS A 88 -9.792 9.357 1.245 1.00 22.15 H new ATOM 0 HB3 HIS A 88 -9.350 9.903 -0.361 1.00 22.15 H new ATOM 0 HD1 HIS A 88 -6.904 9.804 -1.012 1.00 22.01 H new ATOM 0 HD2 HIS A 88 -7.550 9.197 3.081 1.00 3.14 H new ATOM 0 HE1 HIS A 88 -4.693 9.008 -0.047 1.00 62.01 H new ATOM 0 HE2 HIS A 88 -5.087 8.625 2.441 1.00 75.41 H new ATOM 1393 N HIS A 89 -10.849 13.115 -0.045 1.00 51.14 N ATOM 1394 CA HIS A 89 -11.415 13.874 -1.166 1.00 15.42 C ATOM 1395 C HIS A 89 -10.371 14.645 -1.973 1.00 13.44 C ATOM 1396 O HIS A 89 -9.997 15.758 -1.618 1.00 5.33 O ATOM 1397 CB HIS A 89 -12.525 14.827 -0.687 1.00 51.21 C ATOM 1398 CG HIS A 89 -12.217 15.601 0.569 1.00 12.32 C ATOM 1399 ND1 HIS A 89 -11.058 16.118 1.048 1.00 35.30 N flip ATOM 1400 CD2 HIS A 89 -13.184 15.927 1.494 1.00 11.05 C flip ATOM 1401 CE1 HIS A 89 -11.349 16.737 2.237 1.00 54.14 C flip ATOM 1402 NE2 HIS A 89 -12.637 16.608 2.483 1.00 52.42 N flip ATOM 0 H HIS A 89 -11.329 13.280 0.840 1.00 51.14 H new ATOM 0 HA HIS A 89 -11.842 13.129 -1.838 1.00 15.42 H new ATOM 0 HB2 HIS A 89 -12.741 15.536 -1.486 1.00 51.21 H new ATOM 0 HB3 HIS A 89 -13.432 14.246 -0.522 1.00 51.21 H new ATOM 0 HD1 HIS A 89 -10.141 16.058 0.606 1.00 35.30 H new ATOM 0 HD2 HIS A 89 -14.229 15.665 1.421 1.00 11.05 H new ATOM 0 HE1 HIS A 89 -10.638 17.247 2.869 1.00 54.14 H new ATOM 1411 N HIS A 90 -9.928 14.001 -3.050 1.00 61.00 N ATOM 1412 CA HIS A 90 -9.010 14.555 -4.050 1.00 54.14 C ATOM 1413 C HIS A 90 -8.376 13.402 -4.807 1.00 12.31 C ATOM 1414 O HIS A 90 -8.596 13.231 -6.003 1.00 41.41 O ATOM 1415 CB HIS A 90 -7.902 15.433 -3.450 1.00 51.41 C ATOM 1416 CG HIS A 90 -8.095 16.900 -3.710 1.00 71.44 C ATOM 1417 ND1 HIS A 90 -7.927 17.472 -4.950 1.00 70.44 N ATOM 1418 CD2 HIS A 90 -8.464 17.907 -2.884 1.00 43.52 C ATOM 1419 CE1 HIS A 90 -8.181 18.766 -4.875 1.00 54.25 C ATOM 1420 NE2 HIS A 90 -8.512 19.056 -3.631 1.00 72.20 N ATOM 0 H HIS A 90 -10.207 13.043 -3.261 1.00 61.00 H new ATOM 0 HA HIS A 90 -9.595 15.200 -4.705 1.00 54.14 H new ATOM 0 HB2 HIS A 90 -7.859 15.265 -2.374 1.00 51.41 H new ATOM 0 HB3 HIS A 90 -6.941 15.123 -3.860 1.00 51.41 H new ATOM 0 HD2 HIS A 90 -8.681 17.821 -1.829 1.00 43.52 H new ATOM 0 HE1 HIS A 90 -8.127 19.468 -5.694 1.00 54.25 H new ATOM 0 HE2 HIS A 90 -8.762 19.981 -3.283 1.00 72.20 H new ATOM 1429 N HIS A 91 -7.595 12.604 -4.086 1.00 54.31 N ATOM 1430 CA HIS A 91 -6.982 11.401 -4.635 1.00 1.25 C ATOM 1431 C HIS A 91 -6.353 10.584 -3.508 1.00 63.24 C ATOM 1432 O HIS A 91 -5.125 10.403 -3.503 1.00 38.86 O ATOM 1433 CB HIS A 91 -5.948 11.737 -5.733 1.00 42.03 C ATOM 1434 CG HIS A 91 -4.802 12.611 -5.304 1.00 14.21 C ATOM 1435 ND1 HIS A 91 -3.508 12.403 -5.728 1.00 64.44 N ATOM 1436 CD2 HIS A 91 -4.762 13.713 -4.519 1.00 75.00 C ATOM 1437 CE1 HIS A 91 -2.725 13.336 -5.223 1.00 31.10 C ATOM 1438 NE2 HIS A 91 -3.459 14.149 -4.486 1.00 2.10 N ATOM 1439 OXT HIS A 91 -7.103 10.151 -2.605 1.00 38.86 O ATOM 0 H HIS A 91 -7.370 12.773 -3.106 1.00 54.31 H new ATOM 0 HA HIS A 91 -7.759 10.803 -5.110 1.00 1.25 H new ATOM 0 HB2 HIS A 91 -5.543 10.803 -6.123 1.00 42.03 H new ATOM 0 HB3 HIS A 91 -6.467 12.228 -6.557 1.00 42.03 H new ATOM 0 HD2 HIS A 91 -5.600 14.167 -4.011 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -1.661 13.421 -5.385 1.00 31.10 H new ATOM 0 HE2 HIS A 91 -3.117 14.964 -3.977 1.00 2.10 H new TER 1448 HIS A 91